data_16556_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16556
_Entry.PDB_ID 2KPI
_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 20
_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 3 . 1 1 1 A 2 2 PRO HA H 2 4.460 4.539 -0.079 1
1 10 . 1 1 1 A 2 2 PRO C C 2 176.800 177.068 -0.268 1
1 11 . 1 1 1 A 2 2 PRO CA C 2 63.100 62.775 0.325 1
1 12 . 1 1 1 A 2 2 PRO CB C 2 32.100 31.795 0.305 1
1 15 . 1 1 1 A 3 3 LEU H H 3 8.520 8.312 0.208 1
1 16 . 1 1 1 A 3 3 LEU HA H 3 4.260 4.436 -0.176 1
1 26 . 1 1 1 A 3 3 LEU C C 3 177.700 177.244 0.456 1
1 27 . 1 1 1 A 3 3 LEU CA C 3 55.400 54.660 0.740 1
1 28 . 1 1 1 A 3 3 LEU CB C 3 42.500 42.699 -0.199 1
1 32 . 1 1 1 A 3 3 LEU N N 3 122.400 123.758 -1.358 1
1 33 . 1 1 1 A 4 4 GLU H H 4 8.430 8.589 -0.159 1
1 34 . 1 1 1 A 4 4 GLU HA H 4 4.200 4.244 -0.044 1
1 39 . 1 1 1 A 4 4 GLU C C 4 176.400 175.726 0.674 1
1 40 . 1 1 1 A 4 4 GLU CA C 4 56.600 56.988 -0.388 1
1 41 . 1 1 1 A 4 4 GLU CB C 4 30.200 30.157 0.043 1
1 43 . 1 1 1 A 4 4 GLU N N 4 122.100 122.330 -0.230 1
1 44 . 1 1 1 A 5 5 ALA H H 5 8.420 8.601 -0.181 1
1 45 . 1 1 1 A 5 5 ALA HA H 5 4.210 4.320 -0.110 1
1 49 . 1 1 1 A 5 5 ALA C C 5 178.700 178.303 0.397 1
1 50 . 1 1 1 A 5 5 ALA CA C 5 53.500 52.984 0.516 1
1 51 . 1 1 1 A 5 5 ALA CB C 5 19.000 20.636 -1.636 1
1 52 . 1 1 1 A 5 5 ALA N N 5 125.900 122.696 3.204 1
1 53 . 1 1 1 A 6 6 GLY H H 6 8.530 8.027 0.503 1
1 54 . 1 1 1 A 6 6 GLY HA2 H 6 3.910 3.890 0.020 1
1 55 . 1 1 1 A 6 6 GLY HA3 H 6 3.950 3.894 0.056 1
1 56 . 1 1 1 A 6 6 GLY C C 6 174.700 174.219 0.481 1
1 57 . 1 1 1 A 6 6 GLY CA C 6 45.600 46.877 -1.277 1
1 58 . 1 1 1 A 6 6 GLY N N 6 108.100 106.387 1.713 1
1 59 . 1 1 1 A 7 7 LEU H H 7 7.850 8.279 -0.429 1
1 60 . 1 1 1 A 7 7 LEU HA H 7 4.300 4.116 0.184 1
1 70 . 1 1 1 A 7 7 LEU C C 7 177.700 177.035 0.665 1
1 71 . 1 1 1 A 7 7 LEU CA C 7 55.800 55.616 0.184 1
1 72 . 1 1 1 A 7 7 LEU CB C 7 42.500 40.963 1.537 1
1 76 . 1 1 1 A 7 7 LEU N N 7 121.300 112.532 8.768 1
1 77 . 1 1 1 A 8 8 LEU H H 8 8.190 8.276 -0.086 1
1 78 . 1 1 1 A 8 8 LEU HA H 8 4.160 4.182 -0.022 1
1 88 . 1 1 1 A 8 8 LEU C C 8 177.700 177.229 0.471 1
1 89 . 1 1 1 A 8 8 LEU CA C 8 56.100 57.080 -0.980 1
1 90 . 1 1 1 A 8 8 LEU CB C 8 42.100 41.930 0.170 1
1 94 . 1 1 1 A 8 8 LEU N N 8 120.600 123.498 -2.898 1
1 95 . 1 1 1 A 9 9 GLU H H 9 8.150 7.789 0.361 1
1 96 . 1 1 1 A 9 9 GLU HA H 9 4.240 4.318 -0.078 1
1 101 . 1 1 1 A 9 9 GLU C C 9 176.400 176.398 0.002 1
1 102 . 1 1 1 A 9 9 GLU CA C 9 57.000 56.956 0.044 1
1 103 . 1 1 1 A 9 9 GLU CB C 9 30.200 30.040 0.160 1
1 105 . 1 1 1 A 9 9 GLU N N 9 118.800 116.998 1.802 1
1 106 . 1 1 1 A 10 10 ILE H H 10 7.860 7.214 0.646 1
1 107 . 1 1 1 A 10 10 ILE HA H 10 4.280 4.104 0.176 1
1 117 . 1 1 1 A 10 10 ILE C C 10 176.100 174.967 1.133 1
1 118 . 1 1 1 A 10 10 ILE CA C 10 60.800 61.886 -1.086 1
1 119 . 1 1 1 A 10 10 ILE CB C 10 38.900 38.941 -0.041 1
1 123 . 1 1 1 A 10 10 ILE N N 10 118.600 123.034 -4.434 1
1 124 . 1 1 1 A 11 11 LEU H H 11 8.250 8.493 -0.243 1
1 125 . 1 1 1 A 11 11 LEU HA H 11 4.380 4.748 -0.368 1
1 135 . 1 1 1 A 11 11 LEU C C 11 175.200 176.187 -0.987 1
1 136 . 1 1 1 A 11 11 LEU CA C 11 54.400 53.831 0.569 1
1 137 . 1 1 1 A 11 11 LEU CB C 11 43.400 42.799 0.601 1
1 141 . 1 1 1 A 11 11 LEU N N 11 125.900 124.907 0.993 1
1 142 . 1 1 1 A 12 12 ALA H H 12 7.920 8.508 -0.588 1
1 143 . 1 1 1 A 12 12 ALA HA H 12 4.620 4.650 -0.030 1
1 147 . 1 1 1 A 12 12 ALA C C 12 175.700 175.855 -0.155 1
1 148 . 1 1 1 A 12 12 ALA CA C 12 50.100 51.224 -1.124 1
1 149 . 1 1 1 A 12 12 ALA CB C 12 22.000 22.687 -0.687 1
1 150 . 1 1 1 A 12 12 ALA N N 12 123.700 123.398 0.302 1
1 151 . 1 1 1 A 13 13 CYS H H 13 9.310 8.118 1.192 1
1 152 . 1 1 1 A 13 13 CYS HA H 13 4.130 4.391 -0.261 1
1 155 . 1 1 1 A 13 13 CYS CA C 13 56.900 58.484 -1.584 1
1 156 . 1 1 1 A 13 13 CYS CB C 13 31.600 27.141 4.459 1
1 157 . 1 1 1 A 13 13 CYS N N 13 124.400 121.517 2.883 1
1 158 . 1 1 1 A 14 14 PRO HA H 14 4.340 4.315 0.025 1
1 165 . 1 1 1 A 14 14 PRO C C 14 176.300 177.939 -1.639 1
1 166 . 1 1 1 A 14 14 PRO CA C 14 64.200 65.912 -1.712 1
1 167 . 1 1 1 A 14 14 PRO CB C 14 31.800 31.453 0.347 1
1 170 . 1 1 1 A 15 15 ALA H H 15 8.690 8.104 0.586 1
1 171 . 1 1 1 A 15 15 ALA HA H 15 4.340 4.498 -0.158 1
1 175 . 1 1 1 A 15 15 ALA C C 15 178.300 178.644 -0.344 1
1 176 . 1 1 1 A 15 15 ALA CA C 15 54.300 53.563 0.737 1
1 177 . 1 1 1 A 15 15 ALA CB C 15 20.100 20.586 -0.486 1
1 178 . 1 1 1 A 15 15 ALA N N 15 123.400 117.253 6.147 1
1 179 . 1 1 1 A 16 16 CYS H H 16 8.290 7.759 0.531 1
1 180 . 1 1 1 A 16 16 CYS HA H 16 4.860 4.464 0.396 1
1 183 . 1 1 1 A 16 16 CYS C C 16 176.700 174.544 2.156 1
1 184 . 1 1 1 A 16 16 CYS CA C 16 58.800 58.891 -0.091 1
1 185 . 1 1 1 A 16 16 CYS CB C 16 32.600 26.738 5.862 1
1 186 . 1 1 1 A 16 16 CYS N N 16 117.000 114.205 2.795 1
1 187 . 1 1 1 A 17 17 HIS H H 17 8.300 8.775 -0.475 1
1 188 . 1 1 1 A 17 17 HIS HA H 17 4.440 4.399 0.041 1
1 193 . 1 1 1 A 17 17 HIS C C 17 173.000 174.335 -1.335 1
1 194 . 1 1 1 A 17 17 HIS CA C 17 57.700 57.788 -0.088 1
1 195 . 1 1 1 A 17 17 HIS CB C 17 26.500 29.949 -3.449 1
1 198 . 1 1 1 A 17 17 HIS N N 17 117.800 122.234 -4.434 1
1 199 . 1 1 1 A 18 18 ALA H H 18 9.080 8.102 0.978 1
1 200 . 1 1 1 A 18 18 ALA HA H 18 4.640 4.622 0.018 1
1 204 . 1 1 1 A 18 18 ALA CA C 18 52.100 50.649 1.451 1
1 205 . 1 1 1 A 18 18 ALA CB C 18 19.000 22.072 -3.072 1
1 206 . 1 1 1 A 18 18 ALA N N 18 127.600 128.118 -0.518 1
1 207 . 1 1 1 A 19 19 PRO HA H 19 4.540 4.412 0.128 1
1 214 . 1 1 1 A 19 19 PRO C C 19 177.000 175.879 1.121 1
1 215 . 1 1 1 A 19 19 PRO CA C 19 63.300 62.833 0.467 1
1 216 . 1 1 1 A 19 19 PRO CB C 19 32.500 32.293 0.207 1
1 219 . 1 1 1 A 20 20 LEU H H 20 8.450 8.413 0.037 1
1 220 . 1 1 1 A 20 20 LEU HA H 20 5.050 5.075 -0.025 1
1 230 . 1 1 1 A 20 20 LEU C C 20 176.700 175.099 1.601 1
1 231 . 1 1 1 A 20 20 LEU CA C 20 53.300 53.014 0.286 1
1 232 . 1 1 1 A 20 20 LEU CB C 20 44.800 45.343 -0.543 1
1 236 . 1 1 1 A 20 20 LEU N N 20 121.400 121.684 -0.284 1
1 237 . 1 1 1 A 21 21 GLU H H 21 9.030 9.328 -0.298 1
1 238 . 1 1 1 A 21 21 GLU HA H 21 4.660 5.107 -0.447 1
1 243 . 1 1 1 A 21 21 GLU C C 21 175.100 175.770 -0.670 1
1 244 . 1 1 1 A 21 21 GLU CA C 21 54.100 54.451 -0.351 1
1 245 . 1 1 1 A 21 21 GLU CB C 21 33.000 32.725 0.275 1
1 247 . 1 1 1 A 21 21 GLU N N 21 120.700 122.888 -2.188 1
1 248 . 1 1 1 A 22 22 GLU H H 22 8.950 8.770 0.180 1
1 249 . 1 1 1 A 22 22 GLU HA H 22 4.630 4.545 0.085 1
1 254 . 1 1 1 A 22 22 GLU C C 22 176.000 175.575 0.425 1
1 255 . 1 1 1 A 22 22 GLU CA C 22 56.800 56.322 0.478 1
1 256 . 1 1 1 A 22 22 GLU CB C 22 30.200 30.147 0.053 1
1 258 . 1 1 1 A 22 22 GLU N N 22 125.900 124.898 1.002 1
1 259 . 1 1 1 A 23 23 ARG H H 23 8.830 9.098 -0.268 1
1 260 . 1 1 1 A 23 23 ARG HA H 23 4.500 4.552 -0.052 1
1 267 . 1 1 1 A 23 23 ARG C C 23 175.000 175.151 -0.151 1
1 268 . 1 1 1 A 23 23 ARG CA C 23 55.600 55.634 -0.034 1
1 269 . 1 1 1 A 23 23 ARG CB C 23 32.100 32.239 -0.139 1
1 272 . 1 1 1 A 23 23 ARG N N 23 128.000 124.394 3.606 1
1 273 . 1 1 1 A 24 24 ASP H H 24 9.150 9.085 0.065 1
1 274 . 1 1 1 A 24 24 ASP HA H 24 4.180 4.246 -0.066 1
1 277 . 1 1 1 A 24 24 ASP C C 24 174.900 175.679 -0.779 1
1 278 . 1 1 1 A 24 24 ASP CA C 24 56.600 56.491 0.109 1
1 279 . 1 1 1 A 24 24 ASP CB C 24 39.600 39.630 -0.030 1
1 280 . 1 1 1 A 24 24 ASP N N 24 126.000 125.837 0.163 1
1 281 . 1 1 1 A 25 25 ALA H H 25 8.480 8.392 0.088 1
1 282 . 1 1 1 A 25 25 ALA HA H 25 4.370 4.495 -0.125 1
1 286 . 1 1 1 A 25 25 ALA C C 25 175.700 175.931 -0.231 1
1 287 . 1 1 1 A 25 25 ALA CA C 25 52.600 51.461 1.139 1
1 288 . 1 1 1 A 25 25 ALA CB C 25 18.100 19.137 -1.037 1
1 289 . 1 1 1 A 25 25 ALA N N 25 122.800 125.406 -2.606 1
1 290 . 1 1 1 A 26 26 GLU H H 26 7.770 8.246 -0.476 1
1 291 . 1 1 1 A 26 26 GLU HA H 26 5.100 4.886 0.214 1
1 296 . 1 1 1 A 26 26 GLU C C 26 174.600 174.719 -0.119 1
1 297 . 1 1 1 A 26 26 GLU CA C 26 54.700 54.872 -0.172 1
1 298 . 1 1 1 A 26 26 GLU CB C 26 35.100 34.791 0.309 1
1 300 . 1 1 1 A 26 26 GLU N N 26 116.600 116.192 0.408 1
1 301 . 1 1 1 A 27 27 LEU H H 27 9.190 9.450 -0.260 1
1 302 . 1 1 1 A 27 27 LEU HA H 27 5.010 5.266 -0.256 1
1 312 . 1 1 1 A 27 27 LEU C C 27 175.500 175.811 -0.311 1
1 313 . 1 1 1 A 27 27 LEU CA C 27 53.200 53.506 -0.306 1
1 314 . 1 1 1 A 27 27 LEU CB C 27 44.400 44.351 0.049 1
1 318 . 1 1 1 A 27 27 LEU N N 27 120.900 122.213 -1.313 1
1 319 . 1 1 1 A 28 28 ILE H H 28 9.480 9.794 -0.314 1
1 320 . 1 1 1 A 28 28 ILE HA H 28 4.770 4.648 0.122 1
1 330 . 1 1 1 A 28 28 ILE C C 28 175.300 175.046 0.254 1
1 331 . 1 1 1 A 28 28 ILE CA C 28 60.000 59.877 0.123 1
1 332 . 1 1 1 A 28 28 ILE CB C 28 39.700 40.468 -0.768 1
1 336 . 1 1 1 A 28 28 ILE N N 28 123.300 123.414 -0.114 1
1 337 . 1 1 1 A 29 29 CYS H H 29 9.160 9.329 -0.169 1
1 338 . 1 1 1 A 29 29 CYS HA H 29 4.250 4.898 -0.648 1
1 341 . 1 1 1 A 29 29 CYS C C 29 176.700 174.909 1.791 1
1 342 . 1 1 1 A 29 29 CYS CA C 29 62.000 58.791 3.209 1
1 343 . 1 1 1 A 29 29 CYS CB C 29 30.400 27.250 3.150 1
1 344 . 1 1 1 A 29 29 CYS N N 29 130.800 126.159 4.641 1
1 345 . 1 1 1 A 30 30 THR H H 30 7.840 9.055 -1.215 1
1 346 . 1 1 1 A 30 30 THR HA H 30 4.280 5.187 -0.907 1
1 351 . 1 1 1 A 30 30 THR C C 30 175.300 173.494 1.806 1
1 352 . 1 1 1 A 30 30 THR CA C 30 62.400 59.636 2.764 1
1 353 . 1 1 1 A 30 30 THR CB C 30 70.500 71.483 -0.983 1
1 355 . 1 1 1 A 30 30 THR N N 30 118.800 115.455 3.345 1
1 356 . 1 1 1 A 31 31 GLY H H 31 10.310 8.473 1.837 1
1 357 . 1 1 1 A 31 31 GLY HA2 H 31 3.710 4.247 -0.537 1
1 358 . 1 1 1 A 31 31 GLY HA3 H 31 3.960 4.249 -0.289 1
1 359 . 1 1 1 A 31 31 GLY C C 31 175.900 173.924 1.976 1
1 360 . 1 1 1 A 31 31 GLY CA C 31 45.300 45.567 -0.267 1
1 361 . 1 1 1 A 31 31 GLY N N 31 120.100 108.738 11.362 1
1 362 . 1 1 1 A 32 32 GLN H H 32 8.940 8.804 0.136 1
1 363 . 1 1 1 A 32 32 GLN HA H 32 3.990 4.044 -0.054 1
1 370 . 1 1 1 A 32 32 GLN C C 32 176.400 177.135 -0.735 1
1 371 . 1 1 1 A 32 32 GLN CA C 32 58.200 59.053 -0.853 1
1 372 . 1 1 1 A 32 32 GLN CB C 32 28.800 29.091 -0.291 1
1 375 . 1 1 1 A 32 32 GLN N N 32 127.200 119.800 7.400 1
1 377 . 1 1 1 A 33 33 ASP H H 33 8.560 7.643 0.917 1
1 378 . 1 1 1 A 33 33 ASP HA H 33 4.610 4.745 -0.135 1
1 381 . 1 1 1 A 33 33 ASP C C 33 174.500 176.170 -1.670 1
1 382 . 1 1 1 A 33 33 ASP CA C 33 54.000 54.258 -0.258 1
1 383 . 1 1 1 A 33 33 ASP CB C 33 40.400 41.728 -1.328 1
1 384 . 1 1 1 A 33 33 ASP N N 33 117.200 116.126 1.074 1
1 385 . 1 1 1 A 34 34 CYS H H 34 7.330 7.609 -0.279 1
1 386 . 1 1 1 A 34 34 CYS HA H 34 4.480 4.505 -0.025 1
1 389 . 1 1 1 A 34 34 CYS C C 34 175.500 175.757 -0.257 1
1 390 . 1 1 1 A 34 34 CYS CA C 34 60.100 59.674 0.426 1
1 391 . 1 1 1 A 34 34 CYS CB C 34 31.200 29.198 2.002 1
1 392 . 1 1 1 A 34 34 CYS N N 34 123.800 118.464 5.336 1
1 393 . 1 1 1 A 35 35 GLY H H 35 8.020 8.850 -0.830 1
1 394 . 1 1 1 A 35 35 GLY HA2 H 35 3.940 4.003 -0.063 1
1 395 . 1 1 1 A 35 35 GLY HA3 H 35 4.240 4.010 0.230 1
1 396 . 1 1 1 A 35 35 GLY C C 35 173.900 175.055 -1.155 1
1 397 . 1 1 1 A 35 35 GLY CA C 35 46.900 45.278 1.622 1
1 398 . 1 1 1 A 35 35 GLY N N 35 108.700 112.279 -3.579 1
1 399 . 1 1 1 A 36 36 LEU H H 36 7.430 7.974 -0.544 1
1 400 . 1 1 1 A 36 36 LEU HA H 36 3.930 4.386 -0.456 1
1 410 . 1 1 1 A 36 36 LEU C C 36 173.800 175.666 -1.866 1
1 411 . 1 1 1 A 36 36 LEU CA C 36 56.400 54.775 1.625 1
1 412 . 1 1 1 A 36 36 LEU CB C 36 43.300 42.430 0.870 1
1 416 . 1 1 1 A 36 36 LEU N N 36 121.100 122.634 -1.534 1
1 417 . 1 1 1 A 37 37 ALA H H 37 7.990 8.565 -0.575 1
1 418 . 1 1 1 A 37 37 ALA HA H 37 5.240 5.391 -0.151 1
1 422 . 1 1 1 A 37 37 ALA C C 37 176.700 174.793 1.907 1
1 423 . 1 1 1 A 37 37 ALA CA C 37 49.800 50.138 -0.338 1
1 424 . 1 1 1 A 37 37 ALA CB C 37 22.200 22.299 -0.099 1
1 425 . 1 1 1 A 37 37 ALA N N 37 119.900 122.549 -2.649 1
1 426 . 1 1 1 A 38 38 TYR H H 38 9.740 9.434 0.306 1
1 427 . 1 1 1 A 38 38 TYR HA H 38 4.730 5.021 -0.291 1
1 434 . 1 1 1 A 38 38 TYR CA C 38 55.900 55.024 0.876 1
1 435 . 1 1 1 A 38 38 TYR CB C 38 38.800 39.913 -1.113 1
1 440 . 1 1 1 A 38 38 TYR N N 38 125.300 120.341 4.959 1
1 441 . 1 1 1 A 39 39 PRO HA H 39 4.700 4.705 -0.005 1
1 448 . 1 1 1 A 39 39 PRO C C 39 175.100 175.822 -0.722 1
1 449 . 1 1 1 A 39 39 PRO CA C 39 63.100 62.493 0.607 1
1 450 . 1 1 1 A 39 39 PRO CB C 39 32.900 32.503 0.397 1
1 453 . 1 1 1 A 40 40 VAL H H 40 7.830 8.348 -0.518 1
1 454 . 1 1 1 A 40 40 VAL HA H 40 4.190 4.291 -0.101 1
1 462 . 1 1 1 A 40 40 VAL C C 40 176.300 175.587 0.713 1
1 463 . 1 1 1 A 40 40 VAL CA C 40 62.100 61.900 0.200 1
1 464 . 1 1 1 A 40 40 VAL CB C 40 32.300 32.432 -0.132 1
1 467 . 1 1 1 A 40 40 VAL N N 40 119.300 121.869 -2.569 1
1 468 . 1 1 1 A 41 41 ARG H H 41 8.410 9.214 -0.804 1
1 469 . 1 1 1 A 41 41 ARG HA H 41 4.680 4.765 -0.085 1
1 476 . 1 1 1 A 41 41 ARG C C 41 175.900 175.550 0.350 1
1 477 . 1 1 1 A 41 41 ARG CA C 41 55.100 54.481 0.619 1
1 478 . 1 1 1 A 41 41 ARG CB C 41 32.200 32.508 -0.308 1
1 481 . 1 1 1 A 41 41 ARG N N 41 127.400 126.982 0.418 1
1 482 . 1 1 1 A 42 42 ASP H H 42 9.440 9.483 -0.043 1
1 483 . 1 1 1 A 42 42 ASP HA H 42 4.270 4.418 -0.148 1
1 486 . 1 1 1 A 42 42 ASP C C 42 175.800 176.227 -0.427 1
1 487 . 1 1 1 A 42 42 ASP CA C 42 55.400 55.362 0.038 1
1 488 . 1 1 1 A 42 42 ASP CB C 42 39.700 39.544 0.156 1
1 489 . 1 1 1 A 42 42 ASP N N 42 127.200 125.667 1.533 1
1 490 . 1 1 1 A 43 43 GLY H H 43 8.390 8.625 -0.235 1
1 491 . 1 1 1 A 43 43 GLY HA2 H 43 3.420 3.834 -0.414 1
1 492 . 1 1 1 A 43 43 GLY HA3 H 43 4.100 3.836 0.264 1
1 493 . 1 1 1 A 43 43 GLY C C 43 173.400 173.763 -0.363 1
1 494 . 1 1 1 A 43 43 GLY CA C 43 45.200 45.475 -0.275 1
1 495 . 1 1 1 A 43 43 GLY N N 43 102.300 104.523 -2.223 1
1 496 . 1 1 1 A 44 44 ILE H H 44 7.760 8.309 -0.549 1
1 497 . 1 1 1 A 44 44 ILE HA H 44 4.610 4.468 0.142 1
1 507 . 1 1 1 A 44 44 ILE CA C 44 57.300 57.764 -0.464 1
1 508 . 1 1 1 A 44 44 ILE CB C 44 39.500 40.142 -0.642 1
1 512 . 1 1 1 A 44 44 ILE N N 44 121.900 121.899 0.001 1
1 513 . 1 1 1 A 45 45 PRO HA H 45 4.570 4.631 -0.061 1
1 520 . 1 1 1 A 45 45 PRO C C 45 175.900 175.317 0.583 1
1 521 . 1 1 1 A 45 45 PRO CA C 45 62.600 62.447 0.153 1
1 522 . 1 1 1 A 45 45 PRO CB C 45 32.400 32.496 -0.096 1
1 525 . 1 1 1 A 46 46 VAL H H 46 8.790 8.691 0.099 1
1 526 . 1 1 1 A 46 46 VAL HA H 46 4.050 4.333 -0.283 1
1 534 . 1 1 1 A 46 46 VAL C C 46 175.200 175.760 -0.560 1
1 535 . 1 1 1 A 46 46 VAL CA C 46 61.700 61.516 0.184 1
1 536 . 1 1 1 A 46 46 VAL CB C 46 30.800 33.048 -2.248 1
1 539 . 1 1 1 A 46 46 VAL N N 46 127.200 121.676 5.524 1
1 540 . 1 1 1 A 47 47 LEU H H 47 8.100 8.768 -0.668 1
1 541 . 1 1 1 A 47 47 LEU HA H 47 4.210 4.596 -0.386 1
1 551 . 1 1 1 A 47 47 LEU C C 47 175.600 176.031 -0.431 1
1 552 . 1 1 1 A 47 47 LEU CA C 47 52.700 53.900 -1.200 1
1 553 . 1 1 1 A 47 47 LEU CB C 47 39.400 41.838 -2.438 1
1 557 . 1 1 1 A 47 47 LEU N N 47 127.100 126.528 0.572 1
1 558 . 1 1 1 A 48 48 LEU H H 48 7.370 7.631 -0.261 1
1 559 . 1 1 1 A 48 48 LEU HA H 48 4.830 4.575 0.255 1
1 569 . 1 1 1 A 48 48 LEU C C 48 177.900 177.000 0.900 1
1 570 . 1 1 1 A 48 48 LEU CA C 48 52.800 53.626 -0.826 1
1 571 . 1 1 1 A 48 48 LEU CB C 48 44.200 43.036 1.164 1
1 575 . 1 1 1 A 48 48 LEU N N 48 121.200 121.077 0.123 1
1 576 . 1 1 1 A 49 49 VAL H H 49 9.020 8.598 0.422 1
1 577 . 1 1 1 A 49 49 VAL HA H 49 3.790 3.767 0.023 1
1 585 . 1 1 1 A 49 49 VAL C C 49 178.100 177.146 0.954 1
1 586 . 1 1 1 A 49 49 VAL CA C 49 66.700 66.678 0.022 1
1 587 . 1 1 1 A 49 49 VAL CB C 49 31.900 31.917 -0.017 1
1 590 . 1 1 1 A 49 49 VAL N N 49 124.600 122.728 1.872 1
1 591 . 1 1 1 A 50 50 ASP H H 50 8.750 8.240 0.510 1
1 592 . 1 1 1 A 50 50 ASP HA H 50 4.490 4.389 0.101 1
1 595 . 1 1 1 A 50 50 ASP C C 50 176.900 178.356 -1.456 1
1 596 . 1 1 1 A 50 50 ASP CA C 50 56.200 57.563 -1.363 1
1 597 . 1 1 1 A 50 50 ASP CB C 50 40.400 40.172 0.228 1
1 598 . 1 1 1 A 50 50 ASP N N 50 117.300 119.839 -2.539 1
1 599 . 1 1 1 A 51 51 GLU H H 51 7.500 7.678 -0.178 1
1 600 . 1 1 1 A 51 51 GLU HA H 51 4.470 4.341 0.129 1
1 605 . 1 1 1 A 51 51 GLU C C 51 175.300 176.577 -1.277 1
1 606 . 1 1 1 A 51 51 GLU CA C 51 55.600 56.675 -1.075 1
1 607 . 1 1 1 A 51 51 GLU CB C 51 30.300 30.219 0.081 1
1 609 . 1 1 1 A 51 51 GLU N N 51 116.100 116.033 0.067 1
1 610 . 1 1 1 A 52 52 ALA H H 52 7.370 7.265 0.105 1
1 611 . 1 1 1 A 52 52 ALA HA H 52 4.360 3.922 0.438 1
1 615 . 1 1 1 A 52 52 ALA C C 52 177.100 177.194 -0.094 1
1 616 . 1 1 1 A 52 52 ALA CA C 52 51.900 52.821 -0.921 1
1 617 . 1 1 1 A 52 52 ALA CB C 52 20.900 18.851 2.049 1
1 618 . 1 1 1 A 52 52 ALA N N 52 122.000 123.517 -1.517 1
1 619 . 1 1 1 A 53 53 ARG H H 53 8.880 8.797 0.083 1
1 620 . 1 1 1 A 53 53 ARG HA H 53 4.560 4.716 -0.156 1
1 628 . 1 1 1 A 53 53 ARG C C 53 175.800 175.470 0.330 1
1 629 . 1 1 1 A 53 53 ARG CA C 53 54.900 54.288 0.612 1
1 630 . 1 1 1 A 53 53 ARG CB C 53 32.500 32.426 0.074 1
1 633 . 1 1 1 A 53 53 ARG N N 53 121.500 121.962 -0.462 1
1 635 . 1 1 1 A 54 54 ARG H H 54 8.780 8.244 0.536 1
1 636 . 1 1 1 A 54 54 ARG HA H 54 4.560 4.640 -0.080 1
1 643 . 1 1 1 A 54 54 ARG CA C 54 54.000 54.071 -0.071 1
1 644 . 1 1 1 A 54 54 ARG CB C 54 30.100 29.528 0.572 1
1 647 . 1 1 1 A 54 54 ARG N N 54 127.200 121.932 5.268 1
1 648 . 1 1 1 A 55 55 PRO HA H 55 4.380 4.508 -0.128 1
1 655 . 1 1 1 A 55 55 PRO C C 55 176.000 177.392 -1.392 1
1 656 . 1 1 1 A 55 55 PRO CA C 55 63.500 63.326 0.174 1
1 657 . 1 1 1 A 55 55 PRO CB C 55 32.000 32.491 -0.491 1
1 3 . 2 1 1 A 2 2 PRO HA H 2 4.460 4.489 -0.029 1
1 10 . 2 1 1 A 2 2 PRO C C 2 176.800 177.563 -0.763 1
1 11 . 2 1 1 A 2 2 PRO CA C 2 63.100 64.406 -1.306 1
1 12 . 2 1 1 A 2 2 PRO CB C 2 32.100 31.916 0.184 1
1 15 . 2 1 1 A 3 3 LEU H H 3 8.520 7.977 0.543 1
1 16 . 2 1 1 A 3 3 LEU HA H 3 4.260 4.316 -0.056 1
1 26 . 2 1 1 A 3 3 LEU C C 3 177.700 177.362 0.338 1
1 27 . 2 1 1 A 3 3 LEU CA C 3 55.400 55.628 -0.228 1
1 28 . 2 1 1 A 3 3 LEU CB C 3 42.500 42.103 0.397 1
1 32 . 2 1 1 A 3 3 LEU N N 3 122.400 117.496 4.904 1
1 33 . 2 1 1 A 4 4 GLU H H 4 8.430 7.701 0.729 1
1 34 . 2 1 1 A 4 4 GLU HA H 4 4.200 4.485 -0.285 1
1 39 . 2 1 1 A 4 4 GLU C C 4 176.400 177.668 -1.268 1
1 40 . 2 1 1 A 4 4 GLU CA C 4 56.600 57.542 -0.942 1
1 41 . 2 1 1 A 4 4 GLU CB C 4 30.200 31.077 -0.877 1
1 43 . 2 1 1 A 4 4 GLU N N 4 122.100 117.344 4.756 1
1 44 . 2 1 1 A 5 5 ALA H H 5 8.420 8.273 0.147 1
1 45 . 2 1 1 A 5 5 ALA HA H 5 4.210 4.150 0.060 1
1 49 . 2 1 1 A 5 5 ALA C C 5 178.700 178.614 0.086 1
1 50 . 2 1 1 A 5 5 ALA CA C 5 53.500 54.008 -0.508 1
1 51 . 2 1 1 A 5 5 ALA CB C 5 19.000 19.899 -0.899 1
1 52 . 2 1 1 A 5 5 ALA N N 5 125.900 122.329 3.571 1
1 53 . 2 1 1 A 6 6 GLY H H 6 8.530 7.640 0.890 1
1 54 . 2 1 1 A 6 6 GLY HA2 H 6 3.910 3.954 -0.044 1
1 55 . 2 1 1 A 6 6 GLY HA3 H 6 3.950 3.954 -0.004 1
1 56 . 2 1 1 A 6 6 GLY C C 6 174.700 173.703 0.997 1
1 57 . 2 1 1 A 6 6 GLY CA C 6 45.600 46.595 -0.995 1
1 58 . 2 1 1 A 6 6 GLY N N 6 108.100 105.261 2.839 1
1 59 . 2 1 1 A 7 7 LEU H H 7 7.850 8.441 -0.591 1
1 60 . 2 1 1 A 7 7 LEU HA H 7 4.300 4.475 -0.175 1
1 70 . 2 1 1 A 7 7 LEU C C 7 177.700 177.769 -0.069 1
1 71 . 2 1 1 A 7 7 LEU CA C 7 55.800 53.609 2.191 1
1 72 . 2 1 1 A 7 7 LEU CB C 7 42.500 44.049 -1.549 1
1 76 . 2 1 1 A 7 7 LEU N N 7 121.300 125.376 -4.076 1
1 77 . 2 1 1 A 8 8 LEU H H 8 8.190 8.824 -0.634 1
1 78 . 2 1 1 A 8 8 LEU HA H 8 4.160 3.986 0.174 1
1 88 . 2 1 1 A 8 8 LEU C C 8 177.700 176.601 1.099 1
1 89 . 2 1 1 A 8 8 LEU CA C 8 56.100 57.666 -1.566 1
1 90 . 2 1 1 A 8 8 LEU CB C 8 42.100 42.115 -0.015 1
1 94 . 2 1 1 A 8 8 LEU N N 8 120.600 123.609 -3.009 1
1 95 . 2 1 1 A 9 9 GLU H H 9 8.150 8.076 0.074 1
1 96 . 2 1 1 A 9 9 GLU HA H 9 4.240 4.050 0.190 1
1 101 . 2 1 1 A 9 9 GLU C C 9 176.400 175.695 0.705 1
1 102 . 2 1 1 A 9 9 GLU CA C 9 57.000 57.322 -0.322 1
1 103 . 2 1 1 A 9 9 GLU CB C 9 30.200 28.366 1.834 1
1 105 . 2 1 1 A 9 9 GLU N N 9 118.800 116.166 2.634 1
1 106 . 2 1 1 A 10 10 ILE H H 10 7.860 8.314 -0.454 1
1 107 . 2 1 1 A 10 10 ILE HA H 10 4.280 3.968 0.312 1
1 117 . 2 1 1 A 10 10 ILE C C 10 176.100 175.305 0.795 1
1 118 . 2 1 1 A 10 10 ILE CA C 10 60.800 61.718 -0.918 1
1 119 . 2 1 1 A 10 10 ILE CB C 10 38.900 37.494 1.406 1
1 123 . 2 1 1 A 10 10 ILE N N 10 118.600 115.617 2.983 1
1 124 . 2 1 1 A 11 11 LEU H H 11 8.250 8.595 -0.345 1
1 125 . 2 1 1 A 11 11 LEU HA H 11 4.380 4.353 0.027 1
1 135 . 2 1 1 A 11 11 LEU C C 11 175.200 176.558 -1.358 1
1 136 . 2 1 1 A 11 11 LEU CA C 11 54.400 54.923 -0.523 1
1 137 . 2 1 1 A 11 11 LEU CB C 11 43.400 42.490 0.910 1
1 141 . 2 1 1 A 11 11 LEU N N 11 125.900 128.600 -2.700 1
1 142 . 2 1 1 A 12 12 ALA H H 12 7.920 8.690 -0.770 1
1 143 . 2 1 1 A 12 12 ALA HA H 12 4.620 5.372 -0.752 1
1 147 . 2 1 1 A 12 12 ALA C C 12 175.700 176.047 -0.347 1
1 148 . 2 1 1 A 12 12 ALA CA C 12 50.100 50.078 0.022 1
1 149 . 2 1 1 A 12 12 ALA CB C 12 22.000 23.072 -1.072 1
1 150 . 2 1 1 A 12 12 ALA N N 12 123.700 123.563 0.137 1
1 151 . 2 1 1 A 13 13 CYS H H 13 9.310 8.558 0.752 1
1 152 . 2 1 1 A 13 13 CYS HA H 13 4.130 5.067 -0.937 1
1 155 . 2 1 1 A 13 13 CYS CA C 13 56.900 55.899 1.001 1
1 156 . 2 1 1 A 13 13 CYS CB C 13 31.600 30.168 1.432 1
1 157 . 2 1 1 A 13 13 CYS N N 13 124.400 117.433 6.967 1
1 158 . 2 1 1 A 14 14 PRO HA H 14 4.340 4.425 -0.085 1
1 165 . 2 1 1 A 14 14 PRO C C 14 176.300 177.058 -0.758 1
1 166 . 2 1 1 A 14 14 PRO CA C 14 64.200 63.663 0.537 1
1 167 . 2 1 1 A 14 14 PRO CB C 14 31.800 32.109 -0.309 1
1 170 . 2 1 1 A 15 15 ALA H H 15 8.690 8.599 0.091 1
1 171 . 2 1 1 A 15 15 ALA HA H 15 4.340 3.901 0.439 1
1 175 . 2 1 1 A 15 15 ALA C C 15 178.300 176.040 2.260 1
1 176 . 2 1 1 A 15 15 ALA CA C 15 54.300 53.703 0.597 1
1 177 . 2 1 1 A 15 15 ALA CB C 15 20.100 17.996 2.104 1
1 178 . 2 1 1 A 15 15 ALA N N 15 123.400 119.787 3.613 1
1 179 . 2 1 1 A 16 16 CYS H H 16 8.290 7.194 1.096 1
1 180 . 2 1 1 A 16 16 CYS HA H 16 4.860 4.960 -0.100 1
1 183 . 2 1 1 A 16 16 CYS C C 16 176.700 172.716 3.984 1
1 184 . 2 1 1 A 16 16 CYS CA C 16 58.800 58.553 0.247 1
1 185 . 2 1 1 A 16 16 CYS CB C 16 32.600 30.720 1.880 1
1 186 . 2 1 1 A 16 16 CYS N N 16 117.000 111.850 5.150 1
1 187 . 2 1 1 A 17 17 HIS H H 17 8.300 8.710 -0.410 1
1 188 . 2 1 1 A 17 17 HIS HA H 17 4.440 5.728 -1.288 1
1 193 . 2 1 1 A 17 17 HIS C C 17 173.000 173.996 -0.996 1
1 194 . 2 1 1 A 17 17 HIS CA C 17 57.700 53.778 3.922 1
1 195 . 2 1 1 A 17 17 HIS CB C 17 26.500 31.793 -5.293 1
1 198 . 2 1 1 A 17 17 HIS N N 17 117.800 119.333 -1.533 1
1 199 . 2 1 1 A 18 18 ALA H H 18 9.080 8.377 0.703 1
1 200 . 2 1 1 A 18 18 ALA HA H 18 4.640 4.634 0.006 1
1 204 . 2 1 1 A 18 18 ALA CA C 18 52.100 50.746 1.354 1
1 205 . 2 1 1 A 18 18 ALA CB C 18 19.000 22.112 -3.112 1
1 206 . 2 1 1 A 18 18 ALA N N 18 127.600 122.507 5.093 1
1 207 . 2 1 1 A 19 19 PRO HA H 19 4.540 4.492 0.048 1
1 214 . 2 1 1 A 19 19 PRO C C 19 177.000 175.834 1.166 1
1 215 . 2 1 1 A 19 19 PRO CA C 19 63.300 62.845 0.455 1
1 216 . 2 1 1 A 19 19 PRO CB C 19 32.500 32.354 0.146 1
1 219 . 2 1 1 A 20 20 LEU H H 20 8.450 8.443 0.007 1
1 220 . 2 1 1 A 20 20 LEU HA H 20 5.050 5.102 -0.052 1
1 230 . 2 1 1 A 20 20 LEU C C 20 176.700 175.997 0.703 1
1 231 . 2 1 1 A 20 20 LEU CA C 20 53.300 53.144 0.156 1
1 232 . 2 1 1 A 20 20 LEU CB C 20 44.800 45.020 -0.220 1
1 236 . 2 1 1 A 20 20 LEU N N 20 121.400 121.642 -0.242 1
1 237 . 2 1 1 A 21 21 GLU H H 21 9.030 9.484 -0.454 1
1 238 . 2 1 1 A 21 21 GLU HA H 21 4.660 4.984 -0.324 1
1 243 . 2 1 1 A 21 21 GLU C C 21 175.100 174.716 0.384 1
1 244 . 2 1 1 A 21 21 GLU CA C 21 54.100 54.498 -0.398 1
1 245 . 2 1 1 A 21 21 GLU CB C 21 33.000 33.112 -0.112 1
1 247 . 2 1 1 A 21 21 GLU N N 21 120.700 121.208 -0.508 1
1 248 . 2 1 1 A 22 22 GLU H H 22 8.950 8.947 0.003 1
1 249 . 2 1 1 A 22 22 GLU HA H 22 4.630 4.874 -0.244 1
1 254 . 2 1 1 A 22 22 GLU C C 22 176.000 175.454 0.546 1
1 255 . 2 1 1 A 22 22 GLU CA C 22 56.800 56.339 0.461 1
1 256 . 2 1 1 A 22 22 GLU CB C 22 30.200 30.645 -0.445 1
1 258 . 2 1 1 A 22 22 GLU N N 22 125.900 124.514 1.386 1
1 259 . 2 1 1 A 23 23 ARG H H 23 8.830 9.269 -0.439 1
1 260 . 2 1 1 A 23 23 ARG HA H 23 4.500 4.525 -0.025 1
1 267 . 2 1 1 A 23 23 ARG C C 23 175.000 174.390 0.610 1
1 268 . 2 1 1 A 23 23 ARG CA C 23 55.600 55.880 -0.280 1
1 269 . 2 1 1 A 23 23 ARG CB C 23 32.100 33.203 -1.103 1
1 272 . 2 1 1 A 23 23 ARG N N 23 128.000 126.791 1.209 1
1 273 . 2 1 1 A 24 24 ASP H H 24 9.150 9.346 -0.196 1
1 274 . 2 1 1 A 24 24 ASP HA H 24 4.180 4.322 -0.142 1
1 277 . 2 1 1 A 24 24 ASP C C 24 174.900 175.283 -0.383 1
1 278 . 2 1 1 A 24 24 ASP CA C 24 56.600 55.541 1.059 1
1 279 . 2 1 1 A 24 24 ASP CB C 24 39.600 39.147 0.453 1
1 280 . 2 1 1 A 24 24 ASP N N 24 126.000 125.833 0.167 1
1 281 . 2 1 1 A 25 25 ALA H H 25 8.480 8.347 0.133 1
1 282 . 2 1 1 A 25 25 ALA HA H 25 4.370 3.894 0.476 1
1 286 . 2 1 1 A 25 25 ALA C C 25 175.700 175.928 -0.228 1
1 287 . 2 1 1 A 25 25 ALA CA C 25 52.600 53.706 -1.106 1
1 288 . 2 1 1 A 25 25 ALA CB C 25 18.100 18.083 0.017 1
1 289 . 2 1 1 A 25 25 ALA N N 25 122.800 113.602 9.198 1
1 290 . 2 1 1 A 26 26 GLU H H 26 7.770 7.964 -0.194 1
1 291 . 2 1 1 A 26 26 GLU HA H 26 5.100 4.825 0.275 1
1 296 . 2 1 1 A 26 26 GLU C C 26 174.600 174.616 -0.016 1
1 297 . 2 1 1 A 26 26 GLU CA C 26 54.700 54.490 0.210 1
1 298 . 2 1 1 A 26 26 GLU CB C 26 35.100 32.444 2.656 1
1 300 . 2 1 1 A 26 26 GLU N N 26 116.600 112.663 3.937 1
1 301 . 2 1 1 A 27 27 LEU H H 27 9.190 9.198 -0.008 1
1 302 . 2 1 1 A 27 27 LEU HA H 27 5.010 5.073 -0.063 1
1 312 . 2 1 1 A 27 27 LEU C C 27 175.500 175.765 -0.265 1
1 313 . 2 1 1 A 27 27 LEU CA C 27 53.200 53.537 -0.337 1
1 314 . 2 1 1 A 27 27 LEU CB C 27 44.400 43.013 1.387 1
1 318 . 2 1 1 A 27 27 LEU N N 27 120.900 121.896 -0.996 1
1 319 . 2 1 1 A 28 28 ILE H H 28 9.480 9.789 -0.309 1
1 320 . 2 1 1 A 28 28 ILE HA H 28 4.770 4.628 0.142 1
1 330 . 2 1 1 A 28 28 ILE C C 28 175.300 175.441 -0.141 1
1 331 . 2 1 1 A 28 28 ILE CA C 28 60.000 60.307 -0.307 1
1 332 . 2 1 1 A 28 28 ILE CB C 28 39.700 40.247 -0.547 1
1 336 . 2 1 1 A 28 28 ILE N N 28 123.300 125.332 -2.032 1
1 337 . 2 1 1 A 29 29 CYS H H 29 9.160 9.162 -0.002 1
1 338 . 2 1 1 A 29 29 CYS HA H 29 4.250 4.763 -0.513 1
1 341 . 2 1 1 A 29 29 CYS C C 29 176.700 174.417 2.283 1
1 342 . 2 1 1 A 29 29 CYS CA C 29 62.000 58.604 3.396 1
1 343 . 2 1 1 A 29 29 CYS CB C 29 30.400 27.408 2.992 1
1 344 . 2 1 1 A 29 29 CYS N N 29 130.800 125.661 5.139 1
1 345 . 2 1 1 A 30 30 THR H H 30 7.840 9.064 -1.224 1
1 346 . 2 1 1 A 30 30 THR HA H 30 4.280 5.066 -0.786 1
1 351 . 2 1 1 A 30 30 THR C C 30 175.300 174.502 0.798 1
1 352 . 2 1 1 A 30 30 THR CA C 30 62.400 60.586 1.814 1
1 353 . 2 1 1 A 30 30 THR CB C 30 70.500 70.270 0.230 1
1 355 . 2 1 1 A 30 30 THR N N 30 118.800 120.585 -1.785 1
1 356 . 2 1 1 A 31 31 GLY H H 31 10.310 7.922 2.388 1
1 357 . 2 1 1 A 31 31 GLY HA2 H 31 3.710 4.153 -0.443 1
1 358 . 2 1 1 A 31 31 GLY HA3 H 31 3.960 4.168 -0.208 1
1 359 . 2 1 1 A 31 31 GLY C C 31 175.900 174.370 1.530 1
1 360 . 2 1 1 A 31 31 GLY CA C 31 45.300 45.859 -0.559 1
1 361 . 2 1 1 A 31 31 GLY N N 31 120.100 112.204 7.896 1
1 362 . 2 1 1 A 32 32 GLN H H 32 8.940 8.815 0.125 1
1 363 . 2 1 1 A 32 32 GLN HA H 32 3.990 3.924 0.066 1
1 370 . 2 1 1 A 32 32 GLN C C 32 176.400 176.928 -0.528 1
1 371 . 2 1 1 A 32 32 GLN CA C 32 58.200 59.089 -0.889 1
1 372 . 2 1 1 A 32 32 GLN CB C 32 28.800 28.545 0.255 1
1 375 . 2 1 1 A 32 32 GLN N N 32 127.200 119.536 7.664 1
1 377 . 2 1 1 A 33 33 ASP H H 33 8.560 7.546 1.014 1
1 378 . 2 1 1 A 33 33 ASP HA H 33 4.610 4.712 -0.102 1
1 381 . 2 1 1 A 33 33 ASP C C 33 174.500 175.926 -1.426 1
1 382 . 2 1 1 A 33 33 ASP CA C 33 54.000 54.148 -0.148 1
1 383 . 2 1 1 A 33 33 ASP CB C 33 40.400 41.885 -1.485 1
1 384 . 2 1 1 A 33 33 ASP N N 33 117.200 116.364 0.836 1
1 385 . 2 1 1 A 34 34 CYS H H 34 7.330 7.678 -0.348 1
1 386 . 2 1 1 A 34 34 CYS HA H 34 4.480 4.640 -0.160 1
1 389 . 2 1 1 A 34 34 CYS C C 34 175.500 175.549 -0.049 1
1 390 . 2 1 1 A 34 34 CYS CA C 34 60.100 57.425 2.675 1
1 391 . 2 1 1 A 34 34 CYS CB C 34 31.200 28.084 3.116 1
1 392 . 2 1 1 A 34 34 CYS N N 34 123.800 119.607 4.193 1
1 393 . 2 1 1 A 35 35 GLY H H 35 8.020 8.814 -0.794 1
1 394 . 2 1 1 A 35 35 GLY HA2 H 35 3.940 4.125 -0.185 1
1 395 . 2 1 1 A 35 35 GLY HA3 H 35 4.240 4.133 0.107 1
1 396 . 2 1 1 A 35 35 GLY C C 35 173.900 174.089 -0.189 1
1 397 . 2 1 1 A 35 35 GLY CA C 35 46.900 45.591 1.309 1
1 398 . 2 1 1 A 35 35 GLY N N 35 108.700 113.939 -5.239 1
1 399 . 2 1 1 A 36 36 LEU H H 36 7.430 7.327 0.103 1
1 400 . 2 1 1 A 36 36 LEU HA H 36 3.930 4.339 -0.409 1
1 410 . 2 1 1 A 36 36 LEU C C 36 173.800 175.812 -2.012 1
1 411 . 2 1 1 A 36 36 LEU CA C 36 56.400 54.994 1.406 1
1 412 . 2 1 1 A 36 36 LEU CB C 36 43.300 42.183 1.117 1
1 416 . 2 1 1 A 36 36 LEU N N 36 121.100 121.413 -0.313 1
1 417 . 2 1 1 A 37 37 ALA H H 37 7.990 8.693 -0.703 1
1 418 . 2 1 1 A 37 37 ALA HA H 37 5.240 5.329 -0.089 1
1 422 . 2 1 1 A 37 37 ALA C C 37 176.700 174.816 1.884 1
1 423 . 2 1 1 A 37 37 ALA CA C 37 49.800 50.103 -0.303 1
1 424 . 2 1 1 A 37 37 ALA CB C 37 22.200 21.933 0.267 1
1 425 . 2 1 1 A 37 37 ALA N N 37 119.900 123.057 -3.157 1
1 426 . 2 1 1 A 38 38 TYR H H 38 9.740 9.451 0.289 1
1 427 . 2 1 1 A 38 38 TYR HA H 38 4.730 4.966 -0.236 1
1 434 . 2 1 1 A 38 38 TYR CA C 38 55.900 55.295 0.605 1
1 435 . 2 1 1 A 38 38 TYR CB C 38 38.800 40.115 -1.315 1
1 440 . 2 1 1 A 38 38 TYR N N 38 125.300 120.932 4.368 1
1 441 . 2 1 1 A 39 39 PRO HA H 39 4.700 4.686 0.014 1
1 448 . 2 1 1 A 39 39 PRO C C 39 175.100 175.194 -0.094 1
1 449 . 2 1 1 A 39 39 PRO CA C 39 63.100 62.377 0.723 1
1 450 . 2 1 1 A 39 39 PRO CB C 39 32.900 32.903 -0.003 1
1 453 . 2 1 1 A 40 40 VAL H H 40 7.830 8.393 -0.563 1
1 454 . 2 1 1 A 40 40 VAL HA H 40 4.190 4.676 -0.486 1
1 462 . 2 1 1 A 40 40 VAL C C 40 176.300 173.993 2.307 1
1 463 . 2 1 1 A 40 40 VAL CA C 40 62.100 59.578 2.522 1
1 464 . 2 1 1 A 40 40 VAL CB C 40 32.300 34.359 -2.059 1
1 467 . 2 1 1 A 40 40 VAL N N 40 119.300 120.347 -1.047 1
1 468 . 2 1 1 A 41 41 ARG H H 41 8.410 9.291 -0.881 1
1 469 . 2 1 1 A 41 41 ARG HA H 41 4.680 4.728 -0.048 1
1 476 . 2 1 1 A 41 41 ARG C C 41 175.900 175.725 0.175 1
1 477 . 2 1 1 A 41 41 ARG CA C 41 55.100 54.686 0.414 1
1 478 . 2 1 1 A 41 41 ARG CB C 41 32.200 30.134 2.066 1
1 481 . 2 1 1 A 41 41 ARG N N 41 127.400 127.597 -0.197 1
1 482 . 2 1 1 A 42 42 ASP H H 42 9.440 9.519 -0.079 1
1 483 . 2 1 1 A 42 42 ASP HA H 42 4.270 4.408 -0.138 1
1 486 . 2 1 1 A 42 42 ASP C C 42 175.800 176.258 -0.458 1
1 487 . 2 1 1 A 42 42 ASP CA C 42 55.400 55.369 0.031 1
1 488 . 2 1 1 A 42 42 ASP CB C 42 39.700 39.649 0.051 1
1 489 . 2 1 1 A 42 42 ASP N N 42 127.200 126.431 0.769 1
1 490 . 2 1 1 A 43 43 GLY H H 43 8.390 8.528 -0.138 1
1 491 . 2 1 1 A 43 43 GLY HA2 H 43 3.420 3.815 -0.395 1
1 492 . 2 1 1 A 43 43 GLY HA3 H 43 4.100 3.817 0.283 1
1 493 . 2 1 1 A 43 43 GLY C C 43 173.400 173.836 -0.436 1
1 494 . 2 1 1 A 43 43 GLY CA C 43 45.200 45.490 -0.290 1
1 495 . 2 1 1 A 43 43 GLY N N 43 102.300 104.378 -2.078 1
1 496 . 2 1 1 A 44 44 ILE H H 44 7.760 8.153 -0.393 1
1 497 . 2 1 1 A 44 44 ILE HA H 44 4.610 4.358 0.252 1
1 507 . 2 1 1 A 44 44 ILE CA C 44 57.300 58.053 -0.753 1
1 508 . 2 1 1 A 44 44 ILE CB C 44 39.500 38.917 0.583 1
1 512 . 2 1 1 A 44 44 ILE N N 44 121.900 122.257 -0.357 1
1 513 . 2 1 1 A 45 45 PRO HA H 45 4.570 4.432 0.138 1
1 520 . 2 1 1 A 45 45 PRO C C 45 175.900 176.194 -0.294 1
1 521 . 2 1 1 A 45 45 PRO CA C 45 62.600 63.029 -0.429 1
1 522 . 2 1 1 A 45 45 PRO CB C 45 32.400 32.691 -0.291 1
1 525 . 2 1 1 A 46 46 VAL H H 46 8.790 7.959 0.831 1
1 526 . 2 1 1 A 46 46 VAL HA H 46 4.050 4.755 -0.705 1
1 534 . 2 1 1 A 46 46 VAL C C 46 175.200 175.305 -0.105 1
1 535 . 2 1 1 A 46 46 VAL CA C 46 61.700 60.649 1.051 1
1 536 . 2 1 1 A 46 46 VAL CB C 46 30.800 32.900 -2.100 1
1 539 . 2 1 1 A 46 46 VAL N N 46 127.200 116.499 10.701 1
1 540 . 2 1 1 A 47 47 LEU H H 47 8.100 8.738 -0.638 1
1 541 . 2 1 1 A 47 47 LEU HA H 47 4.210 4.321 -0.111 1
1 551 . 2 1 1 A 47 47 LEU C C 47 175.600 175.059 0.541 1
1 552 . 2 1 1 A 47 47 LEU CA C 47 52.700 54.340 -1.640 1
1 553 . 2 1 1 A 47 47 LEU CB C 47 39.400 40.007 -0.607 1
1 557 . 2 1 1 A 47 47 LEU N N 47 127.100 129.861 -2.761 1
1 558 . 2 1 1 A 48 48 LEU H H 48 7.370 7.726 -0.356 1
1 559 . 2 1 1 A 48 48 LEU HA H 48 4.830 4.714 0.116 1
1 569 . 2 1 1 A 48 48 LEU C C 48 177.900 177.244 0.656 1
1 570 . 2 1 1 A 48 48 LEU CA C 48 52.800 53.300 -0.500 1
1 571 . 2 1 1 A 48 48 LEU CB C 48 44.200 44.028 0.172 1
1 575 . 2 1 1 A 48 48 LEU N N 48 121.200 121.633 -0.433 1
1 576 . 2 1 1 A 49 49 VAL H H 49 9.020 8.712 0.308 1
1 577 . 2 1 1 A 49 49 VAL HA H 49 3.790 3.722 0.068 1
1 585 . 2 1 1 A 49 49 VAL C C 49 178.100 177.212 0.888 1
1 586 . 2 1 1 A 49 49 VAL CA C 49 66.700 66.141 0.559 1
1 587 . 2 1 1 A 49 49 VAL CB C 49 31.900 31.656 0.244 1
1 590 . 2 1 1 A 49 49 VAL N N 49 124.600 122.351 2.249 1
1 591 . 2 1 1 A 50 50 ASP H H 50 8.750 8.243 0.507 1
1 592 . 2 1 1 A 50 50 ASP HA H 50 4.490 4.384 0.106 1
1 595 . 2 1 1 A 50 50 ASP C C 50 176.900 178.238 -1.338 1
1 596 . 2 1 1 A 50 50 ASP CA C 50 56.200 57.566 -1.366 1
1 597 . 2 1 1 A 50 50 ASP CB C 50 40.400 40.152 0.248 1
1 598 . 2 1 1 A 50 50 ASP N N 50 117.300 120.846 -3.546 1
1 599 . 2 1 1 A 51 51 GLU H H 51 7.500 7.530 -0.030 1
1 600 . 2 1 1 A 51 51 GLU HA H 51 4.470 4.409 0.061 1
1 605 . 2 1 1 A 51 51 GLU C C 51 175.300 176.177 -0.877 1
1 606 . 2 1 1 A 51 51 GLU CA C 51 55.600 56.249 -0.649 1
1 607 . 2 1 1 A 51 51 GLU CB C 51 30.300 30.273 0.027 1
1 609 . 2 1 1 A 51 51 GLU N N 51 116.100 115.550 0.550 1
1 610 . 2 1 1 A 52 52 ALA H H 52 7.370 7.107 0.263 1
1 611 . 2 1 1 A 52 52 ALA HA H 52 4.360 4.016 0.344 1
1 615 . 2 1 1 A 52 52 ALA C C 52 177.100 176.751 0.349 1
1 616 . 2 1 1 A 52 52 ALA CA C 52 51.900 52.894 -0.994 1
1 617 . 2 1 1 A 52 52 ALA CB C 52 20.900 18.952 1.948 1
1 618 . 2 1 1 A 52 52 ALA N N 52 122.000 123.555 -1.555 1
1 619 . 2 1 1 A 53 53 ARG H H 53 8.880 8.838 0.042 1
1 620 . 2 1 1 A 53 53 ARG HA H 53 4.560 5.011 -0.451 1
1 628 . 2 1 1 A 53 53 ARG C C 53 175.800 174.854 0.946 1
1 629 . 2 1 1 A 53 53 ARG CA C 53 54.900 54.092 0.808 1
1 630 . 2 1 1 A 53 53 ARG CB C 53 32.500 33.897 -1.397 1
1 633 . 2 1 1 A 53 53 ARG N N 53 121.500 122.253 -0.753 1
1 635 . 2 1 1 A 54 54 ARG H H 54 8.780 8.403 0.377 1
1 636 . 2 1 1 A 54 54 ARG HA H 54 4.560 4.703 -0.143 1
1 643 . 2 1 1 A 54 54 ARG CA C 54 54.000 53.353 0.647 1
1 644 . 2 1 1 A 54 54 ARG CB C 54 30.100 30.192 -0.092 1
1 647 . 2 1 1 A 54 54 ARG N N 54 127.200 124.906 2.294 1
1 648 . 2 1 1 A 55 55 PRO HA H 55 4.380 4.467 -0.087 1
1 655 . 2 1 1 A 55 55 PRO C C 55 176.000 177.140 -1.140 1
1 656 . 2 1 1 A 55 55 PRO CA C 55 63.500 62.749 0.751 1
1 657 . 2 1 1 A 55 55 PRO CB C 55 32.000 32.082 -0.082 1
1 3 . 3 1 1 A 2 2 PRO HA H 2 4.460 4.498 -0.038 1
1 10 . 3 1 1 A 2 2 PRO C C 2 176.800 176.924 -0.124 1
1 11 . 3 1 1 A 2 2 PRO CA C 2 63.100 62.992 0.108 1
1 12 . 3 1 1 A 2 2 PRO CB C 2 32.100 32.697 -0.597 1
1 15 . 3 1 1 A 3 3 LEU H H 3 8.520 8.509 0.011 1
1 16 . 3 1 1 A 3 3 LEU HA H 3 4.260 4.259 0.001 1
1 26 . 3 1 1 A 3 3 LEU C C 3 177.700 177.664 0.036 1
1 27 . 3 1 1 A 3 3 LEU CA C 3 55.400 55.859 -0.459 1
1 28 . 3 1 1 A 3 3 LEU CB C 3 42.500 41.924 0.576 1
1 32 . 3 1 1 A 3 3 LEU N N 3 122.400 121.039 1.361 1
1 33 . 3 1 1 A 4 4 GLU H H 4 8.430 7.738 0.692 1
1 34 . 3 1 1 A 4 4 GLU HA H 4 4.200 4.217 -0.017 1
1 39 . 3 1 1 A 4 4 GLU C C 4 176.400 176.779 -0.379 1
1 40 . 3 1 1 A 4 4 GLU CA C 4 56.600 58.656 -2.056 1
1 41 . 3 1 1 A 4 4 GLU CB C 4 30.200 29.998 0.202 1
1 43 . 3 1 1 A 4 4 GLU N N 4 122.100 118.612 3.488 1
1 44 . 3 1 1 A 5 5 ALA H H 5 8.420 7.875 0.545 1
1 45 . 3 1 1 A 5 5 ALA HA H 5 4.210 4.103 0.107 1
1 49 . 3 1 1 A 5 5 ALA C C 5 178.700 177.474 1.226 1
1 50 . 3 1 1 A 5 5 ALA CA C 5 53.500 53.816 -0.316 1
1 51 . 3 1 1 A 5 5 ALA CB C 5 19.000 18.259 0.741 1
1 52 . 3 1 1 A 5 5 ALA N N 5 125.900 121.081 4.819 1
1 53 . 3 1 1 A 6 6 GLY H H 6 8.530 8.638 -0.108 1
1 54 . 3 1 1 A 6 6 GLY HA2 H 6 3.910 4.032 -0.122 1
1 55 . 3 1 1 A 6 6 GLY HA3 H 6 3.950 4.032 -0.082 1
1 56 . 3 1 1 A 6 6 GLY C C 6 174.700 172.536 2.164 1
1 57 . 3 1 1 A 6 6 GLY CA C 6 45.600 45.145 0.455 1
1 58 . 3 1 1 A 6 6 GLY N N 6 108.100 108.244 -0.144 1
1 59 . 3 1 1 A 7 7 LEU H H 7 7.850 8.228 -0.378 1
1 60 . 3 1 1 A 7 7 LEU HA H 7 4.300 4.385 -0.085 1
1 70 . 3 1 1 A 7 7 LEU C C 7 177.700 177.119 0.581 1
1 71 . 3 1 1 A 7 7 LEU CA C 7 55.800 55.623 0.177 1
1 72 . 3 1 1 A 7 7 LEU CB C 7 42.500 42.534 -0.034 1
1 76 . 3 1 1 A 7 7 LEU N N 7 121.300 122.739 -1.439 1
1 77 . 3 1 1 A 8 8 LEU H H 8 8.190 8.750 -0.560 1
1 78 . 3 1 1 A 8 8 LEU HA H 8 4.160 4.497 -0.337 1
1 88 . 3 1 1 A 8 8 LEU C C 8 177.700 177.222 0.478 1
1 89 . 3 1 1 A 8 8 LEU CA C 8 56.100 55.120 0.980 1
1 90 . 3 1 1 A 8 8 LEU CB C 8 42.100 43.221 -1.121 1
1 94 . 3 1 1 A 8 8 LEU N N 8 120.600 123.026 -2.426 1
1 95 . 3 1 1 A 9 9 GLU H H 9 8.150 7.782 0.368 1
1 96 . 3 1 1 A 9 9 GLU HA H 9 4.240 4.257 -0.017 1
1 101 . 3 1 1 A 9 9 GLU C C 9 176.400 176.020 0.380 1
1 102 . 3 1 1 A 9 9 GLU CA C 9 57.000 56.884 0.116 1
1 103 . 3 1 1 A 9 9 GLU CB C 9 30.200 30.242 -0.042 1
1 105 . 3 1 1 A 9 9 GLU N N 9 118.800 121.473 -2.673 1
1 106 . 3 1 1 A 10 10 ILE H H 10 7.860 8.743 -0.883 1
1 107 . 3 1 1 A 10 10 ILE HA H 10 4.280 4.285 -0.005 1
1 117 . 3 1 1 A 10 10 ILE C C 10 176.100 176.223 -0.123 1
1 118 . 3 1 1 A 10 10 ILE CA C 10 60.800 60.961 -0.161 1
1 119 . 3 1 1 A 10 10 ILE CB C 10 38.900 38.692 0.208 1
1 123 . 3 1 1 A 10 10 ILE N N 10 118.600 125.611 -7.011 1
1 124 . 3 1 1 A 11 11 LEU H H 11 8.250 7.335 0.915 1
1 125 . 3 1 1 A 11 11 LEU HA H 11 4.380 4.190 0.190 1
1 135 . 3 1 1 A 11 11 LEU C C 11 175.200 176.546 -1.346 1
1 136 . 3 1 1 A 11 11 LEU CA C 11 54.400 54.991 -0.591 1
1 137 . 3 1 1 A 11 11 LEU CB C 11 43.400 42.777 0.623 1
1 141 . 3 1 1 A 11 11 LEU N N 11 125.900 122.561 3.339 1
1 142 . 3 1 1 A 12 12 ALA H H 12 7.920 8.399 -0.479 1
1 143 . 3 1 1 A 12 12 ALA HA H 12 4.620 5.111 -0.491 1
1 147 . 3 1 1 A 12 12 ALA C C 12 175.700 175.663 0.037 1
1 148 . 3 1 1 A 12 12 ALA CA C 12 50.100 50.594 -0.494 1
1 149 . 3 1 1 A 12 12 ALA CB C 12 22.000 22.888 -0.888 1
1 150 . 3 1 1 A 12 12 ALA N N 12 123.700 122.498 1.202 1
1 151 . 3 1 1 A 13 13 CYS H H 13 9.310 8.399 0.911 1
1 152 . 3 1 1 A 13 13 CYS HA H 13 4.130 4.611 -0.481 1
1 155 . 3 1 1 A 13 13 CYS CA C 13 56.900 57.333 -0.433 1
1 156 . 3 1 1 A 13 13 CYS CB C 13 31.600 27.972 3.628 1
1 157 . 3 1 1 A 13 13 CYS N N 13 124.400 121.101 3.299 1
1 158 . 3 1 1 A 14 14 PRO HA H 14 4.340 4.233 0.107 1
1 165 . 3 1 1 A 14 14 PRO C C 14 176.300 176.770 -0.470 1
1 166 . 3 1 1 A 14 14 PRO CA C 14 64.200 63.830 0.370 1
1 167 . 3 1 1 A 14 14 PRO CB C 14 31.800 31.949 -0.149 1
1 170 . 3 1 1 A 15 15 ALA H H 15 8.690 8.449 0.241 1
1 171 . 3 1 1 A 15 15 ALA HA H 15 4.340 3.939 0.401 1
1 175 . 3 1 1 A 15 15 ALA C C 15 178.300 176.313 1.987 1
1 176 . 3 1 1 A 15 15 ALA CA C 15 54.300 54.301 -0.001 1
1 177 . 3 1 1 A 15 15 ALA CB C 15 20.100 17.050 3.050 1
1 178 . 3 1 1 A 15 15 ALA N N 15 123.400 118.856 4.544 1
1 179 . 3 1 1 A 16 16 CYS H H 16 8.290 7.745 0.545 1
1 180 . 3 1 1 A 16 16 CYS HA H 16 4.860 4.850 0.010 1
1 183 . 3 1 1 A 16 16 CYS C C 16 176.700 172.535 4.165 1
1 184 . 3 1 1 A 16 16 CYS CA C 16 58.800 56.540 2.260 1
1 185 . 3 1 1 A 16 16 CYS CB C 16 32.600 30.436 2.164 1
1 186 . 3 1 1 A 16 16 CYS N N 16 117.000 114.472 2.528 1
1 187 . 3 1 1 A 17 17 HIS H H 17 8.300 8.631 -0.331 1
1 188 . 3 1 1 A 17 17 HIS HA H 17 4.440 5.220 -0.780 1
1 193 . 3 1 1 A 17 17 HIS C C 17 173.000 174.051 -1.051 1
1 194 . 3 1 1 A 17 17 HIS CA C 17 57.700 54.605 3.095 1
1 195 . 3 1 1 A 17 17 HIS CB C 17 26.500 31.359 -4.859 1
1 198 . 3 1 1 A 17 17 HIS N N 17 117.800 117.134 0.666 1
1 199 . 3 1 1 A 18 18 ALA H H 18 9.080 8.516 0.564 1
1 200 . 3 1 1 A 18 18 ALA HA H 18 4.640 4.720 -0.080 1
1 204 . 3 1 1 A 18 18 ALA CA C 18 52.100 50.818 1.282 1
1 205 . 3 1 1 A 18 18 ALA CB C 18 19.000 22.217 -3.217 1
1 206 . 3 1 1 A 18 18 ALA N N 18 127.600 124.930 2.670 1
1 207 . 3 1 1 A 19 19 PRO HA H 19 4.540 4.581 -0.041 1
1 214 . 3 1 1 A 19 19 PRO C C 19 177.000 175.239 1.761 1
1 215 . 3 1 1 A 19 19 PRO CA C 19 63.300 62.407 0.893 1
1 216 . 3 1 1 A 19 19 PRO CB C 19 32.500 33.297 -0.797 1
1 219 . 3 1 1 A 20 20 LEU H H 20 8.450 8.444 0.006 1
1 220 . 3 1 1 A 20 20 LEU HA H 20 5.050 5.020 0.030 1
1 230 . 3 1 1 A 20 20 LEU C C 20 176.700 175.749 0.951 1
1 231 . 3 1 1 A 20 20 LEU CA C 20 53.300 53.339 -0.039 1
1 232 . 3 1 1 A 20 20 LEU CB C 20 44.800 44.249 0.551 1
1 236 . 3 1 1 A 20 20 LEU N N 20 121.400 121.594 -0.194 1
1 237 . 3 1 1 A 21 21 GLU H H 21 9.030 9.372 -0.342 1
1 238 . 3 1 1 A 21 21 GLU HA H 21 4.660 5.022 -0.362 1
1 243 . 3 1 1 A 21 21 GLU C C 21 175.100 175.579 -0.479 1
1 244 . 3 1 1 A 21 21 GLU CA C 21 54.100 55.021 -0.921 1
1 245 . 3 1 1 A 21 21 GLU CB C 21 33.000 32.275 0.725 1
1 247 . 3 1 1 A 21 21 GLU N N 21 120.700 121.907 -1.207 1
1 248 . 3 1 1 A 22 22 GLU H H 22 8.950 8.890 0.060 1
1 249 . 3 1 1 A 22 22 GLU HA H 22 4.630 5.009 -0.379 1
1 254 . 3 1 1 A 22 22 GLU C C 22 176.000 175.805 0.195 1
1 255 . 3 1 1 A 22 22 GLU CA C 22 56.800 55.655 1.145 1
1 256 . 3 1 1 A 22 22 GLU CB C 22 30.200 30.989 -0.789 1
1 258 . 3 1 1 A 22 22 GLU N N 22 125.900 122.253 3.647 1
1 259 . 3 1 1 A 23 23 ARG H H 23 8.830 9.149 -0.319 1
1 260 . 3 1 1 A 23 23 ARG HA H 23 4.500 4.770 -0.270 1
1 267 . 3 1 1 A 23 23 ARG C C 23 175.000 175.697 -0.697 1
1 268 . 3 1 1 A 23 23 ARG CA C 23 55.600 54.182 1.418 1
1 269 . 3 1 1 A 23 23 ARG CB C 23 32.100 32.948 -0.848 1
1 272 . 3 1 1 A 23 23 ARG N N 23 128.000 123.555 4.445 1
1 273 . 3 1 1 A 24 24 ASP H H 24 9.150 9.029 0.121 1
1 274 . 3 1 1 A 24 24 ASP HA H 24 4.180 4.245 -0.065 1
1 277 . 3 1 1 A 24 24 ASP C C 24 174.900 175.710 -0.810 1
1 278 . 3 1 1 A 24 24 ASP CA C 24 56.600 56.461 0.139 1
1 279 . 3 1 1 A 24 24 ASP CB C 24 39.600 39.638 -0.038 1
1 280 . 3 1 1 A 24 24 ASP N N 24 126.000 118.464 7.536 1
1 281 . 3 1 1 A 25 25 ALA H H 25 8.480 8.396 0.084 1
1 282 . 3 1 1 A 25 25 ALA HA H 25 4.370 4.509 -0.139 1
1 286 . 3 1 1 A 25 25 ALA C C 25 175.700 176.096 -0.396 1
1 287 . 3 1 1 A 25 25 ALA CA C 25 52.600 51.476 1.124 1
1 288 . 3 1 1 A 25 25 ALA CB C 25 18.100 19.284 -1.184 1
1 289 . 3 1 1 A 25 25 ALA N N 25 122.800 125.344 -2.544 1
1 290 . 3 1 1 A 26 26 GLU H H 26 7.770 8.289 -0.519 1
1 291 . 3 1 1 A 26 26 GLU HA H 26 5.100 4.895 0.205 1
1 296 . 3 1 1 A 26 26 GLU C C 26 174.600 174.783 -0.183 1
1 297 . 3 1 1 A 26 26 GLU CA C 26 54.700 54.943 -0.243 1
1 298 . 3 1 1 A 26 26 GLU CB C 26 35.100 34.975 0.125 1
1 300 . 3 1 1 A 26 26 GLU N N 26 116.600 116.259 0.341 1
1 301 . 3 1 1 A 27 27 LEU H H 27 9.190 9.031 0.159 1
1 302 . 3 1 1 A 27 27 LEU HA H 27 5.010 5.315 -0.305 1
1 312 . 3 1 1 A 27 27 LEU C C 27 175.500 175.972 -0.472 1
1 313 . 3 1 1 A 27 27 LEU CA C 27 53.200 53.510 -0.310 1
1 314 . 3 1 1 A 27 27 LEU CB C 27 44.400 45.439 -1.039 1
1 318 . 3 1 1 A 27 27 LEU N N 27 120.900 121.863 -0.963 1
1 319 . 3 1 1 A 28 28 ILE H H 28 9.480 9.345 0.135 1
1 320 . 3 1 1 A 28 28 ILE HA H 28 4.770 4.729 0.041 1
1 330 . 3 1 1 A 28 28 ILE C C 28 175.300 174.982 0.318 1
1 331 . 3 1 1 A 28 28 ILE CA C 28 60.000 59.677 0.323 1
1 332 . 3 1 1 A 28 28 ILE CB C 28 39.700 42.090 -2.390 1
1 336 . 3 1 1 A 28 28 ILE N N 28 123.300 121.553 1.747 1
1 337 . 3 1 1 A 29 29 CYS H H 29 9.160 9.309 -0.149 1
1 338 . 3 1 1 A 29 29 CYS HA H 29 4.250 4.563 -0.313 1
1 341 . 3 1 1 A 29 29 CYS C C 29 176.700 174.828 1.872 1
1 342 . 3 1 1 A 29 29 CYS CA C 29 62.000 59.972 2.028 1
1 343 . 3 1 1 A 29 29 CYS CB C 29 30.400 28.152 2.248 1
1 344 . 3 1 1 A 29 29 CYS N N 29 130.800 125.984 4.816 1
1 345 . 3 1 1 A 30 30 THR H H 30 7.840 8.929 -1.089 1
1 346 . 3 1 1 A 30 30 THR HA H 30 4.280 4.723 -0.443 1
1 351 . 3 1 1 A 30 30 THR C C 30 175.300 174.739 0.561 1
1 352 . 3 1 1 A 30 30 THR CA C 30 62.400 62.234 0.166 1
1 353 . 3 1 1 A 30 30 THR CB C 30 70.500 70.248 0.252 1
1 355 . 3 1 1 A 30 30 THR N N 30 118.800 121.711 -2.911 1
1 356 . 3 1 1 A 31 31 GLY H H 31 10.310 8.638 1.672 1
1 357 . 3 1 1 A 31 31 GLY HA2 H 31 3.710 4.134 -0.424 1
1 358 . 3 1 1 A 31 31 GLY HA3 H 31 3.960 4.140 -0.180 1
1 359 . 3 1 1 A 31 31 GLY C C 31 175.900 174.169 1.731 1
1 360 . 3 1 1 A 31 31 GLY CA C 31 45.300 44.757 0.543 1
1 361 . 3 1 1 A 31 31 GLY N N 31 120.100 111.682 8.418 1
1 362 . 3 1 1 A 32 32 GLN H H 32 8.940 8.773 0.167 1
1 363 . 3 1 1 A 32 32 GLN HA H 32 3.990 4.156 -0.166 1
1 370 . 3 1 1 A 32 32 GLN C C 32 176.400 176.725 -0.325 1
1 371 . 3 1 1 A 32 32 GLN CA C 32 58.200 57.600 0.600 1
1 372 . 3 1 1 A 32 32 GLN CB C 32 28.800 28.278 0.522 1
1 375 . 3 1 1 A 32 32 GLN N N 32 127.200 120.345 6.855 1
1 377 . 3 1 1 A 33 33 ASP H H 33 8.560 7.957 0.603 1
1 378 . 3 1 1 A 33 33 ASP HA H 33 4.610 4.620 -0.010 1
1 381 . 3 1 1 A 33 33 ASP C C 33 174.500 175.741 -1.241 1
1 382 . 3 1 1 A 33 33 ASP CA C 33 54.000 55.156 -1.156 1
1 383 . 3 1 1 A 33 33 ASP CB C 33 40.400 41.008 -0.608 1
1 384 . 3 1 1 A 33 33 ASP N N 33 117.200 119.333 -2.133 1
1 385 . 3 1 1 A 34 34 CYS H H 34 7.330 7.784 -0.454 1
1 386 . 3 1 1 A 34 34 CYS HA H 34 4.480 4.919 -0.439 1
1 389 . 3 1 1 A 34 34 CYS C C 34 175.500 174.644 0.856 1
1 390 . 3 1 1 A 34 34 CYS CA C 34 60.100 58.570 1.530 1
1 391 . 3 1 1 A 34 34 CYS CB C 34 31.200 29.608 1.592 1
1 392 . 3 1 1 A 34 34 CYS N N 34 123.800 116.541 7.259 1
1 393 . 3 1 1 A 35 35 GLY H H 35 8.020 8.279 -0.259 1
1 394 . 3 1 1 A 35 35 GLY HA2 H 35 3.940 4.000 -0.060 1
1 395 . 3 1 1 A 35 35 GLY HA3 H 35 4.240 4.006 0.234 1
1 396 . 3 1 1 A 35 35 GLY C C 35 173.900 174.729 -0.829 1
1 397 . 3 1 1 A 35 35 GLY CA C 35 46.900 45.238 1.662 1
1 398 . 3 1 1 A 35 35 GLY N N 35 108.700 109.432 -0.732 1
1 399 . 3 1 1 A 36 36 LEU H H 36 7.430 7.913 -0.483 1
1 400 . 3 1 1 A 36 36 LEU HA H 36 3.930 4.080 -0.150 1
1 410 . 3 1 1 A 36 36 LEU C C 36 173.800 175.329 -1.529 1
1 411 . 3 1 1 A 36 36 LEU CA C 36 56.400 55.472 0.928 1
1 412 . 3 1 1 A 36 36 LEU CB C 36 43.300 42.249 1.051 1
1 416 . 3 1 1 A 36 36 LEU N N 36 121.100 122.983 -1.883 1
1 417 . 3 1 1 A 37 37 ALA H H 37 7.990 8.598 -0.608 1
1 418 . 3 1 1 A 37 37 ALA HA H 37 5.240 5.222 0.018 1
1 422 . 3 1 1 A 37 37 ALA C C 37 176.700 174.823 1.877 1
1 423 . 3 1 1 A 37 37 ALA CA C 37 49.800 49.799 0.001 1
1 424 . 3 1 1 A 37 37 ALA CB C 37 22.200 22.159 0.041 1
1 425 . 3 1 1 A 37 37 ALA N N 37 119.900 123.147 -3.247 1
1 426 . 3 1 1 A 38 38 TYR H H 38 9.740 9.027 0.713 1
1 427 . 3 1 1 A 38 38 TYR HA H 38 4.730 5.057 -0.327 1
1 434 . 3 1 1 A 38 38 TYR CA C 38 55.900 55.054 0.846 1
1 435 . 3 1 1 A 38 38 TYR CB C 38 38.800 39.388 -0.588 1
1 440 . 3 1 1 A 38 38 TYR N N 38 125.300 120.427 4.873 1
1 441 . 3 1 1 A 39 39 PRO HA H 39 4.700 4.647 0.053 1
1 448 . 3 1 1 A 39 39 PRO C C 39 175.100 175.250 -0.150 1
1 449 . 3 1 1 A 39 39 PRO CA C 39 63.100 62.369 0.731 1
1 450 . 3 1 1 A 39 39 PRO CB C 39 32.900 32.819 0.081 1
1 453 . 3 1 1 A 40 40 VAL H H 40 7.830 8.417 -0.587 1
1 454 . 3 1 1 A 40 40 VAL HA H 40 4.190 4.668 -0.478 1
1 462 . 3 1 1 A 40 40 VAL C C 40 176.300 175.197 1.103 1
1 463 . 3 1 1 A 40 40 VAL CA C 40 62.100 60.875 1.225 1
1 464 . 3 1 1 A 40 40 VAL CB C 40 32.300 33.294 -0.994 1
1 467 . 3 1 1 A 40 40 VAL N N 40 119.300 119.846 -0.546 1
1 468 . 3 1 1 A 41 41 ARG H H 41 8.410 9.317 -0.907 1
1 469 . 3 1 1 A 41 41 ARG HA H 41 4.680 4.781 -0.101 1
1 476 . 3 1 1 A 41 41 ARG C C 41 175.900 176.054 -0.154 1
1 477 . 3 1 1 A 41 41 ARG CA C 41 55.100 54.131 0.969 1
1 478 . 3 1 1 A 41 41 ARG CB C 41 32.200 32.869 -0.669 1
1 481 . 3 1 1 A 41 41 ARG N N 41 127.400 126.392 1.008 1
1 482 . 3 1 1 A 42 42 ASP H H 42 9.440 9.458 -0.018 1
1 483 . 3 1 1 A 42 42 ASP HA H 42 4.270 4.285 -0.015 1
1 486 . 3 1 1 A 42 42 ASP C C 42 175.800 175.419 0.381 1
1 487 . 3 1 1 A 42 42 ASP CA C 42 55.400 55.060 0.340 1
1 488 . 3 1 1 A 42 42 ASP CB C 42 39.700 39.713 -0.013 1
1 489 . 3 1 1 A 42 42 ASP N N 42 127.200 124.614 2.586 1
1 490 . 3 1 1 A 43 43 GLY H H 43 8.390 8.631 -0.241 1
1 491 . 3 1 1 A 43 43 GLY HA2 H 43 3.420 3.834 -0.414 1
1 492 . 3 1 1 A 43 43 GLY HA3 H 43 4.100 3.836 0.264 1
1 493 . 3 1 1 A 43 43 GLY C C 43 173.400 173.780 -0.380 1
1 494 . 3 1 1 A 43 43 GLY CA C 43 45.200 45.486 -0.286 1
1 495 . 3 1 1 A 43 43 GLY N N 43 102.300 103.769 -1.469 1
1 496 . 3 1 1 A 44 44 ILE H H 44 7.760 8.292 -0.532 1
1 497 . 3 1 1 A 44 44 ILE HA H 44 4.610 4.485 0.125 1
1 507 . 3 1 1 A 44 44 ILE CA C 44 57.300 57.748 -0.448 1
1 508 . 3 1 1 A 44 44 ILE CB C 44 39.500 40.315 -0.815 1
1 512 . 3 1 1 A 44 44 ILE N N 44 121.900 122.103 -0.203 1
1 513 . 3 1 1 A 45 45 PRO HA H 45 4.570 4.574 -0.004 1
1 520 . 3 1 1 A 45 45 PRO C C 45 175.900 175.664 0.236 1
1 521 . 3 1 1 A 45 45 PRO CA C 45 62.600 62.504 0.096 1
1 522 . 3 1 1 A 45 45 PRO CB C 45 32.400 32.275 0.125 1
1 525 . 3 1 1 A 46 46 VAL H H 46 8.790 8.619 0.171 1
1 526 . 3 1 1 A 46 46 VAL HA H 46 4.050 4.220 -0.170 1
1 534 . 3 1 1 A 46 46 VAL C C 46 175.200 176.145 -0.945 1
1 535 . 3 1 1 A 46 46 VAL CA C 46 61.700 61.826 -0.126 1
1 536 . 3 1 1 A 46 46 VAL CB C 46 30.800 31.422 -0.622 1
1 539 . 3 1 1 A 46 46 VAL N N 46 127.200 121.983 5.217 1
1 540 . 3 1 1 A 47 47 LEU H H 47 8.100 8.842 -0.742 1
1 541 . 3 1 1 A 47 47 LEU HA H 47 4.210 4.487 -0.277 1
1 551 . 3 1 1 A 47 47 LEU C C 47 175.600 175.751 -0.151 1
1 552 . 3 1 1 A 47 47 LEU CA C 47 52.700 53.813 -1.113 1
1 553 . 3 1 1 A 47 47 LEU CB C 47 39.400 41.115 -1.715 1
1 557 . 3 1 1 A 47 47 LEU N N 47 127.100 127.760 -0.660 1
1 558 . 3 1 1 A 48 48 LEU H H 48 7.370 7.579 -0.209 1
1 559 . 3 1 1 A 48 48 LEU HA H 48 4.830 4.615 0.215 1
1 569 . 3 1 1 A 48 48 LEU C C 48 177.900 177.109 0.791 1
1 570 . 3 1 1 A 48 48 LEU CA C 48 52.800 53.315 -0.515 1
1 571 . 3 1 1 A 48 48 LEU CB C 48 44.200 43.769 0.431 1
1 575 . 3 1 1 A 48 48 LEU N N 48 121.200 120.696 0.504 1
1 576 . 3 1 1 A 49 49 VAL H H 49 9.020 8.640 0.380 1
1 577 . 3 1 1 A 49 49 VAL HA H 49 3.790 3.743 0.047 1
1 585 . 3 1 1 A 49 49 VAL C C 49 178.100 177.115 0.985 1
1 586 . 3 1 1 A 49 49 VAL CA C 49 66.700 66.439 0.261 1
1 587 . 3 1 1 A 49 49 VAL CB C 49 31.900 31.865 0.035 1
1 590 . 3 1 1 A 49 49 VAL N N 49 124.600 122.407 2.193 1
1 591 . 3 1 1 A 50 50 ASP H H 50 8.750 8.185 0.565 1
1 592 . 3 1 1 A 50 50 ASP HA H 50 4.490 4.392 0.098 1
1 595 . 3 1 1 A 50 50 ASP C C 50 176.900 178.240 -1.340 1
1 596 . 3 1 1 A 50 50 ASP CA C 50 56.200 57.618 -1.418 1
1 597 . 3 1 1 A 50 50 ASP CB C 50 40.400 40.073 0.327 1
1 598 . 3 1 1 A 50 50 ASP N N 50 117.300 120.174 -2.874 1
1 599 . 3 1 1 A 51 51 GLU H H 51 7.500 7.545 -0.045 1
1 600 . 3 1 1 A 51 51 GLU HA H 51 4.470 4.438 0.032 1
1 605 . 3 1 1 A 51 51 GLU C C 51 175.300 176.256 -0.956 1
1 606 . 3 1 1 A 51 51 GLU CA C 51 55.600 56.255 -0.655 1
1 607 . 3 1 1 A 51 51 GLU CB C 51 30.300 30.294 0.006 1
1 609 . 3 1 1 A 51 51 GLU N N 51 116.100 115.630 0.470 1
1 610 . 3 1 1 A 52 52 ALA H H 52 7.370 7.257 0.113 1
1 611 . 3 1 1 A 52 52 ALA HA H 52 4.360 4.360 0.000 1
1 615 . 3 1 1 A 52 52 ALA C C 52 177.100 177.306 -0.206 1
1 616 . 3 1 1 A 52 52 ALA CA C 52 51.900 52.888 -0.988 1
1 617 . 3 1 1 A 52 52 ALA CB C 52 20.900 19.244 1.656 1
1 618 . 3 1 1 A 52 52 ALA N N 52 122.000 123.672 -1.672 1
1 619 . 3 1 1 A 53 53 ARG H H 53 8.880 8.810 0.070 1
1 620 . 3 1 1 A 53 53 ARG HA H 53 4.560 4.660 -0.100 1
1 628 . 3 1 1 A 53 53 ARG C C 53 175.800 176.466 -0.666 1
1 629 . 3 1 1 A 53 53 ARG CA C 53 54.900 54.474 0.426 1
1 630 . 3 1 1 A 53 53 ARG CB C 53 32.500 32.185 0.315 1
1 633 . 3 1 1 A 53 53 ARG N N 53 121.500 121.236 0.264 1
1 635 . 3 1 1 A 54 54 ARG H H 54 8.780 8.356 0.424 1
1 636 . 3 1 1 A 54 54 ARG HA H 54 4.560 4.337 0.223 1
1 643 . 3 1 1 A 54 54 ARG CA C 54 54.000 54.827 -0.827 1
1 644 . 3 1 1 A 54 54 ARG CB C 54 30.100 29.642 0.458 1
1 647 . 3 1 1 A 54 54 ARG N N 54 127.200 122.260 4.940 1
1 648 . 3 1 1 A 55 55 PRO HA H 55 4.380 4.526 -0.146 1
1 655 . 3 1 1 A 55 55 PRO C C 55 176.000 177.297 -1.297 1
1 656 . 3 1 1 A 55 55 PRO CA C 55 63.500 63.766 -0.266 1
1 657 . 3 1 1 A 55 55 PRO CB C 55 32.000 31.807 0.193 1
1 3 . 4 1 1 A 2 2 PRO HA H 2 4.460 4.438 0.022 1
1 10 . 4 1 1 A 2 2 PRO C C 2 176.800 176.738 0.062 1
1 11 . 4 1 1 A 2 2 PRO CA C 2 63.100 63.955 -0.855 1
1 12 . 4 1 1 A 2 2 PRO CB C 2 32.100 32.161 -0.061 1
1 15 . 4 1 1 A 3 3 LEU H H 3 8.520 8.499 0.021 1
1 16 . 4 1 1 A 3 3 LEU HA H 3 4.260 4.006 0.254 1
1 26 . 4 1 1 A 3 3 LEU C C 3 177.700 176.675 1.025 1
1 27 . 4 1 1 A 3 3 LEU CA C 3 55.400 55.782 -0.382 1
1 28 . 4 1 1 A 3 3 LEU CB C 3 42.500 40.871 1.629 1
1 32 . 4 1 1 A 3 3 LEU N N 3 122.400 118.155 4.245 1
1 33 . 4 1 1 A 4 4 GLU H H 4 8.430 8.887 -0.457 1
1 34 . 4 1 1 A 4 4 GLU HA H 4 4.200 4.454 -0.254 1
1 39 . 4 1 1 A 4 4 GLU C C 4 176.400 176.568 -0.168 1
1 40 . 4 1 1 A 4 4 GLU CA C 4 56.600 56.993 -0.393 1
1 41 . 4 1 1 A 4 4 GLU CB C 4 30.200 30.007 0.193 1
1 43 . 4 1 1 A 4 4 GLU N N 4 122.100 124.566 -2.466 1
1 44 . 4 1 1 A 5 5 ALA H H 5 8.420 7.424 0.996 1
1 45 . 4 1 1 A 5 5 ALA HA H 5 4.210 4.280 -0.070 1
1 49 . 4 1 1 A 5 5 ALA C C 5 178.700 177.806 0.894 1
1 50 . 4 1 1 A 5 5 ALA CA C 5 53.500 52.398 1.102 1
1 51 . 4 1 1 A 5 5 ALA CB C 5 19.000 19.428 -0.428 1
1 52 . 4 1 1 A 5 5 ALA N N 5 125.900 123.594 2.306 1
1 53 . 4 1 1 A 6 6 GLY H H 6 8.530 8.752 -0.222 1
1 54 . 4 1 1 A 6 6 GLY HA2 H 6 3.910 3.977 -0.067 1
1 55 . 4 1 1 A 6 6 GLY HA3 H 6 3.950 3.978 -0.028 1
1 56 . 4 1 1 A 6 6 GLY C C 6 174.700 174.585 0.115 1
1 57 . 4 1 1 A 6 6 GLY CA C 6 45.600 45.567 0.033 1
1 58 . 4 1 1 A 6 6 GLY N N 6 108.100 109.306 -1.206 1
1 59 . 4 1 1 A 7 7 LEU H H 7 7.850 8.563 -0.713 1
1 60 . 4 1 1 A 7 7 LEU HA H 7 4.300 4.008 0.292 1
1 70 . 4 1 1 A 7 7 LEU C C 7 177.700 176.058 1.642 1
1 71 . 4 1 1 A 7 7 LEU CA C 7 55.800 55.563 0.237 1
1 72 . 4 1 1 A 7 7 LEU CB C 7 42.500 41.051 1.449 1
1 76 . 4 1 1 A 7 7 LEU N N 7 121.300 121.409 -0.109 1
1 77 . 4 1 1 A 8 8 LEU H H 8 8.190 8.351 -0.161 1
1 78 . 4 1 1 A 8 8 LEU HA H 8 4.160 4.260 -0.100 1
1 88 . 4 1 1 A 8 8 LEU C C 8 177.700 176.973 0.727 1
1 89 . 4 1 1 A 8 8 LEU CA C 8 56.100 55.445 0.655 1
1 90 . 4 1 1 A 8 8 LEU CB C 8 42.100 42.538 -0.438 1
1 94 . 4 1 1 A 8 8 LEU N N 8 120.600 124.989 -4.389 1
1 95 . 4 1 1 A 9 9 GLU H H 9 8.150 8.565 -0.415 1
1 96 . 4 1 1 A 9 9 GLU HA H 9 4.240 4.392 -0.152 1
1 101 . 4 1 1 A 9 9 GLU C C 9 176.400 176.799 -0.399 1
1 102 . 4 1 1 A 9 9 GLU CA C 9 57.000 56.714 0.286 1
1 103 . 4 1 1 A 9 9 GLU CB C 9 30.200 30.291 -0.091 1
1 105 . 4 1 1 A 9 9 GLU N N 9 118.800 122.342 -3.542 1
1 106 . 4 1 1 A 10 10 ILE H H 10 7.860 8.608 -0.748 1
1 107 . 4 1 1 A 10 10 ILE HA H 10 4.280 4.817 -0.537 1
1 117 . 4 1 1 A 10 10 ILE C C 10 176.100 175.751 0.349 1
1 118 . 4 1 1 A 10 10 ILE CA C 10 60.800 59.196 1.604 1
1 119 . 4 1 1 A 10 10 ILE CB C 10 38.900 39.529 -0.629 1
1 123 . 4 1 1 A 10 10 ILE N N 10 118.600 119.211 -0.611 1
1 124 . 4 1 1 A 11 11 LEU H H 11 8.250 8.590 -0.340 1
1 125 . 4 1 1 A 11 11 LEU HA H 11 4.380 4.388 -0.008 1
1 135 . 4 1 1 A 11 11 LEU C C 11 175.200 175.975 -0.775 1
1 136 . 4 1 1 A 11 11 LEU CA C 11 54.400 54.916 -0.516 1
1 137 . 4 1 1 A 11 11 LEU CB C 11 43.400 42.529 0.871 1
1 141 . 4 1 1 A 11 11 LEU N N 11 125.900 122.798 3.102 1
1 142 . 4 1 1 A 12 12 ALA H H 12 7.920 8.326 -0.406 1
1 143 . 4 1 1 A 12 12 ALA HA H 12 4.620 5.070 -0.450 1
1 147 . 4 1 1 A 12 12 ALA C C 12 175.700 175.560 0.140 1
1 148 . 4 1 1 A 12 12 ALA CA C 12 50.100 50.504 -0.404 1
1 149 . 4 1 1 A 12 12 ALA CB C 12 22.000 22.930 -0.930 1
1 150 . 4 1 1 A 12 12 ALA N N 12 123.700 121.336 2.364 1
1 151 . 4 1 1 A 13 13 CYS H H 13 9.310 8.422 0.888 1
1 152 . 4 1 1 A 13 13 CYS HA H 13 4.130 4.733 -0.603 1
1 155 . 4 1 1 A 13 13 CYS CA C 13 56.900 57.638 -0.738 1
1 156 . 4 1 1 A 13 13 CYS CB C 13 31.600 27.735 3.865 1
1 157 . 4 1 1 A 13 13 CYS N N 13 124.400 120.496 3.904 1
1 158 . 4 1 1 A 14 14 PRO HA H 14 4.340 4.428 -0.088 1
1 165 . 4 1 1 A 14 14 PRO C C 14 176.300 177.007 -0.707 1
1 166 . 4 1 1 A 14 14 PRO CA C 14 64.200 63.594 0.606 1
1 167 . 4 1 1 A 14 14 PRO CB C 14 31.800 32.290 -0.490 1
1 170 . 4 1 1 A 15 15 ALA H H 15 8.690 8.585 0.105 1
1 171 . 4 1 1 A 15 15 ALA HA H 15 4.340 3.913 0.427 1
1 175 . 4 1 1 A 15 15 ALA C C 15 178.300 178.078 0.222 1
1 176 . 4 1 1 A 15 15 ALA CA C 15 54.300 55.089 -0.789 1
1 177 . 4 1 1 A 15 15 ALA CB C 15 20.100 17.797 2.303 1
1 178 . 4 1 1 A 15 15 ALA N N 15 123.400 120.111 3.289 1
1 179 . 4 1 1 A 16 16 CYS H H 16 8.290 8.574 -0.284 1
1 180 . 4 1 1 A 16 16 CYS HA H 16 4.860 4.387 0.473 1
1 183 . 4 1 1 A 16 16 CYS C C 16 176.700 175.157 1.543 1
1 184 . 4 1 1 A 16 16 CYS CA C 16 58.800 61.060 -2.260 1
1 185 . 4 1 1 A 16 16 CYS CB C 16 32.600 28.552 4.048 1
1 186 . 4 1 1 A 16 16 CYS N N 16 117.000 115.168 1.832 1
1 187 . 4 1 1 A 17 17 HIS H H 17 8.300 7.864 0.436 1
1 188 . 4 1 1 A 17 17 HIS HA H 17 4.440 4.463 -0.023 1
1 193 . 4 1 1 A 17 17 HIS C C 17 173.000 173.884 -0.884 1
1 194 . 4 1 1 A 17 17 HIS CA C 17 57.700 56.892 0.808 1
1 195 . 4 1 1 A 17 17 HIS CB C 17 26.500 28.110 -1.610 1
1 198 . 4 1 1 A 17 17 HIS N N 17 117.800 118.911 -1.111 1
1 199 . 4 1 1 A 18 18 ALA H H 18 9.080 7.452 1.628 1
1 200 . 4 1 1 A 18 18 ALA HA H 18 4.640 4.472 0.168 1
1 204 . 4 1 1 A 18 18 ALA CA C 18 52.100 50.541 1.559 1
1 205 . 4 1 1 A 18 18 ALA CB C 18 19.000 21.817 -2.817 1
1 206 . 4 1 1 A 18 18 ALA N N 18 127.600 122.914 4.686 1
1 207 . 4 1 1 A 19 19 PRO HA H 19 4.540 4.461 0.079 1
1 214 . 4 1 1 A 19 19 PRO C C 19 177.000 175.765 1.235 1
1 215 . 4 1 1 A 19 19 PRO CA C 19 63.300 62.709 0.591 1
1 216 . 4 1 1 A 19 19 PRO CB C 19 32.500 32.299 0.201 1
1 219 . 4 1 1 A 20 20 LEU H H 20 8.450 8.456 -0.006 1
1 220 . 4 1 1 A 20 20 LEU HA H 20 5.050 5.005 0.045 1
1 230 . 4 1 1 A 20 20 LEU C C 20 176.700 175.734 0.966 1
1 231 . 4 1 1 A 20 20 LEU CA C 20 53.300 53.058 0.242 1
1 232 . 4 1 1 A 20 20 LEU CB C 20 44.800 44.717 0.083 1
1 236 . 4 1 1 A 20 20 LEU N N 20 121.400 121.885 -0.485 1
1 237 . 4 1 1 A 21 21 GLU H H 21 9.030 9.480 -0.450 1
1 238 . 4 1 1 A 21 21 GLU HA H 21 4.660 4.884 -0.224 1
1 243 . 4 1 1 A 21 21 GLU C C 21 175.100 175.472 -0.372 1
1 244 . 4 1 1 A 21 21 GLU CA C 21 54.100 54.983 -0.883 1
1 245 . 4 1 1 A 21 21 GLU CB C 21 33.000 31.528 1.472 1
1 247 . 4 1 1 A 21 21 GLU N N 21 120.700 121.876 -1.176 1
1 248 . 4 1 1 A 22 22 GLU H H 22 8.950 8.997 -0.047 1
1 249 . 4 1 1 A 22 22 GLU HA H 22 4.630 4.793 -0.163 1
1 254 . 4 1 1 A 22 22 GLU C C 22 176.000 176.108 -0.108 1
1 255 . 4 1 1 A 22 22 GLU CA C 22 56.800 56.224 0.576 1
1 256 . 4 1 1 A 22 22 GLU CB C 22 30.200 31.042 -0.842 1
1 258 . 4 1 1 A 22 22 GLU N N 22 125.900 124.758 1.142 1
1 259 . 4 1 1 A 23 23 ARG H H 23 8.830 9.147 -0.317 1
1 260 . 4 1 1 A 23 23 ARG HA H 23 4.500 4.881 -0.381 1
1 267 . 4 1 1 A 23 23 ARG C C 23 175.000 175.832 -0.832 1
1 268 . 4 1 1 A 23 23 ARG CA C 23 55.600 53.849 1.751 1
1 269 . 4 1 1 A 23 23 ARG CB C 23 32.100 33.729 -1.629 1
1 272 . 4 1 1 A 23 23 ARG N N 23 128.000 124.380 3.620 1
1 273 . 4 1 1 A 24 24 ASP H H 24 9.150 8.840 0.310 1
1 274 . 4 1 1 A 24 24 ASP HA H 24 4.180 4.537 -0.357 1
1 277 . 4 1 1 A 24 24 ASP C C 24 174.900 175.708 -0.808 1
1 278 . 4 1 1 A 24 24 ASP CA C 24 56.600 55.908 0.692 1
1 279 . 4 1 1 A 24 24 ASP CB C 24 39.600 40.031 -0.431 1
1 280 . 4 1 1 A 24 24 ASP N N 24 126.000 123.652 2.348 1
1 281 . 4 1 1 A 25 25 ALA H H 25 8.480 8.360 0.120 1
1 282 . 4 1 1 A 25 25 ALA HA H 25 4.370 4.515 -0.145 1
1 286 . 4 1 1 A 25 25 ALA C C 25 175.700 176.395 -0.695 1
1 287 . 4 1 1 A 25 25 ALA CA C 25 52.600 51.464 1.136 1
1 288 . 4 1 1 A 25 25 ALA CB C 25 18.100 19.143 -1.043 1
1 289 . 4 1 1 A 25 25 ALA N N 25 122.800 127.734 -4.934 1
1 290 . 4 1 1 A 26 26 GLU H H 26 7.770 7.845 -0.075 1
1 291 . 4 1 1 A 26 26 GLU HA H 26 5.100 4.917 0.183 1
1 296 . 4 1 1 A 26 26 GLU C C 26 174.600 174.057 0.543 1
1 297 . 4 1 1 A 26 26 GLU CA C 26 54.700 55.556 -0.856 1
1 298 . 4 1 1 A 26 26 GLU CB C 26 35.100 33.487 1.613 1
1 300 . 4 1 1 A 26 26 GLU N N 26 116.600 119.333 -2.733 1
1 301 . 4 1 1 A 27 27 LEU H H 27 9.190 9.398 -0.208 1
1 302 . 4 1 1 A 27 27 LEU HA H 27 5.010 5.381 -0.371 1
1 312 . 4 1 1 A 27 27 LEU C C 27 175.500 175.685 -0.185 1
1 313 . 4 1 1 A 27 27 LEU CA C 27 53.200 53.396 -0.196 1
1 314 . 4 1 1 A 27 27 LEU CB C 27 44.400 44.522 -0.122 1
1 318 . 4 1 1 A 27 27 LEU N N 27 120.900 126.294 -5.394 1
1 319 . 4 1 1 A 28 28 ILE H H 28 9.480 9.729 -0.249 1
1 320 . 4 1 1 A 28 28 ILE HA H 28 4.770 4.635 0.135 1
1 330 . 4 1 1 A 28 28 ILE C C 28 175.300 175.560 -0.260 1
1 331 . 4 1 1 A 28 28 ILE CA C 28 60.000 59.844 0.156 1
1 332 . 4 1 1 A 28 28 ILE CB C 28 39.700 40.774 -1.074 1
1 336 . 4 1 1 A 28 28 ILE N N 28 123.300 123.444 -0.144 1
1 337 . 4 1 1 A 29 29 CYS H H 29 9.160 9.230 -0.070 1
1 338 . 4 1 1 A 29 29 CYS HA H 29 4.250 4.688 -0.438 1
1 341 . 4 1 1 A 29 29 CYS C C 29 176.700 174.822 1.878 1
1 342 . 4 1 1 A 29 29 CYS CA C 29 62.000 58.797 3.203 1
1 343 . 4 1 1 A 29 29 CYS CB C 29 30.400 27.400 3.000 1
1 344 . 4 1 1 A 29 29 CYS N N 29 130.800 126.220 4.580 1
1 345 . 4 1 1 A 30 30 THR H H 30 7.840 8.966 -1.126 1
1 346 . 4 1 1 A 30 30 THR HA H 30 4.280 5.280 -1.000 1
1 351 . 4 1 1 A 30 30 THR C C 30 175.300 174.437 0.863 1
1 352 . 4 1 1 A 30 30 THR CA C 30 62.400 60.186 2.214 1
1 353 . 4 1 1 A 30 30 THR CB C 30 70.500 70.754 -0.254 1
1 355 . 4 1 1 A 30 30 THR N N 30 118.800 120.202 -1.402 1
1 356 . 4 1 1 A 31 31 GLY H H 31 10.310 8.403 1.907 1
1 357 . 4 1 1 A 31 31 GLY HA2 H 31 3.710 4.217 -0.507 1
1 358 . 4 1 1 A 31 31 GLY HA3 H 31 3.960 4.221 -0.261 1
1 359 . 4 1 1 A 31 31 GLY C C 31 175.900 174.409 1.491 1
1 360 . 4 1 1 A 31 31 GLY CA C 31 45.300 45.878 -0.578 1
1 361 . 4 1 1 A 31 31 GLY N N 31 120.100 111.976 8.124 1
1 362 . 4 1 1 A 32 32 GLN H H 32 8.940 8.729 0.211 1
1 363 . 4 1 1 A 32 32 GLN HA H 32 3.990 4.009 -0.019 1
1 370 . 4 1 1 A 32 32 GLN C C 32 176.400 176.934 -0.534 1
1 371 . 4 1 1 A 32 32 GLN CA C 32 58.200 58.150 0.050 1
1 372 . 4 1 1 A 32 32 GLN CB C 32 28.800 29.252 -0.452 1
1 375 . 4 1 1 A 32 32 GLN N N 32 127.200 120.529 6.671 1
1 377 . 4 1 1 A 33 33 ASP H H 33 8.560 7.665 0.895 1
1 378 . 4 1 1 A 33 33 ASP HA H 33 4.610 4.747 -0.137 1
1 381 . 4 1 1 A 33 33 ASP C C 33 174.500 176.210 -1.710 1
1 382 . 4 1 1 A 33 33 ASP CA C 33 54.000 54.213 -0.213 1
1 383 . 4 1 1 A 33 33 ASP CB C 33 40.400 41.789 -1.389 1
1 384 . 4 1 1 A 33 33 ASP N N 33 117.200 117.148 0.052 1
1 385 . 4 1 1 A 34 34 CYS H H 34 7.330 7.624 -0.294 1
1 386 . 4 1 1 A 34 34 CYS HA H 34 4.480 4.488 -0.008 1
1 389 . 4 1 1 A 34 34 CYS C C 34 175.500 175.559 -0.059 1
1 390 . 4 1 1 A 34 34 CYS CA C 34 60.100 59.731 0.369 1
1 391 . 4 1 1 A 34 34 CYS CB C 34 31.200 29.411 1.789 1
1 392 . 4 1 1 A 34 34 CYS N N 34 123.800 118.810 4.990 1
1 393 . 4 1 1 A 35 35 GLY H H 35 8.020 8.772 -0.752 1
1 394 . 4 1 1 A 35 35 GLY HA2 H 35 3.940 3.997 -0.057 1
1 395 . 4 1 1 A 35 35 GLY HA3 H 35 4.240 4.005 0.235 1
1 396 . 4 1 1 A 35 35 GLY C C 35 173.900 174.962 -1.062 1
1 397 . 4 1 1 A 35 35 GLY CA C 35 46.900 45.372 1.528 1
1 398 . 4 1 1 A 35 35 GLY N N 35 108.700 112.495 -3.795 1
1 399 . 4 1 1 A 36 36 LEU H H 36 7.430 7.949 -0.519 1
1 400 . 4 1 1 A 36 36 LEU HA H 36 3.930 4.315 -0.385 1
1 410 . 4 1 1 A 36 36 LEU C C 36 173.800 175.710 -1.910 1
1 411 . 4 1 1 A 36 36 LEU CA C 36 56.400 55.060 1.340 1
1 412 . 4 1 1 A 36 36 LEU CB C 36 43.300 42.243 1.057 1
1 416 . 4 1 1 A 36 36 LEU N N 36 121.100 122.495 -1.395 1
1 417 . 4 1 1 A 37 37 ALA H H 37 7.990 8.549 -0.559 1
1 418 . 4 1 1 A 37 37 ALA HA H 37 5.240 5.253 -0.013 1
1 422 . 4 1 1 A 37 37 ALA C C 37 176.700 174.690 2.010 1
1 423 . 4 1 1 A 37 37 ALA CA C 37 49.800 50.200 -0.400 1
1 424 . 4 1 1 A 37 37 ALA CB C 37 22.200 22.300 -0.100 1
1 425 . 4 1 1 A 37 37 ALA N N 37 119.900 122.114 -2.214 1
1 426 . 4 1 1 A 38 38 TYR H H 38 9.740 9.507 0.233 1
1 427 . 4 1 1 A 38 38 TYR HA H 38 4.730 4.968 -0.238 1
1 434 . 4 1 1 A 38 38 TYR CA C 38 55.900 55.287 0.613 1
1 435 . 4 1 1 A 38 38 TYR CB C 38 38.800 40.774 -1.974 1
1 440 . 4 1 1 A 38 38 TYR N N 38 125.300 120.340 4.960 1
1 441 . 4 1 1 A 39 39 PRO HA H 39 4.700 4.680 0.020 1
1 448 . 4 1 1 A 39 39 PRO C C 39 175.100 175.343 -0.243 1
1 449 . 4 1 1 A 39 39 PRO CA C 39 63.100 62.363 0.737 1
1 450 . 4 1 1 A 39 39 PRO CB C 39 32.900 32.617 0.283 1
1 453 . 4 1 1 A 40 40 VAL H H 40 7.830 8.283 -0.453 1
1 454 . 4 1 1 A 40 40 VAL HA H 40 4.190 4.491 -0.301 1
1 462 . 4 1 1 A 40 40 VAL C C 40 176.300 174.863 1.437 1
1 463 . 4 1 1 A 40 40 VAL CA C 40 62.100 61.140 0.960 1
1 464 . 4 1 1 A 40 40 VAL CB C 40 32.300 33.141 -0.841 1
1 467 . 4 1 1 A 40 40 VAL N N 40 119.300 120.620 -1.320 1
1 468 . 4 1 1 A 41 41 ARG H H 41 8.410 9.259 -0.849 1
1 469 . 4 1 1 A 41 41 ARG HA H 41 4.680 4.719 -0.039 1
1 476 . 4 1 1 A 41 41 ARG C C 41 175.900 176.418 -0.518 1
1 477 . 4 1 1 A 41 41 ARG CA C 41 55.100 54.562 0.538 1
1 478 . 4 1 1 A 41 41 ARG CB C 41 32.200 30.336 1.864 1
1 481 . 4 1 1 A 41 41 ARG N N 41 127.400 126.376 1.024 1
1 482 . 4 1 1 A 42 42 ASP H H 42 9.440 9.327 0.113 1
1 483 . 4 1 1 A 42 42 ASP HA H 42 4.270 4.265 0.005 1
1 486 . 4 1 1 A 42 42 ASP C C 42 175.800 175.181 0.619 1
1 487 . 4 1 1 A 42 42 ASP CA C 42 55.400 55.067 0.333 1
1 488 . 4 1 1 A 42 42 ASP CB C 42 39.700 39.971 -0.271 1
1 489 . 4 1 1 A 42 42 ASP N N 42 127.200 124.782 2.418 1
1 490 . 4 1 1 A 43 43 GLY H H 43 8.390 8.557 -0.167 1
1 491 . 4 1 1 A 43 43 GLY HA2 H 43 3.420 3.816 -0.396 1
1 492 . 4 1 1 A 43 43 GLY HA3 H 43 4.100 3.817 0.283 1
1 493 . 4 1 1 A 43 43 GLY C C 43 173.400 173.770 -0.370 1
1 494 . 4 1 1 A 43 43 GLY CA C 43 45.200 45.472 -0.272 1
1 495 . 4 1 1 A 43 43 GLY N N 43 102.300 104.547 -2.247 1
1 496 . 4 1 1 A 44 44 ILE H H 44 7.760 8.155 -0.395 1
1 497 . 4 1 1 A 44 44 ILE HA H 44 4.610 4.344 0.266 1
1 507 . 4 1 1 A 44 44 ILE CA C 44 57.300 58.003 -0.703 1
1 508 . 4 1 1 A 44 44 ILE CB C 44 39.500 39.022 0.478 1
1 512 . 4 1 1 A 44 44 ILE N N 44 121.900 122.150 -0.250 1
1 513 . 4 1 1 A 45 45 PRO HA H 45 4.570 4.425 0.145 1
1 520 . 4 1 1 A 45 45 PRO C C 45 175.900 176.641 -0.741 1
1 521 . 4 1 1 A 45 45 PRO CA C 45 62.600 63.046 -0.446 1
1 522 . 4 1 1 A 45 45 PRO CB C 45 32.400 32.173 0.227 1
1 525 . 4 1 1 A 46 46 VAL H H 46 8.790 8.574 0.216 1
1 526 . 4 1 1 A 46 46 VAL HA H 46 4.050 4.209 -0.159 1
1 534 . 4 1 1 A 46 46 VAL C C 46 175.200 175.857 -0.657 1
1 535 . 4 1 1 A 46 46 VAL CA C 46 61.700 61.826 -0.126 1
1 536 . 4 1 1 A 46 46 VAL CB C 46 30.800 32.169 -1.369 1
1 539 . 4 1 1 A 46 46 VAL N N 46 127.200 122.291 4.909 1
1 540 . 4 1 1 A 47 47 LEU H H 47 8.100 8.789 -0.689 1
1 541 . 4 1 1 A 47 47 LEU HA H 47 4.210 4.593 -0.383 1
1 551 . 4 1 1 A 47 47 LEU C C 47 175.600 175.956 -0.356 1
1 552 . 4 1 1 A 47 47 LEU CA C 47 52.700 53.892 -1.192 1
1 553 . 4 1 1 A 47 47 LEU CB C 47 39.400 41.847 -2.447 1
1 557 . 4 1 1 A 47 47 LEU N N 47 127.100 126.391 0.709 1
1 558 . 4 1 1 A 48 48 LEU H H 48 7.370 7.588 -0.218 1
1 559 . 4 1 1 A 48 48 LEU HA H 48 4.830 4.562 0.268 1
1 569 . 4 1 1 A 48 48 LEU C C 48 177.900 177.045 0.855 1
1 570 . 4 1 1 A 48 48 LEU CA C 48 52.800 53.735 -0.935 1
1 571 . 4 1 1 A 48 48 LEU CB C 48 44.200 43.001 1.199 1
1 575 . 4 1 1 A 48 48 LEU N N 48 121.200 121.311 -0.111 1
1 576 . 4 1 1 A 49 49 VAL H H 49 9.020 8.628 0.392 1
1 577 . 4 1 1 A 49 49 VAL HA H 49 3.790 3.780 0.010 1
1 585 . 4 1 1 A 49 49 VAL C C 49 178.100 177.363 0.737 1
1 586 . 4 1 1 A 49 49 VAL CA C 49 66.700 66.576 0.124 1
1 587 . 4 1 1 A 49 49 VAL CB C 49 31.900 31.924 -0.024 1
1 590 . 4 1 1 A 49 49 VAL N N 49 124.600 123.178 1.422 1
1 591 . 4 1 1 A 50 50 ASP H H 50 8.750 8.362 0.388 1
1 592 . 4 1 1 A 50 50 ASP HA H 50 4.490 4.408 0.082 1
1 595 . 4 1 1 A 50 50 ASP C C 50 176.900 177.777 -0.877 1
1 596 . 4 1 1 A 50 50 ASP CA C 50 56.200 57.446 -1.246 1
1 597 . 4 1 1 A 50 50 ASP CB C 50 40.400 41.642 -1.242 1
1 598 . 4 1 1 A 50 50 ASP N N 50 117.300 120.286 -2.986 1
1 599 . 4 1 1 A 51 51 GLU H H 51 7.500 7.612 -0.112 1
1 600 . 4 1 1 A 51 51 GLU HA H 51 4.470 4.369 0.101 1
1 605 . 4 1 1 A 51 51 GLU C C 51 175.300 176.566 -1.266 1
1 606 . 4 1 1 A 51 51 GLU CA C 51 55.600 56.381 -0.781 1
1 607 . 4 1 1 A 51 51 GLU CB C 51 30.300 30.500 -0.200 1
1 609 . 4 1 1 A 51 51 GLU N N 51 116.100 116.499 -0.399 1
1 610 . 4 1 1 A 52 52 ALA H H 52 7.370 7.272 0.098 1
1 611 . 4 1 1 A 52 52 ALA HA H 52 4.360 4.004 0.356 1
1 615 . 4 1 1 A 52 52 ALA C C 52 177.100 176.579 0.521 1
1 616 . 4 1 1 A 52 52 ALA CA C 52 51.900 52.876 -0.976 1
1 617 . 4 1 1 A 52 52 ALA CB C 52 20.900 18.892 2.008 1
1 618 . 4 1 1 A 52 52 ALA N N 52 122.000 123.551 -1.551 1
1 619 . 4 1 1 A 53 53 ARG H H 53 8.880 8.744 0.136 1
1 620 . 4 1 1 A 53 53 ARG HA H 53 4.560 4.973 -0.413 1
1 628 . 4 1 1 A 53 53 ARG C C 53 175.800 175.089 0.711 1
1 629 . 4 1 1 A 53 53 ARG CA C 53 54.900 54.271 0.629 1
1 630 . 4 1 1 A 53 53 ARG CB C 53 32.500 33.346 -0.846 1
1 633 . 4 1 1 A 53 53 ARG N N 53 121.500 122.581 -1.081 1
1 635 . 4 1 1 A 54 54 ARG H H 54 8.780 8.341 0.439 1
1 636 . 4 1 1 A 54 54 ARG HA H 54 4.560 4.646 -0.086 1
1 643 . 4 1 1 A 54 54 ARG CA C 54 54.000 53.909 0.091 1
1 644 . 4 1 1 A 54 54 ARG CB C 54 30.100 29.578 0.522 1
1 647 . 4 1 1 A 54 54 ARG N N 54 127.200 124.810 2.390 1
1 648 . 4 1 1 A 55 55 PRO HA H 55 4.380 4.688 -0.308 1
1 655 . 4 1 1 A 55 55 PRO C C 55 176.000 175.171 0.829 1
1 656 . 4 1 1 A 55 55 PRO CA C 55 63.500 62.792 0.708 1
1 657 . 4 1 1 A 55 55 PRO CB C 55 32.000 32.492 -0.492 1
1 3 . 5 1 1 A 2 2 PRO HA H 2 4.460 4.517 -0.057 1
1 10 . 5 1 1 A 2 2 PRO C C 2 176.800 176.193 0.607 1
1 11 . 5 1 1 A 2 2 PRO CA C 2 63.100 63.404 -0.304 1
1 12 . 5 1 1 A 2 2 PRO CB C 2 32.100 32.268 -0.168 1
1 15 . 5 1 1 A 3 3 LEU H H 3 8.520 8.718 -0.198 1
1 16 . 5 1 1 A 3 3 LEU HA H 3 4.260 4.547 -0.287 1
1 26 . 5 1 1 A 3 3 LEU C C 3 177.700 177.761 -0.061 1
1 27 . 5 1 1 A 3 3 LEU CA C 3 55.400 55.390 0.010 1
1 28 . 5 1 1 A 3 3 LEU CB C 3 42.500 45.290 -2.790 1
1 32 . 5 1 1 A 3 3 LEU N N 3 122.400 123.191 -0.791 1
1 33 . 5 1 1 A 4 4 GLU H H 4 8.430 8.199 0.231 1
1 34 . 5 1 1 A 4 4 GLU HA H 4 4.200 4.374 -0.174 1
1 39 . 5 1 1 A 4 4 GLU C C 4 176.400 176.554 -0.154 1
1 40 . 5 1 1 A 4 4 GLU CA C 4 56.600 56.052 0.548 1
1 41 . 5 1 1 A 4 4 GLU CB C 4 30.200 29.178 1.022 1
1 43 . 5 1 1 A 4 4 GLU N N 4 122.100 116.617 5.483 1
1 44 . 5 1 1 A 5 5 ALA H H 5 8.420 7.544 0.876 1
1 45 . 5 1 1 A 5 5 ALA HA H 5 4.210 4.053 0.157 1
1 49 . 5 1 1 A 5 5 ALA C C 5 178.700 178.417 0.283 1
1 50 . 5 1 1 A 5 5 ALA CA C 5 53.500 53.703 -0.203 1
1 51 . 5 1 1 A 5 5 ALA CB C 5 19.000 18.851 0.149 1
1 52 . 5 1 1 A 5 5 ALA N N 5 125.900 124.774 1.126 1
1 53 . 5 1 1 A 6 6 GLY H H 6 8.530 8.800 -0.270 1
1 54 . 5 1 1 A 6 6 GLY HA2 H 6 3.910 3.990 -0.080 1
1 55 . 5 1 1 A 6 6 GLY HA3 H 6 3.950 3.990 -0.040 1
1 56 . 5 1 1 A 6 6 GLY C C 6 174.700 173.953 0.747 1
1 57 . 5 1 1 A 6 6 GLY CA C 6 45.600 45.011 0.589 1
1 58 . 5 1 1 A 6 6 GLY N N 6 108.100 110.445 -2.345 1
1 59 . 5 1 1 A 7 7 LEU H H 7 7.850 7.745 0.105 1
1 60 . 5 1 1 A 7 7 LEU HA H 7 4.300 4.343 -0.043 1
1 70 . 5 1 1 A 7 7 LEU C C 7 177.700 175.926 1.774 1
1 71 . 5 1 1 A 7 7 LEU CA C 7 55.800 54.040 1.760 1
1 72 . 5 1 1 A 7 7 LEU CB C 7 42.500 41.616 0.884 1
1 76 . 5 1 1 A 7 7 LEU N N 7 121.300 122.320 -1.020 1
1 77 . 5 1 1 A 8 8 LEU H H 8 8.190 8.751 -0.561 1
1 78 . 5 1 1 A 8 8 LEU HA H 8 4.160 4.166 -0.006 1
1 88 . 5 1 1 A 8 8 LEU C C 8 177.700 176.676 1.024 1
1 89 . 5 1 1 A 8 8 LEU CA C 8 56.100 57.776 -1.676 1
1 90 . 5 1 1 A 8 8 LEU CB C 8 42.100 41.705 0.395 1
1 94 . 5 1 1 A 8 8 LEU N N 8 120.600 126.632 -6.032 1
1 95 . 5 1 1 A 9 9 GLU H H 9 8.150 8.094 0.056 1
1 96 . 5 1 1 A 9 9 GLU HA H 9 4.240 4.033 0.207 1
1 101 . 5 1 1 A 9 9 GLU C C 9 176.400 175.563 0.837 1
1 102 . 5 1 1 A 9 9 GLU CA C 9 57.000 57.074 -0.074 1
1 103 . 5 1 1 A 9 9 GLU CB C 9 30.200 28.564 1.636 1
1 105 . 5 1 1 A 9 9 GLU N N 9 118.800 116.272 2.528 1
1 106 . 5 1 1 A 10 10 ILE H H 10 7.860 7.987 -0.127 1
1 107 . 5 1 1 A 10 10 ILE HA H 10 4.280 4.344 -0.064 1
1 117 . 5 1 1 A 10 10 ILE C C 10 176.100 175.598 0.502 1
1 118 . 5 1 1 A 10 10 ILE CA C 10 60.800 60.530 0.270 1
1 119 . 5 1 1 A 10 10 ILE CB C 10 38.900 39.038 -0.138 1
1 123 . 5 1 1 A 10 10 ILE N N 10 118.600 121.734 -3.134 1
1 124 . 5 1 1 A 11 11 LEU H H 11 8.250 8.411 -0.161 1
1 125 . 5 1 1 A 11 11 LEU HA H 11 4.380 4.545 -0.165 1
1 135 . 5 1 1 A 11 11 LEU C C 11 175.200 176.115 -0.915 1
1 136 . 5 1 1 A 11 11 LEU CA C 11 54.400 54.471 -0.071 1
1 137 . 5 1 1 A 11 11 LEU CB C 11 43.400 42.450 0.950 1
1 141 . 5 1 1 A 11 11 LEU N N 11 125.900 125.344 0.556 1
1 142 . 5 1 1 A 12 12 ALA H H 12 7.920 8.680 -0.760 1
1 143 . 5 1 1 A 12 12 ALA HA H 12 4.620 5.017 -0.397 1
1 147 . 5 1 1 A 12 12 ALA C C 12 175.700 176.360 -0.660 1
1 148 . 5 1 1 A 12 12 ALA CA C 12 50.100 51.293 -1.193 1
1 149 . 5 1 1 A 12 12 ALA CB C 12 22.000 22.439 -0.439 1
1 150 . 5 1 1 A 12 12 ALA N N 12 123.700 124.245 -0.545 1
1 151 . 5 1 1 A 13 13 CYS H H 13 9.310 8.470 0.840 1
1 152 . 5 1 1 A 13 13 CYS HA H 13 4.130 4.580 -0.450 1
1 155 . 5 1 1 A 13 13 CYS CA C 13 56.900 57.952 -1.052 1
1 156 . 5 1 1 A 13 13 CYS CB C 13 31.600 26.974 4.626 1
1 157 . 5 1 1 A 13 13 CYS N N 13 124.400 122.121 2.279 1
1 158 . 5 1 1 A 14 14 PRO HA H 14 4.340 4.283 0.057 1
1 165 . 5 1 1 A 14 14 PRO C C 14 176.300 176.827 -0.527 1
1 166 . 5 1 1 A 14 14 PRO CA C 14 64.200 63.560 0.640 1
1 167 . 5 1 1 A 14 14 PRO CB C 14 31.800 31.861 -0.061 1
1 170 . 5 1 1 A 15 15 ALA H H 15 8.690 8.575 0.115 1
1 171 . 5 1 1 A 15 15 ALA HA H 15 4.340 3.812 0.528 1
1 175 . 5 1 1 A 15 15 ALA C C 15 178.300 176.309 1.991 1
1 176 . 5 1 1 A 15 15 ALA CA C 15 54.300 54.786 -0.486 1
1 177 . 5 1 1 A 15 15 ALA CB C 15 20.100 17.533 2.567 1
1 178 . 5 1 1 A 15 15 ALA N N 15 123.400 119.396 4.004 1
1 179 . 5 1 1 A 16 16 CYS H H 16 8.290 8.744 -0.454 1
1 180 . 5 1 1 A 16 16 CYS HA H 16 4.860 4.422 0.438 1
1 183 . 5 1 1 A 16 16 CYS C C 16 176.700 173.109 3.591 1
1 184 . 5 1 1 A 16 16 CYS CA C 16 58.800 57.756 1.044 1
1 185 . 5 1 1 A 16 16 CYS CB C 16 32.600 29.497 3.103 1
1 186 . 5 1 1 A 16 16 CYS N N 16 117.000 114.559 2.441 1
1 187 . 5 1 1 A 17 17 HIS H H 17 8.300 8.671 -0.371 1
1 188 . 5 1 1 A 17 17 HIS HA H 17 4.440 5.233 -0.793 1
1 193 . 5 1 1 A 17 17 HIS C C 17 173.000 174.054 -1.054 1
1 194 . 5 1 1 A 17 17 HIS CA C 17 57.700 54.589 3.111 1
1 195 . 5 1 1 A 17 17 HIS CB C 17 26.500 32.058 -5.558 1
1 198 . 5 1 1 A 17 17 HIS N N 17 117.800 118.089 -0.289 1
1 199 . 5 1 1 A 18 18 ALA H H 18 9.080 8.461 0.619 1
1 200 . 5 1 1 A 18 18 ALA HA H 18 4.640 4.718 -0.078 1
1 204 . 5 1 1 A 18 18 ALA CA C 18 52.100 50.883 1.217 1
1 205 . 5 1 1 A 18 18 ALA CB C 18 19.000 22.298 -3.298 1
1 206 . 5 1 1 A 18 18 ALA N N 18 127.600 124.233 3.367 1
1 207 . 5 1 1 A 19 19 PRO HA H 19 4.540 4.622 -0.082 1
1 214 . 5 1 1 A 19 19 PRO C C 19 177.000 175.475 1.525 1
1 215 . 5 1 1 A 19 19 PRO CA C 19 63.300 62.585 0.715 1
1 216 . 5 1 1 A 19 19 PRO CB C 19 32.500 32.682 -0.182 1
1 219 . 5 1 1 A 20 20 LEU H H 20 8.450 8.461 -0.011 1
1 220 . 5 1 1 A 20 20 LEU HA H 20 5.050 5.139 -0.089 1
1 230 . 5 1 1 A 20 20 LEU C C 20 176.700 175.973 0.727 1
1 231 . 5 1 1 A 20 20 LEU CA C 20 53.300 53.096 0.204 1
1 232 . 5 1 1 A 20 20 LEU CB C 20 44.800 45.178 -0.378 1
1 236 . 5 1 1 A 20 20 LEU N N 20 121.400 120.940 0.460 1
1 237 . 5 1 1 A 21 21 GLU H H 21 9.030 9.536 -0.506 1
1 238 . 5 1 1 A 21 21 GLU HA H 21 4.660 4.875 -0.215 1
1 243 . 5 1 1 A 21 21 GLU C C 21 175.100 174.999 0.101 1
1 244 . 5 1 1 A 21 21 GLU CA C 21 54.100 54.551 -0.451 1
1 245 . 5 1 1 A 21 21 GLU CB C 21 33.000 32.117 0.883 1
1 247 . 5 1 1 A 21 21 GLU N N 21 120.700 121.447 -0.747 1
1 248 . 5 1 1 A 22 22 GLU H H 22 8.950 8.918 0.032 1
1 249 . 5 1 1 A 22 22 GLU HA H 22 4.630 4.707 -0.077 1
1 254 . 5 1 1 A 22 22 GLU C C 22 176.000 175.485 0.515 1
1 255 . 5 1 1 A 22 22 GLU CA C 22 56.800 56.316 0.484 1
1 256 . 5 1 1 A 22 22 GLU CB C 22 30.200 30.676 -0.476 1
1 258 . 5 1 1 A 22 22 GLU N N 22 125.900 125.954 -0.054 1
1 259 . 5 1 1 A 23 23 ARG H H 23 8.830 9.241 -0.411 1
1 260 . 5 1 1 A 23 23 ARG HA H 23 4.500 4.682 -0.182 1
1 267 . 5 1 1 A 23 23 ARG C C 23 175.000 175.254 -0.254 1
1 268 . 5 1 1 A 23 23 ARG CA C 23 55.600 55.301 0.299 1
1 269 . 5 1 1 A 23 23 ARG CB C 23 32.100 32.446 -0.346 1
1 272 . 5 1 1 A 23 23 ARG N N 23 128.000 127.141 0.859 1
1 273 . 5 1 1 A 24 24 ASP H H 24 9.150 9.015 0.135 1
1 274 . 5 1 1 A 24 24 ASP HA H 24 4.180 4.272 -0.092 1
1 277 . 5 1 1 A 24 24 ASP C C 24 174.900 175.590 -0.690 1
1 278 . 5 1 1 A 24 24 ASP CA C 24 56.600 56.472 0.128 1
1 279 . 5 1 1 A 24 24 ASP CB C 24 39.600 39.540 0.060 1
1 280 . 5 1 1 A 24 24 ASP N N 24 126.000 124.909 1.091 1
1 281 . 5 1 1 A 25 25 ALA H H 25 8.480 8.370 0.110 1
1 282 . 5 1 1 A 25 25 ALA HA H 25 4.370 4.487 -0.117 1
1 286 . 5 1 1 A 25 25 ALA C C 25 175.700 176.634 -0.934 1
1 287 . 5 1 1 A 25 25 ALA CA C 25 52.600 51.152 1.448 1
1 288 . 5 1 1 A 25 25 ALA CB C 25 18.100 19.872 -1.772 1
1 289 . 5 1 1 A 25 25 ALA N N 25 122.800 125.988 -3.188 1
1 290 . 5 1 1 A 26 26 GLU H H 26 7.770 8.288 -0.518 1
1 291 . 5 1 1 A 26 26 GLU HA H 26 5.100 5.062 0.038 1
1 296 . 5 1 1 A 26 26 GLU C C 26 174.600 174.492 0.108 1
1 297 . 5 1 1 A 26 26 GLU CA C 26 54.700 54.781 -0.081 1
1 298 . 5 1 1 A 26 26 GLU CB C 26 35.100 33.113 1.987 1
1 300 . 5 1 1 A 26 26 GLU N N 26 116.600 116.131 0.469 1
1 301 . 5 1 1 A 27 27 LEU H H 27 9.190 9.499 -0.309 1
1 302 . 5 1 1 A 27 27 LEU HA H 27 5.010 5.156 -0.146 1
1 312 . 5 1 1 A 27 27 LEU C C 27 175.500 175.685 -0.185 1
1 313 . 5 1 1 A 27 27 LEU CA C 27 53.200 53.450 -0.250 1
1 314 . 5 1 1 A 27 27 LEU CB C 27 44.400 43.147 1.253 1
1 318 . 5 1 1 A 27 27 LEU N N 27 120.900 124.051 -3.151 1
1 319 . 5 1 1 A 28 28 ILE H H 28 9.480 9.752 -0.272 1
1 320 . 5 1 1 A 28 28 ILE HA H 28 4.770 4.622 0.148 1
1 330 . 5 1 1 A 28 28 ILE C C 28 175.300 175.404 -0.104 1
1 331 . 5 1 1 A 28 28 ILE CA C 28 60.000 59.965 0.035 1
1 332 . 5 1 1 A 28 28 ILE CB C 28 39.700 39.765 -0.065 1
1 336 . 5 1 1 A 28 28 ILE N N 28 123.300 125.215 -1.915 1
1 337 . 5 1 1 A 29 29 CYS H H 29 9.160 9.233 -0.073 1
1 338 . 5 1 1 A 29 29 CYS HA H 29 4.250 4.600 -0.350 1
1 341 . 5 1 1 A 29 29 CYS C C 29 176.700 174.834 1.866 1
1 342 . 5 1 1 A 29 29 CYS CA C 29 62.000 59.705 2.295 1
1 343 . 5 1 1 A 29 29 CYS CB C 29 30.400 28.249 2.151 1
1 344 . 5 1 1 A 29 29 CYS N N 29 130.800 127.315 3.485 1
1 345 . 5 1 1 A 30 30 THR H H 30 7.840 8.872 -1.032 1
1 346 . 5 1 1 A 30 30 THR HA H 30 4.280 4.616 -0.336 1
1 351 . 5 1 1 A 30 30 THR C C 30 175.300 174.311 0.989 1
1 352 . 5 1 1 A 30 30 THR CA C 30 62.400 61.857 0.543 1
1 353 . 5 1 1 A 30 30 THR CB C 30 70.500 70.561 -0.061 1
1 355 . 5 1 1 A 30 30 THR N N 30 118.800 121.496 -2.696 1
1 356 . 5 1 1 A 31 31 GLY H H 31 10.310 8.624 1.686 1
1 357 . 5 1 1 A 31 31 GLY HA2 H 31 3.710 4.091 -0.381 1
1 358 . 5 1 1 A 31 31 GLY HA3 H 31 3.960 4.097 -0.137 1
1 359 . 5 1 1 A 31 31 GLY C C 31 175.900 175.250 0.650 1
1 360 . 5 1 1 A 31 31 GLY CA C 31 45.300 44.762 0.538 1
1 361 . 5 1 1 A 31 31 GLY N N 31 120.100 111.357 8.743 1
1 362 . 5 1 1 A 32 32 GLN H H 32 8.940 8.825 0.115 1
1 363 . 5 1 1 A 32 32 GLN HA H 32 3.990 4.234 -0.244 1
1 370 . 5 1 1 A 32 32 GLN C C 32 176.400 176.625 -0.225 1
1 371 . 5 1 1 A 32 32 GLN CA C 32 58.200 57.061 1.139 1
1 372 . 5 1 1 A 32 32 GLN CB C 32 28.800 28.435 0.365 1
1 375 . 5 1 1 A 32 32 GLN N N 32 127.200 120.030 7.170 1
1 377 . 5 1 1 A 33 33 ASP H H 33 8.560 8.091 0.469 1
1 378 . 5 1 1 A 33 33 ASP HA H 33 4.610 4.671 -0.061 1
1 381 . 5 1 1 A 33 33 ASP C C 33 174.500 175.812 -1.312 1
1 382 . 5 1 1 A 33 33 ASP CA C 33 54.000 55.283 -1.283 1
1 383 . 5 1 1 A 33 33 ASP CB C 33 40.400 41.159 -0.759 1
1 384 . 5 1 1 A 33 33 ASP N N 33 117.200 117.457 -0.257 1
1 385 . 5 1 1 A 34 34 CYS H H 34 7.330 7.672 -0.342 1
1 386 . 5 1 1 A 34 34 CYS HA H 34 4.480 4.908 -0.428 1
1 389 . 5 1 1 A 34 34 CYS C C 34 175.500 174.662 0.838 1
1 390 . 5 1 1 A 34 34 CYS CA C 34 60.100 58.465 1.635 1
1 391 . 5 1 1 A 34 34 CYS CB C 34 31.200 30.535 0.665 1
1 392 . 5 1 1 A 34 34 CYS N N 34 123.800 117.809 5.991 1
1 393 . 5 1 1 A 35 35 GLY H H 35 8.020 8.481 -0.461 1
1 394 . 5 1 1 A 35 35 GLY HA2 H 35 3.940 4.004 -0.064 1
1 395 . 5 1 1 A 35 35 GLY HA3 H 35 4.240 4.005 0.235 1
1 396 . 5 1 1 A 35 35 GLY C C 35 173.900 174.753 -0.853 1
1 397 . 5 1 1 A 35 35 GLY CA C 35 46.900 45.189 1.711 1
1 398 . 5 1 1 A 35 35 GLY N N 35 108.700 109.633 -0.933 1
1 399 . 5 1 1 A 36 36 LEU H H 36 7.430 7.888 -0.458 1
1 400 . 5 1 1 A 36 36 LEU HA H 36 3.930 4.292 -0.362 1
1 410 . 5 1 1 A 36 36 LEU C C 36 173.800 175.504 -1.704 1
1 411 . 5 1 1 A 36 36 LEU CA C 36 56.400 54.631 1.769 1
1 412 . 5 1 1 A 36 36 LEU CB C 36 43.300 42.175 1.125 1
1 416 . 5 1 1 A 36 36 LEU N N 36 121.100 122.695 -1.595 1
1 417 . 5 1 1 A 37 37 ALA H H 37 7.990 8.533 -0.543 1
1 418 . 5 1 1 A 37 37 ALA HA H 37 5.240 4.915 0.325 1
1 422 . 5 1 1 A 37 37 ALA C C 37 176.700 174.662 2.038 1
1 423 . 5 1 1 A 37 37 ALA CA C 37 49.800 49.952 -0.152 1
1 424 . 5 1 1 A 37 37 ALA CB C 37 22.200 22.066 0.134 1
1 425 . 5 1 1 A 37 37 ALA N N 37 119.900 121.324 -1.424 1
1 426 . 5 1 1 A 38 38 TYR H H 38 9.740 9.061 0.679 1
1 427 . 5 1 1 A 38 38 TYR HA H 38 4.730 5.056 -0.326 1
1 434 . 5 1 1 A 38 38 TYR CA C 38 55.900 55.051 0.849 1
1 435 . 5 1 1 A 38 38 TYR CB C 38 38.800 39.676 -0.876 1
1 440 . 5 1 1 A 38 38 TYR N N 38 125.300 120.313 4.987 1
1 441 . 5 1 1 A 39 39 PRO HA H 39 4.700 4.689 0.011 1
1 448 . 5 1 1 A 39 39 PRO C C 39 175.100 176.385 -1.285 1
1 449 . 5 1 1 A 39 39 PRO CA C 39 63.100 62.557 0.543 1
1 450 . 5 1 1 A 39 39 PRO CB C 39 32.900 32.401 0.499 1
1 453 . 5 1 1 A 40 40 VAL H H 40 7.830 8.233 -0.403 1
1 454 . 5 1 1 A 40 40 VAL HA H 40 4.190 4.254 -0.064 1
1 462 . 5 1 1 A 40 40 VAL C C 40 176.300 174.971 1.329 1
1 463 . 5 1 1 A 40 40 VAL CA C 40 62.100 62.510 -0.410 1
1 464 . 5 1 1 A 40 40 VAL CB C 40 32.300 32.011 0.289 1
1 467 . 5 1 1 A 40 40 VAL N N 40 119.300 121.167 -1.867 1
1 468 . 5 1 1 A 41 41 ARG H H 41 8.410 9.240 -0.830 1
1 469 . 5 1 1 A 41 41 ARG HA H 41 4.680 4.770 -0.090 1
1 476 . 5 1 1 A 41 41 ARG C C 41 175.900 175.118 0.782 1
1 477 . 5 1 1 A 41 41 ARG CA C 41 55.100 54.933 0.167 1
1 478 . 5 1 1 A 41 41 ARG CB C 41 32.200 32.738 -0.538 1
1 481 . 5 1 1 A 41 41 ARG N N 41 127.400 127.271 0.129 1
1 482 . 5 1 1 A 42 42 ASP H H 42 9.440 9.480 -0.040 1
1 483 . 5 1 1 A 42 42 ASP HA H 42 4.270 4.413 -0.143 1
1 486 . 5 1 1 A 42 42 ASP C C 42 175.800 176.281 -0.481 1
1 487 . 5 1 1 A 42 42 ASP CA C 42 55.400 55.357 0.043 1
1 488 . 5 1 1 A 42 42 ASP CB C 42 39.700 39.542 0.158 1
1 489 . 5 1 1 A 42 42 ASP N N 42 127.200 127.962 -0.762 1
1 490 . 5 1 1 A 43 43 GLY H H 43 8.390 8.693 -0.303 1
1 491 . 5 1 1 A 43 43 GLY HA2 H 43 3.420 3.845 -0.425 1
1 492 . 5 1 1 A 43 43 GLY HA3 H 43 4.100 3.847 0.253 1
1 493 . 5 1 1 A 43 43 GLY C C 43 173.400 173.814 -0.414 1
1 494 . 5 1 1 A 43 43 GLY CA C 43 45.200 45.407 -0.207 1
1 495 . 5 1 1 A 43 43 GLY N N 43 102.300 104.410 -2.110 1
1 496 . 5 1 1 A 44 44 ILE H H 44 7.760 8.335 -0.575 1
1 497 . 5 1 1 A 44 44 ILE HA H 44 4.610 4.513 0.097 1
1 507 . 5 1 1 A 44 44 ILE CA C 44 57.300 57.621 -0.321 1
1 508 . 5 1 1 A 44 44 ILE CB C 44 39.500 40.648 -1.148 1
1 512 . 5 1 1 A 44 44 ILE N N 44 121.900 121.879 0.021 1
1 513 . 5 1 1 A 45 45 PRO HA H 45 4.570 4.696 -0.126 1
1 520 . 5 1 1 A 45 45 PRO C C 45 175.900 175.505 0.395 1
1 521 . 5 1 1 A 45 45 PRO CA C 45 62.600 62.542 0.058 1
1 522 . 5 1 1 A 45 45 PRO CB C 45 32.400 32.813 -0.413 1
1 525 . 5 1 1 A 46 46 VAL H H 46 8.790 8.743 0.047 1
1 526 . 5 1 1 A 46 46 VAL HA H 46 4.050 4.357 -0.307 1
1 534 . 5 1 1 A 46 46 VAL C C 46 175.200 175.704 -0.504 1
1 535 . 5 1 1 A 46 46 VAL CA C 46 61.700 61.322 0.378 1
1 536 . 5 1 1 A 46 46 VAL CB C 46 30.800 33.263 -2.463 1
1 539 . 5 1 1 A 46 46 VAL N N 46 127.200 122.176 5.024 1
1 540 . 5 1 1 A 47 47 LEU H H 47 8.100 8.739 -0.639 1
1 541 . 5 1 1 A 47 47 LEU HA H 47 4.210 4.502 -0.292 1
1 551 . 5 1 1 A 47 47 LEU C C 47 175.600 175.114 0.486 1
1 552 . 5 1 1 A 47 47 LEU CA C 47 52.700 53.687 -0.987 1
1 553 . 5 1 1 A 47 47 LEU CB C 47 39.400 41.915 -2.515 1
1 557 . 5 1 1 A 47 47 LEU N N 47 127.100 126.515 0.585 1
1 558 . 5 1 1 A 48 48 LEU H H 48 7.370 7.258 0.112 1
1 559 . 5 1 1 A 48 48 LEU HA H 48 4.830 4.581 0.249 1
1 569 . 5 1 1 A 48 48 LEU C C 48 177.900 177.150 0.750 1
1 570 . 5 1 1 A 48 48 LEU CA C 48 52.800 53.085 -0.285 1
1 571 . 5 1 1 A 48 48 LEU CB C 48 44.200 43.873 0.327 1
1 575 . 5 1 1 A 48 48 LEU N N 48 121.200 121.439 -0.239 1
1 576 . 5 1 1 A 49 49 VAL H H 49 9.020 8.637 0.383 1
1 577 . 5 1 1 A 49 49 VAL HA H 49 3.790 3.708 0.082 1
1 585 . 5 1 1 A 49 49 VAL C C 49 178.100 177.344 0.756 1
1 586 . 5 1 1 A 49 49 VAL CA C 49 66.700 66.622 0.078 1
1 587 . 5 1 1 A 49 49 VAL CB C 49 31.900 31.885 0.015 1
1 590 . 5 1 1 A 49 49 VAL N N 49 124.600 122.583 2.017 1
1 591 . 5 1 1 A 50 50 ASP H H 50 8.750 9.012 -0.262 1
1 592 . 5 1 1 A 50 50 ASP HA H 50 4.490 4.359 0.131 1
1 595 . 5 1 1 A 50 50 ASP C C 50 176.900 177.126 -0.226 1
1 596 . 5 1 1 A 50 50 ASP CA C 50 56.200 56.247 -0.047 1
1 597 . 5 1 1 A 50 50 ASP CB C 50 40.400 39.454 0.946 1
1 598 . 5 1 1 A 50 50 ASP N N 50 117.300 119.236 -1.936 1
1 599 . 5 1 1 A 51 51 GLU H H 51 7.500 7.456 0.044 1
1 600 . 5 1 1 A 51 51 GLU HA H 51 4.470 4.442 0.028 1
1 605 . 5 1 1 A 51 51 GLU C C 51 175.300 176.467 -1.167 1
1 606 . 5 1 1 A 51 51 GLU CA C 51 55.600 56.235 -0.635 1
1 607 . 5 1 1 A 51 51 GLU CB C 51 30.300 30.792 -0.492 1
1 609 . 5 1 1 A 51 51 GLU N N 51 116.100 117.535 -1.435 1
1 610 . 5 1 1 A 52 52 ALA H H 52 7.370 7.491 -0.121 1
1 611 . 5 1 1 A 52 52 ALA HA H 52 4.360 4.327 0.033 1
1 615 . 5 1 1 A 52 52 ALA C C 52 177.100 176.649 0.451 1
1 616 . 5 1 1 A 52 52 ALA CA C 52 51.900 53.071 -1.171 1
1 617 . 5 1 1 A 52 52 ALA CB C 52 20.900 19.196 1.704 1
1 618 . 5 1 1 A 52 52 ALA N N 52 122.000 123.662 -1.662 1
1 619 . 5 1 1 A 53 53 ARG H H 53 8.880 8.923 -0.043 1
1 620 . 5 1 1 A 53 53 ARG HA H 53 4.560 5.071 -0.511 1
1 628 . 5 1 1 A 53 53 ARG C C 53 175.800 175.340 0.460 1
1 629 . 5 1 1 A 53 53 ARG CA C 53 54.900 54.499 0.401 1
1 630 . 5 1 1 A 53 53 ARG CB C 53 32.500 33.295 -0.795 1
1 633 . 5 1 1 A 53 53 ARG N N 53 121.500 122.736 -1.236 1
1 635 . 5 1 1 A 54 54 ARG H H 54 8.780 8.337 0.443 1
1 636 . 5 1 1 A 54 54 ARG HA H 54 4.560 4.628 -0.068 1
1 643 . 5 1 1 A 54 54 ARG CA C 54 54.000 54.118 -0.118 1
1 644 . 5 1 1 A 54 54 ARG CB C 54 30.100 29.530 0.570 1
1 647 . 5 1 1 A 54 54 ARG N N 54 127.200 124.709 2.491 1
1 648 . 5 1 1 A 55 55 PRO HA H 55 4.380 4.241 0.139 1
1 655 . 5 1 1 A 55 55 PRO C C 55 176.000 177.158 -1.158 1
1 656 . 5 1 1 A 55 55 PRO CA C 55 63.500 63.809 -0.309 1
1 657 . 5 1 1 A 55 55 PRO CB C 55 32.000 31.817 0.183 1
1 3 . 6 1 1 A 2 2 PRO HA H 2 4.460 4.434 0.026 1
1 10 . 6 1 1 A 2 2 PRO C C 2 176.800 178.288 -1.488 1
1 11 . 6 1 1 A 2 2 PRO CA C 2 63.100 64.203 -1.103 1
1 12 . 6 1 1 A 2 2 PRO CB C 2 32.100 31.525 0.575 1
1 15 . 6 1 1 A 3 3 LEU H H 3 8.520 7.687 0.833 1
1 16 . 6 1 1 A 3 3 LEU HA H 3 4.260 3.938 0.322 1
1 26 . 6 1 1 A 3 3 LEU C C 3 177.700 177.160 0.540 1
1 27 . 6 1 1 A 3 3 LEU CA C 3 55.400 58.031 -2.631 1
1 28 . 6 1 1 A 3 3 LEU CB C 3 42.500 41.729 0.771 1
1 32 . 6 1 1 A 3 3 LEU N N 3 122.400 118.382 4.018 1
1 33 . 6 1 1 A 4 4 GLU H H 4 8.430 8.171 0.259 1
1 34 . 6 1 1 A 4 4 GLU HA H 4 4.200 4.158 0.042 1
1 39 . 6 1 1 A 4 4 GLU C C 4 176.400 177.176 -0.776 1
1 40 . 6 1 1 A 4 4 GLU CA C 4 56.600 59.461 -2.861 1
1 41 . 6 1 1 A 4 4 GLU CB C 4 30.200 29.088 1.112 1
1 43 . 6 1 1 A 4 4 GLU N N 4 122.100 118.699 3.401 1
1 44 . 6 1 1 A 5 5 ALA H H 5 8.420 8.566 -0.146 1
1 45 . 6 1 1 A 5 5 ALA HA H 5 4.210 4.183 0.027 1
1 49 . 6 1 1 A 5 5 ALA C C 5 178.700 178.845 -0.145 1
1 50 . 6 1 1 A 5 5 ALA CA C 5 53.500 54.164 -0.664 1
1 51 . 6 1 1 A 5 5 ALA CB C 5 19.000 18.551 0.449 1
1 52 . 6 1 1 A 5 5 ALA N N 5 125.900 122.082 3.818 1
1 53 . 6 1 1 A 6 6 GLY H H 6 8.530 8.062 0.468 1
1 54 . 6 1 1 A 6 6 GLY HA2 H 6 3.910 3.939 -0.029 1
1 55 . 6 1 1 A 6 6 GLY HA3 H 6 3.950 3.939 0.011 1
1 56 . 6 1 1 A 6 6 GLY C C 6 174.700 175.556 -0.856 1
1 57 . 6 1 1 A 6 6 GLY CA C 6 45.600 45.742 -0.142 1
1 58 . 6 1 1 A 6 6 GLY N N 6 108.100 107.224 0.876 1
1 59 . 6 1 1 A 7 7 LEU H H 7 7.850 7.557 0.293 1
1 60 . 6 1 1 A 7 7 LEU HA H 7 4.300 4.013 0.287 1
1 70 . 6 1 1 A 7 7 LEU C C 7 177.700 177.288 0.412 1
1 71 . 6 1 1 A 7 7 LEU CA C 7 55.800 58.277 -2.477 1
1 72 . 6 1 1 A 7 7 LEU CB C 7 42.500 42.069 0.431 1
1 76 . 6 1 1 A 7 7 LEU N N 7 121.300 121.513 -0.213 1
1 77 . 6 1 1 A 8 8 LEU H H 8 8.190 7.699 0.491 1
1 78 . 6 1 1 A 8 8 LEU HA H 8 4.160 4.489 -0.329 1
1 88 . 6 1 1 A 8 8 LEU C C 8 177.700 176.833 0.867 1
1 89 . 6 1 1 A 8 8 LEU CA C 8 56.100 54.547 1.553 1
1 90 . 6 1 1 A 8 8 LEU CB C 8 42.100 43.153 -1.053 1
1 94 . 6 1 1 A 8 8 LEU N N 8 120.600 118.665 1.935 1
1 95 . 6 1 1 A 9 9 GLU H H 9 8.150 8.453 -0.303 1
1 96 . 6 1 1 A 9 9 GLU HA H 9 4.240 4.371 -0.131 1
1 101 . 6 1 1 A 9 9 GLU C C 9 176.400 176.595 -0.195 1
1 102 . 6 1 1 A 9 9 GLU CA C 9 57.000 56.697 0.303 1
1 103 . 6 1 1 A 9 9 GLU CB C 9 30.200 30.852 -0.652 1
1 105 . 6 1 1 A 9 9 GLU N N 9 118.800 125.350 -6.550 1
1 106 . 6 1 1 A 10 10 ILE H H 10 7.860 8.318 -0.458 1
1 107 . 6 1 1 A 10 10 ILE HA H 10 4.280 4.617 -0.337 1
1 117 . 6 1 1 A 10 10 ILE C C 10 176.100 174.543 1.557 1
1 118 . 6 1 1 A 10 10 ILE CA C 10 60.800 60.519 0.281 1
1 119 . 6 1 1 A 10 10 ILE CB C 10 38.900 39.588 -0.688 1
1 123 . 6 1 1 A 10 10 ILE N N 10 118.600 122.828 -4.228 1
1 124 . 6 1 1 A 11 11 LEU H H 11 8.250 9.067 -0.817 1
1 125 . 6 1 1 A 11 11 LEU HA H 11 4.380 5.347 -0.967 1
1 135 . 6 1 1 A 11 11 LEU C C 11 175.200 174.978 0.222 1
1 136 . 6 1 1 A 11 11 LEU CA C 11 54.400 53.333 1.067 1
1 137 . 6 1 1 A 11 11 LEU CB C 11 43.400 45.626 -2.226 1
1 141 . 6 1 1 A 11 11 LEU N N 11 125.900 131.119 -5.219 1
1 142 . 6 1 1 A 12 12 ALA H H 12 7.920 8.836 -0.916 1
1 143 . 6 1 1 A 12 12 ALA HA H 12 4.620 5.176 -0.556 1
1 147 . 6 1 1 A 12 12 ALA C C 12 175.700 175.107 0.593 1
1 148 . 6 1 1 A 12 12 ALA CA C 12 50.100 50.325 -0.225 1
1 149 . 6 1 1 A 12 12 ALA CB C 12 22.000 23.287 -1.287 1
1 150 . 6 1 1 A 12 12 ALA N N 12 123.700 127.161 -3.461 1
1 151 . 6 1 1 A 13 13 CYS H H 13 9.310 8.719 0.591 1
1 152 . 6 1 1 A 13 13 CYS HA H 13 4.130 5.130 -1.000 1
1 155 . 6 1 1 A 13 13 CYS CA C 13 56.900 57.012 -0.112 1
1 156 . 6 1 1 A 13 13 CYS CB C 13 31.600 28.933 2.667 1
1 157 . 6 1 1 A 13 13 CYS N N 13 124.400 119.407 4.993 1
1 158 . 6 1 1 A 14 14 PRO HA H 14 4.340 4.335 0.005 1
1 165 . 6 1 1 A 14 14 PRO C C 14 176.300 176.890 -0.590 1
1 166 . 6 1 1 A 14 14 PRO CA C 14 64.200 63.901 0.299 1
1 167 . 6 1 1 A 14 14 PRO CB C 14 31.800 32.054 -0.254 1
1 170 . 6 1 1 A 15 15 ALA H H 15 8.690 8.541 0.149 1
1 171 . 6 1 1 A 15 15 ALA HA H 15 4.340 3.982 0.358 1
1 175 . 6 1 1 A 15 15 ALA C C 15 178.300 176.350 1.950 1
1 176 . 6 1 1 A 15 15 ALA CA C 15 54.300 54.364 -0.064 1
1 177 . 6 1 1 A 15 15 ALA CB C 15 20.100 17.063 3.037 1
1 178 . 6 1 1 A 15 15 ALA N N 15 123.400 119.247 4.153 1
1 179 . 6 1 1 A 16 16 CYS H H 16 8.290 7.845 0.445 1
1 180 . 6 1 1 A 16 16 CYS HA H 16 4.860 4.986 -0.126 1
1 183 . 6 1 1 A 16 16 CYS C C 16 176.700 173.132 3.568 1
1 184 . 6 1 1 A 16 16 CYS CA C 16 58.800 56.853 1.947 1
1 185 . 6 1 1 A 16 16 CYS CB C 16 32.600 30.729 1.871 1
1 186 . 6 1 1 A 16 16 CYS N N 16 117.000 114.246 2.754 1
1 187 . 6 1 1 A 17 17 HIS H H 17 8.300 8.540 -0.240 1
1 188 . 6 1 1 A 17 17 HIS HA H 17 4.440 5.541 -1.101 1
1 193 . 6 1 1 A 17 17 HIS C C 17 173.000 173.713 -0.713 1
1 194 . 6 1 1 A 17 17 HIS CA C 17 57.700 54.109 3.591 1
1 195 . 6 1 1 A 17 17 HIS CB C 17 26.500 32.355 -5.855 1
1 198 . 6 1 1 A 17 17 HIS N N 17 117.800 115.989 1.811 1
1 199 . 6 1 1 A 18 18 ALA H H 18 9.080 8.292 0.788 1
1 200 . 6 1 1 A 18 18 ALA HA H 18 4.640 4.652 -0.012 1
1 204 . 6 1 1 A 18 18 ALA CA C 18 52.100 50.831 1.269 1
1 205 . 6 1 1 A 18 18 ALA CB C 18 19.000 21.957 -2.957 1
1 206 . 6 1 1 A 18 18 ALA N N 18 127.600 122.459 5.141 1
1 207 . 6 1 1 A 19 19 PRO HA H 19 4.540 4.550 -0.010 1
1 214 . 6 1 1 A 19 19 PRO C C 19 177.000 175.340 1.660 1
1 215 . 6 1 1 A 19 19 PRO CA C 19 63.300 62.637 0.663 1
1 216 . 6 1 1 A 19 19 PRO CB C 19 32.500 33.134 -0.634 1
1 219 . 6 1 1 A 20 20 LEU H H 20 8.450 8.414 0.036 1
1 220 . 6 1 1 A 20 20 LEU HA H 20 5.050 5.087 -0.037 1
1 230 . 6 1 1 A 20 20 LEU C C 20 176.700 175.957 0.743 1
1 231 . 6 1 1 A 20 20 LEU CA C 20 53.300 53.107 0.193 1
1 232 . 6 1 1 A 20 20 LEU CB C 20 44.800 45.044 -0.244 1
1 236 . 6 1 1 A 20 20 LEU N N 20 121.400 121.621 -0.221 1
1 237 . 6 1 1 A 21 21 GLU H H 21 9.030 9.549 -0.519 1
1 238 . 6 1 1 A 21 21 GLU HA H 21 4.660 4.902 -0.242 1
1 243 . 6 1 1 A 21 21 GLU C C 21 175.100 175.777 -0.677 1
1 244 . 6 1 1 A 21 21 GLU CA C 21 54.100 54.399 -0.299 1
1 245 . 6 1 1 A 21 21 GLU CB C 21 33.000 33.260 -0.260 1
1 247 . 6 1 1 A 21 21 GLU N N 21 120.700 121.416 -0.716 1
1 248 . 6 1 1 A 22 22 GLU H H 22 8.950 8.697 0.253 1
1 249 . 6 1 1 A 22 22 GLU HA H 22 4.630 4.774 -0.144 1
1 254 . 6 1 1 A 22 22 GLU C C 22 176.000 175.469 0.531 1
1 255 . 6 1 1 A 22 22 GLU CA C 22 56.800 56.029 0.771 1
1 256 . 6 1 1 A 22 22 GLU CB C 22 30.200 30.450 -0.250 1
1 258 . 6 1 1 A 22 22 GLU N N 22 125.900 123.254 2.646 1
1 259 . 6 1 1 A 23 23 ARG H H 23 8.830 9.203 -0.373 1
1 260 . 6 1 1 A 23 23 ARG HA H 23 4.500 4.587 -0.087 1
1 267 . 6 1 1 A 23 23 ARG C C 23 175.000 175.230 -0.230 1
1 268 . 6 1 1 A 23 23 ARG CA C 23 55.600 55.720 -0.120 1
1 269 . 6 1 1 A 23 23 ARG CB C 23 32.100 32.430 -0.330 1
1 272 . 6 1 1 A 23 23 ARG N N 23 128.000 124.078 3.922 1
1 273 . 6 1 1 A 24 24 ASP H H 24 9.150 9.033 0.117 1
1 274 . 6 1 1 A 24 24 ASP HA H 24 4.180 4.274 -0.094 1
1 277 . 6 1 1 A 24 24 ASP C C 24 174.900 175.639 -0.739 1
1 278 . 6 1 1 A 24 24 ASP CA C 24 56.600 56.475 0.125 1
1 279 . 6 1 1 A 24 24 ASP CB C 24 39.600 39.528 0.072 1
1 280 . 6 1 1 A 24 24 ASP N N 24 126.000 125.016 0.984 1
1 281 . 6 1 1 A 25 25 ALA H H 25 8.480 8.104 0.376 1
1 282 . 6 1 1 A 25 25 ALA HA H 25 4.370 4.487 -0.117 1
1 286 . 6 1 1 A 25 25 ALA C C 25 175.700 176.325 -0.625 1
1 287 . 6 1 1 A 25 25 ALA CA C 25 52.600 51.167 1.433 1
1 288 . 6 1 1 A 25 25 ALA CB C 25 18.100 19.885 -1.785 1
1 289 . 6 1 1 A 25 25 ALA N N 25 122.800 126.050 -3.250 1
1 290 . 6 1 1 A 26 26 GLU H H 26 7.770 8.262 -0.492 1
1 291 . 6 1 1 A 26 26 GLU HA H 26 5.100 4.900 0.200 1
1 296 . 6 1 1 A 26 26 GLU C C 26 174.600 174.771 -0.171 1
1 297 . 6 1 1 A 26 26 GLU CA C 26 54.700 54.892 -0.192 1
1 298 . 6 1 1 A 26 26 GLU CB C 26 35.100 34.983 0.117 1
1 300 . 6 1 1 A 26 26 GLU N N 26 116.600 116.524 0.076 1
1 301 . 6 1 1 A 27 27 LEU H H 27 9.190 9.316 -0.126 1
1 302 . 6 1 1 A 27 27 LEU HA H 27 5.010 5.134 -0.124 1
1 312 . 6 1 1 A 27 27 LEU C C 27 175.500 176.200 -0.700 1
1 313 . 6 1 1 A 27 27 LEU CA C 27 53.200 53.618 -0.418 1
1 314 . 6 1 1 A 27 27 LEU CB C 27 44.400 43.376 1.024 1
1 318 . 6 1 1 A 27 27 LEU N N 27 120.900 122.377 -1.477 1
1 319 . 6 1 1 A 28 28 ILE H H 28 9.480 9.475 0.005 1
1 320 . 6 1 1 A 28 28 ILE HA H 28 4.770 4.940 -0.170 1
1 330 . 6 1 1 A 28 28 ILE C C 28 175.300 175.101 0.199 1
1 331 . 6 1 1 A 28 28 ILE CA C 28 60.000 59.083 0.917 1
1 332 . 6 1 1 A 28 28 ILE CB C 28 39.700 40.273 -0.573 1
1 336 . 6 1 1 A 28 28 ILE N N 28 123.300 121.213 2.087 1
1 337 . 6 1 1 A 29 29 CYS H H 29 9.160 9.184 -0.024 1
1 338 . 6 1 1 A 29 29 CYS HA H 29 4.250 4.630 -0.380 1
1 341 . 6 1 1 A 29 29 CYS C C 29 176.700 175.293 1.407 1
1 342 . 6 1 1 A 29 29 CYS CA C 29 62.000 59.652 2.348 1
1 343 . 6 1 1 A 29 29 CYS CB C 29 30.400 27.793 2.607 1
1 344 . 6 1 1 A 29 29 CYS N N 29 130.800 123.055 7.745 1
1 345 . 6 1 1 A 30 30 THR H H 30 7.840 8.910 -1.070 1
1 346 . 6 1 1 A 30 30 THR HA H 30 4.280 4.161 0.119 1
1 351 . 6 1 1 A 30 30 THR C C 30 175.300 174.668 0.632 1
1 352 . 6 1 1 A 30 30 THR CA C 30 62.400 64.332 -1.932 1
1 353 . 6 1 1 A 30 30 THR CB C 30 70.500 69.017 1.483 1
1 355 . 6 1 1 A 30 30 THR N N 30 118.800 119.255 -0.455 1
1 356 . 6 1 1 A 31 31 GLY H H 31 10.310 8.448 1.862 1
1 357 . 6 1 1 A 31 31 GLY HA2 H 31 3.710 4.161 -0.451 1
1 358 . 6 1 1 A 31 31 GLY HA3 H 31 3.960 4.186 -0.226 1
1 359 . 6 1 1 A 31 31 GLY C C 31 175.900 175.028 0.872 1
1 360 . 6 1 1 A 31 31 GLY CA C 31 45.300 44.607 0.693 1
1 361 . 6 1 1 A 31 31 GLY N N 31 120.100 111.867 8.233 1
1 362 . 6 1 1 A 32 32 GLN H H 32 8.940 8.843 0.097 1
1 363 . 6 1 1 A 32 32 GLN HA H 32 3.990 3.955 0.035 1
1 370 . 6 1 1 A 32 32 GLN C C 32 176.400 177.534 -1.134 1
1 371 . 6 1 1 A 32 32 GLN CA C 32 58.200 59.109 -0.909 1
1 372 . 6 1 1 A 32 32 GLN CB C 32 28.800 28.427 0.373 1
1 375 . 6 1 1 A 32 32 GLN N N 32 127.200 121.171 6.029 1
1 377 . 6 1 1 A 33 33 ASP H H 33 8.560 8.011 0.549 1
1 378 . 6 1 1 A 33 33 ASP HA H 33 4.610 4.463 0.147 1
1 381 . 6 1 1 A 33 33 ASP C C 33 174.500 177.757 -3.257 1
1 382 . 6 1 1 A 33 33 ASP CA C 33 54.000 55.865 -1.865 1
1 383 . 6 1 1 A 33 33 ASP CB C 33 40.400 40.651 -0.251 1
1 384 . 6 1 1 A 33 33 ASP N N 33 117.200 119.205 -2.005 1
1 385 . 6 1 1 A 34 34 CYS H H 34 7.330 7.624 -0.294 1
1 386 . 6 1 1 A 34 34 CYS HA H 34 4.480 4.323 0.157 1
1 389 . 6 1 1 A 34 34 CYS C C 34 175.500 175.034 0.466 1
1 390 . 6 1 1 A 34 34 CYS CA C 34 60.100 61.276 -1.176 1
1 391 . 6 1 1 A 34 34 CYS CB C 34 31.200 27.956 3.244 1
1 392 . 6 1 1 A 34 34 CYS N N 34 123.800 117.595 6.205 1
1 393 . 6 1 1 A 35 35 GLY H H 35 8.020 8.166 -0.146 1
1 394 . 6 1 1 A 35 35 GLY HA2 H 35 3.940 3.785 0.155 1
1 395 . 6 1 1 A 35 35 GLY HA3 H 35 4.240 3.792 0.448 1
1 396 . 6 1 1 A 35 35 GLY C C 35 173.900 174.183 -0.283 1
1 397 . 6 1 1 A 35 35 GLY CA C 35 46.900 46.911 -0.011 1
1 398 . 6 1 1 A 35 35 GLY N N 35 108.700 108.447 0.253 1
1 399 . 6 1 1 A 36 36 LEU H H 36 7.430 8.207 -0.777 1
1 400 . 6 1 1 A 36 36 LEU HA H 36 3.930 3.849 0.081 1
1 410 . 6 1 1 A 36 36 LEU C C 36 173.800 175.723 -1.923 1
1 411 . 6 1 1 A 36 36 LEU CA C 36 56.400 55.426 0.974 1
1 412 . 6 1 1 A 36 36 LEU CB C 36 43.300 40.864 2.436 1
1 416 . 6 1 1 A 36 36 LEU N N 36 121.100 122.753 -1.653 1
1 417 . 6 1 1 A 37 37 ALA H H 37 7.990 9.035 -1.045 1
1 418 . 6 1 1 A 37 37 ALA HA H 37 5.240 5.096 0.144 1
1 422 . 6 1 1 A 37 37 ALA C C 37 176.700 175.220 1.480 1
1 423 . 6 1 1 A 37 37 ALA CA C 37 49.800 49.912 -0.112 1
1 424 . 6 1 1 A 37 37 ALA CB C 37 22.200 20.703 1.497 1
1 425 . 6 1 1 A 37 37 ALA N N 37 119.900 127.164 -7.264 1
1 426 . 6 1 1 A 38 38 TYR H H 38 9.740 9.271 0.469 1
1 427 . 6 1 1 A 38 38 TYR HA H 38 4.730 5.050 -0.320 1
1 434 . 6 1 1 A 38 38 TYR CA C 38 55.900 55.151 0.749 1
1 435 . 6 1 1 A 38 38 TYR CB C 38 38.800 39.121 -0.321 1
1 440 . 6 1 1 A 38 38 TYR N N 38 125.300 121.519 3.781 1
1 441 . 6 1 1 A 39 39 PRO HA H 39 4.700 4.675 0.025 1
1 448 . 6 1 1 A 39 39 PRO C C 39 175.100 175.726 -0.626 1
1 449 . 6 1 1 A 39 39 PRO CA C 39 63.100 62.352 0.748 1
1 450 . 6 1 1 A 39 39 PRO CB C 39 32.900 32.556 0.344 1
1 453 . 6 1 1 A 40 40 VAL H H 40 7.830 8.591 -0.761 1
1 454 . 6 1 1 A 40 40 VAL HA H 40 4.190 4.281 -0.091 1
1 462 . 6 1 1 A 40 40 VAL C C 40 176.300 174.446 1.854 1
1 463 . 6 1 1 A 40 40 VAL CA C 40 62.100 61.797 0.303 1
1 464 . 6 1 1 A 40 40 VAL CB C 40 32.300 32.482 -0.182 1
1 467 . 6 1 1 A 40 40 VAL N N 40 119.300 120.785 -1.485 1
1 468 . 6 1 1 A 41 41 ARG H H 41 8.410 9.192 -0.782 1
1 469 . 6 1 1 A 41 41 ARG HA H 41 4.680 4.758 -0.078 1
1 476 . 6 1 1 A 41 41 ARG C C 41 175.900 175.216 0.684 1
1 477 . 6 1 1 A 41 41 ARG CA C 41 55.100 54.718 0.382 1
1 478 . 6 1 1 A 41 41 ARG CB C 41 32.200 32.726 -0.526 1
1 481 . 6 1 1 A 41 41 ARG N N 41 127.400 127.589 -0.189 1
1 482 . 6 1 1 A 42 42 ASP H H 42 9.440 9.478 -0.038 1
1 483 . 6 1 1 A 42 42 ASP HA H 42 4.270 4.343 -0.073 1
1 486 . 6 1 1 A 42 42 ASP C C 42 175.800 176.078 -0.278 1
1 487 . 6 1 1 A 42 42 ASP CA C 42 55.400 55.386 0.014 1
1 488 . 6 1 1 A 42 42 ASP CB C 42 39.700 39.274 0.426 1
1 489 . 6 1 1 A 42 42 ASP N N 42 127.200 127.364 -0.164 1
1 490 . 6 1 1 A 43 43 GLY H H 43 8.390 8.398 -0.008 1
1 491 . 6 1 1 A 43 43 GLY HA2 H 43 3.420 3.951 -0.531 1
1 492 . 6 1 1 A 43 43 GLY HA3 H 43 4.100 3.953 0.147 1
1 493 . 6 1 1 A 43 43 GLY C C 43 173.400 173.451 -0.051 1
1 494 . 6 1 1 A 43 43 GLY CA C 43 45.200 45.101 0.099 1
1 495 . 6 1 1 A 43 43 GLY N N 43 102.300 104.845 -2.545 1
1 496 . 6 1 1 A 44 44 ILE H H 44 7.760 8.383 -0.623 1
1 497 . 6 1 1 A 44 44 ILE HA H 44 4.610 4.534 0.076 1
1 507 . 6 1 1 A 44 44 ILE CA C 44 57.300 58.202 -0.902 1
1 508 . 6 1 1 A 44 44 ILE CB C 44 39.500 39.872 -0.372 1
1 512 . 6 1 1 A 44 44 ILE N N 44 121.900 122.341 -0.441 1
1 513 . 6 1 1 A 45 45 PRO HA H 45 4.570 4.514 0.056 1
1 520 . 6 1 1 A 45 45 PRO C C 45 175.900 176.305 -0.405 1
1 521 . 6 1 1 A 45 45 PRO CA C 45 62.600 63.047 -0.447 1
1 522 . 6 1 1 A 45 45 PRO CB C 45 32.400 32.170 0.230 1
1 525 . 6 1 1 A 46 46 VAL H H 46 8.790 8.549 0.241 1
1 526 . 6 1 1 A 46 46 VAL HA H 46 4.050 4.258 -0.208 1
1 534 . 6 1 1 A 46 46 VAL C C 46 175.200 176.191 -0.991 1
1 535 . 6 1 1 A 46 46 VAL CA C 46 61.700 61.702 -0.002 1
1 536 . 6 1 1 A 46 46 VAL CB C 46 30.800 31.872 -1.072 1
1 539 . 6 1 1 A 46 46 VAL N N 46 127.200 122.526 4.674 1
1 540 . 6 1 1 A 47 47 LEU H H 47 8.100 8.864 -0.764 1
1 541 . 6 1 1 A 47 47 LEU HA H 47 4.210 4.486 -0.276 1
1 551 . 6 1 1 A 47 47 LEU C C 47 175.600 176.205 -0.605 1
1 552 . 6 1 1 A 47 47 LEU CA C 47 52.700 53.973 -1.273 1
1 553 . 6 1 1 A 47 47 LEU CB C 47 39.400 40.934 -1.534 1
1 557 . 6 1 1 A 47 47 LEU N N 47 127.100 127.703 -0.603 1
1 558 . 6 1 1 A 48 48 LEU H H 48 7.370 7.645 -0.275 1
1 559 . 6 1 1 A 48 48 LEU HA H 48 4.830 4.549 0.281 1
1 569 . 6 1 1 A 48 48 LEU C C 48 177.900 176.895 1.005 1
1 570 . 6 1 1 A 48 48 LEU CA C 48 52.800 54.078 -1.278 1
1 571 . 6 1 1 A 48 48 LEU CB C 48 44.200 42.344 1.856 1
1 575 . 6 1 1 A 48 48 LEU N N 48 121.200 121.343 -0.143 1
1 576 . 6 1 1 A 49 49 VAL H H 49 9.020 8.648 0.372 1
1 577 . 6 1 1 A 49 49 VAL HA H 49 3.790 3.788 0.002 1
1 585 . 6 1 1 A 49 49 VAL C C 49 178.100 177.340 0.760 1
1 586 . 6 1 1 A 49 49 VAL CA C 49 66.700 66.584 0.116 1
1 587 . 6 1 1 A 49 49 VAL CB C 49 31.900 31.938 -0.038 1
1 590 . 6 1 1 A 49 49 VAL N N 49 124.600 123.148 1.452 1
1 591 . 6 1 1 A 50 50 ASP H H 50 8.750 8.440 0.310 1
1 592 . 6 1 1 A 50 50 ASP HA H 50 4.490 4.380 0.110 1
1 595 . 6 1 1 A 50 50 ASP C C 50 176.900 177.692 -0.792 1
1 596 . 6 1 1 A 50 50 ASP CA C 50 56.200 57.656 -1.456 1
1 597 . 6 1 1 A 50 50 ASP CB C 50 40.400 41.827 -1.427 1
1 598 . 6 1 1 A 50 50 ASP N N 50 117.300 120.207 -2.907 1
1 599 . 6 1 1 A 51 51 GLU H H 51 7.500 7.631 -0.131 1
1 600 . 6 1 1 A 51 51 GLU HA H 51 4.470 4.418 0.052 1
1 605 . 6 1 1 A 51 51 GLU C C 51 175.300 176.377 -1.077 1
1 606 . 6 1 1 A 51 51 GLU CA C 51 55.600 56.317 -0.717 1
1 607 . 6 1 1 A 51 51 GLU CB C 51 30.300 30.384 -0.084 1
1 609 . 6 1 1 A 51 51 GLU N N 51 116.100 116.414 -0.314 1
1 610 . 6 1 1 A 52 52 ALA H H 52 7.370 7.318 0.052 1
1 611 . 6 1 1 A 52 52 ALA HA H 52 4.360 4.283 0.077 1
1 615 . 6 1 1 A 52 52 ALA C C 52 177.100 177.255 -0.155 1
1 616 . 6 1 1 A 52 52 ALA CA C 52 51.900 52.856 -0.956 1
1 617 . 6 1 1 A 52 52 ALA CB C 52 20.900 18.984 1.916 1
1 618 . 6 1 1 A 52 52 ALA N N 52 122.000 123.669 -1.669 1
1 619 . 6 1 1 A 53 53 ARG H H 53 8.880 8.839 0.041 1
1 620 . 6 1 1 A 53 53 ARG HA H 53 4.560 4.583 -0.023 1
1 628 . 6 1 1 A 53 53 ARG C C 53 175.800 175.612 0.188 1
1 629 . 6 1 1 A 53 53 ARG CA C 53 54.900 54.662 0.238 1
1 630 . 6 1 1 A 53 53 ARG CB C 53 32.500 32.636 -0.136 1
1 633 . 6 1 1 A 53 53 ARG N N 53 121.500 120.946 0.554 1
1 635 . 6 1 1 A 54 54 ARG H H 54 8.780 8.339 0.441 1
1 636 . 6 1 1 A 54 54 ARG HA H 54 4.560 4.637 -0.077 1
1 643 . 6 1 1 A 54 54 ARG CA C 54 54.000 53.798 0.202 1
1 644 . 6 1 1 A 54 54 ARG CB C 54 30.100 29.669 0.431 1
1 647 . 6 1 1 A 54 54 ARG N N 54 127.200 122.342 4.858 1
1 648 . 6 1 1 A 55 55 PRO HA H 55 4.380 4.327 0.053 1
1 655 . 6 1 1 A 55 55 PRO C C 55 176.000 177.746 -1.746 1
1 656 . 6 1 1 A 55 55 PRO CA C 55 63.500 63.340 0.160 1
1 657 . 6 1 1 A 55 55 PRO CB C 55 32.000 32.149 -0.149 1
1 3 . 7 1 1 A 2 2 PRO HA H 2 4.460 4.396 0.064 1
1 10 . 7 1 1 A 2 2 PRO C C 2 176.800 177.721 -0.921 1
1 11 . 7 1 1 A 2 2 PRO CA C 2 63.100 64.229 -1.129 1
1 12 . 7 1 1 A 2 2 PRO CB C 2 32.100 32.001 0.099 1
1 15 . 7 1 1 A 3 3 LEU H H 3 8.520 7.990 0.530 1
1 16 . 7 1 1 A 3 3 LEU HA H 3 4.260 4.234 0.026 1
1 26 . 7 1 1 A 3 3 LEU C C 3 177.700 176.874 0.826 1
1 27 . 7 1 1 A 3 3 LEU CA C 3 55.400 56.038 -0.638 1
1 28 . 7 1 1 A 3 3 LEU CB C 3 42.500 41.885 0.615 1
1 32 . 7 1 1 A 3 3 LEU N N 3 122.400 117.418 4.982 1
1 33 . 7 1 1 A 4 4 GLU H H 4 8.430 8.348 0.082 1
1 34 . 7 1 1 A 4 4 GLU HA H 4 4.200 4.655 -0.455 1
1 39 . 7 1 1 A 4 4 GLU C C 4 176.400 176.209 0.191 1
1 40 . 7 1 1 A 4 4 GLU CA C 4 56.600 57.254 -0.654 1
1 41 . 7 1 1 A 4 4 GLU CB C 4 30.200 33.064 -2.864 1
1 43 . 7 1 1 A 4 4 GLU N N 4 122.100 118.514 3.586 1
1 44 . 7 1 1 A 5 5 ALA H H 5 8.420 7.770 0.650 1
1 45 . 7 1 1 A 5 5 ALA HA H 5 4.210 4.169 0.041 1
1 49 . 7 1 1 A 5 5 ALA C C 5 178.700 178.262 0.438 1
1 50 . 7 1 1 A 5 5 ALA CA C 5 53.500 53.316 0.184 1
1 51 . 7 1 1 A 5 5 ALA CB C 5 19.000 19.302 -0.302 1
1 52 . 7 1 1 A 5 5 ALA N N 5 125.900 122.167 3.733 1
1 53 . 7 1 1 A 6 6 GLY H H 6 8.530 8.786 -0.256 1
1 54 . 7 1 1 A 6 6 GLY HA2 H 6 3.910 3.946 -0.036 1
1 55 . 7 1 1 A 6 6 GLY HA3 H 6 3.950 3.946 0.004 1
1 56 . 7 1 1 A 6 6 GLY C C 6 174.700 174.006 0.694 1
1 57 . 7 1 1 A 6 6 GLY CA C 6 45.600 46.106 -0.506 1
1 58 . 7 1 1 A 6 6 GLY N N 6 108.100 109.491 -1.391 1
1 59 . 7 1 1 A 7 7 LEU H H 7 7.850 8.611 -0.761 1
1 60 . 7 1 1 A 7 7 LEU HA H 7 4.300 4.344 -0.044 1
1 70 . 7 1 1 A 7 7 LEU C C 7 177.700 176.197 1.503 1
1 71 . 7 1 1 A 7 7 LEU CA C 7 55.800 56.552 -0.752 1
1 72 . 7 1 1 A 7 7 LEU CB C 7 42.500 41.974 0.526 1
1 76 . 7 1 1 A 7 7 LEU N N 7 121.300 121.316 -0.016 1
1 77 . 7 1 1 A 8 8 LEU H H 8 8.190 8.536 -0.346 1
1 78 . 7 1 1 A 8 8 LEU HA H 8 4.160 3.995 0.165 1
1 88 . 7 1 1 A 8 8 LEU C C 8 177.700 176.396 1.304 1
1 89 . 7 1 1 A 8 8 LEU CA C 8 56.100 57.052 -0.952 1
1 90 . 7 1 1 A 8 8 LEU CB C 8 42.100 40.863 1.237 1
1 94 . 7 1 1 A 8 8 LEU N N 8 120.600 120.328 0.272 1
1 95 . 7 1 1 A 9 9 GLU H H 9 8.150 8.353 -0.203 1
1 96 . 7 1 1 A 9 9 GLU HA H 9 4.240 4.298 -0.058 1
1 101 . 7 1 1 A 9 9 GLU C C 9 176.400 176.065 0.335 1
1 102 . 7 1 1 A 9 9 GLU CA C 9 57.000 56.044 0.956 1
1 103 . 7 1 1 A 9 9 GLU CB C 9 30.200 30.738 -0.538 1
1 105 . 7 1 1 A 9 9 GLU N N 9 118.800 123.892 -5.092 1
1 106 . 7 1 1 A 10 10 ILE H H 10 7.860 8.434 -0.574 1
1 107 . 7 1 1 A 10 10 ILE HA H 10 4.280 4.259 0.021 1
1 117 . 7 1 1 A 10 10 ILE C C 10 176.100 175.578 0.522 1
1 118 . 7 1 1 A 10 10 ILE CA C 10 60.800 60.630 0.170 1
1 119 . 7 1 1 A 10 10 ILE CB C 10 38.900 37.286 1.614 1
1 123 . 7 1 1 A 10 10 ILE N N 10 118.600 121.891 -3.291 1
1 124 . 7 1 1 A 11 11 LEU H H 11 8.250 8.362 -0.112 1
1 125 . 7 1 1 A 11 11 LEU HA H 11 4.380 4.366 0.014 1
1 135 . 7 1 1 A 11 11 LEU C C 11 175.200 176.151 -0.951 1
1 136 . 7 1 1 A 11 11 LEU CA C 11 54.400 54.736 -0.336 1
1 137 . 7 1 1 A 11 11 LEU CB C 11 43.400 42.398 1.002 1
1 141 . 7 1 1 A 11 11 LEU N N 11 125.900 129.109 -3.209 1
1 142 . 7 1 1 A 12 12 ALA H H 12 7.920 8.479 -0.559 1
1 143 . 7 1 1 A 12 12 ALA HA H 12 4.620 4.917 -0.297 1
1 147 . 7 1 1 A 12 12 ALA C C 12 175.700 175.927 -0.227 1
1 148 . 7 1 1 A 12 12 ALA CA C 12 50.100 50.088 0.012 1
1 149 . 7 1 1 A 12 12 ALA CB C 12 22.000 22.003 -0.003 1
1 150 . 7 1 1 A 12 12 ALA N N 12 123.700 121.966 1.734 1
1 151 . 7 1 1 A 13 13 CYS H H 13 9.310 8.398 0.912 1
1 152 . 7 1 1 A 13 13 CYS HA H 13 4.130 4.677 -0.547 1
1 155 . 7 1 1 A 13 13 CYS CA C 13 56.900 57.765 -0.865 1
1 156 . 7 1 1 A 13 13 CYS CB C 13 31.600 27.385 4.215 1
1 157 . 7 1 1 A 13 13 CYS N N 13 124.400 121.210 3.190 1
1 158 . 7 1 1 A 14 14 PRO HA H 14 4.340 4.313 0.027 1
1 165 . 7 1 1 A 14 14 PRO C C 14 176.300 176.920 -0.620 1
1 166 . 7 1 1 A 14 14 PRO CA C 14 64.200 63.598 0.602 1
1 167 . 7 1 1 A 14 14 PRO CB C 14 31.800 31.857 -0.057 1
1 170 . 7 1 1 A 15 15 ALA H H 15 8.690 8.647 0.043 1
1 171 . 7 1 1 A 15 15 ALA HA H 15 4.340 3.934 0.406 1
1 175 . 7 1 1 A 15 15 ALA C C 15 178.300 176.385 1.915 1
1 176 . 7 1 1 A 15 15 ALA CA C 15 54.300 54.784 -0.484 1
1 177 . 7 1 1 A 15 15 ALA CB C 15 20.100 17.332 2.768 1
1 178 . 7 1 1 A 15 15 ALA N N 15 123.400 119.218 4.182 1
1 179 . 7 1 1 A 16 16 CYS H H 16 8.290 8.880 -0.590 1
1 180 . 7 1 1 A 16 16 CYS HA H 16 4.860 4.674 0.186 1
1 183 . 7 1 1 A 16 16 CYS C C 16 176.700 173.911 2.789 1
1 184 . 7 1 1 A 16 16 CYS CA C 16 58.800 57.653 1.147 1
1 185 . 7 1 1 A 16 16 CYS CB C 16 32.600 29.952 2.648 1
1 186 . 7 1 1 A 16 16 CYS N N 16 117.000 115.021 1.979 1
1 187 . 7 1 1 A 17 17 HIS H H 17 8.300 8.730 -0.430 1
1 188 . 7 1 1 A 17 17 HIS HA H 17 4.440 5.249 -0.809 1
1 193 . 7 1 1 A 17 17 HIS C C 17 173.000 173.314 -0.314 1
1 194 . 7 1 1 A 17 17 HIS CA C 17 57.700 54.514 3.186 1
1 195 . 7 1 1 A 17 17 HIS CB C 17 26.500 32.947 -6.447 1
1 198 . 7 1 1 A 17 17 HIS N N 17 117.800 120.986 -3.186 1
1 199 . 7 1 1 A 18 18 ALA H H 18 9.080 8.430 0.650 1
1 200 . 7 1 1 A 18 18 ALA HA H 18 4.640 4.574 0.066 1
1 204 . 7 1 1 A 18 18 ALA CA C 18 52.100 50.667 1.433 1
1 205 . 7 1 1 A 18 18 ALA CB C 18 19.000 22.183 -3.183 1
1 206 . 7 1 1 A 18 18 ALA N N 18 127.600 127.310 0.290 1
1 207 . 7 1 1 A 19 19 PRO HA H 19 4.540 4.618 -0.078 1
1 214 . 7 1 1 A 19 19 PRO C C 19 177.000 175.606 1.394 1
1 215 . 7 1 1 A 19 19 PRO CA C 19 63.300 62.541 0.759 1
1 216 . 7 1 1 A 19 19 PRO CB C 19 32.500 32.426 0.074 1
1 219 . 7 1 1 A 20 20 LEU H H 20 8.450 8.430 0.020 1
1 220 . 7 1 1 A 20 20 LEU HA H 20 5.050 4.902 0.148 1
1 230 . 7 1 1 A 20 20 LEU C C 20 176.700 175.896 0.804 1
1 231 . 7 1 1 A 20 20 LEU CA C 20 53.300 53.557 -0.257 1
1 232 . 7 1 1 A 20 20 LEU CB C 20 44.800 43.759 1.041 1
1 236 . 7 1 1 A 20 20 LEU N N 20 121.400 122.457 -1.057 1
1 237 . 7 1 1 A 21 21 GLU H H 21 9.030 9.387 -0.357 1
1 238 . 7 1 1 A 21 21 GLU HA H 21 4.660 4.844 -0.184 1
1 243 . 7 1 1 A 21 21 GLU C C 21 175.100 175.374 -0.274 1
1 244 . 7 1 1 A 21 21 GLU CA C 21 54.100 54.444 -0.344 1
1 245 . 7 1 1 A 21 21 GLU CB C 21 33.000 32.952 0.048 1
1 247 . 7 1 1 A 21 21 GLU N N 21 120.700 123.335 -2.635 1
1 248 . 7 1 1 A 22 22 GLU H H 22 8.950 8.848 0.102 1
1 249 . 7 1 1 A 22 22 GLU HA H 22 4.630 4.743 -0.113 1
1 254 . 7 1 1 A 22 22 GLU C C 22 176.000 175.340 0.660 1
1 255 . 7 1 1 A 22 22 GLU CA C 22 56.800 56.198 0.602 1
1 256 . 7 1 1 A 22 22 GLU CB C 22 30.200 30.704 -0.504 1
1 258 . 7 1 1 A 22 22 GLU N N 22 125.900 122.842 3.058 1
1 259 . 7 1 1 A 23 23 ARG H H 23 8.830 9.118 -0.288 1
1 260 . 7 1 1 A 23 23 ARG HA H 23 4.500 4.670 -0.170 1
1 267 . 7 1 1 A 23 23 ARG C C 23 175.000 175.377 -0.377 1
1 268 . 7 1 1 A 23 23 ARG CA C 23 55.600 54.997 0.603 1
1 269 . 7 1 1 A 23 23 ARG CB C 23 32.100 32.069 0.031 1
1 272 . 7 1 1 A 23 23 ARG N N 23 128.000 124.981 3.019 1
1 273 . 7 1 1 A 24 24 ASP H H 24 9.150 8.961 0.189 1
1 274 . 7 1 1 A 24 24 ASP HA H 24 4.180 4.219 -0.039 1
1 277 . 7 1 1 A 24 24 ASP C C 24 174.900 175.712 -0.812 1
1 278 . 7 1 1 A 24 24 ASP CA C 24 56.600 56.484 0.116 1
1 279 . 7 1 1 A 24 24 ASP CB C 24 39.600 39.485 0.115 1
1 280 . 7 1 1 A 24 24 ASP N N 24 126.000 124.488 1.512 1
1 281 . 7 1 1 A 25 25 ALA H H 25 8.480 8.388 0.092 1
1 282 . 7 1 1 A 25 25 ALA HA H 25 4.370 4.510 -0.140 1
1 286 . 7 1 1 A 25 25 ALA C C 25 175.700 176.298 -0.598 1
1 287 . 7 1 1 A 25 25 ALA CA C 25 52.600 51.187 1.413 1
1 288 . 7 1 1 A 25 25 ALA CB C 25 18.100 20.050 -1.950 1
1 289 . 7 1 1 A 25 25 ALA N N 25 122.800 123.642 -0.842 1
1 290 . 7 1 1 A 26 26 GLU H H 26 7.770 8.235 -0.465 1
1 291 . 7 1 1 A 26 26 GLU HA H 26 5.100 4.946 0.154 1
1 296 . 7 1 1 A 26 26 GLU C C 26 174.600 174.767 -0.167 1
1 297 . 7 1 1 A 26 26 GLU CA C 26 54.700 54.922 -0.222 1
1 298 . 7 1 1 A 26 26 GLU CB C 26 35.100 34.744 0.356 1
1 300 . 7 1 1 A 26 26 GLU N N 26 116.600 116.661 -0.061 1
1 301 . 7 1 1 A 27 27 LEU H H 27 9.190 9.332 -0.142 1
1 302 . 7 1 1 A 27 27 LEU HA H 27 5.010 5.295 -0.285 1
1 312 . 7 1 1 A 27 27 LEU C C 27 175.500 176.198 -0.698 1
1 313 . 7 1 1 A 27 27 LEU CA C 27 53.200 53.373 -0.173 1
1 314 . 7 1 1 A 27 27 LEU CB C 27 44.400 43.160 1.240 1
1 318 . 7 1 1 A 27 27 LEU N N 27 120.900 122.372 -1.472 1
1 319 . 7 1 1 A 28 28 ILE H H 28 9.480 9.756 -0.276 1
1 320 . 7 1 1 A 28 28 ILE HA H 28 4.770 4.678 0.092 1
1 330 . 7 1 1 A 28 28 ILE C C 28 175.300 175.355 -0.055 1
1 331 . 7 1 1 A 28 28 ILE CA C 28 60.000 59.820 0.180 1
1 332 . 7 1 1 A 28 28 ILE CB C 28 39.700 41.330 -1.630 1
1 336 . 7 1 1 A 28 28 ILE N N 28 123.300 123.087 0.213 1
1 337 . 7 1 1 A 29 29 CYS H H 29 9.160 9.222 -0.062 1
1 338 . 7 1 1 A 29 29 CYS HA H 29 4.250 4.602 -0.352 1
1 341 . 7 1 1 A 29 29 CYS C C 29 176.700 175.726 0.974 1
1 342 . 7 1 1 A 29 29 CYS CA C 29 62.000 59.483 2.517 1
1 343 . 7 1 1 A 29 29 CYS CB C 29 30.400 27.853 2.547 1
1 344 . 7 1 1 A 29 29 CYS N N 29 130.800 125.750 5.050 1
1 345 . 7 1 1 A 30 30 THR H H 30 7.840 9.031 -1.191 1
1 346 . 7 1 1 A 30 30 THR HA H 30 4.280 4.088 0.192 1
1 351 . 7 1 1 A 30 30 THR C C 30 175.300 175.142 0.158 1
1 352 . 7 1 1 A 30 30 THR CA C 30 62.400 63.382 -0.982 1
1 353 . 7 1 1 A 30 30 THR CB C 30 70.500 69.216 1.284 1
1 355 . 7 1 1 A 30 30 THR N N 30 118.800 117.638 1.162 1
1 356 . 7 1 1 A 31 31 GLY H H 31 10.310 7.811 2.499 1
1 357 . 7 1 1 A 31 31 GLY HA2 H 31 3.710 3.928 -0.218 1
1 358 . 7 1 1 A 31 31 GLY HA3 H 31 3.960 3.934 0.026 1
1 359 . 7 1 1 A 31 31 GLY C C 31 175.900 175.205 0.695 1
1 360 . 7 1 1 A 31 31 GLY CA C 31 45.300 45.730 -0.430 1
1 361 . 7 1 1 A 31 31 GLY N N 31 120.100 110.258 9.842 1
1 362 . 7 1 1 A 32 32 GLN H H 32 8.940 7.949 0.991 1
1 363 . 7 1 1 A 32 32 GLN HA H 32 3.990 4.063 -0.073 1
1 370 . 7 1 1 A 32 32 GLN C C 32 176.400 176.870 -0.470 1
1 371 . 7 1 1 A 32 32 GLN CA C 32 58.200 58.471 -0.271 1
1 372 . 7 1 1 A 32 32 GLN CB C 32 28.800 28.525 0.275 1
1 375 . 7 1 1 A 32 32 GLN N N 32 127.200 121.486 5.714 1
1 377 . 7 1 1 A 33 33 ASP H H 33 8.560 8.296 0.264 1
1 378 . 7 1 1 A 33 33 ASP HA H 33 4.610 4.918 -0.308 1
1 381 . 7 1 1 A 33 33 ASP C C 33 174.500 175.808 -1.308 1
1 382 . 7 1 1 A 33 33 ASP CA C 33 54.000 53.690 0.310 1
1 383 . 7 1 1 A 33 33 ASP CB C 33 40.400 42.933 -2.533 1
1 384 . 7 1 1 A 33 33 ASP N N 33 117.200 117.204 -0.004 1
1 385 . 7 1 1 A 34 34 CYS H H 34 7.330 7.907 -0.577 1
1 386 . 7 1 1 A 34 34 CYS HA H 34 4.480 4.692 -0.212 1
1 389 . 7 1 1 A 34 34 CYS C C 34 175.500 175.240 0.260 1
1 390 . 7 1 1 A 34 34 CYS CA C 34 60.100 58.193 1.907 1
1 391 . 7 1 1 A 34 34 CYS CB C 34 31.200 28.147 3.053 1
1 392 . 7 1 1 A 34 34 CYS N N 34 123.800 115.468 8.332 1
1 393 . 7 1 1 A 35 35 GLY H H 35 8.020 8.055 -0.035 1
1 394 . 7 1 1 A 35 35 GLY HA2 H 35 3.940 4.043 -0.103 1
1 395 . 7 1 1 A 35 35 GLY HA3 H 35 4.240 4.053 0.187 1
1 396 . 7 1 1 A 35 35 GLY C C 35 173.900 174.550 -0.650 1
1 397 . 7 1 1 A 35 35 GLY CA C 35 46.900 44.965 1.935 1
1 398 . 7 1 1 A 35 35 GLY N N 35 108.700 108.349 0.351 1
1 399 . 7 1 1 A 36 36 LEU H H 36 7.430 7.936 -0.506 1
1 400 . 7 1 1 A 36 36 LEU HA H 36 3.930 4.360 -0.430 1
1 410 . 7 1 1 A 36 36 LEU C C 36 173.800 175.873 -2.073 1
1 411 . 7 1 1 A 36 36 LEU CA C 36 56.400 54.906 1.494 1
1 412 . 7 1 1 A 36 36 LEU CB C 36 43.300 42.574 0.726 1
1 416 . 7 1 1 A 36 36 LEU N N 36 121.100 122.146 -1.046 1
1 417 . 7 1 1 A 37 37 ALA H H 37 7.990 8.512 -0.522 1
1 418 . 7 1 1 A 37 37 ALA HA H 37 5.240 5.450 -0.210 1
1 422 . 7 1 1 A 37 37 ALA C C 37 176.700 174.814 1.886 1
1 423 . 7 1 1 A 37 37 ALA CA C 37 49.800 50.102 -0.302 1
1 424 . 7 1 1 A 37 37 ALA CB C 37 22.200 23.265 -1.065 1
1 425 . 7 1 1 A 37 37 ALA N N 37 119.900 121.576 -1.676 1
1 426 . 7 1 1 A 38 38 TYR H H 38 9.740 9.473 0.267 1
1 427 . 7 1 1 A 38 38 TYR HA H 38 4.730 4.954 -0.224 1
1 434 . 7 1 1 A 38 38 TYR CA C 38 55.900 55.266 0.634 1
1 435 . 7 1 1 A 38 38 TYR CB C 38 38.800 41.278 -2.478 1
1 440 . 7 1 1 A 38 38 TYR N N 38 125.300 118.695 6.605 1
1 441 . 7 1 1 A 39 39 PRO HA H 39 4.700 4.692 0.008 1
1 448 . 7 1 1 A 39 39 PRO C C 39 175.100 175.391 -0.291 1
1 449 . 7 1 1 A 39 39 PRO CA C 39 63.100 62.359 0.741 1
1 450 . 7 1 1 A 39 39 PRO CB C 39 32.900 32.785 0.115 1
1 453 . 7 1 1 A 40 40 VAL H H 40 7.830 8.430 -0.600 1
1 454 . 7 1 1 A 40 40 VAL HA H 40 4.190 4.586 -0.396 1
1 462 . 7 1 1 A 40 40 VAL C C 40 176.300 174.395 1.905 1
1 463 . 7 1 1 A 40 40 VAL CA C 40 62.100 60.729 1.371 1
1 464 . 7 1 1 A 40 40 VAL CB C 40 32.300 33.914 -1.614 1
1 467 . 7 1 1 A 40 40 VAL N N 40 119.300 118.981 0.319 1
1 468 . 7 1 1 A 41 41 ARG H H 41 8.410 9.288 -0.878 1
1 469 . 7 1 1 A 41 41 ARG HA H 41 4.680 4.679 0.001 1
1 476 . 7 1 1 A 41 41 ARG C C 41 175.900 175.482 0.418 1
1 477 . 7 1 1 A 41 41 ARG CA C 41 55.100 54.781 0.319 1
1 478 . 7 1 1 A 41 41 ARG CB C 41 32.200 31.829 0.371 1
1 481 . 7 1 1 A 41 41 ARG N N 41 127.400 127.931 -0.531 1
1 482 . 7 1 1 A 42 42 ASP H H 42 9.440 9.345 0.095 1
1 483 . 7 1 1 A 42 42 ASP HA H 42 4.270 4.263 0.007 1
1 486 . 7 1 1 A 42 42 ASP C C 42 175.800 175.162 0.638 1
1 487 . 7 1 1 A 42 42 ASP CA C 42 55.400 55.064 0.336 1
1 488 . 7 1 1 A 42 42 ASP CB C 42 39.700 40.030 -0.330 1
1 489 . 7 1 1 A 42 42 ASP N N 42 127.200 127.189 0.011 1
1 490 . 7 1 1 A 43 43 GLY H H 43 8.390 8.569 -0.179 1
1 491 . 7 1 1 A 43 43 GLY HA2 H 43 3.420 3.812 -0.392 1
1 492 . 7 1 1 A 43 43 GLY HA3 H 43 4.100 3.813 0.287 1
1 493 . 7 1 1 A 43 43 GLY C C 43 173.400 173.734 -0.334 1
1 494 . 7 1 1 A 43 43 GLY CA C 43 45.200 45.442 -0.242 1
1 495 . 7 1 1 A 43 43 GLY N N 43 102.300 104.545 -2.245 1
1 496 . 7 1 1 A 44 44 ILE H H 44 7.760 8.216 -0.456 1
1 497 . 7 1 1 A 44 44 ILE HA H 44 4.610 4.331 0.279 1
1 507 . 7 1 1 A 44 44 ILE CA C 44 57.300 58.011 -0.711 1
1 508 . 7 1 1 A 44 44 ILE CB C 44 39.500 38.831 0.669 1
1 512 . 7 1 1 A 44 44 ILE N N 44 121.900 122.497 -0.597 1
1 513 . 7 1 1 A 45 45 PRO HA H 45 4.570 4.413 0.157 1
1 520 . 7 1 1 A 45 45 PRO C C 45 175.900 176.344 -0.444 1
1 521 . 7 1 1 A 45 45 PRO CA C 45 62.600 63.031 -0.431 1
1 522 . 7 1 1 A 45 45 PRO CB C 45 32.400 32.179 0.221 1
1 525 . 7 1 1 A 46 46 VAL H H 46 8.790 8.624 0.166 1
1 526 . 7 1 1 A 46 46 VAL HA H 46 4.050 4.187 -0.137 1
1 534 . 7 1 1 A 46 46 VAL C C 46 175.200 175.881 -0.681 1
1 535 . 7 1 1 A 46 46 VAL CA C 46 61.700 61.833 -0.133 1
1 536 . 7 1 1 A 46 46 VAL CB C 46 30.800 30.994 -0.194 1
1 539 . 7 1 1 A 46 46 VAL N N 46 127.200 122.962 4.238 1
1 540 . 7 1 1 A 47 47 LEU H H 47 8.100 8.889 -0.789 1
1 541 . 7 1 1 A 47 47 LEU HA H 47 4.210 4.430 -0.220 1
1 551 . 7 1 1 A 47 47 LEU C C 47 175.600 175.228 0.372 1
1 552 . 7 1 1 A 47 47 LEU CA C 47 52.700 53.924 -1.224 1
1 553 . 7 1 1 A 47 47 LEU CB C 47 39.400 41.678 -2.278 1
1 557 . 7 1 1 A 47 47 LEU N N 47 127.100 127.985 -0.885 1
1 558 . 7 1 1 A 48 48 LEU H H 48 7.370 7.415 -0.045 1
1 559 . 7 1 1 A 48 48 LEU HA H 48 4.830 4.584 0.246 1
1 569 . 7 1 1 A 48 48 LEU C C 48 177.900 176.906 0.994 1
1 570 . 7 1 1 A 48 48 LEU CA C 48 52.800 53.573 -0.773 1
1 571 . 7 1 1 A 48 48 LEU CB C 48 44.200 42.975 1.225 1
1 575 . 7 1 1 A 48 48 LEU N N 48 121.200 121.904 -0.704 1
1 576 . 7 1 1 A 49 49 VAL H H 49 9.020 8.582 0.438 1
1 577 . 7 1 1 A 49 49 VAL HA H 49 3.790 3.784 0.006 1
1 585 . 7 1 1 A 49 49 VAL C C 49 178.100 177.258 0.842 1
1 586 . 7 1 1 A 49 49 VAL CA C 49 66.700 66.654 0.046 1
1 587 . 7 1 1 A 49 49 VAL CB C 49 31.900 31.927 -0.027 1
1 590 . 7 1 1 A 49 49 VAL N N 49 124.600 123.152 1.448 1
1 591 . 7 1 1 A 50 50 ASP H H 50 8.750 9.020 -0.270 1
1 592 . 7 1 1 A 50 50 ASP HA H 50 4.490 4.309 0.181 1
1 595 . 7 1 1 A 50 50 ASP C C 50 176.900 177.468 -0.568 1
1 596 . 7 1 1 A 50 50 ASP CA C 50 56.200 56.809 -0.609 1
1 597 . 7 1 1 A 50 50 ASP CB C 50 40.400 39.838 0.562 1
1 598 . 7 1 1 A 50 50 ASP N N 50 117.300 119.312 -2.012 1
1 599 . 7 1 1 A 51 51 GLU H H 51 7.500 7.814 -0.314 1
1 600 . 7 1 1 A 51 51 GLU HA H 51 4.470 4.405 0.065 1
1 605 . 7 1 1 A 51 51 GLU C C 51 175.300 176.684 -1.384 1
1 606 . 7 1 1 A 51 51 GLU CA C 51 55.600 56.058 -0.458 1
1 607 . 7 1 1 A 51 51 GLU CB C 51 30.300 29.720 0.580 1
1 609 . 7 1 1 A 51 51 GLU N N 51 116.100 118.692 -2.592 1
1 610 . 7 1 1 A 52 52 ALA H H 52 7.370 7.568 -0.198 1
1 611 . 7 1 1 A 52 52 ALA HA H 52 4.360 4.004 0.356 1
1 615 . 7 1 1 A 52 52 ALA C C 52 177.100 176.643 0.457 1
1 616 . 7 1 1 A 52 52 ALA CA C 52 51.900 52.952 -1.052 1
1 617 . 7 1 1 A 52 52 ALA CB C 52 20.900 19.074 1.826 1
1 618 . 7 1 1 A 52 52 ALA N N 52 122.000 122.295 -0.295 1
1 619 . 7 1 1 A 53 53 ARG H H 53 8.880 8.576 0.304 1
1 620 . 7 1 1 A 53 53 ARG HA H 53 4.560 4.984 -0.424 1
1 628 . 7 1 1 A 53 53 ARG C C 53 175.800 175.078 0.722 1
1 629 . 7 1 1 A 53 53 ARG CA C 53 54.900 54.368 0.532 1
1 630 . 7 1 1 A 53 53 ARG CB C 53 32.500 33.285 -0.785 1
1 633 . 7 1 1 A 53 53 ARG N N 53 121.500 122.545 -1.045 1
1 635 . 7 1 1 A 54 54 ARG H H 54 8.780 8.349 0.431 1
1 636 . 7 1 1 A 54 54 ARG HA H 54 4.560 4.646 -0.086 1
1 643 . 7 1 1 A 54 54 ARG CA C 54 54.000 53.821 0.179 1
1 644 . 7 1 1 A 54 54 ARG CB C 54 30.100 29.649 0.451 1
1 647 . 7 1 1 A 54 54 ARG N N 54 127.200 125.348 1.852 1
1 648 . 7 1 1 A 55 55 PRO HA H 55 4.380 4.751 -0.371 1
1 655 . 7 1 1 A 55 55 PRO C C 55 176.000 175.252 0.748 1
1 656 . 7 1 1 A 55 55 PRO CA C 55 63.500 62.904 0.596 1
1 657 . 7 1 1 A 55 55 PRO CB C 55 32.000 32.818 -0.818 1
1 3 . 8 1 1 A 2 2 PRO HA H 2 4.460 4.505 -0.045 1
1 10 . 8 1 1 A 2 2 PRO C C 2 176.800 176.444 0.356 1
1 11 . 8 1 1 A 2 2 PRO CA C 2 63.100 62.912 0.188 1
1 12 . 8 1 1 A 2 2 PRO CB C 2 32.100 31.844 0.256 1
1 15 . 8 1 1 A 3 3 LEU H H 3 8.520 8.417 0.103 1
1 16 . 8 1 1 A 3 3 LEU HA H 3 4.260 4.104 0.156 1
1 26 . 8 1 1 A 3 3 LEU C C 3 177.700 177.166 0.534 1
1 27 . 8 1 1 A 3 3 LEU CA C 3 55.400 54.584 0.816 1
1 28 . 8 1 1 A 3 3 LEU CB C 3 42.500 41.665 0.835 1
1 32 . 8 1 1 A 3 3 LEU N N 3 122.400 123.394 -0.994 1
1 33 . 8 1 1 A 4 4 GLU H H 4 8.430 9.005 -0.575 1
1 34 . 8 1 1 A 4 4 GLU HA H 4 4.200 3.962 0.238 1
1 39 . 8 1 1 A 4 4 GLU C C 4 176.400 176.028 0.372 1
1 40 . 8 1 1 A 4 4 GLU CA C 4 56.600 58.481 -1.881 1
1 41 . 8 1 1 A 4 4 GLU CB C 4 30.200 28.310 1.890 1
1 43 . 8 1 1 A 4 4 GLU N N 4 122.100 118.544 3.556 1
1 44 . 8 1 1 A 5 5 ALA H H 5 8.420 8.383 0.037 1
1 45 . 8 1 1 A 5 5 ALA HA H 5 4.210 4.646 -0.436 1
1 49 . 8 1 1 A 5 5 ALA C C 5 178.700 177.236 1.464 1
1 50 . 8 1 1 A 5 5 ALA CA C 5 53.500 50.663 2.837 1
1 51 . 8 1 1 A 5 5 ALA CB C 5 19.000 19.564 -0.564 1
1 52 . 8 1 1 A 5 5 ALA N N 5 125.900 126.596 -0.696 1
1 53 . 8 1 1 A 6 6 GLY H H 6 8.530 8.323 0.207 1
1 54 . 8 1 1 A 6 6 GLY HA2 H 6 3.910 3.846 0.064 1
1 55 . 8 1 1 A 6 6 GLY HA3 H 6 3.950 3.846 0.104 1
1 56 . 8 1 1 A 6 6 GLY C C 6 174.700 174.512 0.188 1
1 57 . 8 1 1 A 6 6 GLY CA C 6 45.600 46.550 -0.950 1
1 58 . 8 1 1 A 6 6 GLY N N 6 108.100 108.752 -0.652 1
1 59 . 8 1 1 A 7 7 LEU H H 7 7.850 8.285 -0.435 1
1 60 . 8 1 1 A 7 7 LEU HA H 7 4.300 4.055 0.245 1
1 70 . 8 1 1 A 7 7 LEU C C 7 177.700 176.091 1.609 1
1 71 . 8 1 1 A 7 7 LEU CA C 7 55.800 55.600 0.200 1
1 72 . 8 1 1 A 7 7 LEU CB C 7 42.500 41.190 1.310 1
1 76 . 8 1 1 A 7 7 LEU N N 7 121.300 121.242 0.058 1
1 77 . 8 1 1 A 8 8 LEU H H 8 8.190 8.870 -0.680 1
1 78 . 8 1 1 A 8 8 LEU HA H 8 4.160 4.170 -0.010 1
1 88 . 8 1 1 A 8 8 LEU C C 8 177.700 176.447 1.253 1
1 89 . 8 1 1 A 8 8 LEU CA C 8 56.100 56.271 -0.171 1
1 90 . 8 1 1 A 8 8 LEU CB C 8 42.100 41.935 0.165 1
1 94 . 8 1 1 A 8 8 LEU N N 8 120.600 127.727 -7.127 1
1 95 . 8 1 1 A 9 9 GLU H H 9 8.150 9.085 -0.935 1
1 96 . 8 1 1 A 9 9 GLU HA H 9 4.240 3.959 0.281 1
1 101 . 8 1 1 A 9 9 GLU C C 9 176.400 176.178 0.222 1
1 102 . 8 1 1 A 9 9 GLU CA C 9 57.000 57.249 -0.249 1
1 103 . 8 1 1 A 9 9 GLU CB C 9 30.200 28.242 1.958 1
1 105 . 8 1 1 A 9 9 GLU N N 9 118.800 120.866 -2.066 1
1 106 . 8 1 1 A 10 10 ILE H H 10 7.860 8.037 -0.177 1
1 107 . 8 1 1 A 10 10 ILE HA H 10 4.280 4.608 -0.328 1
1 117 . 8 1 1 A 10 10 ILE C C 10 176.100 174.331 1.769 1
1 118 . 8 1 1 A 10 10 ILE CA C 10 60.800 60.502 0.298 1
1 119 . 8 1 1 A 10 10 ILE CB C 10 38.900 39.686 -0.786 1
1 123 . 8 1 1 A 10 10 ILE N N 10 118.600 124.886 -6.286 1
1 124 . 8 1 1 A 11 11 LEU H H 11 8.250 9.003 -0.753 1
1 125 . 8 1 1 A 11 11 LEU HA H 11 4.380 5.144 -0.764 1
1 135 . 8 1 1 A 11 11 LEU C C 11 175.200 175.656 -0.456 1
1 136 . 8 1 1 A 11 11 LEU CA C 11 54.400 53.587 0.813 1
1 137 . 8 1 1 A 11 11 LEU CB C 11 43.400 43.602 -0.202 1
1 141 . 8 1 1 A 11 11 LEU N N 11 125.900 131.063 -5.163 1
1 142 . 8 1 1 A 12 12 ALA H H 12 7.920 8.682 -0.762 1
1 143 . 8 1 1 A 12 12 ALA HA H 12 4.620 4.991 -0.371 1
1 147 . 8 1 1 A 12 12 ALA C C 12 175.700 175.211 0.489 1
1 148 . 8 1 1 A 12 12 ALA CA C 12 50.100 51.223 -1.123 1
1 149 . 8 1 1 A 12 12 ALA CB C 12 22.000 23.255 -1.255 1
1 150 . 8 1 1 A 12 12 ALA N N 12 123.700 124.097 -0.397 1
1 151 . 8 1 1 A 13 13 CYS H H 13 9.310 8.437 0.873 1
1 152 . 8 1 1 A 13 13 CYS HA H 13 4.130 4.738 -0.608 1
1 155 . 8 1 1 A 13 13 CYS CA C 13 56.900 56.256 0.644 1
1 156 . 8 1 1 A 13 13 CYS CB C 13 31.600 29.127 2.473 1
1 157 . 8 1 1 A 13 13 CYS N N 13 124.400 120.045 4.355 1
1 158 . 8 1 1 A 14 14 PRO HA H 14 4.340 4.296 0.044 1
1 165 . 8 1 1 A 14 14 PRO C C 14 176.300 176.082 0.218 1
1 166 . 8 1 1 A 14 14 PRO CA C 14 64.200 63.614 0.586 1
1 167 . 8 1 1 A 14 14 PRO CB C 14 31.800 31.343 0.457 1
1 170 . 8 1 1 A 15 15 ALA H H 15 8.690 8.335 0.355 1
1 171 . 8 1 1 A 15 15 ALA HA H 15 4.340 4.425 -0.085 1
1 175 . 8 1 1 A 15 15 ALA C C 15 178.300 177.426 0.874 1
1 176 . 8 1 1 A 15 15 ALA CA C 15 54.300 52.975 1.325 1
1 177 . 8 1 1 A 15 15 ALA CB C 15 20.100 19.870 0.230 1
1 178 . 8 1 1 A 15 15 ALA N N 15 123.400 120.499 2.901 1
1 179 . 8 1 1 A 16 16 CYS H H 16 8.290 8.141 0.149 1
1 180 . 8 1 1 A 16 16 CYS HA H 16 4.860 4.492 0.368 1
1 183 . 8 1 1 A 16 16 CYS C C 16 176.700 175.005 1.695 1
1 184 . 8 1 1 A 16 16 CYS CA C 16 58.800 58.606 0.194 1
1 185 . 8 1 1 A 16 16 CYS CB C 16 32.600 26.946 5.654 1
1 186 . 8 1 1 A 16 16 CYS N N 16 117.000 114.957 2.043 1
1 187 . 8 1 1 A 17 17 HIS H H 17 8.300 7.582 0.718 1
1 188 . 8 1 1 A 17 17 HIS HA H 17 4.440 4.409 0.031 1
1 193 . 8 1 1 A 17 17 HIS C C 17 173.000 174.291 -1.291 1
1 194 . 8 1 1 A 17 17 HIS CA C 17 57.700 57.075 0.625 1
1 195 . 8 1 1 A 17 17 HIS CB C 17 26.500 26.810 -0.310 1
1 198 . 8 1 1 A 17 17 HIS N N 17 117.800 114.812 2.988 1
1 199 . 8 1 1 A 18 18 ALA H H 18 9.080 7.721 1.359 1
1 200 . 8 1 1 A 18 18 ALA HA H 18 4.640 4.390 0.250 1
1 204 . 8 1 1 A 18 18 ALA CA C 18 52.100 51.001 1.099 1
1 205 . 8 1 1 A 18 18 ALA CB C 18 19.000 18.675 0.325 1
1 206 . 8 1 1 A 18 18 ALA N N 18 127.600 122.212 5.388 1
1 207 . 8 1 1 A 19 19 PRO HA H 19 4.540 4.649 -0.109 1
1 214 . 8 1 1 A 19 19 PRO C C 19 177.000 175.601 1.399 1
1 215 . 8 1 1 A 19 19 PRO CA C 19 63.300 62.687 0.613 1
1 216 . 8 1 1 A 19 19 PRO CB C 19 32.500 32.268 0.232 1
1 219 . 8 1 1 A 20 20 LEU H H 20 8.450 8.444 0.006 1
1 220 . 8 1 1 A 20 20 LEU HA H 20 5.050 5.062 -0.012 1
1 230 . 8 1 1 A 20 20 LEU C C 20 176.700 175.280 1.420 1
1 231 . 8 1 1 A 20 20 LEU CA C 20 53.300 53.212 0.088 1
1 232 . 8 1 1 A 20 20 LEU CB C 20 44.800 44.913 -0.113 1
1 236 . 8 1 1 A 20 20 LEU N N 20 121.400 121.335 0.065 1
1 237 . 8 1 1 A 21 21 GLU H H 21 9.030 9.321 -0.291 1
1 238 . 8 1 1 A 21 21 GLU HA H 21 4.660 5.041 -0.381 1
1 243 . 8 1 1 A 21 21 GLU C C 21 175.100 175.170 -0.070 1
1 244 . 8 1 1 A 21 21 GLU CA C 21 54.100 54.726 -0.626 1
1 245 . 8 1 1 A 21 21 GLU CB C 21 33.000 33.020 -0.020 1
1 247 . 8 1 1 A 21 21 GLU N N 21 120.700 122.793 -2.093 1
1 248 . 8 1 1 A 22 22 GLU H H 22 8.950 8.762 0.188 1
1 249 . 8 1 1 A 22 22 GLU HA H 22 4.630 4.738 -0.108 1
1 254 . 8 1 1 A 22 22 GLU C C 22 176.000 175.527 0.473 1
1 255 . 8 1 1 A 22 22 GLU CA C 22 56.800 56.467 0.333 1
1 256 . 8 1 1 A 22 22 GLU CB C 22 30.200 30.373 -0.173 1
1 258 . 8 1 1 A 22 22 GLU N N 22 125.900 126.062 -0.162 1
1 259 . 8 1 1 A 23 23 ARG H H 23 8.830 9.177 -0.347 1
1 260 . 8 1 1 A 23 23 ARG HA H 23 4.500 4.641 -0.141 1
1 267 . 8 1 1 A 23 23 ARG C C 23 175.000 175.297 -0.297 1
1 268 . 8 1 1 A 23 23 ARG CA C 23 55.600 55.367 0.233 1
1 269 . 8 1 1 A 23 23 ARG CB C 23 32.100 32.423 -0.323 1
1 272 . 8 1 1 A 23 23 ARG N N 23 128.000 124.741 3.259 1
1 273 . 8 1 1 A 24 24 ASP H H 24 9.150 9.015 0.135 1
1 274 . 8 1 1 A 24 24 ASP HA H 24 4.180 4.277 -0.097 1
1 277 . 8 1 1 A 24 24 ASP C C 24 174.900 175.679 -0.779 1
1 278 . 8 1 1 A 24 24 ASP CA C 24 56.600 56.473 0.127 1
1 279 . 8 1 1 A 24 24 ASP CB C 24 39.600 39.516 0.084 1
1 280 . 8 1 1 A 24 24 ASP N N 24 126.000 124.979 1.021 1
1 281 . 8 1 1 A 25 25 ALA H H 25 8.480 8.178 0.302 1
1 282 . 8 1 1 A 25 25 ALA HA H 25 4.370 4.491 -0.121 1
1 286 . 8 1 1 A 25 25 ALA C C 25 175.700 176.633 -0.933 1
1 287 . 8 1 1 A 25 25 ALA CA C 25 52.600 51.142 1.458 1
1 288 . 8 1 1 A 25 25 ALA CB C 25 18.100 19.947 -1.847 1
1 289 . 8 1 1 A 25 25 ALA N N 25 122.800 125.488 -2.688 1
1 290 . 8 1 1 A 26 26 GLU H H 26 7.770 8.269 -0.499 1
1 291 . 8 1 1 A 26 26 GLU HA H 26 5.100 5.054 0.046 1
1 296 . 8 1 1 A 26 26 GLU C C 26 174.600 174.332 0.268 1
1 297 . 8 1 1 A 26 26 GLU CA C 26 54.700 54.633 0.067 1
1 298 . 8 1 1 A 26 26 GLU CB C 26 35.100 32.985 2.115 1
1 300 . 8 1 1 A 26 26 GLU N N 26 116.600 116.271 0.329 1
1 301 . 8 1 1 A 27 27 LEU H H 27 9.190 9.461 -0.271 1
1 302 . 8 1 1 A 27 27 LEU HA H 27 5.010 5.484 -0.474 1
1 312 . 8 1 1 A 27 27 LEU C C 27 175.500 175.884 -0.384 1
1 313 . 8 1 1 A 27 27 LEU CA C 27 53.200 53.501 -0.301 1
1 314 . 8 1 1 A 27 27 LEU CB C 27 44.400 43.974 0.426 1
1 318 . 8 1 1 A 27 27 LEU N N 27 120.900 123.033 -2.133 1
1 319 . 8 1 1 A 28 28 ILE H H 28 9.480 9.691 -0.211 1
1 320 . 8 1 1 A 28 28 ILE HA H 28 4.770 4.638 0.132 1
1 330 . 8 1 1 A 28 28 ILE C C 28 175.300 175.515 -0.215 1
1 331 . 8 1 1 A 28 28 ILE CA C 28 60.000 59.827 0.173 1
1 332 . 8 1 1 A 28 28 ILE CB C 28 39.700 40.779 -1.079 1
1 336 . 8 1 1 A 28 28 ILE N N 28 123.300 123.361 -0.061 1
1 337 . 8 1 1 A 29 29 CYS H H 29 9.160 9.415 -0.255 1
1 338 . 8 1 1 A 29 29 CYS HA H 29 4.250 4.615 -0.365 1
1 341 . 8 1 1 A 29 29 CYS C C 29 176.700 177.006 -0.306 1
1 342 . 8 1 1 A 29 29 CYS CA C 29 62.000 60.193 1.807 1
1 343 . 8 1 1 A 29 29 CYS CB C 29 30.400 28.536 1.864 1
1 344 . 8 1 1 A 29 29 CYS N N 29 130.800 127.942 2.858 1
1 345 . 8 1 1 A 30 30 THR H H 30 7.840 9.143 -1.303 1
1 346 . 8 1 1 A 30 30 THR HA H 30 4.280 4.287 -0.007 1
1 351 . 8 1 1 A 30 30 THR C C 30 175.300 175.475 -0.175 1
1 352 . 8 1 1 A 30 30 THR CA C 30 62.400 63.594 -1.194 1
1 353 . 8 1 1 A 30 30 THR CB C 30 70.500 69.055 1.445 1
1 355 . 8 1 1 A 30 30 THR N N 30 118.800 118.745 0.055 1
1 356 . 8 1 1 A 31 31 GLY H H 31 10.310 7.815 2.495 1
1 357 . 8 1 1 A 31 31 GLY HA2 H 31 3.710 4.004 -0.294 1
1 358 . 8 1 1 A 31 31 GLY HA3 H 31 3.960 4.007 -0.047 1
1 359 . 8 1 1 A 31 31 GLY C C 31 175.900 175.309 0.591 1
1 360 . 8 1 1 A 31 31 GLY CA C 31 45.300 45.619 -0.319 1
1 361 . 8 1 1 A 31 31 GLY N N 31 120.100 110.654 9.446 1
1 362 . 8 1 1 A 32 32 GLN H H 32 8.940 8.835 0.105 1
1 363 . 8 1 1 A 32 32 GLN HA H 32 3.990 3.942 0.048 1
1 370 . 8 1 1 A 32 32 GLN C C 32 176.400 177.262 -0.862 1
1 371 . 8 1 1 A 32 32 GLN CA C 32 58.200 58.149 0.051 1
1 372 . 8 1 1 A 32 32 GLN CB C 32 28.800 28.403 0.397 1
1 375 . 8 1 1 A 32 32 GLN N N 32 127.200 123.726 3.474 1
1 377 . 8 1 1 A 33 33 ASP H H 33 8.560 8.008 0.552 1
1 378 . 8 1 1 A 33 33 ASP HA H 33 4.610 4.442 0.168 1
1 381 . 8 1 1 A 33 33 ASP C C 33 174.500 177.678 -3.178 1
1 382 . 8 1 1 A 33 33 ASP CA C 33 54.000 55.747 -1.747 1
1 383 . 8 1 1 A 33 33 ASP CB C 33 40.400 40.800 -0.400 1
1 384 . 8 1 1 A 33 33 ASP N N 33 117.200 117.626 -0.426 1
1 385 . 8 1 1 A 34 34 CYS H H 34 7.330 7.676 -0.346 1
1 386 . 8 1 1 A 34 34 CYS HA H 34 4.480 4.440 0.040 1
1 389 . 8 1 1 A 34 34 CYS C C 34 175.500 175.324 0.176 1
1 390 . 8 1 1 A 34 34 CYS CA C 34 60.100 61.072 -0.972 1
1 391 . 8 1 1 A 34 34 CYS CB C 34 31.200 28.689 2.511 1
1 392 . 8 1 1 A 34 34 CYS N N 34 123.800 116.898 6.902 1
1 393 . 8 1 1 A 35 35 GLY H H 35 8.020 8.011 0.009 1
1 394 . 8 1 1 A 35 35 GLY HA2 H 35 3.940 3.937 0.003 1
1 395 . 8 1 1 A 35 35 GLY HA3 H 35 4.240 3.946 0.294 1
1 396 . 8 1 1 A 35 35 GLY C C 35 173.900 174.781 -0.881 1
1 397 . 8 1 1 A 35 35 GLY CA C 35 46.900 46.382 0.518 1
1 398 . 8 1 1 A 35 35 GLY N N 35 108.700 108.744 -0.044 1
1 399 . 8 1 1 A 36 36 LEU H H 36 7.430 8.057 -0.627 1
1 400 . 8 1 1 A 36 36 LEU HA H 36 3.930 4.309 -0.379 1
1 410 . 8 1 1 A 36 36 LEU C C 36 173.800 175.978 -2.178 1
1 411 . 8 1 1 A 36 36 LEU CA C 36 56.400 54.503 1.897 1
1 412 . 8 1 1 A 36 36 LEU CB C 36 43.300 42.274 1.026 1
1 416 . 8 1 1 A 36 36 LEU N N 36 121.100 123.097 -1.997 1
1 417 . 8 1 1 A 37 37 ALA H H 37 7.990 8.497 -0.507 1
1 418 . 8 1 1 A 37 37 ALA HA H 37 5.240 5.221 0.019 1
1 422 . 8 1 1 A 37 37 ALA C C 37 176.700 174.622 2.078 1
1 423 . 8 1 1 A 37 37 ALA CA C 37 49.800 50.191 -0.391 1
1 424 . 8 1 1 A 37 37 ALA CB C 37 22.200 22.738 -0.538 1
1 425 . 8 1 1 A 37 37 ALA N N 37 119.900 123.053 -3.153 1
1 426 . 8 1 1 A 38 38 TYR H H 38 9.740 9.356 0.384 1
1 427 . 8 1 1 A 38 38 TYR HA H 38 4.730 5.000 -0.270 1
1 434 . 8 1 1 A 38 38 TYR CA C 38 55.900 55.020 0.880 1
1 435 . 8 1 1 A 38 38 TYR CB C 38 38.800 40.516 -1.716 1
1 440 . 8 1 1 A 38 38 TYR N N 38 125.300 119.158 6.142 1
1 441 . 8 1 1 A 39 39 PRO HA H 39 4.700 4.650 0.050 1
1 448 . 8 1 1 A 39 39 PRO C C 39 175.100 176.347 -1.247 1
1 449 . 8 1 1 A 39 39 PRO CA C 39 63.100 62.473 0.627 1
1 450 . 8 1 1 A 39 39 PRO CB C 39 32.900 32.476 0.424 1
1 453 . 8 1 1 A 40 40 VAL H H 40 7.830 8.366 -0.536 1
1 454 . 8 1 1 A 40 40 VAL HA H 40 4.190 4.252 -0.062 1
1 462 . 8 1 1 A 40 40 VAL C C 40 176.300 175.547 0.753 1
1 463 . 8 1 1 A 40 40 VAL CA C 40 62.100 62.469 -0.369 1
1 464 . 8 1 1 A 40 40 VAL CB C 40 32.300 31.762 0.538 1
1 467 . 8 1 1 A 40 40 VAL N N 40 119.300 122.501 -3.201 1
1 468 . 8 1 1 A 41 41 ARG H H 41 8.410 9.116 -0.706 1
1 469 . 8 1 1 A 41 41 ARG HA H 41 4.680 4.770 -0.090 1
1 476 . 8 1 1 A 41 41 ARG C C 41 175.900 175.503 0.397 1
1 477 . 8 1 1 A 41 41 ARG CA C 41 55.100 53.944 1.156 1
1 478 . 8 1 1 A 41 41 ARG CB C 41 32.200 33.184 -0.984 1
1 481 . 8 1 1 A 41 41 ARG N N 41 127.400 127.284 0.116 1
1 482 . 8 1 1 A 42 42 ASP H H 42 9.440 9.426 0.014 1
1 483 . 8 1 1 A 42 42 ASP HA H 42 4.270 4.385 -0.115 1
1 486 . 8 1 1 A 42 42 ASP C C 42 175.800 176.131 -0.331 1
1 487 . 8 1 1 A 42 42 ASP CA C 42 55.400 55.368 0.032 1
1 488 . 8 1 1 A 42 42 ASP CB C 42 39.700 39.508 0.192 1
1 489 . 8 1 1 A 42 42 ASP N N 42 127.200 125.519 1.681 1
1 490 . 8 1 1 A 43 43 GLY H H 43 8.390 8.522 -0.132 1
1 491 . 8 1 1 A 43 43 GLY HA2 H 43 3.420 3.803 -0.383 1
1 492 . 8 1 1 A 43 43 GLY HA3 H 43 4.100 3.804 0.296 1
1 493 . 8 1 1 A 43 43 GLY C C 43 173.400 173.401 -0.001 1
1 494 . 8 1 1 A 43 43 GLY CA C 43 45.200 45.523 -0.323 1
1 495 . 8 1 1 A 43 43 GLY N N 43 102.300 104.165 -1.865 1
1 496 . 8 1 1 A 44 44 ILE H H 44 7.760 8.298 -0.538 1
1 497 . 8 1 1 A 44 44 ILE HA H 44 4.610 4.717 -0.107 1
1 507 . 8 1 1 A 44 44 ILE CA C 44 57.300 57.424 -0.124 1
1 508 . 8 1 1 A 44 44 ILE CB C 44 39.500 41.896 -2.396 1
1 512 . 8 1 1 A 44 44 ILE N N 44 121.900 121.461 0.439 1
1 513 . 8 1 1 A 45 45 PRO HA H 45 4.570 4.965 -0.395 1
1 520 . 8 1 1 A 45 45 PRO C C 45 175.900 176.019 -0.119 1
1 521 . 8 1 1 A 45 45 PRO CA C 45 62.600 62.313 0.287 1
1 522 . 8 1 1 A 45 45 PRO CB C 45 32.400 32.368 0.032 1
1 525 . 8 1 1 A 46 46 VAL H H 46 8.790 8.792 -0.002 1
1 526 . 8 1 1 A 46 46 VAL HA H 46 4.050 4.203 -0.153 1
1 534 . 8 1 1 A 46 46 VAL C C 46 175.200 176.005 -0.805 1
1 535 . 8 1 1 A 46 46 VAL CA C 46 61.700 61.991 -0.291 1
1 536 . 8 1 1 A 46 46 VAL CB C 46 30.800 32.270 -1.470 1
1 539 . 8 1 1 A 46 46 VAL N N 46 127.200 120.941 6.259 1
1 540 . 8 1 1 A 47 47 LEU H H 47 8.100 8.883 -0.783 1
1 541 . 8 1 1 A 47 47 LEU HA H 47 4.210 4.544 -0.334 1
1 551 . 8 1 1 A 47 47 LEU C C 47 175.600 174.948 0.652 1
1 552 . 8 1 1 A 47 47 LEU CA C 47 52.700 53.986 -1.286 1
1 553 . 8 1 1 A 47 47 LEU CB C 47 39.400 41.785 -2.385 1
1 557 . 8 1 1 A 47 47 LEU N N 47 127.100 126.593 0.507 1
1 558 . 8 1 1 A 48 48 LEU H H 48 7.370 7.361 0.009 1
1 559 . 8 1 1 A 48 48 LEU HA H 48 4.830 4.649 0.181 1
1 569 . 8 1 1 A 48 48 LEU C C 48 177.900 177.121 0.779 1
1 570 . 8 1 1 A 48 48 LEU CA C 48 52.800 53.176 -0.376 1
1 571 . 8 1 1 A 48 48 LEU CB C 48 44.200 44.297 -0.097 1
1 575 . 8 1 1 A 48 48 LEU N N 48 121.200 121.345 -0.145 1
1 576 . 8 1 1 A 49 49 VAL H H 49 9.020 8.742 0.278 1
1 577 . 8 1 1 A 49 49 VAL HA H 49 3.790 3.709 0.081 1
1 585 . 8 1 1 A 49 49 VAL C C 49 178.100 177.318 0.782 1
1 586 . 8 1 1 A 49 49 VAL CA C 49 66.700 66.674 0.026 1
1 587 . 8 1 1 A 49 49 VAL CB C 49 31.900 31.877 0.023 1
1 590 . 8 1 1 A 49 49 VAL N N 49 124.600 122.260 2.340 1
1 591 . 8 1 1 A 50 50 ASP H H 50 8.750 8.921 -0.171 1
1 592 . 8 1 1 A 50 50 ASP HA H 50 4.490 4.293 0.197 1
1 595 . 8 1 1 A 50 50 ASP C C 50 176.900 177.599 -0.699 1
1 596 . 8 1 1 A 50 50 ASP CA C 50 56.200 56.814 -0.614 1
1 597 . 8 1 1 A 50 50 ASP CB C 50 40.400 39.851 0.549 1
1 598 . 8 1 1 A 50 50 ASP N N 50 117.300 119.583 -2.283 1
1 599 . 8 1 1 A 51 51 GLU H H 51 7.500 7.570 -0.070 1
1 600 . 8 1 1 A 51 51 GLU HA H 51 4.470 4.419 0.051 1
1 605 . 8 1 1 A 51 51 GLU C C 51 175.300 176.236 -0.936 1
1 606 . 8 1 1 A 51 51 GLU CA C 51 55.600 56.480 -0.880 1
1 607 . 8 1 1 A 51 51 GLU CB C 51 30.300 30.476 -0.176 1
1 609 . 8 1 1 A 51 51 GLU N N 51 116.100 116.448 -0.348 1
1 610 . 8 1 1 A 52 52 ALA H H 52 7.370 7.355 0.015 1
1 611 . 8 1 1 A 52 52 ALA HA H 52 4.360 4.208 0.152 1
1 615 . 8 1 1 A 52 52 ALA C C 52 177.100 177.277 -0.177 1
1 616 . 8 1 1 A 52 52 ALA CA C 52 51.900 52.863 -0.963 1
1 617 . 8 1 1 A 52 52 ALA CB C 52 20.900 19.039 1.861 1
1 618 . 8 1 1 A 52 52 ALA N N 52 122.000 123.644 -1.644 1
1 619 . 8 1 1 A 53 53 ARG H H 53 8.880 8.730 0.150 1
1 620 . 8 1 1 A 53 53 ARG HA H 53 4.560 4.605 -0.045 1
1 628 . 8 1 1 A 53 53 ARG C C 53 175.800 176.040 -0.240 1
1 629 . 8 1 1 A 53 53 ARG CA C 53 54.900 54.686 0.214 1
1 630 . 8 1 1 A 53 53 ARG CB C 53 32.500 32.484 0.016 1
1 633 . 8 1 1 A 53 53 ARG N N 53 121.500 121.952 -0.452 1
1 635 . 8 1 1 A 54 54 ARG H H 54 8.780 8.590 0.190 1
1 636 . 8 1 1 A 54 54 ARG HA H 54 4.560 4.755 -0.195 1
1 643 . 8 1 1 A 54 54 ARG CA C 54 54.000 53.724 0.276 1
1 644 . 8 1 1 A 54 54 ARG CB C 54 30.100 30.936 -0.836 1
1 647 . 8 1 1 A 54 54 ARG N N 54 127.200 120.781 6.419 1
1 648 . 8 1 1 A 55 55 PRO HA H 55 4.380 4.445 -0.065 1
1 655 . 8 1 1 A 55 55 PRO C C 55 176.000 175.220 0.780 1
1 656 . 8 1 1 A 55 55 PRO CA C 55 63.500 63.160 0.340 1
1 657 . 8 1 1 A 55 55 PRO CB C 55 32.000 32.405 -0.405 1
1 3 . 9 1 1 A 2 2 PRO HA H 2 4.460 4.504 -0.044 1
1 10 . 9 1 1 A 2 2 PRO C C 2 176.800 177.069 -0.269 1
1 11 . 9 1 1 A 2 2 PRO CA C 2 63.100 63.013 0.087 1
1 12 . 9 1 1 A 2 2 PRO CB C 2 32.100 31.777 0.323 1
1 15 . 9 1 1 A 3 3 LEU H H 3 8.520 8.330 0.190 1
1 16 . 9 1 1 A 3 3 LEU HA H 3 4.260 4.154 0.106 1
1 26 . 9 1 1 A 3 3 LEU C C 3 177.700 177.399 0.301 1
1 27 . 9 1 1 A 3 3 LEU CA C 3 55.400 54.690 0.710 1
1 28 . 9 1 1 A 3 3 LEU CB C 3 42.500 42.571 -0.071 1
1 32 . 9 1 1 A 3 3 LEU N N 3 122.400 123.812 -1.412 1
1 33 . 9 1 1 A 4 4 GLU H H 4 8.430 9.070 -0.640 1
1 34 . 9 1 1 A 4 4 GLU HA H 4 4.200 3.933 0.267 1
1 39 . 9 1 1 A 4 4 GLU C C 4 176.400 175.586 0.814 1
1 40 . 9 1 1 A 4 4 GLU CA C 4 56.600 57.254 -0.654 1
1 41 . 9 1 1 A 4 4 GLU CB C 4 30.200 28.270 1.930 1
1 43 . 9 1 1 A 4 4 GLU N N 4 122.100 123.530 -1.430 1
1 44 . 9 1 1 A 5 5 ALA H H 5 8.420 7.837 0.583 1
1 45 . 9 1 1 A 5 5 ALA HA H 5 4.210 4.210 0.000 1
1 49 . 9 1 1 A 5 5 ALA C C 5 178.700 177.052 1.648 1
1 50 . 9 1 1 A 5 5 ALA CA C 5 53.500 52.426 1.074 1
1 51 . 9 1 1 A 5 5 ALA CB C 5 19.000 19.525 -0.525 1
1 52 . 9 1 1 A 5 5 ALA N N 5 125.900 123.439 2.461 1
1 53 . 9 1 1 A 6 6 GLY H H 6 8.530 8.359 0.171 1
1 54 . 9 1 1 A 6 6 GLY HA2 H 6 3.910 4.060 -0.150 1
1 55 . 9 1 1 A 6 6 GLY HA3 H 6 3.950 4.061 -0.111 1
1 56 . 9 1 1 A 6 6 GLY C C 6 174.700 174.736 -0.036 1
1 57 . 9 1 1 A 6 6 GLY CA C 6 45.600 46.004 -0.404 1
1 58 . 9 1 1 A 6 6 GLY N N 6 108.100 109.860 -1.760 1
1 59 . 9 1 1 A 7 7 LEU H H 7 7.850 8.195 -0.345 1
1 60 . 9 1 1 A 7 7 LEU HA H 7 4.300 4.363 -0.063 1
1 70 . 9 1 1 A 7 7 LEU C C 7 177.700 176.751 0.949 1
1 71 . 9 1 1 A 7 7 LEU CA C 7 55.800 55.306 0.494 1
1 72 . 9 1 1 A 7 7 LEU CB C 7 42.500 41.647 0.853 1
1 76 . 9 1 1 A 7 7 LEU N N 7 121.300 121.560 -0.260 1
1 77 . 9 1 1 A 8 8 LEU H H 8 8.190 7.614 0.576 1
1 78 . 9 1 1 A 8 8 LEU HA H 8 4.160 4.328 -0.168 1
1 88 . 9 1 1 A 8 8 LEU C C 8 177.700 176.739 0.961 1
1 89 . 9 1 1 A 8 8 LEU CA C 8 56.100 54.120 1.980 1
1 90 . 9 1 1 A 8 8 LEU CB C 8 42.100 43.417 -1.317 1
1 94 . 9 1 1 A 8 8 LEU N N 8 120.600 122.583 -1.983 1
1 95 . 9 1 1 A 9 9 GLU H H 9 8.150 9.006 -0.856 1
1 96 . 9 1 1 A 9 9 GLU HA H 9 4.240 3.937 0.303 1
1 101 . 9 1 1 A 9 9 GLU C C 9 176.400 175.948 0.452 1
1 102 . 9 1 1 A 9 9 GLU CA C 9 57.000 57.310 -0.310 1
1 103 . 9 1 1 A 9 9 GLU CB C 9 30.200 28.245 1.955 1
1 105 . 9 1 1 A 9 9 GLU N N 9 118.800 125.321 -6.521 1
1 106 . 9 1 1 A 10 10 ILE H H 10 7.860 7.692 0.168 1
1 107 . 9 1 1 A 10 10 ILE HA H 10 4.280 4.869 -0.589 1
1 117 . 9 1 1 A 10 10 ILE C C 10 176.100 174.042 2.058 1
1 118 . 9 1 1 A 10 10 ILE CA C 10 60.800 59.886 0.914 1
1 119 . 9 1 1 A 10 10 ILE CB C 10 38.900 40.589 -1.689 1
1 123 . 9 1 1 A 10 10 ILE N N 10 118.600 121.566 -2.966 1
1 124 . 9 1 1 A 11 11 LEU H H 11 8.250 9.158 -0.908 1
1 125 . 9 1 1 A 11 11 LEU HA H 11 4.380 5.182 -0.802 1
1 135 . 9 1 1 A 11 11 LEU C C 11 175.200 175.609 -0.409 1
1 136 . 9 1 1 A 11 11 LEU CA C 11 54.400 53.418 0.982 1
1 137 . 9 1 1 A 11 11 LEU CB C 11 43.400 43.307 0.093 1
1 141 . 9 1 1 A 11 11 LEU N N 11 125.900 130.733 -4.833 1
1 142 . 9 1 1 A 12 12 ALA H H 12 7.920 8.717 -0.797 1
1 143 . 9 1 1 A 12 12 ALA HA H 12 4.620 4.878 -0.258 1
1 147 . 9 1 1 A 12 12 ALA C C 12 175.700 175.293 0.407 1
1 148 . 9 1 1 A 12 12 ALA CA C 12 50.100 51.390 -1.290 1
1 149 . 9 1 1 A 12 12 ALA CB C 12 22.000 23.156 -1.156 1
1 150 . 9 1 1 A 12 12 ALA N N 12 123.700 124.501 -0.801 1
1 151 . 9 1 1 A 13 13 CYS H H 13 9.310 8.362 0.948 1
1 152 . 9 1 1 A 13 13 CYS HA H 13 4.130 4.611 -0.481 1
1 155 . 9 1 1 A 13 13 CYS CA C 13 56.900 56.301 0.599 1
1 156 . 9 1 1 A 13 13 CYS CB C 13 31.600 29.236 2.364 1
1 157 . 9 1 1 A 13 13 CYS N N 13 124.400 119.434 4.966 1
1 158 . 9 1 1 A 14 14 PRO HA H 14 4.340 4.213 0.127 1
1 165 . 9 1 1 A 14 14 PRO C C 14 176.300 177.541 -1.241 1
1 166 . 9 1 1 A 14 14 PRO CA C 14 64.200 64.915 -0.715 1
1 167 . 9 1 1 A 14 14 PRO CB C 14 31.800 31.679 0.121 1
1 170 . 9 1 1 A 15 15 ALA H H 15 8.690 8.106 0.584 1
1 171 . 9 1 1 A 15 15 ALA HA H 15 4.340 4.300 0.040 1
1 175 . 9 1 1 A 15 15 ALA C C 15 178.300 177.355 0.945 1
1 176 . 9 1 1 A 15 15 ALA CA C 15 54.300 53.520 0.780 1
1 177 . 9 1 1 A 15 15 ALA CB C 15 20.100 19.715 0.385 1
1 178 . 9 1 1 A 15 15 ALA N N 15 123.400 117.787 5.613 1
1 179 . 9 1 1 A 16 16 CYS H H 16 8.290 7.989 0.301 1
1 180 . 9 1 1 A 16 16 CYS HA H 16 4.860 4.596 0.264 1
1 183 . 9 1 1 A 16 16 CYS C C 16 176.700 174.059 2.641 1
1 184 . 9 1 1 A 16 16 CYS CA C 16 58.800 57.228 1.572 1
1 185 . 9 1 1 A 16 16 CYS CB C 16 32.600 30.151 2.449 1
1 186 . 9 1 1 A 16 16 CYS N N 16 117.000 112.573 4.427 1
1 187 . 9 1 1 A 17 17 HIS H H 17 8.300 9.178 -0.878 1
1 188 . 9 1 1 A 17 17 HIS HA H 17 4.440 4.581 -0.141 1
1 193 . 9 1 1 A 17 17 HIS C C 17 173.000 175.451 -2.451 1
1 194 . 9 1 1 A 17 17 HIS CA C 17 57.700 57.279 0.421 1
1 195 . 9 1 1 A 17 17 HIS CB C 17 26.500 29.564 -3.064 1
1 198 . 9 1 1 A 17 17 HIS N N 17 117.800 119.584 -1.784 1
1 199 . 9 1 1 A 18 18 ALA H H 18 9.080 7.605 1.475 1
1 200 . 9 1 1 A 18 18 ALA HA H 18 4.640 4.299 0.341 1
1 204 . 9 1 1 A 18 18 ALA CA C 18 52.100 50.765 1.335 1
1 205 . 9 1 1 A 18 18 ALA CB C 18 19.000 19.406 -0.406 1
1 206 . 9 1 1 A 18 18 ALA N N 18 127.600 123.557 4.043 1
1 207 . 9 1 1 A 19 19 PRO HA H 19 4.540 4.541 -0.001 1
1 214 . 9 1 1 A 19 19 PRO C C 19 177.000 175.482 1.518 1
1 215 . 9 1 1 A 19 19 PRO CA C 19 63.300 62.694 0.606 1
1 216 . 9 1 1 A 19 19 PRO CB C 19 32.500 32.350 0.150 1
1 219 . 9 1 1 A 20 20 LEU H H 20 8.450 8.463 -0.013 1
1 220 . 9 1 1 A 20 20 LEU HA H 20 5.050 5.075 -0.025 1
1 230 . 9 1 1 A 20 20 LEU C C 20 176.700 175.088 1.612 1
1 231 . 9 1 1 A 20 20 LEU CA C 20 53.300 53.245 0.055 1
1 232 . 9 1 1 A 20 20 LEU CB C 20 44.800 44.599 0.201 1
1 236 . 9 1 1 A 20 20 LEU N N 20 121.400 121.823 -0.423 1
1 237 . 9 1 1 A 21 21 GLU H H 21 9.030 9.417 -0.387 1
1 238 . 9 1 1 A 21 21 GLU HA H 21 4.660 4.986 -0.326 1
1 243 . 9 1 1 A 21 21 GLU C C 21 175.100 175.658 -0.558 1
1 244 . 9 1 1 A 21 21 GLU CA C 21 54.100 54.408 -0.308 1
1 245 . 9 1 1 A 21 21 GLU CB C 21 33.000 32.629 0.371 1
1 247 . 9 1 1 A 21 21 GLU N N 21 120.700 124.111 -3.411 1
1 248 . 9 1 1 A 22 22 GLU H H 22 8.950 8.923 0.027 1
1 249 . 9 1 1 A 22 22 GLU HA H 22 4.630 4.625 0.005 1
1 254 . 9 1 1 A 22 22 GLU C C 22 176.000 175.278 0.722 1
1 255 . 9 1 1 A 22 22 GLU CA C 22 56.800 56.514 0.286 1
1 256 . 9 1 1 A 22 22 GLU CB C 22 30.200 30.461 -0.261 1
1 258 . 9 1 1 A 22 22 GLU N N 22 125.900 128.689 -2.789 1
1 259 . 9 1 1 A 23 23 ARG H H 23 8.830 9.179 -0.349 1
1 260 . 9 1 1 A 23 23 ARG HA H 23 4.500 4.708 -0.208 1
1 267 . 9 1 1 A 23 23 ARG C C 23 175.000 175.565 -0.565 1
1 268 . 9 1 1 A 23 23 ARG CA C 23 55.600 55.112 0.488 1
1 269 . 9 1 1 A 23 23 ARG CB C 23 32.100 32.366 -0.266 1
1 272 . 9 1 1 A 23 23 ARG N N 23 128.000 127.556 0.444 1
1 273 . 9 1 1 A 24 24 ASP H H 24 9.150 9.142 0.008 1
1 274 . 9 1 1 A 24 24 ASP HA H 24 4.180 4.466 -0.286 1
1 277 . 9 1 1 A 24 24 ASP C C 24 174.900 175.735 -0.835 1
1 278 . 9 1 1 A 24 24 ASP CA C 24 56.600 56.509 0.091 1
1 279 . 9 1 1 A 24 24 ASP CB C 24 39.600 40.145 -0.545 1
1 280 . 9 1 1 A 24 24 ASP N N 24 126.000 127.548 -1.548 1
1 281 . 9 1 1 A 25 25 ALA H H 25 8.480 8.399 0.081 1
1 282 . 9 1 1 A 25 25 ALA HA H 25 4.370 4.525 -0.155 1
1 286 . 9 1 1 A 25 25 ALA C C 25 175.700 176.123 -0.423 1
1 287 . 9 1 1 A 25 25 ALA CA C 25 52.600 51.378 1.222 1
1 288 . 9 1 1 A 25 25 ALA CB C 25 18.100 19.315 -1.215 1
1 289 . 9 1 1 A 25 25 ALA N N 25 122.800 128.715 -5.915 1
1 290 . 9 1 1 A 26 26 GLU H H 26 7.770 8.279 -0.509 1
1 291 . 9 1 1 A 26 26 GLU HA H 26 5.100 4.888 0.212 1
1 296 . 9 1 1 A 26 26 GLU C C 26 174.600 174.746 -0.146 1
1 297 . 9 1 1 A 26 26 GLU CA C 26 54.700 54.946 -0.246 1
1 298 . 9 1 1 A 26 26 GLU CB C 26 35.100 34.932 0.168 1
1 300 . 9 1 1 A 26 26 GLU N N 26 116.600 116.206 0.394 1
1 301 . 9 1 1 A 27 27 LEU H H 27 9.190 9.382 -0.192 1
1 302 . 9 1 1 A 27 27 LEU HA H 27 5.010 5.275 -0.265 1
1 312 . 9 1 1 A 27 27 LEU C C 27 175.500 175.452 0.048 1
1 313 . 9 1 1 A 27 27 LEU CA C 27 53.200 53.439 -0.239 1
1 314 . 9 1 1 A 27 27 LEU CB C 27 44.400 43.790 0.610 1
1 318 . 9 1 1 A 27 27 LEU N N 27 120.900 121.968 -1.068 1
1 319 . 9 1 1 A 28 28 ILE H H 28 9.480 9.701 -0.221 1
1 320 . 9 1 1 A 28 28 ILE HA H 28 4.770 4.609 0.161 1
1 330 . 9 1 1 A 28 28 ILE C C 28 175.300 175.435 -0.135 1
1 331 . 9 1 1 A 28 28 ILE CA C 28 60.000 59.915 0.085 1
1 332 . 9 1 1 A 28 28 ILE CB C 28 39.700 40.011 -0.311 1
1 336 . 9 1 1 A 28 28 ILE N N 28 123.300 124.611 -1.311 1
1 337 . 9 1 1 A 29 29 CYS H H 29 9.160 9.240 -0.080 1
1 338 . 9 1 1 A 29 29 CYS HA H 29 4.250 4.593 -0.343 1
1 341 . 9 1 1 A 29 29 CYS C C 29 176.700 176.996 -0.296 1
1 342 . 9 1 1 A 29 29 CYS CA C 29 62.000 59.826 2.174 1
1 343 . 9 1 1 A 29 29 CYS CB C 29 30.400 28.205 2.195 1
1 344 . 9 1 1 A 29 29 CYS N N 29 130.800 127.425 3.375 1
1 345 . 9 1 1 A 30 30 THR H H 30 7.840 9.218 -1.378 1
1 346 . 9 1 1 A 30 30 THR HA H 30 4.280 4.281 -0.001 1
1 351 . 9 1 1 A 30 30 THR C C 30 175.300 175.490 -0.190 1
1 352 . 9 1 1 A 30 30 THR CA C 30 62.400 63.075 -0.675 1
1 353 . 9 1 1 A 30 30 THR CB C 30 70.500 68.993 1.507 1
1 355 . 9 1 1 A 30 30 THR N N 30 118.800 118.667 0.133 1
1 356 . 9 1 1 A 31 31 GLY H H 31 10.310 7.845 2.465 1
1 357 . 9 1 1 A 31 31 GLY HA2 H 31 3.710 4.010 -0.300 1
1 358 . 9 1 1 A 31 31 GLY HA3 H 31 3.960 4.012 -0.052 1
1 359 . 9 1 1 A 31 31 GLY C C 31 175.900 175.026 0.874 1
1 360 . 9 1 1 A 31 31 GLY CA C 31 45.300 45.598 -0.298 1
1 361 . 9 1 1 A 31 31 GLY N N 31 120.100 110.865 9.235 1
1 362 . 9 1 1 A 32 32 GLN H H 32 8.940 8.733 0.207 1
1 363 . 9 1 1 A 32 32 GLN HA H 32 3.990 3.880 0.110 1
1 370 . 9 1 1 A 32 32 GLN C C 32 176.400 177.277 -0.877 1
1 371 . 9 1 1 A 32 32 GLN CA C 32 58.200 58.990 -0.790 1
1 372 . 9 1 1 A 32 32 GLN CB C 32 28.800 28.729 0.071 1
1 375 . 9 1 1 A 32 32 GLN N N 32 127.200 122.310 4.890 1
1 377 . 9 1 1 A 33 33 ASP H H 33 8.560 8.051 0.509 1
1 378 . 9 1 1 A 33 33 ASP HA H 33 4.610 4.438 0.172 1
1 381 . 9 1 1 A 33 33 ASP C C 33 174.500 177.599 -3.099 1
1 382 . 9 1 1 A 33 33 ASP CA C 33 54.000 55.730 -1.730 1
1 383 . 9 1 1 A 33 33 ASP CB C 33 40.400 40.830 -0.430 1
1 384 . 9 1 1 A 33 33 ASP N N 33 117.200 117.678 -0.478 1
1 385 . 9 1 1 A 34 34 CYS H H 34 7.330 7.669 -0.339 1
1 386 . 9 1 1 A 34 34 CYS HA H 34 4.480 4.393 0.087 1
1 389 . 9 1 1 A 34 34 CYS C C 34 175.500 175.209 0.291 1
1 390 . 9 1 1 A 34 34 CYS CA C 34 60.100 61.256 -1.156 1
1 391 . 9 1 1 A 34 34 CYS CB C 34 31.200 28.709 2.491 1
1 392 . 9 1 1 A 34 34 CYS N N 34 123.800 116.873 6.927 1
1 393 . 9 1 1 A 35 35 GLY H H 35 8.020 8.141 -0.121 1
1 394 . 9 1 1 A 35 35 GLY HA2 H 35 3.940 3.868 0.072 1
1 395 . 9 1 1 A 35 35 GLY HA3 H 35 4.240 3.871 0.369 1
1 396 . 9 1 1 A 35 35 GLY C C 35 173.900 175.034 -1.134 1
1 397 . 9 1 1 A 35 35 GLY CA C 35 46.900 46.562 0.338 1
1 398 . 9 1 1 A 35 35 GLY N N 35 108.700 108.574 0.126 1
1 399 . 9 1 1 A 36 36 LEU H H 36 7.430 8.067 -0.637 1
1 400 . 9 1 1 A 36 36 LEU HA H 36 3.930 4.215 -0.285 1
1 410 . 9 1 1 A 36 36 LEU C C 36 173.800 175.880 -2.080 1
1 411 . 9 1 1 A 36 36 LEU CA C 36 56.400 54.655 1.745 1
1 412 . 9 1 1 A 36 36 LEU CB C 36 43.300 42.166 1.134 1
1 416 . 9 1 1 A 36 36 LEU N N 36 121.100 122.354 -1.254 1
1 417 . 9 1 1 A 37 37 ALA H H 37 7.990 8.585 -0.595 1
1 418 . 9 1 1 A 37 37 ALA HA H 37 5.240 5.215 0.025 1
1 422 . 9 1 1 A 37 37 ALA C C 37 176.700 174.534 2.166 1
1 423 . 9 1 1 A 37 37 ALA CA C 37 49.800 50.228 -0.428 1
1 424 . 9 1 1 A 37 37 ALA CB C 37 22.200 21.895 0.305 1
1 425 . 9 1 1 A 37 37 ALA N N 37 119.900 122.935 -3.035 1
1 426 . 9 1 1 A 38 38 TYR H H 38 9.740 9.405 0.335 1
1 427 . 9 1 1 A 38 38 TYR HA H 38 4.730 5.021 -0.291 1
1 434 . 9 1 1 A 38 38 TYR CA C 38 55.900 55.692 0.208 1
1 435 . 9 1 1 A 38 38 TYR CB C 38 38.800 40.272 -1.472 1
1 440 . 9 1 1 A 38 38 TYR N N 38 125.300 121.188 4.112 1
1 441 . 9 1 1 A 39 39 PRO HA H 39 4.700 4.727 -0.027 1
1 448 . 9 1 1 A 39 39 PRO C C 39 175.100 175.553 -0.453 1
1 449 . 9 1 1 A 39 39 PRO CA C 39 63.100 62.369 0.731 1
1 450 . 9 1 1 A 39 39 PRO CB C 39 32.900 32.497 0.403 1
1 453 . 9 1 1 A 40 40 VAL H H 40 7.830 8.434 -0.604 1
1 454 . 9 1 1 A 40 40 VAL HA H 40 4.190 4.642 -0.452 1
1 462 . 9 1 1 A 40 40 VAL C C 40 176.300 174.464 1.836 1
1 463 . 9 1 1 A 40 40 VAL CA C 40 62.100 60.707 1.393 1
1 464 . 9 1 1 A 40 40 VAL CB C 40 32.300 34.027 -1.727 1
1 467 . 9 1 1 A 40 40 VAL N N 40 119.300 119.701 -0.401 1
1 468 . 9 1 1 A 41 41 ARG H H 41 8.410 9.286 -0.876 1
1 469 . 9 1 1 A 41 41 ARG HA H 41 4.680 4.718 -0.038 1
1 476 . 9 1 1 A 41 41 ARG C C 41 175.900 176.414 -0.514 1
1 477 . 9 1 1 A 41 41 ARG CA C 41 55.100 54.557 0.543 1
1 478 . 9 1 1 A 41 41 ARG CB C 41 32.200 30.334 1.866 1
1 481 . 9 1 1 A 41 41 ARG N N 41 127.400 126.478 0.922 1
1 482 . 9 1 1 A 42 42 ASP H H 42 9.440 9.325 0.115 1
1 483 . 9 1 1 A 42 42 ASP HA H 42 4.270 4.264 0.006 1
1 486 . 9 1 1 A 42 42 ASP C C 42 175.800 175.165 0.635 1
1 487 . 9 1 1 A 42 42 ASP CA C 42 55.400 55.065 0.335 1
1 488 . 9 1 1 A 42 42 ASP CB C 42 39.700 40.008 -0.308 1
1 489 . 9 1 1 A 42 42 ASP N N 42 127.200 124.783 2.417 1
1 490 . 9 1 1 A 43 43 GLY H H 43 8.390 8.557 -0.167 1
1 491 . 9 1 1 A 43 43 GLY HA2 H 43 3.420 3.818 -0.398 1
1 492 . 9 1 1 A 43 43 GLY HA3 H 43 4.100 3.820 0.280 1
1 493 . 9 1 1 A 43 43 GLY C C 43 173.400 173.770 -0.370 1
1 494 . 9 1 1 A 43 43 GLY CA C 43 45.200 45.473 -0.273 1
1 495 . 9 1 1 A 43 43 GLY N N 43 102.300 104.591 -2.291 1
1 496 . 9 1 1 A 44 44 ILE H H 44 7.760 8.150 -0.390 1
1 497 . 9 1 1 A 44 44 ILE HA H 44 4.610 4.340 0.270 1
1 507 . 9 1 1 A 44 44 ILE CA C 44 57.300 57.999 -0.699 1
1 508 . 9 1 1 A 44 44 ILE CB C 44 39.500 38.970 0.530 1
1 512 . 9 1 1 A 44 44 ILE N N 44 121.900 122.250 -0.350 1
1 513 . 9 1 1 A 45 45 PRO HA H 45 4.570 4.424 0.146 1
1 520 . 9 1 1 A 45 45 PRO C C 45 175.900 175.886 0.014 1
1 521 . 9 1 1 A 45 45 PRO CA C 45 62.600 62.985 -0.385 1
1 522 . 9 1 1 A 45 45 PRO CB C 45 32.400 32.199 0.201 1
1 525 . 9 1 1 A 46 46 VAL H H 46 8.790 8.548 0.242 1
1 526 . 9 1 1 A 46 46 VAL HA H 46 4.050 4.313 -0.263 1
1 534 . 9 1 1 A 46 46 VAL C C 46 175.200 175.771 -0.571 1
1 535 . 9 1 1 A 46 46 VAL CA C 46 61.700 61.485 0.215 1
1 536 . 9 1 1 A 46 46 VAL CB C 46 30.800 32.912 -2.112 1
1 539 . 9 1 1 A 46 46 VAL N N 46 127.200 122.691 4.509 1
1 540 . 9 1 1 A 47 47 LEU H H 47 8.100 8.933 -0.833 1
1 541 . 9 1 1 A 47 47 LEU HA H 47 4.210 4.406 -0.196 1
1 551 . 9 1 1 A 47 47 LEU C C 47 175.600 174.934 0.666 1
1 552 . 9 1 1 A 47 47 LEU CA C 47 52.700 53.833 -1.133 1
1 553 . 9 1 1 A 47 47 LEU CB C 47 39.400 41.740 -2.340 1
1 557 . 9 1 1 A 47 47 LEU N N 47 127.100 127.093 0.007 1
1 558 . 9 1 1 A 48 48 LEU H H 48 7.370 7.329 0.041 1
1 559 . 9 1 1 A 48 48 LEU HA H 48 4.830 4.597 0.233 1
1 569 . 9 1 1 A 48 48 LEU C C 48 177.900 177.051 0.849 1
1 570 . 9 1 1 A 48 48 LEU CA C 48 52.800 53.136 -0.336 1
1 571 . 9 1 1 A 48 48 LEU CB C 48 44.200 43.931 0.269 1
1 575 . 9 1 1 A 48 48 LEU N N 48 121.200 121.799 -0.599 1
1 576 . 9 1 1 A 49 49 VAL H H 49 9.020 8.553 0.467 1
1 577 . 9 1 1 A 49 49 VAL HA H 49 3.790 3.760 0.030 1
1 585 . 9 1 1 A 49 49 VAL C C 49 178.100 177.363 0.737 1
1 586 . 9 1 1 A 49 49 VAL CA C 49 66.700 66.472 0.228 1
1 587 . 9 1 1 A 49 49 VAL CB C 49 31.900 31.873 0.027 1
1 590 . 9 1 1 A 49 49 VAL N N 49 124.600 122.610 1.990 1
1 591 . 9 1 1 A 50 50 ASP H H 50 8.750 8.385 0.365 1
1 592 . 9 1 1 A 50 50 ASP HA H 50 4.490 4.349 0.141 1
1 595 . 9 1 1 A 50 50 ASP C C 50 176.900 177.777 -0.877 1
1 596 . 9 1 1 A 50 50 ASP CA C 50 56.200 57.677 -1.477 1
1 597 . 9 1 1 A 50 50 ASP CB C 50 40.400 42.012 -1.612 1
1 598 . 9 1 1 A 50 50 ASP N N 50 117.300 120.276 -2.976 1
1 599 . 9 1 1 A 51 51 GLU H H 51 7.500 7.636 -0.136 1
1 600 . 9 1 1 A 51 51 GLU HA H 51 4.470 4.417 0.053 1
1 605 . 9 1 1 A 51 51 GLU C C 51 175.300 176.300 -1.000 1
1 606 . 9 1 1 A 51 51 GLU CA C 51 55.600 56.336 -0.736 1
1 607 . 9 1 1 A 51 51 GLU CB C 51 30.300 30.429 -0.129 1
1 609 . 9 1 1 A 51 51 GLU N N 51 116.100 116.501 -0.401 1
1 610 . 9 1 1 A 52 52 ALA H H 52 7.370 7.343 0.027 1
1 611 . 9 1 1 A 52 52 ALA HA H 52 4.360 4.335 0.025 1
1 615 . 9 1 1 A 52 52 ALA C C 52 177.100 177.321 -0.221 1
1 616 . 9 1 1 A 52 52 ALA CA C 52 51.900 53.072 -1.172 1
1 617 . 9 1 1 A 52 52 ALA CB C 52 20.900 19.353 1.547 1
1 618 . 9 1 1 A 52 52 ALA N N 52 122.000 123.656 -1.656 1
1 619 . 9 1 1 A 53 53 ARG H H 53 8.880 8.889 -0.009 1
1 620 . 9 1 1 A 53 53 ARG HA H 53 4.560 4.688 -0.128 1
1 628 . 9 1 1 A 53 53 ARG C C 53 175.800 176.000 -0.200 1
1 629 . 9 1 1 A 53 53 ARG CA C 53 54.900 54.739 0.161 1
1 630 . 9 1 1 A 53 53 ARG CB C 53 32.500 32.853 -0.353 1
1 633 . 9 1 1 A 53 53 ARG N N 53 121.500 122.175 -0.675 1
1 635 . 9 1 1 A 54 54 ARG H H 54 8.780 8.640 0.140 1
1 636 . 9 1 1 A 54 54 ARG HA H 54 4.560 4.747 -0.187 1
1 643 . 9 1 1 A 54 54 ARG CA C 54 54.000 53.965 0.035 1
1 644 . 9 1 1 A 54 54 ARG CB C 54 30.100 30.922 -0.822 1
1 647 . 9 1 1 A 54 54 ARG N N 54 127.200 122.290 4.910 1
1 648 . 9 1 1 A 55 55 PRO HA H 55 4.380 4.268 0.112 1
1 655 . 9 1 1 A 55 55 PRO C C 55 176.000 176.872 -0.872 1
1 656 . 9 1 1 A 55 55 PRO CA C 55 63.500 63.767 -0.267 1
1 657 . 9 1 1 A 55 55 PRO CB C 55 32.000 31.881 0.119 1
1 3 . 10 1 1 A 2 2 PRO HA H 2 4.460 4.538 -0.078 1
1 10 . 10 1 1 A 2 2 PRO C C 2 176.800 176.825 -0.025 1
1 11 . 10 1 1 A 2 2 PRO CA C 2 63.100 62.828 0.272 1
1 12 . 10 1 1 A 2 2 PRO CB C 2 32.100 32.084 0.016 1
1 15 . 10 1 1 A 3 3 LEU H H 3 8.520 8.273 0.247 1
1 16 . 10 1 1 A 3 3 LEU HA H 3 4.260 4.555 -0.295 1
1 26 . 10 1 1 A 3 3 LEU C C 3 177.700 177.626 0.074 1
1 27 . 10 1 1 A 3 3 LEU CA C 3 55.400 53.282 2.118 1
1 28 . 10 1 1 A 3 3 LEU CB C 3 42.500 43.700 -1.200 1
1 32 . 10 1 1 A 3 3 LEU N N 3 122.400 119.008 3.392 1
1 33 . 10 1 1 A 4 4 GLU H H 4 8.430 8.829 -0.399 1
1 34 . 10 1 1 A 4 4 GLU HA H 4 4.200 4.383 -0.183 1
1 39 . 10 1 1 A 4 4 GLU C C 4 176.400 176.803 -0.403 1
1 40 . 10 1 1 A 4 4 GLU CA C 4 56.600 56.507 0.093 1
1 41 . 10 1 1 A 4 4 GLU CB C 4 30.200 28.787 1.413 1
1 43 . 10 1 1 A 4 4 GLU N N 4 122.100 117.492 4.608 1
1 44 . 10 1 1 A 5 5 ALA H H 5 8.420 7.440 0.980 1
1 45 . 10 1 1 A 5 5 ALA HA H 5 4.210 4.101 0.109 1
1 49 . 10 1 1 A 5 5 ALA C C 5 178.700 177.280 1.420 1
1 50 . 10 1 1 A 5 5 ALA CA C 5 53.500 53.292 0.208 1
1 51 . 10 1 1 A 5 5 ALA CB C 5 19.000 19.425 -0.425 1
1 52 . 10 1 1 A 5 5 ALA N N 5 125.900 123.927 1.973 1
1 53 . 10 1 1 A 6 6 GLY H H 6 8.530 8.426 0.104 1
1 54 . 10 1 1 A 6 6 GLY HA2 H 6 3.910 4.185 -0.275 1
1 55 . 10 1 1 A 6 6 GLY HA3 H 6 3.950 4.186 -0.236 1
1 56 . 10 1 1 A 6 6 GLY C C 6 174.700 173.162 1.538 1
1 57 . 10 1 1 A 6 6 GLY CA C 6 45.600 45.781 -0.181 1
1 58 . 10 1 1 A 6 6 GLY N N 6 108.100 108.700 -0.600 1
1 59 . 10 1 1 A 7 7 LEU H H 7 7.850 8.824 -0.974 1
1 60 . 10 1 1 A 7 7 LEU HA H 7 4.300 4.205 0.095 1
1 70 . 10 1 1 A 7 7 LEU C C 7 177.700 176.757 0.943 1
1 71 . 10 1 1 A 7 7 LEU CA C 7 55.800 56.565 -0.765 1
1 72 . 10 1 1 A 7 7 LEU CB C 7 42.500 39.770 2.730 1
1 76 . 10 1 1 A 7 7 LEU N N 7 121.300 124.794 -3.494 1
1 77 . 10 1 1 A 8 8 LEU H H 8 8.190 7.801 0.389 1
1 78 . 10 1 1 A 8 8 LEU HA H 8 4.160 4.018 0.142 1
1 88 . 10 1 1 A 8 8 LEU C C 8 177.700 178.093 -0.393 1
1 89 . 10 1 1 A 8 8 LEU CA C 8 56.100 58.339 -2.239 1
1 90 . 10 1 1 A 8 8 LEU CB C 8 42.100 41.931 0.169 1
1 94 . 10 1 1 A 8 8 LEU N N 8 120.600 120.491 0.109 1
1 95 . 10 1 1 A 9 9 GLU H H 9 8.150 7.953 0.197 1
1 96 . 10 1 1 A 9 9 GLU HA H 9 4.240 4.624 -0.384 1
1 101 . 10 1 1 A 9 9 GLU C C 9 176.400 176.068 0.332 1
1 102 . 10 1 1 A 9 9 GLU CA C 9 57.000 57.776 -0.776 1
1 103 . 10 1 1 A 9 9 GLU CB C 9 30.200 32.160 -1.960 1
1 105 . 10 1 1 A 9 9 GLU N N 9 118.800 117.367 1.433 1
1 106 . 10 1 1 A 10 10 ILE H H 10 7.860 8.025 -0.165 1
1 107 . 10 1 1 A 10 10 ILE HA H 10 4.280 4.021 0.259 1
1 117 . 10 1 1 A 10 10 ILE C C 10 176.100 175.435 0.665 1
1 118 . 10 1 1 A 10 10 ILE CA C 10 60.800 61.600 -0.800 1
1 119 . 10 1 1 A 10 10 ILE CB C 10 38.900 37.896 1.004 1
1 123 . 10 1 1 A 10 10 ILE N N 10 118.600 120.325 -1.725 1
1 124 . 10 1 1 A 11 11 LEU H H 11 8.250 8.755 -0.505 1
1 125 . 10 1 1 A 11 11 LEU HA H 11 4.380 4.470 -0.090 1
1 135 . 10 1 1 A 11 11 LEU C C 11 175.200 176.018 -0.818 1
1 136 . 10 1 1 A 11 11 LEU CA C 11 54.400 54.596 -0.196 1
1 137 . 10 1 1 A 11 11 LEU CB C 11 43.400 42.595 0.805 1
1 141 . 10 1 1 A 11 11 LEU N N 11 125.900 129.058 -3.158 1
1 142 . 10 1 1 A 12 12 ALA H H 12 7.920 8.346 -0.426 1
1 143 . 10 1 1 A 12 12 ALA HA H 12 4.620 5.386 -0.766 1
1 147 . 10 1 1 A 12 12 ALA C C 12 175.700 176.187 -0.487 1
1 148 . 10 1 1 A 12 12 ALA CA C 12 50.100 50.518 -0.418 1
1 149 . 10 1 1 A 12 12 ALA CB C 12 22.000 23.041 -1.041 1
1 150 . 10 1 1 A 12 12 ALA N N 12 123.700 121.594 2.106 1
1 151 . 10 1 1 A 13 13 CYS H H 13 9.310 8.434 0.876 1
1 152 . 10 1 1 A 13 13 CYS HA H 13 4.130 4.460 -0.330 1
1 155 . 10 1 1 A 13 13 CYS CA C 13 56.900 57.879 -0.979 1
1 156 . 10 1 1 A 13 13 CYS CB C 13 31.600 27.771 3.829 1
1 157 . 10 1 1 A 13 13 CYS N N 13 124.400 120.237 4.163 1
1 158 . 10 1 1 A 14 14 PRO HA H 14 4.340 4.208 0.132 1
1 165 . 10 1 1 A 14 14 PRO C C 14 176.300 178.718 -2.418 1
1 166 . 10 1 1 A 14 14 PRO CA C 14 64.200 65.747 -1.547 1
1 167 . 10 1 1 A 14 14 PRO CB C 14 31.800 31.282 0.518 1
1 170 . 10 1 1 A 15 15 ALA H H 15 8.690 8.021 0.669 1
1 171 . 10 1 1 A 15 15 ALA HA H 15 4.340 3.947 0.393 1
1 175 . 10 1 1 A 15 15 ALA C C 15 178.300 178.237 0.063 1
1 176 . 10 1 1 A 15 15 ALA CA C 15 54.300 55.075 -0.775 1
1 177 . 10 1 1 A 15 15 ALA CB C 15 20.100 18.169 1.931 1
1 178 . 10 1 1 A 15 15 ALA N N 15 123.400 118.552 4.848 1
1 179 . 10 1 1 A 16 16 CYS H H 16 8.290 7.838 0.452 1
1 180 . 10 1 1 A 16 16 CYS HA H 16 4.860 4.555 0.305 1
1 183 . 10 1 1 A 16 16 CYS C C 16 176.700 174.878 1.822 1
1 184 . 10 1 1 A 16 16 CYS CA C 16 58.800 58.357 0.443 1
1 185 . 10 1 1 A 16 16 CYS CB C 16 32.600 27.069 5.531 1
1 186 . 10 1 1 A 16 16 CYS N N 16 117.000 113.008 3.992 1
1 187 . 10 1 1 A 17 17 HIS H H 17 8.300 7.390 0.910 1
1 188 . 10 1 1 A 17 17 HIS HA H 17 4.440 4.535 -0.095 1
1 193 . 10 1 1 A 17 17 HIS C C 17 173.000 175.305 -2.305 1
1 194 . 10 1 1 A 17 17 HIS CA C 17 57.700 57.651 0.049 1
1 195 . 10 1 1 A 17 17 HIS CB C 17 26.500 30.111 -3.611 1
1 198 . 10 1 1 A 17 17 HIS N N 17 117.800 122.379 -4.579 1
1 199 . 10 1 1 A 18 18 ALA H H 18 9.080 8.488 0.592 1
1 200 . 10 1 1 A 18 18 ALA HA H 18 4.640 4.665 -0.025 1
1 204 . 10 1 1 A 18 18 ALA CA C 18 52.100 50.820 1.280 1
1 205 . 10 1 1 A 18 18 ALA CB C 18 19.000 22.244 -3.244 1
1 206 . 10 1 1 A 18 18 ALA N N 18 127.600 125.391 2.209 1
1 207 . 10 1 1 A 19 19 PRO HA H 19 4.540 4.631 -0.091 1
1 214 . 10 1 1 A 19 19 PRO C C 19 177.000 175.959 1.041 1
1 215 . 10 1 1 A 19 19 PRO CA C 19 63.300 62.863 0.437 1
1 216 . 10 1 1 A 19 19 PRO CB C 19 32.500 32.518 -0.018 1
1 219 . 10 1 1 A 20 20 LEU H H 20 8.450 8.504 -0.054 1
1 220 . 10 1 1 A 20 20 LEU HA H 20 5.050 5.236 -0.186 1
1 230 . 10 1 1 A 20 20 LEU C C 20 176.700 175.728 0.972 1
1 231 . 10 1 1 A 20 20 LEU CA C 20 53.300 53.127 0.173 1
1 232 . 10 1 1 A 20 20 LEU CB C 20 44.800 45.867 -1.067 1
1 236 . 10 1 1 A 20 20 LEU N N 20 121.400 121.702 -0.302 1
1 237 . 10 1 1 A 21 21 GLU H H 21 9.030 9.412 -0.382 1
1 238 . 10 1 1 A 21 21 GLU HA H 21 4.660 4.977 -0.317 1
1 243 . 10 1 1 A 21 21 GLU C C 21 175.100 174.982 0.118 1
1 244 . 10 1 1 A 21 21 GLU CA C 21 54.100 54.389 -0.289 1
1 245 . 10 1 1 A 21 21 GLU CB C 21 33.000 33.317 -0.317 1
1 247 . 10 1 1 A 21 21 GLU N N 21 120.700 120.976 -0.276 1
1 248 . 10 1 1 A 22 22 GLU H H 22 8.950 8.952 -0.002 1
1 249 . 10 1 1 A 22 22 GLU HA H 22 4.630 4.796 -0.166 1
1 254 . 10 1 1 A 22 22 GLU C C 22 176.000 175.423 0.577 1
1 255 . 10 1 1 A 22 22 GLU CA C 22 56.800 56.251 0.549 1
1 256 . 10 1 1 A 22 22 GLU CB C 22 30.200 30.663 -0.463 1
1 258 . 10 1 1 A 22 22 GLU N N 22 125.900 124.779 1.121 1
1 259 . 10 1 1 A 23 23 ARG H H 23 8.830 9.274 -0.444 1
1 260 . 10 1 1 A 23 23 ARG HA H 23 4.500 4.525 -0.025 1
1 267 . 10 1 1 A 23 23 ARG C C 23 175.000 175.013 -0.013 1
1 268 . 10 1 1 A 23 23 ARG CA C 23 55.600 55.828 -0.228 1
1 269 . 10 1 1 A 23 23 ARG CB C 23 32.100 33.090 -0.990 1
1 272 . 10 1 1 A 23 23 ARG N N 23 128.000 126.605 1.395 1
1 273 . 10 1 1 A 24 24 ASP H H 24 9.150 9.514 -0.364 1
1 274 . 10 1 1 A 24 24 ASP HA H 24 4.180 4.311 -0.131 1
1 277 . 10 1 1 A 24 24 ASP C C 24 174.900 175.003 -0.103 1
1 278 . 10 1 1 A 24 24 ASP CA C 24 56.600 55.148 1.452 1
1 279 . 10 1 1 A 24 24 ASP CB C 24 39.600 39.792 -0.192 1
1 280 . 10 1 1 A 24 24 ASP N N 24 126.000 125.310 0.690 1
1 281 . 10 1 1 A 25 25 ALA H H 25 8.480 8.345 0.135 1
1 282 . 10 1 1 A 25 25 ALA HA H 25 4.370 3.922 0.448 1
1 286 . 10 1 1 A 25 25 ALA C C 25 175.700 175.902 -0.202 1
1 287 . 10 1 1 A 25 25 ALA CA C 25 52.600 53.817 -1.217 1
1 288 . 10 1 1 A 25 25 ALA CB C 25 18.100 18.186 -0.086 1
1 289 . 10 1 1 A 25 25 ALA N N 25 122.800 115.870 6.930 1
1 290 . 10 1 1 A 26 26 GLU H H 26 7.770 8.025 -0.255 1
1 291 . 10 1 1 A 26 26 GLU HA H 26 5.100 4.855 0.245 1
1 296 . 10 1 1 A 26 26 GLU C C 26 174.600 174.873 -0.273 1
1 297 . 10 1 1 A 26 26 GLU CA C 26 54.700 54.724 -0.024 1
1 298 . 10 1 1 A 26 26 GLU CB C 26 35.100 32.646 2.454 1
1 300 . 10 1 1 A 26 26 GLU N N 26 116.600 112.756 3.844 1
1 301 . 10 1 1 A 27 27 LEU H H 27 9.190 9.557 -0.367 1
1 302 . 10 1 1 A 27 27 LEU HA H 27 5.010 5.283 -0.273 1
1 312 . 10 1 1 A 27 27 LEU C C 27 175.500 175.450 0.050 1
1 313 . 10 1 1 A 27 27 LEU CA C 27 53.200 53.471 -0.271 1
1 314 . 10 1 1 A 27 27 LEU CB C 27 44.400 42.978 1.422 1
1 318 . 10 1 1 A 27 27 LEU N N 27 120.900 123.016 -2.116 1
1 319 . 10 1 1 A 28 28 ILE H H 28 9.480 9.621 -0.141 1
1 320 . 10 1 1 A 28 28 ILE HA H 28 4.770 4.636 0.134 1
1 330 . 10 1 1 A 28 28 ILE C C 28 175.300 175.661 -0.361 1
1 331 . 10 1 1 A 28 28 ILE CA C 28 60.000 60.471 -0.471 1
1 332 . 10 1 1 A 28 28 ILE CB C 28 39.700 39.377 0.323 1
1 336 . 10 1 1 A 28 28 ILE N N 28 123.300 125.251 -1.951 1
1 337 . 10 1 1 A 29 29 CYS H H 29 9.160 9.168 -0.008 1
1 338 . 10 1 1 A 29 29 CYS HA H 29 4.250 4.743 -0.493 1
1 341 . 10 1 1 A 29 29 CYS C C 29 176.700 174.342 2.358 1
1 342 . 10 1 1 A 29 29 CYS CA C 29 62.000 59.261 2.739 1
1 343 . 10 1 1 A 29 29 CYS CB C 29 30.400 27.898 2.502 1
1 344 . 10 1 1 A 29 29 CYS N N 29 130.800 126.529 4.271 1
1 345 . 10 1 1 A 30 30 THR H H 30 7.840 8.995 -1.155 1
1 346 . 10 1 1 A 30 30 THR HA H 30 4.280 4.988 -0.708 1
1 351 . 10 1 1 A 30 30 THR C C 30 175.300 173.272 2.028 1
1 352 . 10 1 1 A 30 30 THR CA C 30 62.400 60.544 1.856 1
1 353 . 10 1 1 A 30 30 THR CB C 30 70.500 70.967 -0.467 1
1 355 . 10 1 1 A 30 30 THR N N 30 118.800 117.671 1.129 1
1 356 . 10 1 1 A 31 31 GLY H H 31 10.310 8.363 1.947 1
1 357 . 10 1 1 A 31 31 GLY HA2 H 31 3.710 4.226 -0.516 1
1 358 . 10 1 1 A 31 31 GLY HA3 H 31 3.960 4.230 -0.270 1
1 359 . 10 1 1 A 31 31 GLY C C 31 175.900 174.092 1.808 1
1 360 . 10 1 1 A 31 31 GLY CA C 31 45.300 45.955 -0.655 1
1 361 . 10 1 1 A 31 31 GLY N N 31 120.100 115.220 4.880 1
1 362 . 10 1 1 A 32 32 GLN H H 32 8.940 8.741 0.199 1
1 363 . 10 1 1 A 32 32 GLN HA H 32 3.990 3.997 -0.007 1
1 370 . 10 1 1 A 32 32 GLN C C 32 176.400 176.678 -0.278 1
1 371 . 10 1 1 A 32 32 GLN CA C 32 58.200 59.065 -0.865 1
1 372 . 10 1 1 A 32 32 GLN CB C 32 28.800 28.652 0.148 1
1 375 . 10 1 1 A 32 32 GLN N N 32 127.200 118.456 8.744 1
1 377 . 10 1 1 A 33 33 ASP H H 33 8.560 8.206 0.354 1
1 378 . 10 1 1 A 33 33 ASP HA H 33 4.610 4.680 -0.070 1
1 381 . 10 1 1 A 33 33 ASP C C 33 174.500 175.935 -1.435 1
1 382 . 10 1 1 A 33 33 ASP CA C 33 54.000 53.254 0.746 1
1 383 . 10 1 1 A 33 33 ASP CB C 33 40.400 40.714 -0.314 1
1 384 . 10 1 1 A 33 33 ASP N N 33 117.200 114.620 2.580 1
1 385 . 10 1 1 A 34 34 CYS H H 34 7.330 7.712 -0.382 1
1 386 . 10 1 1 A 34 34 CYS HA H 34 4.480 4.544 -0.064 1
1 389 . 10 1 1 A 34 34 CYS C C 34 175.500 175.197 0.303 1
1 390 . 10 1 1 A 34 34 CYS CA C 34 60.100 59.622 0.478 1
1 391 . 10 1 1 A 34 34 CYS CB C 34 31.200 29.425 1.775 1
1 392 . 10 1 1 A 34 34 CYS N N 34 123.800 120.287 3.513 1
1 393 . 10 1 1 A 35 35 GLY H H 35 8.020 8.311 -0.291 1
1 394 . 10 1 1 A 35 35 GLY HA2 H 35 3.940 4.007 -0.067 1
1 395 . 10 1 1 A 35 35 GLY HA3 H 35 4.240 4.014 0.226 1
1 396 . 10 1 1 A 35 35 GLY C C 35 173.900 175.053 -1.153 1
1 397 . 10 1 1 A 35 35 GLY CA C 35 46.900 45.448 1.452 1
1 398 . 10 1 1 A 35 35 GLY N N 35 108.700 112.599 -3.899 1
1 399 . 10 1 1 A 36 36 LEU H H 36 7.430 7.910 -0.480 1
1 400 . 10 1 1 A 36 36 LEU HA H 36 3.930 4.280 -0.350 1
1 410 . 10 1 1 A 36 36 LEU C C 36 173.800 175.800 -2.000 1
1 411 . 10 1 1 A 36 36 LEU CA C 36 56.400 55.081 1.319 1
1 412 . 10 1 1 A 36 36 LEU CB C 36 43.300 42.325 0.975 1
1 416 . 10 1 1 A 36 36 LEU N N 36 121.100 122.735 -1.635 1
1 417 . 10 1 1 A 37 37 ALA H H 37 7.990 8.656 -0.666 1
1 418 . 10 1 1 A 37 37 ALA HA H 37 5.240 5.231 0.009 1
1 422 . 10 1 1 A 37 37 ALA C C 37 176.700 174.881 1.819 1
1 423 . 10 1 1 A 37 37 ALA CA C 37 49.800 50.778 -0.978 1
1 424 . 10 1 1 A 37 37 ALA CB C 37 22.200 22.869 -0.669 1
1 425 . 10 1 1 A 37 37 ALA N N 37 119.900 120.237 -0.337 1
1 426 . 10 1 1 A 38 38 TYR H H 38 9.740 9.504 0.236 1
1 427 . 10 1 1 A 38 38 TYR HA H 38 4.730 4.959 -0.229 1
1 434 . 10 1 1 A 38 38 TYR CA C 38 55.900 55.312 0.588 1
1 435 . 10 1 1 A 38 38 TYR CB C 38 38.800 40.502 -1.702 1
1 440 . 10 1 1 A 38 38 TYR N N 38 125.300 120.327 4.973 1
1 441 . 10 1 1 A 39 39 PRO HA H 39 4.700 4.695 0.005 1
1 448 . 10 1 1 A 39 39 PRO C C 39 175.100 175.394 -0.294 1
1 449 . 10 1 1 A 39 39 PRO CA C 39 63.100 62.361 0.739 1
1 450 . 10 1 1 A 39 39 PRO CB C 39 32.900 32.613 0.287 1
1 453 . 10 1 1 A 40 40 VAL H H 40 7.830 8.438 -0.608 1
1 454 . 10 1 1 A 40 40 VAL HA H 40 4.190 4.609 -0.419 1
1 462 . 10 1 1 A 40 40 VAL C C 40 176.300 174.396 1.904 1
1 463 . 10 1 1 A 40 40 VAL CA C 40 62.100 60.832 1.268 1
1 464 . 10 1 1 A 40 40 VAL CB C 40 32.300 33.809 -1.509 1
1 467 . 10 1 1 A 40 40 VAL N N 40 119.300 119.372 -0.072 1
1 468 . 10 1 1 A 41 41 ARG H H 41 8.410 9.313 -0.903 1
1 469 . 10 1 1 A 41 41 ARG HA H 41 4.680 4.678 0.002 1
1 476 . 10 1 1 A 41 41 ARG C C 41 175.900 175.064 0.836 1
1 477 . 10 1 1 A 41 41 ARG CA C 41 55.100 54.600 0.500 1
1 478 . 10 1 1 A 41 41 ARG CB C 41 32.200 31.839 0.361 1
1 481 . 10 1 1 A 41 41 ARG N N 41 127.400 128.094 -0.694 1
1 482 . 10 1 1 A 42 42 ASP H H 42 9.440 9.513 -0.073 1
1 483 . 10 1 1 A 42 42 ASP HA H 42 4.270 4.403 -0.133 1
1 486 . 10 1 1 A 42 42 ASP C C 42 175.800 176.258 -0.458 1
1 487 . 10 1 1 A 42 42 ASP CA C 42 55.400 55.348 0.052 1
1 488 . 10 1 1 A 42 42 ASP CB C 42 39.700 39.672 0.028 1
1 489 . 10 1 1 A 42 42 ASP N N 42 127.200 127.770 -0.570 1
1 490 . 10 1 1 A 43 43 GLY H H 43 8.390 8.537 -0.147 1
1 491 . 10 1 1 A 43 43 GLY HA2 H 43 3.420 3.804 -0.384 1
1 492 . 10 1 1 A 43 43 GLY HA3 H 43 4.100 3.806 0.294 1
1 493 . 10 1 1 A 43 43 GLY C C 43 173.400 173.719 -0.319 1
1 494 . 10 1 1 A 43 43 GLY CA C 43 45.200 45.451 -0.251 1
1 495 . 10 1 1 A 43 43 GLY N N 43 102.300 104.633 -2.333 1
1 496 . 10 1 1 A 44 44 ILE H H 44 7.760 8.224 -0.464 1
1 497 . 10 1 1 A 44 44 ILE HA H 44 4.610 4.335 0.275 1
1 507 . 10 1 1 A 44 44 ILE CA C 44 57.300 58.017 -0.717 1
1 508 . 10 1 1 A 44 44 ILE CB C 44 39.500 38.834 0.666 1
1 512 . 10 1 1 A 44 44 ILE N N 44 121.900 122.488 -0.588 1
1 513 . 10 1 1 A 45 45 PRO HA H 45 4.570 4.434 0.136 1
1 520 . 10 1 1 A 45 45 PRO C C 45 175.900 176.368 -0.468 1
1 521 . 10 1 1 A 45 45 PRO CA C 45 62.600 63.053 -0.453 1
1 522 . 10 1 1 A 45 45 PRO CB C 45 32.400 32.214 0.186 1
1 525 . 10 1 1 A 46 46 VAL H H 46 8.790 8.522 0.268 1
1 526 . 10 1 1 A 46 46 VAL HA H 46 4.050 4.348 -0.298 1
1 534 . 10 1 1 A 46 46 VAL C C 46 175.200 175.577 -0.377 1
1 535 . 10 1 1 A 46 46 VAL CA C 46 61.700 61.742 -0.042 1
1 536 . 10 1 1 A 46 46 VAL CB C 46 30.800 32.773 -1.973 1
1 539 . 10 1 1 A 46 46 VAL N N 46 127.200 122.248 4.952 1
1 540 . 10 1 1 A 47 47 LEU H H 47 8.100 8.874 -0.774 1
1 541 . 10 1 1 A 47 47 LEU HA H 47 4.210 4.465 -0.255 1
1 551 . 10 1 1 A 47 47 LEU C C 47 175.600 175.337 0.263 1
1 552 . 10 1 1 A 47 47 LEU CA C 47 52.700 53.744 -1.044 1
1 553 . 10 1 1 A 47 47 LEU CB C 47 39.400 42.283 -2.883 1
1 557 . 10 1 1 A 47 47 LEU N N 47 127.100 126.939 0.161 1
1 558 . 10 1 1 A 48 48 LEU H H 48 7.370 7.437 -0.067 1
1 559 . 10 1 1 A 48 48 LEU HA H 48 4.830 4.649 0.181 1
1 569 . 10 1 1 A 48 48 LEU C C 48 177.900 177.199 0.701 1
1 570 . 10 1 1 A 48 48 LEU CA C 48 52.800 53.337 -0.537 1
1 571 . 10 1 1 A 48 48 LEU CB C 48 44.200 43.712 0.488 1
1 575 . 10 1 1 A 48 48 LEU N N 48 121.200 121.578 -0.378 1
1 576 . 10 1 1 A 49 49 VAL H H 49 9.020 8.645 0.375 1
1 577 . 10 1 1 A 49 49 VAL HA H 49 3.790 3.722 0.068 1
1 585 . 10 1 1 A 49 49 VAL C C 49 178.100 177.108 0.992 1
1 586 . 10 1 1 A 49 49 VAL CA C 49 66.700 66.682 0.018 1
1 587 . 10 1 1 A 49 49 VAL CB C 49 31.900 31.904 -0.004 1
1 590 . 10 1 1 A 49 49 VAL N N 49 124.600 122.121 2.479 1
1 591 . 10 1 1 A 50 50 ASP H H 50 8.750 8.170 0.580 1
1 592 . 10 1 1 A 50 50 ASP HA H 50 4.490 4.386 0.104 1
1 595 . 10 1 1 A 50 50 ASP C C 50 176.900 177.603 -0.703 1
1 596 . 10 1 1 A 50 50 ASP CA C 50 56.200 57.591 -1.391 1
1 597 . 10 1 1 A 50 50 ASP CB C 50 40.400 40.226 0.174 1
1 598 . 10 1 1 A 50 50 ASP N N 50 117.300 119.645 -2.345 1
1 599 . 10 1 1 A 51 51 GLU H H 51 7.500 7.909 -0.409 1
1 600 . 10 1 1 A 51 51 GLU HA H 51 4.470 4.276 0.194 1
1 605 . 10 1 1 A 51 51 GLU C C 51 175.300 176.788 -1.488 1
1 606 . 10 1 1 A 51 51 GLU CA C 51 55.600 57.476 -1.876 1
1 607 . 10 1 1 A 51 51 GLU CB C 51 30.300 29.451 0.849 1
1 609 . 10 1 1 A 51 51 GLU N N 51 116.100 117.745 -1.645 1
1 610 . 10 1 1 A 52 52 ALA H H 52 7.370 7.201 0.169 1
1 611 . 10 1 1 A 52 52 ALA HA H 52 4.360 3.789 0.571 1
1 615 . 10 1 1 A 52 52 ALA C C 52 177.100 177.305 -0.205 1
1 616 . 10 1 1 A 52 52 ALA CA C 52 51.900 52.749 -0.849 1
1 617 . 10 1 1 A 52 52 ALA CB C 52 20.900 18.846 2.054 1
1 618 . 10 1 1 A 52 52 ALA N N 52 122.000 122.011 -0.011 1
1 619 . 10 1 1 A 53 53 ARG H H 53 8.880 8.764 0.116 1
1 620 . 10 1 1 A 53 53 ARG HA H 53 4.560 4.729 -0.169 1
1 628 . 10 1 1 A 53 53 ARG C C 53 175.800 175.378 0.422 1
1 629 . 10 1 1 A 53 53 ARG CA C 53 54.900 54.145 0.755 1
1 630 . 10 1 1 A 53 53 ARG CB C 53 32.500 32.875 -0.375 1
1 633 . 10 1 1 A 53 53 ARG N N 53 121.500 121.544 -0.044 1
1 635 . 10 1 1 A 54 54 ARG H H 54 8.780 8.151 0.629 1
1 636 . 10 1 1 A 54 54 ARG HA H 54 4.560 4.632 -0.072 1
1 643 . 10 1 1 A 54 54 ARG CA C 54 54.000 54.001 -0.001 1
1 644 . 10 1 1 A 54 54 ARG CB C 54 30.100 30.045 0.055 1
1 647 . 10 1 1 A 54 54 ARG N N 54 127.200 120.277 6.923 1
1 648 . 10 1 1 A 55 55 PRO HA H 55 4.380 4.481 -0.101 1
1 655 . 10 1 1 A 55 55 PRO C C 55 176.000 177.620 -1.620 1
1 656 . 10 1 1 A 55 55 PRO CA C 55 63.500 62.957 0.543 1
1 657 . 10 1 1 A 55 55 PRO CB C 55 32.000 32.288 -0.288 1
1 3 . 11 1 1 A 2 2 PRO HA H 2 4.460 4.526 -0.066 1
1 10 . 11 1 1 A 2 2 PRO C C 2 176.800 175.803 0.997 1
1 11 . 11 1 1 A 2 2 PRO CA C 2 63.100 62.788 0.312 1
1 12 . 11 1 1 A 2 2 PRO CB C 2 32.100 32.386 -0.286 1
1 15 . 11 1 1 A 3 3 LEU H H 3 8.520 8.406 0.114 1
1 16 . 11 1 1 A 3 3 LEU HA H 3 4.260 4.639 -0.379 1
1 26 . 11 1 1 A 3 3 LEU C C 3 177.700 177.128 0.572 1
1 27 . 11 1 1 A 3 3 LEU CA C 3 55.400 53.884 1.516 1
1 28 . 11 1 1 A 3 3 LEU CB C 3 42.500 42.715 -0.215 1
1 32 . 11 1 1 A 3 3 LEU N N 3 122.400 122.847 -0.447 1
1 33 . 11 1 1 A 4 4 GLU H H 4 8.430 9.093 -0.663 1
1 34 . 11 1 1 A 4 4 GLU HA H 4 4.200 3.981 0.219 1
1 39 . 11 1 1 A 4 4 GLU C C 4 176.400 175.488 0.912 1
1 40 . 11 1 1 A 4 4 GLU CA C 4 56.600 57.150 -0.550 1
1 41 . 11 1 1 A 4 4 GLU CB C 4 30.200 28.395 1.805 1
1 43 . 11 1 1 A 4 4 GLU N N 4 122.100 123.683 -1.583 1
1 44 . 11 1 1 A 5 5 ALA H H 5 8.420 8.304 0.116 1
1 45 . 11 1 1 A 5 5 ALA HA H 5 4.210 4.340 -0.130 1
1 49 . 11 1 1 A 5 5 ALA C C 5 178.700 177.538 1.162 1
1 50 . 11 1 1 A 5 5 ALA CA C 5 53.500 52.839 0.661 1
1 51 . 11 1 1 A 5 5 ALA CB C 5 19.000 19.141 -0.141 1
1 52 . 11 1 1 A 5 5 ALA N N 5 125.900 128.957 -3.057 1
1 53 . 11 1 1 A 6 6 GLY H H 6 8.530 8.284 0.246 1
1 54 . 11 1 1 A 6 6 GLY HA2 H 6 3.910 4.202 -0.292 1
1 55 . 11 1 1 A 6 6 GLY HA3 H 6 3.950 4.202 -0.252 1
1 56 . 11 1 1 A 6 6 GLY C C 6 174.700 174.113 0.587 1
1 57 . 11 1 1 A 6 6 GLY CA C 6 45.600 45.892 -0.292 1
1 58 . 11 1 1 A 6 6 GLY N N 6 108.100 108.422 -0.322 1
1 59 . 11 1 1 A 7 7 LEU H H 7 7.850 8.280 -0.430 1
1 60 . 11 1 1 A 7 7 LEU HA H 7 4.300 4.348 -0.048 1
1 70 . 11 1 1 A 7 7 LEU C C 7 177.700 176.396 1.304 1
1 71 . 11 1 1 A 7 7 LEU CA C 7 55.800 55.339 0.461 1
1 72 . 11 1 1 A 7 7 LEU CB C 7 42.500 41.903 0.597 1
1 76 . 11 1 1 A 7 7 LEU N N 7 121.300 118.639 2.661 1
1 77 . 11 1 1 A 8 8 LEU H H 8 8.190 7.855 0.335 1
1 78 . 11 1 1 A 8 8 LEU HA H 8 4.160 3.966 0.194 1
1 88 . 11 1 1 A 8 8 LEU C C 8 177.700 175.506 2.194 1
1 89 . 11 1 1 A 8 8 LEU CA C 8 56.100 55.430 0.670 1
1 90 . 11 1 1 A 8 8 LEU CB C 8 42.100 40.832 1.268 1
1 94 . 11 1 1 A 8 8 LEU N N 8 120.600 117.640 2.960 1
1 95 . 11 1 1 A 9 9 GLU H H 9 8.150 8.298 -0.148 1
1 96 . 11 1 1 A 9 9 GLU HA H 9 4.240 4.422 -0.182 1
1 101 . 11 1 1 A 9 9 GLU C C 9 176.400 176.036 0.364 1
1 102 . 11 1 1 A 9 9 GLU CA C 9 57.000 56.626 0.374 1
1 103 . 11 1 1 A 9 9 GLU CB C 9 30.200 30.326 -0.126 1
1 105 . 11 1 1 A 9 9 GLU N N 9 118.800 123.556 -4.756 1
1 106 . 11 1 1 A 10 10 ILE H H 10 7.860 8.347 -0.487 1
1 107 . 11 1 1 A 10 10 ILE HA H 10 4.280 4.306 -0.026 1
1 117 . 11 1 1 A 10 10 ILE C C 10 176.100 175.875 0.225 1
1 118 . 11 1 1 A 10 10 ILE CA C 10 60.800 60.538 0.262 1
1 119 . 11 1 1 A 10 10 ILE CB C 10 38.900 39.061 -0.161 1
1 123 . 11 1 1 A 10 10 ILE N N 10 118.600 121.481 -2.881 1
1 124 . 11 1 1 A 11 11 LEU H H 11 8.250 8.377 -0.127 1
1 125 . 11 1 1 A 11 11 LEU HA H 11 4.380 4.369 0.011 1
1 135 . 11 1 1 A 11 11 LEU C C 11 175.200 176.286 -1.086 1
1 136 . 11 1 1 A 11 11 LEU CA C 11 54.400 54.994 -0.594 1
1 137 . 11 1 1 A 11 11 LEU CB C 11 43.400 42.522 0.878 1
1 141 . 11 1 1 A 11 11 LEU N N 11 125.900 124.738 1.162 1
1 142 . 11 1 1 A 12 12 ALA H H 12 7.920 8.455 -0.535 1
1 143 . 11 1 1 A 12 12 ALA HA H 12 4.620 5.437 -0.817 1
1 147 . 11 1 1 A 12 12 ALA C C 12 175.700 176.491 -0.791 1
1 148 . 11 1 1 A 12 12 ALA CA C 12 50.100 50.459 -0.359 1
1 149 . 11 1 1 A 12 12 ALA CB C 12 22.000 22.513 -0.513 1
1 150 . 11 1 1 A 12 12 ALA N N 12 123.700 123.015 0.685 1
1 151 . 11 1 1 A 13 13 CYS H H 13 9.310 8.534 0.776 1
1 152 . 11 1 1 A 13 13 CYS HA H 13 4.130 4.591 -0.461 1
1 155 . 11 1 1 A 13 13 CYS CA C 13 56.900 57.769 -0.869 1
1 156 . 11 1 1 A 13 13 CYS CB C 13 31.600 27.344 4.256 1
1 157 . 11 1 1 A 13 13 CYS N N 13 124.400 122.557 1.843 1
1 158 . 11 1 1 A 14 14 PRO HA H 14 4.340 4.359 -0.019 1
1 165 . 11 1 1 A 14 14 PRO C C 14 176.300 179.102 -2.802 1
1 166 . 11 1 1 A 14 14 PRO CA C 14 64.200 66.072 -1.872 1
1 167 . 11 1 1 A 14 14 PRO CB C 14 31.800 31.291 0.509 1
1 170 . 11 1 1 A 15 15 ALA H H 15 8.690 8.472 0.218 1
1 171 . 11 1 1 A 15 15 ALA HA H 15 4.340 4.109 0.231 1
1 175 . 11 1 1 A 15 15 ALA C C 15 178.300 177.782 0.518 1
1 176 . 11 1 1 A 15 15 ALA CA C 15 54.300 55.228 -0.928 1
1 177 . 11 1 1 A 15 15 ALA CB C 15 20.100 18.602 1.498 1
1 178 . 11 1 1 A 15 15 ALA N N 15 123.400 118.828 4.572 1
1 179 . 11 1 1 A 16 16 CYS H H 16 8.290 7.888 0.402 1
1 180 . 11 1 1 A 16 16 CYS HA H 16 4.860 4.909 -0.049 1
1 183 . 11 1 1 A 16 16 CYS C C 16 176.700 173.641 3.059 1
1 184 . 11 1 1 A 16 16 CYS CA C 16 58.800 56.862 1.938 1
1 185 . 11 1 1 A 16 16 CYS CB C 16 32.600 30.902 1.698 1
1 186 . 11 1 1 A 16 16 CYS N N 16 117.000 114.937 2.063 1
1 187 . 11 1 1 A 17 17 HIS H H 17 8.300 8.681 -0.381 1
1 188 . 11 1 1 A 17 17 HIS HA H 17 4.440 5.681 -1.241 1
1 193 . 11 1 1 A 17 17 HIS C C 17 173.000 174.137 -1.137 1
1 194 . 11 1 1 A 17 17 HIS CA C 17 57.700 53.808 3.892 1
1 195 . 11 1 1 A 17 17 HIS CB C 17 26.500 31.353 -4.853 1
1 198 . 11 1 1 A 17 17 HIS N N 17 117.800 117.441 0.359 1
1 199 . 11 1 1 A 18 18 ALA H H 18 9.080 8.564 0.516 1
1 200 . 11 1 1 A 18 18 ALA HA H 18 4.640 4.672 -0.032 1
1 204 . 11 1 1 A 18 18 ALA CA C 18 52.100 50.752 1.348 1
1 205 . 11 1 1 A 18 18 ALA CB C 18 19.000 22.155 -3.155 1
1 206 . 11 1 1 A 18 18 ALA N N 18 127.600 123.206 4.394 1
1 207 . 11 1 1 A 19 19 PRO HA H 19 4.540 4.667 -0.127 1
1 214 . 11 1 1 A 19 19 PRO C C 19 177.000 175.524 1.476 1
1 215 . 11 1 1 A 19 19 PRO CA C 19 63.300 62.557 0.743 1
1 216 . 11 1 1 A 19 19 PRO CB C 19 32.500 32.721 -0.221 1
1 219 . 11 1 1 A 20 20 LEU H H 20 8.450 8.461 -0.011 1
1 220 . 11 1 1 A 20 20 LEU HA H 20 5.050 5.019 0.031 1
1 230 . 11 1 1 A 20 20 LEU C C 20 176.700 175.052 1.648 1
1 231 . 11 1 1 A 20 20 LEU CA C 20 53.300 53.180 0.120 1
1 232 . 11 1 1 A 20 20 LEU CB C 20 44.800 44.578 0.222 1
1 236 . 11 1 1 A 20 20 LEU N N 20 121.400 121.619 -0.219 1
1 237 . 11 1 1 A 21 21 GLU H H 21 9.030 9.327 -0.297 1
1 238 . 11 1 1 A 21 21 GLU HA H 21 4.660 5.003 -0.343 1
1 243 . 11 1 1 A 21 21 GLU C C 21 175.100 175.611 -0.511 1
1 244 . 11 1 1 A 21 21 GLU CA C 21 54.100 54.368 -0.268 1
1 245 . 11 1 1 A 21 21 GLU CB C 21 33.000 32.645 0.355 1
1 247 . 11 1 1 A 21 21 GLU N N 21 120.700 124.064 -3.364 1
1 248 . 11 1 1 A 22 22 GLU H H 22 8.950 8.754 0.196 1
1 249 . 11 1 1 A 22 22 GLU HA H 22 4.630 4.628 0.002 1
1 254 . 11 1 1 A 22 22 GLU C C 22 176.000 175.827 0.173 1
1 255 . 11 1 1 A 22 22 GLU CA C 22 56.800 56.876 -0.076 1
1 256 . 11 1 1 A 22 22 GLU CB C 22 30.200 30.210 -0.010 1
1 258 . 11 1 1 A 22 22 GLU N N 22 125.900 126.566 -0.666 1
1 259 . 11 1 1 A 23 23 ARG H H 23 8.830 8.823 0.007 1
1 260 . 11 1 1 A 23 23 ARG HA H 23 4.500 4.800 -0.300 1
1 267 . 11 1 1 A 23 23 ARG C C 23 175.000 174.175 0.825 1
1 268 . 11 1 1 A 23 23 ARG CA C 23 55.600 54.157 1.443 1
1 269 . 11 1 1 A 23 23 ARG CB C 23 32.100 34.120 -2.020 1
1 272 . 11 1 1 A 23 23 ARG N N 23 128.000 123.028 4.972 1
1 273 . 11 1 1 A 24 24 ASP H H 24 9.150 8.668 0.482 1
1 274 . 11 1 1 A 24 24 ASP HA H 24 4.180 4.295 -0.115 1
1 277 . 11 1 1 A 24 24 ASP C C 24 174.900 176.806 -1.906 1
1 278 . 11 1 1 A 24 24 ASP CA C 24 56.600 55.308 1.292 1
1 279 . 11 1 1 A 24 24 ASP CB C 24 39.600 41.196 -1.596 1
1 280 . 11 1 1 A 24 24 ASP N N 24 126.000 124.413 1.587 1
1 281 . 11 1 1 A 25 25 ALA H H 25 8.480 8.772 -0.292 1
1 282 . 11 1 1 A 25 25 ALA HA H 25 4.370 3.869 0.501 1
1 286 . 11 1 1 A 25 25 ALA C C 25 175.700 175.940 -0.240 1
1 287 . 11 1 1 A 25 25 ALA CA C 25 52.600 53.281 -0.681 1
1 288 . 11 1 1 A 25 25 ALA CB C 25 18.100 17.694 0.406 1
1 289 . 11 1 1 A 25 25 ALA N N 25 122.800 124.531 -1.731 1
1 290 . 11 1 1 A 26 26 GLU H H 26 7.770 8.195 -0.425 1
1 291 . 11 1 1 A 26 26 GLU HA H 26 5.100 4.781 0.319 1
1 296 . 11 1 1 A 26 26 GLU C C 26 174.600 174.281 0.319 1
1 297 . 11 1 1 A 26 26 GLU CA C 26 54.700 55.816 -1.116 1
1 298 . 11 1 1 A 26 26 GLU CB C 26 35.100 32.941 2.159 1
1 300 . 11 1 1 A 26 26 GLU N N 26 116.600 115.601 0.999 1
1 301 . 11 1 1 A 27 27 LEU H H 27 9.190 9.221 -0.031 1
1 302 . 11 1 1 A 27 27 LEU HA H 27 5.010 5.204 -0.194 1
1 312 . 11 1 1 A 27 27 LEU C C 27 175.500 175.496 0.004 1
1 313 . 11 1 1 A 27 27 LEU CA C 27 53.200 53.410 -0.210 1
1 314 . 11 1 1 A 27 27 LEU CB C 27 44.400 45.169 -0.769 1
1 318 . 11 1 1 A 27 27 LEU N N 27 120.900 124.903 -4.003 1
1 319 . 11 1 1 A 28 28 ILE H H 28 9.480 9.582 -0.102 1
1 320 . 11 1 1 A 28 28 ILE HA H 28 4.770 4.788 -0.018 1
1 330 . 11 1 1 A 28 28 ILE C C 28 175.300 175.137 0.163 1
1 331 . 11 1 1 A 28 28 ILE CA C 28 60.000 60.004 -0.004 1
1 332 . 11 1 1 A 28 28 ILE CB C 28 39.700 39.268 0.432 1
1 336 . 11 1 1 A 28 28 ILE N N 28 123.300 124.879 -1.579 1
1 337 . 11 1 1 A 29 29 CYS H H 29 9.160 9.383 -0.223 1
1 338 . 11 1 1 A 29 29 CYS HA H 29 4.250 4.599 -0.349 1
1 341 . 11 1 1 A 29 29 CYS C C 29 176.700 174.904 1.796 1
1 342 . 11 1 1 A 29 29 CYS CA C 29 62.000 59.497 2.503 1
1 343 . 11 1 1 A 29 29 CYS CB C 29 30.400 28.328 2.072 1
1 344 . 11 1 1 A 29 29 CYS N N 29 130.800 127.667 3.133 1
1 345 . 11 1 1 A 30 30 THR H H 30 7.840 8.871 -1.031 1
1 346 . 11 1 1 A 30 30 THR HA H 30 4.280 4.517 -0.237 1
1 351 . 11 1 1 A 30 30 THR C C 30 175.300 174.769 0.531 1
1 352 . 11 1 1 A 30 30 THR CA C 30 62.400 62.799 -0.399 1
1 353 . 11 1 1 A 30 30 THR CB C 30 70.500 69.901 0.599 1
1 355 . 11 1 1 A 30 30 THR N N 30 118.800 121.986 -3.186 1
1 356 . 11 1 1 A 31 31 GLY H H 31 10.310 8.546 1.764 1
1 357 . 11 1 1 A 31 31 GLY HA2 H 31 3.710 4.117 -0.407 1
1 358 . 11 1 1 A 31 31 GLY HA3 H 31 3.960 4.138 -0.178 1
1 359 . 11 1 1 A 31 31 GLY C C 31 175.900 175.115 0.785 1
1 360 . 11 1 1 A 31 31 GLY CA C 31 45.300 44.632 0.668 1
1 361 . 11 1 1 A 31 31 GLY N N 31 120.100 111.408 8.692 1
1 362 . 11 1 1 A 32 32 GLN H H 32 8.940 8.794 0.146 1
1 363 . 11 1 1 A 32 32 GLN HA H 32 3.990 4.003 -0.013 1
1 370 . 11 1 1 A 32 32 GLN C C 32 176.400 177.197 -0.797 1
1 371 . 11 1 1 A 32 32 GLN CA C 32 58.200 58.653 -0.453 1
1 372 . 11 1 1 A 32 32 GLN CB C 32 28.800 28.881 -0.081 1
1 375 . 11 1 1 A 32 32 GLN N N 32 127.200 120.443 6.757 1
1 377 . 11 1 1 A 33 33 ASP H H 33 8.560 8.068 0.492 1
1 378 . 11 1 1 A 33 33 ASP HA H 33 4.610 4.520 0.090 1
1 381 . 11 1 1 A 33 33 ASP C C 33 174.500 176.071 -1.571 1
1 382 . 11 1 1 A 33 33 ASP CA C 33 54.000 55.776 -1.776 1
1 383 . 11 1 1 A 33 33 ASP CB C 33 40.400 40.342 0.058 1
1 384 . 11 1 1 A 33 33 ASP N N 33 117.200 118.993 -1.793 1
1 385 . 11 1 1 A 34 34 CYS H H 34 7.330 7.595 -0.265 1
1 386 . 11 1 1 A 34 34 CYS HA H 34 4.480 4.664 -0.184 1
1 389 . 11 1 1 A 34 34 CYS C C 34 175.500 175.407 0.093 1
1 390 . 11 1 1 A 34 34 CYS CA C 34 60.100 58.823 1.277 1
1 391 . 11 1 1 A 34 34 CYS CB C 34 31.200 28.274 2.926 1
1 392 . 11 1 1 A 34 34 CYS N N 34 123.800 117.659 6.141 1
1 393 . 11 1 1 A 35 35 GLY H H 35 8.020 7.813 0.207 1
1 394 . 11 1 1 A 35 35 GLY HA2 H 35 3.940 3.964 -0.024 1
1 395 . 11 1 1 A 35 35 GLY HA3 H 35 4.240 3.970 0.270 1
1 396 . 11 1 1 A 35 35 GLY C C 35 173.900 174.426 -0.526 1
1 397 . 11 1 1 A 35 35 GLY CA C 35 46.900 44.960 1.940 1
1 398 . 11 1 1 A 35 35 GLY N N 35 108.700 109.245 -0.545 1
1 399 . 11 1 1 A 36 36 LEU H H 36 7.430 7.816 -0.386 1
1 400 . 11 1 1 A 36 36 LEU HA H 36 3.930 4.363 -0.433 1
1 410 . 11 1 1 A 36 36 LEU C C 36 173.800 175.825 -2.025 1
1 411 . 11 1 1 A 36 36 LEU CA C 36 56.400 55.042 1.358 1
1 412 . 11 1 1 A 36 36 LEU CB C 36 43.300 42.185 1.115 1
1 416 . 11 1 1 A 36 36 LEU N N 36 121.100 122.846 -1.746 1
1 417 . 11 1 1 A 37 37 ALA H H 37 7.990 8.635 -0.645 1
1 418 . 11 1 1 A 37 37 ALA HA H 37 5.240 5.190 0.050 1
1 422 . 11 1 1 A 37 37 ALA C C 37 176.700 174.808 1.892 1
1 423 . 11 1 1 A 37 37 ALA CA C 37 49.800 50.180 -0.380 1
1 424 . 11 1 1 A 37 37 ALA CB C 37 22.200 22.847 -0.647 1
1 425 . 11 1 1 A 37 37 ALA N N 37 119.900 122.759 -2.859 1
1 426 . 11 1 1 A 38 38 TYR H H 38 9.740 9.368 0.372 1
1 427 . 11 1 1 A 38 38 TYR HA H 38 4.730 4.972 -0.242 1
1 434 . 11 1 1 A 38 38 TYR CA C 38 55.900 55.026 0.874 1
1 435 . 11 1 1 A 38 38 TYR CB C 38 38.800 40.486 -1.686 1
1 440 . 11 1 1 A 38 38 TYR N N 38 125.300 119.393 5.907 1
1 441 . 11 1 1 A 39 39 PRO HA H 39 4.700 4.698 0.002 1
1 448 . 11 1 1 A 39 39 PRO C C 39 175.100 175.285 -0.185 1
1 449 . 11 1 1 A 39 39 PRO CA C 39 63.100 62.333 0.767 1
1 450 . 11 1 1 A 39 39 PRO CB C 39 32.900 32.577 0.323 1
1 453 . 11 1 1 A 40 40 VAL H H 40 7.830 8.244 -0.414 1
1 454 . 11 1 1 A 40 40 VAL HA H 40 4.190 4.549 -0.359 1
1 462 . 11 1 1 A 40 40 VAL C C 40 176.300 174.074 2.226 1
1 463 . 11 1 1 A 40 40 VAL CA C 40 62.100 61.201 0.899 1
1 464 . 11 1 1 A 40 40 VAL CB C 40 32.300 33.100 -0.800 1
1 467 . 11 1 1 A 40 40 VAL N N 40 119.300 120.656 -1.356 1
1 468 . 11 1 1 A 41 41 ARG H H 41 8.410 9.299 -0.889 1
1 469 . 11 1 1 A 41 41 ARG HA H 41 4.680 4.745 -0.065 1
1 476 . 11 1 1 A 41 41 ARG C C 41 175.900 175.114 0.786 1
1 477 . 11 1 1 A 41 41 ARG CA C 41 55.100 55.001 0.099 1
1 478 . 11 1 1 A 41 41 ARG CB C 41 32.200 32.758 -0.558 1
1 481 . 11 1 1 A 41 41 ARG N N 41 127.400 127.236 0.164 1
1 482 . 11 1 1 A 42 42 ASP H H 42 9.440 9.441 -0.001 1
1 483 . 11 1 1 A 42 42 ASP HA H 42 4.270 4.451 -0.181 1
1 486 . 11 1 1 A 42 42 ASP C C 42 175.800 176.303 -0.503 1
1 487 . 11 1 1 A 42 42 ASP CA C 42 55.400 55.366 0.034 1
1 488 . 11 1 1 A 42 42 ASP CB C 42 39.700 39.560 0.140 1
1 489 . 11 1 1 A 42 42 ASP N N 42 127.200 127.802 -0.602 1
1 490 . 11 1 1 A 43 43 GLY H H 43 8.390 8.724 -0.334 1
1 491 . 11 1 1 A 43 43 GLY HA2 H 43 3.420 3.855 -0.435 1
1 492 . 11 1 1 A 43 43 GLY HA3 H 43 4.100 3.856 0.244 1
1 493 . 11 1 1 A 43 43 GLY C C 43 173.400 173.802 -0.402 1
1 494 . 11 1 1 A 43 43 GLY CA C 43 45.200 45.410 -0.210 1
1 495 . 11 1 1 A 43 43 GLY N N 43 102.300 104.434 -2.134 1
1 496 . 11 1 1 A 44 44 ILE H H 44 7.760 8.287 -0.527 1
1 497 . 11 1 1 A 44 44 ILE HA H 44 4.610 4.488 0.122 1
1 507 . 11 1 1 A 44 44 ILE CA C 44 57.300 57.766 -0.466 1
1 508 . 11 1 1 A 44 44 ILE CB C 44 39.500 40.197 -0.697 1
1 512 . 11 1 1 A 44 44 ILE N N 44 121.900 121.970 -0.070 1
1 513 . 11 1 1 A 45 45 PRO HA H 45 4.570 4.674 -0.104 1
1 520 . 11 1 1 A 45 45 PRO C C 45 175.900 176.304 -0.404 1
1 521 . 11 1 1 A 45 45 PRO CA C 45 62.600 62.614 -0.014 1
1 522 . 11 1 1 A 45 45 PRO CB C 45 32.400 32.642 -0.242 1
1 525 . 11 1 1 A 46 46 VAL H H 46 8.790 8.559 0.231 1
1 526 . 11 1 1 A 46 46 VAL HA H 46 4.050 4.252 -0.202 1
1 534 . 11 1 1 A 46 46 VAL C C 46 175.200 175.898 -0.698 1
1 535 . 11 1 1 A 46 46 VAL CA C 46 61.700 61.808 -0.108 1
1 536 . 11 1 1 A 46 46 VAL CB C 46 30.800 32.326 -1.526 1
1 539 . 11 1 1 A 46 46 VAL N N 46 127.200 122.165 5.035 1
1 540 . 11 1 1 A 47 47 LEU H H 47 8.100 8.734 -0.634 1
1 541 . 11 1 1 A 47 47 LEU HA H 47 4.210 4.430 -0.220 1
1 551 . 11 1 1 A 47 47 LEU C C 47 175.600 175.716 -0.116 1
1 552 . 11 1 1 A 47 47 LEU CA C 47 52.700 53.783 -1.083 1
1 553 . 11 1 1 A 47 47 LEU CB C 47 39.400 41.855 -2.455 1
1 557 . 11 1 1 A 47 47 LEU N N 47 127.100 126.098 1.002 1
1 558 . 11 1 1 A 48 48 LEU H H 48 7.370 7.566 -0.196 1
1 559 . 11 1 1 A 48 48 LEU HA H 48 4.830 4.575 0.255 1
1 569 . 11 1 1 A 48 48 LEU C C 48 177.900 177.046 0.854 1
1 570 . 11 1 1 A 48 48 LEU CA C 48 52.800 53.651 -0.851 1
1 571 . 11 1 1 A 48 48 LEU CB C 48 44.200 43.169 1.031 1
1 575 . 11 1 1 A 48 48 LEU N N 48 121.200 121.799 -0.599 1
1 576 . 11 1 1 A 49 49 VAL H H 49 9.020 8.648 0.372 1
1 577 . 11 1 1 A 49 49 VAL HA H 49 3.790 3.775 0.015 1
1 585 . 11 1 1 A 49 49 VAL C C 49 178.100 177.216 0.884 1
1 586 . 11 1 1 A 49 49 VAL CA C 49 66.700 66.717 -0.017 1
1 587 . 11 1 1 A 49 49 VAL CB C 49 31.900 31.946 -0.046 1
1 590 . 11 1 1 A 49 49 VAL N N 49 124.600 122.654 1.946 1
1 591 . 11 1 1 A 50 50 ASP H H 50 8.750 8.153 0.597 1
1 592 . 11 1 1 A 50 50 ASP HA H 50 4.490 4.404 0.086 1
1 595 . 11 1 1 A 50 50 ASP C C 50 176.900 177.517 -0.617 1
1 596 . 11 1 1 A 50 50 ASP CA C 50 56.200 57.377 -1.177 1
1 597 . 11 1 1 A 50 50 ASP CB C 50 40.400 40.421 -0.021 1
1 598 . 11 1 1 A 50 50 ASP N N 50 117.300 119.297 -1.997 1
1 599 . 11 1 1 A 51 51 GLU H H 51 7.500 7.431 0.069 1
1 600 . 11 1 1 A 51 51 GLU HA H 51 4.470 4.420 0.050 1
1 605 . 11 1 1 A 51 51 GLU C C 51 175.300 176.349 -1.049 1
1 606 . 11 1 1 A 51 51 GLU CA C 51 55.600 56.214 -0.614 1
1 607 . 11 1 1 A 51 51 GLU CB C 51 30.300 30.722 -0.422 1
1 609 . 11 1 1 A 51 51 GLU N N 51 116.100 117.294 -1.194 1
1 610 . 11 1 1 A 52 52 ALA H H 52 7.370 7.290 0.080 1
1 611 . 11 1 1 A 52 52 ALA HA H 52 4.360 3.639 0.721 1
1 615 . 11 1 1 A 52 52 ALA C C 52 177.100 177.139 -0.039 1
1 616 . 11 1 1 A 52 52 ALA CA C 52 51.900 52.743 -0.843 1
1 617 . 11 1 1 A 52 52 ALA CB C 52 20.900 18.859 2.041 1
1 618 . 11 1 1 A 52 52 ALA N N 52 122.000 123.513 -1.513 1
1 619 . 11 1 1 A 53 53 ARG H H 53 8.880 8.750 0.130 1
1 620 . 11 1 1 A 53 53 ARG HA H 53 4.560 4.699 -0.139 1
1 628 . 11 1 1 A 53 53 ARG C C 53 175.800 175.733 0.067 1
1 629 . 11 1 1 A 53 53 ARG CA C 53 54.900 54.182 0.718 1
1 630 . 11 1 1 A 53 53 ARG CB C 53 32.500 32.469 0.031 1
1 633 . 11 1 1 A 53 53 ARG N N 53 121.500 122.057 -0.557 1
1 635 . 11 1 1 A 54 54 ARG H H 54 8.780 8.283 0.497 1
1 636 . 11 1 1 A 54 54 ARG HA H 54 4.560 4.638 -0.078 1
1 643 . 11 1 1 A 54 54 ARG CA C 54 54.000 54.123 -0.123 1
1 644 . 11 1 1 A 54 54 ARG CB C 54 30.100 29.710 0.390 1
1 647 . 11 1 1 A 54 54 ARG N N 54 127.200 122.022 5.178 1
1 648 . 11 1 1 A 55 55 PRO HA H 55 4.380 4.824 -0.444 1
1 655 . 11 1 1 A 55 55 PRO C C 55 176.000 176.359 -0.359 1
1 656 . 11 1 1 A 55 55 PRO CA C 55 63.500 62.925 0.575 1
1 657 . 11 1 1 A 55 55 PRO CB C 55 32.000 33.031 -1.031 1
1 3 . 12 1 1 A 2 2 PRO HA H 2 4.460 4.455 0.005 1
1 10 . 12 1 1 A 2 2 PRO C C 2 176.800 175.414 1.386 1
1 11 . 12 1 1 A 2 2 PRO CA C 2 63.100 63.153 -0.053 1
1 12 . 12 1 1 A 2 2 PRO CB C 2 32.100 32.142 -0.042 1
1 15 . 12 1 1 A 3 3 LEU H H 3 8.520 8.379 0.141 1
1 16 . 12 1 1 A 3 3 LEU HA H 3 4.260 4.817 -0.557 1
1 26 . 12 1 1 A 3 3 LEU C C 3 177.700 174.725 2.975 1
1 27 . 12 1 1 A 3 3 LEU CA C 3 55.400 53.091 2.309 1
1 28 . 12 1 1 A 3 3 LEU CB C 3 42.500 44.922 -2.422 1
1 32 . 12 1 1 A 3 3 LEU N N 3 122.400 122.952 -0.552 1
1 33 . 12 1 1 A 4 4 GLU H H 4 8.430 8.687 -0.257 1
1 34 . 12 1 1 A 4 4 GLU HA H 4 4.200 4.966 -0.766 1
1 39 . 12 1 1 A 4 4 GLU C C 4 176.400 175.929 0.471 1
1 40 . 12 1 1 A 4 4 GLU CA C 4 56.600 55.663 0.937 1
1 41 . 12 1 1 A 4 4 GLU CB C 4 30.200 30.642 -0.442 1
1 43 . 12 1 1 A 4 4 GLU N N 4 122.100 126.376 -4.276 1
1 44 . 12 1 1 A 5 5 ALA H H 5 8.420 8.559 -0.139 1
1 45 . 12 1 1 A 5 5 ALA HA H 5 4.210 4.794 -0.584 1
1 49 . 12 1 1 A 5 5 ALA C C 5 178.700 177.763 0.937 1
1 50 . 12 1 1 A 5 5 ALA CA C 5 53.500 51.819 1.681 1
1 51 . 12 1 1 A 5 5 ALA CB C 5 19.000 22.819 -3.819 1
1 52 . 12 1 1 A 5 5 ALA N N 5 125.900 125.033 0.867 1
1 53 . 12 1 1 A 6 6 GLY H H 6 8.530 9.011 -0.481 1
1 54 . 12 1 1 A 6 6 GLY HA2 H 6 3.910 3.861 0.049 1
1 55 . 12 1 1 A 6 6 GLY HA3 H 6 3.950 3.862 0.088 1
1 56 . 12 1 1 A 6 6 GLY C C 6 174.700 174.748 -0.048 1
1 57 . 12 1 1 A 6 6 GLY CA C 6 45.600 46.144 -0.544 1
1 58 . 12 1 1 A 6 6 GLY N N 6 108.100 111.698 -3.598 1
1 59 . 12 1 1 A 7 7 LEU H H 7 7.850 7.649 0.201 1
1 60 . 12 1 1 A 7 7 LEU HA H 7 4.300 4.371 -0.071 1
1 70 . 12 1 1 A 7 7 LEU C C 7 177.700 176.946 0.754 1
1 71 . 12 1 1 A 7 7 LEU CA C 7 55.800 55.447 0.353 1
1 72 . 12 1 1 A 7 7 LEU CB C 7 42.500 41.973 0.527 1
1 76 . 12 1 1 A 7 7 LEU N N 7 121.300 120.542 0.758 1
1 77 . 12 1 1 A 8 8 LEU H H 8 8.190 7.011 1.179 1
1 78 . 12 1 1 A 8 8 LEU HA H 8 4.160 4.180 -0.020 1
1 88 . 12 1 1 A 8 8 LEU C C 8 177.700 176.595 1.105 1
1 89 . 12 1 1 A 8 8 LEU CA C 8 56.100 54.898 1.202 1
1 90 . 12 1 1 A 8 8 LEU CB C 8 42.100 42.355 -0.255 1
1 94 . 12 1 1 A 8 8 LEU N N 8 120.600 120.300 0.300 1
1 95 . 12 1 1 A 9 9 GLU H H 9 8.150 8.314 -0.164 1
1 96 . 12 1 1 A 9 9 GLU HA H 9 4.240 4.339 -0.099 1
1 101 . 12 1 1 A 9 9 GLU C C 9 176.400 175.262 1.138 1
1 102 . 12 1 1 A 9 9 GLU CA C 9 57.000 57.114 -0.114 1
1 103 . 12 1 1 A 9 9 GLU CB C 9 30.200 30.593 -0.393 1
1 105 . 12 1 1 A 9 9 GLU N N 9 118.800 122.038 -3.238 1
1 106 . 12 1 1 A 10 10 ILE H H 10 7.860 8.613 -0.753 1
1 107 . 12 1 1 A 10 10 ILE HA H 10 4.280 4.788 -0.508 1
1 117 . 12 1 1 A 10 10 ILE C C 10 176.100 174.569 1.531 1
1 118 . 12 1 1 A 10 10 ILE CA C 10 60.800 59.217 1.583 1
1 119 . 12 1 1 A 10 10 ILE CB C 10 38.900 41.803 -2.903 1
1 123 . 12 1 1 A 10 10 ILE N N 10 118.600 125.886 -7.286 1
1 124 . 12 1 1 A 11 11 LEU H H 11 8.250 8.690 -0.440 1
1 125 . 12 1 1 A 11 11 LEU HA H 11 4.380 4.329 0.051 1
1 135 . 12 1 1 A 11 11 LEU C C 11 175.200 175.895 -0.695 1
1 136 . 12 1 1 A 11 11 LEU CA C 11 54.400 54.938 -0.538 1
1 137 . 12 1 1 A 11 11 LEU CB C 11 43.400 42.384 1.016 1
1 141 . 12 1 1 A 11 11 LEU N N 11 125.900 129.216 -3.316 1
1 142 . 12 1 1 A 12 12 ALA H H 12 7.920 8.374 -0.454 1
1 143 . 12 1 1 A 12 12 ALA HA H 12 4.620 4.960 -0.340 1
1 147 . 12 1 1 A 12 12 ALA C C 12 175.700 175.763 -0.063 1
1 148 . 12 1 1 A 12 12 ALA CA C 12 50.100 50.498 -0.398 1
1 149 . 12 1 1 A 12 12 ALA CB C 12 22.000 22.650 -0.650 1
1 150 . 12 1 1 A 12 12 ALA N N 12 123.700 122.709 0.991 1
1 151 . 12 1 1 A 13 13 CYS H H 13 9.310 8.473 0.837 1
1 152 . 12 1 1 A 13 13 CYS HA H 13 4.130 4.880 -0.750 1
1 155 . 12 1 1 A 13 13 CYS CA C 13 56.900 57.431 -0.531 1
1 156 . 12 1 1 A 13 13 CYS CB C 13 31.600 27.996 3.604 1
1 157 . 12 1 1 A 13 13 CYS N N 13 124.400 121.709 2.691 1
1 158 . 12 1 1 A 14 14 PRO HA H 14 4.340 4.351 -0.011 1
1 165 . 12 1 1 A 14 14 PRO C C 14 176.300 176.926 -0.626 1
1 166 . 12 1 1 A 14 14 PRO CA C 14 64.200 63.782 0.418 1
1 167 . 12 1 1 A 14 14 PRO CB C 14 31.800 31.968 -0.168 1
1 170 . 12 1 1 A 15 15 ALA H H 15 8.690 8.571 0.119 1
1 171 . 12 1 1 A 15 15 ALA HA H 15 4.340 3.952 0.388 1
1 175 . 12 1 1 A 15 15 ALA C C 15 178.300 176.177 2.123 1
1 176 . 12 1 1 A 15 15 ALA CA C 15 54.300 54.493 -0.193 1
1 177 . 12 1 1 A 15 15 ALA CB C 15 20.100 17.623 2.477 1
1 178 . 12 1 1 A 15 15 ALA N N 15 123.400 118.978 4.422 1
1 179 . 12 1 1 A 16 16 CYS H H 16 8.290 7.385 0.905 1
1 180 . 12 1 1 A 16 16 CYS HA H 16 4.860 4.962 -0.102 1
1 183 . 12 1 1 A 16 16 CYS C C 16 176.700 173.532 3.168 1
1 184 . 12 1 1 A 16 16 CYS CA C 16 58.800 57.320 1.480 1
1 185 . 12 1 1 A 16 16 CYS CB C 16 32.600 31.101 1.499 1
1 186 . 12 1 1 A 16 16 CYS N N 16 117.000 114.489 2.511 1
1 187 . 12 1 1 A 17 17 HIS H H 17 8.300 8.678 -0.378 1
1 188 . 12 1 1 A 17 17 HIS HA H 17 4.440 4.830 -0.390 1
1 193 . 12 1 1 A 17 17 HIS C C 17 173.000 174.198 -1.198 1
1 194 . 12 1 1 A 17 17 HIS CA C 17 57.700 54.847 2.853 1
1 195 . 12 1 1 A 17 17 HIS CB C 17 26.500 31.117 -4.617 1
1 198 . 12 1 1 A 17 17 HIS N N 17 117.800 121.251 -3.451 1
1 199 . 12 1 1 A 18 18 ALA H H 18 9.080 7.311 1.769 1
1 200 . 12 1 1 A 18 18 ALA HA H 18 4.640 4.514 0.126 1
1 204 . 12 1 1 A 18 18 ALA CA C 18 52.100 50.270 1.830 1
1 205 . 12 1 1 A 18 18 ALA CB C 18 19.000 20.491 -1.491 1
1 206 . 12 1 1 A 18 18 ALA N N 18 127.600 122.350 5.250 1
1 207 . 12 1 1 A 19 19 PRO HA H 19 4.540 4.534 0.006 1
1 214 . 12 1 1 A 19 19 PRO C C 19 177.000 175.404 1.596 1
1 215 . 12 1 1 A 19 19 PRO CA C 19 63.300 62.287 1.013 1
1 216 . 12 1 1 A 19 19 PRO CB C 19 32.500 33.105 -0.605 1
1 219 . 12 1 1 A 20 20 LEU H H 20 8.450 8.417 0.033 1
1 220 . 12 1 1 A 20 20 LEU HA H 20 5.050 5.052 -0.002 1
1 230 . 12 1 1 A 20 20 LEU C C 20 176.700 175.614 1.086 1
1 231 . 12 1 1 A 20 20 LEU CA C 20 53.300 53.101 0.199 1
1 232 . 12 1 1 A 20 20 LEU CB C 20 44.800 44.910 -0.110 1
1 236 . 12 1 1 A 20 20 LEU N N 20 121.400 121.443 -0.043 1
1 237 . 12 1 1 A 21 21 GLU H H 21 9.030 9.404 -0.374 1
1 238 . 12 1 1 A 21 21 GLU HA H 21 4.660 4.895 -0.235 1
1 243 . 12 1 1 A 21 21 GLU C C 21 175.100 176.129 -1.029 1
1 244 . 12 1 1 A 21 21 GLU CA C 21 54.100 54.870 -0.770 1
1 245 . 12 1 1 A 21 21 GLU CB C 21 33.000 31.395 1.605 1
1 247 . 12 1 1 A 21 21 GLU N N 21 120.700 121.831 -1.131 1
1 248 . 12 1 1 A 22 22 GLU H H 22 8.950 8.711 0.239 1
1 249 . 12 1 1 A 22 22 GLU HA H 22 4.630 4.381 0.249 1
1 254 . 12 1 1 A 22 22 GLU C C 22 176.000 175.692 0.308 1
1 255 . 12 1 1 A 22 22 GLU CA C 22 56.800 56.591 0.209 1
1 256 . 12 1 1 A 22 22 GLU CB C 22 30.200 29.983 0.217 1
1 258 . 12 1 1 A 22 22 GLU N N 22 125.900 126.426 -0.526 1
1 259 . 12 1 1 A 23 23 ARG H H 23 8.830 9.097 -0.267 1
1 260 . 12 1 1 A 23 23 ARG HA H 23 4.500 4.557 -0.057 1
1 267 . 12 1 1 A 23 23 ARG C C 23 175.000 175.508 -0.508 1
1 268 . 12 1 1 A 23 23 ARG CA C 23 55.600 55.734 -0.134 1
1 269 . 12 1 1 A 23 23 ARG CB C 23 32.100 32.396 -0.296 1
1 272 . 12 1 1 A 23 23 ARG N N 23 128.000 124.404 3.596 1
1 273 . 12 1 1 A 24 24 ASP H H 24 9.150 9.095 0.055 1
1 274 . 12 1 1 A 24 24 ASP HA H 24 4.180 4.480 -0.300 1
1 277 . 12 1 1 A 24 24 ASP C C 24 174.900 175.701 -0.801 1
1 278 . 12 1 1 A 24 24 ASP CA C 24 56.600 56.377 0.223 1
1 279 . 12 1 1 A 24 24 ASP CB C 24 39.600 40.152 -0.552 1
1 280 . 12 1 1 A 24 24 ASP N N 24 126.000 127.475 -1.475 1
1 281 . 12 1 1 A 25 25 ALA H H 25 8.480 8.398 0.082 1
1 282 . 12 1 1 A 25 25 ALA HA H 25 4.370 4.469 -0.099 1
1 286 . 12 1 1 A 25 25 ALA C C 25 175.700 176.531 -0.831 1
1 287 . 12 1 1 A 25 25 ALA CA C 25 52.600 51.550 1.050 1
1 288 . 12 1 1 A 25 25 ALA CB C 25 18.100 19.309 -1.209 1
1 289 . 12 1 1 A 25 25 ALA N N 25 122.800 128.754 -5.954 1
1 290 . 12 1 1 A 26 26 GLU H H 26 7.770 8.263 -0.493 1
1 291 . 12 1 1 A 26 26 GLU HA H 26 5.100 4.934 0.166 1
1 296 . 12 1 1 A 26 26 GLU C C 26 174.600 174.146 0.454 1
1 297 . 12 1 1 A 26 26 GLU CA C 26 54.700 55.096 -0.396 1
1 298 . 12 1 1 A 26 26 GLU CB C 26 35.100 33.259 1.841 1
1 300 . 12 1 1 A 26 26 GLU N N 26 116.600 116.038 0.562 1
1 301 . 12 1 1 A 27 27 LEU H H 27 9.190 9.534 -0.344 1
1 302 . 12 1 1 A 27 27 LEU HA H 27 5.010 5.287 -0.277 1
1 312 . 12 1 1 A 27 27 LEU C C 27 175.500 175.455 0.045 1
1 313 . 12 1 1 A 27 27 LEU CA C 27 53.200 53.459 -0.259 1
1 314 . 12 1 1 A 27 27 LEU CB C 27 44.400 44.091 0.309 1
1 318 . 12 1 1 A 27 27 LEU N N 27 120.900 123.138 -2.238 1
1 319 . 12 1 1 A 28 28 ILE H H 28 9.480 9.651 -0.171 1
1 320 . 12 1 1 A 28 28 ILE HA H 28 4.770 4.752 0.018 1
1 330 . 12 1 1 A 28 28 ILE C C 28 175.300 175.469 -0.169 1
1 331 . 12 1 1 A 28 28 ILE CA C 28 60.000 59.977 0.023 1
1 332 . 12 1 1 A 28 28 ILE CB C 28 39.700 39.593 0.107 1
1 336 . 12 1 1 A 28 28 ILE N N 28 123.300 124.506 -1.206 1
1 337 . 12 1 1 A 29 29 CYS H H 29 9.160 9.164 -0.004 1
1 338 . 12 1 1 A 29 29 CYS HA H 29 4.250 4.516 -0.266 1
1 341 . 12 1 1 A 29 29 CYS C C 29 176.700 174.740 1.960 1
1 342 . 12 1 1 A 29 29 CYS CA C 29 62.000 59.839 2.161 1
1 343 . 12 1 1 A 29 29 CYS CB C 29 30.400 28.534 1.866 1
1 344 . 12 1 1 A 29 29 CYS N N 29 130.800 127.484 3.316 1
1 345 . 12 1 1 A 30 30 THR H H 30 7.840 8.765 -0.925 1
1 346 . 12 1 1 A 30 30 THR HA H 30 4.280 4.094 0.186 1
1 351 . 12 1 1 A 30 30 THR C C 30 175.300 174.703 0.597 1
1 352 . 12 1 1 A 30 30 THR CA C 30 62.400 64.657 -2.257 1
1 353 . 12 1 1 A 30 30 THR CB C 30 70.500 68.909 1.591 1
1 355 . 12 1 1 A 30 30 THR N N 30 118.800 122.705 -3.905 1
1 356 . 12 1 1 A 31 31 GLY H H 31 10.310 8.582 1.728 1
1 357 . 12 1 1 A 31 31 GLY HA2 H 31 3.710 4.258 -0.548 1
1 358 . 12 1 1 A 31 31 GLY HA3 H 31 3.960 4.262 -0.302 1
1 359 . 12 1 1 A 31 31 GLY C C 31 175.900 174.263 1.637 1
1 360 . 12 1 1 A 31 31 GLY CA C 31 45.300 44.588 0.712 1
1 361 . 12 1 1 A 31 31 GLY N N 31 120.100 112.001 8.099 1
1 362 . 12 1 1 A 32 32 GLN H H 32 8.940 8.814 0.126 1
1 363 . 12 1 1 A 32 32 GLN HA H 32 3.990 4.137 -0.147 1
1 370 . 12 1 1 A 32 32 GLN C C 32 176.400 176.923 -0.523 1
1 371 . 12 1 1 A 32 32 GLN CA C 32 58.200 58.514 -0.314 1
1 372 . 12 1 1 A 32 32 GLN CB C 32 28.800 27.815 0.985 1
1 375 . 12 1 1 A 32 32 GLN N N 32 127.200 120.788 6.412 1
1 377 . 12 1 1 A 33 33 ASP H H 33 8.560 8.434 0.126 1
1 378 . 12 1 1 A 33 33 ASP HA H 33 4.610 4.430 0.180 1
1 381 . 12 1 1 A 33 33 ASP C C 33 174.500 177.458 -2.958 1
1 382 . 12 1 1 A 33 33 ASP CA C 33 54.000 54.585 -0.585 1
1 383 . 12 1 1 A 33 33 ASP CB C 33 40.400 39.977 0.423 1
1 384 . 12 1 1 A 33 33 ASP N N 33 117.200 117.629 -0.429 1
1 385 . 12 1 1 A 34 34 CYS H H 34 7.330 7.682 -0.352 1
1 386 . 12 1 1 A 34 34 CYS HA H 34 4.480 4.341 0.139 1
1 389 . 12 1 1 A 34 34 CYS C C 34 175.500 175.658 -0.158 1
1 390 . 12 1 1 A 34 34 CYS CA C 34 60.100 60.818 -0.718 1
1 391 . 12 1 1 A 34 34 CYS CB C 34 31.200 28.398 2.802 1
1 392 . 12 1 1 A 34 34 CYS N N 34 123.800 118.395 5.405 1
1 393 . 12 1 1 A 35 35 GLY H H 35 8.020 7.750 0.270 1
1 394 . 12 1 1 A 35 35 GLY HA2 H 35 3.940 3.833 0.107 1
1 395 . 12 1 1 A 35 35 GLY HA3 H 35 4.240 3.839 0.401 1
1 396 . 12 1 1 A 35 35 GLY C C 35 173.900 174.728 -0.828 1
1 397 . 12 1 1 A 35 35 GLY CA C 35 46.900 46.997 -0.097 1
1 398 . 12 1 1 A 35 35 GLY N N 35 108.700 108.551 0.149 1
1 399 . 12 1 1 A 36 36 LEU H H 36 7.430 8.286 -0.856 1
1 400 . 12 1 1 A 36 36 LEU HA H 36 3.930 3.864 0.066 1
1 410 . 12 1 1 A 36 36 LEU C C 36 173.800 175.466 -1.666 1
1 411 . 12 1 1 A 36 36 LEU CA C 36 56.400 55.365 1.035 1
1 412 . 12 1 1 A 36 36 LEU CB C 36 43.300 40.800 2.500 1
1 416 . 12 1 1 A 36 36 LEU N N 36 121.100 124.060 -2.960 1
1 417 . 12 1 1 A 37 37 ALA H H 37 7.990 9.012 -1.022 1
1 418 . 12 1 1 A 37 37 ALA HA H 37 5.240 5.095 0.145 1
1 422 . 12 1 1 A 37 37 ALA C C 37 176.700 175.210 1.490 1
1 423 . 12 1 1 A 37 37 ALA CA C 37 49.800 50.026 -0.226 1
1 424 . 12 1 1 A 37 37 ALA CB C 37 22.200 20.370 1.830 1
1 425 . 12 1 1 A 37 37 ALA N N 37 119.900 128.391 -8.491 1
1 426 . 12 1 1 A 38 38 TYR H H 38 9.740 9.343 0.397 1
1 427 . 12 1 1 A 38 38 TYR HA H 38 4.730 4.958 -0.228 1
1 434 . 12 1 1 A 38 38 TYR CA C 38 55.900 55.280 0.620 1
1 435 . 12 1 1 A 38 38 TYR CB C 38 38.800 39.364 -0.564 1
1 440 . 12 1 1 A 38 38 TYR N N 38 125.300 122.968 2.332 1
1 441 . 12 1 1 A 39 39 PRO HA H 39 4.700 4.717 -0.017 1
1 448 . 12 1 1 A 39 39 PRO C C 39 175.100 175.446 -0.346 1
1 449 . 12 1 1 A 39 39 PRO CA C 39 63.100 62.361 0.739 1
1 450 . 12 1 1 A 39 39 PRO CB C 39 32.900 32.557 0.343 1
1 453 . 12 1 1 A 40 40 VAL H H 40 7.830 8.255 -0.425 1
1 454 . 12 1 1 A 40 40 VAL HA H 40 4.190 4.440 -0.250 1
1 462 . 12 1 1 A 40 40 VAL C C 40 176.300 174.073 2.227 1
1 463 . 12 1 1 A 40 40 VAL CA C 40 62.100 61.397 0.703 1
1 464 . 12 1 1 A 40 40 VAL CB C 40 32.300 32.904 -0.604 1
1 467 . 12 1 1 A 40 40 VAL N N 40 119.300 121.131 -1.831 1
1 468 . 12 1 1 A 41 41 ARG H H 41 8.410 9.324 -0.914 1
1 469 . 12 1 1 A 41 41 ARG HA H 41 4.680 4.735 -0.055 1
1 476 . 12 1 1 A 41 41 ARG C C 41 175.900 175.378 0.522 1
1 477 . 12 1 1 A 41 41 ARG CA C 41 55.100 55.020 0.080 1
1 478 . 12 1 1 A 41 41 ARG CB C 41 32.200 32.658 -0.458 1
1 481 . 12 1 1 A 41 41 ARG N N 41 127.400 127.213 0.187 1
1 482 . 12 1 1 A 42 42 ASP H H 42 9.440 9.451 -0.011 1
1 483 . 12 1 1 A 42 42 ASP HA H 42 4.270 4.287 -0.017 1
1 486 . 12 1 1 A 42 42 ASP C C 42 175.800 175.417 0.383 1
1 487 . 12 1 1 A 42 42 ASP CA C 42 55.400 55.057 0.343 1
1 488 . 12 1 1 A 42 42 ASP CB C 42 39.700 39.717 -0.017 1
1 489 . 12 1 1 A 42 42 ASP N N 42 127.200 126.790 0.410 1
1 490 . 12 1 1 A 43 43 GLY H H 43 8.390 8.621 -0.231 1
1 491 . 12 1 1 A 43 43 GLY HA2 H 43 3.420 3.828 -0.408 1
1 492 . 12 1 1 A 43 43 GLY HA3 H 43 4.100 3.830 0.270 1
1 493 . 12 1 1 A 43 43 GLY C C 43 173.400 173.761 -0.361 1
1 494 . 12 1 1 A 43 43 GLY CA C 43 45.200 45.470 -0.270 1
1 495 . 12 1 1 A 43 43 GLY N N 43 102.300 103.842 -1.542 1
1 496 . 12 1 1 A 44 44 ILE H H 44 7.760 8.305 -0.545 1
1 497 . 12 1 1 A 44 44 ILE HA H 44 4.610 4.462 0.148 1
1 507 . 12 1 1 A 44 44 ILE CA C 44 57.300 57.792 -0.492 1
1 508 . 12 1 1 A 44 44 ILE CB C 44 39.500 40.132 -0.632 1
1 512 . 12 1 1 A 44 44 ILE N N 44 121.900 121.920 -0.020 1
1 513 . 12 1 1 A 45 45 PRO HA H 45 4.570 4.639 -0.069 1
1 520 . 12 1 1 A 45 45 PRO C C 45 175.900 176.033 -0.133 1
1 521 . 12 1 1 A 45 45 PRO CA C 45 62.600 62.705 -0.105 1
1 522 . 12 1 1 A 45 45 PRO CB C 45 32.400 32.392 0.008 1
1 525 . 12 1 1 A 46 46 VAL H H 46 8.790 8.737 0.053 1
1 526 . 12 1 1 A 46 46 VAL HA H 46 4.050 4.164 -0.114 1
1 534 . 12 1 1 A 46 46 VAL C C 46 175.200 176.029 -0.829 1
1 535 . 12 1 1 A 46 46 VAL CA C 46 61.700 61.691 0.009 1
1 536 . 12 1 1 A 46 46 VAL CB C 46 30.800 31.550 -0.750 1
1 539 . 12 1 1 A 46 46 VAL N N 46 127.200 121.957 5.243 1
1 540 . 12 1 1 A 47 47 LEU H H 47 8.100 8.880 -0.780 1
1 541 . 12 1 1 A 47 47 LEU HA H 47 4.210 4.397 -0.187 1
1 551 . 12 1 1 A 47 47 LEU C C 47 175.600 175.238 0.362 1
1 552 . 12 1 1 A 47 47 LEU CA C 47 52.700 53.783 -1.083 1
1 553 . 12 1 1 A 47 47 LEU CB C 47 39.400 41.273 -1.873 1
1 557 . 12 1 1 A 47 47 LEU N N 47 127.100 127.206 -0.106 1
1 558 . 12 1 1 A 48 48 LEU H H 48 7.370 7.459 -0.089 1
1 559 . 12 1 1 A 48 48 LEU HA H 48 4.830 4.614 0.216 1
1 569 . 12 1 1 A 48 48 LEU C C 48 177.900 177.112 0.788 1
1 570 . 12 1 1 A 48 48 LEU CA C 48 52.800 53.178 -0.378 1
1 571 . 12 1 1 A 48 48 LEU CB C 48 44.200 43.650 0.550 1
1 575 . 12 1 1 A 48 48 LEU N N 48 121.200 120.868 0.332 1
1 576 . 12 1 1 A 49 49 VAL H H 49 9.020 8.592 0.428 1
1 577 . 12 1 1 A 49 49 VAL HA H 49 3.790 3.775 0.015 1
1 585 . 12 1 1 A 49 49 VAL C C 49 178.100 177.310 0.790 1
1 586 . 12 1 1 A 49 49 VAL CA C 49 66.700 66.636 0.064 1
1 587 . 12 1 1 A 49 49 VAL CB C 49 31.900 31.910 -0.010 1
1 590 . 12 1 1 A 49 49 VAL N N 49 124.600 122.652 1.948 1
1 591 . 12 1 1 A 50 50 ASP H H 50 8.750 8.335 0.415 1
1 592 . 12 1 1 A 50 50 ASP HA H 50 4.490 4.311 0.179 1
1 595 . 12 1 1 A 50 50 ASP C C 50 176.900 177.861 -0.961 1
1 596 . 12 1 1 A 50 50 ASP CA C 50 56.200 57.754 -1.554 1
1 597 . 12 1 1 A 50 50 ASP CB C 50 40.400 42.039 -1.639 1
1 598 . 12 1 1 A 50 50 ASP N N 50 117.300 120.163 -2.863 1
1 599 . 12 1 1 A 51 51 GLU H H 51 7.500 7.600 -0.100 1
1 600 . 12 1 1 A 51 51 GLU HA H 51 4.470 4.419 0.051 1
1 605 . 12 1 1 A 51 51 GLU C C 51 175.300 176.274 -0.974 1
1 606 . 12 1 1 A 51 51 GLU CA C 51 55.600 56.404 -0.804 1
1 607 . 12 1 1 A 51 51 GLU CB C 51 30.300 30.155 0.145 1
1 609 . 12 1 1 A 51 51 GLU N N 51 116.100 116.189 -0.089 1
1 610 . 12 1 1 A 52 52 ALA H H 52 7.370 7.373 -0.003 1
1 611 . 12 1 1 A 52 52 ALA HA H 52 4.360 4.341 0.019 1
1 615 . 12 1 1 A 52 52 ALA C C 52 177.100 177.226 -0.126 1
1 616 . 12 1 1 A 52 52 ALA CA C 52 51.900 52.817 -0.917 1
1 617 . 12 1 1 A 52 52 ALA CB C 52 20.900 19.542 1.358 1
1 618 . 12 1 1 A 52 52 ALA N N 52 122.000 123.670 -1.670 1
1 619 . 12 1 1 A 53 53 ARG H H 53 8.880 8.761 0.119 1
1 620 . 12 1 1 A 53 53 ARG HA H 53 4.560 4.636 -0.076 1
1 628 . 12 1 1 A 53 53 ARG C C 53 175.800 175.584 0.216 1
1 629 . 12 1 1 A 53 53 ARG CA C 53 54.900 54.692 0.208 1
1 630 . 12 1 1 A 53 53 ARG CB C 53 32.500 32.721 -0.221 1
1 633 . 12 1 1 A 53 53 ARG N N 53 121.500 120.527 0.973 1
1 635 . 12 1 1 A 54 54 ARG H H 54 8.780 8.390 0.390 1
1 636 . 12 1 1 A 54 54 ARG HA H 54 4.560 4.636 -0.076 1
1 643 . 12 1 1 A 54 54 ARG CA C 54 54.000 53.848 0.152 1
1 644 . 12 1 1 A 54 54 ARG CB C 54 30.100 29.604 0.496 1
1 647 . 12 1 1 A 54 54 ARG N N 54 127.200 122.429 4.771 1
1 648 . 12 1 1 A 55 55 PRO HA H 55 4.380 4.482 -0.102 1
1 655 . 12 1 1 A 55 55 PRO C C 55 176.000 177.641 -1.641 1
1 656 . 12 1 1 A 55 55 PRO CA C 55 63.500 63.249 0.251 1
1 657 . 12 1 1 A 55 55 PRO CB C 55 32.000 32.594 -0.594 1
1 3 . 13 1 1 A 2 2 PRO HA H 2 4.460 4.516 -0.056 1
1 10 . 13 1 1 A 2 2 PRO C C 2 176.800 176.799 0.001 1
1 11 . 13 1 1 A 2 2 PRO CA C 2 63.100 62.870 0.230 1
1 12 . 13 1 1 A 2 2 PRO CB C 2 32.100 31.935 0.165 1
1 15 . 13 1 1 A 3 3 LEU H H 3 8.520 8.306 0.214 1
1 16 . 13 1 1 A 3 3 LEU HA H 3 4.260 4.435 -0.175 1
1 26 . 13 1 1 A 3 3 LEU C C 3 177.700 176.457 1.243 1
1 27 . 13 1 1 A 3 3 LEU CA C 3 55.400 53.462 1.938 1
1 28 . 13 1 1 A 3 3 LEU CB C 3 42.500 42.898 -0.398 1
1 32 . 13 1 1 A 3 3 LEU N N 3 122.400 118.914 3.486 1
1 33 . 13 1 1 A 4 4 GLU H H 4 8.430 8.616 -0.186 1
1 34 . 13 1 1 A 4 4 GLU HA H 4 4.200 4.287 -0.087 1
1 39 . 13 1 1 A 4 4 GLU C C 4 176.400 177.690 -1.290 1
1 40 . 13 1 1 A 4 4 GLU CA C 4 56.600 57.012 -0.412 1
1 41 . 13 1 1 A 4 4 GLU CB C 4 30.200 29.969 0.231 1
1 43 . 13 1 1 A 4 4 GLU N N 4 122.100 121.897 0.203 1
1 44 . 13 1 1 A 5 5 ALA H H 5 8.420 8.607 -0.187 1
1 45 . 13 1 1 A 5 5 ALA HA H 5 4.210 4.303 -0.093 1
1 49 . 13 1 1 A 5 5 ALA C C 5 178.700 177.539 1.161 1
1 50 . 13 1 1 A 5 5 ALA CA C 5 53.500 53.099 0.401 1
1 51 . 13 1 1 A 5 5 ALA CB C 5 19.000 19.814 -0.814 1
1 52 . 13 1 1 A 5 5 ALA N N 5 125.900 127.036 -1.136 1
1 53 . 13 1 1 A 6 6 GLY H H 6 8.530 7.790 0.740 1
1 54 . 13 1 1 A 6 6 GLY HA2 H 6 3.910 4.035 -0.125 1
1 55 . 13 1 1 A 6 6 GLY HA3 H 6 3.950 4.036 -0.086 1
1 56 . 13 1 1 A 6 6 GLY C C 6 174.700 173.061 1.639 1
1 57 . 13 1 1 A 6 6 GLY CA C 6 45.600 45.574 0.026 1
1 58 . 13 1 1 A 6 6 GLY N N 6 108.100 106.388 1.712 1
1 59 . 13 1 1 A 7 7 LEU H H 7 7.850 8.915 -1.065 1
1 60 . 13 1 1 A 7 7 LEU HA H 7 4.300 4.089 0.211 1
1 70 . 13 1 1 A 7 7 LEU C C 7 177.700 175.923 1.777 1
1 71 . 13 1 1 A 7 7 LEU CA C 7 55.800 55.834 -0.034 1
1 72 . 13 1 1 A 7 7 LEU CB C 7 42.500 40.792 1.708 1
1 76 . 13 1 1 A 7 7 LEU N N 7 121.300 120.118 1.182 1
1 77 . 13 1 1 A 8 8 LEU H H 8 8.190 8.249 -0.059 1
1 78 . 13 1 1 A 8 8 LEU HA H 8 4.160 3.918 0.242 1
1 88 . 13 1 1 A 8 8 LEU C C 8 177.700 176.643 1.057 1
1 89 . 13 1 1 A 8 8 LEU CA C 8 56.100 55.418 0.682 1
1 90 . 13 1 1 A 8 8 LEU CB C 8 42.100 40.821 1.279 1
1 94 . 13 1 1 A 8 8 LEU N N 8 120.600 120.329 0.271 1
1 95 . 13 1 1 A 9 9 GLU H H 9 8.150 8.503 -0.353 1
1 96 . 13 1 1 A 9 9 GLU HA H 9 4.240 4.427 -0.187 1
1 101 . 13 1 1 A 9 9 GLU C C 9 176.400 176.848 -0.448 1
1 102 . 13 1 1 A 9 9 GLU CA C 9 57.000 57.832 -0.832 1
1 103 . 13 1 1 A 9 9 GLU CB C 9 30.200 30.284 -0.084 1
1 105 . 13 1 1 A 9 9 GLU N N 9 118.800 125.798 -6.998 1
1 106 . 13 1 1 A 10 10 ILE H H 10 7.860 7.477 0.383 1
1 107 . 13 1 1 A 10 10 ILE HA H 10 4.280 4.059 0.221 1
1 117 . 13 1 1 A 10 10 ILE C C 10 176.100 175.256 0.844 1
1 118 . 13 1 1 A 10 10 ILE CA C 10 60.800 60.837 -0.037 1
1 119 . 13 1 1 A 10 10 ILE CB C 10 38.900 38.342 0.558 1
1 123 . 13 1 1 A 10 10 ILE N N 10 118.600 122.603 -4.003 1
1 124 . 13 1 1 A 11 11 LEU H H 11 8.250 9.045 -0.795 1
1 125 . 13 1 1 A 11 11 LEU HA H 11 4.380 4.988 -0.608 1
1 135 . 13 1 1 A 11 11 LEU C C 11 175.200 176.400 -1.200 1
1 136 . 13 1 1 A 11 11 LEU CA C 11 54.400 53.206 1.194 1
1 137 . 13 1 1 A 11 11 LEU CB C 11 43.400 43.032 0.368 1
1 141 . 13 1 1 A 11 11 LEU N N 11 125.900 129.142 -3.242 1
1 142 . 13 1 1 A 12 12 ALA H H 12 7.920 8.740 -0.820 1
1 143 . 13 1 1 A 12 12 ALA HA H 12 4.620 4.868 -0.248 1
1 147 . 13 1 1 A 12 12 ALA C C 12 175.700 177.712 -2.012 1
1 148 . 13 1 1 A 12 12 ALA CA C 12 50.100 50.977 -0.877 1
1 149 . 13 1 1 A 12 12 ALA CB C 12 22.000 20.304 1.696 1
1 150 . 13 1 1 A 12 12 ALA N N 12 123.700 127.650 -3.950 1
1 151 . 13 1 1 A 13 13 CYS H H 13 9.310 8.418 0.892 1
1 152 . 13 1 1 A 13 13 CYS HA H 13 4.130 4.456 -0.326 1
1 155 . 13 1 1 A 13 13 CYS CA C 13 56.900 58.377 -1.477 1
1 156 . 13 1 1 A 13 13 CYS CB C 13 31.600 26.492 5.108 1
1 157 . 13 1 1 A 13 13 CYS N N 13 124.400 119.340 5.060 1
1 158 . 13 1 1 A 14 14 PRO HA H 14 4.340 4.270 0.070 1
1 165 . 13 1 1 A 14 14 PRO C C 14 176.300 177.637 -1.337 1
1 166 . 13 1 1 A 14 14 PRO CA C 14 64.200 65.547 -1.347 1
1 167 . 13 1 1 A 14 14 PRO CB C 14 31.800 31.486 0.314 1
1 170 . 13 1 1 A 15 15 ALA H H 15 8.690 8.076 0.614 1
1 171 . 13 1 1 A 15 15 ALA HA H 15 4.340 4.510 -0.170 1
1 175 . 13 1 1 A 15 15 ALA C C 15 178.300 177.446 0.854 1
1 176 . 13 1 1 A 15 15 ALA CA C 15 54.300 53.644 0.656 1
1 177 . 13 1 1 A 15 15 ALA CB C 15 20.100 20.502 -0.402 1
1 178 . 13 1 1 A 15 15 ALA N N 15 123.400 117.855 5.545 1
1 179 . 13 1 1 A 16 16 CYS H H 16 8.290 7.575 0.715 1
1 180 . 13 1 1 A 16 16 CYS HA H 16 4.860 4.462 0.398 1
1 183 . 13 1 1 A 16 16 CYS C C 16 176.700 174.423 2.277 1
1 184 . 13 1 1 A 16 16 CYS CA C 16 58.800 59.618 -0.818 1
1 185 . 13 1 1 A 16 16 CYS CB C 16 32.600 28.084 4.516 1
1 186 . 13 1 1 A 16 16 CYS N N 16 117.000 115.058 1.942 1
1 187 . 13 1 1 A 17 17 HIS H H 17 8.300 8.933 -0.633 1
1 188 . 13 1 1 A 17 17 HIS HA H 17 4.440 5.218 -0.778 1
1 193 . 13 1 1 A 17 17 HIS C C 17 173.000 173.993 -0.993 1
1 194 . 13 1 1 A 17 17 HIS CA C 17 57.700 53.836 3.864 1
1 195 . 13 1 1 A 17 17 HIS CB C 17 26.500 31.617 -5.117 1
1 198 . 13 1 1 A 17 17 HIS N N 17 117.800 122.978 -5.178 1
1 199 . 13 1 1 A 18 18 ALA H H 18 9.080 8.503 0.577 1
1 200 . 13 1 1 A 18 18 ALA HA H 18 4.640 4.618 0.022 1
1 204 . 13 1 1 A 18 18 ALA CA C 18 52.100 50.669 1.431 1
1 205 . 13 1 1 A 18 18 ALA CB C 18 19.000 22.231 -3.231 1
1 206 . 13 1 1 A 18 18 ALA N N 18 127.600 127.157 0.443 1
1 207 . 13 1 1 A 19 19 PRO HA H 19 4.540 4.695 -0.155 1
1 214 . 13 1 1 A 19 19 PRO C C 19 177.000 175.722 1.278 1
1 215 . 13 1 1 A 19 19 PRO CA C 19 63.300 62.526 0.774 1
1 216 . 13 1 1 A 19 19 PRO CB C 19 32.500 32.435 0.065 1
1 219 . 13 1 1 A 20 20 LEU H H 20 8.450 8.162 0.288 1
1 220 . 13 1 1 A 20 20 LEU HA H 20 5.050 4.948 0.102 1
1 230 . 13 1 1 A 20 20 LEU C C 20 176.700 175.472 1.228 1
1 231 . 13 1 1 A 20 20 LEU CA C 20 53.300 53.280 0.020 1
1 232 . 13 1 1 A 20 20 LEU CB C 20 44.800 44.774 0.026 1
1 236 . 13 1 1 A 20 20 LEU N N 20 121.400 121.761 -0.361 1
1 237 . 13 1 1 A 21 21 GLU H H 21 9.030 9.163 -0.133 1
1 238 . 13 1 1 A 21 21 GLU HA H 21 4.660 5.000 -0.340 1
1 243 . 13 1 1 A 21 21 GLU C C 21 175.100 176.047 -0.947 1
1 244 . 13 1 1 A 21 21 GLU CA C 21 54.100 54.620 -0.520 1
1 245 . 13 1 1 A 21 21 GLU CB C 21 33.000 32.612 0.388 1
1 247 . 13 1 1 A 21 21 GLU N N 21 120.700 122.871 -2.171 1
1 248 . 13 1 1 A 22 22 GLU H H 22 8.950 8.960 -0.010 1
1 249 . 13 1 1 A 22 22 GLU HA H 22 4.630 4.698 -0.068 1
1 254 . 13 1 1 A 22 22 GLU C C 22 176.000 175.545 0.455 1
1 255 . 13 1 1 A 22 22 GLU CA C 22 56.800 56.912 -0.112 1
1 256 . 13 1 1 A 22 22 GLU CB C 22 30.200 30.662 -0.462 1
1 258 . 13 1 1 A 22 22 GLU N N 22 125.900 128.761 -2.861 1
1 259 . 13 1 1 A 23 23 ARG H H 23 8.830 8.852 -0.022 1
1 260 . 13 1 1 A 23 23 ARG HA H 23 4.500 4.883 -0.383 1
1 267 . 13 1 1 A 23 23 ARG C C 23 175.000 174.240 0.760 1
1 268 . 13 1 1 A 23 23 ARG CA C 23 55.600 54.060 1.540 1
1 269 . 13 1 1 A 23 23 ARG CB C 23 32.100 34.065 -1.965 1
1 272 . 13 1 1 A 23 23 ARG N N 23 128.000 127.679 0.321 1
1 273 . 13 1 1 A 24 24 ASP H H 24 9.150 8.652 0.498 1
1 274 . 13 1 1 A 24 24 ASP HA H 24 4.180 4.281 -0.101 1
1 277 . 13 1 1 A 24 24 ASP C C 24 174.900 176.798 -1.898 1
1 278 . 13 1 1 A 24 24 ASP CA C 24 56.600 55.324 1.276 1
1 279 . 13 1 1 A 24 24 ASP CB C 24 39.600 40.837 -1.237 1
1 280 . 13 1 1 A 24 24 ASP N N 24 126.000 124.595 1.405 1
1 281 . 13 1 1 A 25 25 ALA H H 25 8.480 8.730 -0.250 1
1 282 . 13 1 1 A 25 25 ALA HA H 25 4.370 3.881 0.489 1
1 286 . 13 1 1 A 25 25 ALA C C 25 175.700 175.941 -0.241 1
1 287 . 13 1 1 A 25 25 ALA CA C 25 52.600 53.249 -0.649 1
1 288 . 13 1 1 A 25 25 ALA CB C 25 18.100 17.596 0.504 1
1 289 . 13 1 1 A 25 25 ALA N N 25 122.800 124.793 -1.993 1
1 290 . 13 1 1 A 26 26 GLU H H 26 7.770 8.306 -0.536 1
1 291 . 13 1 1 A 26 26 GLU HA H 26 5.100 4.828 0.272 1
1 296 . 13 1 1 A 26 26 GLU C C 26 174.600 174.160 0.440 1
1 297 . 13 1 1 A 26 26 GLU CA C 26 54.700 55.541 -0.841 1
1 298 . 13 1 1 A 26 26 GLU CB C 26 35.100 33.134 1.966 1
1 300 . 13 1 1 A 26 26 GLU N N 26 116.600 115.621 0.979 1
1 301 . 13 1 1 A 27 27 LEU H H 27 9.190 9.252 -0.062 1
1 302 . 13 1 1 A 27 27 LEU HA H 27 5.010 5.395 -0.385 1
1 312 . 13 1 1 A 27 27 LEU C C 27 175.500 175.861 -0.361 1
1 313 . 13 1 1 A 27 27 LEU CA C 27 53.200 53.252 -0.052 1
1 314 . 13 1 1 A 27 27 LEU CB C 27 44.400 44.743 -0.343 1
1 318 . 13 1 1 A 27 27 LEU N N 27 120.900 125.465 -4.565 1
1 319 . 13 1 1 A 28 28 ILE H H 28 9.480 9.567 -0.087 1
1 320 . 13 1 1 A 28 28 ILE HA H 28 4.770 4.673 0.097 1
1 330 . 13 1 1 A 28 28 ILE C C 28 175.300 175.700 -0.400 1
1 331 . 13 1 1 A 28 28 ILE CA C 28 60.000 59.867 0.133 1
1 332 . 13 1 1 A 28 28 ILE CB C 28 39.700 40.357 -0.657 1
1 336 . 13 1 1 A 28 28 ILE N N 28 123.300 123.355 -0.055 1
1 337 . 13 1 1 A 29 29 CYS H H 29 9.160 9.389 -0.229 1
1 338 . 13 1 1 A 29 29 CYS HA H 29 4.250 4.598 -0.348 1
1 341 . 13 1 1 A 29 29 CYS C C 29 176.700 174.906 1.794 1
1 342 . 13 1 1 A 29 29 CYS CA C 29 62.000 59.685 2.315 1
1 343 . 13 1 1 A 29 29 CYS CB C 29 30.400 27.743 2.657 1
1 344 . 13 1 1 A 29 29 CYS N N 29 130.800 126.249 4.551 1
1 345 . 13 1 1 A 30 30 THR H H 30 7.840 9.301 -1.461 1
1 346 . 13 1 1 A 30 30 THR HA H 30 4.280 4.689 -0.409 1
1 351 . 13 1 1 A 30 30 THR C C 30 175.300 174.501 0.799 1
1 352 . 13 1 1 A 30 30 THR CA C 30 62.400 61.835 0.565 1
1 353 . 13 1 1 A 30 30 THR CB C 30 70.500 68.442 2.058 1
1 355 . 13 1 1 A 30 30 THR N N 30 118.800 119.858 -1.058 1
1 356 . 13 1 1 A 31 31 GLY H H 31 10.310 8.023 2.287 1
1 357 . 13 1 1 A 31 31 GLY HA2 H 31 3.710 4.079 -0.369 1
1 358 . 13 1 1 A 31 31 GLY HA3 H 31 3.960 4.084 -0.124 1
1 359 . 13 1 1 A 31 31 GLY C C 31 175.900 174.918 0.982 1
1 360 . 13 1 1 A 31 31 GLY CA C 31 45.300 44.352 0.948 1
1 361 . 13 1 1 A 31 31 GLY N N 31 120.100 110.134 9.966 1
1 362 . 13 1 1 A 32 32 GLN H H 32 8.940 8.794 0.146 1
1 363 . 13 1 1 A 32 32 GLN HA H 32 3.990 3.948 0.042 1
1 370 . 13 1 1 A 32 32 GLN C C 32 176.400 176.744 -0.344 1
1 371 . 13 1 1 A 32 32 GLN CA C 32 58.200 58.813 -0.613 1
1 372 . 13 1 1 A 32 32 GLN CB C 32 28.800 28.388 0.412 1
1 375 . 13 1 1 A 32 32 GLN N N 32 127.200 121.153 6.047 1
1 377 . 13 1 1 A 33 33 ASP H H 33 8.560 7.960 0.600 1
1 378 . 13 1 1 A 33 33 ASP HA H 33 4.610 4.699 -0.089 1
1 381 . 13 1 1 A 33 33 ASP C C 33 174.500 175.478 -0.978 1
1 382 . 13 1 1 A 33 33 ASP CA C 33 54.000 54.676 -0.676 1
1 383 . 13 1 1 A 33 33 ASP CB C 33 40.400 41.440 -1.040 1
1 384 . 13 1 1 A 33 33 ASP N N 33 117.200 117.077 0.123 1
1 385 . 13 1 1 A 34 34 CYS H H 34 7.330 7.787 -0.457 1
1 386 . 13 1 1 A 34 34 CYS HA H 34 4.480 4.976 -0.496 1
1 389 . 13 1 1 A 34 34 CYS C C 34 175.500 174.315 1.185 1
1 390 . 13 1 1 A 34 34 CYS CA C 34 60.100 57.761 2.339 1
1 391 . 13 1 1 A 34 34 CYS CB C 34 31.200 30.988 0.212 1
1 392 . 13 1 1 A 34 34 CYS N N 34 123.800 114.812 8.988 1
1 393 . 13 1 1 A 35 35 GLY H H 35 8.020 8.711 -0.691 1
1 394 . 13 1 1 A 35 35 GLY HA2 H 35 3.940 4.265 -0.325 1
1 395 . 13 1 1 A 35 35 GLY HA3 H 35 4.240 4.282 -0.042 1
1 396 . 13 1 1 A 35 35 GLY C C 35 173.900 174.460 -0.560 1
1 397 . 13 1 1 A 35 35 GLY CA C 35 46.900 45.653 1.247 1
1 398 . 13 1 1 A 35 35 GLY N N 35 108.700 110.818 -2.118 1
1 399 . 13 1 1 A 36 36 LEU H H 36 7.430 7.335 0.095 1
1 400 . 13 1 1 A 36 36 LEU HA H 36 3.930 4.232 -0.302 1
1 410 . 13 1 1 A 36 36 LEU C C 36 173.800 175.900 -2.100 1
1 411 . 13 1 1 A 36 36 LEU CA C 36 56.400 55.213 1.187 1
1 412 . 13 1 1 A 36 36 LEU CB C 36 43.300 42.238 1.062 1
1 416 . 13 1 1 A 36 36 LEU N N 36 121.100 120.734 0.366 1
1 417 . 13 1 1 A 37 37 ALA H H 37 7.990 8.491 -0.501 1
1 418 . 13 1 1 A 37 37 ALA HA H 37 5.240 5.339 -0.099 1
1 422 . 13 1 1 A 37 37 ALA C C 37 176.700 174.655 2.045 1
1 423 . 13 1 1 A 37 37 ALA CA C 37 49.800 50.066 -0.266 1
1 424 . 13 1 1 A 37 37 ALA CB C 37 22.200 22.432 -0.232 1
1 425 . 13 1 1 A 37 37 ALA N N 37 119.900 121.552 -1.652 1
1 426 . 13 1 1 A 38 38 TYR H H 38 9.740 9.398 0.342 1
1 427 . 13 1 1 A 38 38 TYR HA H 38 4.730 4.965 -0.235 1
1 434 . 13 1 1 A 38 38 TYR CA C 38 55.900 55.284 0.616 1
1 435 . 13 1 1 A 38 38 TYR CB C 38 38.800 40.883 -2.083 1
1 440 . 13 1 1 A 38 38 TYR N N 38 125.300 119.966 5.334 1
1 441 . 13 1 1 A 39 39 PRO HA H 39 4.700 4.683 0.017 1
1 448 . 13 1 1 A 39 39 PRO C C 39 175.100 175.674 -0.574 1
1 449 . 13 1 1 A 39 39 PRO CA C 39 63.100 62.333 0.767 1
1 450 . 13 1 1 A 39 39 PRO CB C 39 32.900 32.587 0.313 1
1 453 . 13 1 1 A 40 40 VAL H H 40 7.830 8.399 -0.569 1
1 454 . 13 1 1 A 40 40 VAL HA H 40 4.190 4.359 -0.169 1
1 462 . 13 1 1 A 40 40 VAL C C 40 176.300 174.902 1.398 1
1 463 . 13 1 1 A 40 40 VAL CA C 40 62.100 61.671 0.429 1
1 464 . 13 1 1 A 40 40 VAL CB C 40 32.300 32.717 -0.417 1
1 467 . 13 1 1 A 40 40 VAL N N 40 119.300 121.466 -2.166 1
1 468 . 13 1 1 A 41 41 ARG H H 41 8.410 9.301 -0.891 1
1 469 . 13 1 1 A 41 41 ARG HA H 41 4.680 4.662 0.018 1
1 476 . 13 1 1 A 41 41 ARG C C 41 175.900 174.741 1.159 1
1 477 . 13 1 1 A 41 41 ARG CA C 41 55.100 55.603 -0.503 1
1 478 . 13 1 1 A 41 41 ARG CB C 41 32.200 33.070 -0.870 1
1 481 . 13 1 1 A 41 41 ARG N N 41 127.400 126.169 1.231 1
1 482 . 13 1 1 A 42 42 ASP H H 42 9.440 9.341 0.099 1
1 483 . 13 1 1 A 42 42 ASP HA H 42 4.270 4.399 -0.129 1
1 486 . 13 1 1 A 42 42 ASP C C 42 175.800 176.281 -0.481 1
1 487 . 13 1 1 A 42 42 ASP CA C 42 55.400 55.366 0.034 1
1 488 . 13 1 1 A 42 42 ASP CB C 42 39.700 39.550 0.150 1
1 489 . 13 1 1 A 42 42 ASP N N 42 127.200 126.600 0.600 1
1 490 . 13 1 1 A 43 43 GLY H H 43 8.390 8.712 -0.322 1
1 491 . 13 1 1 A 43 43 GLY HA2 H 43 3.420 3.860 -0.440 1
1 492 . 13 1 1 A 43 43 GLY HA3 H 43 4.100 3.861 0.239 1
1 493 . 13 1 1 A 43 43 GLY C C 43 173.400 173.565 -0.165 1
1 494 . 13 1 1 A 43 43 GLY CA C 43 45.200 45.518 -0.318 1
1 495 . 13 1 1 A 43 43 GLY N N 43 102.300 104.618 -2.318 1
1 496 . 13 1 1 A 44 44 ILE H H 44 7.760 8.067 -0.307 1
1 497 . 13 1 1 A 44 44 ILE HA H 44 4.610 4.844 -0.234 1
1 507 . 13 1 1 A 44 44 ILE CA C 44 57.300 56.878 0.422 1
1 508 . 13 1 1 A 44 44 ILE CB C 44 39.500 40.444 -0.944 1
1 512 . 13 1 1 A 44 44 ILE N N 44 121.900 115.977 5.923 1
1 513 . 13 1 1 A 45 45 PRO HA H 45 4.570 4.591 -0.021 1
1 520 . 13 1 1 A 45 45 PRO C C 45 175.900 175.976 -0.076 1
1 521 . 13 1 1 A 45 45 PRO CA C 45 62.600 62.700 -0.100 1
1 522 . 13 1 1 A 45 45 PRO CB C 45 32.400 32.376 0.024 1
1 525 . 13 1 1 A 46 46 VAL H H 46 8.790 8.525 0.265 1
1 526 . 13 1 1 A 46 46 VAL HA H 46 4.050 4.180 -0.130 1
1 534 . 13 1 1 A 46 46 VAL C C 46 175.200 175.452 -0.252 1
1 535 . 13 1 1 A 46 46 VAL CA C 46 61.700 61.873 -0.173 1
1 536 . 13 1 1 A 46 46 VAL CB C 46 30.800 30.744 0.056 1
1 539 . 13 1 1 A 46 46 VAL N N 46 127.200 122.500 4.700 1
1 540 . 13 1 1 A 47 47 LEU H H 47 8.100 8.311 -0.211 1
1 541 . 13 1 1 A 47 47 LEU HA H 47 4.210 4.374 -0.164 1
1 551 . 13 1 1 A 47 47 LEU C C 47 175.600 175.039 0.561 1
1 552 . 13 1 1 A 47 47 LEU CA C 47 52.700 54.388 -1.688 1
1 553 . 13 1 1 A 47 47 LEU CB C 47 39.400 40.701 -1.301 1
1 557 . 13 1 1 A 47 47 LEU N N 47 127.100 129.234 -2.134 1
1 558 . 13 1 1 A 48 48 LEU H H 48 7.370 7.350 0.020 1
1 559 . 13 1 1 A 48 48 LEU HA H 48 4.830 4.675 0.155 1
1 569 . 13 1 1 A 48 48 LEU C C 48 177.900 177.684 0.216 1
1 570 . 13 1 1 A 48 48 LEU CA C 48 52.800 53.575 -0.775 1
1 571 . 13 1 1 A 48 48 LEU CB C 48 44.200 43.826 0.374 1
1 575 . 13 1 1 A 48 48 LEU N N 48 121.200 121.384 -0.184 1
1 576 . 13 1 1 A 49 49 VAL H H 49 9.020 8.860 0.160 1
1 577 . 13 1 1 A 49 49 VAL HA H 49 3.790 3.845 -0.055 1
1 585 . 13 1 1 A 49 49 VAL C C 49 178.100 176.906 1.194 1
1 586 . 13 1 1 A 49 49 VAL CA C 49 66.700 65.271 1.429 1
1 587 . 13 1 1 A 49 49 VAL CB C 49 31.900 31.587 0.313 1
1 590 . 13 1 1 A 49 49 VAL N N 49 124.600 124.422 0.178 1
1 591 . 13 1 1 A 50 50 ASP H H 50 8.750 8.317 0.433 1
1 592 . 13 1 1 A 50 50 ASP HA H 50 4.490 4.393 0.097 1
1 595 . 13 1 1 A 50 50 ASP C C 50 176.900 178.257 -1.357 1
1 596 . 13 1 1 A 50 50 ASP CA C 50 56.200 57.566 -1.366 1
1 597 . 13 1 1 A 50 50 ASP CB C 50 40.400 40.284 0.116 1
1 598 . 13 1 1 A 50 50 ASP N N 50 117.300 121.674 -4.374 1
1 599 . 13 1 1 A 51 51 GLU H H 51 7.500 7.576 -0.076 1
1 600 . 13 1 1 A 51 51 GLU HA H 51 4.470 4.423 0.047 1
1 605 . 13 1 1 A 51 51 GLU C C 51 175.300 176.346 -1.046 1
1 606 . 13 1 1 A 51 51 GLU CA C 51 55.600 56.281 -0.681 1
1 607 . 13 1 1 A 51 51 GLU CB C 51 30.300 30.397 -0.097 1
1 609 . 13 1 1 A 51 51 GLU N N 51 116.100 115.547 0.553 1
1 610 . 13 1 1 A 52 52 ALA H H 52 7.370 7.103 0.267 1
1 611 . 13 1 1 A 52 52 ALA HA H 52 4.360 4.146 0.214 1
1 615 . 13 1 1 A 52 52 ALA C C 52 177.100 177.431 -0.331 1
1 616 . 13 1 1 A 52 52 ALA CA C 52 51.900 52.898 -0.998 1
1 617 . 13 1 1 A 52 52 ALA CB C 52 20.900 19.144 1.756 1
1 618 . 13 1 1 A 52 52 ALA N N 52 122.000 123.484 -1.484 1
1 619 . 13 1 1 A 53 53 ARG H H 53 8.880 9.122 -0.242 1
1 620 . 13 1 1 A 53 53 ARG HA H 53 4.560 4.913 -0.353 1
1 628 . 13 1 1 A 53 53 ARG C C 53 175.800 174.921 0.879 1
1 629 . 13 1 1 A 53 53 ARG CA C 53 54.900 53.593 1.307 1
1 630 . 13 1 1 A 53 53 ARG CB C 53 32.500 33.922 -1.422 1
1 633 . 13 1 1 A 53 53 ARG N N 53 121.500 117.533 3.967 1
1 635 . 13 1 1 A 54 54 ARG H H 54 8.780 8.185 0.595 1
1 636 . 13 1 1 A 54 54 ARG HA H 54 4.560 4.598 -0.038 1
1 643 . 13 1 1 A 54 54 ARG CA C 54 54.000 54.220 -0.220 1
1 644 . 13 1 1 A 54 54 ARG CB C 54 30.100 29.763 0.337 1
1 647 . 13 1 1 A 54 54 ARG N N 54 127.200 120.094 7.106 1
1 648 . 13 1 1 A 55 55 PRO HA H 55 4.380 4.481 -0.101 1
1 655 . 13 1 1 A 55 55 PRO C C 55 176.000 176.288 -0.288 1
1 656 . 13 1 1 A 55 55 PRO CA C 55 63.500 62.828 0.672 1
1 657 . 13 1 1 A 55 55 PRO CB C 55 32.000 32.008 -0.008 1
1 3 . 14 1 1 A 2 2 PRO HA H 2 4.460 4.462 -0.002 1
1 10 . 14 1 1 A 2 2 PRO C C 2 176.800 176.632 0.168 1
1 11 . 14 1 1 A 2 2 PRO CA C 2 63.100 62.612 0.488 1
1 12 . 14 1 1 A 2 2 PRO CB C 2 32.100 32.621 -0.521 1
1 15 . 14 1 1 A 3 3 LEU H H 3 8.520 8.677 -0.157 1
1 16 . 14 1 1 A 3 3 LEU HA H 3 4.260 3.823 0.437 1
1 26 . 14 1 1 A 3 3 LEU C C 3 177.700 175.897 1.803 1
1 27 . 14 1 1 A 3 3 LEU CA C 3 55.400 56.148 -0.748 1
1 28 . 14 1 1 A 3 3 LEU CB C 3 42.500 40.423 2.077 1
1 32 . 14 1 1 A 3 3 LEU N N 3 122.400 117.128 5.272 1
1 33 . 14 1 1 A 4 4 GLU H H 4 8.430 7.815 0.615 1
1 34 . 14 1 1 A 4 4 GLU HA H 4 4.200 4.676 -0.476 1
1 39 . 14 1 1 A 4 4 GLU C C 4 176.400 177.083 -0.683 1
1 40 . 14 1 1 A 4 4 GLU CA C 4 56.600 55.651 0.949 1
1 41 . 14 1 1 A 4 4 GLU CB C 4 30.200 29.875 0.325 1
1 43 . 14 1 1 A 4 4 GLU N N 4 122.100 114.667 7.433 1
1 44 . 14 1 1 A 5 5 ALA H H 5 8.420 7.728 0.692 1
1 45 . 14 1 1 A 5 5 ALA HA H 5 4.210 4.279 -0.069 1
1 49 . 14 1 1 A 5 5 ALA C C 5 178.700 178.152 0.548 1
1 50 . 14 1 1 A 5 5 ALA CA C 5 53.500 52.081 1.419 1
1 51 . 14 1 1 A 5 5 ALA CB C 5 19.000 19.470 -0.470 1
1 52 . 14 1 1 A 5 5 ALA N N 5 125.900 123.404 2.496 1
1 53 . 14 1 1 A 6 6 GLY H H 6 8.530 8.047 0.483 1
1 54 . 14 1 1 A 6 6 GLY HA2 H 6 3.910 3.971 -0.061 1
1 55 . 14 1 1 A 6 6 GLY HA3 H 6 3.950 3.972 -0.022 1
1 56 . 14 1 1 A 6 6 GLY C C 6 174.700 174.277 0.423 1
1 57 . 14 1 1 A 6 6 GLY CA C 6 45.600 45.272 0.328 1
1 58 . 14 1 1 A 6 6 GLY N N 6 108.100 107.246 0.854 1
1 59 . 14 1 1 A 7 7 LEU H H 7 7.850 8.195 -0.345 1
1 60 . 14 1 1 A 7 7 LEU HA H 7 4.300 4.411 -0.111 1
1 70 . 14 1 1 A 7 7 LEU C C 7 177.700 175.215 2.485 1
1 71 . 14 1 1 A 7 7 LEU CA C 7 55.800 55.220 0.580 1
1 72 . 14 1 1 A 7 7 LEU CB C 7 42.500 41.294 1.206 1
1 76 . 14 1 1 A 7 7 LEU N N 7 121.300 122.557 -1.257 1
1 77 . 14 1 1 A 8 8 LEU H H 8 8.190 8.368 -0.178 1
1 78 . 14 1 1 A 8 8 LEU HA H 8 4.160 4.419 -0.259 1
1 88 . 14 1 1 A 8 8 LEU C C 8 177.700 177.056 0.644 1
1 89 . 14 1 1 A 8 8 LEU CA C 8 56.100 55.541 0.559 1
1 90 . 14 1 1 A 8 8 LEU CB C 8 42.100 43.212 -1.112 1
1 94 . 14 1 1 A 8 8 LEU N N 8 120.600 125.936 -5.336 1
1 95 . 14 1 1 A 9 9 GLU H H 9 8.150 8.481 -0.331 1
1 96 . 14 1 1 A 9 9 GLU HA H 9 4.240 4.270 -0.030 1
1 101 . 14 1 1 A 9 9 GLU C C 9 176.400 177.301 -0.901 1
1 102 . 14 1 1 A 9 9 GLU CA C 9 57.000 57.222 -0.222 1
1 103 . 14 1 1 A 9 9 GLU CB C 9 30.200 30.076 0.124 1
1 105 . 14 1 1 A 9 9 GLU N N 9 118.800 125.491 -6.691 1
1 106 . 14 1 1 A 10 10 ILE H H 10 7.860 8.870 -1.010 1
1 107 . 14 1 1 A 10 10 ILE HA H 10 4.280 4.219 0.061 1
1 117 . 14 1 1 A 10 10 ILE C C 10 176.100 175.842 0.258 1
1 118 . 14 1 1 A 10 10 ILE CA C 10 60.800 61.619 -0.819 1
1 119 . 14 1 1 A 10 10 ILE CB C 10 38.900 37.847 1.053 1
1 123 . 14 1 1 A 10 10 ILE N N 10 118.600 124.429 -5.829 1
1 124 . 14 1 1 A 11 11 LEU H H 11 8.250 7.642 0.608 1
1 125 . 14 1 1 A 11 11 LEU HA H 11 4.380 4.646 -0.266 1
1 135 . 14 1 1 A 11 11 LEU C C 11 175.200 175.665 -0.465 1
1 136 . 14 1 1 A 11 11 LEU CA C 11 54.400 53.382 1.018 1
1 137 . 14 1 1 A 11 11 LEU CB C 11 43.400 43.724 -0.324 1
1 141 . 14 1 1 A 11 11 LEU N N 11 125.900 121.671 4.229 1
1 142 . 14 1 1 A 12 12 ALA H H 12 7.920 8.495 -0.575 1
1 143 . 14 1 1 A 12 12 ALA HA H 12 4.620 5.288 -0.668 1
1 147 . 14 1 1 A 12 12 ALA C C 12 175.700 176.360 -0.660 1
1 148 . 14 1 1 A 12 12 ALA CA C 12 50.100 50.610 -0.510 1
1 149 . 14 1 1 A 12 12 ALA CB C 12 22.000 22.535 -0.535 1
1 150 . 14 1 1 A 12 12 ALA N N 12 123.700 124.740 -1.040 1
1 151 . 14 1 1 A 13 13 CYS H H 13 9.310 8.604 0.706 1
1 152 . 14 1 1 A 13 13 CYS HA H 13 4.130 4.432 -0.302 1
1 155 . 14 1 1 A 13 13 CYS CA C 13 56.900 58.551 -1.651 1
1 156 . 14 1 1 A 13 13 CYS CB C 13 31.600 26.877 4.723 1
1 157 . 14 1 1 A 13 13 CYS N N 13 124.400 122.049 2.351 1
1 158 . 14 1 1 A 14 14 PRO HA H 14 4.340 4.477 -0.137 1
1 165 . 14 1 1 A 14 14 PRO C C 14 176.300 176.868 -0.568 1
1 166 . 14 1 1 A 14 14 PRO CA C 14 64.200 64.239 -0.039 1
1 167 . 14 1 1 A 14 14 PRO CB C 14 31.800 31.698 0.102 1
1 170 . 14 1 1 A 15 15 ALA H H 15 8.690 8.053 0.637 1
1 171 . 14 1 1 A 15 15 ALA HA H 15 4.340 4.571 -0.231 1
1 175 . 14 1 1 A 15 15 ALA C C 15 178.300 178.591 -0.291 1
1 176 . 14 1 1 A 15 15 ALA CA C 15 54.300 53.353 0.947 1
1 177 . 14 1 1 A 15 15 ALA CB C 15 20.100 21.124 -1.024 1
1 178 . 14 1 1 A 15 15 ALA N N 15 123.400 119.313 4.087 1
1 179 . 14 1 1 A 16 16 CYS H H 16 8.290 7.983 0.307 1
1 180 . 14 1 1 A 16 16 CYS HA H 16 4.860 4.454 0.406 1
1 183 . 14 1 1 A 16 16 CYS C C 16 176.700 175.179 1.521 1
1 184 . 14 1 1 A 16 16 CYS CA C 16 58.800 61.209 -2.409 1
1 185 . 14 1 1 A 16 16 CYS CB C 16 32.600 28.206 4.394 1
1 186 . 14 1 1 A 16 16 CYS N N 16 117.000 116.424 0.576 1
1 187 . 14 1 1 A 17 17 HIS H H 17 8.300 8.033 0.267 1
1 188 . 14 1 1 A 17 17 HIS HA H 17 4.440 4.492 -0.052 1
1 193 . 14 1 1 A 17 17 HIS C C 17 173.000 174.579 -1.579 1
1 194 . 14 1 1 A 17 17 HIS CA C 17 57.700 57.277 0.423 1
1 195 . 14 1 1 A 17 17 HIS CB C 17 26.500 29.421 -2.921 1
1 198 . 14 1 1 A 17 17 HIS N N 17 117.800 119.944 -2.144 1
1 199 . 14 1 1 A 18 18 ALA H H 18 9.080 8.343 0.737 1
1 200 . 14 1 1 A 18 18 ALA HA H 18 4.640 4.309 0.331 1
1 204 . 14 1 1 A 18 18 ALA CA C 18 52.100 51.648 0.452 1
1 205 . 14 1 1 A 18 18 ALA CB C 18 19.000 19.862 -0.862 1
1 206 . 14 1 1 A 18 18 ALA N N 18 127.600 124.916 2.684 1
1 207 . 14 1 1 A 19 19 PRO HA H 19 4.540 4.654 -0.114 1
1 214 . 14 1 1 A 19 19 PRO C C 19 177.000 175.699 1.301 1
1 215 . 14 1 1 A 19 19 PRO CA C 19 63.300 62.352 0.948 1
1 216 . 14 1 1 A 19 19 PRO CB C 19 32.500 32.635 -0.135 1
1 219 . 14 1 1 A 20 20 LEU H H 20 8.450 8.475 -0.025 1
1 220 . 14 1 1 A 20 20 LEU HA H 20 5.050 5.050 0.000 1
1 230 . 14 1 1 A 20 20 LEU C C 20 176.700 175.299 1.401 1
1 231 . 14 1 1 A 20 20 LEU CA C 20 53.300 53.141 0.159 1
1 232 . 14 1 1 A 20 20 LEU CB C 20 44.800 44.738 0.062 1
1 236 . 14 1 1 A 20 20 LEU N N 20 121.400 121.273 0.127 1
1 237 . 14 1 1 A 21 21 GLU H H 21 9.030 9.335 -0.305 1
1 238 . 14 1 1 A 21 21 GLU HA H 21 4.660 5.145 -0.485 1
1 243 . 14 1 1 A 21 21 GLU C C 21 175.100 175.285 -0.185 1
1 244 . 14 1 1 A 21 21 GLU CA C 21 54.100 54.458 -0.358 1
1 245 . 14 1 1 A 21 21 GLU CB C 21 33.000 33.467 -0.467 1
1 247 . 14 1 1 A 21 21 GLU N N 21 120.700 122.673 -1.973 1
1 248 . 14 1 1 A 22 22 GLU H H 22 8.950 8.719 0.231 1
1 249 . 14 1 1 A 22 22 GLU HA H 22 4.630 4.731 -0.101 1
1 254 . 14 1 1 A 22 22 GLU C C 22 176.000 175.459 0.541 1
1 255 . 14 1 1 A 22 22 GLU CA C 22 56.800 56.532 0.268 1
1 256 . 14 1 1 A 22 22 GLU CB C 22 30.200 30.293 -0.093 1
1 258 . 14 1 1 A 22 22 GLU N N 22 125.900 126.276 -0.376 1
1 259 . 14 1 1 A 23 23 ARG H H 23 8.830 9.078 -0.248 1
1 260 . 14 1 1 A 23 23 ARG HA H 23 4.500 4.610 -0.110 1
1 267 . 14 1 1 A 23 23 ARG C C 23 175.000 175.205 -0.205 1
1 268 . 14 1 1 A 23 23 ARG CA C 23 55.600 55.307 0.293 1
1 269 . 14 1 1 A 23 23 ARG CB C 23 32.100 32.309 -0.209 1
1 272 . 14 1 1 A 23 23 ARG N N 23 128.000 124.550 3.450 1
1 273 . 14 1 1 A 24 24 ASP H H 24 9.150 9.046 0.104 1
1 274 . 14 1 1 A 24 24 ASP HA H 24 4.180 4.249 -0.069 1
1 277 . 14 1 1 A 24 24 ASP C C 24 174.900 175.641 -0.741 1
1 278 . 14 1 1 A 24 24 ASP CA C 24 56.600 56.484 0.116 1
1 279 . 14 1 1 A 24 24 ASP CB C 24 39.600 39.611 -0.011 1
1 280 . 14 1 1 A 24 24 ASP N N 24 126.000 125.556 0.444 1
1 281 . 14 1 1 A 25 25 ALA H H 25 8.480 8.396 0.084 1
1 282 . 14 1 1 A 25 25 ALA HA H 25 4.370 4.523 -0.153 1
1 286 . 14 1 1 A 25 25 ALA C C 25 175.700 176.626 -0.926 1
1 287 . 14 1 1 A 25 25 ALA CA C 25 52.600 51.408 1.192 1
1 288 . 14 1 1 A 25 25 ALA CB C 25 18.100 19.310 -1.210 1
1 289 . 14 1 1 A 25 25 ALA N N 25 122.800 125.282 -2.482 1
1 290 . 14 1 1 A 26 26 GLU H H 26 7.770 8.400 -0.630 1
1 291 . 14 1 1 A 26 26 GLU HA H 26 5.100 5.012 0.088 1
1 296 . 14 1 1 A 26 26 GLU C C 26 174.600 174.429 0.171 1
1 297 . 14 1 1 A 26 26 GLU CA C 26 54.700 54.651 0.049 1
1 298 . 14 1 1 A 26 26 GLU CB C 26 35.100 33.237 1.863 1
1 300 . 14 1 1 A 26 26 GLU N N 26 116.600 116.352 0.248 1
1 301 . 14 1 1 A 27 27 LEU H H 27 9.190 9.381 -0.191 1
1 302 . 14 1 1 A 27 27 LEU HA H 27 5.010 5.182 -0.172 1
1 312 . 14 1 1 A 27 27 LEU C C 27 175.500 175.400 0.100 1
1 313 . 14 1 1 A 27 27 LEU CA C 27 53.200 53.399 -0.199 1
1 314 . 14 1 1 A 27 27 LEU CB C 27 44.400 43.683 0.717 1
1 318 . 14 1 1 A 27 27 LEU N N 27 120.900 123.013 -2.113 1
1 319 . 14 1 1 A 28 28 ILE H H 28 9.480 9.686 -0.206 1
1 320 . 14 1 1 A 28 28 ILE HA H 28 4.770 4.522 0.248 1
1 330 . 14 1 1 A 28 28 ILE C C 28 175.300 175.389 -0.089 1
1 331 . 14 1 1 A 28 28 ILE CA C 28 60.000 59.808 0.192 1
1 332 . 14 1 1 A 28 28 ILE CB C 28 39.700 39.780 -0.080 1
1 336 . 14 1 1 A 28 28 ILE N N 28 123.300 124.719 -1.419 1
1 337 . 14 1 1 A 29 29 CYS H H 29 9.160 9.060 0.100 1
1 338 . 14 1 1 A 29 29 CYS HA H 29 4.250 4.580 -0.330 1
1 341 . 14 1 1 A 29 29 CYS C C 29 176.700 174.650 2.050 1
1 342 . 14 1 1 A 29 29 CYS CA C 29 62.000 59.783 2.217 1
1 343 . 14 1 1 A 29 29 CYS CB C 29 30.400 28.289 2.111 1
1 344 . 14 1 1 A 29 29 CYS N N 29 130.800 127.221 3.579 1
1 345 . 14 1 1 A 30 30 THR H H 30 7.840 9.034 -1.194 1
1 346 . 14 1 1 A 30 30 THR HA H 30 4.280 4.582 -0.302 1
1 351 . 14 1 1 A 30 30 THR C C 30 175.300 174.470 0.830 1
1 352 . 14 1 1 A 30 30 THR CA C 30 62.400 61.600 0.800 1
1 353 . 14 1 1 A 30 30 THR CB C 30 70.500 70.469 0.031 1
1 355 . 14 1 1 A 30 30 THR N N 30 118.800 122.661 -3.861 1
1 356 . 14 1 1 A 31 31 GLY H H 31 10.310 8.402 1.908 1
1 357 . 14 1 1 A 31 31 GLY HA2 H 31 3.710 4.219 -0.509 1
1 358 . 14 1 1 A 31 31 GLY HA3 H 31 3.960 4.225 -0.265 1
1 359 . 14 1 1 A 31 31 GLY C C 31 175.900 174.555 1.345 1
1 360 . 14 1 1 A 31 31 GLY CA C 31 45.300 44.112 1.188 1
1 361 . 14 1 1 A 31 31 GLY N N 31 120.100 110.865 9.235 1
1 362 . 14 1 1 A 32 32 GLN H H 32 8.940 8.793 0.147 1
1 363 . 14 1 1 A 32 32 GLN HA H 32 3.990 4.058 -0.068 1
1 370 . 14 1 1 A 32 32 GLN C C 32 176.400 176.977 -0.577 1
1 371 . 14 1 1 A 32 32 GLN CA C 32 58.200 58.452 -0.252 1
1 372 . 14 1 1 A 32 32 GLN CB C 32 28.800 29.005 -0.205 1
1 375 . 14 1 1 A 32 32 GLN N N 32 127.200 120.302 6.898 1
1 377 . 14 1 1 A 33 33 ASP H H 33 8.560 7.901 0.659 1
1 378 . 14 1 1 A 33 33 ASP HA H 33 4.610 4.863 -0.253 1
1 381 . 14 1 1 A 33 33 ASP C C 33 174.500 177.250 -2.750 1
1 382 . 14 1 1 A 33 33 ASP CA C 33 54.000 52.858 1.142 1
1 383 . 14 1 1 A 33 33 ASP CB C 33 40.400 41.139 -0.739 1
1 384 . 14 1 1 A 33 33 ASP N N 33 117.200 117.685 -0.485 1
1 385 . 14 1 1 A 34 34 CYS H H 34 7.330 7.892 -0.562 1
1 386 . 14 1 1 A 34 34 CYS HA H 34 4.480 4.186 0.294 1
1 389 . 14 1 1 A 34 34 CYS C C 34 175.500 175.643 -0.143 1
1 390 . 14 1 1 A 34 34 CYS CA C 34 60.100 61.343 -1.243 1
1 391 . 14 1 1 A 34 34 CYS CB C 34 31.200 28.050 3.150 1
1 392 . 14 1 1 A 34 34 CYS N N 34 123.800 119.131 4.669 1
1 393 . 14 1 1 A 35 35 GLY H H 35 8.020 7.722 0.298 1
1 394 . 14 1 1 A 35 35 GLY HA2 H 35 3.940 3.865 0.075 1
1 395 . 14 1 1 A 35 35 GLY HA3 H 35 4.240 3.870 0.370 1
1 396 . 14 1 1 A 35 35 GLY C C 35 173.900 173.895 0.005 1
1 397 . 14 1 1 A 35 35 GLY CA C 35 46.900 46.722 0.178 1
1 398 . 14 1 1 A 35 35 GLY N N 35 108.700 107.981 0.719 1
1 399 . 14 1 1 A 36 36 LEU H H 36 7.430 8.573 -1.143 1
1 400 . 14 1 1 A 36 36 LEU HA H 36 3.930 3.922 0.008 1
1 410 . 14 1 1 A 36 36 LEU C C 36 173.800 175.720 -1.920 1
1 411 . 14 1 1 A 36 36 LEU CA C 36 56.400 55.568 0.832 1
1 412 . 14 1 1 A 36 36 LEU CB C 36 43.300 40.842 2.458 1
1 416 . 14 1 1 A 36 36 LEU N N 36 121.100 124.086 -2.986 1
1 417 . 14 1 1 A 37 37 ALA H H 37 7.990 9.089 -1.099 1
1 418 . 14 1 1 A 37 37 ALA HA H 37 5.240 4.893 0.347 1
1 422 . 14 1 1 A 37 37 ALA C C 37 176.700 175.155 1.545 1
1 423 . 14 1 1 A 37 37 ALA CA C 37 49.800 49.761 0.039 1
1 424 . 14 1 1 A 37 37 ALA CB C 37 22.200 21.172 1.028 1
1 425 . 14 1 1 A 37 37 ALA N N 37 119.900 127.057 -7.157 1
1 426 . 14 1 1 A 38 38 TYR H H 38 9.740 9.009 0.731 1
1 427 . 14 1 1 A 38 38 TYR HA H 38 4.730 5.065 -0.335 1
1 434 . 14 1 1 A 38 38 TYR CA C 38 55.900 55.162 0.738 1
1 435 . 14 1 1 A 38 38 TYR CB C 38 38.800 39.544 -0.744 1
1 440 . 14 1 1 A 38 38 TYR N N 38 125.300 120.890 4.410 1
1 441 . 14 1 1 A 39 39 PRO HA H 39 4.700 4.715 -0.015 1
1 448 . 14 1 1 A 39 39 PRO C C 39 175.100 175.548 -0.448 1
1 449 . 14 1 1 A 39 39 PRO CA C 39 63.100 62.318 0.782 1
1 450 . 14 1 1 A 39 39 PRO CB C 39 32.900 32.542 0.358 1
1 453 . 14 1 1 A 40 40 VAL H H 40 7.830 8.596 -0.766 1
1 454 . 14 1 1 A 40 40 VAL HA H 40 4.190 4.343 -0.153 1
1 462 . 14 1 1 A 40 40 VAL C C 40 176.300 174.611 1.689 1
1 463 . 14 1 1 A 40 40 VAL CA C 40 62.100 61.632 0.468 1
1 464 . 14 1 1 A 40 40 VAL CB C 40 32.300 32.738 -0.438 1
1 467 . 14 1 1 A 40 40 VAL N N 40 119.300 121.015 -1.715 1
1 468 . 14 1 1 A 41 41 ARG H H 41 8.410 9.168 -0.758 1
1 469 . 14 1 1 A 41 41 ARG HA H 41 4.680 4.674 0.006 1
1 476 . 14 1 1 A 41 41 ARG C C 41 175.900 174.993 0.907 1
1 477 . 14 1 1 A 41 41 ARG CA C 41 55.100 54.620 0.480 1
1 478 . 14 1 1 A 41 41 ARG CB C 41 32.200 31.839 0.361 1
1 481 . 14 1 1 A 41 41 ARG N N 41 127.400 127.978 -0.578 1
1 482 . 14 1 1 A 42 42 ASP H H 42 9.440 9.510 -0.070 1
1 483 . 14 1 1 A 42 42 ASP HA H 42 4.270 4.426 -0.156 1
1 486 . 14 1 1 A 42 42 ASP C C 42 175.800 176.272 -0.472 1
1 487 . 14 1 1 A 42 42 ASP CA C 42 55.400 55.361 0.039 1
1 488 . 14 1 1 A 42 42 ASP CB C 42 39.700 39.665 0.035 1
1 489 . 14 1 1 A 42 42 ASP N N 42 127.200 127.775 -0.575 1
1 490 . 14 1 1 A 43 43 GLY H H 43 8.390 8.572 -0.182 1
1 491 . 14 1 1 A 43 43 GLY HA2 H 43 3.420 3.815 -0.395 1
1 492 . 14 1 1 A 43 43 GLY HA3 H 43 4.100 3.816 0.284 1
1 493 . 14 1 1 A 43 43 GLY C C 43 173.400 173.716 -0.316 1
1 494 . 14 1 1 A 43 43 GLY CA C 43 45.200 45.441 -0.241 1
1 495 . 14 1 1 A 43 43 GLY N N 43 102.300 104.603 -2.303 1
1 496 . 14 1 1 A 44 44 ILE H H 44 7.760 8.214 -0.454 1
1 497 . 14 1 1 A 44 44 ILE HA H 44 4.610 4.350 0.260 1
1 507 . 14 1 1 A 44 44 ILE CA C 44 57.300 57.945 -0.645 1
1 508 . 14 1 1 A 44 44 ILE CB C 44 39.500 38.862 0.638 1
1 512 . 14 1 1 A 44 44 ILE N N 44 121.900 122.350 -0.450 1
1 513 . 14 1 1 A 45 45 PRO HA H 45 4.570 4.394 0.176 1
1 520 . 14 1 1 A 45 45 PRO C C 45 175.900 176.118 -0.218 1
1 521 . 14 1 1 A 45 45 PRO CA C 45 62.600 63.042 -0.442 1
1 522 . 14 1 1 A 45 45 PRO CB C 45 32.400 32.231 0.169 1
1 525 . 14 1 1 A 46 46 VAL H H 46 8.790 8.484 0.306 1
1 526 . 14 1 1 A 46 46 VAL HA H 46 4.050 4.170 -0.120 1
1 534 . 14 1 1 A 46 46 VAL C C 46 175.200 175.724 -0.524 1
1 535 . 14 1 1 A 46 46 VAL CA C 46 61.700 61.782 -0.082 1
1 536 . 14 1 1 A 46 46 VAL CB C 46 30.800 30.968 -0.168 1
1 539 . 14 1 1 A 46 46 VAL N N 46 127.200 122.952 4.248 1
1 540 . 14 1 1 A 47 47 LEU H H 47 8.100 8.808 -0.708 1
1 541 . 14 1 1 A 47 47 LEU HA H 47 4.210 4.339 -0.129 1
1 551 . 14 1 1 A 47 47 LEU C C 47 175.600 174.879 0.721 1
1 552 . 14 1 1 A 47 47 LEU CA C 47 52.700 53.990 -1.290 1
1 553 . 14 1 1 A 47 47 LEU CB C 47 39.400 41.755 -2.355 1
1 557 . 14 1 1 A 47 47 LEU N N 47 127.100 128.254 -1.154 1
1 558 . 14 1 1 A 48 48 LEU H H 48 7.370 7.322 0.048 1
1 559 . 14 1 1 A 48 48 LEU HA H 48 4.830 4.533 0.297 1
1 569 . 14 1 1 A 48 48 LEU C C 48 177.900 176.955 0.945 1
1 570 . 14 1 1 A 48 48 LEU CA C 48 52.800 52.923 -0.123 1
1 571 . 14 1 1 A 48 48 LEU CB C 48 44.200 43.823 0.377 1
1 575 . 14 1 1 A 48 48 LEU N N 48 121.200 121.409 -0.209 1
1 576 . 14 1 1 A 49 49 VAL H H 49 9.020 8.542 0.478 1
1 577 . 14 1 1 A 49 49 VAL HA H 49 3.790 3.764 0.026 1
1 585 . 14 1 1 A 49 49 VAL C C 49 178.100 177.384 0.716 1
1 586 . 14 1 1 A 49 49 VAL CA C 49 66.700 66.424 0.276 1
1 587 . 14 1 1 A 49 49 VAL CB C 49 31.900 31.799 0.101 1
1 590 . 14 1 1 A 49 49 VAL N N 49 124.600 122.990 1.610 1
1 591 . 14 1 1 A 50 50 ASP H H 50 8.750 8.355 0.395 1
1 592 . 14 1 1 A 50 50 ASP HA H 50 4.490 4.417 0.073 1
1 595 . 14 1 1 A 50 50 ASP C C 50 176.900 177.750 -0.850 1
1 596 . 14 1 1 A 50 50 ASP CA C 50 56.200 57.493 -1.293 1
1 597 . 14 1 1 A 50 50 ASP CB C 50 40.400 41.931 -1.531 1
1 598 . 14 1 1 A 50 50 ASP N N 50 117.300 120.308 -3.008 1
1 599 . 14 1 1 A 51 51 GLU H H 51 7.500 7.547 -0.047 1
1 600 . 14 1 1 A 51 51 GLU HA H 51 4.470 4.424 0.046 1
1 605 . 14 1 1 A 51 51 GLU C C 51 175.300 176.459 -1.159 1
1 606 . 14 1 1 A 51 51 GLU CA C 51 55.600 56.330 -0.730 1
1 607 . 14 1 1 A 51 51 GLU CB C 51 30.300 30.570 -0.270 1
1 609 . 14 1 1 A 51 51 GLU N N 51 116.100 116.486 -0.386 1
1 610 . 14 1 1 A 52 52 ALA H H 52 7.370 7.329 0.041 1
1 611 . 14 1 1 A 52 52 ALA HA H 52 4.360 4.382 -0.022 1
1 615 . 14 1 1 A 52 52 ALA C C 52 177.100 177.361 -0.261 1
1 616 . 14 1 1 A 52 52 ALA CA C 52 51.900 53.218 -1.318 1
1 617 . 14 1 1 A 52 52 ALA CB C 52 20.900 19.332 1.568 1
1 618 . 14 1 1 A 52 52 ALA N N 52 122.000 123.639 -1.639 1
1 619 . 14 1 1 A 53 53 ARG H H 53 8.880 9.046 -0.166 1
1 620 . 14 1 1 A 53 53 ARG HA H 53 4.560 4.840 -0.280 1
1 628 . 14 1 1 A 53 53 ARG C C 53 175.800 176.046 -0.246 1
1 629 . 14 1 1 A 53 53 ARG CA C 53 54.900 54.406 0.494 1
1 630 . 14 1 1 A 53 53 ARG CB C 53 32.500 33.418 -0.918 1
1 633 . 14 1 1 A 53 53 ARG N N 53 121.500 122.048 -0.548 1
1 635 . 14 1 1 A 54 54 ARG H H 54 8.780 8.431 0.349 1
1 636 . 14 1 1 A 54 54 ARG HA H 54 4.560 4.651 -0.091 1
1 643 . 14 1 1 A 54 54 ARG CA C 54 54.000 54.652 -0.652 1
1 644 . 14 1 1 A 54 54 ARG CB C 54 30.100 30.581 -0.481 1
1 647 . 14 1 1 A 54 54 ARG N N 54 127.200 122.440 4.760 1
1 648 . 14 1 1 A 55 55 PRO HA H 55 4.380 4.447 -0.067 1
1 655 . 14 1 1 A 55 55 PRO C C 55 176.000 177.472 -1.472 1
1 656 . 14 1 1 A 55 55 PRO CA C 55 63.500 63.264 0.236 1
1 657 . 14 1 1 A 55 55 PRO CB C 55 32.000 32.594 -0.594 1
1 3 . 15 1 1 A 2 2 PRO HA H 2 4.460 4.583 -0.123 1
1 10 . 15 1 1 A 2 2 PRO C C 2 176.800 176.285 0.515 1
1 11 . 15 1 1 A 2 2 PRO CA C 2 63.100 63.614 -0.514 1
1 12 . 15 1 1 A 2 2 PRO CB C 2 32.100 31.853 0.247 1
1 15 . 15 1 1 A 3 3 LEU H H 3 8.520 7.606 0.914 1
1 16 . 15 1 1 A 3 3 LEU HA H 3 4.260 4.183 0.077 1
1 26 . 15 1 1 A 3 3 LEU C C 3 177.700 176.908 0.792 1
1 27 . 15 1 1 A 3 3 LEU CA C 3 55.400 55.279 0.121 1
1 28 . 15 1 1 A 3 3 LEU CB C 3 42.500 43.062 -0.562 1
1 32 . 15 1 1 A 3 3 LEU N N 3 122.400 120.685 1.715 1
1 33 . 15 1 1 A 4 4 GLU H H 4 8.430 8.489 -0.059 1
1 34 . 15 1 1 A 4 4 GLU HA H 4 4.200 4.295 -0.095 1
1 39 . 15 1 1 A 4 4 GLU C C 4 176.400 177.794 -1.394 1
1 40 . 15 1 1 A 4 4 GLU CA C 4 56.600 57.323 -0.723 1
1 41 . 15 1 1 A 4 4 GLU CB C 4 30.200 29.740 0.460 1
1 43 . 15 1 1 A 4 4 GLU N N 4 122.100 125.540 -3.440 1
1 44 . 15 1 1 A 5 5 ALA H H 5 8.420 8.782 -0.362 1
1 45 . 15 1 1 A 5 5 ALA HA H 5 4.210 4.272 -0.062 1
1 49 . 15 1 1 A 5 5 ALA C C 5 178.700 178.161 0.539 1
1 50 . 15 1 1 A 5 5 ALA CA C 5 53.500 52.589 0.911 1
1 51 . 15 1 1 A 5 5 ALA CB C 5 19.000 19.368 -0.368 1
1 52 . 15 1 1 A 5 5 ALA N N 5 125.900 126.012 -0.112 1
1 53 . 15 1 1 A 6 6 GLY H H 6 8.530 8.317 0.213 1
1 54 . 15 1 1 A 6 6 GLY HA2 H 6 3.910 3.883 0.027 1
1 55 . 15 1 1 A 6 6 GLY HA3 H 6 3.950 3.883 0.067 1
1 56 . 15 1 1 A 6 6 GLY C C 6 174.700 175.213 -0.513 1
1 57 . 15 1 1 A 6 6 GLY CA C 6 45.600 46.014 -0.414 1
1 58 . 15 1 1 A 6 6 GLY N N 6 108.100 106.595 1.505 1
1 59 . 15 1 1 A 7 7 LEU H H 7 7.850 8.714 -0.864 1
1 60 . 15 1 1 A 7 7 LEU HA H 7 4.300 4.132 0.168 1
1 70 . 15 1 1 A 7 7 LEU C C 7 177.700 178.090 -0.390 1
1 71 . 15 1 1 A 7 7 LEU CA C 7 55.800 56.564 -0.764 1
1 72 . 15 1 1 A 7 7 LEU CB C 7 42.500 41.368 1.132 1
1 76 . 15 1 1 A 7 7 LEU N N 7 121.300 125.816 -4.516 1
1 77 . 15 1 1 A 8 8 LEU H H 8 8.190 7.844 0.346 1
1 78 . 15 1 1 A 8 8 LEU HA H 8 4.160 3.940 0.220 1
1 88 . 15 1 1 A 8 8 LEU C C 8 177.700 179.207 -1.507 1
1 89 . 15 1 1 A 8 8 LEU CA C 8 56.100 57.663 -1.563 1
1 90 . 15 1 1 A 8 8 LEU CB C 8 42.100 40.604 1.496 1
1 94 . 15 1 1 A 8 8 LEU N N 8 120.600 118.761 1.839 1
1 95 . 15 1 1 A 9 9 GLU H H 9 8.150 7.759 0.391 1
1 96 . 15 1 1 A 9 9 GLU HA H 9 4.240 4.103 0.137 1
1 101 . 15 1 1 A 9 9 GLU C C 9 176.400 177.988 -1.588 1
1 102 . 15 1 1 A 9 9 GLU CA C 9 57.000 59.378 -2.378 1
1 103 . 15 1 1 A 9 9 GLU CB C 9 30.200 29.723 0.477 1
1 105 . 15 1 1 A 9 9 GLU N N 9 118.800 117.822 0.978 1
1 106 . 15 1 1 A 10 10 ILE H H 10 7.860 7.170 0.690 1
1 107 . 15 1 1 A 10 10 ILE HA H 10 4.280 4.432 -0.152 1
1 117 . 15 1 1 A 10 10 ILE C C 10 176.100 174.998 1.102 1
1 118 . 15 1 1 A 10 10 ILE CA C 10 60.800 59.572 1.228 1
1 119 . 15 1 1 A 10 10 ILE CB C 10 38.900 37.130 1.770 1
1 123 . 15 1 1 A 10 10 ILE N N 10 118.600 111.084 7.516 1
1 124 . 15 1 1 A 11 11 LEU H H 11 8.250 7.248 1.002 1
1 125 . 15 1 1 A 11 11 LEU HA H 11 4.380 5.011 -0.631 1
1 135 . 15 1 1 A 11 11 LEU C C 11 175.200 174.945 0.255 1
1 136 . 15 1 1 A 11 11 LEU CA C 11 54.400 53.547 0.853 1
1 137 . 15 1 1 A 11 11 LEU CB C 11 43.400 44.516 -1.116 1
1 141 . 15 1 1 A 11 11 LEU N N 11 125.900 125.295 0.605 1
1 142 . 15 1 1 A 12 12 ALA H H 12 7.920 8.801 -0.881 1
1 143 . 15 1 1 A 12 12 ALA HA H 12 4.620 5.256 -0.636 1
1 147 . 15 1 1 A 12 12 ALA C C 12 175.700 176.328 -0.628 1
1 148 . 15 1 1 A 12 12 ALA CA C 12 50.100 50.153 -0.053 1
1 149 . 15 1 1 A 12 12 ALA CB C 12 22.000 21.845 0.155 1
1 150 . 15 1 1 A 12 12 ALA N N 12 123.700 128.238 -4.538 1
1 151 . 15 1 1 A 13 13 CYS H H 13 9.310 8.446 0.864 1
1 152 . 15 1 1 A 13 13 CYS HA H 13 4.130 4.461 -0.331 1
1 155 . 15 1 1 A 13 13 CYS CA C 13 56.900 57.651 -0.751 1
1 156 . 15 1 1 A 13 13 CYS CB C 13 31.600 27.462 4.138 1
1 157 . 15 1 1 A 13 13 CYS N N 13 124.400 122.848 1.552 1
1 158 . 15 1 1 A 14 14 PRO HA H 14 4.340 4.394 -0.054 1
1 165 . 15 1 1 A 14 14 PRO C C 14 176.300 177.594 -1.294 1
1 166 . 15 1 1 A 14 14 PRO CA C 14 64.200 64.361 -0.161 1
1 167 . 15 1 1 A 14 14 PRO CB C 14 31.800 31.957 -0.157 1
1 170 . 15 1 1 A 15 15 ALA H H 15 8.690 8.186 0.504 1
1 171 . 15 1 1 A 15 15 ALA HA H 15 4.340 4.436 -0.096 1
1 175 . 15 1 1 A 15 15 ALA C C 15 178.300 179.036 -0.736 1
1 176 . 15 1 1 A 15 15 ALA CA C 15 54.300 54.296 0.004 1
1 177 . 15 1 1 A 15 15 ALA CB C 15 20.100 19.998 0.102 1
1 178 . 15 1 1 A 15 15 ALA N N 15 123.400 119.567 3.833 1
1 179 . 15 1 1 A 16 16 CYS H H 16 8.290 7.916 0.374 1
1 180 . 15 1 1 A 16 16 CYS HA H 16 4.860 4.498 0.362 1
1 183 . 15 1 1 A 16 16 CYS C C 16 176.700 174.848 1.852 1
1 184 . 15 1 1 A 16 16 CYS CA C 16 58.800 59.399 -0.599 1
1 185 . 15 1 1 A 16 16 CYS CB C 16 32.600 28.211 4.389 1
1 186 . 15 1 1 A 16 16 CYS N N 16 117.000 114.801 2.199 1
1 187 . 15 1 1 A 17 17 HIS H H 17 8.300 8.620 -0.320 1
1 188 . 15 1 1 A 17 17 HIS HA H 17 4.440 4.442 -0.002 1
1 193 . 15 1 1 A 17 17 HIS C C 17 173.000 173.882 -0.882 1
1 194 . 15 1 1 A 17 17 HIS CA C 17 57.700 56.895 0.805 1
1 195 . 15 1 1 A 17 17 HIS CB C 17 26.500 28.151 -1.651 1
1 198 . 15 1 1 A 17 17 HIS N N 17 117.800 119.098 -1.298 1
1 199 . 15 1 1 A 18 18 ALA H H 18 9.080 7.372 1.708 1
1 200 . 15 1 1 A 18 18 ALA HA H 18 4.640 4.488 0.152 1
1 204 . 15 1 1 A 18 18 ALA CA C 18 52.100 50.544 1.556 1
1 205 . 15 1 1 A 18 18 ALA CB C 18 19.000 21.953 -2.953 1
1 206 . 15 1 1 A 18 18 ALA N N 18 127.600 122.903 4.697 1
1 207 . 15 1 1 A 19 19 PRO HA H 19 4.540 4.480 0.060 1
1 214 . 15 1 1 A 19 19 PRO C C 19 177.000 175.690 1.310 1
1 215 . 15 1 1 A 19 19 PRO CA C 19 63.300 62.574 0.726 1
1 216 . 15 1 1 A 19 19 PRO CB C 19 32.500 32.370 0.130 1
1 219 . 15 1 1 A 20 20 LEU H H 20 8.450 8.431 0.019 1
1 220 . 15 1 1 A 20 20 LEU HA H 20 5.050 4.950 0.100 1
1 230 . 15 1 1 A 20 20 LEU C C 20 176.700 175.143 1.557 1
1 231 . 15 1 1 A 20 20 LEU CA C 20 53.300 53.041 0.259 1
1 232 . 15 1 1 A 20 20 LEU CB C 20 44.800 44.398 0.402 1
1 236 . 15 1 1 A 20 20 LEU N N 20 121.400 121.664 -0.264 1
1 237 . 15 1 1 A 21 21 GLU H H 21 9.030 9.312 -0.282 1
1 238 . 15 1 1 A 21 21 GLU HA H 21 4.660 5.047 -0.387 1
1 243 . 15 1 1 A 21 21 GLU C C 21 175.100 175.002 0.098 1
1 244 . 15 1 1 A 21 21 GLU CA C 21 54.100 54.588 -0.488 1
1 245 . 15 1 1 A 21 21 GLU CB C 21 33.000 33.087 -0.087 1
1 247 . 15 1 1 A 21 21 GLU N N 21 120.700 122.839 -2.139 1
1 248 . 15 1 1 A 22 22 GLU H H 22 8.950 8.803 0.147 1
1 249 . 15 1 1 A 22 22 GLU HA H 22 4.630 4.741 -0.111 1
1 254 . 15 1 1 A 22 22 GLU C C 22 176.000 175.172 0.828 1
1 255 . 15 1 1 A 22 22 GLU CA C 22 56.800 56.114 0.686 1
1 256 . 15 1 1 A 22 22 GLU CB C 22 30.200 31.080 -0.880 1
1 258 . 15 1 1 A 22 22 GLU N N 22 125.900 125.926 -0.026 1
1 259 . 15 1 1 A 23 23 ARG H H 23 8.830 9.134 -0.304 1
1 260 . 15 1 1 A 23 23 ARG HA H 23 4.500 4.682 -0.182 1
1 267 . 15 1 1 A 23 23 ARG C C 23 175.000 175.369 -0.369 1
1 268 . 15 1 1 A 23 23 ARG CA C 23 55.600 55.027 0.573 1
1 269 . 15 1 1 A 23 23 ARG CB C 23 32.100 32.110 -0.010 1
1 272 . 15 1 1 A 23 23 ARG N N 23 128.000 125.113 2.887 1
1 273 . 15 1 1 A 24 24 ASP H H 24 9.150 8.987 0.163 1
1 274 . 15 1 1 A 24 24 ASP HA H 24 4.180 4.222 -0.042 1
1 277 . 15 1 1 A 24 24 ASP C C 24 174.900 175.680 -0.780 1
1 278 . 15 1 1 A 24 24 ASP CA C 24 56.600 56.479 0.121 1
1 279 . 15 1 1 A 24 24 ASP CB C 24 39.600 39.496 0.104 1
1 280 . 15 1 1 A 24 24 ASP N N 24 126.000 124.573 1.427 1
1 281 . 15 1 1 A 25 25 ALA H H 25 8.480 8.291 0.189 1
1 282 . 15 1 1 A 25 25 ALA HA H 25 4.370 4.488 -0.118 1
1 286 . 15 1 1 A 25 25 ALA C C 25 175.700 176.215 -0.515 1
1 287 . 15 1 1 A 25 25 ALA CA C 25 52.600 51.143 1.457 1
1 288 . 15 1 1 A 25 25 ALA CB C 25 18.100 20.035 -1.935 1
1 289 . 15 1 1 A 25 25 ALA N N 25 122.800 124.481 -1.681 1
1 290 . 15 1 1 A 26 26 GLU H H 26 7.770 8.249 -0.479 1
1 291 . 15 1 1 A 26 26 GLU HA H 26 5.100 4.873 0.227 1
1 296 . 15 1 1 A 26 26 GLU C C 26 174.600 174.774 -0.174 1
1 297 . 15 1 1 A 26 26 GLU CA C 26 54.700 54.850 -0.150 1
1 298 . 15 1 1 A 26 26 GLU CB C 26 35.100 34.667 0.433 1
1 300 . 15 1 1 A 26 26 GLU N N 26 116.600 116.669 -0.069 1
1 301 . 15 1 1 A 27 27 LEU H H 27 9.190 9.347 -0.157 1
1 302 . 15 1 1 A 27 27 LEU HA H 27 5.010 5.247 -0.237 1
1 312 . 15 1 1 A 27 27 LEU C C 27 175.500 176.208 -0.708 1
1 313 . 15 1 1 A 27 27 LEU CA C 27 53.200 53.503 -0.303 1
1 314 . 15 1 1 A 27 27 LEU CB C 27 44.400 43.654 0.746 1
1 318 . 15 1 1 A 27 27 LEU N N 27 120.900 122.641 -1.741 1
1 319 . 15 1 1 A 28 28 ILE H H 28 9.480 9.727 -0.247 1
1 320 . 15 1 1 A 28 28 ILE HA H 28 4.770 4.567 0.203 1
1 330 . 15 1 1 A 28 28 ILE C C 28 175.300 175.578 -0.278 1
1 331 . 15 1 1 A 28 28 ILE CA C 28 60.000 59.924 0.076 1
1 332 . 15 1 1 A 28 28 ILE CB C 28 39.700 40.938 -1.238 1
1 336 . 15 1 1 A 28 28 ILE N N 28 123.300 122.794 0.506 1
1 337 . 15 1 1 A 29 29 CYS H H 29 9.160 9.118 0.042 1
1 338 . 15 1 1 A 29 29 CYS HA H 29 4.250 4.661 -0.411 1
1 341 . 15 1 1 A 29 29 CYS C C 29 176.700 174.814 1.886 1
1 342 . 15 1 1 A 29 29 CYS CA C 29 62.000 58.856 3.144 1
1 343 . 15 1 1 A 29 29 CYS CB C 29 30.400 27.132 3.268 1
1 344 . 15 1 1 A 29 29 CYS N N 29 130.800 126.519 4.281 1
1 345 . 15 1 1 A 30 30 THR H H 30 7.840 9.009 -1.169 1
1 346 . 15 1 1 A 30 30 THR HA H 30 4.280 5.251 -0.971 1
1 351 . 15 1 1 A 30 30 THR C C 30 175.300 174.427 0.873 1
1 352 . 15 1 1 A 30 30 THR CA C 30 62.400 60.192 2.208 1
1 353 . 15 1 1 A 30 30 THR CB C 30 70.500 70.590 -0.090 1
1 355 . 15 1 1 A 30 30 THR N N 30 118.800 120.547 -1.747 1
1 356 . 15 1 1 A 31 31 GLY H H 31 10.310 8.441 1.869 1
1 357 . 15 1 1 A 31 31 GLY HA2 H 31 3.710 4.247 -0.537 1
1 358 . 15 1 1 A 31 31 GLY HA3 H 31 3.960 4.249 -0.289 1
1 359 . 15 1 1 A 31 31 GLY C C 31 175.900 174.582 1.318 1
1 360 . 15 1 1 A 31 31 GLY CA C 31 45.300 45.556 -0.256 1
1 361 . 15 1 1 A 31 31 GLY N N 31 120.100 111.969 8.131 1
1 362 . 15 1 1 A 32 32 GLN H H 32 8.940 8.604 0.336 1
1 363 . 15 1 1 A 32 32 GLN HA H 32 3.990 3.999 -0.009 1
1 370 . 15 1 1 A 32 32 GLN C C 32 176.400 177.006 -0.606 1
1 371 . 15 1 1 A 32 32 GLN CA C 32 58.200 58.353 -0.153 1
1 372 . 15 1 1 A 32 32 GLN CB C 32 28.800 28.957 -0.157 1
1 375 . 15 1 1 A 32 32 GLN N N 32 127.200 119.329 7.871 1
1 377 . 15 1 1 A 33 33 ASP H H 33 8.560 7.647 0.913 1
1 378 . 15 1 1 A 33 33 ASP HA H 33 4.610 4.706 -0.096 1
1 381 . 15 1 1 A 33 33 ASP C C 33 174.500 176.303 -1.803 1
1 382 . 15 1 1 A 33 33 ASP CA C 33 54.000 54.351 -0.351 1
1 383 . 15 1 1 A 33 33 ASP CB C 33 40.400 41.476 -1.076 1
1 384 . 15 1 1 A 33 33 ASP N N 33 117.200 117.304 -0.104 1
1 385 . 15 1 1 A 34 34 CYS H H 34 7.330 7.618 -0.288 1
1 386 . 15 1 1 A 34 34 CYS HA H 34 4.480 4.431 0.049 1
1 389 . 15 1 1 A 34 34 CYS C C 34 175.500 175.522 -0.022 1
1 390 . 15 1 1 A 34 34 CYS CA C 34 60.100 59.510 0.590 1
1 391 . 15 1 1 A 34 34 CYS CB C 34 31.200 29.377 1.823 1
1 392 . 15 1 1 A 34 34 CYS N N 34 123.800 118.740 5.060 1
1 393 . 15 1 1 A 35 35 GLY H H 35 8.020 8.391 -0.371 1
1 394 . 15 1 1 A 35 35 GLY HA2 H 35 3.940 4.006 -0.066 1
1 395 . 15 1 1 A 35 35 GLY HA3 H 35 4.240 4.011 0.229 1
1 396 . 15 1 1 A 35 35 GLY C C 35 173.900 175.026 -1.126 1
1 397 . 15 1 1 A 35 35 GLY CA C 35 46.900 45.361 1.539 1
1 398 . 15 1 1 A 35 35 GLY N N 35 108.700 112.253 -3.553 1
1 399 . 15 1 1 A 36 36 LEU H H 36 7.430 7.957 -0.527 1
1 400 . 15 1 1 A 36 36 LEU HA H 36 3.930 4.374 -0.444 1
1 410 . 15 1 1 A 36 36 LEU C C 36 173.800 175.977 -2.177 1
1 411 . 15 1 1 A 36 36 LEU CA C 36 56.400 55.131 1.269 1
1 412 . 15 1 1 A 36 36 LEU CB C 36 43.300 42.234 1.066 1
1 416 . 15 1 1 A 36 36 LEU N N 36 121.100 122.359 -1.259 1
1 417 . 15 1 1 A 37 37 ALA H H 37 7.990 8.605 -0.615 1
1 418 . 15 1 1 A 37 37 ALA HA H 37 5.240 5.333 -0.093 1
1 422 . 15 1 1 A 37 37 ALA C C 37 176.700 174.854 1.846 1
1 423 . 15 1 1 A 37 37 ALA CA C 37 49.800 50.220 -0.420 1
1 424 . 15 1 1 A 37 37 ALA CB C 37 22.200 23.011 -0.811 1
1 425 . 15 1 1 A 37 37 ALA N N 37 119.900 121.413 -1.513 1
1 426 . 15 1 1 A 38 38 TYR H H 38 9.740 9.484 0.256 1
1 427 . 15 1 1 A 38 38 TYR HA H 38 4.730 4.953 -0.223 1
1 434 . 15 1 1 A 38 38 TYR CA C 38 55.900 55.354 0.546 1
1 435 . 15 1 1 A 38 38 TYR CB C 38 38.800 41.198 -2.398 1
1 440 . 15 1 1 A 38 38 TYR N N 38 125.300 118.976 6.324 1
1 441 . 15 1 1 A 39 39 PRO HA H 39 4.700 4.675 0.025 1
1 448 . 15 1 1 A 39 39 PRO C C 39 175.100 175.229 -0.129 1
1 449 . 15 1 1 A 39 39 PRO CA C 39 63.100 62.345 0.755 1
1 450 . 15 1 1 A 39 39 PRO CB C 39 32.900 32.827 0.073 1
1 453 . 15 1 1 A 40 40 VAL H H 40 7.830 8.442 -0.612 1
1 454 . 15 1 1 A 40 40 VAL HA H 40 4.190 4.630 -0.440 1
1 462 . 15 1 1 A 40 40 VAL C C 40 176.300 174.251 2.049 1
1 463 . 15 1 1 A 40 40 VAL CA C 40 62.100 60.919 1.181 1
1 464 . 15 1 1 A 40 40 VAL CB C 40 32.300 33.236 -0.936 1
1 467 . 15 1 1 A 40 40 VAL N N 40 119.300 120.290 -0.990 1
1 468 . 15 1 1 A 41 41 ARG H H 41 8.410 9.302 -0.892 1
1 469 . 15 1 1 A 41 41 ARG HA H 41 4.680 4.736 -0.056 1
1 476 . 15 1 1 A 41 41 ARG C C 41 175.900 175.314 0.586 1
1 477 . 15 1 1 A 41 41 ARG CA C 41 55.100 55.030 0.070 1
1 478 . 15 1 1 A 41 41 ARG CB C 41 32.200 32.765 -0.565 1
1 481 . 15 1 1 A 41 41 ARG N N 41 127.400 127.171 0.229 1
1 482 . 15 1 1 A 42 42 ASP H H 42 9.440 9.499 -0.059 1
1 483 . 15 1 1 A 42 42 ASP HA H 42 4.270 4.285 -0.015 1
1 486 . 15 1 1 A 42 42 ASP C C 42 175.800 175.415 0.385 1
1 487 . 15 1 1 A 42 42 ASP CA C 42 55.400 55.063 0.337 1
1 488 . 15 1 1 A 42 42 ASP CB C 42 39.700 39.715 -0.015 1
1 489 . 15 1 1 A 42 42 ASP N N 42 127.200 126.724 0.476 1
1 490 . 15 1 1 A 43 43 GLY H H 43 8.390 8.658 -0.268 1
1 491 . 15 1 1 A 43 43 GLY HA2 H 43 3.420 3.835 -0.415 1
1 492 . 15 1 1 A 43 43 GLY HA3 H 43 4.100 3.836 0.264 1
1 493 . 15 1 1 A 43 43 GLY C C 43 173.400 173.761 -0.361 1
1 494 . 15 1 1 A 43 43 GLY CA C 43 45.200 45.466 -0.266 1
1 495 . 15 1 1 A 43 43 GLY N N 43 102.300 103.725 -1.425 1
1 496 . 15 1 1 A 44 44 ILE H H 44 7.760 8.300 -0.540 1
1 497 . 15 1 1 A 44 44 ILE HA H 44 4.610 4.469 0.141 1
1 507 . 15 1 1 A 44 44 ILE CA C 44 57.300 57.747 -0.447 1
1 508 . 15 1 1 A 44 44 ILE CB C 44 39.500 40.120 -0.620 1
1 512 . 15 1 1 A 44 44 ILE N N 44 121.900 121.914 -0.014 1
1 513 . 15 1 1 A 45 45 PRO HA H 45 4.570 4.602 -0.032 1
1 520 . 15 1 1 A 45 45 PRO C C 45 175.900 176.134 -0.234 1
1 521 . 15 1 1 A 45 45 PRO CA C 45 62.600 62.670 -0.070 1
1 522 . 15 1 1 A 45 45 PRO CB C 45 32.400 32.289 0.111 1
1 525 . 15 1 1 A 46 46 VAL H H 46 8.790 8.601 0.189 1
1 526 . 15 1 1 A 46 46 VAL HA H 46 4.050 4.223 -0.173 1
1 534 . 15 1 1 A 46 46 VAL C C 46 175.200 175.874 -0.674 1
1 535 . 15 1 1 A 46 46 VAL CA C 46 61.700 61.744 -0.044 1
1 536 . 15 1 1 A 46 46 VAL CB C 46 30.800 32.324 -1.524 1
1 539 . 15 1 1 A 46 46 VAL N N 46 127.200 122.288 4.912 1
1 540 . 15 1 1 A 47 47 LEU H H 47 8.100 8.825 -0.725 1
1 541 . 15 1 1 A 47 47 LEU HA H 47 4.210 4.427 -0.217 1
1 551 . 15 1 1 A 47 47 LEU C C 47 175.600 175.560 0.040 1
1 552 . 15 1 1 A 47 47 LEU CA C 47 52.700 53.716 -1.016 1
1 553 . 15 1 1 A 47 47 LEU CB C 47 39.400 41.823 -2.423 1
1 557 . 15 1 1 A 47 47 LEU N N 47 127.100 126.550 0.550 1
1 558 . 15 1 1 A 48 48 LEU H H 48 7.370 7.454 -0.084 1
1 559 . 15 1 1 A 48 48 LEU HA H 48 4.830 4.626 0.204 1
1 569 . 15 1 1 A 48 48 LEU C C 48 177.900 177.180 0.720 1
1 570 . 15 1 1 A 48 48 LEU CA C 48 52.800 53.356 -0.556 1
1 571 . 15 1 1 A 48 48 LEU CB C 48 44.200 43.712 0.488 1
1 575 . 15 1 1 A 48 48 LEU N N 48 121.200 121.805 -0.605 1
1 576 . 15 1 1 A 49 49 VAL H H 49 9.020 8.669 0.351 1
1 577 . 15 1 1 A 49 49 VAL HA H 49 3.790 3.809 -0.019 1
1 585 . 15 1 1 A 49 49 VAL C C 49 178.100 177.137 0.963 1
1 586 . 15 1 1 A 49 49 VAL CA C 49 66.700 66.590 0.110 1
1 587 . 15 1 1 A 49 49 VAL CB C 49 31.900 31.915 -0.015 1
1 590 . 15 1 1 A 49 49 VAL N N 49 124.600 122.463 2.137 1
1 591 . 15 1 1 A 50 50 ASP H H 50 8.750 8.237 0.513 1
1 592 . 15 1 1 A 50 50 ASP HA H 50 4.490 4.406 0.084 1
1 595 . 15 1 1 A 50 50 ASP C C 50 176.900 178.247 -1.347 1
1 596 . 15 1 1 A 50 50 ASP CA C 50 56.200 57.627 -1.427 1
1 597 . 15 1 1 A 50 50 ASP CB C 50 40.400 40.065 0.335 1
1 598 . 15 1 1 A 50 50 ASP N N 50 117.300 120.080 -2.780 1
1 599 . 15 1 1 A 51 51 GLU H H 51 7.500 7.634 -0.134 1
1 600 . 15 1 1 A 51 51 GLU HA H 51 4.470 4.391 0.079 1
1 605 . 15 1 1 A 51 51 GLU C C 51 175.300 176.482 -1.182 1
1 606 . 15 1 1 A 51 51 GLU CA C 51 55.600 57.040 -1.440 1
1 607 . 15 1 1 A 51 51 GLU CB C 51 30.300 30.246 0.054 1
1 609 . 15 1 1 A 51 51 GLU N N 51 116.100 115.930 0.170 1
1 610 . 15 1 1 A 52 52 ALA H H 52 7.370 7.562 -0.192 1
1 611 . 15 1 1 A 52 52 ALA HA H 52 4.360 3.629 0.731 1
1 615 . 15 1 1 A 52 52 ALA C C 52 177.100 176.842 0.258 1
1 616 . 15 1 1 A 52 52 ALA CA C 52 51.900 52.724 -0.824 1
1 617 . 15 1 1 A 52 52 ALA CB C 52 20.900 19.132 1.768 1
1 618 . 15 1 1 A 52 52 ALA N N 52 122.000 123.896 -1.896 1
1 619 . 15 1 1 A 53 53 ARG H H 53 8.880 8.473 0.407 1
1 620 . 15 1 1 A 53 53 ARG HA H 53 4.560 4.673 -0.113 1
1 628 . 15 1 1 A 53 53 ARG C C 53 175.800 175.582 0.218 1
1 629 . 15 1 1 A 53 53 ARG CA C 53 54.900 54.500 0.400 1
1 630 . 15 1 1 A 53 53 ARG CB C 53 32.500 32.432 0.068 1
1 633 . 15 1 1 A 53 53 ARG N N 53 121.500 122.996 -1.496 1
1 635 . 15 1 1 A 54 54 ARG H H 54 8.780 8.563 0.217 1
1 636 . 15 1 1 A 54 54 ARG HA H 54 4.560 4.672 -0.112 1
1 643 . 15 1 1 A 54 54 ARG CA C 54 54.000 54.571 -0.571 1
1 644 . 15 1 1 A 54 54 ARG CB C 54 30.100 30.589 -0.489 1
1 647 . 15 1 1 A 54 54 ARG N N 54 127.200 125.092 2.108 1
1 648 . 15 1 1 A 55 55 PRO HA H 55 4.380 4.348 0.032 1
1 655 . 15 1 1 A 55 55 PRO C C 55 176.000 176.839 -0.839 1
1 656 . 15 1 1 A 55 55 PRO CA C 55 63.500 63.303 0.197 1
1 657 . 15 1 1 A 55 55 PRO CB C 55 32.000 32.113 -0.113 1
1 3 . 16 1 1 A 2 2 PRO HA H 2 4.460 4.308 0.152 1
1 10 . 16 1 1 A 2 2 PRO C C 2 176.800 176.735 0.065 1
1 11 . 16 1 1 A 2 2 PRO CA C 2 63.100 65.924 -2.824 1
1 12 . 16 1 1 A 2 2 PRO CB C 2 32.100 31.208 0.892 1
1 15 . 16 1 1 A 3 3 LEU H H 3 8.520 8.280 0.240 1
1 16 . 16 1 1 A 3 3 LEU HA H 3 4.260 4.365 -0.105 1
1 26 . 16 1 1 A 3 3 LEU C C 3 177.700 177.606 0.094 1
1 27 . 16 1 1 A 3 3 LEU CA C 3 55.400 54.567 0.833 1
1 28 . 16 1 1 A 3 3 LEU CB C 3 42.500 41.397 1.103 1
1 32 . 16 1 1 A 3 3 LEU N N 3 122.400 120.744 1.656 1
1 33 . 16 1 1 A 4 4 GLU H H 4 8.430 8.580 -0.150 1
1 34 . 16 1 1 A 4 4 GLU HA H 4 4.200 4.342 -0.142 1
1 39 . 16 1 1 A 4 4 GLU C C 4 176.400 178.427 -2.027 1
1 40 . 16 1 1 A 4 4 GLU CA C 4 56.600 57.461 -0.861 1
1 41 . 16 1 1 A 4 4 GLU CB C 4 30.200 30.295 -0.095 1
1 43 . 16 1 1 A 4 4 GLU N N 4 122.100 122.443 -0.343 1
1 44 . 16 1 1 A 5 5 ALA H H 5 8.420 8.201 0.219 1
1 45 . 16 1 1 A 5 5 ALA HA H 5 4.210 4.046 0.164 1
1 49 . 16 1 1 A 5 5 ALA C C 5 178.700 179.799 -1.099 1
1 50 . 16 1 1 A 5 5 ALA CA C 5 53.500 54.840 -1.340 1
1 51 . 16 1 1 A 5 5 ALA CB C 5 19.000 18.505 0.495 1
1 52 . 16 1 1 A 5 5 ALA N N 5 125.900 124.087 1.813 1
1 53 . 16 1 1 A 6 6 GLY H H 6 8.530 8.425 0.105 1
1 54 . 16 1 1 A 6 6 GLY HA2 H 6 3.910 3.805 0.105 1
1 55 . 16 1 1 A 6 6 GLY HA3 H 6 3.950 3.808 0.142 1
1 56 . 16 1 1 A 6 6 GLY C C 6 174.700 175.846 -1.146 1
1 57 . 16 1 1 A 6 6 GLY CA C 6 45.600 47.028 -1.428 1
1 58 . 16 1 1 A 6 6 GLY N N 6 108.100 106.013 2.087 1
1 59 . 16 1 1 A 7 7 LEU H H 7 7.850 7.875 -0.025 1
1 60 . 16 1 1 A 7 7 LEU HA H 7 4.300 4.072 0.228 1
1 70 . 16 1 1 A 7 7 LEU C C 7 177.700 178.002 -0.302 1
1 71 . 16 1 1 A 7 7 LEU CA C 7 55.800 57.855 -2.055 1
1 72 . 16 1 1 A 7 7 LEU CB C 7 42.500 41.790 0.710 1
1 76 . 16 1 1 A 7 7 LEU N N 7 121.300 121.692 -0.392 1
1 77 . 16 1 1 A 8 8 LEU H H 8 8.190 7.372 0.818 1
1 78 . 16 1 1 A 8 8 LEU HA H 8 4.160 4.204 -0.044 1
1 88 . 16 1 1 A 8 8 LEU C C 8 177.700 176.582 1.118 1
1 89 . 16 1 1 A 8 8 LEU CA C 8 56.100 54.981 1.119 1
1 90 . 16 1 1 A 8 8 LEU CB C 8 42.100 42.484 -0.384 1
1 94 . 16 1 1 A 8 8 LEU N N 8 120.600 118.557 2.043 1
1 95 . 16 1 1 A 9 9 GLU H H 9 8.150 8.383 -0.233 1
1 96 . 16 1 1 A 9 9 GLU HA H 9 4.240 4.402 -0.162 1
1 101 . 16 1 1 A 9 9 GLU C C 9 176.400 175.508 0.892 1
1 102 . 16 1 1 A 9 9 GLU CA C 9 57.000 56.788 0.212 1
1 103 . 16 1 1 A 9 9 GLU CB C 9 30.200 29.874 0.326 1
1 105 . 16 1 1 A 9 9 GLU N N 9 118.800 122.995 -4.195 1
1 106 . 16 1 1 A 10 10 ILE H H 10 7.860 8.599 -0.739 1
1 107 . 16 1 1 A 10 10 ILE HA H 10 4.280 4.899 -0.619 1
1 117 . 16 1 1 A 10 10 ILE C C 10 176.100 175.477 0.623 1
1 118 . 16 1 1 A 10 10 ILE CA C 10 60.800 60.029 0.771 1
1 119 . 16 1 1 A 10 10 ILE CB C 10 38.900 40.486 -1.586 1
1 123 . 16 1 1 A 10 10 ILE N N 10 118.600 128.648 -10.048 1
1 124 . 16 1 1 A 11 11 LEU H H 11 8.250 8.601 -0.351 1
1 125 . 16 1 1 A 11 11 LEU HA H 11 4.380 4.263 0.117 1
1 135 . 16 1 1 A 11 11 LEU C C 11 175.200 176.290 -1.090 1
1 136 . 16 1 1 A 11 11 LEU CA C 11 54.400 55.010 -0.610 1
1 137 . 16 1 1 A 11 11 LEU CB C 11 43.400 42.396 1.004 1
1 141 . 16 1 1 A 11 11 LEU N N 11 125.900 128.664 -2.764 1
1 142 . 16 1 1 A 12 12 ALA H H 12 7.920 8.505 -0.585 1
1 143 . 16 1 1 A 12 12 ALA HA H 12 4.620 5.132 -0.512 1
1 147 . 16 1 1 A 12 12 ALA C C 12 175.700 176.203 -0.503 1
1 148 . 16 1 1 A 12 12 ALA CA C 12 50.100 49.783 0.317 1
1 149 . 16 1 1 A 12 12 ALA CB C 12 22.000 22.186 -0.186 1
1 150 . 16 1 1 A 12 12 ALA N N 12 123.700 123.241 0.459 1
1 151 . 16 1 1 A 13 13 CYS H H 13 9.310 8.283 1.027 1
1 152 . 16 1 1 A 13 13 CYS HA H 13 4.130 4.419 -0.289 1
1 155 . 16 1 1 A 13 13 CYS CA C 13 56.900 58.089 -1.189 1
1 156 . 16 1 1 A 13 13 CYS CB C 13 31.600 26.952 4.648 1
1 157 . 16 1 1 A 13 13 CYS N N 13 124.400 118.867 5.533 1
1 158 . 16 1 1 A 14 14 PRO HA H 14 4.340 4.367 -0.027 1
1 165 . 16 1 1 A 14 14 PRO C C 14 176.300 179.201 -2.901 1
1 166 . 16 1 1 A 14 14 PRO CA C 14 64.200 66.128 -1.928 1
1 167 . 16 1 1 A 14 14 PRO CB C 14 31.800 31.236 0.564 1
1 170 . 16 1 1 A 15 15 ALA H H 15 8.690 8.240 0.450 1
1 171 . 16 1 1 A 15 15 ALA HA H 15 4.340 4.103 0.237 1
1 175 . 16 1 1 A 15 15 ALA C C 15 178.300 178.132 0.168 1
1 176 . 16 1 1 A 15 15 ALA CA C 15 54.300 55.243 -0.943 1
1 177 . 16 1 1 A 15 15 ALA CB C 15 20.100 18.384 1.716 1
1 178 . 16 1 1 A 15 15 ALA N N 15 123.400 118.569 4.831 1
1 179 . 16 1 1 A 16 16 CYS H H 16 8.290 8.110 0.180 1
1 180 . 16 1 1 A 16 16 CYS HA H 16 4.860 4.624 0.236 1
1 183 . 16 1 1 A 16 16 CYS C C 16 176.700 174.370 2.330 1
1 184 . 16 1 1 A 16 16 CYS CA C 16 58.800 58.514 0.286 1
1 185 . 16 1 1 A 16 16 CYS CB C 16 32.600 27.127 5.473 1
1 186 . 16 1 1 A 16 16 CYS N N 16 117.000 112.763 4.237 1
1 187 . 16 1 1 A 17 17 HIS H H 17 8.300 8.058 0.242 1
1 188 . 16 1 1 A 17 17 HIS HA H 17 4.440 4.649 -0.209 1
1 193 . 16 1 1 A 17 17 HIS C C 17 173.000 174.398 -1.398 1
1 194 . 16 1 1 A 17 17 HIS CA C 17 57.700 57.887 -0.187 1
1 195 . 16 1 1 A 17 17 HIS CB C 17 26.500 30.215 -3.715 1
1 198 . 16 1 1 A 17 17 HIS N N 17 117.800 122.327 -4.527 1
1 199 . 16 1 1 A 18 18 ALA H H 18 9.080 8.523 0.557 1
1 200 . 16 1 1 A 18 18 ALA HA H 18 4.640 4.661 -0.021 1
1 204 . 16 1 1 A 18 18 ALA CA C 18 52.100 50.521 1.579 1
1 205 . 16 1 1 A 18 18 ALA CB C 18 19.000 22.137 -3.137 1
1 206 . 16 1 1 A 18 18 ALA N N 18 127.600 128.020 -0.420 1
1 207 . 16 1 1 A 19 19 PRO HA H 19 4.540 4.397 0.143 1
1 214 . 16 1 1 A 19 19 PRO C C 19 177.000 175.844 1.156 1
1 215 . 16 1 1 A 19 19 PRO CA C 19 63.300 63.108 0.192 1
1 216 . 16 1 1 A 19 19 PRO CB C 19 32.500 31.987 0.513 1
1 219 . 16 1 1 A 20 20 LEU H H 20 8.450 8.175 0.275 1
1 220 . 16 1 1 A 20 20 LEU HA H 20 5.050 4.998 0.052 1
1 230 . 16 1 1 A 20 20 LEU C C 20 176.700 175.161 1.539 1
1 231 . 16 1 1 A 20 20 LEU CA C 20 53.300 53.090 0.210 1
1 232 . 16 1 1 A 20 20 LEU CB C 20 44.800 44.626 0.174 1
1 236 . 16 1 1 A 20 20 LEU N N 20 121.400 121.877 -0.477 1
1 237 . 16 1 1 A 21 21 GLU H H 21 9.030 9.330 -0.300 1
1 238 . 16 1 1 A 21 21 GLU HA H 21 4.660 4.979 -0.319 1
1 243 . 16 1 1 A 21 21 GLU C C 21 175.100 174.669 0.431 1
1 244 . 16 1 1 A 21 21 GLU CA C 21 54.100 54.503 -0.403 1
1 245 . 16 1 1 A 21 21 GLU CB C 21 33.000 32.528 0.472 1
1 247 . 16 1 1 A 21 21 GLU N N 21 120.700 123.143 -2.443 1
1 248 . 16 1 1 A 22 22 GLU H H 22 8.950 8.929 0.021 1
1 249 . 16 1 1 A 22 22 GLU HA H 22 4.630 4.889 -0.259 1
1 254 . 16 1 1 A 22 22 GLU C C 22 176.000 175.691 0.309 1
1 255 . 16 1 1 A 22 22 GLU CA C 22 56.800 55.622 1.178 1
1 256 . 16 1 1 A 22 22 GLU CB C 22 30.200 31.685 -1.485 1
1 258 . 16 1 1 A 22 22 GLU N N 22 125.900 128.648 -2.748 1
1 259 . 16 1 1 A 23 23 ARG H H 23 8.830 8.987 -0.157 1
1 260 . 16 1 1 A 23 23 ARG HA H 23 4.500 4.816 -0.316 1
1 267 . 16 1 1 A 23 23 ARG C C 23 175.000 175.453 -0.453 1
1 268 . 16 1 1 A 23 23 ARG CA C 23 55.600 54.844 0.756 1
1 269 . 16 1 1 A 23 23 ARG CB C 23 32.100 32.996 -0.896 1
1 272 . 16 1 1 A 23 23 ARG N N 23 128.000 125.619 2.381 1
1 273 . 16 1 1 A 24 24 ASP H H 24 9.150 8.999 0.151 1
1 274 . 16 1 1 A 24 24 ASP HA H 24 4.180 4.260 -0.080 1
1 277 . 16 1 1 A 24 24 ASP C C 24 174.900 175.625 -0.725 1
1 278 . 16 1 1 A 24 24 ASP CA C 24 56.600 56.476 0.124 1
1 279 . 16 1 1 A 24 24 ASP CB C 24 39.600 39.504 0.096 1
1 280 . 16 1 1 A 24 24 ASP N N 24 126.000 120.230 5.770 1
1 281 . 16 1 1 A 25 25 ALA H H 25 8.480 8.227 0.253 1
1 282 . 16 1 1 A 25 25 ALA HA H 25 4.370 4.495 -0.125 1
1 286 . 16 1 1 A 25 25 ALA C C 25 175.700 176.282 -0.582 1
1 287 . 16 1 1 A 25 25 ALA CA C 25 52.600 51.227 1.373 1
1 288 . 16 1 1 A 25 25 ALA CB C 25 18.100 19.972 -1.872 1
1 289 . 16 1 1 A 25 25 ALA N N 25 122.800 125.172 -2.372 1
1 290 . 16 1 1 A 26 26 GLU H H 26 7.770 8.301 -0.531 1
1 291 . 16 1 1 A 26 26 GLU HA H 26 5.100 4.875 0.225 1
1 296 . 16 1 1 A 26 26 GLU C C 26 174.600 174.870 -0.270 1
1 297 . 16 1 1 A 26 26 GLU CA C 26 54.700 54.762 -0.062 1
1 298 . 16 1 1 A 26 26 GLU CB C 26 35.100 33.487 1.613 1
1 300 . 16 1 1 A 26 26 GLU N N 26 116.600 116.775 -0.175 1
1 301 . 16 1 1 A 27 27 LEU H H 27 9.190 9.502 -0.312 1
1 302 . 16 1 1 A 27 27 LEU HA H 27 5.010 5.437 -0.427 1
1 312 . 16 1 1 A 27 27 LEU C C 27 175.500 176.299 -0.799 1
1 313 . 16 1 1 A 27 27 LEU CA C 27 53.200 53.344 -0.144 1
1 314 . 16 1 1 A 27 27 LEU CB C 27 44.400 44.267 0.133 1
1 318 . 16 1 1 A 27 27 LEU N N 27 120.900 123.702 -2.802 1
1 319 . 16 1 1 A 28 28 ILE H H 28 9.480 9.742 -0.262 1
1 320 . 16 1 1 A 28 28 ILE HA H 28 4.770 4.671 0.099 1
1 330 . 16 1 1 A 28 28 ILE C C 28 175.300 175.724 -0.424 1
1 331 . 16 1 1 A 28 28 ILE CA C 28 60.000 59.823 0.177 1
1 332 . 16 1 1 A 28 28 ILE CB C 28 39.700 41.263 -1.563 1
1 336 . 16 1 1 A 28 28 ILE N N 28 123.300 122.462 0.838 1
1 337 . 16 1 1 A 29 29 CYS H H 29 9.160 9.376 -0.216 1
1 338 . 16 1 1 A 29 29 CYS HA H 29 4.250 4.571 -0.321 1
1 341 . 16 1 1 A 29 29 CYS C C 29 176.700 174.335 2.365 1
1 342 . 16 1 1 A 29 29 CYS CA C 29 62.000 59.518 2.482 1
1 343 . 16 1 1 A 29 29 CYS CB C 29 30.400 27.770 2.630 1
1 344 . 16 1 1 A 29 29 CYS N N 29 130.800 125.585 5.215 1
1 345 . 16 1 1 A 30 30 THR H H 30 7.840 9.058 -1.218 1
1 346 . 16 1 1 A 30 30 THR HA H 30 4.280 4.397 -0.117 1
1 351 . 16 1 1 A 30 30 THR C C 30 175.300 175.656 -0.356 1
1 352 . 16 1 1 A 30 30 THR CA C 30 62.400 63.612 -1.212 1
1 353 . 16 1 1 A 30 30 THR CB C 30 70.500 69.599 0.901 1
1 355 . 16 1 1 A 30 30 THR N N 30 118.800 119.249 -0.449 1
1 356 . 16 1 1 A 31 31 GLY H H 31 10.310 7.752 2.558 1
1 357 . 16 1 1 A 31 31 GLY HA2 H 31 3.710 4.010 -0.300 1
1 358 . 16 1 1 A 31 31 GLY HA3 H 31 3.960 4.010 -0.050 1
1 359 . 16 1 1 A 31 31 GLY C C 31 175.900 175.640 0.260 1
1 360 . 16 1 1 A 31 31 GLY CA C 31 45.300 45.630 -0.330 1
1 361 . 16 1 1 A 31 31 GLY N N 31 120.100 109.448 10.652 1
1 362 . 16 1 1 A 32 32 GLN H H 32 8.940 8.794 0.146 1
1 363 . 16 1 1 A 32 32 GLN HA H 32 3.990 4.010 -0.020 1
1 370 . 16 1 1 A 32 32 GLN C C 32 176.400 177.001 -0.601 1
1 371 . 16 1 1 A 32 32 GLN CA C 32 58.200 58.019 0.181 1
1 372 . 16 1 1 A 32 32 GLN CB C 32 28.800 28.771 0.029 1
1 375 . 16 1 1 A 32 32 GLN N N 32 127.200 123.570 3.630 1
1 377 . 16 1 1 A 33 33 ASP H H 33 8.560 8.093 0.467 1
1 378 . 16 1 1 A 33 33 ASP HA H 33 4.610 4.666 -0.056 1
1 381 . 16 1 1 A 33 33 ASP C C 33 174.500 175.888 -1.388 1
1 382 . 16 1 1 A 33 33 ASP CA C 33 54.000 55.105 -1.105 1
1 383 . 16 1 1 A 33 33 ASP CB C 33 40.400 41.123 -0.723 1
1 384 . 16 1 1 A 33 33 ASP N N 33 117.200 117.602 -0.402 1
1 385 . 16 1 1 A 34 34 CYS H H 34 7.330 7.877 -0.547 1
1 386 . 16 1 1 A 34 34 CYS HA H 34 4.480 4.728 -0.248 1
1 389 . 16 1 1 A 34 34 CYS C C 34 175.500 174.324 1.176 1
1 390 . 16 1 1 A 34 34 CYS CA C 34 60.100 57.199 2.901 1
1 391 . 16 1 1 A 34 34 CYS CB C 34 31.200 30.402 0.798 1
1 392 . 16 1 1 A 34 34 CYS N N 34 123.800 114.311 9.489 1
1 393 . 16 1 1 A 35 35 GLY H H 35 8.020 8.395 -0.375 1
1 394 . 16 1 1 A 35 35 GLY HA2 H 35 3.940 4.190 -0.250 1
1 395 . 16 1 1 A 35 35 GLY HA3 H 35 4.240 4.203 0.037 1
1 396 . 16 1 1 A 35 35 GLY C C 35 173.900 174.378 -0.478 1
1 397 . 16 1 1 A 35 35 GLY CA C 35 46.900 45.727 1.173 1
1 398 . 16 1 1 A 35 35 GLY N N 35 108.700 108.426 0.274 1
1 399 . 16 1 1 A 36 36 LEU H H 36 7.430 7.460 -0.030 1
1 400 . 16 1 1 A 36 36 LEU HA H 36 3.930 4.295 -0.365 1
1 410 . 16 1 1 A 36 36 LEU C C 36 173.800 176.020 -2.220 1
1 411 . 16 1 1 A 36 36 LEU CA C 36 56.400 54.934 1.466 1
1 412 . 16 1 1 A 36 36 LEU CB C 36 43.300 42.230 1.070 1
1 416 . 16 1 1 A 36 36 LEU N N 36 121.100 121.807 -0.707 1
1 417 . 16 1 1 A 37 37 ALA H H 37 7.990 8.629 -0.639 1
1 418 . 16 1 1 A 37 37 ALA HA H 37 5.240 5.506 -0.266 1
1 422 . 16 1 1 A 37 37 ALA C C 37 176.700 174.648 2.052 1
1 423 . 16 1 1 A 37 37 ALA CA C 37 49.800 49.899 -0.099 1
1 424 . 16 1 1 A 37 37 ALA CB C 37 22.200 22.622 -0.422 1
1 425 . 16 1 1 A 37 37 ALA N N 37 119.900 121.436 -1.536 1
1 426 . 16 1 1 A 38 38 TYR H H 38 9.740 9.390 0.350 1
1 427 . 16 1 1 A 38 38 TYR HA H 38 4.730 4.941 -0.211 1
1 434 . 16 1 1 A 38 38 TYR CA C 38 55.900 55.336 0.564 1
1 435 . 16 1 1 A 38 38 TYR CB C 38 38.800 41.224 -2.424 1
1 440 . 16 1 1 A 38 38 TYR N N 38 125.300 119.196 6.104 1
1 441 . 16 1 1 A 39 39 PRO HA H 39 4.700 4.726 -0.026 1
1 448 . 16 1 1 A 39 39 PRO C C 39 175.100 175.774 -0.674 1
1 449 . 16 1 1 A 39 39 PRO CA C 39 63.100 62.446 0.654 1
1 450 . 16 1 1 A 39 39 PRO CB C 39 32.900 32.474 0.426 1
1 453 . 16 1 1 A 40 40 VAL H H 40 7.830 8.340 -0.510 1
1 454 . 16 1 1 A 40 40 VAL HA H 40 4.190 4.367 -0.177 1
1 462 . 16 1 1 A 40 40 VAL C C 40 176.300 174.464 1.836 1
1 463 . 16 1 1 A 40 40 VAL CA C 40 62.100 61.506 0.594 1
1 464 . 16 1 1 A 40 40 VAL CB C 40 32.300 32.941 -0.641 1
1 467 . 16 1 1 A 40 40 VAL N N 40 119.300 120.424 -1.124 1
1 468 . 16 1 1 A 41 41 ARG H H 41 8.410 9.235 -0.825 1
1 469 . 16 1 1 A 41 41 ARG HA H 41 4.680 4.676 0.004 1
1 476 . 16 1 1 A 41 41 ARG C C 41 175.900 175.074 0.826 1
1 477 . 16 1 1 A 41 41 ARG CA C 41 55.100 54.600 0.500 1
1 478 . 16 1 1 A 41 41 ARG CB C 41 32.200 31.860 0.340 1
1 481 . 16 1 1 A 41 41 ARG N N 41 127.400 128.156 -0.756 1
1 482 . 16 1 1 A 42 42 ASP H H 42 9.440 9.511 -0.071 1
1 483 . 16 1 1 A 42 42 ASP HA H 42 4.270 4.404 -0.134 1
1 486 . 16 1 1 A 42 42 ASP C C 42 175.800 176.244 -0.444 1
1 487 . 16 1 1 A 42 42 ASP CA C 42 55.400 55.353 0.047 1
1 488 . 16 1 1 A 42 42 ASP CB C 42 39.700 39.645 0.055 1
1 489 . 16 1 1 A 42 42 ASP N N 42 127.200 127.770 -0.570 1
1 490 . 16 1 1 A 43 43 GLY H H 43 8.390 8.563 -0.173 1
1 491 . 16 1 1 A 43 43 GLY HA2 H 43 3.420 3.796 -0.376 1
1 492 . 16 1 1 A 43 43 GLY HA3 H 43 4.100 3.797 0.303 1
1 493 . 16 1 1 A 43 43 GLY C C 43 173.400 173.715 -0.315 1
1 494 . 16 1 1 A 43 43 GLY CA C 43 45.200 45.444 -0.244 1
1 495 . 16 1 1 A 43 43 GLY N N 43 102.300 104.705 -2.405 1
1 496 . 16 1 1 A 44 44 ILE H H 44 7.760 8.254 -0.494 1
1 497 . 16 1 1 A 44 44 ILE HA H 44 4.610 4.370 0.240 1
1 507 . 16 1 1 A 44 44 ILE CA C 44 57.300 57.980 -0.680 1
1 508 . 16 1 1 A 44 44 ILE CB C 44 39.500 38.986 0.514 1
1 512 . 16 1 1 A 44 44 ILE N N 44 121.900 122.379 -0.479 1
1 513 . 16 1 1 A 45 45 PRO HA H 45 4.570 4.404 0.166 1
1 520 . 16 1 1 A 45 45 PRO C C 45 175.900 175.950 -0.050 1
1 521 . 16 1 1 A 45 45 PRO CA C 45 62.600 63.037 -0.437 1
1 522 . 16 1 1 A 45 45 PRO CB C 45 32.400 32.346 0.054 1
1 525 . 16 1 1 A 46 46 VAL H H 46 8.790 8.481 0.309 1
1 526 . 16 1 1 A 46 46 VAL HA H 46 4.050 4.293 -0.243 1
1 534 . 16 1 1 A 46 46 VAL C C 46 175.200 175.071 0.129 1
1 535 . 16 1 1 A 46 46 VAL CA C 46 61.700 61.749 -0.049 1
1 536 . 16 1 1 A 46 46 VAL CB C 46 30.800 31.146 -0.346 1
1 539 . 16 1 1 A 46 46 VAL N N 46 127.200 123.652 3.548 1
1 540 . 16 1 1 A 47 47 LEU H H 47 8.100 9.214 -1.114 1
1 541 . 16 1 1 A 47 47 LEU HA H 47 4.210 4.380 -0.170 1
1 551 . 16 1 1 A 47 47 LEU C C 47 175.600 175.311 0.289 1
1 552 . 16 1 1 A 47 47 LEU CA C 47 52.700 54.409 -1.709 1
1 553 . 16 1 1 A 47 47 LEU CB C 47 39.400 39.743 -0.343 1
1 557 . 16 1 1 A 47 47 LEU N N 47 127.100 129.353 -2.253 1
1 558 . 16 1 1 A 48 48 LEU H H 48 7.370 7.653 -0.283 1
1 559 . 16 1 1 A 48 48 LEU HA H 48 4.830 4.805 0.025 1
1 569 . 16 1 1 A 48 48 LEU C C 48 177.900 176.927 0.973 1
1 570 . 16 1 1 A 48 48 LEU CA C 48 52.800 53.421 -0.621 1
1 571 . 16 1 1 A 48 48 LEU CB C 48 44.200 44.306 -0.106 1
1 575 . 16 1 1 A 48 48 LEU N N 48 121.200 124.653 -3.453 1
1 576 . 16 1 1 A 49 49 VAL H H 49 9.020 8.657 0.363 1
1 577 . 16 1 1 A 49 49 VAL HA H 49 3.790 3.763 0.027 1
1 585 . 16 1 1 A 49 49 VAL C C 49 178.100 177.063 1.037 1
1 586 . 16 1 1 A 49 49 VAL CA C 49 66.700 66.657 0.043 1
1 587 . 16 1 1 A 49 49 VAL CB C 49 31.900 31.918 -0.018 1
1 590 . 16 1 1 A 49 49 VAL N N 49 124.600 123.249 1.351 1
1 591 . 16 1 1 A 50 50 ASP H H 50 8.750 8.126 0.624 1
1 592 . 16 1 1 A 50 50 ASP HA H 50 4.490 4.397 0.093 1
1 595 . 16 1 1 A 50 50 ASP C C 50 176.900 177.662 -0.762 1
1 596 . 16 1 1 A 50 50 ASP CA C 50 56.200 57.584 -1.384 1
1 597 . 16 1 1 A 50 50 ASP CB C 50 40.400 40.172 0.228 1
1 598 . 16 1 1 A 50 50 ASP N N 50 117.300 119.926 -2.626 1
1 599 . 16 1 1 A 51 51 GLU H H 51 7.500 7.901 -0.401 1
1 600 . 16 1 1 A 51 51 GLU HA H 51 4.470 4.292 0.178 1
1 605 . 16 1 1 A 51 51 GLU C C 51 175.300 176.813 -1.513 1
1 606 . 16 1 1 A 51 51 GLU CA C 51 55.600 57.405 -1.805 1
1 607 . 16 1 1 A 51 51 GLU CB C 51 30.300 29.411 0.889 1
1 609 . 16 1 1 A 51 51 GLU N N 51 116.100 117.622 -1.522 1
1 610 . 16 1 1 A 52 52 ALA H H 52 7.370 7.264 0.106 1
1 611 . 16 1 1 A 52 52 ALA HA H 52 4.360 3.971 0.389 1
1 615 . 16 1 1 A 52 52 ALA C C 52 177.100 177.302 -0.202 1
1 616 . 16 1 1 A 52 52 ALA CA C 52 51.900 52.916 -1.016 1
1 617 . 16 1 1 A 52 52 ALA CB C 52 20.900 18.992 1.908 1
1 618 . 16 1 1 A 52 52 ALA N N 52 122.000 122.074 -0.074 1
1 619 . 16 1 1 A 53 53 ARG H H 53 8.880 8.823 0.057 1
1 620 . 16 1 1 A 53 53 ARG HA H 53 4.560 4.634 -0.074 1
1 628 . 16 1 1 A 53 53 ARG C C 53 175.800 175.447 0.353 1
1 629 . 16 1 1 A 53 53 ARG CA C 53 54.900 54.457 0.443 1
1 630 . 16 1 1 A 53 53 ARG CB C 53 32.500 32.744 -0.244 1
1 633 . 16 1 1 A 53 53 ARG N N 53 121.500 122.375 -0.875 1
1 635 . 16 1 1 A 54 54 ARG H H 54 8.780 8.306 0.474 1
1 636 . 16 1 1 A 54 54 ARG HA H 54 4.560 4.645 -0.085 1
1 643 . 16 1 1 A 54 54 ARG CA C 54 54.000 53.811 0.189 1
1 644 . 16 1 1 A 54 54 ARG CB C 54 30.100 29.612 0.488 1
1 647 . 16 1 1 A 54 54 ARG N N 54 127.200 122.305 4.895 1
1 648 . 16 1 1 A 55 55 PRO HA H 55 4.380 4.456 -0.076 1
1 655 . 16 1 1 A 55 55 PRO C C 55 176.000 177.348 -1.348 1
1 656 . 16 1 1 A 55 55 PRO CA C 55 63.500 63.304 0.196 1
1 657 . 16 1 1 A 55 55 PRO CB C 55 32.000 32.307 -0.307 1
1 3 . 17 1 1 A 2 2 PRO HA H 2 4.460 4.497 -0.037 1
1 10 . 17 1 1 A 2 2 PRO C C 2 176.800 177.087 -0.287 1
1 11 . 17 1 1 A 2 2 PRO CA C 2 63.100 62.902 0.198 1
1 12 . 17 1 1 A 2 2 PRO CB C 2 32.100 31.940 0.160 1
1 15 . 17 1 1 A 3 3 LEU H H 3 8.520 8.468 0.052 1
1 16 . 17 1 1 A 3 3 LEU HA H 3 4.260 4.179 0.081 1
1 26 . 17 1 1 A 3 3 LEU C C 3 177.700 177.059 0.641 1
1 27 . 17 1 1 A 3 3 LEU CA C 3 55.400 54.706 0.694 1
1 28 . 17 1 1 A 3 3 LEU CB C 3 42.500 42.552 -0.052 1
1 32 . 17 1 1 A 3 3 LEU N N 3 122.400 123.585 -1.185 1
1 33 . 17 1 1 A 4 4 GLU H H 4 8.430 9.006 -0.576 1
1 34 . 17 1 1 A 4 4 GLU HA H 4 4.200 4.242 -0.042 1
1 39 . 17 1 1 A 4 4 GLU C C 4 176.400 176.849 -0.449 1
1 40 . 17 1 1 A 4 4 GLU CA C 4 56.600 58.441 -1.841 1
1 41 . 17 1 1 A 4 4 GLU CB C 4 30.200 29.033 1.167 1
1 43 . 17 1 1 A 4 4 GLU N N 4 122.100 123.483 -1.383 1
1 44 . 17 1 1 A 5 5 ALA H H 5 8.420 8.548 -0.128 1
1 45 . 17 1 1 A 5 5 ALA HA H 5 4.210 4.306 -0.096 1
1 49 . 17 1 1 A 5 5 ALA C C 5 178.700 177.785 0.915 1
1 50 . 17 1 1 A 5 5 ALA CA C 5 53.500 52.075 1.425 1
1 51 . 17 1 1 A 5 5 ALA CB C 5 19.000 19.429 -0.429 1
1 52 . 17 1 1 A 5 5 ALA N N 5 125.900 129.079 -3.179 1
1 53 . 17 1 1 A 6 6 GLY H H 6 8.530 8.314 0.216 1
1 54 . 17 1 1 A 6 6 GLY HA2 H 6 3.910 3.934 -0.024 1
1 55 . 17 1 1 A 6 6 GLY HA3 H 6 3.950 3.934 0.016 1
1 56 . 17 1 1 A 6 6 GLY C C 6 174.700 174.894 -0.194 1
1 57 . 17 1 1 A 6 6 GLY CA C 6 45.600 46.741 -1.141 1
1 58 . 17 1 1 A 6 6 GLY N N 6 108.100 106.981 1.119 1
1 59 . 17 1 1 A 7 7 LEU H H 7 7.850 8.074 -0.224 1
1 60 . 17 1 1 A 7 7 LEU HA H 7 4.300 4.268 0.032 1
1 70 . 17 1 1 A 7 7 LEU C C 7 177.700 176.011 1.689 1
1 71 . 17 1 1 A 7 7 LEU CA C 7 55.800 54.436 1.364 1
1 72 . 17 1 1 A 7 7 LEU CB C 7 42.500 41.804 0.696 1
1 76 . 17 1 1 A 7 7 LEU N N 7 121.300 120.889 0.411 1
1 77 . 17 1 1 A 8 8 LEU H H 8 8.190 8.765 -0.575 1
1 78 . 17 1 1 A 8 8 LEU HA H 8 4.160 4.207 -0.047 1
1 88 . 17 1 1 A 8 8 LEU C C 8 177.700 177.242 0.458 1
1 89 . 17 1 1 A 8 8 LEU CA C 8 56.100 54.900 1.200 1
1 90 . 17 1 1 A 8 8 LEU CB C 8 42.100 42.960 -0.860 1
1 94 . 17 1 1 A 8 8 LEU N N 8 120.600 124.565 -3.965 1
1 95 . 17 1 1 A 9 9 GLU H H 9 8.150 9.126 -0.976 1
1 96 . 17 1 1 A 9 9 GLU HA H 9 4.240 4.008 0.232 1
1 101 . 17 1 1 A 9 9 GLU C C 9 176.400 176.564 -0.164 1
1 102 . 17 1 1 A 9 9 GLU CA C 9 57.000 57.194 -0.194 1
1 103 . 17 1 1 A 9 9 GLU CB C 9 30.200 28.174 2.026 1
1 105 . 17 1 1 A 9 9 GLU N N 9 118.800 123.071 -4.271 1
1 106 . 17 1 1 A 10 10 ILE H H 10 7.860 8.157 -0.297 1
1 107 . 17 1 1 A 10 10 ILE HA H 10 4.280 4.247 0.033 1
1 117 . 17 1 1 A 10 10 ILE C C 10 176.100 176.154 -0.054 1
1 118 . 17 1 1 A 10 10 ILE CA C 10 60.800 61.415 -0.615 1
1 119 . 17 1 1 A 10 10 ILE CB C 10 38.900 38.791 0.109 1
1 123 . 17 1 1 A 10 10 ILE N N 10 118.600 127.786 -9.186 1
1 124 . 17 1 1 A 11 11 LEU H H 11 8.250 7.497 0.753 1
1 125 . 17 1 1 A 11 11 LEU HA H 11 4.380 4.248 0.132 1
1 135 . 17 1 1 A 11 11 LEU C C 11 175.200 175.868 -0.668 1
1 136 . 17 1 1 A 11 11 LEU CA C 11 54.400 53.856 0.544 1
1 137 . 17 1 1 A 11 11 LEU CB C 11 43.400 42.924 0.476 1
1 141 . 17 1 1 A 11 11 LEU N N 11 125.900 120.678 5.222 1
1 142 . 17 1 1 A 12 12 ALA H H 12 7.920 8.581 -0.661 1
1 143 . 17 1 1 A 12 12 ALA HA H 12 4.620 5.116 -0.496 1
1 147 . 17 1 1 A 12 12 ALA C C 12 175.700 176.047 -0.347 1
1 148 . 17 1 1 A 12 12 ALA CA C 12 50.100 51.094 -0.994 1
1 149 . 17 1 1 A 12 12 ALA CB C 12 22.000 22.967 -0.967 1
1 150 . 17 1 1 A 12 12 ALA N N 12 123.700 123.584 0.116 1
1 151 . 17 1 1 A 13 13 CYS H H 13 9.310 8.436 0.874 1
1 152 . 17 1 1 A 13 13 CYS HA H 13 4.130 4.520 -0.390 1
1 155 . 17 1 1 A 13 13 CYS CA C 13 56.900 58.638 -1.738 1
1 156 . 17 1 1 A 13 13 CYS CB C 13 31.600 26.906 4.694 1
1 157 . 17 1 1 A 13 13 CYS N N 13 124.400 120.405 3.995 1
1 158 . 17 1 1 A 14 14 PRO HA H 14 4.340 4.429 -0.089 1
1 165 . 17 1 1 A 14 14 PRO C C 14 176.300 177.039 -0.739 1
1 166 . 17 1 1 A 14 14 PRO CA C 14 64.200 64.415 -0.215 1
1 167 . 17 1 1 A 14 14 PRO CB C 14 31.800 31.698 0.102 1
1 170 . 17 1 1 A 15 15 ALA H H 15 8.690 8.245 0.445 1
1 171 . 17 1 1 A 15 15 ALA HA H 15 4.340 4.630 -0.290 1
1 175 . 17 1 1 A 15 15 ALA C C 15 178.300 177.317 0.983 1
1 176 . 17 1 1 A 15 15 ALA CA C 15 54.300 52.840 1.460 1
1 177 . 17 1 1 A 15 15 ALA CB C 15 20.100 21.507 -1.407 1
1 178 . 17 1 1 A 15 15 ALA N N 15 123.400 118.764 4.636 1
1 179 . 17 1 1 A 16 16 CYS H H 16 8.290 7.653 0.637 1
1 180 . 17 1 1 A 16 16 CYS HA H 16 4.860 4.735 0.125 1
1 183 . 17 1 1 A 16 16 CYS C C 16 176.700 174.811 1.889 1
1 184 . 17 1 1 A 16 16 CYS CA C 16 58.800 57.833 0.967 1
1 185 . 17 1 1 A 16 16 CYS CB C 16 32.600 29.709 2.891 1
1 186 . 17 1 1 A 16 16 CYS N N 16 117.000 115.922 1.078 1
1 187 . 17 1 1 A 17 17 HIS H H 17 8.300 8.368 -0.068 1
1 188 . 17 1 1 A 17 17 HIS HA H 17 4.440 4.983 -0.543 1
1 193 . 17 1 1 A 17 17 HIS C C 17 173.000 175.082 -2.082 1
1 194 . 17 1 1 A 17 17 HIS CA C 17 57.700 55.160 2.540 1
1 195 . 17 1 1 A 17 17 HIS CB C 17 26.500 30.700 -4.200 1
1 198 . 17 1 1 A 17 17 HIS N N 17 117.800 117.480 0.320 1
1 199 . 17 1 1 A 18 18 ALA H H 18 9.080 7.184 1.896 1
1 200 . 17 1 1 A 18 18 ALA HA H 18 4.640 4.300 0.340 1
1 204 . 17 1 1 A 18 18 ALA CA C 18 52.100 50.334 1.766 1
1 205 . 17 1 1 A 18 18 ALA CB C 18 19.000 20.183 -1.183 1
1 206 . 17 1 1 A 18 18 ALA N N 18 127.600 122.791 4.809 1
1 207 . 17 1 1 A 19 19 PRO HA H 19 4.540 4.663 -0.123 1
1 214 . 17 1 1 A 19 19 PRO C C 19 177.000 175.547 1.453 1
1 215 . 17 1 1 A 19 19 PRO CA C 19 63.300 62.280 1.020 1
1 216 . 17 1 1 A 19 19 PRO CB C 19 32.500 32.886 -0.386 1
1 219 . 17 1 1 A 20 20 LEU H H 20 8.450 8.472 -0.022 1
1 220 . 17 1 1 A 20 20 LEU HA H 20 5.050 5.049 0.001 1
1 230 . 17 1 1 A 20 20 LEU C C 20 176.700 175.460 1.240 1
1 231 . 17 1 1 A 20 20 LEU CA C 20 53.300 53.168 0.132 1
1 232 . 17 1 1 A 20 20 LEU CB C 20 44.800 44.921 -0.121 1
1 236 . 17 1 1 A 20 20 LEU N N 20 121.400 121.326 0.074 1
1 237 . 17 1 1 A 21 21 GLU H H 21 9.030 9.403 -0.373 1
1 238 . 17 1 1 A 21 21 GLU HA H 21 4.660 5.107 -0.447 1
1 243 . 17 1 1 A 21 21 GLU C C 21 175.100 175.353 -0.253 1
1 244 . 17 1 1 A 21 21 GLU CA C 21 54.100 54.562 -0.462 1
1 245 . 17 1 1 A 21 21 GLU CB C 21 33.000 33.160 -0.160 1
1 247 . 17 1 1 A 21 21 GLU N N 21 120.700 122.466 -1.766 1
1 248 . 17 1 1 A 22 22 GLU H H 22 8.950 8.977 -0.027 1
1 249 . 17 1 1 A 22 22 GLU HA H 22 4.630 4.707 -0.077 1
1 254 . 17 1 1 A 22 22 GLU C C 22 176.000 175.434 0.566 1
1 255 . 17 1 1 A 22 22 GLU CA C 22 56.800 56.633 0.167 1
1 256 . 17 1 1 A 22 22 GLU CB C 22 30.200 30.761 -0.561 1
1 258 . 17 1 1 A 22 22 GLU N N 22 125.900 128.575 -2.675 1
1 259 . 17 1 1 A 23 23 ARG H H 23 8.830 8.994 -0.164 1
1 260 . 17 1 1 A 23 23 ARG HA H 23 4.500 4.851 -0.351 1
1 267 . 17 1 1 A 23 23 ARG C C 23 175.000 174.377 0.623 1
1 268 . 17 1 1 A 23 23 ARG CA C 23 55.600 54.553 1.047 1
1 269 . 17 1 1 A 23 23 ARG CB C 23 32.100 33.218 -1.118 1
1 272 . 17 1 1 A 23 23 ARG N N 23 128.000 127.503 0.497 1
1 273 . 17 1 1 A 24 24 ASP H H 24 9.150 8.876 0.274 1
1 274 . 17 1 1 A 24 24 ASP HA H 24 4.180 4.367 -0.187 1
1 277 . 17 1 1 A 24 24 ASP C C 24 174.900 176.518 -1.618 1
1 278 . 17 1 1 A 24 24 ASP CA C 24 56.600 55.069 1.531 1
1 279 . 17 1 1 A 24 24 ASP CB C 24 39.600 39.978 -0.378 1
1 280 . 17 1 1 A 24 24 ASP N N 24 126.000 126.797 -0.797 1
1 281 . 17 1 1 A 25 25 ALA H H 25 8.480 8.032 0.448 1
1 282 . 17 1 1 A 25 25 ALA HA H 25 4.370 4.394 -0.024 1
1 286 . 17 1 1 A 25 25 ALA C C 25 175.700 176.206 -0.506 1
1 287 . 17 1 1 A 25 25 ALA CA C 25 52.600 53.151 -0.551 1
1 288 . 17 1 1 A 25 25 ALA CB C 25 18.100 20.746 -2.646 1
1 289 . 17 1 1 A 25 25 ALA N N 25 122.800 122.249 0.551 1
1 290 . 17 1 1 A 26 26 GLU H H 26 7.770 8.246 -0.476 1
1 291 . 17 1 1 A 26 26 GLU HA H 26 5.100 4.540 0.560 1
1 296 . 17 1 1 A 26 26 GLU C C 26 174.600 173.803 0.797 1
1 297 . 17 1 1 A 26 26 GLU CA C 26 54.700 55.559 -0.859 1
1 298 . 17 1 1 A 26 26 GLU CB C 26 35.100 30.967 4.133 1
1 300 . 17 1 1 A 26 26 GLU N N 26 116.600 114.198 2.402 1
1 301 . 17 1 1 A 27 27 LEU H H 27 9.190 9.161 0.029 1
1 302 . 17 1 1 A 27 27 LEU HA H 27 5.010 5.136 -0.126 1
1 312 . 17 1 1 A 27 27 LEU C C 27 175.500 175.705 -0.205 1
1 313 . 17 1 1 A 27 27 LEU CA C 27 53.200 53.323 -0.123 1
1 314 . 17 1 1 A 27 27 LEU CB C 27 44.400 43.288 1.112 1
1 318 . 17 1 1 A 27 27 LEU N N 27 120.900 120.873 0.027 1
1 319 . 17 1 1 A 28 28 ILE H H 28 9.480 9.620 -0.140 1
1 320 . 17 1 1 A 28 28 ILE HA H 28 4.770 4.501 0.269 1
1 330 . 17 1 1 A 28 28 ILE C C 28 175.300 175.077 0.223 1
1 331 . 17 1 1 A 28 28 ILE CA C 28 60.000 59.798 0.202 1
1 332 . 17 1 1 A 28 28 ILE CB C 28 39.700 39.754 -0.054 1
1 336 . 17 1 1 A 28 28 ILE N N 28 123.300 124.747 -1.447 1
1 337 . 17 1 1 A 29 29 CYS H H 29 9.160 8.978 0.182 1
1 338 . 17 1 1 A 29 29 CYS HA H 29 4.250 4.602 -0.352 1
1 341 . 17 1 1 A 29 29 CYS C C 29 176.700 174.666 2.034 1
1 342 . 17 1 1 A 29 29 CYS CA C 29 62.000 59.283 2.717 1
1 343 . 17 1 1 A 29 29 CYS CB C 29 30.400 28.323 2.077 1
1 344 . 17 1 1 A 29 29 CYS N N 29 130.800 127.234 3.566 1
1 345 . 17 1 1 A 30 30 THR H H 30 7.840 8.976 -1.136 1
1 346 . 17 1 1 A 30 30 THR HA H 30 4.280 4.572 -0.292 1
1 351 . 17 1 1 A 30 30 THR C C 30 175.300 174.640 0.660 1
1 352 . 17 1 1 A 30 30 THR CA C 30 62.400 62.475 -0.075 1
1 353 . 17 1 1 A 30 30 THR CB C 30 70.500 70.048 0.452 1
1 355 . 17 1 1 A 30 30 THR N N 30 118.800 122.340 -3.540 1
1 356 . 17 1 1 A 31 31 GLY H H 31 10.310 8.496 1.814 1
1 357 . 17 1 1 A 31 31 GLY HA2 H 31 3.710 4.140 -0.430 1
1 358 . 17 1 1 A 31 31 GLY HA3 H 31 3.960 4.157 -0.197 1
1 359 . 17 1 1 A 31 31 GLY C C 31 175.900 174.480 1.420 1
1 360 . 17 1 1 A 31 31 GLY CA C 31 45.300 44.134 1.166 1
1 361 . 17 1 1 A 31 31 GLY N N 31 120.100 111.326 8.774 1
1 362 . 17 1 1 A 32 32 GLN H H 32 8.940 8.704 0.236 1
1 363 . 17 1 1 A 32 32 GLN HA H 32 3.990 3.987 0.003 1
1 370 . 17 1 1 A 32 32 GLN C C 32 176.400 176.641 -0.241 1
1 371 . 17 1 1 A 32 32 GLN CA C 32 58.200 58.283 -0.083 1
1 372 . 17 1 1 A 32 32 GLN CB C 32 28.800 28.840 -0.040 1
1 375 . 17 1 1 A 32 32 GLN N N 32 127.200 120.276 6.924 1
1 377 . 17 1 1 A 33 33 ASP H H 33 8.560 8.036 0.524 1
1 378 . 17 1 1 A 33 33 ASP HA H 33 4.610 4.527 0.083 1
1 381 . 17 1 1 A 33 33 ASP C C 33 174.500 178.144 -3.644 1
1 382 . 17 1 1 A 33 33 ASP CA C 33 54.000 55.143 -1.143 1
1 383 . 17 1 1 A 33 33 ASP CB C 33 40.400 40.743 -0.343 1
1 384 . 17 1 1 A 33 33 ASP N N 33 117.200 119.556 -2.356 1
1 385 . 17 1 1 A 34 34 CYS H H 34 7.330 7.693 -0.363 1
1 386 . 17 1 1 A 34 34 CYS HA H 34 4.480 4.296 0.184 1
1 389 . 17 1 1 A 34 34 CYS C C 34 175.500 175.066 0.434 1
1 390 . 17 1 1 A 34 34 CYS CA C 34 60.100 59.184 0.916 1
1 391 . 17 1 1 A 34 34 CYS CB C 34 31.200 27.970 3.230 1
1 392 . 17 1 1 A 34 34 CYS N N 34 123.800 117.363 6.437 1
1 393 . 17 1 1 A 35 35 GLY H H 35 8.020 8.339 -0.319 1
1 394 . 17 1 1 A 35 35 GLY HA2 H 35 3.940 3.939 0.001 1
1 395 . 17 1 1 A 35 35 GLY HA3 H 35 4.240 3.948 0.292 1
1 396 . 17 1 1 A 35 35 GLY C C 35 173.900 173.994 -0.094 1
1 397 . 17 1 1 A 35 35 GLY CA C 35 46.900 45.416 1.484 1
1 398 . 17 1 1 A 35 35 GLY N N 35 108.700 109.597 -0.897 1
1 399 . 17 1 1 A 36 36 LEU H H 36 7.430 7.712 -0.282 1
1 400 . 17 1 1 A 36 36 LEU HA H 36 3.930 4.069 -0.139 1
1 410 . 17 1 1 A 36 36 LEU C C 36 173.800 176.059 -2.259 1
1 411 . 17 1 1 A 36 36 LEU CA C 36 56.400 55.996 0.404 1
1 412 . 17 1 1 A 36 36 LEU CB C 36 43.300 42.158 1.142 1
1 416 . 17 1 1 A 36 36 LEU N N 36 121.100 122.748 -1.648 1
1 417 . 17 1 1 A 37 37 ALA H H 37 7.990 8.853 -0.863 1
1 418 . 17 1 1 A 37 37 ALA HA H 37 5.240 5.150 0.090 1
1 422 . 17 1 1 A 37 37 ALA C C 37 176.700 174.868 1.832 1
1 423 . 17 1 1 A 37 37 ALA CA C 37 49.800 49.746 0.054 1
1 424 . 17 1 1 A 37 37 ALA CB C 37 22.200 21.247 0.953 1
1 425 . 17 1 1 A 37 37 ALA N N 37 119.900 126.001 -6.101 1
1 426 . 17 1 1 A 38 38 TYR H H 38 9.740 9.121 0.619 1
1 427 . 17 1 1 A 38 38 TYR HA H 38 4.730 4.999 -0.269 1
1 434 . 17 1 1 A 38 38 TYR CA C 38 55.900 55.482 0.418 1
1 435 . 17 1 1 A 38 38 TYR CB C 38 38.800 40.020 -1.220 1
1 440 . 17 1 1 A 38 38 TYR N N 38 125.300 120.911 4.389 1
1 441 . 17 1 1 A 39 39 PRO HA H 39 4.700 4.718 -0.018 1
1 448 . 17 1 1 A 39 39 PRO C C 39 175.100 175.378 -0.278 1
1 449 . 17 1 1 A 39 39 PRO CA C 39 63.100 62.326 0.774 1
1 450 . 17 1 1 A 39 39 PRO CB C 39 32.900 32.621 0.279 1
1 453 . 17 1 1 A 40 40 VAL H H 40 7.830 8.453 -0.623 1
1 454 . 17 1 1 A 40 40 VAL HA H 40 4.190 4.622 -0.432 1
1 462 . 17 1 1 A 40 40 VAL C C 40 176.300 174.096 2.204 1
1 463 . 17 1 1 A 40 40 VAL CA C 40 62.100 60.912 1.188 1
1 464 . 17 1 1 A 40 40 VAL CB C 40 32.300 33.225 -0.925 1
1 467 . 17 1 1 A 40 40 VAL N N 40 119.300 119.480 -0.180 1
1 468 . 17 1 1 A 41 41 ARG H H 41 8.410 9.287 -0.877 1
1 469 . 17 1 1 A 41 41 ARG HA H 41 4.680 4.753 -0.073 1
1 476 . 17 1 1 A 41 41 ARG C C 41 175.900 175.425 0.475 1
1 477 . 17 1 1 A 41 41 ARG CA C 41 55.100 54.979 0.121 1
1 478 . 17 1 1 A 41 41 ARG CB C 41 32.200 32.644 -0.444 1
1 481 . 17 1 1 A 41 41 ARG N N 41 127.400 127.352 0.048 1
1 482 . 17 1 1 A 42 42 ASP H H 42 9.440 9.453 -0.013 1
1 483 . 17 1 1 A 42 42 ASP HA H 42 4.270 4.284 -0.014 1
1 486 . 17 1 1 A 42 42 ASP C C 42 175.800 175.366 0.434 1
1 487 . 17 1 1 A 42 42 ASP CA C 42 55.400 55.064 0.336 1
1 488 . 17 1 1 A 42 42 ASP CB C 42 39.700 39.736 -0.036 1
1 489 . 17 1 1 A 42 42 ASP N N 42 127.200 126.862 0.338 1
1 490 . 17 1 1 A 43 43 GLY H H 43 8.390 8.571 -0.181 1
1 491 . 17 1 1 A 43 43 GLY HA2 H 43 3.420 3.811 -0.391 1
1 492 . 17 1 1 A 43 43 GLY HA3 H 43 4.100 3.812 0.288 1
1 493 . 17 1 1 A 43 43 GLY C C 43 173.400 173.634 -0.234 1
1 494 . 17 1 1 A 43 43 GLY CA C 43 45.200 45.417 -0.217 1
1 495 . 17 1 1 A 43 43 GLY N N 43 102.300 103.888 -1.588 1
1 496 . 17 1 1 A 44 44 ILE H H 44 7.760 8.324 -0.564 1
1 497 . 17 1 1 A 44 44 ILE HA H 44 4.610 4.429 0.181 1
1 507 . 17 1 1 A 44 44 ILE CA C 44 57.300 57.766 -0.466 1
1 508 . 17 1 1 A 44 44 ILE CB C 44 39.500 39.644 -0.144 1
1 512 . 17 1 1 A 44 44 ILE N N 44 121.900 122.520 -0.620 1
1 513 . 17 1 1 A 45 45 PRO HA H 45 4.570 4.756 -0.186 1
1 520 . 17 1 1 A 45 45 PRO C C 45 175.900 175.821 0.079 1
1 521 . 17 1 1 A 45 45 PRO CA C 45 62.600 62.462 0.138 1
1 522 . 17 1 1 A 45 45 PRO CB C 45 32.400 32.995 -0.595 1
1 525 . 17 1 1 A 46 46 VAL H H 46 8.790 8.519 0.271 1
1 526 . 17 1 1 A 46 46 VAL HA H 46 4.050 4.246 -0.196 1
1 534 . 17 1 1 A 46 46 VAL C C 46 175.200 175.367 -0.167 1
1 535 . 17 1 1 A 46 46 VAL CA C 46 61.700 61.760 -0.060 1
1 536 . 17 1 1 A 46 46 VAL CB C 46 30.800 30.939 -0.139 1
1 539 . 17 1 1 A 46 46 VAL N N 46 127.200 122.714 4.486 1
1 540 . 17 1 1 A 47 47 LEU H H 47 8.100 8.884 -0.784 1
1 541 . 17 1 1 A 47 47 LEU HA H 47 4.210 4.209 0.001 1
1 551 . 17 1 1 A 47 47 LEU C C 47 175.600 174.828 0.772 1
1 552 . 17 1 1 A 47 47 LEU CA C 47 52.700 54.041 -1.341 1
1 553 . 17 1 1 A 47 47 LEU CB C 47 39.400 40.928 -1.528 1
1 557 . 17 1 1 A 47 47 LEU N N 47 127.100 129.122 -2.022 1
1 558 . 17 1 1 A 48 48 LEU H H 48 7.370 7.180 0.190 1
1 559 . 17 1 1 A 48 48 LEU HA H 48 4.830 4.600 0.230 1
1 569 . 17 1 1 A 48 48 LEU C C 48 177.900 176.868 1.032 1
1 570 . 17 1 1 A 48 48 LEU CA C 48 52.800 52.995 -0.195 1
1 571 . 17 1 1 A 48 48 LEU CB C 48 44.200 43.975 0.225 1
1 575 . 17 1 1 A 48 48 LEU N N 48 121.200 121.337 -0.137 1
1 576 . 17 1 1 A 49 49 VAL H H 49 9.020 8.544 0.476 1
1 577 . 17 1 1 A 49 49 VAL HA H 49 3.790 3.730 0.060 1
1 585 . 17 1 1 A 49 49 VAL C C 49 178.100 177.330 0.770 1
1 586 . 17 1 1 A 49 49 VAL CA C 49 66.700 66.511 0.189 1
1 587 . 17 1 1 A 49 49 VAL CB C 49 31.900 31.904 -0.004 1
1 590 . 17 1 1 A 49 49 VAL N N 49 124.600 122.806 1.794 1
1 591 . 17 1 1 A 50 50 ASP H H 50 8.750 8.336 0.414 1
1 592 . 17 1 1 A 50 50 ASP HA H 50 4.490 4.334 0.156 1
1 595 . 17 1 1 A 50 50 ASP C C 50 176.900 177.821 -0.921 1
1 596 . 17 1 1 A 50 50 ASP CA C 50 56.200 57.749 -1.549 1
1 597 . 17 1 1 A 50 50 ASP CB C 50 40.400 41.862 -1.462 1
1 598 . 17 1 1 A 50 50 ASP N N 50 117.300 120.244 -2.944 1
1 599 . 17 1 1 A 51 51 GLU H H 51 7.500 7.575 -0.075 1
1 600 . 17 1 1 A 51 51 GLU HA H 51 4.470 4.432 0.038 1
1 605 . 17 1 1 A 51 51 GLU C C 51 175.300 176.367 -1.067 1
1 606 . 17 1 1 A 51 51 GLU CA C 51 55.600 56.318 -0.718 1
1 607 . 17 1 1 A 51 51 GLU CB C 51 30.300 30.368 -0.068 1
1 609 . 17 1 1 A 51 51 GLU N N 51 116.100 116.265 -0.165 1
1 610 . 17 1 1 A 52 52 ALA H H 52 7.370 7.359 0.011 1
1 611 . 17 1 1 A 52 52 ALA HA H 52 4.360 4.440 -0.080 1
1 615 . 17 1 1 A 52 52 ALA C C 52 177.100 177.355 -0.255 1
1 616 . 17 1 1 A 52 52 ALA CA C 52 51.900 53.150 -1.250 1
1 617 . 17 1 1 A 52 52 ALA CB C 52 20.900 19.326 1.574 1
1 618 . 17 1 1 A 52 52 ALA N N 52 122.000 123.708 -1.708 1
1 619 . 17 1 1 A 53 53 ARG H H 53 8.880 9.037 -0.157 1
1 620 . 17 1 1 A 53 53 ARG HA H 53 4.560 4.779 -0.219 1
1 628 . 17 1 1 A 53 53 ARG C C 53 175.800 174.381 1.419 1
1 629 . 17 1 1 A 53 53 ARG CA C 53 54.900 54.768 0.132 1
1 630 . 17 1 1 A 53 53 ARG CB C 53 32.500 32.725 -0.225 1
1 633 . 17 1 1 A 53 53 ARG N N 53 121.500 121.759 -0.259 1
1 635 . 17 1 1 A 54 54 ARG H H 54 8.780 8.606 0.174 1
1 636 . 17 1 1 A 54 54 ARG HA H 54 4.560 4.748 -0.188 1
1 643 . 17 1 1 A 54 54 ARG CA C 54 54.000 53.009 0.991 1
1 644 . 17 1 1 A 54 54 ARG CB C 54 30.100 31.242 -1.142 1
1 647 . 17 1 1 A 54 54 ARG N N 54 127.200 124.177 3.023 1
1 648 . 17 1 1 A 55 55 PRO HA H 55 4.380 4.441 -0.061 1
1 655 . 17 1 1 A 55 55 PRO C C 55 176.000 175.247 0.753 1
1 656 . 17 1 1 A 55 55 PRO CA C 55 63.500 63.060 0.440 1
1 657 . 17 1 1 A 55 55 PRO CB C 55 32.000 32.399 -0.399 1
1 3 . 18 1 1 A 2 2 PRO HA H 2 4.460 4.418 0.042 1
1 10 . 18 1 1 A 2 2 PRO C C 2 176.800 176.933 -0.133 1
1 11 . 18 1 1 A 2 2 PRO CA C 2 63.100 64.811 -1.711 1
1 12 . 18 1 1 A 2 2 PRO CB C 2 32.100 31.986 0.114 1
1 15 . 18 1 1 A 3 3 LEU H H 3 8.520 7.534 0.986 1
1 16 . 18 1 1 A 3 3 LEU HA H 3 4.260 4.690 -0.430 1
1 26 . 18 1 1 A 3 3 LEU C C 3 177.700 174.656 3.044 1
1 27 . 18 1 1 A 3 3 LEU CA C 3 55.400 54.422 0.978 1
1 28 . 18 1 1 A 3 3 LEU CB C 3 42.500 44.643 -2.143 1
1 32 . 18 1 1 A 3 3 LEU N N 3 122.400 116.876 5.524 1
1 33 . 18 1 1 A 4 4 GLU H H 4 8.430 8.643 -0.213 1
1 34 . 18 1 1 A 4 4 GLU HA H 4 4.200 4.212 -0.012 1
1 39 . 18 1 1 A 4 4 GLU C C 4 176.400 176.154 0.246 1
1 40 . 18 1 1 A 4 4 GLU CA C 4 56.600 56.900 -0.300 1
1 41 . 18 1 1 A 4 4 GLU CB C 4 30.200 29.799 0.401 1
1 43 . 18 1 1 A 4 4 GLU N N 4 122.100 125.031 -2.931 1
1 44 . 18 1 1 A 5 5 ALA H H 5 8.420 8.767 -0.347 1
1 45 . 18 1 1 A 5 5 ALA HA H 5 4.210 4.364 -0.154 1
1 49 . 18 1 1 A 5 5 ALA C C 5 178.700 178.219 0.481 1
1 50 . 18 1 1 A 5 5 ALA CA C 5 53.500 52.138 1.362 1
1 51 . 18 1 1 A 5 5 ALA CB C 5 19.000 19.511 -0.511 1
1 52 . 18 1 1 A 5 5 ALA N N 5 125.900 125.598 0.302 1
1 53 . 18 1 1 A 6 6 GLY H H 6 8.530 8.487 0.043 1
1 54 . 18 1 1 A 6 6 GLY HA2 H 6 3.910 3.860 0.050 1
1 55 . 18 1 1 A 6 6 GLY HA3 H 6 3.950 3.860 0.090 1
1 56 . 18 1 1 A 6 6 GLY C C 6 174.700 175.025 -0.325 1
1 57 . 18 1 1 A 6 6 GLY CA C 6 45.600 47.030 -1.430 1
1 58 . 18 1 1 A 6 6 GLY N N 6 108.100 109.049 -0.949 1
1 59 . 18 1 1 A 7 7 LEU H H 7 7.850 7.873 -0.023 1
1 60 . 18 1 1 A 7 7 LEU HA H 7 4.300 4.269 0.031 1
1 70 . 18 1 1 A 7 7 LEU C C 7 177.700 177.241 0.459 1
1 71 . 18 1 1 A 7 7 LEU CA C 7 55.800 55.023 0.777 1
1 72 . 18 1 1 A 7 7 LEU CB C 7 42.500 42.376 0.124 1
1 76 . 18 1 1 A 7 7 LEU N N 7 121.300 119.342 1.958 1
1 77 . 18 1 1 A 8 8 LEU H H 8 8.190 8.509 -0.319 1
1 78 . 18 1 1 A 8 8 LEU HA H 8 4.160 4.395 -0.235 1
1 88 . 18 1 1 A 8 8 LEU C C 8 177.700 177.031 0.669 1
1 89 . 18 1 1 A 8 8 LEU CA C 8 56.100 54.927 1.173 1
1 90 . 18 1 1 A 8 8 LEU CB C 8 42.100 41.694 0.406 1
1 94 . 18 1 1 A 8 8 LEU N N 8 120.600 123.822 -3.222 1
1 95 . 18 1 1 A 9 9 GLU H H 9 8.150 9.017 -0.867 1
1 96 . 18 1 1 A 9 9 GLU HA H 9 4.240 4.434 -0.194 1
1 101 . 18 1 1 A 9 9 GLU C C 9 176.400 176.319 0.081 1
1 102 . 18 1 1 A 9 9 GLU CA C 9 57.000 57.145 -0.145 1
1 103 . 18 1 1 A 9 9 GLU CB C 9 30.200 29.790 0.410 1
1 105 . 18 1 1 A 9 9 GLU N N 9 118.800 124.590 -5.790 1
1 106 . 18 1 1 A 10 10 ILE H H 10 7.860 7.490 0.370 1
1 107 . 18 1 1 A 10 10 ILE HA H 10 4.280 3.954 0.326 1
1 117 . 18 1 1 A 10 10 ILE C C 10 176.100 175.916 0.184 1
1 118 . 18 1 1 A 10 10 ILE CA C 10 60.800 62.248 -1.448 1
1 119 . 18 1 1 A 10 10 ILE CB C 10 38.900 38.955 -0.055 1
1 123 . 18 1 1 A 10 10 ILE N N 10 118.600 120.804 -2.204 1
1 124 . 18 1 1 A 11 11 LEU H H 11 8.250 8.627 -0.377 1
1 125 . 18 1 1 A 11 11 LEU HA H 11 4.380 4.483 -0.103 1
1 135 . 18 1 1 A 11 11 LEU C C 11 175.200 176.424 -1.224 1
1 136 . 18 1 1 A 11 11 LEU CA C 11 54.400 54.618 -0.218 1
1 137 . 18 1 1 A 11 11 LEU CB C 11 43.400 42.214 1.186 1
1 141 . 18 1 1 A 11 11 LEU N N 11 125.900 129.747 -3.847 1
1 142 . 18 1 1 A 12 12 ALA H H 12 7.920 8.593 -0.673 1
1 143 . 18 1 1 A 12 12 ALA HA H 12 4.620 4.966 -0.346 1
1 147 . 18 1 1 A 12 12 ALA C C 12 175.700 176.072 -0.372 1
1 148 . 18 1 1 A 12 12 ALA CA C 12 50.100 51.230 -1.130 1
1 149 . 18 1 1 A 12 12 ALA CB C 12 22.000 23.066 -1.066 1
1 150 . 18 1 1 A 12 12 ALA N N 12 123.700 123.085 0.615 1
1 151 . 18 1 1 A 13 13 CYS H H 13 9.310 8.531 0.779 1
1 152 . 18 1 1 A 13 13 CYS HA H 13 4.130 4.804 -0.674 1
1 155 . 18 1 1 A 13 13 CYS CA C 13 56.900 57.686 -0.786 1
1 156 . 18 1 1 A 13 13 CYS CB C 13 31.600 28.246 3.354 1
1 157 . 18 1 1 A 13 13 CYS N N 13 124.400 119.624 4.776 1
1 158 . 18 1 1 A 14 14 PRO HA H 14 4.340 4.343 -0.003 1
1 165 . 18 1 1 A 14 14 PRO C C 14 176.300 179.005 -2.705 1
1 166 . 18 1 1 A 14 14 PRO CA C 14 64.200 66.070 -1.870 1
1 167 . 18 1 1 A 14 14 PRO CB C 14 31.800 31.306 0.494 1
1 170 . 18 1 1 A 15 15 ALA H H 15 8.690 8.442 0.248 1
1 171 . 18 1 1 A 15 15 ALA HA H 15 4.340 4.109 0.231 1
1 175 . 18 1 1 A 15 15 ALA C C 15 178.300 177.864 0.436 1
1 176 . 18 1 1 A 15 15 ALA CA C 15 54.300 55.276 -0.976 1
1 177 . 18 1 1 A 15 15 ALA CB C 15 20.100 18.611 1.489 1
1 178 . 18 1 1 A 15 15 ALA N N 15 123.400 118.840 4.560 1
1 179 . 18 1 1 A 16 16 CYS H H 16 8.290 7.800 0.490 1
1 180 . 18 1 1 A 16 16 CYS HA H 16 4.860 4.747 0.113 1
1 183 . 18 1 1 A 16 16 CYS C C 16 176.700 173.892 2.808 1
1 184 . 18 1 1 A 16 16 CYS CA C 16 58.800 57.194 1.606 1
1 185 . 18 1 1 A 16 16 CYS CB C 16 32.600 30.573 2.027 1
1 186 . 18 1 1 A 16 16 CYS N N 16 117.000 114.922 2.078 1
1 187 . 18 1 1 A 17 17 HIS H H 17 8.300 8.504 -0.204 1
1 188 . 18 1 1 A 17 17 HIS HA H 17 4.440 5.622 -1.182 1
1 193 . 18 1 1 A 17 17 HIS C C 17 173.000 173.878 -0.878 1
1 194 . 18 1 1 A 17 17 HIS CA C 17 57.700 53.748 3.952 1
1 195 . 18 1 1 A 17 17 HIS CB C 17 26.500 31.416 -4.916 1
1 198 . 18 1 1 A 17 17 HIS N N 17 117.800 117.864 -0.064 1
1 199 . 18 1 1 A 18 18 ALA H H 18 9.080 8.723 0.357 1
1 200 . 18 1 1 A 18 18 ALA HA H 18 4.640 4.709 -0.069 1
1 204 . 18 1 1 A 18 18 ALA CA C 18 52.100 50.859 1.241 1
1 205 . 18 1 1 A 18 18 ALA CB C 18 19.000 22.052 -3.052 1
1 206 . 18 1 1 A 18 18 ALA N N 18 127.600 122.789 4.811 1
1 207 . 18 1 1 A 19 19 PRO HA H 19 4.540 4.638 -0.098 1
1 214 . 18 1 1 A 19 19 PRO C C 19 177.000 175.347 1.653 1
1 215 . 18 1 1 A 19 19 PRO CA C 19 63.300 62.579 0.721 1
1 216 . 18 1 1 A 19 19 PRO CB C 19 32.500 33.096 -0.596 1
1 219 . 18 1 1 A 20 20 LEU H H 20 8.450 8.467 -0.017 1
1 220 . 18 1 1 A 20 20 LEU HA H 20 5.050 5.405 -0.355 1
1 230 . 18 1 1 A 20 20 LEU C C 20 176.700 175.667 1.033 1
1 231 . 18 1 1 A 20 20 LEU CA C 20 53.300 53.048 0.252 1
1 232 . 18 1 1 A 20 20 LEU CB C 20 44.800 45.503 -0.703 1
1 236 . 18 1 1 A 20 20 LEU N N 20 121.400 121.361 0.039 1
1 237 . 18 1 1 A 21 21 GLU H H 21 9.030 9.409 -0.379 1
1 238 . 18 1 1 A 21 21 GLU HA H 21 4.660 4.892 -0.232 1
1 243 . 18 1 1 A 21 21 GLU C C 21 175.100 175.903 -0.803 1
1 244 . 18 1 1 A 21 21 GLU CA C 21 54.100 54.551 -0.451 1
1 245 . 18 1 1 A 21 21 GLU CB C 21 33.000 31.898 1.102 1
1 247 . 18 1 1 A 21 21 GLU N N 21 120.700 121.582 -0.882 1
1 248 . 18 1 1 A 22 22 GLU H H 22 8.950 8.617 0.333 1
1 249 . 18 1 1 A 22 22 GLU HA H 22 4.630 4.811 -0.181 1
1 254 . 18 1 1 A 22 22 GLU C C 22 176.000 175.711 0.289 1
1 255 . 18 1 1 A 22 22 GLU CA C 22 56.800 55.988 0.812 1
1 256 . 18 1 1 A 22 22 GLU CB C 22 30.200 30.399 -0.199 1
1 258 . 18 1 1 A 22 22 GLU N N 22 125.900 124.965 0.935 1
1 259 . 18 1 1 A 23 23 ARG H H 23 8.830 8.927 -0.097 1
1 260 . 18 1 1 A 23 23 ARG HA H 23 4.500 4.710 -0.210 1
1 267 . 18 1 1 A 23 23 ARG C C 23 175.000 174.400 0.600 1
1 268 . 18 1 1 A 23 23 ARG CA C 23 55.600 54.955 0.645 1
1 269 . 18 1 1 A 23 23 ARG CB C 23 32.100 32.582 -0.482 1
1 272 . 18 1 1 A 23 23 ARG N N 23 128.000 120.882 7.118 1
1 273 . 18 1 1 A 24 24 ASP H H 24 9.150 9.316 -0.166 1
1 274 . 18 1 1 A 24 24 ASP HA H 24 4.180 4.322 -0.142 1
1 277 . 18 1 1 A 24 24 ASP C C 24 174.900 175.290 -0.390 1
1 278 . 18 1 1 A 24 24 ASP CA C 24 56.600 55.534 1.066 1
1 279 . 18 1 1 A 24 24 ASP CB C 24 39.600 39.134 0.466 1
1 280 . 18 1 1 A 24 24 ASP N N 24 126.000 118.285 7.715 1
1 281 . 18 1 1 A 25 25 ALA H H 25 8.480 8.353 0.127 1
1 282 . 18 1 1 A 25 25 ALA HA H 25 4.370 3.884 0.486 1
1 286 . 18 1 1 A 25 25 ALA C C 25 175.700 175.862 -0.162 1
1 287 . 18 1 1 A 25 25 ALA CA C 25 52.600 53.574 -0.974 1
1 288 . 18 1 1 A 25 25 ALA CB C 25 18.100 17.873 0.227 1
1 289 . 18 1 1 A 25 25 ALA N N 25 122.800 113.584 9.216 1
1 290 . 18 1 1 A 26 26 GLU H H 26 7.770 7.922 -0.152 1
1 291 . 18 1 1 A 26 26 GLU HA H 26 5.100 4.883 0.217 1
1 296 . 18 1 1 A 26 26 GLU C C 26 174.600 174.431 0.169 1
1 297 . 18 1 1 A 26 26 GLU CA C 26 54.700 54.964 -0.264 1
1 298 . 18 1 1 A 26 26 GLU CB C 26 35.100 32.306 2.794 1
1 300 . 18 1 1 A 26 26 GLU N N 26 116.600 112.360 4.240 1
1 301 . 18 1 1 A 27 27 LEU H H 27 9.190 9.561 -0.371 1
1 302 . 18 1 1 A 27 27 LEU HA H 27 5.010 5.342 -0.332 1
1 312 . 18 1 1 A 27 27 LEU C C 27 175.500 175.580 -0.080 1
1 313 . 18 1 1 A 27 27 LEU CA C 27 53.200 53.400 -0.200 1
1 314 . 18 1 1 A 27 27 LEU CB C 27 44.400 43.200 1.200 1
1 318 . 18 1 1 A 27 27 LEU N N 27 120.900 123.372 -2.472 1
1 319 . 18 1 1 A 28 28 ILE H H 28 9.480 9.661 -0.181 1
1 320 . 18 1 1 A 28 28 ILE HA H 28 4.770 4.732 0.038 1
1 330 . 18 1 1 A 28 28 ILE C C 28 175.300 175.734 -0.434 1
1 331 . 18 1 1 A 28 28 ILE CA C 28 60.000 60.195 -0.195 1
1 332 . 18 1 1 A 28 28 ILE CB C 28 39.700 39.107 0.593 1
1 336 . 18 1 1 A 28 28 ILE N N 28 123.300 125.350 -2.050 1
1 337 . 18 1 1 A 29 29 CYS H H 29 9.160 9.178 -0.018 1
1 338 . 18 1 1 A 29 29 CYS HA H 29 4.250 4.714 -0.464 1
1 341 . 18 1 1 A 29 29 CYS C C 29 176.700 174.970 1.730 1
1 342 . 18 1 1 A 29 29 CYS CA C 29 62.000 59.061 2.939 1
1 343 . 18 1 1 A 29 29 CYS CB C 29 30.400 27.654 2.746 1
1 344 . 18 1 1 A 29 29 CYS N N 29 130.800 126.711 4.089 1
1 345 . 18 1 1 A 30 30 THR H H 30 7.840 8.918 -1.078 1
1 346 . 18 1 1 A 30 30 THR HA H 30 4.280 4.723 -0.443 1
1 351 . 18 1 1 A 30 30 THR C C 30 175.300 174.009 1.291 1
1 352 . 18 1 1 A 30 30 THR CA C 30 62.400 61.406 0.994 1
1 353 . 18 1 1 A 30 30 THR CB C 30 70.500 70.527 -0.027 1
1 355 . 18 1 1 A 30 30 THR N N 30 118.800 116.671 2.129 1
1 356 . 18 1 1 A 31 31 GLY H H 31 10.310 8.440 1.870 1
1 357 . 18 1 1 A 31 31 GLY HA2 H 31 3.710 4.122 -0.412 1
1 358 . 18 1 1 A 31 31 GLY HA3 H 31 3.960 4.154 -0.194 1
1 359 . 18 1 1 A 31 31 GLY C C 31 175.900 174.625 1.275 1
1 360 . 18 1 1 A 31 31 GLY CA C 31 45.300 44.609 0.691 1
1 361 . 18 1 1 A 31 31 GLY N N 31 120.100 109.277 10.823 1
1 362 . 18 1 1 A 32 32 GLN H H 32 8.940 8.678 0.262 1
1 363 . 18 1 1 A 32 32 GLN HA H 32 3.990 3.958 0.032 1
1 370 . 18 1 1 A 32 32 GLN C C 32 176.400 177.262 -0.862 1
1 371 . 18 1 1 A 32 32 GLN CA C 32 58.200 58.429 -0.229 1
1 372 . 18 1 1 A 32 32 GLN CB C 32 28.800 28.582 0.218 1
1 375 . 18 1 1 A 32 32 GLN N N 32 127.200 120.557 6.643 1
1 377 . 18 1 1 A 33 33 ASP H H 33 8.560 7.929 0.631 1
1 378 . 18 1 1 A 33 33 ASP HA H 33 4.610 4.548 0.062 1
1 381 . 18 1 1 A 33 33 ASP C C 33 174.500 175.783 -1.283 1
1 382 . 18 1 1 A 33 33 ASP CA C 33 54.000 55.426 -1.426 1
1 383 . 18 1 1 A 33 33 ASP CB C 33 40.400 41.025 -0.625 1
1 384 . 18 1 1 A 33 33 ASP N N 33 117.200 118.298 -1.098 1
1 385 . 18 1 1 A 34 34 CYS H H 34 7.330 7.721 -0.391 1
1 386 . 18 1 1 A 34 34 CYS HA H 34 4.480 4.654 -0.174 1
1 389 . 18 1 1 A 34 34 CYS C C 34 175.500 173.622 1.878 1
1 390 . 18 1 1 A 34 34 CYS CA C 34 60.100 57.621 2.479 1
1 391 . 18 1 1 A 34 34 CYS CB C 34 31.200 28.053 3.147 1
1 392 . 18 1 1 A 34 34 CYS N N 34 123.800 119.396 4.404 1
1 393 . 18 1 1 A 35 35 GLY H H 35 8.020 8.612 -0.592 1
1 394 . 18 1 1 A 35 35 GLY HA2 H 35 3.940 4.066 -0.126 1
1 395 . 18 1 1 A 35 35 GLY HA3 H 35 4.240 4.073 0.167 1
1 396 . 18 1 1 A 35 35 GLY C C 35 173.900 173.256 0.644 1
1 397 . 18 1 1 A 35 35 GLY CA C 35 46.900 44.372 2.528 1
1 398 . 18 1 1 A 35 35 GLY N N 35 108.700 113.920 -5.220 1
1 399 . 18 1 1 A 36 36 LEU H H 36 7.430 8.668 -1.238 1
1 400 . 18 1 1 A 36 36 LEU HA H 36 3.930 4.295 -0.365 1
1 410 . 18 1 1 A 36 36 LEU C C 36 173.800 175.314 -1.514 1
1 411 . 18 1 1 A 36 36 LEU CA C 36 56.400 56.639 -0.239 1
1 412 . 18 1 1 A 36 36 LEU CB C 36 43.300 40.865 2.435 1
1 416 . 18 1 1 A 36 36 LEU N N 36 121.100 119.983 1.117 1
1 417 . 18 1 1 A 37 37 ALA H H 37 7.990 8.928 -0.938 1
1 418 . 18 1 1 A 37 37 ALA HA H 37 5.240 5.281 -0.041 1
1 422 . 18 1 1 A 37 37 ALA C C 37 176.700 175.086 1.614 1
1 423 . 18 1 1 A 37 37 ALA CA C 37 49.800 50.863 -1.063 1
1 424 . 18 1 1 A 37 37 ALA CB C 37 22.200 23.207 -1.007 1
1 425 . 18 1 1 A 37 37 ALA N N 37 119.900 121.590 -1.690 1
1 426 . 18 1 1 A 38 38 TYR H H 38 9.740 9.467 0.273 1
1 427 . 18 1 1 A 38 38 TYR HA H 38 4.730 4.990 -0.260 1
1 434 . 18 1 1 A 38 38 TYR CA C 38 55.900 55.609 0.291 1
1 435 . 18 1 1 A 38 38 TYR CB C 38 38.800 40.701 -1.901 1
1 440 . 18 1 1 A 38 38 TYR N N 38 125.300 118.347 6.953 1
1 441 . 18 1 1 A 39 39 PRO HA H 39 4.700 4.709 -0.009 1
1 448 . 18 1 1 A 39 39 PRO C C 39 175.100 175.245 -0.145 1
1 449 . 18 1 1 A 39 39 PRO CA C 39 63.100 62.471 0.629 1
1 450 . 18 1 1 A 39 39 PRO CB C 39 32.900 32.660 0.240 1
1 453 . 18 1 1 A 40 40 VAL H H 40 7.830 8.192 -0.362 1
1 454 . 18 1 1 A 40 40 VAL HA H 40 4.190 4.612 -0.422 1
1 462 . 18 1 1 A 40 40 VAL C C 40 176.300 174.036 2.264 1
1 463 . 18 1 1 A 40 40 VAL CA C 40 62.100 60.900 1.200 1
1 464 . 18 1 1 A 40 40 VAL CB C 40 32.300 33.466 -1.166 1
1 467 . 18 1 1 A 40 40 VAL N N 40 119.300 120.486 -1.186 1
1 468 . 18 1 1 A 41 41 ARG H H 41 8.410 9.285 -0.875 1
1 469 . 18 1 1 A 41 41 ARG HA H 41 4.680 4.746 -0.066 1
1 476 . 18 1 1 A 41 41 ARG C C 41 175.900 175.558 0.342 1
1 477 . 18 1 1 A 41 41 ARG CA C 41 55.100 54.717 0.383 1
1 478 . 18 1 1 A 41 41 ARG CB C 41 32.200 32.415 -0.215 1
1 481 . 18 1 1 A 41 41 ARG N N 41 127.400 127.396 0.004 1
1 482 . 18 1 1 A 42 42 ASP H H 42 9.440 9.429 0.011 1
1 483 . 18 1 1 A 42 42 ASP HA H 42 4.270 4.283 -0.013 1
1 486 . 18 1 1 A 42 42 ASP C C 42 175.800 175.310 0.490 1
1 487 . 18 1 1 A 42 42 ASP CA C 42 55.400 55.069 0.331 1
1 488 . 18 1 1 A 42 42 ASP CB C 42 39.700 39.759 -0.059 1
1 489 . 18 1 1 A 42 42 ASP N N 42 127.200 127.034 0.166 1
1 490 . 18 1 1 A 43 43 GLY H H 43 8.390 8.459 -0.069 1
1 491 . 18 1 1 A 43 43 GLY HA2 H 43 3.420 3.830 -0.410 1
1 492 . 18 1 1 A 43 43 GLY HA3 H 43 4.100 3.832 0.268 1
1 493 . 18 1 1 A 43 43 GLY C C 43 173.400 173.683 -0.283 1
1 494 . 18 1 1 A 43 43 GLY CA C 43 45.200 45.368 -0.168 1
1 495 . 18 1 1 A 43 43 GLY N N 43 102.300 104.244 -1.944 1
1 496 . 18 1 1 A 44 44 ILE H H 44 7.760 8.232 -0.472 1
1 497 . 18 1 1 A 44 44 ILE HA H 44 4.610 4.405 0.205 1
1 507 . 18 1 1 A 44 44 ILE CA C 44 57.300 57.971 -0.671 1
1 508 . 18 1 1 A 44 44 ILE CB C 44 39.500 39.312 0.188 1
1 512 . 18 1 1 A 44 44 ILE N N 44 121.900 122.782 -0.882 1
1 513 . 18 1 1 A 45 45 PRO HA H 45 4.570 4.672 -0.102 1
1 520 . 18 1 1 A 45 45 PRO C C 45 175.900 176.075 -0.175 1
1 521 . 18 1 1 A 45 45 PRO CA C 45 62.600 62.584 0.016 1
1 522 . 18 1 1 A 45 45 PRO CB C 45 32.400 32.632 -0.232 1
1 525 . 18 1 1 A 46 46 VAL H H 46 8.790 8.661 0.129 1
1 526 . 18 1 1 A 46 46 VAL HA H 46 4.050 4.200 -0.150 1
1 534 . 18 1 1 A 46 46 VAL C C 46 175.200 175.795 -0.595 1
1 535 . 18 1 1 A 46 46 VAL CA C 46 61.700 61.750 -0.050 1
1 536 . 18 1 1 A 46 46 VAL CB C 46 30.800 31.841 -1.041 1
1 539 . 18 1 1 A 46 46 VAL N N 46 127.200 121.924 5.276 1
1 540 . 18 1 1 A 47 47 LEU H H 47 8.100 9.010 -0.910 1
1 541 . 18 1 1 A 47 47 LEU HA H 47 4.210 4.424 -0.214 1
1 551 . 18 1 1 A 47 47 LEU C C 47 175.600 175.020 0.580 1
1 552 . 18 1 1 A 47 47 LEU CA C 47 52.700 53.863 -1.163 1
1 553 . 18 1 1 A 47 47 LEU CB C 47 39.400 41.729 -2.329 1
1 557 . 18 1 1 A 47 47 LEU N N 47 127.100 127.150 -0.050 1
1 558 . 18 1 1 A 48 48 LEU H H 48 7.370 7.377 -0.007 1
1 559 . 18 1 1 A 48 48 LEU HA H 48 4.830 4.620 0.210 1
1 569 . 18 1 1 A 48 48 LEU C C 48 177.900 177.175 0.725 1
1 570 . 18 1 1 A 48 48 LEU CA C 48 52.800 53.350 -0.550 1
1 571 . 18 1 1 A 48 48 LEU CB C 48 44.200 43.594 0.606 1
1 575 . 18 1 1 A 48 48 LEU N N 48 121.200 121.681 -0.481 1
1 576 . 18 1 1 A 49 49 VAL H H 49 9.020 8.579 0.441 1
1 577 . 18 1 1 A 49 49 VAL HA H 49 3.790 3.823 -0.033 1
1 585 . 18 1 1 A 49 49 VAL C C 49 178.100 177.243 0.857 1
1 586 . 18 1 1 A 49 49 VAL CA C 49 66.700 66.677 0.023 1
1 587 . 18 1 1 A 49 49 VAL CB C 49 31.900 31.928 -0.028 1
1 590 . 18 1 1 A 49 49 VAL N N 49 124.600 122.609 1.991 1
1 591 . 18 1 1 A 50 50 ASP H H 50 8.750 8.109 0.641 1
1 592 . 18 1 1 A 50 50 ASP HA H 50 4.490 4.361 0.129 1
1 595 . 18 1 1 A 50 50 ASP C C 50 176.900 177.583 -0.683 1
1 596 . 18 1 1 A 50 50 ASP CA C 50 56.200 57.636 -1.436 1
1 597 . 18 1 1 A 50 50 ASP CB C 50 40.400 40.388 0.012 1
1 598 . 18 1 1 A 50 50 ASP N N 50 117.300 119.499 -2.199 1
1 599 . 18 1 1 A 51 51 GLU H H 51 7.500 7.407 0.093 1
1 600 . 18 1 1 A 51 51 GLU HA H 51 4.470 4.494 -0.024 1
1 605 . 18 1 1 A 51 51 GLU C C 51 175.300 176.238 -0.938 1
1 606 . 18 1 1 A 51 51 GLU CA C 51 55.600 56.186 -0.586 1
1 607 . 18 1 1 A 51 51 GLU CB C 51 30.300 30.727 -0.427 1
1 609 . 18 1 1 A 51 51 GLU N N 51 116.100 117.151 -1.051 1
1 610 . 18 1 1 A 52 52 ALA H H 52 7.370 7.826 -0.456 1
1 611 . 18 1 1 A 52 52 ALA HA H 52 4.360 4.038 0.322 1
1 615 . 18 1 1 A 52 52 ALA C C 52 177.100 176.769 0.331 1
1 616 . 18 1 1 A 52 52 ALA CA C 52 51.900 52.932 -1.032 1
1 617 . 18 1 1 A 52 52 ALA CB C 52 20.900 19.046 1.854 1
1 618 . 18 1 1 A 52 52 ALA N N 52 122.000 123.975 -1.975 1
1 619 . 18 1 1 A 53 53 ARG H H 53 8.880 8.882 -0.002 1
1 620 . 18 1 1 A 53 53 ARG HA H 53 4.560 4.975 -0.415 1
1 628 . 18 1 1 A 53 53 ARG C C 53 175.800 175.307 0.493 1
1 629 . 18 1 1 A 53 53 ARG CA C 53 54.900 54.023 0.877 1
1 630 . 18 1 1 A 53 53 ARG CB C 53 32.500 33.916 -1.416 1
1 633 . 18 1 1 A 53 53 ARG N N 53 121.500 122.312 -0.812 1
1 635 . 18 1 1 A 54 54 ARG H H 54 8.780 8.239 0.541 1
1 636 . 18 1 1 A 54 54 ARG HA H 54 4.560 4.611 -0.051 1
1 643 . 18 1 1 A 54 54 ARG CA C 54 54.000 53.994 0.006 1
1 644 . 18 1 1 A 54 54 ARG CB C 54 30.100 30.008 0.092 1
1 647 . 18 1 1 A 54 54 ARG N N 54 127.200 125.305 1.895 1
1 648 . 18 1 1 A 55 55 PRO HA H 55 4.380 4.286 0.094 1
1 655 . 18 1 1 A 55 55 PRO C C 55 176.000 177.305 -1.305 1
1 656 . 18 1 1 A 55 55 PRO CA C 55 63.500 63.591 -0.091 1
1 657 . 18 1 1 A 55 55 PRO CB C 55 32.000 32.005 -0.005 1
1 3 . 19 1 1 A 2 2 PRO HA H 2 4.460 4.662 -0.202 1
1 10 . 19 1 1 A 2 2 PRO C C 2 176.800 177.709 -0.909 1
1 11 . 19 1 1 A 2 2 PRO CA C 2 63.100 62.425 0.675 1
1 12 . 19 1 1 A 2 2 PRO CB C 2 32.100 31.771 0.329 1
1 15 . 19 1 1 A 3 3 LEU H H 3 8.520 8.664 -0.144 1
1 16 . 19 1 1 A 3 3 LEU HA H 3 4.260 4.236 0.024 1
1 26 . 19 1 1 A 3 3 LEU C C 3 177.700 176.346 1.354 1
1 27 . 19 1 1 A 3 3 LEU CA C 3 55.400 57.128 -1.728 1
1 28 . 19 1 1 A 3 3 LEU CB C 3 42.500 42.746 -0.246 1
1 32 . 19 1 1 A 3 3 LEU N N 3 122.400 125.642 -3.242 1
1 33 . 19 1 1 A 4 4 GLU H H 4 8.430 7.607 0.823 1
1 34 . 19 1 1 A 4 4 GLU HA H 4 4.200 4.606 -0.406 1
1 39 . 19 1 1 A 4 4 GLU C C 4 176.400 174.785 1.615 1
1 40 . 19 1 1 A 4 4 GLU CA C 4 56.600 55.426 1.174 1
1 41 . 19 1 1 A 4 4 GLU CB C 4 30.200 32.405 -2.205 1
1 43 . 19 1 1 A 4 4 GLU N N 4 122.100 113.224 8.876 1
1 44 . 19 1 1 A 5 5 ALA H H 5 8.420 8.516 -0.096 1
1 45 . 19 1 1 A 5 5 ALA HA H 5 4.210 4.297 -0.087 1
1 49 . 19 1 1 A 5 5 ALA C C 5 178.700 177.268 1.432 1
1 50 . 19 1 1 A 5 5 ALA CA C 5 53.500 51.778 1.722 1
1 51 . 19 1 1 A 5 5 ALA CB C 5 19.000 18.100 0.900 1
1 52 . 19 1 1 A 5 5 ALA N N 5 125.900 124.459 1.441 1
1 53 . 19 1 1 A 6 6 GLY H H 6 8.530 8.565 -0.035 1
1 54 . 19 1 1 A 6 6 GLY HA2 H 6 3.910 4.010 -0.100 1
1 55 . 19 1 1 A 6 6 GLY HA3 H 6 3.950 4.011 -0.061 1
1 56 . 19 1 1 A 6 6 GLY C C 6 174.700 172.963 1.737 1
1 57 . 19 1 1 A 6 6 GLY CA C 6 45.600 45.187 0.413 1
1 58 . 19 1 1 A 6 6 GLY N N 6 108.100 110.239 -2.139 1
1 59 . 19 1 1 A 7 7 LEU H H 7 7.850 8.631 -0.781 1
1 60 . 19 1 1 A 7 7 LEU HA H 7 4.300 4.466 -0.166 1
1 70 . 19 1 1 A 7 7 LEU C C 7 177.700 177.038 0.662 1
1 71 . 19 1 1 A 7 7 LEU CA C 7 55.800 54.450 1.350 1
1 72 . 19 1 1 A 7 7 LEU CB C 7 42.500 41.518 0.982 1
1 76 . 19 1 1 A 7 7 LEU N N 7 121.300 122.658 -1.358 1
1 77 . 19 1 1 A 8 8 LEU H H 8 8.190 9.047 -0.857 1
1 78 . 19 1 1 A 8 8 LEU HA H 8 4.160 4.070 0.090 1
1 88 . 19 1 1 A 8 8 LEU C C 8 177.700 176.617 1.083 1
1 89 . 19 1 1 A 8 8 LEU CA C 8 56.100 58.472 -2.372 1
1 90 . 19 1 1 A 8 8 LEU CB C 8 42.100 42.340 -0.240 1
1 94 . 19 1 1 A 8 8 LEU N N 8 120.600 127.157 -6.557 1
1 95 . 19 1 1 A 9 9 GLU H H 9 8.150 8.080 0.070 1
1 96 . 19 1 1 A 9 9 GLU HA H 9 4.240 4.014 0.226 1
1 101 . 19 1 1 A 9 9 GLU C C 9 176.400 175.837 0.563 1
1 102 . 19 1 1 A 9 9 GLU CA C 9 57.000 57.177 -0.177 1
1 103 . 19 1 1 A 9 9 GLU CB C 9 30.200 28.382 1.818 1
1 105 . 19 1 1 A 9 9 GLU N N 9 118.800 118.378 0.422 1
1 106 . 19 1 1 A 10 10 ILE H H 10 7.860 8.315 -0.455 1
1 107 . 19 1 1 A 10 10 ILE HA H 10 4.280 4.237 0.043 1
1 117 . 19 1 1 A 10 10 ILE C C 10 176.100 176.179 -0.079 1
1 118 . 19 1 1 A 10 10 ILE CA C 10 60.800 61.643 -0.843 1
1 119 . 19 1 1 A 10 10 ILE CB C 10 38.900 38.725 0.175 1
1 123 . 19 1 1 A 10 10 ILE N N 10 118.600 127.473 -8.873 1
1 124 . 19 1 1 A 11 11 LEU H H 11 8.250 8.405 -0.155 1
1 125 . 19 1 1 A 11 11 LEU HA H 11 4.380 4.359 0.021 1
1 135 . 19 1 1 A 11 11 LEU C C 11 175.200 176.707 -1.507 1
1 136 . 19 1 1 A 11 11 LEU CA C 11 54.400 55.343 -0.943 1
1 137 . 19 1 1 A 11 11 LEU CB C 11 43.400 42.137 1.263 1
1 141 . 19 1 1 A 11 11 LEU N N 11 125.900 127.274 -1.374 1
1 142 . 19 1 1 A 12 12 ALA H H 12 7.920 8.721 -0.801 1
1 143 . 19 1 1 A 12 12 ALA HA H 12 4.620 4.727 -0.107 1
1 147 . 19 1 1 A 12 12 ALA C C 12 175.700 175.773 -0.073 1
1 148 . 19 1 1 A 12 12 ALA CA C 12 50.100 51.144 -1.044 1
1 149 . 19 1 1 A 12 12 ALA CB C 12 22.000 23.081 -1.081 1
1 150 . 19 1 1 A 12 12 ALA N N 12 123.700 124.544 -0.844 1
1 151 . 19 1 1 A 13 13 CYS H H 13 9.310 8.261 1.049 1
1 152 . 19 1 1 A 13 13 CYS HA H 13 4.130 4.501 -0.371 1
1 155 . 19 1 1 A 13 13 CYS CA C 13 56.900 58.361 -1.461 1
1 156 . 19 1 1 A 13 13 CYS CB C 13 31.600 26.594 5.006 1
1 157 . 19 1 1 A 13 13 CYS N N 13 124.400 118.687 5.713 1
1 158 . 19 1 1 A 14 14 PRO HA H 14 4.340 4.575 -0.235 1
1 165 . 19 1 1 A 14 14 PRO C C 14 176.300 176.894 -0.594 1
1 166 . 19 1 1 A 14 14 PRO CA C 14 64.200 64.170 0.030 1
1 167 . 19 1 1 A 14 14 PRO CB C 14 31.800 31.845 -0.045 1
1 170 . 19 1 1 A 15 15 ALA H H 15 8.690 8.230 0.460 1
1 171 . 19 1 1 A 15 15 ALA HA H 15 4.340 4.619 -0.279 1
1 175 . 19 1 1 A 15 15 ALA C C 15 178.300 178.233 0.067 1
1 176 . 19 1 1 A 15 15 ALA CA C 15 54.300 53.204 1.096 1
1 177 . 19 1 1 A 15 15 ALA CB C 15 20.100 20.889 -0.789 1
1 178 . 19 1 1 A 15 15 ALA N N 15 123.400 119.598 3.802 1
1 179 . 19 1 1 A 16 16 CYS H H 16 8.290 8.154 0.136 1
1 180 . 19 1 1 A 16 16 CYS HA H 16 4.860 4.424 0.436 1
1 183 . 19 1 1 A 16 16 CYS C C 16 176.700 175.116 1.584 1
1 184 . 19 1 1 A 16 16 CYS CA C 16 58.800 61.656 -2.856 1
1 185 . 19 1 1 A 16 16 CYS CB C 16 32.600 27.914 4.686 1
1 186 . 19 1 1 A 16 16 CYS N N 16 117.000 115.985 1.015 1
1 187 . 19 1 1 A 17 17 HIS H H 17 8.300 8.072 0.228 1
1 188 . 19 1 1 A 17 17 HIS HA H 17 4.440 4.325 0.115 1
1 193 . 19 1 1 A 17 17 HIS C C 17 173.000 174.246 -1.246 1
1 194 . 19 1 1 A 17 17 HIS CA C 17 57.700 57.152 0.548 1
1 195 . 19 1 1 A 17 17 HIS CB C 17 26.500 29.157 -2.657 1
1 198 . 19 1 1 A 17 17 HIS N N 17 117.800 118.624 -0.824 1
1 199 . 19 1 1 A 18 18 ALA H H 18 9.080 7.864 1.216 1
1 200 . 19 1 1 A 18 18 ALA HA H 18 4.640 4.407 0.233 1
1 204 . 19 1 1 A 18 18 ALA CA C 18 52.100 51.068 1.032 1
1 205 . 19 1 1 A 18 18 ALA CB C 18 19.000 19.547 -0.547 1
1 206 . 19 1 1 A 18 18 ALA N N 18 127.600 123.860 3.740 1
1 207 . 19 1 1 A 19 19 PRO HA H 19 4.540 4.559 -0.019 1
1 214 . 19 1 1 A 19 19 PRO C C 19 177.000 175.811 1.189 1
1 215 . 19 1 1 A 19 19 PRO CA C 19 63.300 62.793 0.507 1
1 216 . 19 1 1 A 19 19 PRO CB C 19 32.500 32.278 0.222 1
1 219 . 19 1 1 A 20 20 LEU H H 20 8.450 8.470 -0.020 1
1 220 . 19 1 1 A 20 20 LEU HA H 20 5.050 5.019 0.031 1
1 230 . 19 1 1 A 20 20 LEU C C 20 176.700 175.960 0.740 1
1 231 . 19 1 1 A 20 20 LEU CA C 20 53.300 53.144 0.156 1
1 232 . 19 1 1 A 20 20 LEU CB C 20 44.800 45.192 -0.392 1
1 236 . 19 1 1 A 20 20 LEU N N 20 121.400 121.653 -0.253 1
1 237 . 19 1 1 A 21 21 GLU H H 21 9.030 9.516 -0.486 1
1 238 . 19 1 1 A 21 21 GLU HA H 21 4.660 5.016 -0.356 1
1 243 . 19 1 1 A 21 21 GLU C C 21 175.100 175.708 -0.608 1
1 244 . 19 1 1 A 21 21 GLU CA C 21 54.100 54.297 -0.197 1
1 245 . 19 1 1 A 21 21 GLU CB C 21 33.000 33.219 -0.219 1
1 247 . 19 1 1 A 21 21 GLU N N 21 120.700 120.915 -0.215 1
1 248 . 19 1 1 A 22 22 GLU H H 22 8.950 8.741 0.209 1
1 249 . 19 1 1 A 22 22 GLU HA H 22 4.630 4.755 -0.125 1
1 254 . 19 1 1 A 22 22 GLU C C 22 176.000 175.377 0.623 1
1 255 . 19 1 1 A 22 22 GLU CA C 22 56.800 56.413 0.387 1
1 256 . 19 1 1 A 22 22 GLU CB C 22 30.200 30.281 -0.081 1
1 258 . 19 1 1 A 22 22 GLU N N 22 125.900 122.428 3.472 1
1 259 . 19 1 1 A 23 23 ARG H H 23 8.830 8.997 -0.167 1
1 260 . 19 1 1 A 23 23 ARG HA H 23 4.500 4.871 -0.371 1
1 267 . 19 1 1 A 23 23 ARG C C 23 175.000 175.754 -0.754 1
1 268 . 19 1 1 A 23 23 ARG CA C 23 55.600 54.338 1.262 1
1 269 . 19 1 1 A 23 23 ARG CB C 23 32.100 33.492 -1.392 1
1 272 . 19 1 1 A 23 23 ARG N N 23 128.000 124.453 3.547 1
1 273 . 19 1 1 A 24 24 ASP H H 24 9.150 8.978 0.172 1
1 274 . 19 1 1 A 24 24 ASP HA H 24 4.180 4.440 -0.260 1
1 277 . 19 1 1 A 24 24 ASP C C 24 174.900 176.347 -1.447 1
1 278 . 19 1 1 A 24 24 ASP CA C 24 56.600 57.481 -0.881 1
1 279 . 19 1 1 A 24 24 ASP CB C 24 39.600 40.451 -0.851 1
1 280 . 19 1 1 A 24 24 ASP N N 24 126.000 126.404 -0.404 1
1 281 . 19 1 1 A 25 25 ALA H H 25 8.480 8.175 0.305 1
1 282 . 19 1 1 A 25 25 ALA HA H 25 4.370 4.493 -0.123 1
1 286 . 19 1 1 A 25 25 ALA C C 25 175.700 176.198 -0.498 1
1 287 . 19 1 1 A 25 25 ALA CA C 25 52.600 51.075 1.525 1
1 288 . 19 1 1 A 25 25 ALA CB C 25 18.100 20.080 -1.980 1
1 289 . 19 1 1 A 25 25 ALA N N 25 122.800 120.442 2.358 1
1 290 . 19 1 1 A 26 26 GLU H H 26 7.770 8.260 -0.490 1
1 291 . 19 1 1 A 26 26 GLU HA H 26 5.100 4.953 0.147 1
1 296 . 19 1 1 A 26 26 GLU C C 26 174.600 175.060 -0.460 1
1 297 . 19 1 1 A 26 26 GLU CA C 26 54.700 54.913 -0.213 1
1 298 . 19 1 1 A 26 26 GLU CB C 26 35.100 34.729 0.371 1
1 300 . 19 1 1 A 26 26 GLU N N 26 116.600 116.613 -0.013 1
1 301 . 19 1 1 A 27 27 LEU H H 27 9.190 9.246 -0.056 1
1 302 . 19 1 1 A 27 27 LEU HA H 27 5.010 5.143 -0.133 1
1 312 . 19 1 1 A 27 27 LEU C C 27 175.500 176.344 -0.844 1
1 313 . 19 1 1 A 27 27 LEU CA C 27 53.200 53.598 -0.398 1
1 314 . 19 1 1 A 27 27 LEU CB C 27 44.400 43.734 0.666 1
1 318 . 19 1 1 A 27 27 LEU N N 27 120.900 122.148 -1.248 1
1 319 . 19 1 1 A 28 28 ILE H H 28 9.480 9.708 -0.228 1
1 320 . 19 1 1 A 28 28 ILE HA H 28 4.770 4.618 0.152 1
1 330 . 19 1 1 A 28 28 ILE C C 28 175.300 175.546 -0.246 1
1 331 . 19 1 1 A 28 28 ILE CA C 28 60.000 59.842 0.158 1
1 332 . 19 1 1 A 28 28 ILE CB C 28 39.700 40.916 -1.216 1
1 336 . 19 1 1 A 28 28 ILE N N 28 123.300 122.992 0.308 1
1 337 . 19 1 1 A 29 29 CYS H H 29 9.160 9.220 -0.060 1
1 338 . 19 1 1 A 29 29 CYS HA H 29 4.250 4.767 -0.517 1
1 341 . 19 1 1 A 29 29 CYS C C 29 176.700 174.977 1.723 1
1 342 . 19 1 1 A 29 29 CYS CA C 29 62.000 58.962 3.038 1
1 343 . 19 1 1 A 29 29 CYS CB C 29 30.400 27.301 3.099 1
1 344 . 19 1 1 A 29 29 CYS N N 29 130.800 126.228 4.572 1
1 345 . 19 1 1 A 30 30 THR H H 30 7.840 8.914 -1.074 1
1 346 . 19 1 1 A 30 30 THR HA H 30 4.280 5.210 -0.930 1
1 351 . 19 1 1 A 30 30 THR C C 30 175.300 174.131 1.169 1
1 352 . 19 1 1 A 30 30 THR CA C 30 62.400 60.357 2.043 1
1 353 . 19 1 1 A 30 30 THR CB C 30 70.500 70.886 -0.386 1
1 355 . 19 1 1 A 30 30 THR N N 30 118.800 118.622 0.178 1
1 356 . 19 1 1 A 31 31 GLY H H 31 10.310 8.428 1.882 1
1 357 . 19 1 1 A 31 31 GLY HA2 H 31 3.710 4.248 -0.538 1
1 358 . 19 1 1 A 31 31 GLY HA3 H 31 3.960 4.254 -0.294 1
1 359 . 19 1 1 A 31 31 GLY C C 31 175.900 174.475 1.425 1
1 360 . 19 1 1 A 31 31 GLY CA C 31 45.300 45.817 -0.517 1
1 361 . 19 1 1 A 31 31 GLY N N 31 120.100 111.986 8.114 1
1 362 . 19 1 1 A 32 32 GLN H H 32 8.940 8.645 0.295 1
1 363 . 19 1 1 A 32 32 GLN HA H 32 3.990 3.973 0.017 1
1 370 . 19 1 1 A 32 32 GLN C C 32 176.400 177.404 -1.004 1
1 371 . 19 1 1 A 32 32 GLN CA C 32 58.200 58.272 -0.072 1
1 372 . 19 1 1 A 32 32 GLN CB C 32 28.800 29.191 -0.391 1
1 375 . 19 1 1 A 32 32 GLN N N 32 127.200 120.140 7.060 1
1 377 . 19 1 1 A 33 33 ASP H H 33 8.560 7.720 0.840 1
1 378 . 19 1 1 A 33 33 ASP HA H 33 4.610 4.713 -0.103 1
1 381 . 19 1 1 A 33 33 ASP C C 33 174.500 176.007 -1.507 1
1 382 . 19 1 1 A 33 33 ASP CA C 33 54.000 53.210 0.790 1
1 383 . 19 1 1 A 33 33 ASP CB C 33 40.400 40.948 -0.548 1
1 384 . 19 1 1 A 33 33 ASP N N 33 117.200 118.029 -0.829 1
1 385 . 19 1 1 A 34 34 CYS H H 34 7.330 7.600 -0.270 1
1 386 . 19 1 1 A 34 34 CYS HA H 34 4.480 4.711 -0.231 1
1 389 . 19 1 1 A 34 34 CYS C C 34 175.500 175.460 0.040 1
1 390 . 19 1 1 A 34 34 CYS CA C 34 60.100 59.036 1.064 1
1 391 . 19 1 1 A 34 34 CYS CB C 34 31.200 30.042 1.158 1
1 392 . 19 1 1 A 34 34 CYS N N 34 123.800 118.925 4.875 1
1 393 . 19 1 1 A 35 35 GLY H H 35 8.020 8.304 -0.284 1
1 394 . 19 1 1 A 35 35 GLY HA2 H 35 3.940 4.003 -0.063 1
1 395 . 19 1 1 A 35 35 GLY HA3 H 35 4.240 4.012 0.228 1
1 396 . 19 1 1 A 35 35 GLY C C 35 173.900 175.026 -1.126 1
1 397 . 19 1 1 A 35 35 GLY CA C 35 46.900 45.399 1.501 1
1 398 . 19 1 1 A 35 35 GLY N N 35 108.700 112.493 -3.793 1
1 399 . 19 1 1 A 36 36 LEU H H 36 7.430 7.934 -0.504 1
1 400 . 19 1 1 A 36 36 LEU HA H 36 3.930 4.231 -0.301 1
1 410 . 19 1 1 A 36 36 LEU C C 36 173.800 175.451 -1.651 1
1 411 . 19 1 1 A 36 36 LEU CA C 36 56.400 55.179 1.221 1
1 412 . 19 1 1 A 36 36 LEU CB C 36 43.300 42.129 1.171 1
1 416 . 19 1 1 A 36 36 LEU N N 36 121.100 122.738 -1.638 1
1 417 . 19 1 1 A 37 37 ALA H H 37 7.990 8.293 -0.303 1
1 418 . 19 1 1 A 37 37 ALA HA H 37 5.240 5.246 -0.006 1
1 422 . 19 1 1 A 37 37 ALA C C 37 176.700 174.685 2.015 1
1 423 . 19 1 1 A 37 37 ALA CA C 37 49.800 50.370 -0.570 1
1 424 . 19 1 1 A 37 37 ALA CB C 37 22.200 22.606 -0.406 1
1 425 . 19 1 1 A 37 37 ALA N N 37 119.900 120.625 -0.725 1
1 426 . 19 1 1 A 38 38 TYR H H 38 9.740 9.422 0.318 1
1 427 . 19 1 1 A 38 38 TYR HA H 38 4.730 4.955 -0.225 1
1 434 . 19 1 1 A 38 38 TYR CA C 38 55.900 55.349 0.551 1
1 435 . 19 1 1 A 38 38 TYR CB C 38 38.800 41.132 -2.332 1
1 440 . 19 1 1 A 38 38 TYR N N 38 125.300 119.705 5.595 1
1 441 . 19 1 1 A 39 39 PRO HA H 39 4.700 4.661 0.039 1
1 448 . 19 1 1 A 39 39 PRO C C 39 175.100 175.659 -0.559 1
1 449 . 19 1 1 A 39 39 PRO CA C 39 63.100 62.323 0.777 1
1 450 . 19 1 1 A 39 39 PRO CB C 39 32.900 32.597 0.303 1
1 453 . 19 1 1 A 40 40 VAL H H 40 7.830 8.657 -0.827 1
1 454 . 19 1 1 A 40 40 VAL HA H 40 4.190 4.360 -0.170 1
1 462 . 19 1 1 A 40 40 VAL C C 40 176.300 174.980 1.320 1
1 463 . 19 1 1 A 40 40 VAL CA C 40 62.100 61.707 0.393 1
1 464 . 19 1 1 A 40 40 VAL CB C 40 32.300 32.361 -0.061 1
1 467 . 19 1 1 A 40 40 VAL N N 40 119.300 121.157 -1.857 1
1 468 . 19 1 1 A 41 41 ARG H H 41 8.410 9.336 -0.926 1
1 469 . 19 1 1 A 41 41 ARG HA H 41 4.680 4.652 0.028 1
1 476 . 19 1 1 A 41 41 ARG C C 41 175.900 174.849 1.051 1
1 477 . 19 1 1 A 41 41 ARG CA C 41 55.100 55.630 -0.530 1
1 478 . 19 1 1 A 41 41 ARG CB C 41 32.200 33.013 -0.813 1
1 481 . 19 1 1 A 41 41 ARG N N 41 127.400 126.286 1.114 1
1 482 . 19 1 1 A 42 42 ASP H H 42 9.440 9.320 0.120 1
1 483 . 19 1 1 A 42 42 ASP HA H 42 4.270 4.409 -0.139 1
1 486 . 19 1 1 A 42 42 ASP C C 42 175.800 176.307 -0.507 1
1 487 . 19 1 1 A 42 42 ASP CA C 42 55.400 55.368 0.032 1
1 488 . 19 1 1 A 42 42 ASP CB C 42 39.700 39.554 0.146 1
1 489 . 19 1 1 A 42 42 ASP N N 42 127.200 127.010 0.190 1
1 490 . 19 1 1 A 43 43 GLY H H 43 8.390 8.699 -0.309 1
1 491 . 19 1 1 A 43 43 GLY HA2 H 43 3.420 3.871 -0.451 1
1 492 . 19 1 1 A 43 43 GLY HA3 H 43 4.100 3.873 0.227 1
1 493 . 19 1 1 A 43 43 GLY C C 43 173.400 173.544 -0.144 1
1 494 . 19 1 1 A 43 43 GLY CA C 43 45.200 45.632 -0.432 1
1 495 . 19 1 1 A 43 43 GLY N N 43 102.300 104.621 -2.321 1
1 496 . 19 1 1 A 44 44 ILE H H 44 7.760 8.043 -0.283 1
1 497 . 19 1 1 A 44 44 ILE HA H 44 4.610 4.835 -0.225 1
1 507 . 19 1 1 A 44 44 ILE CA C 44 57.300 56.889 0.411 1
1 508 . 19 1 1 A 44 44 ILE CB C 44 39.500 40.577 -1.077 1
1 512 . 19 1 1 A 44 44 ILE N N 44 121.900 115.300 6.600 1
1 513 . 19 1 1 A 45 45 PRO HA H 45 4.570 4.559 0.011 1
1 520 . 19 1 1 A 45 45 PRO C C 45 175.900 175.983 -0.083 1
1 521 . 19 1 1 A 45 45 PRO CA C 45 62.600 62.621 -0.021 1
1 522 . 19 1 1 A 45 45 PRO CB C 45 32.400 32.212 0.188 1
1 525 . 19 1 1 A 46 46 VAL H H 46 8.790 8.541 0.249 1
1 526 . 19 1 1 A 46 46 VAL HA H 46 4.050 4.162 -0.112 1
1 534 . 19 1 1 A 46 46 VAL C C 46 175.200 175.742 -0.542 1
1 535 . 19 1 1 A 46 46 VAL CA C 46 61.700 61.980 -0.280 1
1 536 . 19 1 1 A 46 46 VAL CB C 46 30.800 30.876 -0.076 1
1 539 . 19 1 1 A 46 46 VAL N N 46 127.200 122.400 4.800 1
1 540 . 19 1 1 A 47 47 LEU H H 47 8.100 8.291 -0.191 1
1 541 . 19 1 1 A 47 47 LEU HA H 47 4.210 4.320 -0.110 1
1 551 . 19 1 1 A 47 47 LEU C C 47 175.600 175.032 0.568 1
1 552 . 19 1 1 A 47 47 LEU CA C 47 52.700 54.309 -1.609 1
1 553 . 19 1 1 A 47 47 LEU CB C 47 39.400 41.012 -1.612 1
1 557 . 19 1 1 A 47 47 LEU N N 47 127.100 129.010 -1.910 1
1 558 . 19 1 1 A 48 48 LEU H H 48 7.370 7.442 -0.072 1
1 559 . 19 1 1 A 48 48 LEU HA H 48 4.830 4.624 0.206 1
1 569 . 19 1 1 A 48 48 LEU C C 48 177.900 177.716 0.184 1
1 570 . 19 1 1 A 48 48 LEU CA C 48 52.800 53.590 -0.790 1
1 571 . 19 1 1 A 48 48 LEU CB C 48 44.200 43.640 0.560 1
1 575 . 19 1 1 A 48 48 LEU N N 48 121.200 121.604 -0.404 1
1 576 . 19 1 1 A 49 49 VAL H H 49 9.020 8.834 0.186 1
1 577 . 19 1 1 A 49 49 VAL HA H 49 3.790 3.843 -0.053 1
1 585 . 19 1 1 A 49 49 VAL C C 49 178.100 177.311 0.789 1
1 586 . 19 1 1 A 49 49 VAL CA C 49 66.700 65.253 1.447 1
1 587 . 19 1 1 A 49 49 VAL CB C 49 31.900 31.560 0.340 1
1 590 . 19 1 1 A 49 49 VAL N N 49 124.600 124.418 0.182 1
1 591 . 19 1 1 A 50 50 ASP H H 50 8.750 8.336 0.414 1
1 592 . 19 1 1 A 50 50 ASP HA H 50 4.490 4.366 0.124 1
1 595 . 19 1 1 A 50 50 ASP C C 50 176.900 177.894 -0.994 1
1 596 . 19 1 1 A 50 50 ASP CA C 50 56.200 57.813 -1.613 1
1 597 . 19 1 1 A 50 50 ASP CB C 50 40.400 41.298 -0.898 1
1 598 . 19 1 1 A 50 50 ASP N N 50 117.300 121.000 -3.700 1
1 599 . 19 1 1 A 51 51 GLU H H 51 7.500 7.533 -0.033 1
1 600 . 19 1 1 A 51 51 GLU HA H 51 4.470 4.429 0.041 1
1 605 . 19 1 1 A 51 51 GLU C C 51 175.300 176.244 -0.944 1
1 606 . 19 1 1 A 51 51 GLU CA C 51 55.600 56.192 -0.592 1
1 607 . 19 1 1 A 51 51 GLU CB C 51 30.300 30.301 -0.001 1
1 609 . 19 1 1 A 51 51 GLU N N 51 116.100 116.187 -0.087 1
1 610 . 19 1 1 A 52 52 ALA H H 52 7.370 7.198 0.172 1
1 611 . 19 1 1 A 52 52 ALA HA H 52 4.360 4.189 0.171 1
1 615 . 19 1 1 A 52 52 ALA C C 52 177.100 177.188 -0.088 1
1 616 . 19 1 1 A 52 52 ALA CA C 52 51.900 52.826 -0.926 1
1 617 . 19 1 1 A 52 52 ALA CB C 52 20.900 18.918 1.982 1
1 618 . 19 1 1 A 52 52 ALA N N 52 122.000 123.757 -1.757 1
1 619 . 19 1 1 A 53 53 ARG H H 53 8.880 8.724 0.156 1
1 620 . 19 1 1 A 53 53 ARG HA H 53 4.560 4.660 -0.100 1
1 628 . 19 1 1 A 53 53 ARG C C 53 175.800 175.938 -0.138 1
1 629 . 19 1 1 A 53 53 ARG CA C 53 54.900 54.628 0.272 1
1 630 . 19 1 1 A 53 53 ARG CB C 53 32.500 32.662 -0.162 1
1 633 . 19 1 1 A 53 53 ARG N N 53 121.500 121.659 -0.159 1
1 635 . 19 1 1 A 54 54 ARG H H 54 8.780 8.524 0.256 1
1 636 . 19 1 1 A 54 54 ARG HA H 54 4.560 4.742 -0.182 1
1 643 . 19 1 1 A 54 54 ARG CA C 54 54.000 53.941 0.059 1
1 644 . 19 1 1 A 54 54 ARG CB C 54 30.100 31.197 -1.097 1
1 647 . 19 1 1 A 54 54 ARG N N 54 127.200 121.265 5.935 1
1 648 . 19 1 1 A 55 55 PRO HA H 55 4.380 4.264 0.116 1
1 655 . 19 1 1 A 55 55 PRO C C 55 176.000 177.266 -1.266 1
1 656 . 19 1 1 A 55 55 PRO CA C 55 63.500 63.785 -0.285 1
1 657 . 19 1 1 A 55 55 PRO CB C 55 32.000 31.904 0.096 1
1 3 . 20 1 1 A 2 2 PRO HA H 2 4.460 4.510 -0.050 1
1 10 . 20 1 1 A 2 2 PRO C C 2 176.800 176.724 0.076 1
1 11 . 20 1 1 A 2 2 PRO CA C 2 63.100 63.460 -0.360 1
1 12 . 20 1 1 A 2 2 PRO CB C 2 32.100 32.285 -0.185 1
1 15 . 20 1 1 A 3 3 LEU H H 3 8.520 8.895 -0.375 1
1 16 . 20 1 1 A 3 3 LEU HA H 3 4.260 4.122 0.138 1
1 26 . 20 1 1 A 3 3 LEU C C 3 177.700 175.924 1.776 1
1 27 . 20 1 1 A 3 3 LEU CA C 3 55.400 56.944 -1.544 1
1 28 . 20 1 1 A 3 3 LEU CB C 3 42.500 40.734 1.766 1
1 32 . 20 1 1 A 3 3 LEU N N 3 122.400 118.535 3.865 1
1 33 . 20 1 1 A 4 4 GLU H H 4 8.430 8.915 -0.485 1
1 34 . 20 1 1 A 4 4 GLU HA H 4 4.200 4.188 0.012 1
1 39 . 20 1 1 A 4 4 GLU C C 4 176.400 175.876 0.524 1
1 40 . 20 1 1 A 4 4 GLU CA C 4 56.600 58.530 -1.930 1
1 41 . 20 1 1 A 4 4 GLU CB C 4 30.200 28.503 1.697 1
1 43 . 20 1 1 A 4 4 GLU N N 4 122.100 117.987 4.113 1
1 44 . 20 1 1 A 5 5 ALA H H 5 8.420 8.633 -0.213 1
1 45 . 20 1 1 A 5 5 ALA HA H 5 4.210 4.484 -0.274 1
1 49 . 20 1 1 A 5 5 ALA C C 5 178.700 177.848 0.852 1
1 50 . 20 1 1 A 5 5 ALA CA C 5 53.500 51.737 1.763 1
1 51 . 20 1 1 A 5 5 ALA CB C 5 19.000 21.401 -2.401 1
1 52 . 20 1 1 A 5 5 ALA N N 5 125.900 121.786 4.114 1
1 53 . 20 1 1 A 6 6 GLY H H 6 8.530 8.002 0.528 1
1 54 . 20 1 1 A 6 6 GLY HA2 H 6 3.910 4.067 -0.157 1
1 55 . 20 1 1 A 6 6 GLY HA3 H 6 3.950 4.067 -0.117 1
1 56 . 20 1 1 A 6 6 GLY C C 6 174.700 173.525 1.175 1
1 57 . 20 1 1 A 6 6 GLY CA C 6 45.600 44.620 0.980 1
1 58 . 20 1 1 A 6 6 GLY N N 6 108.100 107.008 1.092 1
1 59 . 20 1 1 A 7 7 LEU H H 7 7.850 8.586 -0.736 1
1 60 . 20 1 1 A 7 7 LEU HA H 7 4.300 4.363 -0.063 1
1 70 . 20 1 1 A 7 7 LEU C C 7 177.700 177.052 0.648 1
1 71 . 20 1 1 A 7 7 LEU CA C 7 55.800 54.885 0.915 1
1 72 . 20 1 1 A 7 7 LEU CB C 7 42.500 42.139 0.361 1
1 76 . 20 1 1 A 7 7 LEU N N 7 121.300 122.448 -1.148 1
1 77 . 20 1 1 A 8 8 LEU H H 8 8.190 8.564 -0.374 1
1 78 . 20 1 1 A 8 8 LEU HA H 8 4.160 4.322 -0.162 1
1 88 . 20 1 1 A 8 8 LEU C C 8 177.700 176.411 1.289 1
1 89 . 20 1 1 A 8 8 LEU CA C 8 56.100 55.117 0.983 1
1 90 . 20 1 1 A 8 8 LEU CB C 8 42.100 42.046 0.054 1
1 94 . 20 1 1 A 8 8 LEU N N 8 120.600 123.781 -3.181 1
1 95 . 20 1 1 A 9 9 GLU H H 9 8.150 8.768 -0.618 1
1 96 . 20 1 1 A 9 9 GLU HA H 9 4.240 4.365 -0.125 1
1 101 . 20 1 1 A 9 9 GLU C C 9 176.400 175.916 0.484 1
1 102 . 20 1 1 A 9 9 GLU CA C 9 57.000 57.079 -0.079 1
1 103 . 20 1 1 A 9 9 GLU CB C 9 30.200 30.051 0.149 1
1 105 . 20 1 1 A 9 9 GLU N N 9 118.800 121.748 -2.948 1
1 106 . 20 1 1 A 10 10 ILE H H 10 7.860 7.792 0.068 1
1 107 . 20 1 1 A 10 10 ILE HA H 10 4.280 4.440 -0.160 1
1 117 . 20 1 1 A 10 10 ILE C C 10 176.100 175.909 0.191 1
1 118 . 20 1 1 A 10 10 ILE CA C 10 60.800 60.295 0.505 1
1 119 . 20 1 1 A 10 10 ILE CB C 10 38.900 39.395 -0.495 1
1 123 . 20 1 1 A 10 10 ILE N N 10 118.600 117.790 0.810 1
1 124 . 20 1 1 A 11 11 LEU H H 11 8.250 8.501 -0.251 1
1 125 . 20 1 1 A 11 11 LEU HA H 11 4.380 4.940 -0.560 1
1 135 . 20 1 1 A 11 11 LEU C C 11 175.200 176.240 -1.040 1
1 136 . 20 1 1 A 11 11 LEU CA C 11 54.400 53.388 1.012 1
1 137 . 20 1 1 A 11 11 LEU CB C 11 43.400 43.563 -0.163 1
1 141 . 20 1 1 A 11 11 LEU N N 11 125.900 123.604 2.296 1
1 142 . 20 1 1 A 12 12 ALA H H 12 7.920 8.549 -0.629 1
1 143 . 20 1 1 A 12 12 ALA HA H 12 4.620 5.250 -0.630 1
1 147 . 20 1 1 A 12 12 ALA C C 12 175.700 176.217 -0.517 1
1 148 . 20 1 1 A 12 12 ALA CA C 12 50.100 50.992 -0.892 1
1 149 . 20 1 1 A 12 12 ALA CB C 12 22.000 23.059 -1.059 1
1 150 . 20 1 1 A 12 12 ALA N N 12 123.700 121.275 2.425 1
1 151 . 20 1 1 A 13 13 CYS H H 13 9.310 8.995 0.315 1
1 152 . 20 1 1 A 13 13 CYS HA H 13 4.130 4.539 -0.409 1
1 155 . 20 1 1 A 13 13 CYS CA C 13 56.900 57.717 -0.817 1
1 156 . 20 1 1 A 13 13 CYS CB C 13 31.600 27.494 4.106 1
1 157 . 20 1 1 A 13 13 CYS N N 13 124.400 119.617 4.783 1
1 158 . 20 1 1 A 14 14 PRO HA H 14 4.340 4.255 0.085 1
1 165 . 20 1 1 A 14 14 PRO C C 14 176.300 179.026 -2.726 1
1 166 . 20 1 1 A 14 14 PRO CA C 14 64.200 65.970 -1.770 1
1 167 . 20 1 1 A 14 14 PRO CB C 14 31.800 31.217 0.583 1
1 170 . 20 1 1 A 15 15 ALA H H 15 8.690 8.377 0.313 1
1 171 . 20 1 1 A 15 15 ALA HA H 15 4.340 4.008 0.332 1
1 175 . 20 1 1 A 15 15 ALA C C 15 178.300 177.763 0.537 1
1 176 . 20 1 1 A 15 15 ALA CA C 15 54.300 55.027 -0.727 1
1 177 . 20 1 1 A 15 15 ALA CB C 15 20.100 18.607 1.493 1
1 178 . 20 1 1 A 15 15 ALA N N 15 123.400 118.486 4.914 1
1 179 . 20 1 1 A 16 16 CYS H H 16 8.290 7.712 0.578 1
1 180 . 20 1 1 A 16 16 CYS HA H 16 4.860 4.845 0.015 1
1 183 . 20 1 1 A 16 16 CYS C C 16 176.700 173.713 2.987 1
1 184 . 20 1 1 A 16 16 CYS CA C 16 58.800 56.714 2.086 1
1 185 . 20 1 1 A 16 16 CYS CB C 16 32.600 30.714 1.886 1
1 186 . 20 1 1 A 16 16 CYS N N 16 117.000 115.145 1.855 1
1 187 . 20 1 1 A 17 17 HIS H H 17 8.300 8.920 -0.620 1
1 188 . 20 1 1 A 17 17 HIS HA H 17 4.440 5.238 -0.798 1
1 193 . 20 1 1 A 17 17 HIS C C 17 173.000 174.547 -1.547 1
1 194 . 20 1 1 A 17 17 HIS CA C 17 57.700 54.859 2.841 1
1 195 . 20 1 1 A 17 17 HIS CB C 17 26.500 30.601 -4.101 1
1 198 . 20 1 1 A 17 17 HIS N N 17 117.800 121.221 -3.421 1
1 199 . 20 1 1 A 18 18 ALA H H 18 9.080 8.466 0.614 1
1 200 . 20 1 1 A 18 18 ALA HA H 18 4.640 4.743 -0.103 1
1 204 . 20 1 1 A 18 18 ALA CA C 18 52.100 50.677 1.423 1
1 205 . 20 1 1 A 18 18 ALA CB C 18 19.000 22.179 -3.179 1
1 206 . 20 1 1 A 18 18 ALA N N 18 127.600 125.369 2.231 1
1 207 . 20 1 1 A 19 19 PRO HA H 19 4.540 4.591 -0.051 1
1 214 . 20 1 1 A 19 19 PRO C C 19 177.000 175.505 1.495 1
1 215 . 20 1 1 A 19 19 PRO CA C 19 63.300 62.640 0.660 1
1 216 . 20 1 1 A 19 19 PRO CB C 19 32.500 32.810 -0.310 1
1 219 . 20 1 1 A 20 20 LEU H H 20 8.450 8.472 -0.022 1
1 220 . 20 1 1 A 20 20 LEU HA H 20 5.050 5.104 -0.054 1
1 230 . 20 1 1 A 20 20 LEU C C 20 176.700 175.284 1.416 1
1 231 . 20 1 1 A 20 20 LEU CA C 20 53.300 53.121 0.179 1
1 232 . 20 1 1 A 20 20 LEU CB C 20 44.800 44.817 -0.017 1
1 236 . 20 1 1 A 20 20 LEU N N 20 121.400 121.155 0.245 1
1 237 . 20 1 1 A 21 21 GLU H H 21 9.030 9.346 -0.316 1
1 238 . 20 1 1 A 21 21 GLU HA H 21 4.660 5.062 -0.402 1
1 243 . 20 1 1 A 21 21 GLU C C 21 175.100 175.313 -0.213 1
1 244 . 20 1 1 A 21 21 GLU CA C 21 54.100 54.560 -0.460 1
1 245 . 20 1 1 A 21 21 GLU CB C 21 33.000 32.778 0.222 1
1 247 . 20 1 1 A 21 21 GLU N N 21 120.700 122.720 -2.020 1
1 248 . 20 1 1 A 22 22 GLU H H 22 8.950 8.978 -0.028 1
1 249 . 20 1 1 A 22 22 GLU HA H 22 4.630 4.844 -0.214 1
1 254 . 20 1 1 A 22 22 GLU C C 22 176.000 175.584 0.416 1
1 255 . 20 1 1 A 22 22 GLU CA C 22 56.800 56.500 0.300 1
1 256 . 20 1 1 A 22 22 GLU CB C 22 30.200 30.608 -0.408 1
1 258 . 20 1 1 A 22 22 GLU N N 22 125.900 128.784 -2.884 1
1 259 . 20 1 1 A 23 23 ARG H H 23 8.830 9.239 -0.409 1
1 260 . 20 1 1 A 23 23 ARG HA H 23 4.500 4.472 0.028 1
1 267 . 20 1 1 A 23 23 ARG C C 23 175.000 175.227 -0.227 1
1 268 . 20 1 1 A 23 23 ARG CA C 23 55.600 56.279 -0.679 1
1 269 . 20 1 1 A 23 23 ARG CB C 23 32.100 33.013 -0.913 1
1 272 . 20 1 1 A 23 23 ARG N N 23 128.000 126.745 1.255 1
1 273 . 20 1 1 A 24 24 ASP H H 24 9.150 9.617 -0.467 1
1 274 . 20 1 1 A 24 24 ASP HA H 24 4.180 4.288 -0.108 1
1 277 . 20 1 1 A 24 24 ASP C C 24 174.900 175.088 -0.188 1
1 278 . 20 1 1 A 24 24 ASP CA C 24 56.600 55.076 1.524 1
1 279 . 20 1 1 A 24 24 ASP CB C 24 39.600 39.500 0.100 1
1 280 . 20 1 1 A 24 24 ASP N N 24 126.000 126.091 -0.091 1
1 281 . 20 1 1 A 25 25 ALA H H 25 8.480 7.976 0.504 1
1 282 . 20 1 1 A 25 25 ALA HA H 25 4.370 3.880 0.490 1
1 286 . 20 1 1 A 25 25 ALA C C 25 175.700 176.095 -0.395 1
1 287 . 20 1 1 A 25 25 ALA CA C 25 52.600 53.683 -1.083 1
1 288 . 20 1 1 A 25 25 ALA CB C 25 18.100 18.052 0.048 1
1 289 . 20 1 1 A 25 25 ALA N N 25 122.800 114.901 7.899 1
1 290 . 20 1 1 A 26 26 GLU H H 26 7.770 8.060 -0.290 1
1 291 . 20 1 1 A 26 26 GLU HA H 26 5.100 4.940 0.160 1
1 296 . 20 1 1 A 26 26 GLU C C 26 174.600 174.915 -0.315 1
1 297 . 20 1 1 A 26 26 GLU CA C 26 54.700 54.738 -0.038 1
1 298 . 20 1 1 A 26 26 GLU CB C 26 35.100 33.869 1.231 1
1 300 . 20 1 1 A 26 26 GLU N N 26 116.600 116.276 0.324 1
1 301 . 20 1 1 A 27 27 LEU H H 27 9.190 9.493 -0.303 1
1 302 . 20 1 1 A 27 27 LEU HA H 27 5.010 5.106 -0.096 1
1 312 . 20 1 1 A 27 27 LEU C C 27 175.500 175.905 -0.405 1
1 313 . 20 1 1 A 27 27 LEU CA C 27 53.200 53.537 -0.337 1
1 314 . 20 1 1 A 27 27 LEU CB C 27 44.400 43.032 1.368 1
1 318 . 20 1 1 A 27 27 LEU N N 27 120.900 122.717 -1.817 1
1 319 . 20 1 1 A 28 28 ILE H H 28 9.480 9.728 -0.248 1
1 320 . 20 1 1 A 28 28 ILE HA H 28 4.770 4.643 0.127 1
1 330 . 20 1 1 A 28 28 ILE C C 28 175.300 175.507 -0.207 1
1 331 . 20 1 1 A 28 28 ILE CA C 28 60.000 59.973 0.027 1
1 332 . 20 1 1 A 28 28 ILE CB C 28 39.700 39.858 -0.158 1
1 336 . 20 1 1 A 28 28 ILE N N 28 123.300 125.518 -2.218 1
1 337 . 20 1 1 A 29 29 CYS H H 29 9.160 9.313 -0.153 1
1 338 . 20 1 1 A 29 29 CYS HA H 29 4.250 4.617 -0.367 1
1 341 . 20 1 1 A 29 29 CYS C C 29 176.700 173.800 2.900 1
1 342 . 20 1 1 A 29 29 CYS CA C 29 62.000 59.898 2.102 1
1 343 . 20 1 1 A 29 29 CYS CB C 29 30.400 27.954 2.446 1
1 344 . 20 1 1 A 29 29 CYS N N 29 130.800 127.876 2.924 1
1 345 . 20 1 1 A 30 30 THR H H 30 7.840 8.955 -1.115 1
1 346 . 20 1 1 A 30 30 THR HA H 30 4.280 5.139 -0.859 1
1 351 . 20 1 1 A 30 30 THR C C 30 175.300 174.533 0.767 1
1 352 . 20 1 1 A 30 30 THR CA C 30 62.400 60.745 1.655 1
1 353 . 20 1 1 A 30 30 THR CB C 30 70.500 69.932 0.568 1
1 355 . 20 1 1 A 30 30 THR N N 30 118.800 122.300 -3.500 1
1 356 . 20 1 1 A 31 31 GLY H H 31 10.310 8.276 2.034 1
1 357 . 20 1 1 A 31 31 GLY HA2 H 31 3.710 4.234 -0.524 1
1 358 . 20 1 1 A 31 31 GLY HA3 H 31 3.960 4.239 -0.279 1
1 359 . 20 1 1 A 31 31 GLY C C 31 175.900 174.501 1.399 1
1 360 . 20 1 1 A 31 31 GLY CA C 31 45.300 45.922 -0.622 1
1 361 . 20 1 1 A 31 31 GLY N N 31 120.100 111.955 8.145 1
1 362 . 20 1 1 A 32 32 GLN H H 32 8.940 8.933 0.007 1
1 363 . 20 1 1 A 32 32 GLN HA H 32 3.990 3.954 0.036 1
1 370 . 20 1 1 A 32 32 GLN C C 32 176.400 176.902 -0.502 1
1 371 . 20 1 1 A 32 32 GLN CA C 32 58.200 58.964 -0.764 1
1 372 . 20 1 1 A 32 32 GLN CB C 32 28.800 28.827 -0.027 1
1 375 . 20 1 1 A 32 32 GLN N N 32 127.200 119.885 7.315 1
1 377 . 20 1 1 A 33 33 ASP H H 33 8.560 7.587 0.973 1
1 378 . 20 1 1 A 33 33 ASP HA H 33 4.610 4.717 -0.107 1
1 381 . 20 1 1 A 33 33 ASP C C 33 174.500 176.106 -1.606 1
1 382 . 20 1 1 A 33 33 ASP CA C 33 54.000 54.228 -0.228 1
1 383 . 20 1 1 A 33 33 ASP CB C 33 40.400 41.570 -1.170 1
1 384 . 20 1 1 A 33 33 ASP N N 33 117.200 116.187 1.013 1
1 385 . 20 1 1 A 34 34 CYS H H 34 7.330 7.625 -0.295 1
1 386 . 20 1 1 A 34 34 CYS HA H 34 4.480 4.533 -0.053 1
1 389 . 20 1 1 A 34 34 CYS C C 34 175.500 175.615 -0.115 1
1 390 . 20 1 1 A 34 34 CYS CA C 34 60.100 59.150 0.950 1
1 391 . 20 1 1 A 34 34 CYS CB C 34 31.200 29.257 1.943 1
1 392 . 20 1 1 A 34 34 CYS N N 34 123.800 118.615 5.185 1
1 393 . 20 1 1 A 35 35 GLY H H 35 8.020 8.747 -0.727 1
1 394 . 20 1 1 A 35 35 GLY HA2 H 35 3.940 3.971 -0.031 1
1 395 . 20 1 1 A 35 35 GLY HA3 H 35 4.240 3.973 0.267 1
1 396 . 20 1 1 A 35 35 GLY C C 35 173.900 174.955 -1.055 1
1 397 . 20 1 1 A 35 35 GLY CA C 35 46.900 45.271 1.629 1
1 398 . 20 1 1 A 35 35 GLY N N 35 108.700 111.692 -2.992 1
1 399 . 20 1 1 A 36 36 LEU H H 36 7.430 7.871 -0.441 1
1 400 . 20 1 1 A 36 36 LEU HA H 36 3.930 4.244 -0.314 1
1 410 . 20 1 1 A 36 36 LEU C C 36 173.800 175.211 -1.411 1
1 411 . 20 1 1 A 36 36 LEU CA C 36 56.400 55.022 1.378 1
1 412 . 20 1 1 A 36 36 LEU CB C 36 43.300 42.089 1.211 1
1 416 . 20 1 1 A 36 36 LEU N N 36 121.100 122.553 -1.453 1
1 417 . 20 1 1 A 37 37 ALA H H 37 7.990 8.258 -0.268 1
1 418 . 20 1 1 A 37 37 ALA HA H 37 5.240 4.893 0.347 1
1 422 . 20 1 1 A 37 37 ALA C C 37 176.700 174.499 2.201 1
1 423 . 20 1 1 A 37 37 ALA CA C 37 49.800 50.290 -0.490 1
1 424 . 20 1 1 A 37 37 ALA CB C 37 22.200 22.323 -0.123 1
1 425 . 20 1 1 A 37 37 ALA N N 37 119.900 120.583 -0.683 1
1 426 . 20 1 1 A 38 38 TYR H H 38 9.740 9.223 0.517 1
1 427 . 20 1 1 A 38 38 TYR HA H 38 4.730 4.970 -0.240 1
1 434 . 20 1 1 A 38 38 TYR CA C 38 55.900 55.298 0.602 1
1 435 . 20 1 1 A 38 38 TYR CB C 38 38.800 40.895 -2.095 1
1 440 . 20 1 1 A 38 38 TYR N N 38 125.300 120.390 4.910 1
1 441 . 20 1 1 A 39 39 PRO HA H 39 4.700 4.678 0.022 1
1 448 . 20 1 1 A 39 39 PRO C C 39 175.100 175.294 -0.194 1
1 449 . 20 1 1 A 39 39 PRO CA C 39 63.100 62.351 0.749 1
1 450 . 20 1 1 A 39 39 PRO CB C 39 32.900 32.944 -0.044 1
1 453 . 20 1 1 A 40 40 VAL H H 40 7.830 8.437 -0.607 1
1 454 . 20 1 1 A 40 40 VAL HA H 40 4.190 4.735 -0.545 1
1 462 . 20 1 1 A 40 40 VAL C C 40 176.300 174.181 2.119 1
1 463 . 20 1 1 A 40 40 VAL CA C 40 62.100 60.626 1.474 1
1 464 . 20 1 1 A 40 40 VAL CB C 40 32.300 33.980 -1.680 1
1 467 . 20 1 1 A 40 40 VAL N N 40 119.300 119.921 -0.621 1
1 468 . 20 1 1 A 41 41 ARG H H 41 8.410 9.326 -0.916 1
1 469 . 20 1 1 A 41 41 ARG HA H 41 4.680 4.751 -0.071 1
1 476 . 20 1 1 A 41 41 ARG C C 41 175.900 175.165 0.735 1
1 477 . 20 1 1 A 41 41 ARG CA C 41 55.100 54.990 0.110 1
1 478 . 20 1 1 A 41 41 ARG CB C 41 32.200 32.501 -0.301 1
1 481 . 20 1 1 A 41 41 ARG N N 41 127.400 127.393 0.007 1
1 482 . 20 1 1 A 42 42 ASP H H 42 9.440 9.490 -0.050 1
1 483 . 20 1 1 A 42 42 ASP HA H 42 4.270 4.453 -0.183 1
1 486 . 20 1 1 A 42 42 ASP C C 42 175.800 176.236 -0.436 1
1 487 . 20 1 1 A 42 42 ASP CA C 42 55.400 55.369 0.031 1
1 488 . 20 1 1 A 42 42 ASP CB C 42 39.700 39.600 0.100 1
1 489 . 20 1 1 A 42 42 ASP N N 42 127.200 128.031 -0.831 1
1 490 . 20 1 1 A 43 43 GLY H H 43 8.390 8.526 -0.136 1
1 491 . 20 1 1 A 43 43 GLY HA2 H 43 3.420 3.809 -0.389 1
1 492 . 20 1 1 A 43 43 GLY HA3 H 43 4.100 3.811 0.289 1
1 493 . 20 1 1 A 43 43 GLY C C 43 173.400 173.767 -0.367 1
1 494 . 20 1 1 A 43 43 GLY CA C 43 45.200 45.381 -0.181 1
1 495 . 20 1 1 A 43 43 GLY N N 43 102.300 104.691 -2.391 1
1 496 . 20 1 1 A 44 44 ILE H H 44 7.760 8.182 -0.422 1
1 497 . 20 1 1 A 44 44 ILE HA H 44 4.610 4.389 0.221 1
1 507 . 20 1 1 A 44 44 ILE CA C 44 57.300 58.022 -0.722 1
1 508 . 20 1 1 A 44 44 ILE CB C 44 39.500 39.108 0.392 1
1 512 . 20 1 1 A 44 44 ILE N N 44 121.900 122.860 -0.960 1
1 513 . 20 1 1 A 45 45 PRO HA H 45 4.570 4.683 -0.113 1
1 520 . 20 1 1 A 45 45 PRO C C 45 175.900 176.106 -0.206 1
1 521 . 20 1 1 A 45 45 PRO CA C 45 62.600 62.462 0.138 1
1 522 . 20 1 1 A 45 45 PRO CB C 45 32.400 32.675 -0.275 1
1 525 . 20 1 1 A 46 46 VAL H H 46 8.790 8.575 0.215 1
1 526 . 20 1 1 A 46 46 VAL HA H 46 4.050 4.202 -0.152 1
1 534 . 20 1 1 A 46 46 VAL C C 46 175.200 175.875 -0.675 1
1 535 . 20 1 1 A 46 46 VAL CA C 46 61.700 61.819 -0.119 1
1 536 . 20 1 1 A 46 46 VAL CB C 46 30.800 32.347 -1.547 1
1 539 . 20 1 1 A 46 46 VAL N N 46 127.200 122.152 5.048 1
1 540 . 20 1 1 A 47 47 LEU H H 47 8.100 8.746 -0.646 1
1 541 . 20 1 1 A 47 47 LEU HA H 47 4.210 4.427 -0.217 1
1 551 . 20 1 1 A 47 47 LEU C C 47 175.600 175.824 -0.224 1
1 552 . 20 1 1 A 47 47 LEU CA C 47 52.700 53.810 -1.110 1
1 553 . 20 1 1 A 47 47 LEU CB C 47 39.400 42.047 -2.647 1
1 557 . 20 1 1 A 47 47 LEU N N 47 127.100 125.901 1.199 1
1 558 . 20 1 1 A 48 48 LEU H H 48 7.370 7.507 -0.137 1
1 559 . 20 1 1 A 48 48 LEU HA H 48 4.830 4.520 0.310 1
1 569 . 20 1 1 A 48 48 LEU C C 48 177.900 176.955 0.945 1
1 570 . 20 1 1 A 48 48 LEU CA C 48 52.800 53.604 -0.804 1
1 571 . 20 1 1 A 48 48 LEU CB C 48 44.200 43.118 1.082 1
1 575 . 20 1 1 A 48 48 LEU N N 48 121.200 121.312 -0.112 1
1 576 . 20 1 1 A 49 49 VAL H H 49 9.020 8.583 0.437 1
1 577 . 20 1 1 A 49 49 VAL HA H 49 3.790 3.719 0.071 1
1 585 . 20 1 1 A 49 49 VAL C C 49 178.100 177.149 0.951 1
1 586 . 20 1 1 A 49 49 VAL CA C 49 66.700 66.653 0.047 1
1 587 . 20 1 1 A 49 49 VAL CB C 49 31.900 31.890 0.010 1
1 590 . 20 1 1 A 49 49 VAL N N 49 124.600 122.557 2.043 1
1 591 . 20 1 1 A 50 50 ASP H H 50 8.750 8.217 0.533 1
1 592 . 20 1 1 A 50 50 ASP HA H 50 4.490 4.399 0.091 1
1 595 . 20 1 1 A 50 50 ASP C C 50 176.900 178.345 -1.445 1
1 596 . 20 1 1 A 50 50 ASP CA C 50 56.200 57.602 -1.402 1
1 597 . 20 1 1 A 50 50 ASP CB C 50 40.400 40.220 0.180 1
1 598 . 20 1 1 A 50 50 ASP N N 50 117.300 119.835 -2.535 1
1 599 . 20 1 1 A 51 51 GLU H H 51 7.500 7.641 -0.141 1
1 600 . 20 1 1 A 51 51 GLU HA H 51 4.470 4.401 0.069 1
1 605 . 20 1 1 A 51 51 GLU C C 51 175.300 176.438 -1.138 1
1 606 . 20 1 1 A 51 51 GLU CA C 51 55.600 56.433 -0.833 1
1 607 . 20 1 1 A 51 51 GLU CB C 51 30.300 30.339 -0.039 1
1 609 . 20 1 1 A 51 51 GLU N N 51 116.100 116.209 -0.109 1
1 610 . 20 1 1 A 52 52 ALA H H 52 7.370 7.310 0.060 1
1 611 . 20 1 1 A 52 52 ALA HA H 52 4.360 4.344 0.016 1
1 615 . 20 1 1 A 52 52 ALA C C 52 177.100 177.333 -0.233 1
1 616 . 20 1 1 A 52 52 ALA CA C 52 51.900 53.098 -1.198 1
1 617 . 20 1 1 A 52 52 ALA CB C 52 20.900 19.290 1.610 1
1 618 . 20 1 1 A 52 52 ALA N N 52 122.000 123.756 -1.756 1
1 619 . 20 1 1 A 53 53 ARG H H 53 8.880 8.767 0.113 1
1 620 . 20 1 1 A 53 53 ARG HA H 53 4.560 4.624 -0.064 1
1 628 . 20 1 1 A 53 53 ARG C C 53 175.800 175.561 0.239 1
1 629 . 20 1 1 A 53 53 ARG CA C 53 54.900 54.725 0.175 1
1 630 . 20 1 1 A 53 53 ARG CB C 53 32.500 32.559 -0.059 1
1 633 . 20 1 1 A 53 53 ARG N N 53 121.500 122.198 -0.698 1
1 635 . 20 1 1 A 54 54 ARG H H 54 8.780 8.382 0.398 1
1 636 . 20 1 1 A 54 54 ARG HA H 54 4.560 4.661 -0.101 1
1 643 . 20 1 1 A 54 54 ARG CA C 54 54.000 53.812 0.188 1
1 644 . 20 1 1 A 54 54 ARG CB C 54 30.100 29.673 0.427 1
1 647 . 20 1 1 A 54 54 ARG N N 54 127.200 122.524 4.676 1
1 648 . 20 1 1 A 55 55 PRO HA H 55 4.380 4.716 -0.336 1
1 655 . 20 1 1 A 55 55 PRO C C 55 176.000 175.185 0.815 1
1 656 . 20 1 1 A 55 55 PRO CA C 55 63.500 62.841 0.659 1
1 657 . 20 1 1 A 55 55 PRO CB C 55 32.000 32.764 -0.764 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 49 1.027 1
2 1 1 1 "RMS(OBS, PRED)" CA 54 0.965 1
3 1 1 1 "RMS(OBS, PRED)" CB 50 1.570 1
4 1 1 1 "RMS(OBS, PRED)" H 48 0.567 1
5 1 1 1 "RMS(OBS, PRED)" HA 58 0.257 1
6 1 1 1 "RMS(OBS, PRED)" N 48 3.585 1
7 1 2 1 "RMS(OBS, PRED)" C 49 1.150 1
8 1 2 1 "RMS(OBS, PRED)" CA 54 1.221 1
9 1 2 1 "RMS(OBS, PRED)" CB 50 1.525 1
10 1 2 1 "RMS(OBS, PRED)" H 48 0.636 1
11 1 2 1 "RMS(OBS, PRED)" HA 58 0.351 1
12 1 2 1 "RMS(OBS, PRED)" N 48 3.919 1
13 1 3 1 "RMS(OBS, PRED)" C 49 1.138 1
14 1 3 1 "RMS(OBS, PRED)" CA 54 0.987 1
15 1 3 1 "RMS(OBS, PRED)" CB 50 1.389 1
16 1 3 1 "RMS(OBS, PRED)" H 48 0.545 1
17 1 3 1 "RMS(OBS, PRED)" HA 58 0.252 1
18 1 3 1 "RMS(OBS, PRED)" N 48 3.529 1
19 1 4 1 "RMS(OBS, PRED)" C 49 0.938 1
20 1 4 1 "RMS(OBS, PRED)" CA 54 0.991 1
21 1 4 1 "RMS(OBS, PRED)" CB 50 1.467 1
22 1 4 1 "RMS(OBS, PRED)" H 48 0.589 1
23 1 4 1 "RMS(OBS, PRED)" HA 58 0.296 1
24 1 4 1 "RMS(OBS, PRED)" N 48 3.183 1
25 1 5 1 "RMS(OBS, PRED)" C 49 1.069 1
26 1 5 1 "RMS(OBS, PRED)" CA 54 0.948 1
27 1 5 1 "RMS(OBS, PRED)" CB 50 1.632 1
28 1 5 1 "RMS(OBS, PRED)" H 48 0.501 1
29 1 5 1 "RMS(OBS, PRED)" HA 58 0.257 1
30 1 5 1 "RMS(OBS, PRED)" N 48 3.007 1
31 1 6 1 "RMS(OBS, PRED)" C 49 1.157 1
32 1 6 1 "RMS(OBS, PRED)" CA 54 1.190 1
33 1 6 1 "RMS(OBS, PRED)" CB 50 1.572 1
34 1 6 1 "RMS(OBS, PRED)" H 48 0.564 1
35 1 6 1 "RMS(OBS, PRED)" HA 58 0.314 1
36 1 6 1 "RMS(OBS, PRED)" N 48 3.610 1
37 1 7 1 "RMS(OBS, PRED)" C 49 0.983 1
38 1 7 1 "RMS(OBS, PRED)" CA 54 0.962 1
39 1 7 1 "RMS(OBS, PRED)" CB 50 1.780 1
40 1 7 1 "RMS(OBS, PRED)" H 48 0.600 1
41 1 7 1 "RMS(OBS, PRED)" HA 58 0.249 1
42 1 7 1 "RMS(OBS, PRED)" N 48 3.239 1
43 1 8 1 "RMS(OBS, PRED)" C 49 1.019 1
44 1 8 1 "RMS(OBS, PRED)" CA 54 0.896 1
45 1 8 1 "RMS(OBS, PRED)" CB 50 1.405 1
46 1 8 1 "RMS(OBS, PRED)" H 48 0.622 1
47 1 8 1 "RMS(OBS, PRED)" HA 58 0.250 1
48 1 8 1 "RMS(OBS, PRED)" N 48 3.432 1
49 1 9 1 "RMS(OBS, PRED)" C 49 1.148 1
50 1 9 1 "RMS(OBS, PRED)" CA 54 0.882 1
51 1 9 1 "RMS(OBS, PRED)" CB 50 1.265 1
52 1 9 1 "RMS(OBS, PRED)" H 48 0.655 1
53 1 9 1 "RMS(OBS, PRED)" HA 58 0.248 1
54 1 9 1 "RMS(OBS, PRED)" N 48 3.319 1
55 1 10 1 "RMS(OBS, PRED)" C 49 1.120 1
56 1 10 1 "RMS(OBS, PRED)" CA 54 0.988 1
57 1 10 1 "RMS(OBS, PRED)" CB 50 1.665 1
58 1 10 1 "RMS(OBS, PRED)" H 48 0.575 1
59 1 10 1 "RMS(OBS, PRED)" HA 58 0.281 1
60 1 10 1 "RMS(OBS, PRED)" N 48 3.266 1
61 1 11 1 "RMS(OBS, PRED)" C 49 1.171 1
62 1 11 1 "RMS(OBS, PRED)" CA 54 1.080 1
63 1 11 1 "RMS(OBS, PRED)" CB 50 1.500 1
64 1 11 1 "RMS(OBS, PRED)" H 48 0.487 1
65 1 11 1 "RMS(OBS, PRED)" HA 58 0.314 1
66 1 11 1 "RMS(OBS, PRED)" N 48 3.165 1
67 1 12 1 "RMS(OBS, PRED)" C 49 1.248 1
68 1 12 1 "RMS(OBS, PRED)" CA 54 0.978 1
69 1 12 1 "RMS(OBS, PRED)" CB 50 1.564 1
70 1 12 1 "RMS(OBS, PRED)" H 48 0.597 1
71 1 12 1 "RMS(OBS, PRED)" HA 58 0.270 1
72 1 12 1 "RMS(OBS, PRED)" N 48 3.454 1
73 1 13 1 "RMS(OBS, PRED)" C 49 1.131 1
74 1 13 1 "RMS(OBS, PRED)" CA 54 1.101 1
75 1 13 1 "RMS(OBS, PRED)" CB 50 1.628 1
76 1 13 1 "RMS(OBS, PRED)" H 48 0.610 1
77 1 13 1 "RMS(OBS, PRED)" HA 58 0.263 1
78 1 13 1 "RMS(OBS, PRED)" N 48 3.784 1
79 1 14 1 "RMS(OBS, PRED)" C 49 1.066 1
80 1 14 1 "RMS(OBS, PRED)" CA 54 0.850 1
81 1 14 1 "RMS(OBS, PRED)" CB 50 1.445 1
82 1 14 1 "RMS(OBS, PRED)" H 48 0.600 1
83 1 14 1 "RMS(OBS, PRED)" HA 58 0.249 1
84 1 14 1 "RMS(OBS, PRED)" N 48 3.602 1
85 1 15 1 "RMS(OBS, PRED)" C 49 1.049 1
86 1 15 1 "RMS(OBS, PRED)" CA 54 0.966 1
87 1 15 1 "RMS(OBS, PRED)" CB 50 1.429 1
88 1 15 1 "RMS(OBS, PRED)" H 48 0.628 1
89 1 15 1 "RMS(OBS, PRED)" HA 58 0.283 1
90 1 15 1 "RMS(OBS, PRED)" N 48 3.157 1
91 1 16 1 "RMS(OBS, PRED)" C 49 1.146 1
92 1 16 1 "RMS(OBS, PRED)" CA 54 1.111 1
93 1 16 1 "RMS(OBS, PRED)" CB 50 1.561 1
94 1 16 1 "RMS(OBS, PRED)" H 48 0.603 1
95 1 16 1 "RMS(OBS, PRED)" HA 58 0.226 1
96 1 16 1 "RMS(OBS, PRED)" N 48 3.744 1
97 1 17 1 "RMS(OBS, PRED)" C 49 1.151 1
98 1 17 1 "RMS(OBS, PRED)" CA 54 1.039 1
99 1 17 1 "RMS(OBS, PRED)" CB 50 1.535 1
100 1 17 1 "RMS(OBS, PRED)" H 48 0.611 1
101 1 17 1 "RMS(OBS, PRED)" HA 58 0.235 1
102 1 17 1 "RMS(OBS, PRED)" N 48 3.421 1
103 1 18 1 "RMS(OBS, PRED)" C 49 1.136 1
104 1 18 1 "RMS(OBS, PRED)" CA 54 1.203 1
105 1 18 1 "RMS(OBS, PRED)" CB 50 1.525 1
106 1 18 1 "RMS(OBS, PRED)" H 48 0.574 1
107 1 18 1 "RMS(OBS, PRED)" HA 58 0.295 1
108 1 18 1 "RMS(OBS, PRED)" N 48 3.965 1
109 1 19 1 "RMS(OBS, PRED)" C 49 1.036 1
110 1 19 1 "RMS(OBS, PRED)" CA 54 1.124 1
111 1 19 1 "RMS(OBS, PRED)" CB 50 1.473 1
112 1 19 1 "RMS(OBS, PRED)" H 48 0.561 1
113 1 19 1 "RMS(OBS, PRED)" HA 58 0.251 1
114 1 19 1 "RMS(OBS, PRED)" N 48 3.747 1
115 1 20 1 "RMS(OBS, PRED)" C 49 1.181 1
116 1 20 1 "RMS(OBS, PRED)" CA 54 1.080 1
117 1 20 1 "RMS(OBS, PRED)" CB 50 1.445 1
118 1 20 1 "RMS(OBS, PRED)" H 48 0.556 1
119 1 20 1 "RMS(OBS, PRED)" HA 58 0.293 1
120 1 20 1 "RMS(OBS, PRED)" N 48 3.290 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 3 . 1 1 A 2 2 PRO HA H 2 4.460 4.490 -0.030 2
1 10 . 1 1 A 2 2 PRO C C 2 176.800 176.848 -0.048 2
1 11 . 1 1 A 2 2 PRO CA C 2 63.100 63.464 -0.364 2
1 12 . 1 1 A 2 2 PRO CB C 2 32.100 32.010 0.090 2
1 15 . 1 1 A 3 3 LEU H H 3 8.520 8.296 0.224 2
1 16 . 1 1 A 3 3 LEU HA H 3 4.260 4.302 -0.042 2
1 26 . 1 1 A 3 3 LEU C C 3 177.700 176.782 0.918 2
1 27 . 1 1 A 3 3 LEU CA C 3 55.400 55.179 0.221 2
1 28 . 1 1 A 3 3 LEU CB C 3 42.500 42.526 -0.026 2
1 32 . 1 1 A 3 3 LEU N N 3 122.400 120.678 1.722 2
1 33 . 1 1 A 4 4 GLU H H 4 8.430 8.499 -0.069 2
1 34 . 1 1 A 4 4 GLU HA H 4 4.200 4.333 -0.133 2
1 39 . 1 1 A 4 4 GLU C C 4 176.400 176.559 -0.159 2
1 40 . 1 1 A 4 4 GLU CA C 4 56.600 57.237 -0.637 2
1 41 . 1 1 A 4 4 GLU CB C 4 30.200 29.830 0.370 2
1 43 . 1 1 A 4 4 GLU N N 4 122.100 120.529 1.571 2
1 44 . 1 1 A 5 5 ALA H H 5 8.420 8.218 0.202 2
1 45 . 1 1 A 5 5 ALA HA H 5 4.210 4.285 -0.075 2
1 49 . 1 1 A 5 5 ALA C C 5 178.700 177.968 0.732 2
1 50 . 1 1 A 5 5 ALA CA C 5 53.500 52.788 0.712 2
1 51 . 1 1 A 5 5 ALA CB C 5 19.000 19.550 -0.550 2
1 52 . 1 1 A 5 5 ALA N N 5 125.900 124.407 1.493 2
1 53 . 1 1 A 6 6 GLY H H 6 8.530 8.353 0.177 2
1 54 . 1 1 A 6 6 GLY HA2 H 6 3.910 3.972 -0.062 2
1 55 . 1 1 A 6 6 GLY HA3 H 6 3.950 3.973 -0.023 2
1 56 . 1 1 A 6 6 GLY C C 6 174.700 174.232 0.468 2
1 57 . 1 1 A 6 6 GLY CA C 6 45.600 45.944 -0.344 2
1 58 . 1 1 A 6 6 GLY N N 6 108.100 108.165 -0.065 2
1 59 . 1 1 A 7 7 LEU H H 7 7.850 8.276 -0.426 2
1 60 . 1 1 A 7 7 LEU HA H 7 4.300 4.255 0.045 2
1 70 . 1 1 A 7 7 LEU C C 7 177.700 176.745 0.955 2
1 71 . 1 1 A 7 7 LEU CA C 7 55.800 55.590 0.210 2
1 72 . 1 1 A 7 7 LEU CB C 7 42.500 41.691 0.809 2
1 76 . 1 1 A 7 7 LEU N N 7 121.300 121.475 -0.175 2
1 77 . 1 1 A 8 8 LEU H H 8 8.190 8.253 -0.063 2
1 78 . 1 1 A 8 8 LEU HA H 8 4.160 4.186 -0.026 2
1 88 . 1 1 A 8 8 LEU C C 8 177.700 176.905 0.795 2
1 89 . 1 1 A 8 8 LEU CA C 8 56.100 56.038 0.062 2
1 90 . 1 1 A 8 8 LEU CB C 8 42.100 42.108 -0.008 2
1 94 . 1 1 A 8 8 LEU N N 8 120.600 122.620 -2.020 2
1 95 . 1 1 A 9 9 GLU H H 9 8.150 8.394 -0.244 2
1 96 . 1 1 A 9 9 GLU HA H 9 4.240 4.251 -0.011 2
1 101 . 1 1 A 9 9 GLU C C 9 176.400 176.245 0.155 2
1 102 . 1 1 A 9 9 GLU CA C 9 57.000 57.179 -0.179 2
1 103 . 1 1 A 9 9 GLU CB C 9 30.200 29.751 0.449 2
1 105 . 1 1 A 9 9 GLU N N 9 118.800 121.577 -2.777 2
1 106 . 1 1 A 10 10 ILE H H 10 7.860 8.110 -0.250 2
1 107 . 1 1 A 10 10 ILE HA H 10 4.280 4.374 -0.094 2
1 117 . 1 1 A 10 10 ILE C C 10 176.100 175.397 0.703 2
1 118 . 1 1 A 10 10 ILE CA C 10 60.800 60.742 0.058 2
1 119 . 1 1 A 10 10 ILE CB C 10 38.900 38.964 -0.064 2
1 123 . 1 1 A 10 10 ILE N N 10 118.600 122.234 -3.634 2
1 124 . 1 1 A 11 11 LEU H H 11 8.250 8.420 -0.170 2
1 125 . 1 1 A 11 11 LEU HA H 11 4.380 4.618 -0.238 2
1 135 . 1 1 A 11 11 LEU C C 11 175.200 176.026 -0.826 2
1 136 . 1 1 A 11 11 LEU CA C 11 54.400 54.254 0.146 2
1 137 . 1 1 A 11 11 LEU CB C 11 43.400 42.999 0.401 2
1 141 . 1 1 A 11 11 LEU N N 11 125.900 126.766 -0.866 2
1 142 . 1 1 A 12 12 ALA H H 12 7.920 8.574 -0.654 2
1 143 . 1 1 A 12 12 ALA HA H 12 4.620 5.078 -0.458 2
1 147 . 1 1 A 12 12 ALA C C 12 175.700 176.009 -0.309 2
1 148 . 1 1 A 12 12 ALA CA C 12 50.100 50.709 -0.609 2
1 149 . 1 1 A 12 12 ALA CB C 12 22.000 22.648 -0.648 2
1 150 . 1 1 A 12 12 ALA N N 12 123.700 123.822 -0.122 2
1 151 . 1 1 A 13 13 CYS H H 13 9.310 8.465 0.845 2
1 152 . 1 1 A 13 13 CYS HA H 13 4.130 4.630 -0.500 2
1 155 . 1 1 A 13 13 CYS CA C 13 56.900 57.639 -0.739 2
1 156 . 1 1 A 13 13 CYS CB C 13 31.600 27.740 3.860 2
1 157 . 1 1 A 13 13 CYS N N 13 124.400 120.435 3.965 2
1 158 . 1 1 A 14 14 PRO HA H 14 4.340 4.343 -0.003 2
1 165 . 1 1 A 14 14 PRO C C 14 176.300 177.552 -1.252 2
1 166 . 1 1 A 14 14 PRO CA C 14 64.200 64.654 -0.454 2
1 167 . 1 1 A 14 14 PRO CB C 14 31.800 31.679 0.121 2
1 170 . 1 1 A 15 15 ALA H H 15 8.690 8.343 0.347 2
1 171 . 1 1 A 15 15 ALA HA H 15 4.340 4.185 0.155 2
1 175 . 1 1 A 15 15 ALA C C 15 178.300 177.474 0.826 2
1 176 . 1 1 A 15 15 ALA CA C 15 54.300 54.238 0.062 2
1 177 . 1 1 A 15 15 ALA CB C 15 20.100 18.948 1.152 2
1 178 . 1 1 A 15 15 ALA N N 15 123.400 118.975 4.425 2
1 179 . 1 1 A 16 16 CYS H H 16 8.290 7.944 0.346 2
1 180 . 1 1 A 16 16 CYS HA H 16 4.860 4.652 0.208 2
1 183 . 1 1 A 16 16 CYS C C 16 176.700 174.129 2.571 2
1 184 . 1 1 A 16 16 CYS CA C 16 58.800 58.391 0.409 2
1 185 . 1 1 A 16 16 CYS CB C 16 32.600 29.167 3.433 2
1 186 . 1 1 A 16 16 CYS N N 16 117.000 114.525 2.475 2
1 187 . 1 1 A 17 17 HIS H H 17 8.300 8.447 -0.147 2
1 188 . 1 1 A 17 17 HIS HA H 17 4.440 4.942 -0.502 2
1 193 . 1 1 A 17 17 HIS C C 17 173.000 174.267 -1.267 2
1 194 . 1 1 A 17 17 HIS CA C 17 57.700 55.687 2.013 2
1 195 . 1 1 A 17 17 HIS CB C 17 26.500 30.440 -3.940 2
1 198 . 1 1 A 17 17 HIS N N 17 117.800 119.384 -1.584 2
1 199 . 1 1 A 18 18 ALA H H 18 9.080 8.115 0.965 2
1 200 . 1 1 A 18 18 ALA HA H 18 4.640 4.558 0.082 2
1 204 . 1 1 A 18 18 ALA CA C 18 52.100 50.753 1.347 2
1 205 . 1 1 A 18 18 ALA CB C 18 19.000 21.389 -2.389 2
1 206 . 1 1 A 18 18 ALA N N 18 127.600 124.350 3.250 2
1 207 . 1 1 A 19 19 PRO HA H 19 4.540 4.572 -0.032 2
1 214 . 1 1 A 19 19 PRO C C 19 177.000 175.614 1.386 2
1 215 . 1 1 A 19 19 PRO CA C 19 63.300 62.625 0.675 2
1 216 . 1 1 A 19 19 PRO CB C 19 32.500 32.597 -0.097 2
1 219 . 1 1 A 20 20 LEU H H 20 8.450 8.424 0.026 2
1 220 . 1 1 A 20 20 LEU HA H 20 5.050 5.065 -0.015 2
1 230 . 1 1 A 20 20 LEU C C 20 176.700 175.531 1.169 2
1 231 . 1 1 A 20 20 LEU CA C 20 53.300 53.161 0.139 2
1 232 . 1 1 A 20 20 LEU CB C 20 44.800 44.857 -0.057 2
1 236 . 1 1 A 20 20 LEU N N 20 121.400 121.591 -0.191 2
1 237 . 1 1 A 21 21 GLU H H 21 9.030 9.392 -0.362 2
1 238 . 1 1 A 21 21 GLU HA H 21 4.660 4.988 -0.328 2
1 243 . 1 1 A 21 21 GLU C C 21 175.100 175.426 -0.326 2
1 244 . 1 1 A 21 21 GLU CA C 21 54.100 54.562 -0.462 2
1 245 . 1 1 A 21 21 GLU CB C 21 33.000 32.686 0.314 2
1 247 . 1 1 A 21 21 GLU N N 21 120.700 122.353 -1.653 2
1 248 . 1 1 A 22 22 GLU H H 22 8.950 8.845 0.105 2
1 249 . 1 1 A 22 22 GLU HA H 22 4.630 4.739 -0.109 2
1 254 . 1 1 A 22 22 GLU C C 22 176.000 175.548 0.452 2
1 255 . 1 1 A 22 22 GLU CA C 22 56.800 56.325 0.475 2
1 256 . 1 1 A 22 22 GLU CB C 22 30.200 30.606 -0.406 2
1 258 . 1 1 A 22 22 GLU N N 22 125.900 125.768 0.132 2
1 259 . 1 1 A 23 23 ARG H H 23 8.830 9.099 -0.269 2
1 260 . 1 1 A 23 23 ARG HA H 23 4.500 4.690 -0.190 2
1 267 . 1 1 A 23 23 ARG C C 23 175.000 175.126 -0.126 2
1 268 . 1 1 A 23 23 ARG CA C 23 55.600 55.056 0.544 2
1 269 . 1 1 A 23 23 ARG CB C 23 32.100 32.862 -0.762 2
1 272 . 1 1 A 23 23 ARG N N 23 128.000 125.210 2.790 2
1 273 . 1 1 A 24 24 ASP H H 24 9.150 9.061 0.089 2
1 274 . 1 1 A 24 24 ASP HA H 24 4.180 4.319 -0.139 2
1 277 . 1 1 A 24 24 ASP C C 24 174.900 175.762 -0.862 2
1 278 . 1 1 A 24 24 ASP CA C 24 56.600 56.078 0.522 2
1 279 . 1 1 A 24 24 ASP CB C 24 39.600 39.816 -0.216 2
1 280 . 1 1 A 24 24 ASP N N 24 126.000 124.523 1.477 2
1 281 . 1 1 A 25 25 ALA H H 25 8.480 8.331 0.149 2
1 282 . 1 1 A 25 25 ALA HA H 25 4.370 4.311 0.059 2
1 286 . 1 1 A 25 25 ALA C C 25 175.700 176.208 -0.508 2
1 287 . 1 1 A 25 25 ALA CA C 25 52.600 52.065 0.535 2
1 288 . 1 1 A 25 25 ALA CB C 25 18.100 19.178 -1.078 2
1 289 . 1 1 A 25 25 ALA N N 25 122.800 123.101 -0.301 2
1 290 . 1 1 A 26 26 GLU H H 26 7.770 8.195 -0.425 2
1 291 . 1 1 A 26 26 GLU HA H 26 5.100 4.892 0.208 2
1 296 . 1 1 A 26 26 GLU C C 26 174.600 174.551 0.049 2
1 297 . 1 1 A 26 26 GLU CA C 26 54.700 54.982 -0.282 2
1 298 . 1 1 A 26 26 GLU CB C 26 35.100 33.585 1.515 2
1 300 . 1 1 A 26 26 GLU N N 26 116.600 115.775 0.825 2
1 301 . 1 1 A 27 27 LEU H H 27 9.190 9.366 -0.176 2
1 302 . 1 1 A 27 27 LEU HA H 27 5.010 5.257 -0.247 2
1 312 . 1 1 A 27 27 LEU C C 27 175.500 175.818 -0.318 2
1 313 . 1 1 A 27 27 LEU CA C 27 53.200 53.451 -0.251 2
1 314 . 1 1 A 27 27 LEU CB C 27 44.400 43.831 0.569 2
1 318 . 1 1 A 27 27 LEU N N 27 120.900 123.053 -2.153 2
1 319 . 1 1 A 28 28 ILE H H 28 9.480 9.666 -0.186 2
1 320 . 1 1 A 28 28 ILE HA H 28 4.770 4.662 0.108 2
1 330 . 1 1 A 28 28 ILE C C 28 175.300 175.418 -0.118 2
1 331 . 1 1 A 28 28 ILE CA C 28 60.000 59.900 0.100 2
1 332 . 1 1 A 28 28 ILE CB C 28 39.700 40.297 -0.597 2
1 336 . 1 1 A 28 28 ILE N N 28 123.300 123.890 -0.590 2
1 337 . 1 1 A 29 29 CYS H H 29 9.160 9.234 -0.074 2
1 338 . 1 1 A 29 29 CYS HA H 29 4.250 4.646 -0.396 2
1 341 . 1 1 A 29 29 CYS C C 29 176.700 174.997 1.703 2
1 342 . 1 1 A 29 29 CYS CA C 29 62.000 59.433 2.567 2
1 343 . 1 1 A 29 29 CYS CB C 29 30.400 27.889 2.511 2
1 344 . 1 1 A 29 29 CYS N N 29 130.800 126.541 4.259 2
1 345 . 1 1 A 30 30 THR H H 30 7.840 8.999 -1.159 2
1 346 . 1 1 A 30 30 THR HA H 30 4.280 4.693 -0.413 2
1 351 . 1 1 A 30 30 THR C C 30 175.300 174.568 0.732 2
1 352 . 1 1 A 30 30 THR CA C 30 62.400 61.955 0.445 2
1 353 . 1 1 A 30 30 THR CB C 30 70.500 69.993 0.507 2
1 355 . 1 1 A 30 30 THR N N 30 118.800 119.918 -1.118 2
1 356 . 1 1 A 31 31 GLY H H 31 10.310 8.286 2.024 2
1 357 . 1 1 A 31 31 GLY HA2 H 31 3.710 4.142 -0.432 2
1 358 . 1 1 A 31 31 GLY HA3 H 31 3.960 4.151 -0.191 2
1 359 . 1 1 A 31 31 GLY C C 31 175.900 174.697 1.203 2
1 360 . 1 1 A 31 31 GLY CA C 31 45.300 45.184 0.116 2
1 361 . 1 1 A 31 31 GLY N N 31 120.100 111.260 8.840 2
1 362 . 1 1 A 32 32 GLN H H 32 8.940 8.730 0.210 2
1 363 . 1 1 A 32 32 GLN HA H 32 3.990 4.012 -0.022 2
1 370 . 1 1 A 32 32 GLN C C 32 176.400 177.001 -0.601 2
1 371 . 1 1 A 32 32 GLN CA C 32 58.200 58.474 -0.274 2
1 372 . 1 1 A 32 32 GLN CB C 32 28.800 28.680 0.120 2
1 375 . 1 1 A 32 32 GLN N N 32 127.200 120.692 6.508 2
1 377 . 1 1 A 33 33 ASP H H 33 8.560 7.942 0.618 2
1 378 . 1 1 A 33 33 ASP HA H 33 4.610 4.641 -0.031 2
1 381 . 1 1 A 33 33 ASP C C 33 174.500 176.456 -1.956 2
1 382 . 1 1 A 33 33 ASP CA C 33 54.000 54.635 -0.635 2
1 383 . 1 1 A 33 33 ASP CB C 33 40.400 41.164 -0.764 2
1 384 . 1 1 A 33 33 ASP N N 33 117.200 117.556 -0.356 2
1 385 . 1 1 A 34 34 CYS H H 34 7.330 7.702 -0.372 2
1 386 . 1 1 A 34 34 CYS HA H 34 4.480 4.569 -0.089 2
1 389 . 1 1 A 34 34 CYS C C 34 175.500 175.140 0.360 2
1 390 . 1 1 A 34 34 CYS CA C 34 60.100 59.286 0.814 2
1 391 . 1 1 A 34 34 CYS CB C 34 31.200 29.029 2.171 2
1 392 . 1 1 A 34 34 CYS N N 34 123.800 117.785 6.015 2
1 393 . 1 1 A 35 35 GLY H H 35 8.020 8.333 -0.313 2
1 394 . 1 1 A 35 35 GLY HA2 H 35 3.940 3.994 -0.054 2
1 395 . 1 1 A 35 35 GLY HA3 H 35 4.240 4.001 0.239 2
1 396 . 1 1 A 35 35 GLY C C 35 173.900 174.567 -0.667 2
1 397 . 1 1 A 35 35 GLY CA C 35 46.900 45.641 1.259 2
1 398 . 1 1 A 35 35 GLY N N 35 108.700 110.473 -1.773 2
1 399 . 1 1 A 36 36 LEU H H 36 7.430 7.942 -0.512 2
1 400 . 1 1 A 36 36 LEU HA H 36 3.930 4.216 -0.286 2
1 410 . 1 1 A 36 36 LEU C C 36 173.800 175.711 -1.911 2
1 411 . 1 1 A 36 36 LEU CA C 36 56.400 55.180 1.220 2
1 412 . 1 1 A 36 36 LEU CB C 36 43.300 41.963 1.337 2
1 416 . 1 1 A 36 36 LEU N N 36 121.100 122.461 -1.361 2
1 417 . 1 1 A 37 37 ALA H H 37 7.990 8.651 -0.661 2
1 418 . 1 1 A 37 37 ALA HA H 37 5.240 5.212 0.028 2
1 422 . 1 1 A 37 37 ALA C C 37 176.700 174.816 1.884 2
1 423 . 1 1 A 37 37 ALA CA C 37 49.800 50.141 -0.341 2
1 424 . 1 1 A 37 37 ALA CB C 37 22.200 22.203 -0.003 2
1 425 . 1 1 A 37 37 ALA N N 37 119.900 122.928 -3.028 2
1 426 . 1 1 A 38 38 TYR H H 38 9.740 9.336 0.404 2
1 427 . 1 1 A 38 38 TYR HA H 38 4.730 4.991 -0.261 2
1 434 . 1 1 A 38 38 TYR CA C 38 55.900 55.267 0.633 2
1 435 . 1 1 A 38 38 TYR CB C 38 38.800 40.350 -1.550 2
1 440 . 1 1 A 38 38 TYR N N 38 125.300 120.199 5.101 2
1 441 . 1 1 A 39 39 PRO HA H 39 4.700 4.691 0.009 2
1 448 . 1 1 A 39 39 PRO C C 39 175.100 175.547 -0.447 2
1 449 . 1 1 A 39 39 PRO CA C 39 63.100 62.384 0.716 2
1 450 . 1 1 A 39 39 PRO CB C 39 32.900 32.628 0.272 2
1 453 . 1 1 A 40 40 VAL H H 40 7.830 8.397 -0.567 2
1 454 . 1 1 A 40 40 VAL HA H 40 4.190 4.488 -0.298 2
1 462 . 1 1 A 40 40 VAL C C 40 176.300 174.576 1.724 2
1 463 . 1 1 A 40 40 VAL CA C 40 62.100 61.250 0.850 2
1 464 . 1 1 A 40 40 VAL CB C 40 32.300 33.095 -0.795 2
1 467 . 1 1 A 40 40 VAL N N 40 119.300 120.561 -1.261 2
1 468 . 1 1 A 41 41 ARG H H 41 8.410 9.269 -0.859 2
1 469 . 1 1 A 41 41 ARG HA H 41 4.680 4.725 -0.045 2
1 476 . 1 1 A 41 41 ARG C C 41 175.900 175.408 0.492 2
1 477 . 1 1 A 41 41 ARG CA C 41 55.100 54.779 0.321 2
1 478 . 1 1 A 41 41 ARG CB C 41 32.200 32.201 -0.001 2
1 481 . 1 1 A 41 41 ARG N N 41 127.400 127.217 0.183 2
1 482 . 1 1 A 42 42 ASP H H 42 9.440 9.440 0.000 2
1 483 . 1 1 A 42 42 ASP HA H 42 4.270 4.356 -0.086 2
1 486 . 1 1 A 42 42 ASP C C 42 175.800 175.866 -0.066 2
1 487 . 1 1 A 42 42 ASP CA C 42 55.400 55.244 0.156 2
1 488 . 1 1 A 42 42 ASP CB C 42 39.700 39.671 0.029 2
1 489 . 1 1 A 42 42 ASP N N 42 127.200 126.724 0.476 2
1 490 . 1 1 A 43 43 GLY H H 43 8.390 8.586 -0.196 2
1 491 . 1 1 A 43 43 GLY HA2 H 43 3.420 3.832 -0.412 2
1 492 . 1 1 A 43 43 GLY HA3 H 43 4.100 3.834 0.266 2
1 493 . 1 1 A 43 43 GLY C C 43 173.400 173.699 -0.299 2
1 494 . 1 1 A 43 43 GLY CA C 43 45.200 45.443 -0.243 2
1 495 . 1 1 A 43 43 GLY N N 43 102.300 104.389 -2.089 2
1 496 . 1 1 A 44 44 ILE H H 44 7.760 8.236 -0.476 2
1 497 . 1 1 A 44 44 ILE HA H 44 4.610 4.473 0.137 2
1 507 . 1 1 A 44 44 ILE CA C 44 57.300 57.780 -0.480 2
1 508 . 1 1 A 44 44 ILE CB C 44 39.500 39.741 -0.241 2
1 512 . 1 1 A 44 44 ILE N N 44 121.900 121.565 0.335 2
1 513 . 1 1 A 45 45 PRO HA H 45 4.570 4.574 -0.004 2
1 520 . 1 1 A 45 45 PRO C C 45 175.900 176.037 -0.137 2
1 521 . 1 1 A 45 45 PRO CA C 45 62.600 62.745 -0.145 2
1 522 . 1 1 A 45 45 PRO CB C 45 32.400 32.418 -0.018 2
1 525 . 1 1 A 46 46 VAL H H 46 8.790 8.565 0.225 2
1 526 . 1 1 A 46 46 VAL HA H 46 4.050 4.264 -0.214 2
1 534 . 1 1 A 46 46 VAL C C 46 175.200 175.751 -0.551 2
1 535 . 1 1 A 46 46 VAL CA C 46 61.700 61.692 0.008 2
1 536 . 1 1 A 46 46 VAL CB C 46 30.800 31.934 -1.134 2
1 539 . 1 1 A 46 46 VAL N N 46 127.200 122.035 5.165 2
1 540 . 1 1 A 47 47 LEU H H 47 8.100 8.801 -0.701 2
1 541 . 1 1 A 47 47 LEU HA H 47 4.210 4.428 -0.218 2
1 551 . 1 1 A 47 47 LEU C C 47 175.600 175.351 0.250 2
1 552 . 1 1 A 47 47 LEU CA C 47 52.700 53.959 -1.259 2
1 553 . 1 1 A 47 47 LEU CB C 47 39.400 41.400 -2.000 2
1 557 . 1 1 A 47 47 LEU N N 47 127.100 127.562 -0.462 2
1 558 . 1 1 A 48 48 LEU H H 48 7.370 7.464 -0.094 2
1 559 . 1 1 A 48 48 LEU HA H 48 4.830 4.613 0.217 2
1 569 . 1 1 A 48 48 LEU C C 48 177.900 177.117 0.783 2
1 570 . 1 1 A 48 48 LEU CA C 48 52.800 53.400 -0.600 2
1 571 . 1 1 A 48 48 LEU CB C 48 44.200 43.589 0.611 2
1 575 . 1 1 A 48 48 LEU N N 48 121.200 121.599 -0.399 2
1 576 . 1 1 A 49 49 VAL H H 49 9.020 8.645 0.375 2
1 577 . 1 1 A 49 49 VAL HA H 49 3.790 3.766 0.024 2
1 585 . 1 1 A 49 49 VAL C C 49 178.100 177.231 0.869 2
1 586 . 1 1 A 49 49 VAL CA C 49 66.700 66.446 0.254 2
1 587 . 1 1 A 49 49 VAL CB C 49 31.900 31.856 0.044 2
1 590 . 1 1 A 49 49 VAL N N 49 124.600 122.868 1.732 2
1 591 . 1 1 A 50 50 ASP H H 50 8.750 8.375 0.375 2
1 592 . 1 1 A 50 50 ASP HA H 50 4.490 4.372 0.118 2
1 595 . 1 1 A 50 50 ASP C C 50 176.900 177.841 -0.941 2
1 596 . 1 1 A 50 50 ASP CA C 50 56.200 57.459 -1.259 2
1 597 . 1 1 A 50 50 ASP CB C 50 40.400 40.696 -0.296 2
1 598 . 1 1 A 50 50 ASP N N 50 117.300 120.072 -2.771 2
1 599 . 1 1 A 51 51 GLU H H 51 7.500 7.611 -0.111 2
1 600 . 1 1 A 51 51 GLU HA H 51 4.470 4.403 0.067 2
1 605 . 1 1 A 51 51 GLU C C 51 175.300 176.422 -1.122 2
1 606 . 1 1 A 51 51 GLU CA C 51 55.600 56.463 -0.863 2
1 607 . 1 1 A 51 51 GLU CB C 51 30.300 30.289 0.011 2
1 609 . 1 1 A 51 51 GLU N N 51 116.100 116.596 -0.496 2
1 610 . 1 1 A 52 52 ALA H H 52 7.370 7.340 0.030 2
1 611 . 1 1 A 52 52 ALA HA H 52 4.360 4.118 0.242 2
1 615 . 1 1 A 52 52 ALA C C 52 177.100 177.111 -0.011 2
1 616 . 1 1 A 52 52 ALA CA C 52 51.900 52.918 -1.018 2
1 617 . 1 1 A 52 52 ALA CB C 52 20.900 19.101 1.799 2
1 618 . 1 1 A 52 52 ALA N N 52 122.000 123.435 -1.435 2
1 619 . 1 1 A 53 53 ARG H H 53 8.880 8.815 0.065 2
1 620 . 1 1 A 53 53 ARG HA H 53 4.560 4.773 -0.213 2
1 628 . 1 1 A 53 53 ARG C C 53 175.800 175.491 0.309 2
1 629 . 1 1 A 53 53 ARG CA C 53 54.900 54.410 0.490 2
1 630 . 1 1 A 53 53 ARG CB C 53 32.500 32.943 -0.443 2
1 633 . 1 1 A 53 53 ARG N N 53 121.500 121.770 -0.270 2
1 635 . 1 1 A 54 54 ARG H H 54 8.780 8.383 0.397 2
1 636 . 1 1 A 54 54 ARG HA H 54 4.560 4.649 -0.089 2
1 643 . 1 1 A 54 54 ARG CA C 54 54.000 53.978 0.022 2
1 644 . 1 1 A 54 54 ARG CB C 54 30.100 30.084 0.016 2
1 647 . 1 1 A 54 54 ARG N N 54 127.200 122.865 4.335 2
1 648 . 1 1 A 55 55 PRO HA H 55 4.380 4.472 -0.092 2
1 655 . 1 1 A 55 55 PRO C C 55 176.000 176.691 -0.691 2
1 656 . 1 1 A 55 55 PRO CA C 55 63.500 63.236 0.264 2
1 657 . 1 1 A 55 55 PRO CB C 55 32.000 32.297 -0.297 2
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