data_10259_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10259 _Entry.PDB_ID 2DJT _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 1 . 1 1 1 A 2 2 SER HA H 2 4.493 4.990 -0.497 1 1 4 . 1 1 1 A 2 2 SER C C 2 174.671 174.305 0.366 1 1 5 . 1 1 1 A 2 2 SER CA C 2 58.438 56.375 2.063 1 1 6 . 1 1 1 A 2 2 SER CB C 2 63.558 65.458 -1.900 1 1 7 . 1 1 1 A 3 3 SER H H 3 8.324 9.007 -0.683 1 1 8 . 1 1 1 A 3 3 SER HA H 3 4.493 4.127 0.366 1 1 11 . 1 1 1 A 3 3 SER C C 3 173.918 174.492 -0.574 1 1 12 . 1 1 1 A 3 3 SER CA C 3 58.455 60.758 -2.303 1 1 13 . 1 1 1 A 3 3 SER CB C 3 63.929 64.061 -0.132 1 1 14 . 1 1 1 A 3 3 SER N N 3 117.862 120.184 -2.322 1 1 15 . 1 1 1 A 4 4 GLY H H 4 8.045 7.713 0.332 1 1 16 . 1 1 1 A 4 4 GLY C C 4 179.001 172.781 6.220 1 1 17 . 1 1 1 A 4 4 GLY CA C 4 46.201 44.556 1.645 1 1 18 . 1 1 1 A 4 4 GLY N N 4 116.862 107.871 8.991 1 1 19 . 1 1 1 A 6 6 SER HA H 6 4.461 5.291 -0.830 1 1 22 . 1 1 1 A 6 6 SER C C 6 175.170 174.134 1.036 1 1 23 . 1 1 1 A 6 6 SER CA C 6 58.755 56.395 2.360 1 1 24 . 1 1 1 A 6 6 SER CB C 6 63.862 65.984 -2.122 1 1 25 . 1 1 1 A 7 7 GLY H H 7 8.432 8.566 -0.134 1 1 26 . 1 1 1 A 7 7 GLY HA2 H 7 3.966 4.133 -0.167 1 1 27 . 1 1 1 A 7 7 GLY C C 7 174.309 174.969 -0.660 1 1 28 . 1 1 1 A 7 7 GLY CA C 7 45.408 44.146 1.262 1 1 29 . 1 1 1 A 7 7 GLY N N 7 110.678 111.888 -1.210 1 1 30 . 1 1 1 A 8 8 GLN H H 8 8.210 8.718 -0.508 1 1 31 . 1 1 1 A 8 8 GLN HA H 8 4.324 4.322 0.002 1 1 38 . 1 1 1 A 8 8 GLN C C 8 176.037 177.076 -1.039 1 1 39 . 1 1 1 A 8 8 GLN CA C 8 55.970 57.407 -1.437 1 1 40 . 1 1 1 A 8 8 GLN CB C 8 29.562 29.518 0.044 1 1 42 . 1 1 1 A 8 8 GLN N N 8 119.977 119.392 0.585 1 1 44 . 1 1 1 A 9 9 ALA H H 9 8.394 7.964 0.430 1 1 45 . 1 1 1 A 9 9 ALA HA H 9 4.319 4.493 -0.174 1 1 49 . 1 1 1 A 9 9 ALA C C 9 177.635 178.071 -0.436 1 1 50 . 1 1 1 A 9 9 ALA CA C 9 52.531 51.870 0.661 1 1 51 . 1 1 1 A 9 9 ALA CB C 9 19.136 18.834 0.302 1 1 52 . 1 1 1 A 9 9 ALA N N 9 125.301 121.124 4.177 1 1 53 . 1 1 1 A 10 10 SER H H 10 8.259 7.623 0.636 1 1 54 . 1 1 1 A 10 10 SER HA H 10 4.440 4.175 0.265 1 1 57 . 1 1 1 A 10 10 SER C C 10 175.138 175.248 -0.110 1 1 58 . 1 1 1 A 10 10 SER CA C 10 58.649 59.722 -1.073 1 1 59 . 1 1 1 A 10 10 SER CB C 10 63.888 63.996 -0.108 1 1 60 . 1 1 1 A 10 10 SER N N 10 114.874 113.660 1.214 1 1 61 . 1 1 1 A 11 11 GLY H H 11 8.493 8.019 0.474 1 1 62 . 1 1 1 A 11 11 GLY HA2 H 11 4.039 3.981 0.058 1 1 63 . 1 1 1 A 11 11 GLY HA3 H 11 4.039 3.982 0.057 1 1 64 . 1 1 1 A 11 11 GLY C C 11 173.678 174.307 -0.629 1 1 65 . 1 1 1 A 11 11 GLY CA C 11 45.531 45.349 0.182 1 1 66 . 1 1 1 A 11 11 GLY N N 11 110.301 110.880 -0.579 1 1 67 . 1 1 1 A 12 12 HIS H H 12 7.970 7.192 0.778 1 1 68 . 1 1 1 A 12 12 HIS HA H 12 5.442 4.595 0.847 1 1 73 . 1 1 1 A 12 12 HIS C C 12 175.304 174.490 0.814 1 1 74 . 1 1 1 A 12 12 HIS CA C 12 55.095 55.918 -0.823 1 1 75 . 1 1 1 A 12 12 HIS CB C 12 31.849 31.422 0.427 1 1 78 . 1 1 1 A 12 12 HIS N N 12 119.432 117.858 1.574 1 1 79 . 1 1 1 A 13 13 PHE H H 13 8.940 8.472 0.468 1 1 80 . 1 1 1 A 13 13 PHE HA H 13 5.072 5.579 -0.507 1 1 88 . 1 1 1 A 13 13 PHE C C 13 172.688 173.239 -0.551 1 1 89 . 1 1 1 A 13 13 PHE CA C 13 56.269 55.257 1.012 1 1 90 . 1 1 1 A 13 13 PHE CB C 13 40.835 41.997 -1.162 1 1 96 . 1 1 1 A 13 13 PHE N N 13 118.413 116.884 1.529 1 1 97 . 1 1 1 A 14 14 SER H H 14 8.709 8.981 -0.272 1 1 98 . 1 1 1 A 14 14 SER HA H 14 5.580 5.440 0.140 1 1 101 . 1 1 1 A 14 14 SER C C 14 174.119 174.361 -0.242 1 1 102 . 1 1 1 A 14 14 SER CA C 14 56.974 55.366 1.608 1 1 103 . 1 1 1 A 14 14 SER CB C 14 65.778 66.194 -0.416 1 1 104 . 1 1 1 A 14 14 SER N N 14 115.082 113.764 1.318 1 1 105 . 1 1 1 A 15 15 VAL H H 15 8.801 8.309 0.492 1 1 106 . 1 1 1 A 15 15 VAL HA H 15 4.373 4.661 -0.288 1 1 114 . 1 1 1 A 15 15 VAL C C 15 173.002 173.994 -0.992 1 1 115 . 1 1 1 A 15 15 VAL CA C 15 61.312 61.238 0.074 1 1 116 . 1 1 1 A 15 15 VAL CB C 15 36.461 34.258 2.203 1 1 119 . 1 1 1 A 15 15 VAL N N 15 121.148 121.027 0.121 1 1 120 . 1 1 1 A 16 16 GLU H H 16 8.383 9.097 -0.714 1 1 121 . 1 1 1 A 16 16 GLU HA H 16 5.299 5.416 -0.117 1 1 126 . 1 1 1 A 16 16 GLU C C 16 175.408 175.405 0.003 1 1 127 . 1 1 1 A 16 16 GLU CA C 16 54.594 54.903 -0.309 1 1 128 . 1 1 1 A 16 16 GLU CB C 16 31.993 32.739 -0.746 1 1 130 . 1 1 1 A 16 16 GLU N N 16 125.925 129.150 -3.225 1 1 131 . 1 1 1 A 17 17 LEU H H 17 9.172 9.012 0.160 1 1 132 . 1 1 1 A 17 17 LEU HA H 17 5.000 5.166 -0.166 1 1 142 . 1 1 1 A 17 17 LEU C C 17 175.596 175.876 -0.280 1 1 143 . 1 1 1 A 17 17 LEU CA C 17 52.919 53.359 -0.440 1 1 144 . 1 1 1 A 17 17 LEU CB C 17 47.317 46.484 0.833 1 1 148 . 1 1 1 A 17 17 LEU N N 17 122.761 127.068 -4.307 1 1 149 . 1 1 1 A 18 18 VAL H H 18 8.546 8.873 -0.327 1 1 150 . 1 1 1 A 18 18 VAL HA H 18 4.831 4.779 0.052 1 1 158 . 1 1 1 A 18 18 VAL C C 18 175.783 175.961 -0.178 1 1 159 . 1 1 1 A 18 18 VAL CA C 18 61.277 61.040 0.237 1 1 160 . 1 1 1 A 18 18 VAL CB C 18 33.600 34.432 -0.832 1 1 163 . 1 1 1 A 18 18 VAL N N 18 122.523 121.990 0.533 1 1 164 . 1 1 1 A 19 19 ARG H H 19 8.495 8.097 0.398 1 1 165 . 1 1 1 A 19 19 ARG HA H 19 2.868 3.191 -0.323 1 1 172 . 1 1 1 A 19 19 ARG C C 19 176.248 177.252 -1.004 1 1 173 . 1 1 1 A 19 19 ARG CA C 19 58.138 57.020 1.118 1 1 174 . 1 1 1 A 19 19 ARG CB C 19 30.839 30.871 -0.032 1 1 177 . 1 1 1 A 19 19 ARG N N 19 127.015 127.799 -0.784 1 1 178 . 1 1 1 A 20 20 GLY H H 20 7.244 8.466 -1.222 1 1 179 . 1 1 1 A 20 20 GLY HA2 H 20 4.504 3.876 0.628 1 1 180 . 1 1 1 A 20 20 GLY HA3 H 20 3.750 3.885 -0.135 1 1 181 . 1 1 1 A 20 20 GLY C C 20 175.286 174.174 1.112 1 1 182 . 1 1 1 A 20 20 GLY CA C 20 44.131 47.282 -3.151 1 1 183 . 1 1 1 A 20 20 GLY N N 20 112.266 112.863 -0.597 1 1 184 . 1 1 1 A 21 21 TYR HA H 21 4.219 4.709 -0.490 1 1 191 . 1 1 1 A 21 21 TYR C C 21 176.309 174.801 1.508 1 1 192 . 1 1 1 A 21 21 TYR CA C 21 60.518 57.748 2.770 1 1 193 . 1 1 1 A 21 21 TYR CB C 21 37.826 41.232 -3.406 1 1 198 . 1 1 1 A 22 22 ALA H H 22 8.272 8.711 -0.439 1 1 199 . 1 1 1 A 22 22 ALA HA H 22 4.404 3.699 0.705 1 1 203 . 1 1 1 A 22 22 ALA C C 22 177.312 176.087 1.225 1 1 204 . 1 1 1 A 22 22 ALA CA C 22 50.816 52.854 -2.038 1 1 205 . 1 1 1 A 22 22 ALA CB C 22 18.455 17.701 0.754 1 1 206 . 1 1 1 A 22 22 ALA N N 22 121.539 130.119 -8.580 1 1 207 . 1 1 1 A 23 23 GLY H H 23 7.495 8.000 -0.505 1 1 208 . 1 1 1 A 23 23 GLY HA2 H 23 4.541 3.927 0.614 1 1 209 . 1 1 1 A 23 23 GLY HA3 H 23 3.238 3.981 -0.743 1 1 210 . 1 1 1 A 23 23 GLY C C 23 175.043 174.621 0.422 1 1 211 . 1 1 1 A 23 23 GLY CA C 23 44.897 43.666 1.231 1 1 212 . 1 1 1 A 23 23 GLY N N 23 106.744 103.759 2.985 1 1 213 . 1 1 1 A 24 24 PHE H H 24 7.242 8.702 -1.460 1 1 214 . 1 1 1 A 24 24 PHE HA H 24 4.369 4.606 -0.237 1 1 222 . 1 1 1 A 24 24 PHE C C 24 175.902 176.085 -0.183 1 1 223 . 1 1 1 A 24 24 PHE CA C 24 60.347 58.010 2.337 1 1 224 . 1 1 1 A 24 24 PHE CB C 24 39.575 40.207 -0.632 1 1 230 . 1 1 1 A 25 25 GLY H H 25 8.820 8.182 0.638 1 1 231 . 1 1 1 A 25 25 GLY HA2 H 25 4.134 4.037 0.097 1 1 232 . 1 1 1 A 25 25 GLY HA3 H 25 3.913 4.047 -0.134 1 1 233 . 1 1 1 A 25 25 GLY C C 25 174.585 174.616 -0.031 1 1 234 . 1 1 1 A 25 25 GLY CA C 25 47.030 46.538 0.492 1 1 235 . 1 1 1 A 25 25 GLY N N 25 107.899 109.932 -2.033 1 1 236 . 1 1 1 A 26 26 LEU H H 26 7.991 7.816 0.175 1 1 237 . 1 1 1 A 26 26 LEU HA H 26 4.990 4.838 0.152 1 1 247 . 1 1 1 A 26 26 LEU C C 26 174.135 175.014 -0.879 1 1 248 . 1 1 1 A 26 26 LEU CA C 26 53.906 53.590 0.316 1 1 249 . 1 1 1 A 26 26 LEU CB C 26 45.939 44.696 1.243 1 1 253 . 1 1 1 A 26 26 LEU N N 26 122.133 122.516 -0.383 1 1 254 . 1 1 1 A 27 27 THR H H 27 8.657 8.784 -0.127 1 1 255 . 1 1 1 A 27 27 THR HA H 27 4.662 5.247 -0.585 1 1 260 . 1 1 1 A 27 27 THR C C 27 174.074 173.480 0.594 1 1 261 . 1 1 1 A 27 27 THR CA C 27 61.382 61.316 0.066 1 1 262 . 1 1 1 A 27 27 THR CB C 27 70.010 71.751 -1.741 1 1 264 . 1 1 1 A 27 27 THR N N 27 121.262 122.160 -0.898 1 1 265 . 1 1 1 A 28 28 LEU H H 28 9.692 8.858 0.834 1 1 266 . 1 1 1 A 28 28 LEU HA H 28 5.297 5.245 0.052 1 1 276 . 1 1 1 A 28 28 LEU C C 28 175.414 175.773 -0.359 1 1 277 . 1 1 1 A 28 28 LEU CA C 28 53.219 53.018 0.201 1 1 278 . 1 1 1 A 28 28 LEU CB C 28 45.049 45.069 -0.020 1 1 282 . 1 1 1 A 28 28 LEU N N 28 128.374 125.090 3.284 1 1 283 . 1 1 1 A 29 29 GLY H H 29 8.818 8.755 0.063 1 1 284 . 1 1 1 A 29 29 GLY HA2 H 29 4.089 4.146 -0.057 1 1 285 . 1 1 1 A 29 29 GLY HA3 H 29 3.664 4.200 -0.536 1 1 286 . 1 1 1 A 29 29 GLY C C 29 171.700 174.230 -2.530 1 1 287 . 1 1 1 A 29 29 GLY CA C 29 44.086 44.429 -0.343 1 1 288 . 1 1 1 A 29 29 GLY N N 29 106.574 111.596 -5.022 1 1 289 . 1 1 1 A 30 30 GLY H H 30 8.339 8.182 0.157 1 1 290 . 1 1 1 A 30 30 GLY HA2 H 30 4.434 3.961 0.473 1 1 291 . 1 1 1 A 30 30 GLY HA3 H 30 3.554 3.974 -0.420 1 1 292 . 1 1 1 A 30 30 GLY C C 30 174.290 174.017 0.273 1 1 293 . 1 1 1 A 30 30 GLY CA C 30 44.879 45.084 -0.205 1 1 294 . 1 1 1 A 30 30 GLY N N 30 107.245 111.176 -3.931 1 1 295 . 1 1 1 A 31 31 GLY H H 31 7.292 8.693 -1.401 1 1 296 . 1 1 1 A 31 31 GLY HA2 H 31 4.439 4.007 0.432 1 1 297 . 1 1 1 A 31 31 GLY HA3 H 31 4.000 4.018 -0.018 1 1 298 . 1 1 1 A 31 31 GLY C C 31 174.513 173.411 1.102 1 1 299 . 1 1 1 A 31 31 GLY CA C 31 43.589 44.864 -1.275 1 1 300 . 1 1 1 A 31 31 GLY N N 31 107.984 108.836 -0.852 1 1 301 . 1 1 1 A 32 32 ARG H H 32 8.065 8.420 -0.355 1 1 302 . 1 1 1 A 32 32 ARG HA H 32 4.380 4.575 -0.195 1 1 309 . 1 1 1 A 32 32 ARG C C 32 176.139 175.534 0.605 1 1 310 . 1 1 1 A 32 32 ARG CA C 32 57.354 55.753 1.601 1 1 311 . 1 1 1 A 32 32 ARG CB C 32 30.080 31.122 -1.042 1 1 314 . 1 1 1 A 32 32 ARG N N 32 121.733 121.631 0.102 1 1 315 . 1 1 1 A 33 33 ASP H H 33 8.916 8.510 0.406 1 1 316 . 1 1 1 A 33 33 ASP HA H 33 4.799 5.128 -0.329 1 1 319 . 1 1 1 A 33 33 ASP C C 33 176.381 176.920 -0.539 1 1 320 . 1 1 1 A 33 33 ASP CA C 33 53.783 52.148 1.635 1 1 321 . 1 1 1 A 33 33 ASP CB C 33 43.712 44.502 -0.790 1 1 322 . 1 1 1 A 33 33 ASP N N 33 126.313 126.491 -0.178 1 1 323 . 1 1 1 A 34 34 VAL H H 34 8.372 8.711 -0.339 1 1 324 . 1 1 1 A 34 34 VAL HA H 34 3.943 3.829 0.114 1 1 329 . 1 1 1 A 34 34 VAL C C 34 176.591 176.013 0.578 1 1 330 . 1 1 1 A 34 34 VAL CA C 34 64.644 64.315 0.329 1 1 331 . 1 1 1 A 34 34 VAL CB C 34 31.796 31.414 0.382 1 1 333 . 1 1 1 A 34 34 VAL N N 34 121.465 119.010 2.455 1 1 334 . 1 1 1 A 35 35 ALA H H 35 8.577 7.886 0.691 1 1 335 . 1 1 1 A 35 35 ALA HA H 35 4.386 4.410 -0.024 1 1 339 . 1 1 1 A 35 35 ALA C C 35 177.532 176.403 1.129 1 1 340 . 1 1 1 A 35 35 ALA CA C 35 52.589 51.582 1.007 1 1 341 . 1 1 1 A 35 35 ALA CB C 35 19.095 19.594 -0.499 1 1 342 . 1 1 1 A 35 35 ALA N N 35 123.222 123.655 -0.433 1 1 343 . 1 1 1 A 36 36 GLY H H 36 7.816 7.520 0.296 1 1 344 . 1 1 1 A 36 36 GLY HA2 H 36 4.274 3.999 0.275 1 1 345 . 1 1 1 A 36 36 GLY HA3 H 36 3.723 4.001 -0.278 1 1 346 . 1 1 1 A 36 36 GLY C C 36 172.610 172.006 0.604 1 1 347 . 1 1 1 A 36 36 GLY CA C 36 45.161 45.231 -0.070 1 1 348 . 1 1 1 A 36 36 GLY N N 36 107.925 106.704 1.221 1 1 349 . 1 1 1 A 37 37 ASP H H 37 8.604 8.912 -0.308 1 1 350 . 1 1 1 A 37 37 ASP HA H 37 4.810 5.533 -0.723 1 1 353 . 1 1 1 A 37 37 ASP C C 37 176.081 175.017 1.064 1 1 354 . 1 1 1 A 37 37 ASP CA C 37 54.700 52.788 1.912 1 1 355 . 1 1 1 A 37 37 ASP CB C 37 41.076 42.018 -0.942 1 1 356 . 1 1 1 A 37 37 ASP N N 37 124.969 119.081 5.888 1 1 357 . 1 1 1 A 38 38 THR H H 38 7.679 8.749 -1.070 1 1 358 . 1 1 1 A 38 38 THR HA H 38 4.704 5.085 -0.381 1 1 363 . 1 1 1 A 38 38 THR C C 38 172.712 171.747 0.965 1 1 364 . 1 1 1 A 38 38 THR CA C 38 59.810 58.212 1.598 1 1 365 . 1 1 1 A 38 38 THR CB C 38 70.420 70.549 -0.129 1 1 367 . 1 1 1 A 38 38 THR N N 38 116.498 114.662 1.836 1 1 368 . 1 1 1 A 39 39 PRO HA H 39 4.305 4.596 -0.291 1 1 375 . 1 1 1 A 39 39 PRO C C 39 176.355 176.971 -0.616 1 1 376 . 1 1 1 A 39 39 PRO CA C 39 63.304 62.736 0.568 1 1 377 . 1 1 1 A 39 39 PRO CB C 39 32.703 31.656 1.047 1 1 380 . 1 1 1 A 40 40 LEU H H 40 8.247 8.163 0.084 1 1 381 . 1 1 1 A 40 40 LEU HA H 40 4.704 4.228 0.476 1 1 391 . 1 1 1 A 40 40 LEU C C 40 176.631 177.194 -0.563 1 1 392 . 1 1 1 A 40 40 LEU CA C 40 55.352 55.386 -0.034 1 1 393 . 1 1 1 A 40 40 LEU CB C 40 42.524 42.351 0.173 1 1 397 . 1 1 1 A 40 40 LEU N N 40 125.558 123.932 1.626 1 1 398 . 1 1 1 A 41 41 ALA H H 41 8.856 8.239 0.617 1 1 399 . 1 1 1 A 41 41 ALA HA H 41 5.465 5.238 0.227 1 1 403 . 1 1 1 A 41 41 ALA C C 41 176.658 176.293 0.365 1 1 404 . 1 1 1 A 41 41 ALA CA C 41 50.503 51.571 -1.068 1 1 405 . 1 1 1 A 41 41 ALA CB C 41 24.074 22.799 1.275 1 1 406 . 1 1 1 A 41 41 ALA N N 41 128.426 125.937 2.489 1 1 407 . 1 1 1 A 42 42 VAL H H 42 9.160 8.354 0.806 1 1 408 . 1 1 1 A 42 42 VAL HA H 42 3.803 4.134 -0.331 1 1 416 . 1 1 1 A 42 42 VAL C C 42 176.499 175.732 0.767 1 1 417 . 1 1 1 A 42 42 VAL CA C 42 64.196 63.814 0.382 1 1 418 . 1 1 1 A 42 42 VAL CB C 42 31.773 32.028 -0.255 1 1 421 . 1 1 1 A 42 42 VAL N N 42 119.342 123.711 -4.369 1 1 422 . 1 1 1 A 43 43 ARG H H 43 9.385 9.172 0.213 1 1 423 . 1 1 1 A 43 43 ARG HA H 43 4.527 4.465 0.062 1 1 430 . 1 1 1 A 43 43 ARG C C 43 175.332 175.784 -0.452 1 1 431 . 1 1 1 A 43 43 ARG CA C 43 55.340 57.090 -1.750 1 1 432 . 1 1 1 A 43 43 ARG CB C 43 32.242 32.410 -0.168 1 1 435 . 1 1 1 A 43 43 ARG N N 43 131.043 127.739 3.304 1 1 436 . 1 1 1 A 44 44 GLY H H 44 7.872 7.871 0.001 1 1 437 . 1 1 1 A 44 44 GLY HA2 H 44 4.155 4.210 -0.055 1 1 438 . 1 1 1 A 44 44 GLY HA3 H 44 3.765 4.213 -0.448 1 1 439 . 1 1 1 A 44 44 GLY C C 44 170.284 171.818 -1.534 1 1 440 . 1 1 1 A 44 44 GLY CA C 44 45.602 44.002 1.600 1 1 441 . 1 1 1 A 44 44 GLY N N 44 107.517 107.628 -0.111 1 1 442 . 1 1 1 A 45 45 LEU H H 45 8.455 9.543 -1.088 1 1 443 . 1 1 1 A 45 45 LEU HA H 45 4.915 4.932 -0.017 1 1 453 . 1 1 1 A 45 45 LEU C C 45 175.215 176.884 -1.669 1 1 454 . 1 1 1 A 45 45 LEU CA C 45 52.795 53.797 -1.002 1 1 455 . 1 1 1 A 45 45 LEU CB C 45 44.824 43.614 1.210 1 1 459 . 1 1 1 A 45 45 LEU N N 45 121.812 124.103 -2.291 1 1 460 . 1 1 1 A 46 46 LEU H H 46 7.582 8.776 -1.194 1 1 461 . 1 1 1 A 46 46 LEU HA H 46 4.208 4.340 -0.132 1 1 471 . 1 1 1 A 46 46 LEU C C 46 177.935 176.576 1.359 1 1 472 . 1 1 1 A 46 46 LEU CA C 46 54.984 56.095 -1.111 1 1 473 . 1 1 1 A 46 46 LEU CB C 46 42.815 42.540 0.275 1 1 477 . 1 1 1 A 46 46 LEU N N 46 124.670 128.526 -3.856 1 1 478 . 1 1 1 A 47 47 LYS H H 47 8.959 8.654 0.305 1 1 479 . 1 1 1 A 47 47 LYS HA H 47 3.875 3.879 -0.004 1 1 488 . 1 1 1 A 47 47 LYS C C 47 176.699 177.050 -0.351 1 1 489 . 1 1 1 A 47 47 LYS CA C 47 58.861 58.354 0.507 1 1 490 . 1 1 1 A 47 47 LYS CB C 47 32.076 32.181 -0.105 1 1 494 . 1 1 1 A 47 47 LYS N N 47 129.726 127.420 2.306 1 1 495 . 1 1 1 A 48 48 ASP H H 48 8.845 9.055 -0.210 1 1 496 . 1 1 1 A 48 48 ASP HA H 48 4.395 4.297 0.098 1 1 499 . 1 1 1 A 48 48 ASP C C 48 175.442 175.321 0.121 1 1 500 . 1 1 1 A 48 48 ASP CA C 48 56.632 55.370 1.262 1 1 501 . 1 1 1 A 48 48 ASP CB C 48 39.740 40.203 -0.463 1 1 502 . 1 1 1 A 48 48 ASP N N 48 119.883 126.023 -6.140 1 1 503 . 1 1 1 A 49 49 GLY H H 49 7.947 7.870 0.077 1 1 504 . 1 1 1 A 49 49 GLY HA2 H 49 4.578 4.127 0.451 1 1 505 . 1 1 1 A 49 49 GLY HA3 H 49 3.748 4.134 -0.386 1 1 506 . 1 1 1 A 49 49 GLY C C 49 172.008 174.723 -2.715 1 1 507 . 1 1 1 A 49 49 GLY CA C 49 45.000 43.940 1.060 1 1 508 . 1 1 1 A 49 49 GLY N N 49 106.565 108.255 -1.690 1 1 509 . 1 1 1 A 50 50 PRO HA H 50 4.268 4.426 -0.158 1 1 516 . 1 1 1 A 50 50 PRO C C 50 179.273 178.146 1.127 1 1 517 . 1 1 1 A 50 50 PRO CA C 50 65.791 64.897 0.894 1 1 518 . 1 1 1 A 50 50 PRO CB C 50 32.532 32.088 0.444 1 1 521 . 1 1 1 A 51 51 ALA H H 51 7.805 8.216 -0.411 1 1 522 . 1 1 1 A 51 51 ALA HA H 51 4.167 4.128 0.039 1 1 526 . 1 1 1 A 51 51 ALA C C 51 178.947 179.812 -0.865 1 1 527 . 1 1 1 A 51 51 ALA CA C 51 55.079 55.227 -0.148 1 1 528 . 1 1 1 A 51 51 ALA CB C 51 18.988 18.599 0.389 1 1 529 . 1 1 1 A 51 51 ALA N N 51 119.037 119.589 -0.552 1 1 530 . 1 1 1 A 52 52 GLN H H 52 9.614 8.033 1.581 1 1 531 . 1 1 1 A 52 52 GLN HA H 52 3.969 3.982 -0.013 1 1 538 . 1 1 1 A 52 52 GLN C C 52 178.509 177.993 0.516 1 1 539 . 1 1 1 A 52 52 GLN CA C 52 59.529 59.309 0.220 1 1 540 . 1 1 1 A 52 52 GLN CB C 52 29.107 28.584 0.523 1 1 542 . 1 1 1 A 52 52 GLN N N 52 122.017 118.086 3.931 1 1 544 . 1 1 1 A 53 53 ARG H H 53 8.524 7.970 0.554 1 1 545 . 1 1 1 A 53 53 ARG HA H 53 3.996 4.063 -0.067 1 1 552 . 1 1 1 A 53 53 ARG C C 53 178.479 178.916 -0.437 1 1 553 . 1 1 1 A 53 53 ARG CA C 53 58.825 59.574 -0.749 1 1 554 . 1 1 1 A 53 53 ARG CB C 53 30.546 30.216 0.330 1 1 557 . 1 1 1 A 53 53 ARG N N 53 116.703 118.690 -1.987 1 1 558 . 1 1 1 A 54 54 CYS H H 54 7.589 7.319 0.270 1 1 559 . 1 1 1 A 54 54 CYS HA H 54 4.641 4.295 0.346 1 1 562 . 1 1 1 A 54 54 CYS C C 54 175.840 175.127 0.713 1 1 563 . 1 1 1 A 54 54 CYS CA C 54 59.724 60.531 -0.807 1 1 564 . 1 1 1 A 54 54 CYS CB C 54 27.419 28.005 -0.586 1 1 565 . 1 1 1 A 54 54 CYS N N 54 113.424 118.143 -4.719 1 1 566 . 1 1 1 A 55 55 GLY H H 55 7.436 7.415 0.021 1 1 567 . 1 1 1 A 55 55 GLY HA2 H 55 4.082 3.916 0.166 1 1 568 . 1 1 1 A 55 55 GLY HA3 H 55 4.082 3.924 0.158 1 1 569 . 1 1 1 A 55 55 GLY C C 55 174.435 175.212 -0.777 1 1 570 . 1 1 1 A 55 55 GLY CA C 55 46.977 45.762 1.215 1 1 571 . 1 1 1 A 55 55 GLY N N 55 109.572 108.367 1.205 1 1 572 . 1 1 1 A 56 56 ARG H H 56 7.860 8.247 -0.387 1 1 573 . 1 1 1 A 56 56 ARG HA H 56 4.472 4.168 0.304 1 1 580 . 1 1 1 A 56 56 ARG C C 56 174.959 176.520 -1.561 1 1 581 . 1 1 1 A 56 56 ARG CA C 56 55.687 58.168 -2.481 1 1 582 . 1 1 1 A 56 56 ARG CB C 56 32.785 30.794 1.991 1 1 585 . 1 1 1 A 56 56 ARG N N 56 118.137 118.444 -0.307 1 1 586 . 1 1 1 A 57 57 LEU H H 57 8.219 7.848 0.371 1 1 587 . 1 1 1 A 57 57 LEU HA H 57 4.926 4.843 0.083 1 1 597 . 1 1 1 A 57 57 LEU C C 57 175.333 175.751 -0.418 1 1 598 . 1 1 1 A 57 57 LEU CA C 57 53.043 53.329 -0.286 1 1 599 . 1 1 1 A 57 57 LEU CB C 57 46.459 43.615 2.844 1 1 603 . 1 1 1 A 57 57 LEU N N 57 117.496 120.753 -3.257 1 1 604 . 1 1 1 A 58 58 GLU H H 58 9.053 8.864 0.189 1 1 605 . 1 1 1 A 58 58 GLU HA H 58 4.460 4.916 -0.456 1 1 610 . 1 1 1 A 58 58 GLU C C 58 175.683 176.260 -0.577 1 1 611 . 1 1 1 A 58 58 GLU CA C 58 54.144 54.133 0.011 1 1 612 . 1 1 1 A 58 58 GLU CB C 58 33.286 33.806 -0.520 1 1 614 . 1 1 1 A 58 58 GLU N N 58 121.883 122.317 -0.434 1 1 615 . 1 1 1 A 59 59 VAL H H 59 8.727 8.568 0.159 1 1 616 . 1 1 1 A 59 59 VAL HA H 59 3.213 3.534 -0.321 1 1 624 . 1 1 1 A 59 59 VAL C C 59 177.728 177.005 0.723 1 1 625 . 1 1 1 A 59 59 VAL CA C 59 65.823 65.530 0.293 1 1 626 . 1 1 1 A 59 59 VAL CB C 59 31.151 31.265 -0.114 1 1 629 . 1 1 1 A 59 59 VAL N N 59 121.698 122.464 -0.766 1 1 630 . 1 1 1 A 60 60 GLY H H 60 9.172 8.602 0.570 1 1 631 . 1 1 1 A 60 60 GLY HA2 H 60 4.500 4.002 0.498 1 1 632 . 1 1 1 A 60 60 GLY HA3 H 60 3.469 4.008 -0.539 1 1 633 . 1 1 1 A 60 60 GLY C C 60 173.646 174.023 -0.377 1 1 634 . 1 1 1 A 60 60 GLY CA C 60 44.148 45.040 -0.892 1 1 635 . 1 1 1 A 60 60 GLY N N 60 117.734 115.257 2.477 1 1 636 . 1 1 1 A 61 61 ASP H H 61 7.877 7.890 -0.013 1 1 637 . 1 1 1 A 61 61 ASP HA H 61 4.551 4.626 -0.075 1 1 640 . 1 1 1 A 61 61 ASP C C 61 175.437 175.265 0.172 1 1 641 . 1 1 1 A 61 61 ASP CA C 61 56.057 55.473 0.584 1 1 642 . 1 1 1 A 61 61 ASP CB C 61 40.660 41.669 -1.009 1 1 643 . 1 1 1 A 61 61 ASP N N 61 121.399 121.870 -0.471 1 1 644 . 1 1 1 A 62 62 LEU H H 62 8.773 8.615 0.158 1 1 645 . 1 1 1 A 62 62 LEU HA H 62 4.713 4.942 -0.229 1 1 655 . 1 1 1 A 62 62 LEU C C 62 176.560 176.038 0.522 1 1 656 . 1 1 1 A 62 62 LEU CA C 62 54.259 53.397 0.862 1 1 657 . 1 1 1 A 62 62 LEU CB C 62 42.022 44.000 -1.978 1 1 661 . 1 1 1 A 62 62 LEU N N 62 120.566 123.415 -2.849 1 1 662 . 1 1 1 A 63 63 VAL H H 63 8.121 9.045 -0.924 1 1 663 . 1 1 1 A 63 63 VAL HA H 63 4.113 4.452 -0.339 1 1 671 . 1 1 1 A 63 63 VAL C C 63 175.468 175.336 0.132 1 1 672 . 1 1 1 A 63 63 VAL CA C 63 61.763 61.551 0.212 1 1 673 . 1 1 1 A 63 63 VAL CB C 63 31.413 33.092 -1.679 1 1 676 . 1 1 1 A 63 63 VAL N N 63 121.172 123.634 -2.462 1 1 677 . 1 1 1 A 64 64 LEU H H 64 9.077 8.522 0.555 1 1 678 . 1 1 1 A 64 64 LEU HA H 64 4.113 4.223 -0.110 1 1 688 . 1 1 1 A 64 64 LEU C C 64 177.611 176.252 1.359 1 1 689 . 1 1 1 A 64 64 LEU CA C 64 56.614 55.289 1.325 1 1 690 . 1 1 1 A 64 64 LEU CB C 64 42.994 42.632 0.362 1 1 694 . 1 1 1 A 64 64 LEU N N 64 130.175 127.881 2.294 1 1 695 . 1 1 1 A 65 65 HIS H H 65 7.510 7.592 -0.082 1 1 696 . 1 1 1 A 65 65 HIS HA H 65 5.297 5.143 0.154 1 1 701 . 1 1 1 A 65 65 HIS C C 65 174.833 173.585 1.248 1 1 702 . 1 1 1 A 65 65 HIS CA C 65 55.715 54.457 1.258 1 1 703 . 1 1 1 A 65 65 HIS CB C 65 35.813 34.349 1.464 1 1 706 . 1 1 1 A 65 65 HIS N N 65 115.096 114.352 0.744 1 1 707 . 1 1 1 A 66 66 ILE H H 66 8.675 8.623 0.052 1 1 708 . 1 1 1 A 66 66 ILE HA H 66 4.320 4.393 -0.073 1 1 718 . 1 1 1 A 66 66 ILE C C 66 175.571 175.858 -0.287 1 1 719 . 1 1 1 A 66 66 ILE CA C 66 60.510 60.164 0.346 1 1 720 . 1 1 1 A 66 66 ILE CB C 66 41.360 40.819 0.541 1 1 724 . 1 1 1 A 66 66 ILE N N 66 119.474 119.804 -0.330 1 1 725 . 1 1 1 A 67 67 ASN H H 67 10.170 9.844 0.326 1 1 726 . 1 1 1 A 67 67 ASN HA H 67 4.595 4.667 -0.072 1 1 731 . 1 1 1 A 67 67 ASN C C 67 175.349 175.562 -0.213 1 1 732 . 1 1 1 A 67 67 ASN CA C 67 54.589 54.654 -0.065 1 1 733 . 1 1 1 A 67 67 ASN CB C 67 37.267 37.397 -0.130 1 1 734 . 1 1 1 A 67 67 ASN N N 67 129.216 127.080 2.136 1 1 736 . 1 1 1 A 68 68 GLY H H 68 9.396 8.766 0.630 1 1 737 . 1 1 1 A 68 68 GLY HA2 H 68 4.155 3.885 0.270 1 1 738 . 1 1 1 A 68 68 GLY HA3 H 68 3.585 3.900 -0.315 1 1 739 . 1 1 1 A 68 68 GLY C C 68 173.920 173.810 0.110 1 1 740 . 1 1 1 A 68 68 GLY CA C 68 45.267 46.023 -0.756 1 1 741 . 1 1 1 A 68 68 GLY N N 68 104.067 103.748 0.319 1 1 742 . 1 1 1 A 69 69 GLU H H 69 7.815 8.351 -0.536 1 1 743 . 1 1 1 A 69 69 GLU HA H 69 4.619 4.742 -0.123 1 1 748 . 1 1 1 A 69 69 GLU C C 69 175.696 175.083 0.613 1 1 749 . 1 1 1 A 69 69 GLU CA C 69 54.803 54.430 0.373 1 1 750 . 1 1 1 A 69 69 GLU CB C 69 32.281 32.349 -0.068 1 1 752 . 1 1 1 A 69 69 GLU N N 69 121.337 119.913 1.424 1 1 753 . 1 1 1 A 70 70 SER H H 70 8.867 8.818 0.049 1 1 754 . 1 1 1 A 70 70 SER HA H 70 4.411 4.699 -0.288 1 1 757 . 1 1 1 A 70 70 SER C C 70 176.409 175.599 0.810 1 1 758 . 1 1 1 A 70 70 SER CA C 70 58.034 57.734 0.300 1 1 759 . 1 1 1 A 70 70 SER CB C 70 63.432 63.508 -0.076 1 1 760 . 1 1 1 A 70 70 SER N N 70 119.566 117.761 1.805 1 1 761 . 1 1 1 A 71 71 THR H H 71 7.914 9.023 -1.109 1 1 762 . 1 1 1 A 71 71 THR HA H 71 4.162 4.459 -0.297 1 1 767 . 1 1 1 A 71 71 THR C C 71 175.433 175.691 -0.258 1 1 768 . 1 1 1 A 71 71 THR CA C 71 60.921 62.811 -1.890 1 1 769 . 1 1 1 A 71 71 THR CB C 71 68.671 69.188 -0.517 1 1 771 . 1 1 1 A 71 71 THR N N 71 114.514 122.594 -8.080 1 1 772 . 1 1 1 A 72 72 GLN H H 72 8.131 7.968 0.163 1 1 773 . 1 1 1 A 72 72 GLN HA H 72 4.020 4.164 -0.144 1 1 780 . 1 1 1 A 72 72 GLN C C 72 176.950 177.486 -0.536 1 1 781 . 1 1 1 A 72 72 GLN CA C 72 58.361 58.589 -0.228 1 1 782 . 1 1 1 A 72 72 GLN CB C 72 28.079 28.789 -0.710 1 1 784 . 1 1 1 A 72 72 GLN N N 72 124.809 120.467 4.342 1 1 786 . 1 1 1 A 73 73 GLY H H 73 9.025 7.896 1.129 1 1 787 . 1 1 1 A 73 73 GLY HA2 H 73 4.092 4.089 0.003 1 1 788 . 1 1 1 A 73 73 GLY HA3 H 73 3.754 4.089 -0.335 1 1 789 . 1 1 1 A 73 73 GLY C C 73 173.971 173.292 0.679 1 1 790 . 1 1 1 A 73 73 GLY CA C 73 45.373 45.412 -0.039 1 1 791 . 1 1 1 A 73 73 GLY N N 73 114.015 107.190 6.825 1 1 792 . 1 1 1 A 74 74 LEU H H 74 7.672 7.509 0.163 1 1 793 . 1 1 1 A 74 74 LEU HA H 74 4.768 4.562 0.206 1 1 803 . 1 1 1 A 74 74 LEU C C 74 179.964 176.737 3.227 1 1 804 . 1 1 1 A 74 74 LEU CA C 74 54.682 54.001 0.681 1 1 805 . 1 1 1 A 74 74 LEU CB C 74 42.355 42.476 -0.121 1 1 809 . 1 1 1 A 74 74 LEU N N 74 118.933 121.068 -2.135 1 1 810 . 1 1 1 A 75 75 THR H H 75 8.911 8.959 -0.048 1 1 811 . 1 1 1 A 75 75 THR HA H 75 4.799 4.664 0.135 1 1 816 . 1 1 1 A 75 75 THR C C 75 174.971 175.383 -0.412 1 1 817 . 1 1 1 A 75 75 THR CA C 75 60.571 60.831 -0.260 1 1 818 . 1 1 1 A 75 75 THR CB C 75 71.058 71.260 -0.202 1 1 820 . 1 1 1 A 75 75 THR N N 75 113.687 117.251 -3.564 1 1 821 . 1 1 1 A 76 76 HIS H H 76 9.474 9.086 0.388 1 1 822 . 1 1 1 A 76 76 HIS HA H 76 3.997 4.181 -0.184 1 1 826 . 1 1 1 A 76 76 HIS C C 76 176.917 177.095 -0.178 1 1 827 . 1 1 1 A 76 76 HIS CA C 76 61.208 59.538 1.670 1 1 828 . 1 1 1 A 76 76 HIS CB C 76 29.729 29.743 -0.014 1 1 830 . 1 1 1 A 76 76 HIS N N 76 122.022 121.659 0.363 1 1 831 . 1 1 1 A 77 77 ALA H H 77 8.457 7.810 0.647 1 1 832 . 1 1 1 A 77 77 ALA HA H 77 3.946 3.920 0.026 1 1 836 . 1 1 1 A 77 77 ALA C C 77 181.502 179.702 1.800 1 1 837 . 1 1 1 A 77 77 ALA CA C 77 55.282 54.233 1.049 1 1 838 . 1 1 1 A 77 77 ALA CB C 77 18.162 18.685 -0.523 1 1 839 . 1 1 1 A 77 77 ALA N N 77 119.389 120.956 -1.567 1 1 840 . 1 1 1 A 78 78 GLN H H 78 7.991 7.350 0.641 1 1 841 . 1 1 1 A 78 78 GLN HA H 78 4.029 4.051 -0.022 1 1 848 . 1 1 1 A 78 78 GLN C C 78 179.215 178.625 0.590 1 1 849 . 1 1 1 A 78 78 GLN CA C 78 58.562 58.505 0.057 1 1 850 . 1 1 1 A 78 78 GLN CB C 78 29.592 28.248 1.344 1 1 852 . 1 1 1 A 78 78 GLN N N 78 117.510 118.086 -0.576 1 1 854 . 1 1 1 A 79 79 ALA H H 79 8.367 8.067 0.300 1 1 855 . 1 1 1 A 79 79 ALA HA H 79 3.775 4.072 -0.297 1 1 859 . 1 1 1 A 79 79 ALA C C 79 178.754 179.779 -1.025 1 1 860 . 1 1 1 A 79 79 ALA CA C 79 55.828 55.120 0.708 1 1 861 . 1 1 1 A 79 79 ALA CB C 79 18.733 18.692 0.041 1 1 862 . 1 1 1 A 79 79 ALA N N 79 123.463 123.164 0.299 1 1 863 . 1 1 1 A 80 80 VAL H H 80 8.228 7.713 0.515 1 1 864 . 1 1 1 A 80 80 VAL HA H 80 3.510 3.532 -0.022 1 1 872 . 1 1 1 A 80 80 VAL C C 80 179.087 177.777 1.310 1 1 873 . 1 1 1 A 80 80 VAL CA C 80 66.912 66.898 0.014 1 1 874 . 1 1 1 A 80 80 VAL CB C 80 31.781 31.518 0.263 1 1 877 . 1 1 1 A 80 80 VAL N N 80 116.720 118.118 -1.398 1 1 878 . 1 1 1 A 81 81 GLU H H 81 7.834 7.756 0.078 1 1 879 . 1 1 1 A 81 81 GLU HA H 81 4.195 3.946 0.249 1 1 884 . 1 1 1 A 81 81 GLU C C 81 178.847 178.762 0.085 1 1 885 . 1 1 1 A 81 81 GLU CA C 81 59.100 59.855 -0.755 1 1 886 . 1 1 1 A 81 81 GLU CB C 81 28.818 29.425 -0.607 1 1 888 . 1 1 1 A 81 81 GLU N N 81 121.198 119.930 1.268 1 1 889 . 1 1 1 A 82 82 ARG H H 82 8.004 7.830 0.174 1 1 890 . 1 1 1 A 82 82 ARG HA H 82 4.021 3.992 0.029 1 1 897 . 1 1 1 A 82 82 ARG C C 82 179.863 178.558 1.305 1 1 898 . 1 1 1 A 82 82 ARG CA C 82 58.487 58.872 -0.385 1 1 899 . 1 1 1 A 82 82 ARG CB C 82 29.026 30.064 -1.038 1 1 902 . 1 1 1 A 82 82 ARG N N 82 119.267 118.173 1.094 1 1 903 . 1 1 1 A 83 83 ILE H H 83 7.875 7.903 -0.028 1 1 904 . 1 1 1 A 83 83 ILE HA H 83 3.467 3.615 -0.148 1 1 914 . 1 1 1 A 83 83 ILE C C 83 179.211 177.911 1.300 1 1 915 . 1 1 1 A 83 83 ILE CA C 83 65.491 64.976 0.515 1 1 916 . 1 1 1 A 83 83 ILE CB C 83 38.055 37.843 0.212 1 1 920 . 1 1 1 A 83 83 ILE N N 83 120.039 120.682 -0.643 1 1 921 . 1 1 1 A 84 84 ARG H H 84 8.207 8.551 -0.344 1 1 922 . 1 1 1 A 84 84 ARG HA H 84 4.125 4.162 -0.037 1 1 929 . 1 1 1 A 84 84 ARG C C 84 179.062 179.390 -0.328 1 1 930 . 1 1 1 A 84 84 ARG CA C 84 59.643 59.901 -0.258 1 1 931 . 1 1 1 A 84 84 ARG CB C 84 30.197 30.194 0.003 1 1 934 . 1 1 1 A 84 84 ARG N N 84 121.315 119.901 1.414 1 1 935 . 1 1 1 A 85 85 ALA H H 85 8.366 8.419 -0.053 1 1 936 . 1 1 1 A 85 85 ALA HA H 85 4.241 4.093 0.148 1 1 940 . 1 1 1 A 85 85 ALA C C 85 179.042 179.821 -0.779 1 1 941 . 1 1 1 A 85 85 ALA CA C 85 53.695 54.812 -1.117 1 1 942 . 1 1 1 A 85 85 ALA CB C 85 18.806 18.606 0.200 1 1 943 . 1 1 1 A 85 85 ALA N N 85 120.166 121.969 -1.803 1 1 944 . 1 1 1 A 86 86 GLY H H 86 7.470 8.242 -0.772 1 1 945 . 1 1 1 A 86 86 GLY HA2 H 86 4.134 3.964 0.170 1 1 946 . 1 1 1 A 86 86 GLY HA3 H 86 4.134 3.980 0.154 1 1 947 . 1 1 1 A 86 86 GLY C C 86 174.699 174.799 -0.100 1 1 948 . 1 1 1 A 86 86 GLY CA C 86 45.902 46.988 -1.086 1 1 949 . 1 1 1 A 86 86 GLY N N 86 104.067 105.906 -1.839 1 1 950 . 1 1 1 A 87 87 GLY H H 87 7.688 7.384 0.304 1 1 951 . 1 1 1 A 87 87 GLY HA2 H 87 4.528 4.118 0.410 1 1 952 . 1 1 1 A 87 87 GLY HA3 H 87 3.835 4.121 -0.286 1 1 953 . 1 1 1 A 87 87 GLY C C 87 173.611 174.026 -0.415 1 1 954 . 1 1 1 A 87 87 GLY CA C 87 44.677 44.166 0.511 1 1 955 . 1 1 1 A 87 87 GLY N N 87 107.458 105.856 1.602 1 1 956 . 1 1 1 A 88 88 PRO HA H 88 4.306 4.547 -0.241 1 1 963 . 1 1 1 A 88 88 PRO C C 88 175.247 176.404 -1.157 1 1 964 . 1 1 1 A 88 88 PRO CA C 88 64.596 64.002 0.594 1 1 965 . 1 1 1 A 88 88 PRO CB C 88 32.405 31.961 0.444 1 1 968 . 1 1 1 A 89 89 GLN H H 89 7.606 8.013 -0.407 1 1 969 . 1 1 1 A 89 89 GLN HA H 89 5.343 5.032 0.311 1 1 976 . 1 1 1 A 89 89 GLN C C 89 173.750 173.964 -0.214 1 1 977 . 1 1 1 A 89 89 GLN CA C 89 54.626 54.570 0.056 1 1 978 . 1 1 1 A 89 89 GLN CB C 89 31.870 31.767 0.103 1 1 980 . 1 1 1 A 89 89 GLN N N 89 116.964 119.115 -2.151 1 1 982 . 1 1 1 A 90 90 LEU H H 90 8.610 8.464 0.146 1 1 983 . 1 1 1 A 90 90 LEU HA H 90 4.757 4.827 -0.070 1 1 993 . 1 1 1 A 90 90 LEU C C 90 173.607 175.406 -1.799 1 1 994 . 1 1 1 A 90 90 LEU CA C 90 53.730 53.618 0.112 1 1 995 . 1 1 1 A 90 90 LEU CB C 90 45.549 44.165 1.384 1 1 999 . 1 1 1 A 90 90 LEU N N 90 124.460 126.326 -1.866 1 1 1000 . 1 1 1 A 91 91 HIS H H 91 8.826 8.881 -0.055 1 1 1001 . 1 1 1 A 91 91 HIS HA H 91 5.207 5.472 -0.265 1 1 1006 . 1 1 1 A 91 91 HIS C C 91 174.745 173.248 1.497 1 1 1007 . 1 1 1 A 91 91 HIS CA C 91 55.093 54.804 0.289 1 1 1008 . 1 1 1 A 91 91 HIS CB C 91 32.686 33.036 -0.350 1 1 1011 . 1 1 1 A 91 91 HIS N N 91 126.871 125.823 1.048 1 1 1012 . 1 1 1 A 92 92 LEU H H 92 9.024 8.328 0.696 1 1 1013 . 1 1 1 A 92 92 LEU HA H 92 5.203 4.895 0.308 1 1 1023 . 1 1 1 A 92 92 LEU C C 92 175.889 175.204 0.685 1 1 1024 . 1 1 1 A 92 92 LEU CA C 92 52.955 53.132 -0.177 1 1 1025 . 1 1 1 A 92 92 LEU CB C 92 46.233 45.664 0.569 1 1 1029 . 1 1 1 A 92 92 LEU N N 92 125.837 128.828 -2.991 1 1 1030 . 1 1 1 A 93 93 VAL H H 93 7.739 8.827 -1.088 1 1 1031 . 1 1 1 A 93 93 VAL HA H 93 4.568 4.542 0.026 1 1 1039 . 1 1 1 A 93 93 VAL C C 93 174.538 174.917 -0.379 1 1 1040 . 1 1 1 A 93 93 VAL CA C 93 62.666 61.708 0.958 1 1 1041 . 1 1 1 A 93 93 VAL CB C 93 32.838 32.003 0.835 1 1 1044 . 1 1 1 A 93 93 VAL N N 93 120.566 124.044 -3.478 1 1 1045 . 1 1 1 A 94 94 ILE H H 94 8.965 8.532 0.433 1 1 1046 . 1 1 1 A 94 94 ILE HA H 94 5.152 4.827 0.325 1 1 1056 . 1 1 1 A 94 94 ILE C C 94 174.723 173.943 0.780 1 1 1057 . 1 1 1 A 94 94 ILE CA C 94 56.360 59.466 -3.106 1 1 1058 . 1 1 1 A 94 94 ILE CB C 94 39.214 40.295 -1.081 1 1 1062 . 1 1 1 A 94 94 ILE N N 94 128.952 127.648 1.304 1 1 1063 . 1 1 1 A 95 95 ARG H H 95 8.286 8.748 -0.462 1 1 1064 . 1 1 1 A 95 95 ARG HA H 95 4.715 4.905 -0.190 1 1 1071 . 1 1 1 A 95 95 ARG C C 95 173.665 175.249 -1.584 1 1 1072 . 1 1 1 A 95 95 ARG CA C 95 54.982 54.509 0.473 1 1 1073 . 1 1 1 A 95 95 ARG CB C 95 34.833 33.269 1.564 1 1 1076 . 1 1 1 A 95 95 ARG N N 95 120.920 128.467 -7.547 1 1 1077 . 1 1 1 A 96 96 ARG H H 96 9.238 8.919 0.319 1 1 1078 . 1 1 1 A 96 96 ARG HA H 96 4.984 4.290 0.694 1 1 1086 . 1 1 1 A 96 96 ARG C C 96 174.582 174.983 -0.401 1 1 1087 . 1 1 1 A 96 96 ARG CA C 96 53.219 54.428 -1.209 1 1 1088 . 1 1 1 A 96 96 ARG CB C 96 31.369 30.866 0.503 1 1 1091 . 1 1 1 A 96 96 ARG N N 96 129.955 128.919 1.036 1 1 1093 . 1 1 1 A 97 97 PRO HA H 97 4.424 4.615 -0.191 1 1 1100 . 1 1 1 A 97 97 PRO C C 97 176.289 175.723 0.566 1 1 1101 . 1 1 1 A 97 97 PRO CA C 97 63.322 62.360 0.962 1 1 1102 . 1 1 1 A 97 97 PRO CB C 97 32.240 32.532 -0.292 1 1 1105 . 1 1 1 A 98 98 LEU H H 98 8.325 8.355 -0.030 1 1 1106 . 1 1 1 A 98 98 LEU HA H 98 4.399 4.831 -0.432 1 1 1116 . 1 1 1 A 98 98 LEU C C 98 177.395 175.845 1.550 1 1 1117 . 1 1 1 A 98 98 LEU CA C 98 55.165 53.710 1.455 1 1 1118 . 1 1 1 A 98 98 LEU CB C 98 42.419 43.599 -1.180 1 1 1122 . 1 1 1 A 98 98 LEU N N 98 122.396 122.890 -0.494 1 1 1123 . 1 1 1 A 99 99 SER H H 99 8.333 8.874 -0.541 1 1 1124 . 1 1 1 A 99 99 SER HA H 99 4.483 5.216 -0.733 1 1 1127 . 1 1 1 A 99 99 SER C C 99 174.489 173.324 1.165 1 1 1128 . 1 1 1 A 99 99 SER CA C 99 58.138 56.465 1.673 1 1 1129 . 1 1 1 A 99 99 SER CB C 99 63.846 66.238 -2.392 1 1 1130 . 1 1 1 A 99 99 SER N N 99 116.892 119.707 -2.815 1 1 1131 . 1 1 1 A 100 100 GLY H H 100 8.253 8.674 -0.421 1 1 1132 . 1 1 1 A 100 100 GLY HA2 H 100 4.177 4.180 -0.003 1 1 1133 . 1 1 1 A 100 100 GLY HA3 H 100 4.101 4.180 -0.079 1 1 1134 . 1 1 1 A 100 100 GLY C C 100 171.838 173.233 -1.395 1 1 1135 . 1 1 1 A 100 100 GLY CA C 100 44.679 44.240 0.439 1 1 1136 . 1 1 1 A 100 100 GLY N N 100 110.703 107.972 2.731 1 1 1137 . 1 1 1 A 101 101 PRO HA H 101 4.480 4.449 0.031 1 1 1144 . 1 1 1 A 101 101 PRO C C 101 177.411 177.056 0.355 1 1 1145 . 1 1 1 A 101 101 PRO CA C 101 63.312 62.828 0.484 1 1 1146 . 1 1 1 A 101 101 PRO CB C 101 32.158 32.288 -0.130 1 1 1149 . 1 1 1 A 102 102 SER H H 102 8.517 8.453 0.064 1 1 1150 . 1 1 1 A 102 102 SER C C 102 174.655 174.518 0.137 1 1 1151 . 1 1 1 A 102 102 SER CA C 102 58.438 57.870 0.568 1 1 1152 . 1 1 1 A 102 102 SER CB C 102 63.970 63.831 0.139 1 1 1 . 2 1 1 A 2 2 SER HA H 2 4.493 4.496 -0.003 1 1 4 . 2 1 1 A 2 2 SER C C 2 174.671 176.017 -1.346 1 1 5 . 2 1 1 A 2 2 SER CA C 2 58.438 58.277 0.161 1 1 6 . 2 1 1 A 2 2 SER CB C 2 63.558 63.747 -0.189 1 1 7 . 2 1 1 A 3 3 SER H H 3 8.324 8.736 -0.412 1 1 8 . 2 1 1 A 3 3 SER HA H 3 4.493 4.265 0.228 1 1 11 . 2 1 1 A 3 3 SER C C 3 173.918 174.075 -0.157 1 1 12 . 2 1 1 A 3 3 SER CA C 3 58.455 59.613 -1.158 1 1 13 . 2 1 1 A 3 3 SER CB C 3 63.929 64.104 -0.175 1 1 14 . 2 1 1 A 3 3 SER N N 3 117.862 121.790 -3.928 1 1 15 . 2 1 1 A 4 4 GLY H H 4 8.045 7.734 0.311 1 1 16 . 2 1 1 A 4 4 GLY C C 4 179.001 173.702 5.299 1 1 17 . 2 1 1 A 4 4 GLY CA C 4 46.201 43.883 2.318 1 1 18 . 2 1 1 A 4 4 GLY N N 4 116.862 109.289 7.573 1 1 19 . 2 1 1 A 6 6 SER HA H 6 4.461 4.804 -0.343 1 1 22 . 2 1 1 A 6 6 SER C C 6 175.170 174.363 0.807 1 1 23 . 2 1 1 A 6 6 SER CA C 6 58.755 57.578 1.177 1 1 24 . 2 1 1 A 6 6 SER CB C 6 63.862 63.230 0.632 1 1 25 . 2 1 1 A 7 7 GLY H H 7 8.432 7.771 0.661 1 1 26 . 2 1 1 A 7 7 GLY HA2 H 7 3.966 3.976 -0.010 1 1 27 . 2 1 1 A 7 7 GLY C C 7 174.309 172.118 2.191 1 1 28 . 2 1 1 A 7 7 GLY CA C 7 45.408 44.086 1.322 1 1 29 . 2 1 1 A 7 7 GLY N N 7 110.678 110.360 0.318 1 1 30 . 2 1 1 A 8 8 GLN H H 8 8.210 8.412 -0.202 1 1 31 . 2 1 1 A 8 8 GLN HA H 8 4.324 5.143 -0.819 1 1 38 . 2 1 1 A 8 8 GLN C C 8 176.037 173.904 2.133 1 1 39 . 2 1 1 A 8 8 GLN CA C 8 55.970 54.558 1.412 1 1 40 . 2 1 1 A 8 8 GLN CB C 8 29.562 32.627 -3.065 1 1 42 . 2 1 1 A 8 8 GLN N N 8 119.977 120.325 -0.348 1 1 44 . 2 1 1 A 9 9 ALA H H 9 8.394 8.518 -0.124 1 1 45 . 2 1 1 A 9 9 ALA HA H 9 4.319 4.591 -0.272 1 1 49 . 2 1 1 A 9 9 ALA C C 9 177.635 176.468 1.167 1 1 50 . 2 1 1 A 9 9 ALA CA C 9 52.531 51.515 1.016 1 1 51 . 2 1 1 A 9 9 ALA CB C 9 19.136 21.550 -2.414 1 1 52 . 2 1 1 A 9 9 ALA N N 9 125.301 126.353 -1.052 1 1 53 . 2 1 1 A 10 10 SER H H 10 8.259 8.657 -0.398 1 1 54 . 2 1 1 A 10 10 SER HA H 10 4.440 3.967 0.473 1 1 57 . 2 1 1 A 10 10 SER C C 10 175.138 173.589 1.549 1 1 58 . 2 1 1 A 10 10 SER CA C 10 58.649 59.467 -0.818 1 1 59 . 2 1 1 A 10 10 SER CB C 10 63.888 61.759 2.129 1 1 60 . 2 1 1 A 10 10 SER N N 10 114.874 117.160 -2.286 1 1 61 . 2 1 1 A 11 11 GLY H H 11 8.493 8.222 0.271 1 1 62 . 2 1 1 A 11 11 GLY HA2 H 11 4.039 3.874 0.165 1 1 63 . 2 1 1 A 11 11 GLY HA3 H 11 4.039 3.901 0.138 1 1 64 . 2 1 1 A 11 11 GLY C C 11 173.678 173.822 -0.144 1 1 65 . 2 1 1 A 11 11 GLY CA C 11 45.531 44.546 0.985 1 1 66 . 2 1 1 A 11 11 GLY N N 11 110.301 108.436 1.865 1 1 67 . 2 1 1 A 12 12 HIS H H 12 7.970 8.298 -0.328 1 1 68 . 2 1 1 A 12 12 HIS HA H 12 5.442 4.316 1.126 1 1 73 . 2 1 1 A 12 12 HIS C C 12 175.304 175.535 -0.231 1 1 74 . 2 1 1 A 12 12 HIS CA C 12 55.095 56.146 -1.051 1 1 75 . 2 1 1 A 12 12 HIS CB C 12 31.849 30.167 1.682 1 1 78 . 2 1 1 A 12 12 HIS N N 12 119.432 120.079 -0.647 1 1 79 . 2 1 1 A 13 13 PHE H H 13 8.940 8.557 0.383 1 1 80 . 2 1 1 A 13 13 PHE HA H 13 5.072 5.349 -0.277 1 1 88 . 2 1 1 A 13 13 PHE C C 13 172.688 173.656 -0.968 1 1 89 . 2 1 1 A 13 13 PHE CA C 13 56.269 54.887 1.382 1 1 90 . 2 1 1 A 13 13 PHE CB C 13 40.835 42.010 -1.175 1 1 96 . 2 1 1 A 13 13 PHE N N 13 118.413 118.018 0.395 1 1 97 . 2 1 1 A 14 14 SER H H 14 8.709 9.291 -0.582 1 1 98 . 2 1 1 A 14 14 SER HA H 14 5.580 5.521 0.059 1 1 101 . 2 1 1 A 14 14 SER C C 14 174.119 173.975 0.144 1 1 102 . 2 1 1 A 14 14 SER CA C 14 56.974 55.578 1.396 1 1 103 . 2 1 1 A 14 14 SER CB C 14 65.778 66.087 -0.309 1 1 104 . 2 1 1 A 14 14 SER N N 14 115.082 113.349 1.733 1 1 105 . 2 1 1 A 15 15 VAL H H 15 8.801 8.653 0.148 1 1 106 . 2 1 1 A 15 15 VAL HA H 15 4.373 4.690 -0.317 1 1 114 . 2 1 1 A 15 15 VAL C C 15 173.002 173.913 -0.911 1 1 115 . 2 1 1 A 15 15 VAL CA C 15 61.312 61.264 0.048 1 1 116 . 2 1 1 A 15 15 VAL CB C 15 36.461 34.480 1.981 1 1 119 . 2 1 1 A 15 15 VAL N N 15 121.148 120.717 0.431 1 1 120 . 2 1 1 A 16 16 GLU H H 16 8.383 9.039 -0.656 1 1 121 . 2 1 1 A 16 16 GLU HA H 16 5.299 5.502 -0.203 1 1 126 . 2 1 1 A 16 16 GLU C C 16 175.408 175.226 0.182 1 1 127 . 2 1 1 A 16 16 GLU CA C 16 54.594 54.850 -0.256 1 1 128 . 2 1 1 A 16 16 GLU CB C 16 31.993 32.931 -0.938 1 1 130 . 2 1 1 A 16 16 GLU N N 16 125.925 129.226 -3.301 1 1 131 . 2 1 1 A 17 17 LEU H H 17 9.172 8.515 0.657 1 1 132 . 2 1 1 A 17 17 LEU HA H 17 5.000 5.121 -0.121 1 1 142 . 2 1 1 A 17 17 LEU C C 17 175.596 176.273 -0.677 1 1 143 . 2 1 1 A 17 17 LEU CA C 17 52.919 53.551 -0.632 1 1 144 . 2 1 1 A 17 17 LEU CB C 17 47.317 46.807 0.510 1 1 148 . 2 1 1 A 17 17 LEU N N 17 122.761 126.950 -4.189 1 1 149 . 2 1 1 A 18 18 VAL H H 18 8.546 8.654 -0.108 1 1 150 . 2 1 1 A 18 18 VAL HA H 18 4.831 4.845 -0.014 1 1 158 . 2 1 1 A 18 18 VAL C C 18 175.783 175.790 -0.007 1 1 159 . 2 1 1 A 18 18 VAL CA C 18 61.277 60.895 0.382 1 1 160 . 2 1 1 A 18 18 VAL CB C 18 33.600 35.143 -1.543 1 1 163 . 2 1 1 A 18 18 VAL N N 18 122.523 121.246 1.277 1 1 164 . 2 1 1 A 19 19 ARG H H 19 8.495 8.169 0.326 1 1 165 . 2 1 1 A 19 19 ARG HA H 19 2.868 2.857 0.011 1 1 172 . 2 1 1 A 19 19 ARG C C 19 176.248 175.737 0.511 1 1 173 . 2 1 1 A 19 19 ARG CA C 19 58.138 57.077 1.061 1 1 174 . 2 1 1 A 19 19 ARG CB C 19 30.839 30.597 0.242 1 1 177 . 2 1 1 A 19 19 ARG N N 19 127.015 128.208 -1.193 1 1 178 . 2 1 1 A 20 20 GLY H H 20 7.244 8.231 -0.987 1 1 179 . 2 1 1 A 20 20 GLY HA2 H 20 4.504 4.024 0.480 1 1 180 . 2 1 1 A 20 20 GLY HA3 H 20 3.750 4.036 -0.286 1 1 181 . 2 1 1 A 20 20 GLY C C 20 175.286 174.952 0.334 1 1 182 . 2 1 1 A 20 20 GLY CA C 20 44.131 44.446 -0.315 1 1 183 . 2 1 1 A 20 20 GLY N N 20 112.266 113.303 -1.037 1 1 184 . 2 1 1 A 21 21 TYR HA H 21 4.219 4.280 -0.061 1 1 191 . 2 1 1 A 21 21 TYR C C 21 176.309 175.971 0.338 1 1 192 . 2 1 1 A 21 21 TYR CA C 21 60.518 60.573 -0.055 1 1 193 . 2 1 1 A 21 21 TYR CB C 21 37.826 37.531 0.295 1 1 198 . 2 1 1 A 22 22 ALA H H 22 8.272 6.373 1.899 1 1 199 . 2 1 1 A 22 22 ALA HA H 22 4.404 4.295 0.109 1 1 203 . 2 1 1 A 22 22 ALA C C 22 177.312 176.959 0.353 1 1 204 . 2 1 1 A 22 22 ALA CA C 22 50.816 50.175 0.641 1 1 205 . 2 1 1 A 22 22 ALA CB C 22 18.455 19.532 -1.077 1 1 206 . 2 1 1 A 22 22 ALA N N 22 121.539 119.730 1.809 1 1 207 . 2 1 1 A 23 23 GLY H H 23 7.495 8.714 -1.219 1 1 208 . 2 1 1 A 23 23 GLY HA2 H 23 4.541 3.779 0.762 1 1 209 . 2 1 1 A 23 23 GLY HA3 H 23 3.238 3.855 -0.617 1 1 210 . 2 1 1 A 23 23 GLY C C 23 175.043 175.458 -0.415 1 1 211 . 2 1 1 A 23 23 GLY CA C 23 44.897 44.915 -0.018 1 1 212 . 2 1 1 A 23 23 GLY N N 23 106.744 114.228 -7.484 1 1 213 . 2 1 1 A 24 24 PHE H H 24 7.242 8.856 -1.614 1 1 214 . 2 1 1 A 24 24 PHE HA H 24 4.369 4.300 0.069 1 1 222 . 2 1 1 A 24 24 PHE C C 24 175.902 176.086 -0.184 1 1 223 . 2 1 1 A 24 24 PHE CA C 24 60.347 58.693 1.654 1 1 224 . 2 1 1 A 24 24 PHE CB C 24 39.575 39.467 0.108 1 1 230 . 2 1 1 A 25 25 GLY H H 25 8.820 8.422 0.398 1 1 231 . 2 1 1 A 25 25 GLY HA2 H 25 4.134 3.999 0.135 1 1 232 . 2 1 1 A 25 25 GLY HA3 H 25 3.913 4.015 -0.102 1 1 233 . 2 1 1 A 25 25 GLY C C 25 174.585 174.478 0.107 1 1 234 . 2 1 1 A 25 25 GLY CA C 25 47.030 46.580 0.450 1 1 235 . 2 1 1 A 25 25 GLY N N 25 107.899 109.142 -1.243 1 1 236 . 2 1 1 A 26 26 LEU H H 26 7.991 7.809 0.182 1 1 237 . 2 1 1 A 26 26 LEU HA H 26 4.990 4.843 0.147 1 1 247 . 2 1 1 A 26 26 LEU C C 26 174.135 175.321 -1.186 1 1 248 . 2 1 1 A 26 26 LEU CA C 26 53.906 53.690 0.216 1 1 249 . 2 1 1 A 26 26 LEU CB C 26 45.939 43.969 1.970 1 1 253 . 2 1 1 A 26 26 LEU N N 26 122.133 122.699 -0.566 1 1 254 . 2 1 1 A 27 27 THR H H 27 8.657 8.698 -0.041 1 1 255 . 2 1 1 A 27 27 THR HA H 27 4.662 5.264 -0.602 1 1 260 . 2 1 1 A 27 27 THR C C 27 174.074 173.645 0.429 1 1 261 . 2 1 1 A 27 27 THR CA C 27 61.382 61.134 0.248 1 1 262 . 2 1 1 A 27 27 THR CB C 27 70.010 72.452 -2.442 1 1 264 . 2 1 1 A 27 27 THR N N 27 121.262 122.823 -1.561 1 1 265 . 2 1 1 A 28 28 LEU H H 28 9.692 9.024 0.668 1 1 266 . 2 1 1 A 28 28 LEU HA H 28 5.297 5.286 0.011 1 1 276 . 2 1 1 A 28 28 LEU C C 28 175.414 176.179 -0.765 1 1 277 . 2 1 1 A 28 28 LEU CA C 28 53.219 53.142 0.077 1 1 278 . 2 1 1 A 28 28 LEU CB C 28 45.049 45.344 -0.295 1 1 282 . 2 1 1 A 28 28 LEU N N 28 128.374 124.890 3.484 1 1 283 . 2 1 1 A 29 29 GLY H H 29 8.818 8.569 0.249 1 1 284 . 2 1 1 A 29 29 GLY HA2 H 29 4.089 4.189 -0.100 1 1 285 . 2 1 1 A 29 29 GLY HA3 H 29 3.664 4.192 -0.528 1 1 286 . 2 1 1 A 29 29 GLY C C 29 171.700 174.478 -2.778 1 1 287 . 2 1 1 A 29 29 GLY CA C 29 44.086 44.754 -0.668 1 1 288 . 2 1 1 A 29 29 GLY N N 29 106.574 111.981 -5.407 1 1 289 . 2 1 1 A 30 30 GLY H H 30 8.339 8.199 0.140 1 1 290 . 2 1 1 A 30 30 GLY HA2 H 30 4.434 4.117 0.317 1 1 291 . 2 1 1 A 30 30 GLY HA3 H 30 3.554 4.141 -0.587 1 1 292 . 2 1 1 A 30 30 GLY C C 30 174.290 174.025 0.265 1 1 293 . 2 1 1 A 30 30 GLY CA C 30 44.879 44.800 0.079 1 1 294 . 2 1 1 A 30 30 GLY N N 30 107.245 112.911 -5.666 1 1 295 . 2 1 1 A 31 31 GLY H H 31 7.292 8.579 -1.287 1 1 296 . 2 1 1 A 31 31 GLY HA2 H 31 4.439 4.066 0.373 1 1 297 . 2 1 1 A 31 31 GLY HA3 H 31 4.000 4.137 -0.137 1 1 298 . 2 1 1 A 31 31 GLY C C 31 174.513 173.531 0.982 1 1 299 . 2 1 1 A 31 31 GLY CA C 31 43.589 44.960 -1.371 1 1 300 . 2 1 1 A 31 31 GLY N N 31 107.984 108.727 -0.743 1 1 301 . 2 1 1 A 32 32 ARG H H 32 8.065 8.303 -0.238 1 1 302 . 2 1 1 A 32 32 ARG HA H 32 4.380 4.349 0.031 1 1 309 . 2 1 1 A 32 32 ARG C C 32 176.139 175.081 1.058 1 1 310 . 2 1 1 A 32 32 ARG CA C 32 57.354 56.401 0.953 1 1 311 . 2 1 1 A 32 32 ARG CB C 32 30.080 31.025 -0.945 1 1 314 . 2 1 1 A 32 32 ARG N N 32 121.733 121.240 0.493 1 1 315 . 2 1 1 A 33 33 ASP H H 33 8.916 8.765 0.151 1 1 316 . 2 1 1 A 33 33 ASP HA H 33 4.799 4.980 -0.181 1 1 319 . 2 1 1 A 33 33 ASP C C 33 176.381 176.448 -0.067 1 1 320 . 2 1 1 A 33 33 ASP CA C 33 53.783 52.915 0.868 1 1 321 . 2 1 1 A 33 33 ASP CB C 33 43.712 44.003 -0.291 1 1 322 . 2 1 1 A 33 33 ASP N N 33 126.313 127.036 -0.723 1 1 323 . 2 1 1 A 34 34 VAL H H 34 8.372 8.721 -0.349 1 1 324 . 2 1 1 A 34 34 VAL HA H 34 3.943 3.937 0.006 1 1 329 . 2 1 1 A 34 34 VAL C C 34 176.591 177.188 -0.597 1 1 330 . 2 1 1 A 34 34 VAL CA C 34 64.644 64.924 -0.280 1 1 331 . 2 1 1 A 34 34 VAL CB C 34 31.796 31.907 -0.111 1 1 333 . 2 1 1 A 34 34 VAL N N 34 121.465 124.248 -2.783 1 1 334 . 2 1 1 A 35 35 ALA H H 35 8.577 7.669 0.908 1 1 335 . 2 1 1 A 35 35 ALA HA H 35 4.386 4.354 0.032 1 1 339 . 2 1 1 A 35 35 ALA C C 35 177.532 176.429 1.103 1 1 340 . 2 1 1 A 35 35 ALA CA C 35 52.589 51.696 0.893 1 1 341 . 2 1 1 A 35 35 ALA CB C 35 19.095 19.012 0.083 1 1 342 . 2 1 1 A 35 35 ALA N N 35 123.222 121.644 1.578 1 1 343 . 2 1 1 A 36 36 GLY H H 36 7.816 7.053 0.763 1 1 344 . 2 1 1 A 36 36 GLY HA2 H 36 4.274 4.023 0.251 1 1 345 . 2 1 1 A 36 36 GLY HA3 H 36 3.723 4.025 -0.302 1 1 346 . 2 1 1 A 36 36 GLY C C 36 172.610 171.920 0.690 1 1 347 . 2 1 1 A 36 36 GLY CA C 36 45.161 45.352 -0.191 1 1 348 . 2 1 1 A 36 36 GLY N N 36 107.925 106.827 1.098 1 1 349 . 2 1 1 A 37 37 ASP H H 37 8.604 8.386 0.218 1 1 350 . 2 1 1 A 37 37 ASP HA H 37 4.810 5.441 -0.631 1 1 353 . 2 1 1 A 37 37 ASP C C 37 176.081 175.224 0.857 1 1 354 . 2 1 1 A 37 37 ASP CA C 37 54.700 53.489 1.211 1 1 355 . 2 1 1 A 37 37 ASP CB C 37 41.076 42.513 -1.437 1 1 356 . 2 1 1 A 37 37 ASP N N 37 124.969 121.611 3.358 1 1 357 . 2 1 1 A 38 38 THR H H 38 7.679 8.445 -0.766 1 1 358 . 2 1 1 A 38 38 THR HA H 38 4.704 5.119 -0.415 1 1 363 . 2 1 1 A 38 38 THR C C 38 172.712 171.684 1.028 1 1 364 . 2 1 1 A 38 38 THR CA C 38 59.810 58.264 1.546 1 1 365 . 2 1 1 A 38 38 THR CB C 38 70.420 70.430 -0.010 1 1 367 . 2 1 1 A 38 38 THR N N 38 116.498 113.484 3.014 1 1 368 . 2 1 1 A 39 39 PRO HA H 39 4.305 4.699 -0.394 1 1 375 . 2 1 1 A 39 39 PRO C C 39 176.355 176.853 -0.498 1 1 376 . 2 1 1 A 39 39 PRO CA C 39 63.304 62.737 0.567 1 1 377 . 2 1 1 A 39 39 PRO CB C 39 32.703 31.652 1.051 1 1 380 . 2 1 1 A 40 40 LEU H H 40 8.247 8.157 0.090 1 1 381 . 2 1 1 A 40 40 LEU HA H 40 4.704 4.224 0.480 1 1 391 . 2 1 1 A 40 40 LEU C C 40 176.631 177.320 -0.689 1 1 392 . 2 1 1 A 40 40 LEU CA C 40 55.352 55.392 -0.040 1 1 393 . 2 1 1 A 40 40 LEU CB C 40 42.524 41.764 0.760 1 1 397 . 2 1 1 A 40 40 LEU N N 40 125.558 124.053 1.505 1 1 398 . 2 1 1 A 41 41 ALA H H 41 8.856 8.712 0.144 1 1 399 . 2 1 1 A 41 41 ALA HA H 41 5.465 4.849 0.616 1 1 403 . 2 1 1 A 41 41 ALA C C 41 176.658 176.328 0.330 1 1 404 . 2 1 1 A 41 41 ALA CA C 41 50.503 51.218 -0.715 1 1 405 . 2 1 1 A 41 41 ALA CB C 41 24.074 22.812 1.262 1 1 406 . 2 1 1 A 41 41 ALA N N 41 128.426 125.926 2.500 1 1 407 . 2 1 1 A 42 42 VAL H H 42 9.160 8.783 0.377 1 1 408 . 2 1 1 A 42 42 VAL HA H 42 3.803 4.111 -0.308 1 1 416 . 2 1 1 A 42 42 VAL C C 42 176.499 175.743 0.756 1 1 417 . 2 1 1 A 42 42 VAL CA C 42 64.196 63.818 0.378 1 1 418 . 2 1 1 A 42 42 VAL CB C 42 31.773 32.101 -0.328 1 1 421 . 2 1 1 A 42 42 VAL N N 42 119.342 122.961 -3.619 1 1 422 . 2 1 1 A 43 43 ARG H H 43 9.385 9.236 0.149 1 1 423 . 2 1 1 A 43 43 ARG HA H 43 4.527 4.475 0.052 1 1 430 . 2 1 1 A 43 43 ARG C C 43 175.332 175.839 -0.507 1 1 431 . 2 1 1 A 43 43 ARG CA C 43 55.340 57.086 -1.746 1 1 432 . 2 1 1 A 43 43 ARG CB C 43 32.242 32.153 0.089 1 1 435 . 2 1 1 A 43 43 ARG N N 43 131.043 128.097 2.946 1 1 436 . 2 1 1 A 44 44 GLY H H 44 7.872 7.836 0.036 1 1 437 . 2 1 1 A 44 44 GLY HA2 H 44 4.155 4.190 -0.035 1 1 438 . 2 1 1 A 44 44 GLY HA3 H 44 3.765 4.192 -0.427 1 1 439 . 2 1 1 A 44 44 GLY C C 44 170.284 171.857 -1.573 1 1 440 . 2 1 1 A 44 44 GLY CA C 44 45.602 44.012 1.590 1 1 441 . 2 1 1 A 44 44 GLY N N 44 107.517 107.524 -0.007 1 1 442 . 2 1 1 A 45 45 LEU H H 45 8.455 9.516 -1.061 1 1 443 . 2 1 1 A 45 45 LEU HA H 45 4.915 4.891 0.024 1 1 453 . 2 1 1 A 45 45 LEU C C 45 175.215 176.919 -1.704 1 1 454 . 2 1 1 A 45 45 LEU CA C 45 52.795 54.075 -1.280 1 1 455 . 2 1 1 A 45 45 LEU CB C 45 44.824 43.339 1.485 1 1 459 . 2 1 1 A 45 45 LEU N N 45 121.812 122.973 -1.161 1 1 460 . 2 1 1 A 46 46 LEU H H 46 7.582 8.691 -1.109 1 1 461 . 2 1 1 A 46 46 LEU HA H 46 4.208 4.359 -0.151 1 1 471 . 2 1 1 A 46 46 LEU C C 46 177.935 176.744 1.191 1 1 472 . 2 1 1 A 46 46 LEU CA C 46 54.984 56.192 -1.208 1 1 473 . 2 1 1 A 46 46 LEU CB C 46 42.815 42.588 0.227 1 1 477 . 2 1 1 A 46 46 LEU N N 46 124.670 128.674 -4.004 1 1 478 . 2 1 1 A 47 47 LYS H H 47 8.959 8.696 0.263 1 1 479 . 2 1 1 A 47 47 LYS HA H 47 3.875 3.917 -0.042 1 1 488 . 2 1 1 A 47 47 LYS C C 47 176.699 177.053 -0.354 1 1 489 . 2 1 1 A 47 47 LYS CA C 47 58.861 57.631 1.230 1 1 490 . 2 1 1 A 47 47 LYS CB C 47 32.076 32.304 -0.228 1 1 494 . 2 1 1 A 47 47 LYS N N 47 129.726 126.781 2.945 1 1 495 . 2 1 1 A 48 48 ASP H H 48 8.845 8.897 -0.052 1 1 496 . 2 1 1 A 48 48 ASP HA H 48 4.395 4.400 -0.005 1 1 499 . 2 1 1 A 48 48 ASP C C 48 175.442 175.669 -0.227 1 1 500 . 2 1 1 A 48 48 ASP CA C 48 56.632 55.007 1.625 1 1 501 . 2 1 1 A 48 48 ASP CB C 48 39.740 38.632 1.108 1 1 502 . 2 1 1 A 48 48 ASP N N 48 119.883 125.566 -5.683 1 1 503 . 2 1 1 A 49 49 GLY H H 49 7.947 7.665 0.282 1 1 504 . 2 1 1 A 49 49 GLY HA2 H 49 4.578 4.154 0.424 1 1 505 . 2 1 1 A 49 49 GLY HA3 H 49 3.748 4.192 -0.444 1 1 506 . 2 1 1 A 49 49 GLY C C 49 172.008 174.755 -2.747 1 1 507 . 2 1 1 A 49 49 GLY CA C 49 45.000 43.996 1.004 1 1 508 . 2 1 1 A 49 49 GLY N N 49 106.565 109.067 -2.502 1 1 509 . 2 1 1 A 50 50 PRO HA H 50 4.268 4.392 -0.124 1 1 516 . 2 1 1 A 50 50 PRO C C 50 179.273 178.947 0.326 1 1 517 . 2 1 1 A 50 50 PRO CA C 50 65.791 65.282 0.509 1 1 518 . 2 1 1 A 50 50 PRO CB C 50 32.532 31.986 0.546 1 1 521 . 2 1 1 A 51 51 ALA H H 51 7.805 8.269 -0.464 1 1 522 . 2 1 1 A 51 51 ALA HA H 51 4.167 4.128 0.039 1 1 526 . 2 1 1 A 51 51 ALA C C 51 178.947 179.530 -0.583 1 1 527 . 2 1 1 A 51 51 ALA CA C 51 55.079 55.447 -0.368 1 1 528 . 2 1 1 A 51 51 ALA CB C 51 18.988 18.220 0.768 1 1 529 . 2 1 1 A 51 51 ALA N N 51 119.037 119.040 -0.003 1 1 530 . 2 1 1 A 52 52 GLN H H 52 9.614 8.217 1.397 1 1 531 . 2 1 1 A 52 52 GLN HA H 52 3.969 3.985 -0.016 1 1 538 . 2 1 1 A 52 52 GLN C C 52 178.509 178.446 0.063 1 1 539 . 2 1 1 A 52 52 GLN CA C 52 59.529 59.203 0.326 1 1 540 . 2 1 1 A 52 52 GLN CB C 52 29.107 28.385 0.722 1 1 542 . 2 1 1 A 52 52 GLN N N 52 122.017 118.219 3.798 1 1 544 . 2 1 1 A 53 53 ARG H H 53 8.524 7.968 0.556 1 1 545 . 2 1 1 A 53 53 ARG HA H 53 3.996 4.013 -0.017 1 1 552 . 2 1 1 A 53 53 ARG C C 53 178.479 179.324 -0.845 1 1 553 . 2 1 1 A 53 53 ARG CA C 53 58.825 59.559 -0.734 1 1 554 . 2 1 1 A 53 53 ARG CB C 53 30.546 30.013 0.533 1 1 557 . 2 1 1 A 53 53 ARG N N 53 116.703 118.166 -1.463 1 1 558 . 2 1 1 A 54 54 CYS H H 54 7.589 7.620 -0.031 1 1 559 . 2 1 1 A 54 54 CYS HA H 54 4.641 4.336 0.305 1 1 562 . 2 1 1 A 54 54 CYS C C 54 175.840 175.152 0.688 1 1 563 . 2 1 1 A 54 54 CYS CA C 54 59.724 59.995 -0.271 1 1 564 . 2 1 1 A 54 54 CYS CB C 54 27.419 28.175 -0.756 1 1 565 . 2 1 1 A 54 54 CYS N N 54 113.424 117.586 -4.162 1 1 566 . 2 1 1 A 55 55 GLY H H 55 7.436 7.719 -0.283 1 1 567 . 2 1 1 A 55 55 GLY HA2 H 55 4.082 3.957 0.125 1 1 568 . 2 1 1 A 55 55 GLY HA3 H 55 4.082 3.965 0.117 1 1 569 . 2 1 1 A 55 55 GLY C C 55 174.435 175.797 -1.362 1 1 570 . 2 1 1 A 55 55 GLY CA C 55 46.977 45.443 1.534 1 1 571 . 2 1 1 A 55 55 GLY N N 55 109.572 108.513 1.059 1 1 572 . 2 1 1 A 56 56 ARG H H 56 7.860 8.190 -0.330 1 1 573 . 2 1 1 A 56 56 ARG HA H 56 4.472 3.976 0.496 1 1 580 . 2 1 1 A 56 56 ARG C C 56 174.959 176.791 -1.832 1 1 581 . 2 1 1 A 56 56 ARG CA C 56 55.687 58.768 -3.081 1 1 582 . 2 1 1 A 56 56 ARG CB C 56 32.785 30.223 2.562 1 1 585 . 2 1 1 A 56 56 ARG N N 56 118.137 119.951 -1.814 1 1 586 . 2 1 1 A 57 57 LEU H H 57 8.219 8.033 0.186 1 1 587 . 2 1 1 A 57 57 LEU HA H 57 4.926 4.698 0.228 1 1 597 . 2 1 1 A 57 57 LEU C C 57 175.333 175.991 -0.658 1 1 598 . 2 1 1 A 57 57 LEU CA C 57 53.043 53.579 -0.536 1 1 599 . 2 1 1 A 57 57 LEU CB C 57 46.459 43.662 2.797 1 1 603 . 2 1 1 A 57 57 LEU N N 57 117.496 119.423 -1.927 1 1 604 . 2 1 1 A 58 58 GLU H H 58 9.053 8.973 0.080 1 1 605 . 2 1 1 A 58 58 GLU HA H 58 4.460 4.932 -0.472 1 1 610 . 2 1 1 A 58 58 GLU C C 58 175.683 176.176 -0.493 1 1 611 . 2 1 1 A 58 58 GLU CA C 58 54.144 54.388 -0.244 1 1 612 . 2 1 1 A 58 58 GLU CB C 58 33.286 33.664 -0.378 1 1 614 . 2 1 1 A 58 58 GLU N N 58 121.883 123.126 -1.243 1 1 615 . 2 1 1 A 59 59 VAL H H 59 8.727 8.572 0.155 1 1 616 . 2 1 1 A 59 59 VAL HA H 59 3.213 3.641 -0.428 1 1 624 . 2 1 1 A 59 59 VAL C C 59 177.728 177.048 0.680 1 1 625 . 2 1 1 A 59 59 VAL CA C 59 65.823 65.398 0.425 1 1 626 . 2 1 1 A 59 59 VAL CB C 59 31.151 31.343 -0.192 1 1 629 . 2 1 1 A 59 59 VAL N N 59 121.698 122.430 -0.732 1 1 630 . 2 1 1 A 60 60 GLY H H 60 9.172 8.441 0.731 1 1 631 . 2 1 1 A 60 60 GLY HA2 H 60 4.500 3.992 0.508 1 1 632 . 2 1 1 A 60 60 GLY HA3 H 60 3.469 3.995 -0.526 1 1 633 . 2 1 1 A 60 60 GLY C C 60 173.646 174.518 -0.872 1 1 634 . 2 1 1 A 60 60 GLY CA C 60 44.148 44.967 -0.819 1 1 635 . 2 1 1 A 60 60 GLY N N 60 117.734 115.573 2.161 1 1 636 . 2 1 1 A 61 61 ASP H H 61 7.877 7.609 0.268 1 1 637 . 2 1 1 A 61 61 ASP HA H 61 4.551 4.708 -0.157 1 1 640 . 2 1 1 A 61 61 ASP C C 61 175.437 174.826 0.611 1 1 641 . 2 1 1 A 61 61 ASP CA C 61 56.057 54.531 1.526 1 1 642 . 2 1 1 A 61 61 ASP CB C 61 40.660 41.909 -1.249 1 1 643 . 2 1 1 A 61 61 ASP N N 61 121.399 121.036 0.363 1 1 644 . 2 1 1 A 62 62 LEU H H 62 8.773 8.736 0.037 1 1 645 . 2 1 1 A 62 62 LEU HA H 62 4.713 4.853 -0.140 1 1 655 . 2 1 1 A 62 62 LEU C C 62 176.560 175.437 1.123 1 1 656 . 2 1 1 A 62 62 LEU CA C 62 54.259 53.389 0.870 1 1 657 . 2 1 1 A 62 62 LEU CB C 62 42.022 43.060 -1.038 1 1 661 . 2 1 1 A 62 62 LEU N N 62 120.566 122.343 -1.777 1 1 662 . 2 1 1 A 63 63 VAL H H 63 8.121 8.920 -0.799 1 1 663 . 2 1 1 A 63 63 VAL HA H 63 4.113 4.000 0.113 1 1 671 . 2 1 1 A 63 63 VAL C C 63 175.468 175.384 0.084 1 1 672 . 2 1 1 A 63 63 VAL CA C 63 61.763 62.643 -0.880 1 1 673 . 2 1 1 A 63 63 VAL CB C 63 31.413 31.712 -0.299 1 1 676 . 2 1 1 A 63 63 VAL N N 63 121.172 124.822 -3.650 1 1 677 . 2 1 1 A 64 64 LEU H H 64 9.077 8.810 0.267 1 1 678 . 2 1 1 A 64 64 LEU HA H 64 4.113 4.120 -0.007 1 1 688 . 2 1 1 A 64 64 LEU C C 64 177.611 176.040 1.571 1 1 689 . 2 1 1 A 64 64 LEU CA C 64 56.614 55.172 1.442 1 1 690 . 2 1 1 A 64 64 LEU CB C 64 42.994 42.215 0.779 1 1 694 . 2 1 1 A 64 64 LEU N N 64 130.175 127.817 2.358 1 1 695 . 2 1 1 A 65 65 HIS H H 65 7.510 7.091 0.419 1 1 696 . 2 1 1 A 65 65 HIS HA H 65 5.297 5.118 0.179 1 1 701 . 2 1 1 A 65 65 HIS C C 65 174.833 173.559 1.274 1 1 702 . 2 1 1 A 65 65 HIS CA C 65 55.715 54.522 1.193 1 1 703 . 2 1 1 A 65 65 HIS CB C 65 35.813 34.885 0.928 1 1 706 . 2 1 1 A 65 65 HIS N N 65 115.096 114.460 0.636 1 1 707 . 2 1 1 A 66 66 ILE H H 66 8.675 8.626 0.049 1 1 708 . 2 1 1 A 66 66 ILE HA H 66 4.320 4.321 -0.001 1 1 718 . 2 1 1 A 66 66 ILE C C 66 175.571 175.786 -0.215 1 1 719 . 2 1 1 A 66 66 ILE CA C 66 60.510 60.344 0.166 1 1 720 . 2 1 1 A 66 66 ILE CB C 66 41.360 40.672 0.688 1 1 724 . 2 1 1 A 66 66 ILE N N 66 119.474 119.200 0.274 1 1 725 . 2 1 1 A 67 67 ASN H H 67 10.170 9.653 0.517 1 1 726 . 2 1 1 A 67 67 ASN HA H 67 4.595 4.607 -0.012 1 1 731 . 2 1 1 A 67 67 ASN C C 67 175.349 175.487 -0.138 1 1 732 . 2 1 1 A 67 67 ASN CA C 67 54.589 54.705 -0.116 1 1 733 . 2 1 1 A 67 67 ASN CB C 67 37.267 37.470 -0.203 1 1 734 . 2 1 1 A 67 67 ASN N N 67 129.216 127.374 1.842 1 1 736 . 2 1 1 A 68 68 GLY H H 68 9.396 8.774 0.622 1 1 737 . 2 1 1 A 68 68 GLY HA2 H 68 4.155 3.868 0.287 1 1 738 . 2 1 1 A 68 68 GLY HA3 H 68 3.585 3.871 -0.286 1 1 739 . 2 1 1 A 68 68 GLY C C 68 173.920 173.673 0.247 1 1 740 . 2 1 1 A 68 68 GLY CA C 68 45.267 45.911 -0.644 1 1 741 . 2 1 1 A 68 68 GLY N N 68 104.067 103.559 0.508 1 1 742 . 2 1 1 A 69 69 GLU H H 69 7.815 8.214 -0.399 1 1 743 . 2 1 1 A 69 69 GLU HA H 69 4.619 4.613 0.006 1 1 748 . 2 1 1 A 69 69 GLU C C 69 175.696 175.653 0.043 1 1 749 . 2 1 1 A 69 69 GLU CA C 69 54.803 54.781 0.022 1 1 750 . 2 1 1 A 69 69 GLU CB C 69 32.281 31.817 0.464 1 1 752 . 2 1 1 A 69 69 GLU N N 69 121.337 121.322 0.015 1 1 753 . 2 1 1 A 70 70 SER H H 70 8.867 8.970 -0.103 1 1 754 . 2 1 1 A 70 70 SER HA H 70 4.411 4.962 -0.551 1 1 757 . 2 1 1 A 70 70 SER C C 70 176.409 174.596 1.813 1 1 758 . 2 1 1 A 70 70 SER CA C 70 58.034 57.472 0.562 1 1 759 . 2 1 1 A 70 70 SER CB C 70 63.432 63.748 -0.316 1 1 760 . 2 1 1 A 70 70 SER N N 70 119.566 119.281 0.285 1 1 761 . 2 1 1 A 71 71 THR H H 71 7.914 9.094 -1.180 1 1 762 . 2 1 1 A 71 71 THR HA H 71 4.162 4.408 -0.246 1 1 767 . 2 1 1 A 71 71 THR C C 71 175.433 174.892 0.541 1 1 768 . 2 1 1 A 71 71 THR CA C 71 60.921 62.981 -2.060 1 1 769 . 2 1 1 A 71 71 THR CB C 71 68.671 68.952 -0.281 1 1 771 . 2 1 1 A 71 71 THR N N 71 114.514 120.025 -5.511 1 1 772 . 2 1 1 A 72 72 GLN H H 72 8.131 8.020 0.111 1 1 773 . 2 1 1 A 72 72 GLN HA H 72 4.020 4.047 -0.027 1 1 780 . 2 1 1 A 72 72 GLN C C 72 176.950 177.183 -0.233 1 1 781 . 2 1 1 A 72 72 GLN CA C 72 58.361 59.477 -1.116 1 1 782 . 2 1 1 A 72 72 GLN CB C 72 28.079 28.590 -0.511 1 1 784 . 2 1 1 A 72 72 GLN N N 72 124.809 121.325 3.484 1 1 786 . 2 1 1 A 73 73 GLY H H 73 9.025 7.942 1.083 1 1 787 . 2 1 1 A 73 73 GLY HA2 H 73 4.092 4.065 0.027 1 1 788 . 2 1 1 A 73 73 GLY HA3 H 73 3.754 4.066 -0.312 1 1 789 . 2 1 1 A 73 73 GLY C C 73 173.971 173.336 0.635 1 1 790 . 2 1 1 A 73 73 GLY CA C 73 45.373 45.490 -0.117 1 1 791 . 2 1 1 A 73 73 GLY N N 73 114.015 106.223 7.792 1 1 792 . 2 1 1 A 74 74 LEU H H 74 7.672 7.278 0.394 1 1 793 . 2 1 1 A 74 74 LEU HA H 74 4.768 4.455 0.313 1 1 803 . 2 1 1 A 74 74 LEU C C 74 179.964 176.744 3.220 1 1 804 . 2 1 1 A 74 74 LEU CA C 74 54.682 54.130 0.552 1 1 805 . 2 1 1 A 74 74 LEU CB C 74 42.355 42.421 -0.066 1 1 809 . 2 1 1 A 74 74 LEU N N 74 118.933 121.138 -2.205 1 1 810 . 2 1 1 A 75 75 THR H H 75 8.911 8.936 -0.025 1 1 811 . 2 1 1 A 75 75 THR HA H 75 4.799 4.638 0.161 1 1 816 . 2 1 1 A 75 75 THR C C 75 174.971 175.316 -0.345 1 1 817 . 2 1 1 A 75 75 THR CA C 75 60.571 60.926 -0.355 1 1 818 . 2 1 1 A 75 75 THR CB C 75 71.058 71.223 -0.165 1 1 820 . 2 1 1 A 75 75 THR N N 75 113.687 117.343 -3.656 1 1 821 . 2 1 1 A 76 76 HIS H H 76 9.474 8.646 0.828 1 1 822 . 2 1 1 A 76 76 HIS HA H 76 3.997 4.121 -0.124 1 1 826 . 2 1 1 A 76 76 HIS C C 76 176.917 176.935 -0.018 1 1 827 . 2 1 1 A 76 76 HIS CA C 76 61.208 60.471 0.737 1 1 828 . 2 1 1 A 76 76 HIS CB C 76 29.729 29.908 -0.179 1 1 830 . 2 1 1 A 76 76 HIS N N 76 122.022 121.628 0.394 1 1 831 . 2 1 1 A 77 77 ALA H H 77 8.457 8.332 0.125 1 1 832 . 2 1 1 A 77 77 ALA HA H 77 3.946 3.969 -0.023 1 1 836 . 2 1 1 A 77 77 ALA C C 77 181.502 179.654 1.848 1 1 837 . 2 1 1 A 77 77 ALA CA C 77 55.282 55.259 0.023 1 1 838 . 2 1 1 A 77 77 ALA CB C 77 18.162 18.140 0.022 1 1 839 . 2 1 1 A 77 77 ALA N N 77 119.389 121.144 -1.755 1 1 840 . 2 1 1 A 78 78 GLN H H 78 7.991 7.477 0.514 1 1 841 . 2 1 1 A 78 78 GLN HA H 78 4.029 4.058 -0.029 1 1 848 . 2 1 1 A 78 78 GLN C C 78 179.215 178.705 0.510 1 1 849 . 2 1 1 A 78 78 GLN CA C 78 58.562 58.744 -0.182 1 1 850 . 2 1 1 A 78 78 GLN CB C 78 29.592 28.448 1.144 1 1 852 . 2 1 1 A 78 78 GLN N N 78 117.510 118.251 -0.741 1 1 854 . 2 1 1 A 79 79 ALA H H 79 8.367 8.265 0.102 1 1 855 . 2 1 1 A 79 79 ALA HA H 79 3.775 4.049 -0.274 1 1 859 . 2 1 1 A 79 79 ALA C C 79 178.754 180.471 -1.717 1 1 860 . 2 1 1 A 79 79 ALA CA C 79 55.828 54.901 0.927 1 1 861 . 2 1 1 A 79 79 ALA CB C 79 18.733 18.433 0.300 1 1 862 . 2 1 1 A 79 79 ALA N N 79 123.463 122.243 1.220 1 1 863 . 2 1 1 A 80 80 VAL H H 80 8.228 7.323 0.905 1 1 864 . 2 1 1 A 80 80 VAL HA H 80 3.510 3.596 -0.086 1 1 872 . 2 1 1 A 80 80 VAL C C 80 179.087 177.971 1.116 1 1 873 . 2 1 1 A 80 80 VAL CA C 80 66.912 66.617 0.295 1 1 874 . 2 1 1 A 80 80 VAL CB C 80 31.781 31.759 0.022 1 1 877 . 2 1 1 A 80 80 VAL N N 80 116.720 117.601 -0.881 1 1 878 . 2 1 1 A 81 81 GLU H H 81 7.834 8.364 -0.530 1 1 879 . 2 1 1 A 81 81 GLU HA H 81 4.195 4.116 0.079 1 1 884 . 2 1 1 A 81 81 GLU C C 81 178.847 178.658 0.189 1 1 885 . 2 1 1 A 81 81 GLU CA C 81 59.100 58.767 0.333 1 1 886 . 2 1 1 A 81 81 GLU CB C 81 28.818 29.574 -0.756 1 1 888 . 2 1 1 A 81 81 GLU N N 81 121.198 120.120 1.078 1 1 889 . 2 1 1 A 82 82 ARG H H 82 8.004 7.729 0.275 1 1 890 . 2 1 1 A 82 82 ARG HA H 82 4.021 4.107 -0.086 1 1 897 . 2 1 1 A 82 82 ARG C C 82 179.863 179.058 0.805 1 1 898 . 2 1 1 A 82 82 ARG CA C 82 58.487 58.734 -0.247 1 1 899 . 2 1 1 A 82 82 ARG CB C 82 29.026 30.202 -1.176 1 1 902 . 2 1 1 A 82 82 ARG N N 82 119.267 118.743 0.524 1 1 903 . 2 1 1 A 83 83 ILE H H 83 7.875 8.174 -0.299 1 1 904 . 2 1 1 A 83 83 ILE HA H 83 3.467 3.715 -0.248 1 1 914 . 2 1 1 A 83 83 ILE C C 83 179.211 177.990 1.221 1 1 915 . 2 1 1 A 83 83 ILE CA C 83 65.491 65.077 0.414 1 1 916 . 2 1 1 A 83 83 ILE CB C 83 38.055 37.378 0.677 1 1 920 . 2 1 1 A 83 83 ILE N N 83 120.039 121.341 -1.302 1 1 921 . 2 1 1 A 84 84 ARG H H 84 8.207 8.154 0.053 1 1 922 . 2 1 1 A 84 84 ARG HA H 84 4.125 4.124 0.001 1 1 929 . 2 1 1 A 84 84 ARG C C 84 179.062 177.715 1.347 1 1 930 . 2 1 1 A 84 84 ARG CA C 84 59.643 58.675 0.968 1 1 931 . 2 1 1 A 84 84 ARG CB C 84 30.197 30.017 0.180 1 1 934 . 2 1 1 A 84 84 ARG N N 84 121.315 120.413 0.902 1 1 935 . 2 1 1 A 85 85 ALA H H 85 8.366 7.725 0.641 1 1 936 . 2 1 1 A 85 85 ALA HA H 85 4.241 4.237 0.004 1 1 940 . 2 1 1 A 85 85 ALA C C 85 179.042 179.413 -0.371 1 1 941 . 2 1 1 A 85 85 ALA CA C 85 53.695 53.615 0.080 1 1 942 . 2 1 1 A 85 85 ALA CB C 85 18.806 18.623 0.183 1 1 943 . 2 1 1 A 85 85 ALA N N 85 120.166 122.067 -1.901 1 1 944 . 2 1 1 A 86 86 GLY H H 86 7.470 7.978 -0.508 1 1 945 . 2 1 1 A 86 86 GLY HA2 H 86 4.134 3.925 0.209 1 1 946 . 2 1 1 A 86 86 GLY HA3 H 86 4.134 3.931 0.203 1 1 947 . 2 1 1 A 86 86 GLY C C 86 174.699 174.639 0.060 1 1 948 . 2 1 1 A 86 86 GLY CA C 86 45.902 46.163 -0.261 1 1 949 . 2 1 1 A 86 86 GLY N N 86 104.067 106.782 -2.715 1 1 950 . 2 1 1 A 87 87 GLY H H 87 7.688 7.924 -0.236 1 1 951 . 2 1 1 A 87 87 GLY HA2 H 87 4.528 4.079 0.449 1 1 952 . 2 1 1 A 87 87 GLY HA3 H 87 3.835 4.079 -0.244 1 1 953 . 2 1 1 A 87 87 GLY C C 87 173.611 173.953 -0.342 1 1 954 . 2 1 1 A 87 87 GLY CA C 87 44.677 44.604 0.073 1 1 955 . 2 1 1 A 87 87 GLY N N 87 107.458 106.042 1.416 1 1 956 . 2 1 1 A 88 88 PRO HA H 88 4.306 4.519 -0.213 1 1 963 . 2 1 1 A 88 88 PRO C C 88 175.247 176.460 -1.213 1 1 964 . 2 1 1 A 88 88 PRO CA C 88 64.596 64.198 0.398 1 1 965 . 2 1 1 A 88 88 PRO CB C 88 32.405 32.032 0.373 1 1 968 . 2 1 1 A 89 89 GLN H H 89 7.606 8.123 -0.517 1 1 969 . 2 1 1 A 89 89 GLN HA H 89 5.343 4.883 0.460 1 1 976 . 2 1 1 A 89 89 GLN C C 89 173.750 174.290 -0.540 1 1 977 . 2 1 1 A 89 89 GLN CA C 89 54.626 55.133 -0.507 1 1 978 . 2 1 1 A 89 89 GLN CB C 89 31.870 30.642 1.228 1 1 980 . 2 1 1 A 89 89 GLN N N 89 116.964 118.689 -1.725 1 1 982 . 2 1 1 A 90 90 LEU H H 90 8.610 8.463 0.147 1 1 983 . 2 1 1 A 90 90 LEU HA H 90 4.757 4.808 -0.051 1 1 993 . 2 1 1 A 90 90 LEU C C 90 173.607 175.330 -1.723 1 1 994 . 2 1 1 A 90 90 LEU CA C 90 53.730 53.591 0.139 1 1 995 . 2 1 1 A 90 90 LEU CB C 90 45.549 43.993 1.556 1 1 999 . 2 1 1 A 90 90 LEU N N 90 124.460 127.048 -2.588 1 1 1000 . 2 1 1 A 91 91 HIS H H 91 8.826 8.462 0.364 1 1 1001 . 2 1 1 A 91 91 HIS HA H 91 5.207 5.690 -0.483 1 1 1006 . 2 1 1 A 91 91 HIS C C 91 174.745 173.176 1.569 1 1 1007 . 2 1 1 A 91 91 HIS CA C 91 55.093 53.972 1.121 1 1 1008 . 2 1 1 A 91 91 HIS CB C 91 32.686 33.176 -0.490 1 1 1011 . 2 1 1 A 91 91 HIS N N 91 126.871 126.166 0.705 1 1 1012 . 2 1 1 A 92 92 LEU H H 92 9.024 8.387 0.637 1 1 1013 . 2 1 1 A 92 92 LEU HA H 92 5.203 4.865 0.338 1 1 1023 . 2 1 1 A 92 92 LEU C C 92 175.889 175.225 0.664 1 1 1024 . 2 1 1 A 92 92 LEU CA C 92 52.955 53.175 -0.220 1 1 1025 . 2 1 1 A 92 92 LEU CB C 92 46.233 45.967 0.266 1 1 1029 . 2 1 1 A 92 92 LEU N N 92 125.837 127.881 -2.044 1 1 1030 . 2 1 1 A 93 93 VAL H H 93 7.739 8.554 -0.815 1 1 1031 . 2 1 1 A 93 93 VAL HA H 93 4.568 4.747 -0.179 1 1 1039 . 2 1 1 A 93 93 VAL C C 93 174.538 174.873 -0.335 1 1 1040 . 2 1 1 A 93 93 VAL CA C 93 62.666 61.647 1.019 1 1 1041 . 2 1 1 A 93 93 VAL CB C 93 32.838 32.209 0.629 1 1 1044 . 2 1 1 A 93 93 VAL N N 93 120.566 124.065 -3.499 1 1 1045 . 2 1 1 A 94 94 ILE H H 94 8.965 8.621 0.344 1 1 1046 . 2 1 1 A 94 94 ILE HA H 94 5.152 4.801 0.351 1 1 1056 . 2 1 1 A 94 94 ILE C C 94 174.723 174.094 0.629 1 1 1057 . 2 1 1 A 94 94 ILE CA C 94 56.360 59.076 -2.716 1 1 1058 . 2 1 1 A 94 94 ILE CB C 94 39.214 40.205 -0.991 1 1 1062 . 2 1 1 A 94 94 ILE N N 94 128.952 128.040 0.912 1 1 1063 . 2 1 1 A 95 95 ARG H H 95 8.286 8.748 -0.462 1 1 1064 . 2 1 1 A 95 95 ARG HA H 95 4.715 4.686 0.029 1 1 1071 . 2 1 1 A 95 95 ARG C C 95 173.665 174.928 -1.263 1 1 1072 . 2 1 1 A 95 95 ARG CA C 95 54.982 54.638 0.344 1 1 1073 . 2 1 1 A 95 95 ARG CB C 95 34.833 33.458 1.375 1 1 1076 . 2 1 1 A 95 95 ARG N N 95 120.920 126.336 -5.416 1 1 1077 . 2 1 1 A 96 96 ARG H H 96 9.238 8.834 0.404 1 1 1078 . 2 1 1 A 96 96 ARG HA H 96 4.984 4.417 0.567 1 1 1086 . 2 1 1 A 96 96 ARG C C 96 174.582 175.025 -0.443 1 1 1087 . 2 1 1 A 96 96 ARG CA C 96 53.219 54.410 -1.191 1 1 1088 . 2 1 1 A 96 96 ARG CB C 96 31.369 30.981 0.388 1 1 1091 . 2 1 1 A 96 96 ARG N N 96 129.955 128.713 1.242 1 1 1093 . 2 1 1 A 97 97 PRO HA H 97 4.424 4.656 -0.232 1 1 1100 . 2 1 1 A 97 97 PRO C C 97 176.289 175.806 0.483 1 1 1101 . 2 1 1 A 97 97 PRO CA C 97 63.322 62.264 1.058 1 1 1102 . 2 1 1 A 97 97 PRO CB C 97 32.240 33.177 -0.937 1 1 1105 . 2 1 1 A 98 98 LEU H H 98 8.325 8.230 0.095 1 1 1106 . 2 1 1 A 98 98 LEU HA H 98 4.399 5.162 -0.763 1 1 1116 . 2 1 1 A 98 98 LEU C C 98 177.395 175.200 2.195 1 1 1117 . 2 1 1 A 98 98 LEU CA C 98 55.165 53.583 1.582 1 1 1118 . 2 1 1 A 98 98 LEU CB C 98 42.419 43.197 -0.778 1 1 1122 . 2 1 1 A 98 98 LEU N N 98 122.396 117.206 5.190 1 1 1123 . 2 1 1 A 99 99 SER H H 99 8.333 9.044 -0.711 1 1 1124 . 2 1 1 A 99 99 SER HA H 99 4.483 5.096 -0.613 1 1 1127 . 2 1 1 A 99 99 SER C C 99 174.489 173.547 0.942 1 1 1128 . 2 1 1 A 99 99 SER CA C 99 58.138 56.730 1.408 1 1 1129 . 2 1 1 A 99 99 SER CB C 99 63.846 65.049 -1.203 1 1 1130 . 2 1 1 A 99 99 SER N N 99 116.892 122.125 -5.233 1 1 1131 . 2 1 1 A 100 100 GLY H H 100 8.253 8.140 0.113 1 1 1132 . 2 1 1 A 100 100 GLY HA2 H 100 4.177 4.227 -0.050 1 1 1133 . 2 1 1 A 100 100 GLY HA3 H 100 4.101 4.227 -0.126 1 1 1134 . 2 1 1 A 100 100 GLY C C 100 171.838 172.843 -1.005 1 1 1135 . 2 1 1 A 100 100 GLY CA C 100 44.679 45.865 -1.186 1 1 1136 . 2 1 1 A 100 100 GLY N N 100 110.703 111.075 -0.372 1 1 1137 . 2 1 1 A 101 101 PRO HA H 101 4.480 4.534 -0.054 1 1 1144 . 2 1 1 A 101 101 PRO C C 101 177.411 177.582 -0.171 1 1 1145 . 2 1 1 A 101 101 PRO CA C 101 63.312 62.199 1.113 1 1 1146 . 2 1 1 A 101 101 PRO CB C 101 32.158 30.017 2.141 1 1 1149 . 2 1 1 A 102 102 SER H H 102 8.517 8.230 0.287 1 1 1150 . 2 1 1 A 102 102 SER C C 102 174.655 173.914 0.741 1 1 1151 . 2 1 1 A 102 102 SER CA C 102 58.438 61.254 -2.816 1 1 1152 . 2 1 1 A 102 102 SER CB C 102 63.970 63.376 0.594 1 1 1 . 3 1 1 A 2 2 SER HA H 2 4.493 5.229 -0.736 1 1 4 . 3 1 1 A 2 2 SER C C 2 174.671 173.150 1.521 1 1 5 . 3 1 1 A 2 2 SER CA C 2 58.438 56.211 2.227 1 1 6 . 3 1 1 A 2 2 SER CB C 2 63.558 65.726 -2.168 1 1 7 . 3 1 1 A 3 3 SER H H 3 8.324 8.719 -0.395 1 1 8 . 3 1 1 A 3 3 SER HA H 3 4.493 4.136 0.357 1 1 11 . 3 1 1 A 3 3 SER C C 3 173.918 175.714 -1.796 1 1 12 . 3 1 1 A 3 3 SER CA C 3 58.455 59.864 -1.409 1 1 13 . 3 1 1 A 3 3 SER CB C 3 63.929 62.927 1.002 1 1 14 . 3 1 1 A 3 3 SER N N 3 117.862 120.322 -2.460 1 1 15 . 3 1 1 A 4 4 GLY H H 4 8.045 8.899 -0.854 1 1 16 . 3 1 1 A 4 4 GLY C C 4 179.001 174.093 4.908 1 1 17 . 3 1 1 A 4 4 GLY CA C 4 46.201 47.025 -0.824 1 1 18 . 3 1 1 A 4 4 GLY N N 4 116.862 114.956 1.906 1 1 19 . 3 1 1 A 6 6 SER HA H 6 4.461 4.344 0.117 1 1 22 . 3 1 1 A 6 6 SER C C 6 175.170 175.057 0.113 1 1 23 . 3 1 1 A 6 6 SER CA C 6 58.755 60.178 -1.423 1 1 24 . 3 1 1 A 6 6 SER CB C 6 63.862 62.786 1.076 1 1 25 . 3 1 1 A 7 7 GLY H H 7 8.432 8.369 0.063 1 1 26 . 3 1 1 A 7 7 GLY HA2 H 7 3.966 4.025 -0.059 1 1 27 . 3 1 1 A 7 7 GLY C C 7 174.309 174.591 -0.282 1 1 28 . 3 1 1 A 7 7 GLY CA C 7 45.408 45.591 -0.183 1 1 29 . 3 1 1 A 7 7 GLY N N 7 110.678 112.765 -2.087 1 1 30 . 3 1 1 A 8 8 GLN H H 8 8.210 7.938 0.272 1 1 31 . 3 1 1 A 8 8 GLN HA H 8 4.324 4.255 0.069 1 1 38 . 3 1 1 A 8 8 GLN C C 8 176.037 175.208 0.829 1 1 39 . 3 1 1 A 8 8 GLN CA C 8 55.970 56.717 -0.747 1 1 40 . 3 1 1 A 8 8 GLN CB C 8 29.562 29.556 0.006 1 1 42 . 3 1 1 A 8 8 GLN N N 8 119.977 121.778 -1.801 1 1 44 . 3 1 1 A 9 9 ALA H H 9 8.394 8.819 -0.425 1 1 45 . 3 1 1 A 9 9 ALA HA H 9 4.319 4.827 -0.508 1 1 49 . 3 1 1 A 9 9 ALA C C 9 177.635 174.885 2.750 1 1 50 . 3 1 1 A 9 9 ALA CA C 9 52.531 51.447 1.084 1 1 51 . 3 1 1 A 9 9 ALA CB C 9 19.136 23.523 -4.387 1 1 52 . 3 1 1 A 9 9 ALA N N 9 125.301 128.011 -2.710 1 1 53 . 3 1 1 A 10 10 SER H H 10 8.259 8.611 -0.352 1 1 54 . 3 1 1 A 10 10 SER HA H 10 4.440 5.342 -0.902 1 1 57 . 3 1 1 A 10 10 SER C C 10 175.138 173.411 1.727 1 1 58 . 3 1 1 A 10 10 SER CA C 10 58.649 56.654 1.995 1 1 59 . 3 1 1 A 10 10 SER CB C 10 63.888 64.478 -0.590 1 1 60 . 3 1 1 A 10 10 SER N N 10 114.874 113.685 1.189 1 1 61 . 3 1 1 A 11 11 GLY H H 11 8.493 8.257 0.236 1 1 62 . 3 1 1 A 11 11 GLY HA2 H 11 4.039 3.972 0.067 1 1 63 . 3 1 1 A 11 11 GLY HA3 H 11 4.039 4.120 -0.081 1 1 64 . 3 1 1 A 11 11 GLY C C 11 173.678 172.828 0.850 1 1 65 . 3 1 1 A 11 11 GLY CA C 11 45.531 45.590 -0.059 1 1 66 . 3 1 1 A 11 11 GLY N N 11 110.301 111.075 -0.774 1 1 67 . 3 1 1 A 12 12 HIS H H 12 7.970 7.790 0.180 1 1 68 . 3 1 1 A 12 12 HIS HA H 12 5.442 5.033 0.409 1 1 73 . 3 1 1 A 12 12 HIS C C 12 175.304 174.809 0.495 1 1 74 . 3 1 1 A 12 12 HIS CA C 12 55.095 54.268 0.827 1 1 75 . 3 1 1 A 12 12 HIS CB C 12 31.849 31.571 0.278 1 1 78 . 3 1 1 A 12 12 HIS N N 12 119.432 121.231 -1.799 1 1 79 . 3 1 1 A 13 13 PHE H H 13 8.940 8.185 0.755 1 1 80 . 3 1 1 A 13 13 PHE HA H 13 5.072 5.291 -0.219 1 1 88 . 3 1 1 A 13 13 PHE C C 13 172.688 174.433 -1.745 1 1 89 . 3 1 1 A 13 13 PHE CA C 13 56.269 55.064 1.205 1 1 90 . 3 1 1 A 13 13 PHE CB C 13 40.835 41.904 -1.069 1 1 96 . 3 1 1 A 13 13 PHE N N 13 118.413 118.949 -0.536 1 1 97 . 3 1 1 A 14 14 SER H H 14 8.709 9.162 -0.453 1 1 98 . 3 1 1 A 14 14 SER HA H 14 5.580 5.382 0.198 1 1 101 . 3 1 1 A 14 14 SER C C 14 174.119 174.003 0.116 1 1 102 . 3 1 1 A 14 14 SER CA C 14 56.974 55.607 1.367 1 1 103 . 3 1 1 A 14 14 SER CB C 14 65.778 66.207 -0.429 1 1 104 . 3 1 1 A 14 14 SER N N 14 115.082 113.340 1.742 1 1 105 . 3 1 1 A 15 15 VAL H H 15 8.801 8.697 0.104 1 1 106 . 3 1 1 A 15 15 VAL HA H 15 4.373 4.733 -0.360 1 1 114 . 3 1 1 A 15 15 VAL C C 15 173.002 174.897 -1.895 1 1 115 . 3 1 1 A 15 15 VAL CA C 15 61.312 61.313 -0.001 1 1 116 . 3 1 1 A 15 15 VAL CB C 15 36.461 34.500 1.961 1 1 119 . 3 1 1 A 15 15 VAL N N 15 121.148 121.542 -0.394 1 1 120 . 3 1 1 A 16 16 GLU H H 16 8.383 9.035 -0.652 1 1 121 . 3 1 1 A 16 16 GLU HA H 16 5.299 5.109 0.190 1 1 126 . 3 1 1 A 16 16 GLU C C 16 175.408 175.426 -0.018 1 1 127 . 3 1 1 A 16 16 GLU CA C 16 54.594 55.361 -0.767 1 1 128 . 3 1 1 A 16 16 GLU CB C 16 31.993 31.231 0.762 1 1 130 . 3 1 1 A 16 16 GLU N N 16 125.925 127.059 -1.134 1 1 131 . 3 1 1 A 17 17 LEU H H 17 9.172 8.656 0.516 1 1 132 . 3 1 1 A 17 17 LEU HA H 17 5.000 5.195 -0.195 1 1 142 . 3 1 1 A 17 17 LEU C C 17 175.596 176.218 -0.622 1 1 143 . 3 1 1 A 17 17 LEU CA C 17 52.919 53.533 -0.614 1 1 144 . 3 1 1 A 17 17 LEU CB C 17 47.317 46.859 0.458 1 1 148 . 3 1 1 A 17 17 LEU N N 17 122.761 126.041 -3.280 1 1 149 . 3 1 1 A 18 18 VAL H H 18 8.546 8.944 -0.398 1 1 150 . 3 1 1 A 18 18 VAL HA H 18 4.831 4.700 0.131 1 1 158 . 3 1 1 A 18 18 VAL C C 18 175.783 175.834 -0.051 1 1 159 . 3 1 1 A 18 18 VAL CA C 18 61.277 61.084 0.193 1 1 160 . 3 1 1 A 18 18 VAL CB C 18 33.600 34.574 -0.974 1 1 163 . 3 1 1 A 18 18 VAL N N 18 122.523 121.497 1.026 1 1 164 . 3 1 1 A 19 19 ARG H H 19 8.495 8.418 0.077 1 1 165 . 3 1 1 A 19 19 ARG HA H 19 2.868 3.026 -0.158 1 1 172 . 3 1 1 A 19 19 ARG C C 19 176.248 175.638 0.610 1 1 173 . 3 1 1 A 19 19 ARG CA C 19 58.138 56.824 1.314 1 1 174 . 3 1 1 A 19 19 ARG CB C 19 30.839 30.546 0.293 1 1 177 . 3 1 1 A 19 19 ARG N N 19 127.015 128.404 -1.389 1 1 178 . 3 1 1 A 20 20 GLY H H 20 7.244 7.808 -0.564 1 1 179 . 3 1 1 A 20 20 GLY HA2 H 20 4.504 4.037 0.467 1 1 180 . 3 1 1 A 20 20 GLY HA3 H 20 3.750 4.040 -0.290 1 1 181 . 3 1 1 A 20 20 GLY C C 20 175.286 174.490 0.796 1 1 182 . 3 1 1 A 20 20 GLY CA C 20 44.131 44.183 -0.052 1 1 183 . 3 1 1 A 20 20 GLY N N 20 112.266 112.918 -0.652 1 1 184 . 3 1 1 A 21 21 TYR HA H 21 4.219 3.959 0.260 1 1 191 . 3 1 1 A 21 21 TYR C C 21 176.309 174.918 1.391 1 1 192 . 3 1 1 A 21 21 TYR CA C 21 60.518 61.139 -0.621 1 1 193 . 3 1 1 A 21 21 TYR CB C 21 37.826 39.071 -1.245 1 1 198 . 3 1 1 A 22 22 ALA H H 22 8.272 7.831 0.441 1 1 199 . 3 1 1 A 22 22 ALA HA H 22 4.404 4.327 0.077 1 1 203 . 3 1 1 A 22 22 ALA C C 22 177.312 177.405 -0.093 1 1 204 . 3 1 1 A 22 22 ALA CA C 22 50.816 50.827 -0.011 1 1 205 . 3 1 1 A 22 22 ALA CB C 22 18.455 20.267 -1.812 1 1 206 . 3 1 1 A 22 22 ALA N N 22 121.539 119.460 2.079 1 1 207 . 3 1 1 A 23 23 GLY H H 23 7.495 8.843 -1.348 1 1 208 . 3 1 1 A 23 23 GLY HA2 H 23 4.541 3.827 0.714 1 1 209 . 3 1 1 A 23 23 GLY HA3 H 23 3.238 3.895 -0.657 1 1 210 . 3 1 1 A 23 23 GLY C C 23 175.043 174.762 0.281 1 1 211 . 3 1 1 A 23 23 GLY CA C 23 44.897 46.371 -1.474 1 1 212 . 3 1 1 A 23 23 GLY N N 23 106.744 114.697 -7.953 1 1 213 . 3 1 1 A 24 24 PHE H H 24 7.242 8.802 -1.560 1 1 214 . 3 1 1 A 24 24 PHE HA H 24 4.369 4.593 -0.224 1 1 222 . 3 1 1 A 24 24 PHE C C 24 175.902 175.523 0.379 1 1 223 . 3 1 1 A 24 24 PHE CA C 24 60.347 57.848 2.499 1 1 224 . 3 1 1 A 24 24 PHE CB C 24 39.575 39.692 -0.117 1 1 230 . 3 1 1 A 25 25 GLY H H 25 8.820 8.093 0.727 1 1 231 . 3 1 1 A 25 25 GLY HA2 H 25 4.134 4.020 0.114 1 1 232 . 3 1 1 A 25 25 GLY HA3 H 25 3.913 4.023 -0.110 1 1 233 . 3 1 1 A 25 25 GLY C C 25 174.585 174.412 0.173 1 1 234 . 3 1 1 A 25 25 GLY CA C 25 47.030 46.650 0.380 1 1 235 . 3 1 1 A 25 25 GLY N N 25 107.899 109.649 -1.750 1 1 236 . 3 1 1 A 26 26 LEU H H 26 7.991 7.832 0.159 1 1 237 . 3 1 1 A 26 26 LEU HA H 26 4.990 4.883 0.107 1 1 247 . 3 1 1 A 26 26 LEU C C 26 174.135 175.122 -0.987 1 1 248 . 3 1 1 A 26 26 LEU CA C 26 53.906 53.718 0.188 1 1 249 . 3 1 1 A 26 26 LEU CB C 26 45.939 43.708 2.231 1 1 253 . 3 1 1 A 26 26 LEU N N 26 122.133 122.861 -0.728 1 1 254 . 3 1 1 A 27 27 THR H H 27 8.657 8.813 -0.156 1 1 255 . 3 1 1 A 27 27 THR HA H 27 4.662 5.178 -0.516 1 1 260 . 3 1 1 A 27 27 THR C C 27 174.074 173.358 0.716 1 1 261 . 3 1 1 A 27 27 THR CA C 27 61.382 61.438 -0.056 1 1 262 . 3 1 1 A 27 27 THR CB C 27 70.010 71.649 -1.639 1 1 264 . 3 1 1 A 27 27 THR N N 27 121.262 123.590 -2.328 1 1 265 . 3 1 1 A 28 28 LEU H H 28 9.692 9.003 0.689 1 1 266 . 3 1 1 A 28 28 LEU HA H 28 5.297 5.045 0.252 1 1 276 . 3 1 1 A 28 28 LEU C C 28 175.414 175.814 -0.400 1 1 277 . 3 1 1 A 28 28 LEU CA C 28 53.219 52.989 0.230 1 1 278 . 3 1 1 A 28 28 LEU CB C 28 45.049 44.216 0.833 1 1 282 . 3 1 1 A 28 28 LEU N N 28 128.374 125.412 2.962 1 1 283 . 3 1 1 A 29 29 GLY H H 29 8.818 8.418 0.400 1 1 284 . 3 1 1 A 29 29 GLY HA2 H 29 4.089 4.107 -0.018 1 1 285 . 3 1 1 A 29 29 GLY HA3 H 29 3.664 4.160 -0.496 1 1 286 . 3 1 1 A 29 29 GLY C C 29 171.700 174.317 -2.617 1 1 287 . 3 1 1 A 29 29 GLY CA C 29 44.086 44.577 -0.491 1 1 288 . 3 1 1 A 29 29 GLY N N 29 106.574 112.652 -6.078 1 1 289 . 3 1 1 A 30 30 GLY H H 30 8.339 8.212 0.127 1 1 290 . 3 1 1 A 30 30 GLY HA2 H 30 4.434 3.971 0.463 1 1 291 . 3 1 1 A 30 30 GLY HA3 H 30 3.554 3.980 -0.426 1 1 292 . 3 1 1 A 30 30 GLY C C 30 174.290 173.886 0.404 1 1 293 . 3 1 1 A 30 30 GLY CA C 30 44.879 44.818 0.061 1 1 294 . 3 1 1 A 30 30 GLY N N 30 107.245 111.238 -3.993 1 1 295 . 3 1 1 A 31 31 GLY H H 31 7.292 8.560 -1.268 1 1 296 . 3 1 1 A 31 31 GLY HA2 H 31 4.439 3.940 0.499 1 1 297 . 3 1 1 A 31 31 GLY HA3 H 31 4.000 3.957 0.043 1 1 298 . 3 1 1 A 31 31 GLY C C 31 174.513 173.935 0.578 1 1 299 . 3 1 1 A 31 31 GLY CA C 31 43.589 45.519 -1.930 1 1 300 . 3 1 1 A 31 31 GLY N N 31 107.984 108.729 -0.745 1 1 301 . 3 1 1 A 32 32 ARG H H 32 8.065 8.370 -0.305 1 1 302 . 3 1 1 A 32 32 ARG HA H 32 4.380 4.501 -0.121 1 1 309 . 3 1 1 A 32 32 ARG C C 32 176.139 174.423 1.716 1 1 310 . 3 1 1 A 32 32 ARG CA C 32 57.354 55.686 1.668 1 1 311 . 3 1 1 A 32 32 ARG CB C 32 30.080 30.711 -0.631 1 1 314 . 3 1 1 A 32 32 ARG N N 32 121.733 123.744 -2.011 1 1 315 . 3 1 1 A 33 33 ASP H H 33 8.916 8.172 0.744 1 1 316 . 3 1 1 A 33 33 ASP HA H 33 4.799 5.043 -0.244 1 1 319 . 3 1 1 A 33 33 ASP C C 33 176.381 176.472 -0.091 1 1 320 . 3 1 1 A 33 33 ASP CA C 33 53.783 52.453 1.330 1 1 321 . 3 1 1 A 33 33 ASP CB C 33 43.712 43.683 0.029 1 1 322 . 3 1 1 A 33 33 ASP N N 33 126.313 126.493 -0.180 1 1 323 . 3 1 1 A 34 34 VAL H H 34 8.372 8.623 -0.251 1 1 324 . 3 1 1 A 34 34 VAL HA H 34 3.943 3.915 0.028 1 1 329 . 3 1 1 A 34 34 VAL C C 34 176.591 177.024 -0.433 1 1 330 . 3 1 1 A 34 34 VAL CA C 34 64.644 64.686 -0.042 1 1 331 . 3 1 1 A 34 34 VAL CB C 34 31.796 31.859 -0.063 1 1 333 . 3 1 1 A 34 34 VAL N N 34 121.465 124.692 -3.227 1 1 334 . 3 1 1 A 35 35 ALA H H 35 8.577 7.634 0.943 1 1 335 . 3 1 1 A 35 35 ALA HA H 35 4.386 4.330 0.056 1 1 339 . 3 1 1 A 35 35 ALA C C 35 177.532 176.711 0.821 1 1 340 . 3 1 1 A 35 35 ALA CA C 35 52.589 51.909 0.680 1 1 341 . 3 1 1 A 35 35 ALA CB C 35 19.095 19.095 0.000 1 1 342 . 3 1 1 A 35 35 ALA N N 35 123.222 121.648 1.574 1 1 343 . 3 1 1 A 36 36 GLY H H 36 7.816 7.113 0.703 1 1 344 . 3 1 1 A 36 36 GLY HA2 H 36 4.274 4.031 0.243 1 1 345 . 3 1 1 A 36 36 GLY HA3 H 36 3.723 4.033 -0.310 1 1 346 . 3 1 1 A 36 36 GLY C C 36 172.610 172.699 -0.089 1 1 347 . 3 1 1 A 36 36 GLY CA C 36 45.161 44.285 0.876 1 1 348 . 3 1 1 A 36 36 GLY N N 36 107.925 106.215 1.710 1 1 349 . 3 1 1 A 37 37 ASP H H 37 8.604 8.503 0.101 1 1 350 . 3 1 1 A 37 37 ASP HA H 37 4.810 5.119 -0.309 1 1 353 . 3 1 1 A 37 37 ASP C C 37 176.081 175.754 0.327 1 1 354 . 3 1 1 A 37 37 ASP CA C 37 54.700 53.027 1.673 1 1 355 . 3 1 1 A 37 37 ASP CB C 37 41.076 41.668 -0.592 1 1 356 . 3 1 1 A 37 37 ASP N N 37 124.969 119.467 5.502 1 1 357 . 3 1 1 A 38 38 THR H H 38 7.679 8.744 -1.065 1 1 358 . 3 1 1 A 38 38 THR HA H 38 4.704 4.997 -0.293 1 1 363 . 3 1 1 A 38 38 THR C C 38 172.712 172.588 0.124 1 1 364 . 3 1 1 A 38 38 THR CA C 38 59.810 58.616 1.194 1 1 365 . 3 1 1 A 38 38 THR CB C 38 70.420 69.587 0.833 1 1 367 . 3 1 1 A 38 38 THR N N 38 116.498 115.738 0.760 1 1 368 . 3 1 1 A 39 39 PRO HA H 39 4.305 4.645 -0.340 1 1 375 . 3 1 1 A 39 39 PRO C C 39 176.355 176.941 -0.586 1 1 376 . 3 1 1 A 39 39 PRO CA C 39 63.304 62.737 0.567 1 1 377 . 3 1 1 A 39 39 PRO CB C 39 32.703 31.782 0.921 1 1 380 . 3 1 1 A 40 40 LEU H H 40 8.247 8.168 0.079 1 1 381 . 3 1 1 A 40 40 LEU HA H 40 4.704 4.354 0.350 1 1 391 . 3 1 1 A 40 40 LEU C C 40 176.631 177.355 -0.724 1 1 392 . 3 1 1 A 40 40 LEU CA C 40 55.352 55.296 0.056 1 1 393 . 3 1 1 A 40 40 LEU CB C 40 42.524 42.750 -0.226 1 1 397 . 3 1 1 A 40 40 LEU N N 40 125.558 124.210 1.348 1 1 398 . 3 1 1 A 41 41 ALA H H 41 8.856 8.755 0.101 1 1 399 . 3 1 1 A 41 41 ALA HA H 41 5.465 4.989 0.476 1 1 403 . 3 1 1 A 41 41 ALA C C 41 176.658 176.049 0.609 1 1 404 . 3 1 1 A 41 41 ALA CA C 41 50.503 51.703 -1.200 1 1 405 . 3 1 1 A 41 41 ALA CB C 41 24.074 22.834 1.240 1 1 406 . 3 1 1 A 41 41 ALA N N 41 128.426 124.926 3.500 1 1 407 . 3 1 1 A 42 42 VAL H H 42 9.160 8.501 0.659 1 1 408 . 3 1 1 A 42 42 VAL HA H 42 3.803 4.051 -0.248 1 1 416 . 3 1 1 A 42 42 VAL C C 42 176.499 175.666 0.833 1 1 417 . 3 1 1 A 42 42 VAL CA C 42 64.196 63.678 0.518 1 1 418 . 3 1 1 A 42 42 VAL CB C 42 31.773 31.807 -0.034 1 1 421 . 3 1 1 A 42 42 VAL N N 42 119.342 122.989 -3.647 1 1 422 . 3 1 1 A 43 43 ARG H H 43 9.385 9.112 0.273 1 1 423 . 3 1 1 A 43 43 ARG HA H 43 4.527 4.367 0.160 1 1 430 . 3 1 1 A 43 43 ARG C C 43 175.332 176.221 -0.889 1 1 431 . 3 1 1 A 43 43 ARG CA C 43 55.340 57.402 -2.062 1 1 432 . 3 1 1 A 43 43 ARG CB C 43 32.242 31.637 0.605 1 1 435 . 3 1 1 A 43 43 ARG N N 43 131.043 129.203 1.840 1 1 436 . 3 1 1 A 44 44 GLY H H 44 7.872 7.834 0.038 1 1 437 . 3 1 1 A 44 44 GLY HA2 H 44 4.155 4.181 -0.026 1 1 438 . 3 1 1 A 44 44 GLY HA3 H 44 3.765 4.184 -0.419 1 1 439 . 3 1 1 A 44 44 GLY C C 44 170.284 171.785 -1.501 1 1 440 . 3 1 1 A 44 44 GLY CA C 44 45.602 43.997 1.605 1 1 441 . 3 1 1 A 44 44 GLY N N 44 107.517 107.679 -0.162 1 1 442 . 3 1 1 A 45 45 LEU H H 45 8.455 9.431 -0.976 1 1 443 . 3 1 1 A 45 45 LEU HA H 45 4.915 4.934 -0.019 1 1 453 . 3 1 1 A 45 45 LEU C C 45 175.215 176.792 -1.577 1 1 454 . 3 1 1 A 45 45 LEU CA C 45 52.795 54.155 -1.360 1 1 455 . 3 1 1 A 45 45 LEU CB C 45 44.824 43.602 1.222 1 1 459 . 3 1 1 A 45 45 LEU N N 45 121.812 122.904 -1.092 1 1 460 . 3 1 1 A 46 46 LEU H H 46 7.582 8.921 -1.339 1 1 461 . 3 1 1 A 46 46 LEU HA H 46 4.208 4.337 -0.129 1 1 471 . 3 1 1 A 46 46 LEU C C 46 177.935 176.560 1.375 1 1 472 . 3 1 1 A 46 46 LEU CA C 46 54.984 56.199 -1.215 1 1 473 . 3 1 1 A 46 46 LEU CB C 46 42.815 42.459 0.356 1 1 477 . 3 1 1 A 46 46 LEU N N 46 124.670 128.744 -4.074 1 1 478 . 3 1 1 A 47 47 LYS H H 47 8.959 8.663 0.296 1 1 479 . 3 1 1 A 47 47 LYS HA H 47 3.875 3.914 -0.039 1 1 488 . 3 1 1 A 47 47 LYS C C 47 176.699 176.978 -0.279 1 1 489 . 3 1 1 A 47 47 LYS CA C 47 58.861 57.538 1.323 1 1 490 . 3 1 1 A 47 47 LYS CB C 47 32.076 32.399 -0.323 1 1 494 . 3 1 1 A 47 47 LYS N N 47 129.726 126.867 2.859 1 1 495 . 3 1 1 A 48 48 ASP H H 48 8.845 9.049 -0.204 1 1 496 . 3 1 1 A 48 48 ASP HA H 48 4.395 4.237 0.158 1 1 499 . 3 1 1 A 48 48 ASP C C 48 175.442 175.503 -0.061 1 1 500 . 3 1 1 A 48 48 ASP CA C 48 56.632 55.333 1.299 1 1 501 . 3 1 1 A 48 48 ASP CB C 48 39.740 39.600 0.140 1 1 502 . 3 1 1 A 48 48 ASP N N 48 119.883 120.675 -0.792 1 1 503 . 3 1 1 A 49 49 GLY H H 49 7.947 7.988 -0.041 1 1 504 . 3 1 1 A 49 49 GLY HA2 H 49 4.578 4.101 0.477 1 1 505 . 3 1 1 A 49 49 GLY HA3 H 49 3.748 4.114 -0.366 1 1 506 . 3 1 1 A 49 49 GLY C C 49 172.008 174.668 -2.660 1 1 507 . 3 1 1 A 49 49 GLY CA C 49 45.000 43.946 1.054 1 1 508 . 3 1 1 A 49 49 GLY N N 49 106.565 106.263 0.302 1 1 509 . 3 1 1 A 50 50 PRO HA H 50 4.268 4.445 -0.177 1 1 516 . 3 1 1 A 50 50 PRO C C 50 179.273 177.930 1.343 1 1 517 . 3 1 1 A 50 50 PRO CA C 50 65.791 64.876 0.915 1 1 518 . 3 1 1 A 50 50 PRO CB C 50 32.532 31.936 0.596 1 1 521 . 3 1 1 A 51 51 ALA H H 51 7.805 8.227 -0.422 1 1 522 . 3 1 1 A 51 51 ALA HA H 51 4.167 4.172 -0.005 1 1 526 . 3 1 1 A 51 51 ALA C C 51 178.947 179.847 -0.900 1 1 527 . 3 1 1 A 51 51 ALA CA C 51 55.079 55.245 -0.166 1 1 528 . 3 1 1 A 51 51 ALA CB C 51 18.988 18.843 0.145 1 1 529 . 3 1 1 A 51 51 ALA N N 51 119.037 119.686 -0.649 1 1 530 . 3 1 1 A 52 52 GLN H H 52 9.614 8.062 1.552 1 1 531 . 3 1 1 A 52 52 GLN HA H 52 3.969 3.996 -0.027 1 1 538 . 3 1 1 A 52 52 GLN C C 52 178.509 178.368 0.141 1 1 539 . 3 1 1 A 52 52 GLN CA C 52 59.529 59.201 0.328 1 1 540 . 3 1 1 A 52 52 GLN CB C 52 29.107 28.505 0.602 1 1 542 . 3 1 1 A 52 52 GLN N N 52 122.017 118.130 3.887 1 1 544 . 3 1 1 A 53 53 ARG H H 53 8.524 7.872 0.652 1 1 545 . 3 1 1 A 53 53 ARG HA H 53 3.996 4.087 -0.091 1 1 552 . 3 1 1 A 53 53 ARG C C 53 178.479 179.180 -0.701 1 1 553 . 3 1 1 A 53 53 ARG CA C 53 58.825 59.065 -0.240 1 1 554 . 3 1 1 A 53 53 ARG CB C 53 30.546 29.859 0.687 1 1 557 . 3 1 1 A 53 53 ARG N N 53 116.703 118.615 -1.912 1 1 558 . 3 1 1 A 54 54 CYS H H 54 7.589 7.746 -0.157 1 1 559 . 3 1 1 A 54 54 CYS HA H 54 4.641 4.416 0.225 1 1 562 . 3 1 1 A 54 54 CYS C C 54 175.840 175.127 0.713 1 1 563 . 3 1 1 A 54 54 CYS CA C 54 59.724 59.942 -0.218 1 1 564 . 3 1 1 A 54 54 CYS CB C 54 27.419 28.245 -0.826 1 1 565 . 3 1 1 A 54 54 CYS N N 54 113.424 116.839 -3.415 1 1 566 . 3 1 1 A 55 55 GLY H H 55 7.436 7.880 -0.444 1 1 567 . 3 1 1 A 55 55 GLY HA2 H 55 4.082 3.879 0.203 1 1 568 . 3 1 1 A 55 55 GLY HA3 H 55 4.082 3.887 0.195 1 1 569 . 3 1 1 A 55 55 GLY C C 55 174.435 175.087 -0.652 1 1 570 . 3 1 1 A 55 55 GLY CA C 55 46.977 45.832 1.145 1 1 571 . 3 1 1 A 55 55 GLY N N 55 109.572 108.440 1.132 1 1 572 . 3 1 1 A 56 56 ARG H H 56 7.860 8.180 -0.320 1 1 573 . 3 1 1 A 56 56 ARG HA H 56 4.472 4.259 0.213 1 1 580 . 3 1 1 A 56 56 ARG C C 56 174.959 175.878 -0.919 1 1 581 . 3 1 1 A 56 56 ARG CA C 56 55.687 56.371 -0.684 1 1 582 . 3 1 1 A 56 56 ARG CB C 56 32.785 30.886 1.899 1 1 585 . 3 1 1 A 56 56 ARG N N 56 118.137 118.231 -0.094 1 1 586 . 3 1 1 A 57 57 LEU H H 57 8.219 7.664 0.555 1 1 587 . 3 1 1 A 57 57 LEU HA H 57 4.926 4.793 0.133 1 1 597 . 3 1 1 A 57 57 LEU C C 57 175.333 175.542 -0.209 1 1 598 . 3 1 1 A 57 57 LEU CA C 57 53.043 53.612 -0.569 1 1 599 . 3 1 1 A 57 57 LEU CB C 57 46.459 42.838 3.621 1 1 603 . 3 1 1 A 57 57 LEU N N 57 117.496 121.143 -3.647 1 1 604 . 3 1 1 A 58 58 GLU H H 58 9.053 8.985 0.068 1 1 605 . 3 1 1 A 58 58 GLU HA H 58 4.460 4.909 -0.449 1 1 610 . 3 1 1 A 58 58 GLU C C 58 175.683 175.975 -0.292 1 1 611 . 3 1 1 A 58 58 GLU CA C 58 54.144 54.582 -0.438 1 1 612 . 3 1 1 A 58 58 GLU CB C 58 33.286 33.311 -0.025 1 1 614 . 3 1 1 A 58 58 GLU N N 58 121.883 123.891 -2.008 1 1 615 . 3 1 1 A 59 59 VAL H H 59 8.727 8.458 0.269 1 1 616 . 3 1 1 A 59 59 VAL HA H 59 3.213 3.961 -0.748 1 1 624 . 3 1 1 A 59 59 VAL C C 59 177.728 176.988 0.740 1 1 625 . 3 1 1 A 59 59 VAL CA C 59 65.823 64.162 1.661 1 1 626 . 3 1 1 A 59 59 VAL CB C 59 31.151 31.341 -0.190 1 1 629 . 3 1 1 A 59 59 VAL N N 59 121.698 121.988 -0.290 1 1 630 . 3 1 1 A 60 60 GLY H H 60 9.172 8.727 0.445 1 1 631 . 3 1 1 A 60 60 GLY HA2 H 60 4.500 3.979 0.521 1 1 632 . 3 1 1 A 60 60 GLY HA3 H 60 3.469 3.984 -0.515 1 1 633 . 3 1 1 A 60 60 GLY C C 60 173.646 174.314 -0.668 1 1 634 . 3 1 1 A 60 60 GLY CA C 60 44.148 45.003 -0.855 1 1 635 . 3 1 1 A 60 60 GLY N N 60 117.734 115.223 2.511 1 1 636 . 3 1 1 A 61 61 ASP H H 61 7.877 7.913 -0.036 1 1 637 . 3 1 1 A 61 61 ASP HA H 61 4.551 4.678 -0.127 1 1 640 . 3 1 1 A 61 61 ASP C C 61 175.437 175.476 -0.039 1 1 641 . 3 1 1 A 61 61 ASP CA C 61 56.057 54.436 1.621 1 1 642 . 3 1 1 A 61 61 ASP CB C 61 40.660 41.210 -0.550 1 1 643 . 3 1 1 A 61 61 ASP N N 61 121.399 120.750 0.649 1 1 644 . 3 1 1 A 62 62 LEU H H 62 8.773 8.643 0.130 1 1 645 . 3 1 1 A 62 62 LEU HA H 62 4.713 4.653 0.060 1 1 655 . 3 1 1 A 62 62 LEU C C 62 176.560 176.305 0.255 1 1 656 . 3 1 1 A 62 62 LEU CA C 62 54.259 54.095 0.164 1 1 657 . 3 1 1 A 62 62 LEU CB C 62 42.022 42.611 -0.589 1 1 661 . 3 1 1 A 62 62 LEU N N 62 120.566 124.861 -4.295 1 1 662 . 3 1 1 A 63 63 VAL H H 63 8.121 8.331 -0.210 1 1 663 . 3 1 1 A 63 63 VAL HA H 63 4.113 4.077 0.036 1 1 671 . 3 1 1 A 63 63 VAL C C 63 175.468 175.431 0.037 1 1 672 . 3 1 1 A 63 63 VAL CA C 63 61.763 62.587 -0.824 1 1 673 . 3 1 1 A 63 63 VAL CB C 63 31.413 31.977 -0.564 1 1 676 . 3 1 1 A 63 63 VAL N N 63 121.172 124.340 -3.168 1 1 677 . 3 1 1 A 64 64 LEU H H 64 9.077 8.943 0.134 1 1 678 . 3 1 1 A 64 64 LEU HA H 64 4.113 4.119 -0.006 1 1 688 . 3 1 1 A 64 64 LEU C C 64 177.611 176.223 1.388 1 1 689 . 3 1 1 A 64 64 LEU CA C 64 56.614 55.474 1.140 1 1 690 . 3 1 1 A 64 64 LEU CB C 64 42.994 42.245 0.749 1 1 694 . 3 1 1 A 64 64 LEU N N 64 130.175 127.784 2.391 1 1 695 . 3 1 1 A 65 65 HIS H H 65 7.510 7.145 0.365 1 1 696 . 3 1 1 A 65 65 HIS HA H 65 5.297 5.136 0.161 1 1 701 . 3 1 1 A 65 65 HIS C C 65 174.833 173.617 1.216 1 1 702 . 3 1 1 A 65 65 HIS CA C 65 55.715 54.499 1.216 1 1 703 . 3 1 1 A 65 65 HIS CB C 65 35.813 34.844 0.969 1 1 706 . 3 1 1 A 65 65 HIS N N 65 115.096 114.238 0.858 1 1 707 . 3 1 1 A 66 66 ILE H H 66 8.675 8.661 0.014 1 1 708 . 3 1 1 A 66 66 ILE HA H 66 4.320 4.398 -0.078 1 1 718 . 3 1 1 A 66 66 ILE C C 66 175.571 175.910 -0.339 1 1 719 . 3 1 1 A 66 66 ILE CA C 66 60.510 60.361 0.149 1 1 720 . 3 1 1 A 66 66 ILE CB C 66 41.360 40.598 0.762 1 1 724 . 3 1 1 A 66 66 ILE N N 66 119.474 119.220 0.254 1 1 725 . 3 1 1 A 67 67 ASN H H 67 10.170 9.885 0.285 1 1 726 . 3 1 1 A 67 67 ASN HA H 67 4.595 4.646 -0.051 1 1 731 . 3 1 1 A 67 67 ASN C C 67 175.349 175.608 -0.259 1 1 732 . 3 1 1 A 67 67 ASN CA C 67 54.589 54.676 -0.087 1 1 733 . 3 1 1 A 67 67 ASN CB C 67 37.267 37.410 -0.143 1 1 734 . 3 1 1 A 67 67 ASN N N 67 129.216 127.862 1.354 1 1 736 . 3 1 1 A 68 68 GLY H H 68 9.396 8.780 0.616 1 1 737 . 3 1 1 A 68 68 GLY HA2 H 68 4.155 3.817 0.338 1 1 738 . 3 1 1 A 68 68 GLY HA3 H 68 3.585 3.833 -0.248 1 1 739 . 3 1 1 A 68 68 GLY C C 68 173.920 173.759 0.161 1 1 740 . 3 1 1 A 68 68 GLY CA C 68 45.267 45.530 -0.263 1 1 741 . 3 1 1 A 68 68 GLY N N 68 104.067 103.521 0.546 1 1 742 . 3 1 1 A 69 69 GLU H H 69 7.815 8.322 -0.507 1 1 743 . 3 1 1 A 69 69 GLU HA H 69 4.619 4.571 0.048 1 1 748 . 3 1 1 A 69 69 GLU C C 69 175.696 176.090 -0.394 1 1 749 . 3 1 1 A 69 69 GLU CA C 69 54.803 55.264 -0.461 1 1 750 . 3 1 1 A 69 69 GLU CB C 69 32.281 31.047 1.234 1 1 752 . 3 1 1 A 69 69 GLU N N 69 121.337 120.808 0.529 1 1 753 . 3 1 1 A 70 70 SER H H 70 8.867 8.999 -0.132 1 1 754 . 3 1 1 A 70 70 SER HA H 70 4.411 4.518 -0.107 1 1 757 . 3 1 1 A 70 70 SER C C 70 176.409 174.722 1.687 1 1 758 . 3 1 1 A 70 70 SER CA C 70 58.034 59.023 -0.989 1 1 759 . 3 1 1 A 70 70 SER CB C 70 63.432 63.011 0.421 1 1 760 . 3 1 1 A 70 70 SER N N 70 119.566 120.541 -0.975 1 1 761 . 3 1 1 A 71 71 THR H H 71 7.914 9.147 -1.233 1 1 762 . 3 1 1 A 71 71 THR HA H 71 4.162 4.403 -0.241 1 1 767 . 3 1 1 A 71 71 THR C C 71 175.433 175.099 0.334 1 1 768 . 3 1 1 A 71 71 THR CA C 71 60.921 63.416 -2.495 1 1 769 . 3 1 1 A 71 71 THR CB C 71 68.671 68.912 -0.241 1 1 771 . 3 1 1 A 71 71 THR N N 71 114.514 121.245 -6.731 1 1 772 . 3 1 1 A 72 72 GLN H H 72 8.131 8.089 0.042 1 1 773 . 3 1 1 A 72 72 GLN HA H 72 4.020 4.082 -0.062 1 1 780 . 3 1 1 A 72 72 GLN C C 72 176.950 177.148 -0.198 1 1 781 . 3 1 1 A 72 72 GLN CA C 72 58.361 59.485 -1.124 1 1 782 . 3 1 1 A 72 72 GLN CB C 72 28.079 28.684 -0.605 1 1 784 . 3 1 1 A 72 72 GLN N N 72 124.809 121.686 3.123 1 1 786 . 3 1 1 A 73 73 GLY H H 73 9.025 7.915 1.110 1 1 787 . 3 1 1 A 73 73 GLY HA2 H 73 4.092 4.100 -0.008 1 1 788 . 3 1 1 A 73 73 GLY HA3 H 73 3.754 4.101 -0.347 1 1 789 . 3 1 1 A 73 73 GLY C C 73 173.971 173.319 0.652 1 1 790 . 3 1 1 A 73 73 GLY CA C 73 45.373 45.525 -0.152 1 1 791 . 3 1 1 A 73 73 GLY N N 73 114.015 106.180 7.835 1 1 792 . 3 1 1 A 74 74 LEU H H 74 7.672 7.487 0.185 1 1 793 . 3 1 1 A 74 74 LEU HA H 74 4.768 4.683 0.085 1 1 803 . 3 1 1 A 74 74 LEU C C 74 179.964 177.022 2.942 1 1 804 . 3 1 1 A 74 74 LEU CA C 74 54.682 53.874 0.808 1 1 805 . 3 1 1 A 74 74 LEU CB C 74 42.355 43.260 -0.905 1 1 809 . 3 1 1 A 74 74 LEU N N 74 118.933 120.857 -1.924 1 1 810 . 3 1 1 A 75 75 THR H H 75 8.911 8.917 -0.006 1 1 811 . 3 1 1 A 75 75 THR HA H 75 4.799 4.646 0.153 1 1 816 . 3 1 1 A 75 75 THR C C 75 174.971 175.403 -0.432 1 1 817 . 3 1 1 A 75 75 THR CA C 75 60.571 60.862 -0.291 1 1 818 . 3 1 1 A 75 75 THR CB C 75 71.058 71.232 -0.174 1 1 820 . 3 1 1 A 75 75 THR N N 75 113.687 117.133 -3.446 1 1 821 . 3 1 1 A 76 76 HIS H H 76 9.474 9.138 0.336 1 1 822 . 3 1 1 A 76 76 HIS HA H 76 3.997 4.192 -0.195 1 1 826 . 3 1 1 A 76 76 HIS C C 76 176.917 176.929 -0.012 1 1 827 . 3 1 1 A 76 76 HIS CA C 76 61.208 59.308 1.900 1 1 828 . 3 1 1 A 76 76 HIS CB C 76 29.729 29.934 -0.205 1 1 830 . 3 1 1 A 76 76 HIS N N 76 122.022 121.895 0.127 1 1 831 . 3 1 1 A 77 77 ALA H H 77 8.457 7.754 0.703 1 1 832 . 3 1 1 A 77 77 ALA HA H 77 3.946 4.025 -0.079 1 1 836 . 3 1 1 A 77 77 ALA C C 77 181.502 179.359 2.143 1 1 837 . 3 1 1 A 77 77 ALA CA C 77 55.282 54.575 0.707 1 1 838 . 3 1 1 A 77 77 ALA CB C 77 18.162 18.852 -0.690 1 1 839 . 3 1 1 A 77 77 ALA N N 77 119.389 120.834 -1.445 1 1 840 . 3 1 1 A 78 78 GLN H H 78 7.991 7.571 0.420 1 1 841 . 3 1 1 A 78 78 GLN HA H 78 4.029 4.064 -0.035 1 1 848 . 3 1 1 A 78 78 GLN C C 78 179.215 178.678 0.537 1 1 849 . 3 1 1 A 78 78 GLN CA C 78 58.562 58.613 -0.051 1 1 850 . 3 1 1 A 78 78 GLN CB C 78 29.592 28.454 1.138 1 1 852 . 3 1 1 A 78 78 GLN N N 78 117.510 118.592 -1.082 1 1 854 . 3 1 1 A 79 79 ALA H H 79 8.367 8.306 0.061 1 1 855 . 3 1 1 A 79 79 ALA HA H 79 3.775 4.079 -0.304 1 1 859 . 3 1 1 A 79 79 ALA C C 79 178.754 180.253 -1.499 1 1 860 . 3 1 1 A 79 79 ALA CA C 79 55.828 54.832 0.996 1 1 861 . 3 1 1 A 79 79 ALA CB C 79 18.733 18.563 0.170 1 1 862 . 3 1 1 A 79 79 ALA N N 79 123.463 122.465 0.998 1 1 863 . 3 1 1 A 80 80 VAL H H 80 8.228 7.697 0.531 1 1 864 . 3 1 1 A 80 80 VAL HA H 80 3.510 3.620 -0.110 1 1 872 . 3 1 1 A 80 80 VAL C C 80 179.087 177.544 1.543 1 1 873 . 3 1 1 A 80 80 VAL CA C 80 66.912 66.603 0.309 1 1 874 . 3 1 1 A 80 80 VAL CB C 80 31.781 31.646 0.135 1 1 877 . 3 1 1 A 80 80 VAL N N 80 116.720 117.608 -0.888 1 1 878 . 3 1 1 A 81 81 GLU H H 81 7.834 8.136 -0.302 1 1 879 . 3 1 1 A 81 81 GLU HA H 81 4.195 4.016 0.179 1 1 884 . 3 1 1 A 81 81 GLU C C 81 178.847 178.817 0.030 1 1 885 . 3 1 1 A 81 81 GLU CA C 81 59.100 58.901 0.199 1 1 886 . 3 1 1 A 81 81 GLU CB C 81 28.818 29.186 -0.368 1 1 888 . 3 1 1 A 81 81 GLU N N 81 121.198 120.322 0.876 1 1 889 . 3 1 1 A 82 82 ARG H H 82 8.004 7.541 0.463 1 1 890 . 3 1 1 A 82 82 ARG HA H 82 4.021 4.124 -0.103 1 1 897 . 3 1 1 A 82 82 ARG C C 82 179.863 179.156 0.707 1 1 898 . 3 1 1 A 82 82 ARG CA C 82 58.487 58.638 -0.151 1 1 899 . 3 1 1 A 82 82 ARG CB C 82 29.026 29.984 -0.958 1 1 902 . 3 1 1 A 82 82 ARG N N 82 119.267 119.021 0.246 1 1 903 . 3 1 1 A 83 83 ILE H H 83 7.875 8.189 -0.314 1 1 904 . 3 1 1 A 83 83 ILE HA H 83 3.467 3.683 -0.216 1 1 914 . 3 1 1 A 83 83 ILE C C 83 179.211 177.971 1.240 1 1 915 . 3 1 1 A 83 83 ILE CA C 83 65.491 65.084 0.407 1 1 916 . 3 1 1 A 83 83 ILE CB C 83 38.055 37.388 0.667 1 1 920 . 3 1 1 A 83 83 ILE N N 83 120.039 121.154 -1.115 1 1 921 . 3 1 1 A 84 84 ARG H H 84 8.207 8.275 -0.068 1 1 922 . 3 1 1 A 84 84 ARG HA H 84 4.125 4.139 -0.014 1 1 929 . 3 1 1 A 84 84 ARG C C 84 179.062 177.354 1.708 1 1 930 . 3 1 1 A 84 84 ARG CA C 84 59.643 58.667 0.976 1 1 931 . 3 1 1 A 84 84 ARG CB C 84 30.197 30.234 -0.037 1 1 934 . 3 1 1 A 84 84 ARG N N 84 121.315 120.454 0.861 1 1 935 . 3 1 1 A 85 85 ALA H H 85 8.366 7.681 0.685 1 1 936 . 3 1 1 A 85 85 ALA HA H 85 4.241 4.258 -0.017 1 1 940 . 3 1 1 A 85 85 ALA C C 85 179.042 178.918 0.124 1 1 941 . 3 1 1 A 85 85 ALA CA C 85 53.695 52.806 0.889 1 1 942 . 3 1 1 A 85 85 ALA CB C 85 18.806 19.012 -0.206 1 1 943 . 3 1 1 A 85 85 ALA N N 85 120.166 121.216 -1.050 1 1 944 . 3 1 1 A 86 86 GLY H H 86 7.470 8.262 -0.792 1 1 945 . 3 1 1 A 86 86 GLY HA2 H 86 4.134 3.904 0.230 1 1 946 . 3 1 1 A 86 86 GLY HA3 H 86 4.134 3.908 0.226 1 1 947 . 3 1 1 A 86 86 GLY C C 86 174.699 174.605 0.094 1 1 948 . 3 1 1 A 86 86 GLY CA C 86 45.902 46.221 -0.319 1 1 949 . 3 1 1 A 86 86 GLY N N 86 104.067 107.290 -3.223 1 1 950 . 3 1 1 A 87 87 GLY H H 87 7.688 7.923 -0.235 1 1 951 . 3 1 1 A 87 87 GLY HA2 H 87 4.528 4.081 0.447 1 1 952 . 3 1 1 A 87 87 GLY HA3 H 87 3.835 4.081 -0.246 1 1 953 . 3 1 1 A 87 87 GLY C C 87 173.611 173.971 -0.360 1 1 954 . 3 1 1 A 87 87 GLY CA C 87 44.677 44.603 0.074 1 1 955 . 3 1 1 A 87 87 GLY N N 87 107.458 106.235 1.223 1 1 956 . 3 1 1 A 88 88 PRO HA H 88 4.306 4.513 -0.207 1 1 963 . 3 1 1 A 88 88 PRO C C 88 175.247 176.475 -1.228 1 1 964 . 3 1 1 A 88 88 PRO CA C 88 64.596 64.194 0.402 1 1 965 . 3 1 1 A 88 88 PRO CB C 88 32.405 32.064 0.341 1 1 968 . 3 1 1 A 89 89 GLN H H 89 7.606 8.073 -0.467 1 1 969 . 3 1 1 A 89 89 GLN HA H 89 5.343 4.924 0.419 1 1 976 . 3 1 1 A 89 89 GLN C C 89 173.750 174.419 -0.669 1 1 977 . 3 1 1 A 89 89 GLN CA C 89 54.626 54.957 -0.331 1 1 978 . 3 1 1 A 89 89 GLN CB C 89 31.870 31.679 0.191 1 1 980 . 3 1 1 A 89 89 GLN N N 89 116.964 118.750 -1.786 1 1 982 . 3 1 1 A 90 90 LEU H H 90 8.610 8.610 0.000 1 1 983 . 3 1 1 A 90 90 LEU HA H 90 4.757 4.936 -0.179 1 1 993 . 3 1 1 A 90 90 LEU C C 90 173.607 175.338 -1.731 1 1 994 . 3 1 1 A 90 90 LEU CA C 90 53.730 53.534 0.196 1 1 995 . 3 1 1 A 90 90 LEU CB C 90 45.549 44.528 1.021 1 1 999 . 3 1 1 A 90 90 LEU N N 90 124.460 126.759 -2.299 1 1 1000 . 3 1 1 A 91 91 HIS H H 91 8.826 8.884 -0.058 1 1 1001 . 3 1 1 A 91 91 HIS HA H 91 5.207 5.335 -0.128 1 1 1006 . 3 1 1 A 91 91 HIS C C 91 174.745 173.246 1.499 1 1 1007 . 3 1 1 A 91 91 HIS CA C 91 55.093 55.068 0.025 1 1 1008 . 3 1 1 A 91 91 HIS CB C 91 32.686 32.921 -0.235 1 1 1011 . 3 1 1 A 91 91 HIS N N 91 126.871 125.532 1.339 1 1 1012 . 3 1 1 A 92 92 LEU H H 92 9.024 8.421 0.603 1 1 1013 . 3 1 1 A 92 92 LEU HA H 92 5.203 4.940 0.263 1 1 1023 . 3 1 1 A 92 92 LEU C C 92 175.889 175.225 0.664 1 1 1024 . 3 1 1 A 92 92 LEU CA C 92 52.955 53.031 -0.076 1 1 1025 . 3 1 1 A 92 92 LEU CB C 92 46.233 45.286 0.947 1 1 1029 . 3 1 1 A 92 92 LEU N N 92 125.837 128.886 -3.049 1 1 1030 . 3 1 1 A 93 93 VAL H H 93 7.739 8.865 -1.126 1 1 1031 . 3 1 1 A 93 93 VAL HA H 93 4.568 4.833 -0.265 1 1 1039 . 3 1 1 A 93 93 VAL C C 93 174.538 174.968 -0.430 1 1 1040 . 3 1 1 A 93 93 VAL CA C 93 62.666 61.415 1.251 1 1 1041 . 3 1 1 A 93 93 VAL CB C 93 32.838 32.654 0.184 1 1 1044 . 3 1 1 A 93 93 VAL N N 93 120.566 123.431 -2.865 1 1 1045 . 3 1 1 A 94 94 ILE H H 94 8.965 8.368 0.597 1 1 1046 . 3 1 1 A 94 94 ILE HA H 94 5.152 4.858 0.294 1 1 1056 . 3 1 1 A 94 94 ILE C C 94 174.723 173.976 0.747 1 1 1057 . 3 1 1 A 94 94 ILE CA C 94 56.360 59.188 -2.828 1 1 1058 . 3 1 1 A 94 94 ILE CB C 94 39.214 40.504 -1.290 1 1 1062 . 3 1 1 A 94 94 ILE N N 94 128.952 127.902 1.050 1 1 1063 . 3 1 1 A 95 95 ARG H H 95 8.286 8.649 -0.363 1 1 1064 . 3 1 1 A 95 95 ARG HA H 95 4.715 4.820 -0.105 1 1 1071 . 3 1 1 A 95 95 ARG C C 95 173.665 174.905 -1.240 1 1 1072 . 3 1 1 A 95 95 ARG CA C 95 54.982 54.291 0.691 1 1 1073 . 3 1 1 A 95 95 ARG CB C 95 34.833 33.709 1.124 1 1 1076 . 3 1 1 A 95 95 ARG N N 95 120.920 125.772 -4.852 1 1 1077 . 3 1 1 A 96 96 ARG H H 96 9.238 8.640 0.598 1 1 1078 . 3 1 1 A 96 96 ARG HA H 96 4.984 4.522 0.462 1 1 1086 . 3 1 1 A 96 96 ARG C C 96 174.582 175.288 -0.706 1 1 1087 . 3 1 1 A 96 96 ARG CA C 96 53.219 54.072 -0.853 1 1 1088 . 3 1 1 A 96 96 ARG CB C 96 31.369 30.910 0.459 1 1 1091 . 3 1 1 A 96 96 ARG N N 96 129.955 128.642 1.313 1 1 1093 . 3 1 1 A 97 97 PRO HA H 97 4.424 4.615 -0.191 1 1 1100 . 3 1 1 A 97 97 PRO C C 97 176.289 176.219 0.070 1 1 1101 . 3 1 1 A 97 97 PRO CA C 97 63.322 62.197 1.125 1 1 1102 . 3 1 1 A 97 97 PRO CB C 97 32.240 33.090 -0.850 1 1 1105 . 3 1 1 A 98 98 LEU H H 98 8.325 8.404 -0.079 1 1 1106 . 3 1 1 A 98 98 LEU HA H 98 4.399 4.390 0.009 1 1 1116 . 3 1 1 A 98 98 LEU C C 98 177.395 176.875 0.520 1 1 1117 . 3 1 1 A 98 98 LEU CA C 98 55.165 54.425 0.740 1 1 1118 . 3 1 1 A 98 98 LEU CB C 98 42.419 42.184 0.235 1 1 1122 . 3 1 1 A 98 98 LEU N N 98 122.396 122.616 -0.220 1 1 1123 . 3 1 1 A 99 99 SER H H 99 8.333 8.658 -0.325 1 1 1124 . 3 1 1 A 99 99 SER HA H 99 4.483 4.300 0.183 1 1 1127 . 3 1 1 A 99 99 SER C C 99 174.489 175.187 -0.698 1 1 1128 . 3 1 1 A 99 99 SER CA C 99 58.138 59.611 -1.473 1 1 1129 . 3 1 1 A 99 99 SER CB C 99 63.846 63.290 0.556 1 1 1130 . 3 1 1 A 99 99 SER N N 99 116.892 119.909 -3.017 1 1 1131 . 3 1 1 A 100 100 GLY H H 100 8.253 8.632 -0.379 1 1 1132 . 3 1 1 A 100 100 GLY HA2 H 100 4.177 4.198 -0.021 1 1 1133 . 3 1 1 A 100 100 GLY HA3 H 100 4.101 4.198 -0.097 1 1 1134 . 3 1 1 A 100 100 GLY C C 100 171.838 174.739 -2.901 1 1 1135 . 3 1 1 A 100 100 GLY CA C 100 44.679 45.484 -0.805 1 1 1136 . 3 1 1 A 100 100 GLY N N 100 110.703 114.229 -3.526 1 1 1137 . 3 1 1 A 101 101 PRO HA H 101 4.480 4.578 -0.098 1 1 1144 . 3 1 1 A 101 101 PRO C C 101 177.411 176.372 1.039 1 1 1145 . 3 1 1 A 101 101 PRO CA C 101 63.312 63.776 -0.464 1 1 1146 . 3 1 1 A 101 101 PRO CB C 101 32.158 31.715 0.443 1 1 1149 . 3 1 1 A 102 102 SER H H 102 8.517 7.768 0.749 1 1 1150 . 3 1 1 A 102 102 SER C C 102 174.655 174.153 0.502 1 1 1151 . 3 1 1 A 102 102 SER CA C 102 58.438 60.691 -2.253 1 1 1152 . 3 1 1 A 102 102 SER CB C 102 63.970 63.757 0.213 1 1 1 . 4 1 1 A 2 2 SER HA H 2 4.493 4.687 -0.194 1 1 4 . 4 1 1 A 2 2 SER C C 2 174.671 173.931 0.740 1 1 5 . 4 1 1 A 2 2 SER CA C 2 58.438 57.780 0.658 1 1 6 . 4 1 1 A 2 2 SER CB C 2 63.558 64.002 -0.444 1 1 7 . 4 1 1 A 3 3 SER H H 3 8.324 8.502 -0.178 1 1 8 . 4 1 1 A 3 3 SER HA H 3 4.493 4.133 0.360 1 1 11 . 4 1 1 A 3 3 SER C C 3 173.918 174.691 -0.773 1 1 12 . 4 1 1 A 3 3 SER CA C 3 58.455 60.347 -1.892 1 1 13 . 4 1 1 A 3 3 SER CB C 3 63.929 62.998 0.931 1 1 14 . 4 1 1 A 3 3 SER N N 3 117.862 119.636 -1.774 1 1 15 . 4 1 1 A 4 4 GLY H H 4 8.045 8.499 -0.454 1 1 16 . 4 1 1 A 4 4 GLY C C 4 179.001 173.427 5.574 1 1 17 . 4 1 1 A 4 4 GLY CA C 4 46.201 45.635 0.566 1 1 18 . 4 1 1 A 4 4 GLY N N 4 116.862 112.648 4.214 1 1 19 . 4 1 1 A 6 6 SER HA H 6 4.461 4.086 0.375 1 1 22 . 4 1 1 A 6 6 SER C C 6 175.170 174.568 0.602 1 1 23 . 4 1 1 A 6 6 SER CA C 6 58.755 59.963 -1.208 1 1 24 . 4 1 1 A 6 6 SER CB C 6 63.862 64.110 -0.248 1 1 25 . 4 1 1 A 7 7 GLY H H 7 8.432 7.985 0.447 1 1 26 . 4 1 1 A 7 7 GLY HA2 H 7 3.966 4.043 -0.077 1 1 27 . 4 1 1 A 7 7 GLY C C 7 174.309 173.772 0.537 1 1 28 . 4 1 1 A 7 7 GLY CA C 7 45.408 45.405 0.003 1 1 29 . 4 1 1 A 7 7 GLY N N 7 110.678 108.600 2.078 1 1 30 . 4 1 1 A 8 8 GLN H H 8 8.210 8.306 -0.096 1 1 31 . 4 1 1 A 8 8 GLN HA H 8 4.324 4.279 0.045 1 1 38 . 4 1 1 A 8 8 GLN C C 8 176.037 175.436 0.601 1 1 39 . 4 1 1 A 8 8 GLN CA C 8 55.970 56.668 -0.698 1 1 40 . 4 1 1 A 8 8 GLN CB C 8 29.562 29.423 0.139 1 1 42 . 4 1 1 A 8 8 GLN N N 8 119.977 124.910 -4.933 1 1 44 . 4 1 1 A 9 9 ALA H H 9 8.394 8.400 -0.006 1 1 45 . 4 1 1 A 9 9 ALA HA H 9 4.319 4.667 -0.348 1 1 49 . 4 1 1 A 9 9 ALA C C 9 177.635 177.263 0.372 1 1 50 . 4 1 1 A 9 9 ALA CA C 9 52.531 52.178 0.353 1 1 51 . 4 1 1 A 9 9 ALA CB C 9 19.136 19.811 -0.675 1 1 52 . 4 1 1 A 9 9 ALA N N 9 125.301 130.165 -4.864 1 1 53 . 4 1 1 A 10 10 SER H H 10 8.259 9.045 -0.786 1 1 54 . 4 1 1 A 10 10 SER HA H 10 4.440 4.900 -0.460 1 1 57 . 4 1 1 A 10 10 SER C C 10 175.138 174.775 0.363 1 1 58 . 4 1 1 A 10 10 SER CA C 10 58.649 57.505 1.144 1 1 59 . 4 1 1 A 10 10 SER CB C 10 63.888 67.065 -3.177 1 1 60 . 4 1 1 A 10 10 SER N N 10 114.874 117.461 -2.587 1 1 61 . 4 1 1 A 11 11 GLY H H 11 8.493 8.949 -0.456 1 1 62 . 4 1 1 A 11 11 GLY HA2 H 11 4.039 3.697 0.342 1 1 63 . 4 1 1 A 11 11 GLY HA3 H 11 4.039 3.804 0.235 1 1 64 . 4 1 1 A 11 11 GLY C C 11 173.678 175.635 -1.957 1 1 65 . 4 1 1 A 11 11 GLY CA C 11 45.531 47.374 -1.843 1 1 66 . 4 1 1 A 11 11 GLY N N 11 110.301 111.085 -0.784 1 1 67 . 4 1 1 A 12 12 HIS H H 12 7.970 7.238 0.732 1 1 68 . 4 1 1 A 12 12 HIS HA H 12 5.442 4.341 1.101 1 1 73 . 4 1 1 A 12 12 HIS C C 12 175.304 174.624 0.680 1 1 74 . 4 1 1 A 12 12 HIS CA C 12 55.095 57.158 -2.063 1 1 75 . 4 1 1 A 12 12 HIS CB C 12 31.849 30.412 1.437 1 1 78 . 4 1 1 A 12 12 HIS N N 12 119.432 119.312 0.120 1 1 79 . 4 1 1 A 13 13 PHE H H 13 8.940 8.805 0.135 1 1 80 . 4 1 1 A 13 13 PHE HA H 13 5.072 5.456 -0.384 1 1 88 . 4 1 1 A 13 13 PHE C C 13 172.688 173.051 -0.363 1 1 89 . 4 1 1 A 13 13 PHE CA C 13 56.269 55.373 0.896 1 1 90 . 4 1 1 A 13 13 PHE CB C 13 40.835 41.618 -0.783 1 1 96 . 4 1 1 A 13 13 PHE N N 13 118.413 121.615 -3.202 1 1 97 . 4 1 1 A 14 14 SER H H 14 8.709 9.079 -0.370 1 1 98 . 4 1 1 A 14 14 SER HA H 14 5.580 5.200 0.380 1 1 101 . 4 1 1 A 14 14 SER C C 14 174.119 174.070 0.049 1 1 102 . 4 1 1 A 14 14 SER CA C 14 56.974 55.436 1.538 1 1 103 . 4 1 1 A 14 14 SER CB C 14 65.778 66.201 -0.423 1 1 104 . 4 1 1 A 14 14 SER N N 14 115.082 113.913 1.169 1 1 105 . 4 1 1 A 15 15 VAL H H 15 8.801 8.134 0.667 1 1 106 . 4 1 1 A 15 15 VAL HA H 15 4.373 4.853 -0.480 1 1 114 . 4 1 1 A 15 15 VAL C C 15 173.002 174.193 -1.191 1 1 115 . 4 1 1 A 15 15 VAL CA C 15 61.312 61.213 0.099 1 1 116 . 4 1 1 A 15 15 VAL CB C 15 36.461 34.334 2.127 1 1 119 . 4 1 1 A 15 15 VAL N N 15 121.148 121.559 -0.411 1 1 120 . 4 1 1 A 16 16 GLU H H 16 8.383 9.069 -0.686 1 1 121 . 4 1 1 A 16 16 GLU HA H 16 5.299 5.363 -0.064 1 1 126 . 4 1 1 A 16 16 GLU C C 16 175.408 175.293 0.115 1 1 127 . 4 1 1 A 16 16 GLU CA C 16 54.594 54.745 -0.151 1 1 128 . 4 1 1 A 16 16 GLU CB C 16 31.993 33.234 -1.241 1 1 130 . 4 1 1 A 16 16 GLU N N 16 125.925 128.446 -2.521 1 1 131 . 4 1 1 A 17 17 LEU H H 17 9.172 9.025 0.147 1 1 132 . 4 1 1 A 17 17 LEU HA H 17 5.000 5.032 -0.032 1 1 142 . 4 1 1 A 17 17 LEU C C 17 175.596 176.242 -0.646 1 1 143 . 4 1 1 A 17 17 LEU CA C 17 52.919 53.558 -0.639 1 1 144 . 4 1 1 A 17 17 LEU CB C 17 47.317 46.939 0.378 1 1 148 . 4 1 1 A 17 17 LEU N N 17 122.761 127.107 -4.346 1 1 149 . 4 1 1 A 18 18 VAL H H 18 8.546 8.643 -0.097 1 1 150 . 4 1 1 A 18 18 VAL HA H 18 4.831 4.885 -0.054 1 1 158 . 4 1 1 A 18 18 VAL C C 18 175.783 175.820 -0.037 1 1 159 . 4 1 1 A 18 18 VAL CA C 18 61.277 60.982 0.295 1 1 160 . 4 1 1 A 18 18 VAL CB C 18 33.600 34.976 -1.376 1 1 163 . 4 1 1 A 18 18 VAL N N 18 122.523 121.278 1.245 1 1 164 . 4 1 1 A 19 19 ARG H H 19 8.495 8.136 0.359 1 1 165 . 4 1 1 A 19 19 ARG HA H 19 2.868 2.919 -0.051 1 1 172 . 4 1 1 A 19 19 ARG C C 19 176.248 174.985 1.263 1 1 173 . 4 1 1 A 19 19 ARG CA C 19 58.138 57.129 1.009 1 1 174 . 4 1 1 A 19 19 ARG CB C 19 30.839 30.500 0.339 1 1 177 . 4 1 1 A 19 19 ARG N N 19 127.015 128.229 -1.214 1 1 178 . 4 1 1 A 20 20 GLY H H 20 7.244 8.321 -1.077 1 1 179 . 4 1 1 A 20 20 GLY HA2 H 20 4.504 4.287 0.217 1 1 180 . 4 1 1 A 20 20 GLY HA3 H 20 3.750 4.326 -0.576 1 1 181 . 4 1 1 A 20 20 GLY C C 20 175.286 173.835 1.451 1 1 182 . 4 1 1 A 20 20 GLY CA C 20 44.131 44.896 -0.765 1 1 183 . 4 1 1 A 20 20 GLY N N 20 112.266 112.332 -0.066 1 1 184 . 4 1 1 A 21 21 TYR HA H 21 4.219 4.096 0.123 1 1 191 . 4 1 1 A 21 21 TYR C C 21 176.309 174.791 1.518 1 1 192 . 4 1 1 A 21 21 TYR CA C 21 60.518 58.900 1.618 1 1 193 . 4 1 1 A 21 21 TYR CB C 21 37.826 37.128 0.698 1 1 198 . 4 1 1 A 22 22 ALA H H 22 8.272 8.381 -0.109 1 1 199 . 4 1 1 A 22 22 ALA HA H 22 4.404 4.030 0.374 1 1 203 . 4 1 1 A 22 22 ALA C C 22 177.312 176.746 0.566 1 1 204 . 4 1 1 A 22 22 ALA CA C 22 50.816 53.250 -2.434 1 1 205 . 4 1 1 A 22 22 ALA CB C 22 18.455 18.165 0.290 1 1 206 . 4 1 1 A 22 22 ALA N N 22 121.539 117.570 3.969 1 1 207 . 4 1 1 A 23 23 GLY H H 23 7.495 8.177 -0.682 1 1 208 . 4 1 1 A 23 23 GLY HA2 H 23 4.541 4.060 0.481 1 1 209 . 4 1 1 A 23 23 GLY HA3 H 23 3.238 4.154 -0.916 1 1 210 . 4 1 1 A 23 23 GLY C C 23 175.043 175.196 -0.153 1 1 211 . 4 1 1 A 23 23 GLY CA C 23 44.897 44.691 0.206 1 1 212 . 4 1 1 A 23 23 GLY N N 23 106.744 103.299 3.445 1 1 213 . 4 1 1 A 24 24 PHE H H 24 7.242 8.852 -1.610 1 1 214 . 4 1 1 A 24 24 PHE HA H 24 4.369 4.236 0.133 1 1 222 . 4 1 1 A 24 24 PHE C C 24 175.902 176.498 -0.596 1 1 223 . 4 1 1 A 24 24 PHE CA C 24 60.347 60.236 0.111 1 1 224 . 4 1 1 A 24 24 PHE CB C 24 39.575 39.035 0.540 1 1 230 . 4 1 1 A 25 25 GLY H H 25 8.820 8.521 0.299 1 1 231 . 4 1 1 A 25 25 GLY HA2 H 25 4.134 3.978 0.156 1 1 232 . 4 1 1 A 25 25 GLY HA3 H 25 3.913 3.984 -0.071 1 1 233 . 4 1 1 A 25 25 GLY C C 25 174.585 174.261 0.324 1 1 234 . 4 1 1 A 25 25 GLY CA C 25 47.030 46.480 0.550 1 1 235 . 4 1 1 A 25 25 GLY N N 25 107.899 108.447 -0.548 1 1 236 . 4 1 1 A 26 26 LEU H H 26 7.991 7.805 0.186 1 1 237 . 4 1 1 A 26 26 LEU HA H 26 4.990 4.802 0.188 1 1 247 . 4 1 1 A 26 26 LEU C C 26 174.135 175.008 -0.873 1 1 248 . 4 1 1 A 26 26 LEU CA C 26 53.906 53.632 0.274 1 1 249 . 4 1 1 A 26 26 LEU CB C 26 45.939 44.637 1.302 1 1 253 . 4 1 1 A 26 26 LEU N N 26 122.133 122.561 -0.428 1 1 254 . 4 1 1 A 27 27 THR H H 27 8.657 8.705 -0.048 1 1 255 . 4 1 1 A 27 27 THR HA H 27 4.662 5.178 -0.516 1 1 260 . 4 1 1 A 27 27 THR C C 27 174.074 173.592 0.482 1 1 261 . 4 1 1 A 27 27 THR CA C 27 61.382 61.152 0.230 1 1 262 . 4 1 1 A 27 27 THR CB C 27 70.010 73.274 -3.264 1 1 264 . 4 1 1 A 27 27 THR N N 27 121.262 122.023 -0.761 1 1 265 . 4 1 1 A 28 28 LEU H H 28 9.692 9.273 0.419 1 1 266 . 4 1 1 A 28 28 LEU HA H 28 5.297 4.946 0.351 1 1 276 . 4 1 1 A 28 28 LEU C C 28 175.414 175.719 -0.305 1 1 277 . 4 1 1 A 28 28 LEU CA C 28 53.219 53.129 0.090 1 1 278 . 4 1 1 A 28 28 LEU CB C 28 45.049 44.205 0.844 1 1 282 . 4 1 1 A 28 28 LEU N N 28 128.374 124.231 4.143 1 1 283 . 4 1 1 A 29 29 GLY H H 29 8.818 9.027 -0.209 1 1 284 . 4 1 1 A 29 29 GLY HA2 H 29 4.089 4.080 0.009 1 1 285 . 4 1 1 A 29 29 GLY HA3 H 29 3.664 4.089 -0.425 1 1 286 . 4 1 1 A 29 29 GLY C C 29 171.700 174.836 -3.136 1 1 287 . 4 1 1 A 29 29 GLY CA C 29 44.086 45.627 -1.541 1 1 288 . 4 1 1 A 29 29 GLY N N 29 106.574 112.275 -5.701 1 1 289 . 4 1 1 A 30 30 GLY H H 30 8.339 8.321 0.018 1 1 290 . 4 1 1 A 30 30 GLY HA2 H 30 4.434 4.056 0.378 1 1 291 . 4 1 1 A 30 30 GLY HA3 H 30 3.554 4.068 -0.514 1 1 292 . 4 1 1 A 30 30 GLY C C 30 174.290 173.701 0.589 1 1 293 . 4 1 1 A 30 30 GLY CA C 30 44.879 44.640 0.239 1 1 294 . 4 1 1 A 30 30 GLY N N 30 107.245 112.884 -5.639 1 1 295 . 4 1 1 A 31 31 GLY H H 31 7.292 8.805 -1.513 1 1 296 . 4 1 1 A 31 31 GLY HA2 H 31 4.439 4.159 0.280 1 1 297 . 4 1 1 A 31 31 GLY HA3 H 31 4.000 4.191 -0.191 1 1 298 . 4 1 1 A 31 31 GLY C C 31 174.513 173.431 1.082 1 1 299 . 4 1 1 A 31 31 GLY CA C 31 43.589 44.434 -0.845 1 1 300 . 4 1 1 A 31 31 GLY N N 31 107.984 108.481 -0.497 1 1 301 . 4 1 1 A 32 32 ARG H H 32 8.065 8.368 -0.303 1 1 302 . 4 1 1 A 32 32 ARG HA H 32 4.380 4.417 -0.037 1 1 309 . 4 1 1 A 32 32 ARG C C 32 176.139 175.211 0.928 1 1 310 . 4 1 1 A 32 32 ARG CA C 32 57.354 56.278 1.076 1 1 311 . 4 1 1 A 32 32 ARG CB C 32 30.080 30.933 -0.853 1 1 314 . 4 1 1 A 32 32 ARG N N 32 121.733 121.240 0.493 1 1 315 . 4 1 1 A 33 33 ASP H H 33 8.916 8.650 0.266 1 1 316 . 4 1 1 A 33 33 ASP HA H 33 4.799 5.021 -0.222 1 1 319 . 4 1 1 A 33 33 ASP C C 33 176.381 176.382 -0.001 1 1 320 . 4 1 1 A 33 33 ASP CA C 33 53.783 52.939 0.844 1 1 321 . 4 1 1 A 33 33 ASP CB C 33 43.712 43.650 0.062 1 1 322 . 4 1 1 A 33 33 ASP N N 33 126.313 127.129 -0.816 1 1 323 . 4 1 1 A 34 34 VAL H H 34 8.372 8.653 -0.281 1 1 324 . 4 1 1 A 34 34 VAL HA H 34 3.943 3.942 0.001 1 1 329 . 4 1 1 A 34 34 VAL C C 34 176.591 176.843 -0.252 1 1 330 . 4 1 1 A 34 34 VAL CA C 34 64.644 64.714 -0.070 1 1 331 . 4 1 1 A 34 34 VAL CB C 34 31.796 31.967 -0.171 1 1 333 . 4 1 1 A 34 34 VAL N N 34 121.465 124.710 -3.245 1 1 334 . 4 1 1 A 35 35 ALA H H 35 8.577 7.702 0.875 1 1 335 . 4 1 1 A 35 35 ALA HA H 35 4.386 4.357 0.029 1 1 339 . 4 1 1 A 35 35 ALA C C 35 177.532 176.645 0.887 1 1 340 . 4 1 1 A 35 35 ALA CA C 35 52.589 51.692 0.897 1 1 341 . 4 1 1 A 35 35 ALA CB C 35 19.095 18.965 0.130 1 1 342 . 4 1 1 A 35 35 ALA N N 35 123.222 121.790 1.432 1 1 343 . 4 1 1 A 36 36 GLY H H 36 7.816 7.214 0.602 1 1 344 . 4 1 1 A 36 36 GLY HA2 H 36 4.274 4.025 0.249 1 1 345 . 4 1 1 A 36 36 GLY HA3 H 36 3.723 4.026 -0.303 1 1 346 . 4 1 1 A 36 36 GLY C C 36 172.610 172.184 0.426 1 1 347 . 4 1 1 A 36 36 GLY CA C 36 45.161 44.710 0.451 1 1 348 . 4 1 1 A 36 36 GLY N N 36 107.925 106.624 1.301 1 1 349 . 4 1 1 A 37 37 ASP H H 37 8.604 8.799 -0.195 1 1 350 . 4 1 1 A 37 37 ASP HA H 37 4.810 5.556 -0.746 1 1 353 . 4 1 1 A 37 37 ASP C C 37 176.081 175.021 1.060 1 1 354 . 4 1 1 A 37 37 ASP CA C 37 54.700 52.802 1.898 1 1 355 . 4 1 1 A 37 37 ASP CB C 37 41.076 42.276 -1.200 1 1 356 . 4 1 1 A 37 37 ASP N N 37 124.969 119.733 5.236 1 1 357 . 4 1 1 A 38 38 THR H H 38 7.679 8.578 -0.899 1 1 358 . 4 1 1 A 38 38 THR HA H 38 4.704 5.026 -0.322 1 1 363 . 4 1 1 A 38 38 THR C C 38 172.712 171.958 0.754 1 1 364 . 4 1 1 A 38 38 THR CA C 38 59.810 58.323 1.487 1 1 365 . 4 1 1 A 38 38 THR CB C 38 70.420 70.025 0.395 1 1 367 . 4 1 1 A 38 38 THR N N 38 116.498 114.776 1.722 1 1 368 . 4 1 1 A 39 39 PRO HA H 39 4.305 4.681 -0.376 1 1 375 . 4 1 1 A 39 39 PRO C C 39 176.355 176.989 -0.634 1 1 376 . 4 1 1 A 39 39 PRO CA C 39 63.304 62.686 0.618 1 1 377 . 4 1 1 A 39 39 PRO CB C 39 32.703 31.669 1.034 1 1 380 . 4 1 1 A 40 40 LEU H H 40 8.247 8.188 0.059 1 1 381 . 4 1 1 A 40 40 LEU HA H 40 4.704 4.320 0.384 1 1 391 . 4 1 1 A 40 40 LEU C C 40 176.631 177.390 -0.759 1 1 392 . 4 1 1 A 40 40 LEU CA C 40 55.352 55.395 -0.043 1 1 393 . 4 1 1 A 40 40 LEU CB C 40 42.524 42.586 -0.062 1 1 397 . 4 1 1 A 40 40 LEU N N 40 125.558 124.080 1.478 1 1 398 . 4 1 1 A 41 41 ALA H H 41 8.856 8.705 0.151 1 1 399 . 4 1 1 A 41 41 ALA HA H 41 5.465 5.134 0.331 1 1 403 . 4 1 1 A 41 41 ALA C C 41 176.658 176.169 0.489 1 1 404 . 4 1 1 A 41 41 ALA CA C 41 50.503 51.428 -0.925 1 1 405 . 4 1 1 A 41 41 ALA CB C 41 24.074 22.866 1.208 1 1 406 . 4 1 1 A 41 41 ALA N N 41 128.426 125.607 2.819 1 1 407 . 4 1 1 A 42 42 VAL H H 42 9.160 8.820 0.340 1 1 408 . 4 1 1 A 42 42 VAL HA H 42 3.803 4.260 -0.457 1 1 416 . 4 1 1 A 42 42 VAL C C 42 176.499 175.722 0.777 1 1 417 . 4 1 1 A 42 42 VAL CA C 42 64.196 63.709 0.487 1 1 418 . 4 1 1 A 42 42 VAL CB C 42 31.773 31.988 -0.215 1 1 421 . 4 1 1 A 42 42 VAL N N 42 119.342 122.939 -3.597 1 1 422 . 4 1 1 A 43 43 ARG H H 43 9.385 9.154 0.231 1 1 423 . 4 1 1 A 43 43 ARG HA H 43 4.527 4.442 0.085 1 1 430 . 4 1 1 A 43 43 ARG C C 43 175.332 175.892 -0.560 1 1 431 . 4 1 1 A 43 43 ARG CA C 43 55.340 57.072 -1.732 1 1 432 . 4 1 1 A 43 43 ARG CB C 43 32.242 31.941 0.301 1 1 435 . 4 1 1 A 43 43 ARG N N 43 131.043 128.475 2.568 1 1 436 . 4 1 1 A 44 44 GLY H H 44 7.872 7.866 0.006 1 1 437 . 4 1 1 A 44 44 GLY HA2 H 44 4.155 4.175 -0.020 1 1 438 . 4 1 1 A 44 44 GLY HA3 H 44 3.765 4.176 -0.411 1 1 439 . 4 1 1 A 44 44 GLY C C 44 170.284 171.800 -1.516 1 1 440 . 4 1 1 A 44 44 GLY CA C 44 45.602 43.980 1.622 1 1 441 . 4 1 1 A 44 44 GLY N N 44 107.517 107.617 -0.100 1 1 442 . 4 1 1 A 45 45 LEU H H 45 8.455 9.536 -1.081 1 1 443 . 4 1 1 A 45 45 LEU HA H 45 4.915 4.867 0.048 1 1 453 . 4 1 1 A 45 45 LEU C C 45 175.215 176.783 -1.568 1 1 454 . 4 1 1 A 45 45 LEU CA C 45 52.795 53.950 -1.155 1 1 455 . 4 1 1 A 45 45 LEU CB C 45 44.824 43.281 1.543 1 1 459 . 4 1 1 A 45 45 LEU N N 45 121.812 123.298 -1.486 1 1 460 . 4 1 1 A 46 46 LEU H H 46 7.582 8.620 -1.038 1 1 461 . 4 1 1 A 46 46 LEU HA H 46 4.208 4.243 -0.035 1 1 471 . 4 1 1 A 46 46 LEU C C 46 177.935 176.360 1.575 1 1 472 . 4 1 1 A 46 46 LEU CA C 46 54.984 56.031 -1.047 1 1 473 . 4 1 1 A 46 46 LEU CB C 46 42.815 42.565 0.250 1 1 477 . 4 1 1 A 46 46 LEU N N 46 124.670 128.647 -3.977 1 1 478 . 4 1 1 A 47 47 LYS H H 47 8.959 8.337 0.622 1 1 479 . 4 1 1 A 47 47 LYS HA H 47 3.875 3.934 -0.059 1 1 488 . 4 1 1 A 47 47 LYS C C 47 176.699 177.034 -0.335 1 1 489 . 4 1 1 A 47 47 LYS CA C 47 58.861 57.624 1.237 1 1 490 . 4 1 1 A 47 47 LYS CB C 47 32.076 32.131 -0.055 1 1 494 . 4 1 1 A 47 47 LYS N N 47 129.726 126.336 3.390 1 1 495 . 4 1 1 A 48 48 ASP H H 48 8.845 8.947 -0.102 1 1 496 . 4 1 1 A 48 48 ASP HA H 48 4.395 4.404 -0.009 1 1 499 . 4 1 1 A 48 48 ASP C C 48 175.442 175.618 -0.176 1 1 500 . 4 1 1 A 48 48 ASP CA C 48 56.632 54.951 1.681 1 1 501 . 4 1 1 A 48 48 ASP CB C 48 39.740 38.783 0.957 1 1 502 . 4 1 1 A 48 48 ASP N N 48 119.883 125.711 -5.828 1 1 503 . 4 1 1 A 49 49 GLY H H 49 7.947 7.688 0.259 1 1 504 . 4 1 1 A 49 49 GLY HA2 H 49 4.578 4.113 0.465 1 1 505 . 4 1 1 A 49 49 GLY HA3 H 49 3.748 4.171 -0.423 1 1 506 . 4 1 1 A 49 49 GLY C C 49 172.008 174.780 -2.772 1 1 507 . 4 1 1 A 49 49 GLY CA C 49 45.000 44.013 0.987 1 1 508 . 4 1 1 A 49 49 GLY N N 49 106.565 108.756 -2.191 1 1 509 . 4 1 1 A 50 50 PRO HA H 50 4.268 4.391 -0.123 1 1 516 . 4 1 1 A 50 50 PRO C C 50 179.273 178.798 0.475 1 1 517 . 4 1 1 A 50 50 PRO CA C 50 65.791 65.313 0.478 1 1 518 . 4 1 1 A 50 50 PRO CB C 50 32.532 31.962 0.570 1 1 521 . 4 1 1 A 51 51 ALA H H 51 7.805 8.231 -0.426 1 1 522 . 4 1 1 A 51 51 ALA HA H 51 4.167 4.111 0.056 1 1 526 . 4 1 1 A 51 51 ALA C C 51 178.947 180.128 -1.181 1 1 527 . 4 1 1 A 51 51 ALA CA C 51 55.079 54.945 0.134 1 1 528 . 4 1 1 A 51 51 ALA CB C 51 18.988 18.402 0.586 1 1 529 . 4 1 1 A 51 51 ALA N N 51 119.037 118.941 0.096 1 1 530 . 4 1 1 A 52 52 GLN H H 52 9.614 7.805 1.809 1 1 531 . 4 1 1 A 52 52 GLN HA H 52 3.969 4.037 -0.068 1 1 538 . 4 1 1 A 52 52 GLN C C 52 178.509 178.176 0.333 1 1 539 . 4 1 1 A 52 52 GLN CA C 52 59.529 58.955 0.574 1 1 540 . 4 1 1 A 52 52 GLN CB C 52 29.107 28.573 0.534 1 1 542 . 4 1 1 A 52 52 GLN N N 52 122.017 117.492 4.525 1 1 544 . 4 1 1 A 53 53 ARG H H 53 8.524 8.353 0.171 1 1 545 . 4 1 1 A 53 53 ARG HA H 53 3.996 4.111 -0.115 1 1 552 . 4 1 1 A 53 53 ARG C C 53 178.479 179.002 -0.523 1 1 553 . 4 1 1 A 53 53 ARG CA C 53 58.825 59.637 -0.812 1 1 554 . 4 1 1 A 53 53 ARG CB C 53 30.546 30.392 0.154 1 1 557 . 4 1 1 A 53 53 ARG N N 53 116.703 118.760 -2.057 1 1 558 . 4 1 1 A 54 54 CYS H H 54 7.589 7.722 -0.133 1 1 559 . 4 1 1 A 54 54 CYS HA H 54 4.641 4.285 0.356 1 1 562 . 4 1 1 A 54 54 CYS C C 54 175.840 175.506 0.334 1 1 563 . 4 1 1 A 54 54 CYS CA C 54 59.724 60.285 -0.561 1 1 564 . 4 1 1 A 54 54 CYS CB C 54 27.419 28.751 -1.332 1 1 565 . 4 1 1 A 54 54 CYS N N 54 113.424 117.249 -3.825 1 1 566 . 4 1 1 A 55 55 GLY H H 55 7.436 8.102 -0.666 1 1 567 . 4 1 1 A 55 55 GLY HA2 H 55 4.082 3.891 0.191 1 1 568 . 4 1 1 A 55 55 GLY HA3 H 55 4.082 3.896 0.186 1 1 569 . 4 1 1 A 55 55 GLY C C 55 174.435 175.048 -0.613 1 1 570 . 4 1 1 A 55 55 GLY CA C 55 46.977 46.718 0.259 1 1 571 . 4 1 1 A 55 55 GLY N N 55 109.572 109.607 -0.035 1 1 572 . 4 1 1 A 56 56 ARG H H 56 7.860 7.825 0.035 1 1 573 . 4 1 1 A 56 56 ARG HA H 56 4.472 4.262 0.210 1 1 580 . 4 1 1 A 56 56 ARG C C 56 174.959 176.336 -1.377 1 1 581 . 4 1 1 A 56 56 ARG CA C 56 55.687 56.643 -0.956 1 1 582 . 4 1 1 A 56 56 ARG CB C 56 32.785 31.413 1.372 1 1 585 . 4 1 1 A 56 56 ARG N N 56 118.137 117.707 0.430 1 1 586 . 4 1 1 A 57 57 LEU H H 57 8.219 7.553 0.666 1 1 587 . 4 1 1 A 57 57 LEU HA H 57 4.926 5.065 -0.139 1 1 597 . 4 1 1 A 57 57 LEU C C 57 175.333 175.157 0.176 1 1 598 . 4 1 1 A 57 57 LEU CA C 57 53.043 53.271 -0.228 1 1 599 . 4 1 1 A 57 57 LEU CB C 57 46.459 45.601 0.858 1 1 603 . 4 1 1 A 57 57 LEU N N 57 117.496 120.082 -2.586 1 1 604 . 4 1 1 A 58 58 GLU H H 58 9.053 9.158 -0.105 1 1 605 . 4 1 1 A 58 58 GLU HA H 58 4.460 4.887 -0.427 1 1 610 . 4 1 1 A 58 58 GLU C C 58 175.683 176.087 -0.404 1 1 611 . 4 1 1 A 58 58 GLU CA C 58 54.144 54.070 0.074 1 1 612 . 4 1 1 A 58 58 GLU CB C 58 33.286 33.678 -0.392 1 1 614 . 4 1 1 A 58 58 GLU N N 58 121.883 120.990 0.893 1 1 615 . 4 1 1 A 59 59 VAL H H 59 8.727 8.625 0.102 1 1 616 . 4 1 1 A 59 59 VAL HA H 59 3.213 3.521 -0.308 1 1 624 . 4 1 1 A 59 59 VAL C C 59 177.728 177.128 0.600 1 1 625 . 4 1 1 A 59 59 VAL CA C 59 65.823 65.144 0.679 1 1 626 . 4 1 1 A 59 59 VAL CB C 59 31.151 31.481 -0.330 1 1 629 . 4 1 1 A 59 59 VAL N N 59 121.698 122.323 -0.625 1 1 630 . 4 1 1 A 60 60 GLY H H 60 9.172 8.505 0.667 1 1 631 . 4 1 1 A 60 60 GLY HA2 H 60 4.500 4.002 0.498 1 1 632 . 4 1 1 A 60 60 GLY HA3 H 60 3.469 4.004 -0.535 1 1 633 . 4 1 1 A 60 60 GLY C C 60 173.646 174.139 -0.493 1 1 634 . 4 1 1 A 60 60 GLY CA C 60 44.148 45.093 -0.945 1 1 635 . 4 1 1 A 60 60 GLY N N 60 117.734 115.268 2.466 1 1 636 . 4 1 1 A 61 61 ASP H H 61 7.877 7.954 -0.077 1 1 637 . 4 1 1 A 61 61 ASP HA H 61 4.551 4.610 -0.059 1 1 640 . 4 1 1 A 61 61 ASP C C 61 175.437 175.695 -0.258 1 1 641 . 4 1 1 A 61 61 ASP CA C 61 56.057 55.380 0.677 1 1 642 . 4 1 1 A 61 61 ASP CB C 61 40.660 41.679 -1.019 1 1 643 . 4 1 1 A 61 61 ASP N N 61 121.399 121.957 -0.558 1 1 644 . 4 1 1 A 62 62 LEU H H 62 8.773 8.694 0.079 1 1 645 . 4 1 1 A 62 62 LEU HA H 62 4.713 4.627 0.086 1 1 655 . 4 1 1 A 62 62 LEU C C 62 176.560 176.023 0.537 1 1 656 . 4 1 1 A 62 62 LEU CA C 62 54.259 53.837 0.422 1 1 657 . 4 1 1 A 62 62 LEU CB C 62 42.022 42.068 -0.046 1 1 661 . 4 1 1 A 62 62 LEU N N 62 120.566 124.562 -3.996 1 1 662 . 4 1 1 A 63 63 VAL H H 63 8.121 8.583 -0.462 1 1 663 . 4 1 1 A 63 63 VAL HA H 63 4.113 4.078 0.035 1 1 671 . 4 1 1 A 63 63 VAL C C 63 175.468 175.465 0.003 1 1 672 . 4 1 1 A 63 63 VAL CA C 63 61.763 62.593 -0.830 1 1 673 . 4 1 1 A 63 63 VAL CB C 63 31.413 31.778 -0.365 1 1 676 . 4 1 1 A 63 63 VAL N N 63 121.172 124.649 -3.477 1 1 677 . 4 1 1 A 64 64 LEU H H 64 9.077 8.741 0.336 1 1 678 . 4 1 1 A 64 64 LEU HA H 64 4.113 4.225 -0.112 1 1 688 . 4 1 1 A 64 64 LEU C C 64 177.611 176.390 1.221 1 1 689 . 4 1 1 A 64 64 LEU CA C 64 56.614 55.666 0.948 1 1 690 . 4 1 1 A 64 64 LEU CB C 64 42.994 42.236 0.758 1 1 694 . 4 1 1 A 64 64 LEU N N 64 130.175 128.150 2.025 1 1 695 . 4 1 1 A 65 65 HIS H H 65 7.510 7.574 -0.064 1 1 696 . 4 1 1 A 65 65 HIS HA H 65 5.297 5.222 0.075 1 1 701 . 4 1 1 A 65 65 HIS C C 65 174.833 173.763 1.070 1 1 702 . 4 1 1 A 65 65 HIS CA C 65 55.715 54.514 1.201 1 1 703 . 4 1 1 A 65 65 HIS CB C 65 35.813 34.981 0.832 1 1 706 . 4 1 1 A 65 65 HIS N N 65 115.096 114.102 0.994 1 1 707 . 4 1 1 A 66 66 ILE H H 66 8.675 8.732 -0.057 1 1 708 . 4 1 1 A 66 66 ILE HA H 66 4.320 4.362 -0.042 1 1 718 . 4 1 1 A 66 66 ILE C C 66 175.571 175.851 -0.280 1 1 719 . 4 1 1 A 66 66 ILE CA C 66 60.510 60.304 0.206 1 1 720 . 4 1 1 A 66 66 ILE CB C 66 41.360 40.651 0.709 1 1 724 . 4 1 1 A 66 66 ILE N N 66 119.474 119.369 0.105 1 1 725 . 4 1 1 A 67 67 ASN H H 67 10.170 9.628 0.542 1 1 726 . 4 1 1 A 67 67 ASN HA H 67 4.595 4.588 0.007 1 1 731 . 4 1 1 A 67 67 ASN C C 67 175.349 175.650 -0.301 1 1 732 . 4 1 1 A 67 67 ASN CA C 67 54.589 54.653 -0.064 1 1 733 . 4 1 1 A 67 67 ASN CB C 67 37.267 37.270 -0.003 1 1 734 . 4 1 1 A 67 67 ASN N N 67 129.216 127.585 1.631 1 1 736 . 4 1 1 A 68 68 GLY H H 68 9.396 8.795 0.601 1 1 737 . 4 1 1 A 68 68 GLY HA2 H 68 4.155 3.900 0.255 1 1 738 . 4 1 1 A 68 68 GLY HA3 H 68 3.585 3.921 -0.336 1 1 739 . 4 1 1 A 68 68 GLY C C 68 173.920 173.791 0.129 1 1 740 . 4 1 1 A 68 68 GLY CA C 68 45.267 46.101 -0.834 1 1 741 . 4 1 1 A 68 68 GLY N N 68 104.067 104.103 -0.036 1 1 742 . 4 1 1 A 69 69 GLU H H 69 7.815 7.668 0.147 1 1 743 . 4 1 1 A 69 69 GLU HA H 69 4.619 4.781 -0.162 1 1 748 . 4 1 1 A 69 69 GLU C C 69 175.696 174.988 0.708 1 1 749 . 4 1 1 A 69 69 GLU CA C 69 54.803 54.367 0.436 1 1 750 . 4 1 1 A 69 69 GLU CB C 69 32.281 32.062 0.219 1 1 752 . 4 1 1 A 69 69 GLU N N 69 121.337 116.762 4.575 1 1 753 . 4 1 1 A 70 70 SER H H 70 8.867 8.724 0.143 1 1 754 . 4 1 1 A 70 70 SER HA H 70 4.411 4.895 -0.484 1 1 757 . 4 1 1 A 70 70 SER C C 70 176.409 174.224 2.185 1 1 758 . 4 1 1 A 70 70 SER CA C 70 58.034 58.174 -0.140 1 1 759 . 4 1 1 A 70 70 SER CB C 70 63.432 63.618 -0.186 1 1 760 . 4 1 1 A 70 70 SER N N 70 119.566 118.150 1.416 1 1 761 . 4 1 1 A 71 71 THR H H 71 7.914 9.041 -1.127 1 1 762 . 4 1 1 A 71 71 THR HA H 71 4.162 4.439 -0.277 1 1 767 . 4 1 1 A 71 71 THR C C 71 175.433 175.377 0.056 1 1 768 . 4 1 1 A 71 71 THR CA C 71 60.921 62.946 -2.025 1 1 769 . 4 1 1 A 71 71 THR CB C 71 68.671 68.957 -0.286 1 1 771 . 4 1 1 A 71 71 THR N N 71 114.514 121.342 -6.828 1 1 772 . 4 1 1 A 72 72 GLN H H 72 8.131 8.084 0.047 1 1 773 . 4 1 1 A 72 72 GLN HA H 72 4.020 4.014 0.006 1 1 780 . 4 1 1 A 72 72 GLN C C 72 176.950 177.377 -0.427 1 1 781 . 4 1 1 A 72 72 GLN CA C 72 58.361 59.607 -1.246 1 1 782 . 4 1 1 A 72 72 GLN CB C 72 28.079 28.470 -0.391 1 1 784 . 4 1 1 A 72 72 GLN N N 72 124.809 121.176 3.633 1 1 786 . 4 1 1 A 73 73 GLY H H 73 9.025 7.938 1.087 1 1 787 . 4 1 1 A 73 73 GLY HA2 H 73 4.092 4.085 0.007 1 1 788 . 4 1 1 A 73 73 GLY HA3 H 73 3.754 4.087 -0.333 1 1 789 . 4 1 1 A 73 73 GLY C C 73 173.971 173.586 0.385 1 1 790 . 4 1 1 A 73 73 GLY CA C 73 45.373 45.557 -0.184 1 1 791 . 4 1 1 A 73 73 GLY N N 73 114.015 106.047 7.968 1 1 792 . 4 1 1 A 74 74 LEU H H 74 7.672 7.475 0.197 1 1 793 . 4 1 1 A 74 74 LEU HA H 74 4.768 4.672 0.096 1 1 803 . 4 1 1 A 74 74 LEU C C 74 179.964 176.393 3.571 1 1 804 . 4 1 1 A 74 74 LEU CA C 74 54.682 53.955 0.727 1 1 805 . 4 1 1 A 74 74 LEU CB C 74 42.355 43.840 -1.485 1 1 809 . 4 1 1 A 74 74 LEU N N 74 118.933 120.782 -1.849 1 1 810 . 4 1 1 A 75 75 THR H H 75 8.911 8.503 0.408 1 1 811 . 4 1 1 A 75 75 THR HA H 75 4.799 4.883 -0.084 1 1 816 . 4 1 1 A 75 75 THR C C 75 174.971 175.694 -0.723 1 1 817 . 4 1 1 A 75 75 THR CA C 75 60.571 60.093 0.478 1 1 818 . 4 1 1 A 75 75 THR CB C 75 71.058 71.407 -0.349 1 1 820 . 4 1 1 A 75 75 THR N N 75 113.687 112.142 1.545 1 1 821 . 4 1 1 A 76 76 HIS H H 76 9.474 9.114 0.360 1 1 822 . 4 1 1 A 76 76 HIS HA H 76 3.997 4.138 -0.141 1 1 826 . 4 1 1 A 76 76 HIS C C 76 176.917 176.962 -0.045 1 1 827 . 4 1 1 A 76 76 HIS CA C 76 61.208 60.178 1.030 1 1 828 . 4 1 1 A 76 76 HIS CB C 76 29.729 29.893 -0.164 1 1 830 . 4 1 1 A 76 76 HIS N N 76 122.022 121.665 0.357 1 1 831 . 4 1 1 A 77 77 ALA H H 77 8.457 8.393 0.064 1 1 832 . 4 1 1 A 77 77 ALA HA H 77 3.946 3.968 -0.022 1 1 836 . 4 1 1 A 77 77 ALA C C 77 181.502 179.510 1.992 1 1 837 . 4 1 1 A 77 77 ALA CA C 77 55.282 55.231 0.051 1 1 838 . 4 1 1 A 77 77 ALA CB C 77 18.162 18.133 0.029 1 1 839 . 4 1 1 A 77 77 ALA N N 77 119.389 121.210 -1.821 1 1 840 . 4 1 1 A 78 78 GLN H H 78 7.991 7.632 0.359 1 1 841 . 4 1 1 A 78 78 GLN HA H 78 4.029 4.056 -0.027 1 1 848 . 4 1 1 A 78 78 GLN C C 78 179.215 178.573 0.642 1 1 849 . 4 1 1 A 78 78 GLN CA C 78 58.562 58.826 -0.264 1 1 850 . 4 1 1 A 78 78 GLN CB C 78 29.592 28.530 1.062 1 1 852 . 4 1 1 A 78 78 GLN N N 78 117.510 118.104 -0.594 1 1 854 . 4 1 1 A 79 79 ALA H H 79 8.367 8.003 0.364 1 1 855 . 4 1 1 A 79 79 ALA HA H 79 3.775 4.051 -0.276 1 1 859 . 4 1 1 A 79 79 ALA C C 79 178.754 180.060 -1.306 1 1 860 . 4 1 1 A 79 79 ALA CA C 79 55.828 55.275 0.553 1 1 861 . 4 1 1 A 79 79 ALA CB C 79 18.733 18.473 0.260 1 1 862 . 4 1 1 A 79 79 ALA N N 79 123.463 122.252 1.211 1 1 863 . 4 1 1 A 80 80 VAL H H 80 8.228 7.742 0.486 1 1 864 . 4 1 1 A 80 80 VAL HA H 80 3.510 3.491 0.019 1 1 872 . 4 1 1 A 80 80 VAL C C 80 179.087 177.789 1.298 1 1 873 . 4 1 1 A 80 80 VAL CA C 80 66.912 66.607 0.305 1 1 874 . 4 1 1 A 80 80 VAL CB C 80 31.781 31.431 0.350 1 1 877 . 4 1 1 A 80 80 VAL N N 80 116.720 117.914 -1.194 1 1 878 . 4 1 1 A 81 81 GLU H H 81 7.834 8.257 -0.423 1 1 879 . 4 1 1 A 81 81 GLU HA H 81 4.195 4.018 0.177 1 1 884 . 4 1 1 A 81 81 GLU C C 81 178.847 179.111 -0.264 1 1 885 . 4 1 1 A 81 81 GLU CA C 81 59.100 59.836 -0.736 1 1 886 . 4 1 1 A 81 81 GLU CB C 81 28.818 29.500 -0.682 1 1 888 . 4 1 1 A 81 81 GLU N N 81 121.198 119.805 1.393 1 1 889 . 4 1 1 A 82 82 ARG H H 82 8.004 7.991 0.013 1 1 890 . 4 1 1 A 82 82 ARG HA H 82 4.021 3.991 0.030 1 1 897 . 4 1 1 A 82 82 ARG C C 82 179.863 178.696 1.167 1 1 898 . 4 1 1 A 82 82 ARG CA C 82 58.487 59.173 -0.686 1 1 899 . 4 1 1 A 82 82 ARG CB C 82 29.026 29.984 -0.958 1 1 902 . 4 1 1 A 82 82 ARG N N 82 119.267 119.017 0.250 1 1 903 . 4 1 1 A 83 83 ILE H H 83 7.875 7.969 -0.094 1 1 904 . 4 1 1 A 83 83 ILE HA H 83 3.467 3.660 -0.193 1 1 914 . 4 1 1 A 83 83 ILE C C 83 179.211 178.007 1.204 1 1 915 . 4 1 1 A 83 83 ILE CA C 83 65.491 64.964 0.527 1 1 916 . 4 1 1 A 83 83 ILE CB C 83 38.055 37.949 0.106 1 1 920 . 4 1 1 A 83 83 ILE N N 83 120.039 120.819 -0.780 1 1 921 . 4 1 1 A 84 84 ARG H H 84 8.207 8.365 -0.158 1 1 922 . 4 1 1 A 84 84 ARG HA H 84 4.125 4.180 -0.055 1 1 929 . 4 1 1 A 84 84 ARG C C 84 179.062 179.500 -0.438 1 1 930 . 4 1 1 A 84 84 ARG CA C 84 59.643 59.824 -0.181 1 1 931 . 4 1 1 A 84 84 ARG CB C 84 30.197 30.222 -0.025 1 1 934 . 4 1 1 A 84 84 ARG N N 84 121.315 119.874 1.441 1 1 935 . 4 1 1 A 85 85 ALA H H 85 8.366 8.466 -0.100 1 1 936 . 4 1 1 A 85 85 ALA HA H 85 4.241 4.073 0.168 1 1 940 . 4 1 1 A 85 85 ALA C C 85 179.042 179.822 -0.780 1 1 941 . 4 1 1 A 85 85 ALA CA C 85 53.695 54.887 -1.192 1 1 942 . 4 1 1 A 85 85 ALA CB C 85 18.806 18.542 0.264 1 1 943 . 4 1 1 A 85 85 ALA N N 85 120.166 122.128 -1.962 1 1 944 . 4 1 1 A 86 86 GLY H H 86 7.470 8.722 -1.252 1 1 945 . 4 1 1 A 86 86 GLY HA2 H 86 4.134 3.929 0.205 1 1 946 . 4 1 1 A 86 86 GLY HA3 H 86 4.134 3.945 0.189 1 1 947 . 4 1 1 A 86 86 GLY C C 86 174.699 174.494 0.205 1 1 948 . 4 1 1 A 86 86 GLY CA C 86 45.902 47.025 -1.123 1 1 949 . 4 1 1 A 86 86 GLY N N 86 104.067 106.218 -2.151 1 1 950 . 4 1 1 A 87 87 GLY H H 87 7.688 7.242 0.446 1 1 951 . 4 1 1 A 87 87 GLY HA2 H 87 4.528 4.126 0.402 1 1 952 . 4 1 1 A 87 87 GLY HA3 H 87 3.835 4.128 -0.293 1 1 953 . 4 1 1 A 87 87 GLY C C 87 173.611 174.062 -0.451 1 1 954 . 4 1 1 A 87 87 GLY CA C 87 44.677 44.152 0.525 1 1 955 . 4 1 1 A 87 87 GLY N N 87 107.458 106.204 1.254 1 1 956 . 4 1 1 A 88 88 PRO HA H 88 4.306 4.468 -0.162 1 1 963 . 4 1 1 A 88 88 PRO C C 88 175.247 176.420 -1.173 1 1 964 . 4 1 1 A 88 88 PRO CA C 88 64.596 64.201 0.395 1 1 965 . 4 1 1 A 88 88 PRO CB C 88 32.405 32.165 0.240 1 1 968 . 4 1 1 A 89 89 GLN H H 89 7.606 8.084 -0.478 1 1 969 . 4 1 1 A 89 89 GLN HA H 89 5.343 4.999 0.344 1 1 976 . 4 1 1 A 89 89 GLN C C 89 173.750 174.772 -1.022 1 1 977 . 4 1 1 A 89 89 GLN CA C 89 54.626 55.047 -0.421 1 1 978 . 4 1 1 A 89 89 GLN CB C 89 31.870 30.537 1.333 1 1 980 . 4 1 1 A 89 89 GLN N N 89 116.964 118.636 -1.672 1 1 982 . 4 1 1 A 90 90 LEU H H 90 8.610 8.483 0.127 1 1 983 . 4 1 1 A 90 90 LEU HA H 90 4.757 4.773 -0.016 1 1 993 . 4 1 1 A 90 90 LEU C C 90 173.607 175.292 -1.685 1 1 994 . 4 1 1 A 90 90 LEU CA C 90 53.730 53.593 0.137 1 1 995 . 4 1 1 A 90 90 LEU CB C 90 45.549 43.882 1.667 1 1 999 . 4 1 1 A 90 90 LEU N N 90 124.460 126.064 -1.604 1 1 1000 . 4 1 1 A 91 91 HIS H H 91 8.826 8.859 -0.033 1 1 1001 . 4 1 1 A 91 91 HIS HA H 91 5.207 5.505 -0.298 1 1 1006 . 4 1 1 A 91 91 HIS C C 91 174.745 173.210 1.535 1 1 1007 . 4 1 1 A 91 91 HIS CA C 91 55.093 54.105 0.988 1 1 1008 . 4 1 1 A 91 91 HIS CB C 91 32.686 32.645 0.041 1 1 1011 . 4 1 1 A 91 91 HIS N N 91 126.871 126.266 0.605 1 1 1012 . 4 1 1 A 92 92 LEU H H 92 9.024 8.814 0.210 1 1 1013 . 4 1 1 A 92 92 LEU HA H 92 5.203 4.792 0.411 1 1 1023 . 4 1 1 A 92 92 LEU C C 92 175.889 175.485 0.404 1 1 1024 . 4 1 1 A 92 92 LEU CA C 92 52.955 53.492 -0.537 1 1 1025 . 4 1 1 A 92 92 LEU CB C 92 46.233 45.589 0.644 1 1 1029 . 4 1 1 A 92 92 LEU N N 92 125.837 128.905 -3.068 1 1 1030 . 4 1 1 A 93 93 VAL H H 93 7.739 8.585 -0.846 1 1 1031 . 4 1 1 A 93 93 VAL HA H 93 4.568 4.534 0.034 1 1 1039 . 4 1 1 A 93 93 VAL C C 93 174.538 175.012 -0.474 1 1 1040 . 4 1 1 A 93 93 VAL CA C 93 62.666 62.032 0.634 1 1 1041 . 4 1 1 A 93 93 VAL CB C 93 32.838 31.596 1.242 1 1 1044 . 4 1 1 A 93 93 VAL N N 93 120.566 125.279 -4.713 1 1 1045 . 4 1 1 A 94 94 ILE H H 94 8.965 8.338 0.627 1 1 1046 . 4 1 1 A 94 94 ILE HA H 94 5.152 4.780 0.372 1 1 1056 . 4 1 1 A 94 94 ILE C C 94 174.723 174.560 0.163 1 1 1057 . 4 1 1 A 94 94 ILE CA C 94 56.360 58.947 -2.587 1 1 1058 . 4 1 1 A 94 94 ILE CB C 94 39.214 41.053 -1.839 1 1 1062 . 4 1 1 A 94 94 ILE N N 94 128.952 126.992 1.960 1 1 1063 . 4 1 1 A 95 95 ARG H H 95 8.286 8.224 0.062 1 1 1064 . 4 1 1 A 95 95 ARG HA H 95 4.715 4.866 -0.151 1 1 1071 . 4 1 1 A 95 95 ARG C C 95 173.665 174.966 -1.301 1 1 1072 . 4 1 1 A 95 95 ARG CA C 95 54.982 54.578 0.404 1 1 1073 . 4 1 1 A 95 95 ARG CB C 95 34.833 33.543 1.290 1 1 1076 . 4 1 1 A 95 95 ARG N N 95 120.920 125.787 -4.867 1 1 1077 . 4 1 1 A 96 96 ARG H H 96 9.238 8.735 0.503 1 1 1078 . 4 1 1 A 96 96 ARG HA H 96 4.984 4.424 0.560 1 1 1086 . 4 1 1 A 96 96 ARG C C 96 174.582 174.778 -0.196 1 1 1087 . 4 1 1 A 96 96 ARG CA C 96 53.219 54.335 -1.116 1 1 1088 . 4 1 1 A 96 96 ARG CB C 96 31.369 30.927 0.442 1 1 1091 . 4 1 1 A 96 96 ARG N N 96 129.955 128.468 1.487 1 1 1093 . 4 1 1 A 97 97 PRO HA H 97 4.424 4.518 -0.094 1 1 1100 . 4 1 1 A 97 97 PRO C C 97 176.289 176.816 -0.527 1 1 1101 . 4 1 1 A 97 97 PRO CA C 97 63.322 62.778 0.544 1 1 1102 . 4 1 1 A 97 97 PRO CB C 97 32.240 32.010 0.230 1 1 1105 . 4 1 1 A 98 98 LEU H H 98 8.325 8.278 0.047 1 1 1106 . 4 1 1 A 98 98 LEU HA H 98 4.399 4.218 0.181 1 1 1116 . 4 1 1 A 98 98 LEU C C 98 177.395 175.331 2.064 1 1 1117 . 4 1 1 A 98 98 LEU CA C 98 55.165 56.100 -0.935 1 1 1118 . 4 1 1 A 98 98 LEU CB C 98 42.419 42.501 -0.082 1 1 1122 . 4 1 1 A 98 98 LEU N N 98 122.396 124.295 -1.899 1 1 1123 . 4 1 1 A 99 99 SER H H 99 8.333 8.796 -0.463 1 1 1124 . 4 1 1 A 99 99 SER HA H 99 4.483 5.219 -0.736 1 1 1127 . 4 1 1 A 99 99 SER C C 99 174.489 173.030 1.459 1 1 1128 . 4 1 1 A 99 99 SER CA C 99 58.138 56.280 1.858 1 1 1129 . 4 1 1 A 99 99 SER CB C 99 63.846 66.046 -2.200 1 1 1130 . 4 1 1 A 99 99 SER N N 99 116.892 121.447 -4.555 1 1 1131 . 4 1 1 A 100 100 GLY H H 100 8.253 8.287 -0.034 1 1 1132 . 4 1 1 A 100 100 GLY HA2 H 100 4.177 4.092 0.085 1 1 1133 . 4 1 1 A 100 100 GLY HA3 H 100 4.101 4.092 0.009 1 1 1134 . 4 1 1 A 100 100 GLY C C 100 171.838 174.681 -2.843 1 1 1135 . 4 1 1 A 100 100 GLY CA C 100 44.679 46.080 -1.401 1 1 1136 . 4 1 1 A 100 100 GLY N N 100 110.703 112.182 -1.479 1 1 1137 . 4 1 1 A 101 101 PRO HA H 101 4.480 4.469 0.011 1 1 1144 . 4 1 1 A 101 101 PRO C C 101 177.411 176.919 0.492 1 1 1145 . 4 1 1 A 101 101 PRO CA C 101 63.312 63.617 -0.305 1 1 1146 . 4 1 1 A 101 101 PRO CB C 101 32.158 31.976 0.182 1 1 1149 . 4 1 1 A 102 102 SER H H 102 8.517 7.678 0.839 1 1 1150 . 4 1 1 A 102 102 SER C C 102 174.655 174.391 0.264 1 1 1151 . 4 1 1 A 102 102 SER CA C 102 58.438 59.161 -0.723 1 1 1152 . 4 1 1 A 102 102 SER CB C 102 63.970 63.523 0.447 1 1 1 . 5 1 1 A 2 2 SER HA H 2 4.493 5.001 -0.508 1 1 4 . 5 1 1 A 2 2 SER C C 2 174.671 173.434 1.237 1 1 5 . 5 1 1 A 2 2 SER CA C 2 58.438 58.287 0.151 1 1 6 . 5 1 1 A 2 2 SER CB C 2 63.558 64.612 -1.054 1 1 7 . 5 1 1 A 3 3 SER H H 3 8.324 8.501 -0.177 1 1 8 . 5 1 1 A 3 3 SER HA H 3 4.493 5.418 -0.925 1 1 11 . 5 1 1 A 3 3 SER C C 3 173.918 174.075 -0.157 1 1 12 . 5 1 1 A 3 3 SER CA C 3 58.455 56.845 1.610 1 1 13 . 5 1 1 A 3 3 SER CB C 3 63.929 66.540 -2.611 1 1 14 . 5 1 1 A 3 3 SER N N 3 117.862 119.238 -1.376 1 1 15 . 5 1 1 A 4 4 GLY H H 4 8.045 8.258 -0.213 1 1 16 . 5 1 1 A 4 4 GLY C C 4 179.001 171.612 7.389 1 1 17 . 5 1 1 A 4 4 GLY CA C 4 46.201 45.866 0.335 1 1 18 . 5 1 1 A 4 4 GLY N N 4 116.862 110.879 5.983 1 1 19 . 5 1 1 A 6 6 SER HA H 6 4.461 4.655 -0.194 1 1 22 . 5 1 1 A 6 6 SER C C 6 175.170 174.266 0.904 1 1 23 . 5 1 1 A 6 6 SER CA C 6 58.755 58.186 0.569 1 1 24 . 5 1 1 A 6 6 SER CB C 6 63.862 62.767 1.095 1 1 25 . 5 1 1 A 7 7 GLY H H 7 8.432 7.615 0.817 1 1 26 . 5 1 1 A 7 7 GLY HA2 H 7 3.966 4.167 -0.201 1 1 27 . 5 1 1 A 7 7 GLY C C 7 174.309 174.491 -0.182 1 1 28 . 5 1 1 A 7 7 GLY CA C 7 45.408 45.815 -0.407 1 1 29 . 5 1 1 A 7 7 GLY N N 7 110.678 108.482 2.196 1 1 30 . 5 1 1 A 8 8 GLN H H 8 8.210 8.081 0.129 1 1 31 . 5 1 1 A 8 8 GLN HA H 8 4.324 4.387 -0.063 1 1 38 . 5 1 1 A 8 8 GLN C C 8 176.037 176.144 -0.107 1 1 39 . 5 1 1 A 8 8 GLN CA C 8 55.970 56.916 -0.946 1 1 40 . 5 1 1 A 8 8 GLN CB C 8 29.562 30.383 -0.821 1 1 42 . 5 1 1 A 8 8 GLN N N 8 119.977 119.213 0.764 1 1 44 . 5 1 1 A 9 9 ALA H H 9 8.394 7.424 0.970 1 1 45 . 5 1 1 A 9 9 ALA HA H 9 4.319 4.248 0.071 1 1 49 . 5 1 1 A 9 9 ALA C C 9 177.635 176.838 0.797 1 1 50 . 5 1 1 A 9 9 ALA CA C 9 52.531 53.338 -0.807 1 1 51 . 5 1 1 A 9 9 ALA CB C 9 19.136 19.613 -0.477 1 1 52 . 5 1 1 A 9 9 ALA N N 9 125.301 123.664 1.637 1 1 53 . 5 1 1 A 10 10 SER H H 10 8.259 8.844 -0.585 1 1 54 . 5 1 1 A 10 10 SER HA H 10 4.440 4.678 -0.238 1 1 57 . 5 1 1 A 10 10 SER C C 10 175.138 176.802 -1.664 1 1 58 . 5 1 1 A 10 10 SER CA C 10 58.649 61.003 -2.354 1 1 59 . 5 1 1 A 10 10 SER CB C 10 63.888 64.149 -0.261 1 1 60 . 5 1 1 A 10 10 SER N N 10 114.874 119.435 -4.561 1 1 61 . 5 1 1 A 11 11 GLY H H 11 8.493 7.909 0.584 1 1 62 . 5 1 1 A 11 11 GLY HA2 H 11 4.039 3.469 0.570 1 1 63 . 5 1 1 A 11 11 GLY HA3 H 11 4.039 3.664 0.375 1 1 64 . 5 1 1 A 11 11 GLY C C 11 173.678 174.593 -0.915 1 1 65 . 5 1 1 A 11 11 GLY CA C 11 45.531 47.192 -1.661 1 1 66 . 5 1 1 A 11 11 GLY N N 11 110.301 108.996 1.305 1 1 67 . 5 1 1 A 12 12 HIS H H 12 7.970 7.358 0.612 1 1 68 . 5 1 1 A 12 12 HIS HA H 12 5.442 4.428 1.014 1 1 73 . 5 1 1 A 12 12 HIS C C 12 175.304 174.844 0.460 1 1 74 . 5 1 1 A 12 12 HIS CA C 12 55.095 56.826 -1.731 1 1 75 . 5 1 1 A 12 12 HIS CB C 12 31.849 30.630 1.219 1 1 78 . 5 1 1 A 12 12 HIS N N 12 119.432 118.300 1.132 1 1 79 . 5 1 1 A 13 13 PHE H H 13 8.940 8.287 0.653 1 1 80 . 5 1 1 A 13 13 PHE HA H 13 5.072 5.352 -0.280 1 1 88 . 5 1 1 A 13 13 PHE C C 13 172.688 172.807 -0.119 1 1 89 . 5 1 1 A 13 13 PHE CA C 13 56.269 55.251 1.018 1 1 90 . 5 1 1 A 13 13 PHE CB C 13 40.835 41.557 -0.722 1 1 96 . 5 1 1 A 13 13 PHE N N 13 118.413 120.762 -2.349 1 1 97 . 5 1 1 A 14 14 SER H H 14 8.709 9.000 -0.291 1 1 98 . 5 1 1 A 14 14 SER HA H 14 5.580 5.404 0.176 1 1 101 . 5 1 1 A 14 14 SER C C 14 174.119 172.948 1.171 1 1 102 . 5 1 1 A 14 14 SER CA C 14 56.974 56.999 -0.025 1 1 103 . 5 1 1 A 14 14 SER CB C 14 65.778 66.191 -0.413 1 1 104 . 5 1 1 A 14 14 SER N N 14 115.082 116.109 -1.027 1 1 105 . 5 1 1 A 15 15 VAL H H 15 8.801 8.337 0.464 1 1 106 . 5 1 1 A 15 15 VAL HA H 15 4.373 4.648 -0.275 1 1 114 . 5 1 1 A 15 15 VAL C C 15 173.002 173.931 -0.929 1 1 115 . 5 1 1 A 15 15 VAL CA C 15 61.312 61.404 -0.092 1 1 116 . 5 1 1 A 15 15 VAL CB C 15 36.461 33.536 2.925 1 1 119 . 5 1 1 A 15 15 VAL N N 15 121.148 123.673 -2.525 1 1 120 . 5 1 1 A 16 16 GLU H H 16 8.383 9.064 -0.681 1 1 121 . 5 1 1 A 16 16 GLU HA H 16 5.299 5.396 -0.097 1 1 126 . 5 1 1 A 16 16 GLU C C 16 175.408 175.338 0.070 1 1 127 . 5 1 1 A 16 16 GLU CA C 16 54.594 54.897 -0.303 1 1 128 . 5 1 1 A 16 16 GLU CB C 16 31.993 31.651 0.342 1 1 130 . 5 1 1 A 16 16 GLU N N 16 125.925 129.311 -3.386 1 1 131 . 5 1 1 A 17 17 LEU H H 17 9.172 8.684 0.488 1 1 132 . 5 1 1 A 17 17 LEU HA H 17 5.000 5.185 -0.185 1 1 142 . 5 1 1 A 17 17 LEU C C 17 175.596 175.793 -0.197 1 1 143 . 5 1 1 A 17 17 LEU CA C 17 52.919 53.555 -0.636 1 1 144 . 5 1 1 A 17 17 LEU CB C 17 47.317 46.204 1.113 1 1 148 . 5 1 1 A 17 17 LEU N N 17 122.761 127.411 -4.650 1 1 149 . 5 1 1 A 18 18 VAL H H 18 8.546 8.895 -0.349 1 1 150 . 5 1 1 A 18 18 VAL HA H 18 4.831 4.656 0.175 1 1 158 . 5 1 1 A 18 18 VAL C C 18 175.783 175.958 -0.175 1 1 159 . 5 1 1 A 18 18 VAL CA C 18 61.277 61.318 -0.041 1 1 160 . 5 1 1 A 18 18 VAL CB C 18 33.600 33.580 0.020 1 1 163 . 5 1 1 A 18 18 VAL N N 18 122.523 122.037 0.486 1 1 164 . 5 1 1 A 19 19 ARG H H 19 8.495 8.093 0.402 1 1 165 . 5 1 1 A 19 19 ARG HA H 19 2.868 2.872 -0.004 1 1 172 . 5 1 1 A 19 19 ARG C C 19 176.248 175.611 0.637 1 1 173 . 5 1 1 A 19 19 ARG CA C 19 58.138 57.024 1.114 1 1 174 . 5 1 1 A 19 19 ARG CB C 19 30.839 30.475 0.364 1 1 177 . 5 1 1 A 19 19 ARG N N 19 127.015 128.639 -1.624 1 1 178 . 5 1 1 A 20 20 GLY H H 20 7.244 8.277 -1.033 1 1 179 . 5 1 1 A 20 20 GLY HA2 H 20 4.504 4.002 0.502 1 1 180 . 5 1 1 A 20 20 GLY HA3 H 20 3.750 4.034 -0.284 1 1 181 . 5 1 1 A 20 20 GLY C C 20 175.286 172.283 3.003 1 1 182 . 5 1 1 A 20 20 GLY CA C 20 44.131 44.203 -0.072 1 1 183 . 5 1 1 A 20 20 GLY N N 20 112.266 112.696 -0.430 1 1 184 . 5 1 1 A 21 21 TYR HA H 21 4.219 4.444 -0.225 1 1 191 . 5 1 1 A 21 21 TYR C C 21 176.309 175.505 0.804 1 1 192 . 5 1 1 A 21 21 TYR CA C 21 60.518 58.072 2.446 1 1 193 . 5 1 1 A 21 21 TYR CB C 21 37.826 39.166 -1.340 1 1 198 . 5 1 1 A 22 22 ALA H H 22 8.272 8.888 -0.616 1 1 199 . 5 1 1 A 22 22 ALA HA H 22 4.404 4.014 0.390 1 1 203 . 5 1 1 A 22 22 ALA C C 22 177.312 177.200 0.112 1 1 204 . 5 1 1 A 22 22 ALA CA C 22 50.816 53.354 -2.538 1 1 205 . 5 1 1 A 22 22 ALA CB C 22 18.455 18.321 0.134 1 1 206 . 5 1 1 A 22 22 ALA N N 22 121.539 128.527 -6.988 1 1 207 . 5 1 1 A 23 23 GLY H H 23 7.495 8.253 -0.758 1 1 208 . 5 1 1 A 23 23 GLY HA2 H 23 4.541 3.878 0.663 1 1 209 . 5 1 1 A 23 23 GLY HA3 H 23 3.238 3.985 -0.747 1 1 210 . 5 1 1 A 23 23 GLY C C 23 175.043 175.512 -0.469 1 1 211 . 5 1 1 A 23 23 GLY CA C 23 44.897 44.876 0.021 1 1 212 . 5 1 1 A 23 23 GLY N N 23 106.744 103.499 3.245 1 1 213 . 5 1 1 A 24 24 PHE H H 24 7.242 8.813 -1.571 1 1 214 . 5 1 1 A 24 24 PHE HA H 24 4.369 4.550 -0.181 1 1 222 . 5 1 1 A 24 24 PHE C C 24 175.902 176.186 -0.284 1 1 223 . 5 1 1 A 24 24 PHE CA C 24 60.347 58.526 1.821 1 1 224 . 5 1 1 A 24 24 PHE CB C 24 39.575 39.654 -0.079 1 1 230 . 5 1 1 A 25 25 GLY H H 25 8.820 8.733 0.087 1 1 231 . 5 1 1 A 25 25 GLY HA2 H 25 4.134 4.003 0.131 1 1 232 . 5 1 1 A 25 25 GLY HA3 H 25 3.913 4.008 -0.095 1 1 233 . 5 1 1 A 25 25 GLY C C 25 174.585 174.398 0.187 1 1 234 . 5 1 1 A 25 25 GLY CA C 25 47.030 46.324 0.706 1 1 235 . 5 1 1 A 25 25 GLY N N 25 107.899 109.329 -1.430 1 1 236 . 5 1 1 A 26 26 LEU H H 26 7.991 7.811 0.180 1 1 237 . 5 1 1 A 26 26 LEU HA H 26 4.990 4.837 0.153 1 1 247 . 5 1 1 A 26 26 LEU C C 26 174.135 175.034 -0.899 1 1 248 . 5 1 1 A 26 26 LEU CA C 26 53.906 53.535 0.371 1 1 249 . 5 1 1 A 26 26 LEU CB C 26 45.939 44.688 1.251 1 1 253 . 5 1 1 A 26 26 LEU N N 26 122.133 122.538 -0.405 1 1 254 . 5 1 1 A 27 27 THR H H 27 8.657 8.823 -0.166 1 1 255 . 5 1 1 A 27 27 THR HA H 27 4.662 5.113 -0.451 1 1 260 . 5 1 1 A 27 27 THR C C 27 174.074 173.613 0.461 1 1 261 . 5 1 1 A 27 27 THR CA C 27 61.382 61.585 -0.203 1 1 262 . 5 1 1 A 27 27 THR CB C 27 70.010 71.398 -1.388 1 1 264 . 5 1 1 A 27 27 THR N N 27 121.262 122.367 -1.105 1 1 265 . 5 1 1 A 28 28 LEU H H 28 9.692 8.992 0.700 1 1 266 . 5 1 1 A 28 28 LEU HA H 28 5.297 5.109 0.188 1 1 276 . 5 1 1 A 28 28 LEU C C 28 175.414 175.822 -0.408 1 1 277 . 5 1 1 A 28 28 LEU CA C 28 53.219 53.210 0.009 1 1 278 . 5 1 1 A 28 28 LEU CB C 28 45.049 43.971 1.078 1 1 282 . 5 1 1 A 28 28 LEU N N 28 128.374 126.219 2.155 1 1 283 . 5 1 1 A 29 29 GLY H H 29 8.818 8.725 0.093 1 1 284 . 5 1 1 A 29 29 GLY HA2 H 29 4.089 4.094 -0.005 1 1 285 . 5 1 1 A 29 29 GLY HA3 H 29 3.664 4.129 -0.465 1 1 286 . 5 1 1 A 29 29 GLY C C 29 171.700 174.147 -2.447 1 1 287 . 5 1 1 A 29 29 GLY CA C 29 44.086 44.979 -0.893 1 1 288 . 5 1 1 A 29 29 GLY N N 29 106.574 112.522 -5.948 1 1 289 . 5 1 1 A 30 30 GLY H H 30 8.339 8.166 0.173 1 1 290 . 5 1 1 A 30 30 GLY HA2 H 30 4.434 4.023 0.411 1 1 291 . 5 1 1 A 30 30 GLY HA3 H 30 3.554 4.073 -0.519 1 1 292 . 5 1 1 A 30 30 GLY C C 30 174.290 173.216 1.074 1 1 293 . 5 1 1 A 30 30 GLY CA C 30 44.879 44.611 0.268 1 1 294 . 5 1 1 A 30 30 GLY N N 30 107.245 111.311 -4.066 1 1 295 . 5 1 1 A 31 31 GLY H H 31 7.292 8.273 -0.981 1 1 296 . 5 1 1 A 31 31 GLY HA2 H 31 4.439 4.095 0.344 1 1 297 . 5 1 1 A 31 31 GLY HA3 H 31 4.000 4.118 -0.118 1 1 298 . 5 1 1 A 31 31 GLY C C 31 174.513 173.417 1.096 1 1 299 . 5 1 1 A 31 31 GLY CA C 31 43.589 44.619 -1.030 1 1 300 . 5 1 1 A 31 31 GLY N N 31 107.984 108.264 -0.280 1 1 301 . 5 1 1 A 32 32 ARG H H 32 8.065 8.429 -0.364 1 1 302 . 5 1 1 A 32 32 ARG HA H 32 4.380 4.531 -0.151 1 1 309 . 5 1 1 A 32 32 ARG C C 32 176.139 174.952 1.187 1 1 310 . 5 1 1 A 32 32 ARG CA C 32 57.354 55.768 1.586 1 1 311 . 5 1 1 A 32 32 ARG CB C 32 30.080 30.951 -0.871 1 1 314 . 5 1 1 A 32 32 ARG N N 32 121.733 121.894 -0.161 1 1 315 . 5 1 1 A 33 33 ASP H H 33 8.916 9.116 -0.200 1 1 316 . 5 1 1 A 33 33 ASP HA H 33 4.799 4.968 -0.169 1 1 319 . 5 1 1 A 33 33 ASP C C 33 176.381 176.798 -0.417 1 1 320 . 5 1 1 A 33 33 ASP CA C 33 53.783 52.886 0.897 1 1 321 . 5 1 1 A 33 33 ASP CB C 33 43.712 43.659 0.053 1 1 322 . 5 1 1 A 33 33 ASP N N 33 126.313 127.474 -1.161 1 1 323 . 5 1 1 A 34 34 VAL H H 34 8.372 8.811 -0.439 1 1 324 . 5 1 1 A 34 34 VAL HA H 34 3.943 3.688 0.255 1 1 329 . 5 1 1 A 34 34 VAL C C 34 176.591 177.131 -0.540 1 1 330 . 5 1 1 A 34 34 VAL CA C 34 64.644 65.790 -1.146 1 1 331 . 5 1 1 A 34 34 VAL CB C 34 31.796 31.654 0.142 1 1 333 . 5 1 1 A 34 34 VAL N N 34 121.465 122.219 -0.754 1 1 334 . 5 1 1 A 35 35 ALA H H 35 8.577 7.754 0.823 1 1 335 . 5 1 1 A 35 35 ALA HA H 35 4.386 4.313 0.073 1 1 339 . 5 1 1 A 35 35 ALA C C 35 177.532 177.392 0.140 1 1 340 . 5 1 1 A 35 35 ALA CA C 35 52.589 53.120 -0.531 1 1 341 . 5 1 1 A 35 35 ALA CB C 35 19.095 19.888 -0.793 1 1 342 . 5 1 1 A 35 35 ALA N N 35 123.222 121.385 1.837 1 1 343 . 5 1 1 A 36 36 GLY H H 36 7.816 7.495 0.321 1 1 344 . 5 1 1 A 36 36 GLY HA2 H 36 4.274 3.968 0.306 1 1 345 . 5 1 1 A 36 36 GLY HA3 H 36 3.723 3.972 -0.249 1 1 346 . 5 1 1 A 36 36 GLY C C 36 172.610 171.356 1.254 1 1 347 . 5 1 1 A 36 36 GLY CA C 36 45.161 45.721 -0.560 1 1 348 . 5 1 1 A 36 36 GLY N N 36 107.925 102.972 4.953 1 1 349 . 5 1 1 A 37 37 ASP H H 37 8.604 8.584 0.020 1 1 350 . 5 1 1 A 37 37 ASP HA H 37 4.810 5.646 -0.836 1 1 353 . 5 1 1 A 37 37 ASP C C 37 176.081 174.048 2.033 1 1 354 . 5 1 1 A 37 37 ASP CA C 37 54.700 53.114 1.586 1 1 355 . 5 1 1 A 37 37 ASP CB C 37 41.076 45.079 -4.003 1 1 356 . 5 1 1 A 37 37 ASP N N 37 124.969 119.935 5.034 1 1 357 . 5 1 1 A 38 38 THR H H 38 7.679 8.793 -1.114 1 1 358 . 5 1 1 A 38 38 THR HA H 38 4.704 4.850 -0.146 1 1 363 . 5 1 1 A 38 38 THR C C 38 172.712 171.064 1.648 1 1 364 . 5 1 1 A 38 38 THR CA C 38 59.810 58.737 1.073 1 1 365 . 5 1 1 A 38 38 THR CB C 38 70.420 70.356 0.064 1 1 367 . 5 1 1 A 38 38 THR N N 38 116.498 113.828 2.670 1 1 368 . 5 1 1 A 39 39 PRO HA H 39 4.305 4.686 -0.381 1 1 375 . 5 1 1 A 39 39 PRO C C 39 176.355 176.883 -0.528 1 1 376 . 5 1 1 A 39 39 PRO CA C 39 63.304 62.650 0.654 1 1 377 . 5 1 1 A 39 39 PRO CB C 39 32.703 31.645 1.058 1 1 380 . 5 1 1 A 40 40 LEU H H 40 8.247 8.158 0.089 1 1 381 . 5 1 1 A 40 40 LEU HA H 40 4.704 4.224 0.480 1 1 391 . 5 1 1 A 40 40 LEU C C 40 176.631 177.284 -0.653 1 1 392 . 5 1 1 A 40 40 LEU CA C 40 55.352 55.236 0.116 1 1 393 . 5 1 1 A 40 40 LEU CB C 40 42.524 41.963 0.561 1 1 397 . 5 1 1 A 40 40 LEU N N 40 125.558 124.274 1.284 1 1 398 . 5 1 1 A 41 41 ALA H H 41 8.856 8.729 0.127 1 1 399 . 5 1 1 A 41 41 ALA HA H 41 5.465 4.928 0.537 1 1 403 . 5 1 1 A 41 41 ALA C C 41 176.658 176.441 0.217 1 1 404 . 5 1 1 A 41 41 ALA CA C 41 50.503 50.775 -0.272 1 1 405 . 5 1 1 A 41 41 ALA CB C 41 24.074 23.007 1.067 1 1 406 . 5 1 1 A 41 41 ALA N N 41 128.426 126.249 2.177 1 1 407 . 5 1 1 A 42 42 VAL H H 42 9.160 9.199 -0.039 1 1 408 . 5 1 1 A 42 42 VAL HA H 42 3.803 4.044 -0.241 1 1 416 . 5 1 1 A 42 42 VAL C C 42 176.499 175.674 0.825 1 1 417 . 5 1 1 A 42 42 VAL CA C 42 64.196 63.750 0.446 1 1 418 . 5 1 1 A 42 42 VAL CB C 42 31.773 31.810 -0.037 1 1 421 . 5 1 1 A 42 42 VAL N N 42 119.342 122.717 -3.375 1 1 422 . 5 1 1 A 43 43 ARG H H 43 9.385 9.372 0.013 1 1 423 . 5 1 1 A 43 43 ARG HA H 43 4.527 4.390 0.137 1 1 430 . 5 1 1 A 43 43 ARG C C 43 175.332 176.108 -0.776 1 1 431 . 5 1 1 A 43 43 ARG CA C 43 55.340 57.290 -1.950 1 1 432 . 5 1 1 A 43 43 ARG CB C 43 32.242 31.732 0.510 1 1 435 . 5 1 1 A 43 43 ARG N N 43 131.043 129.138 1.905 1 1 436 . 5 1 1 A 44 44 GLY H H 44 7.872 7.460 0.412 1 1 437 . 5 1 1 A 44 44 GLY HA2 H 44 4.155 4.173 -0.018 1 1 438 . 5 1 1 A 44 44 GLY HA3 H 44 3.765 4.177 -0.412 1 1 439 . 5 1 1 A 44 44 GLY C C 44 170.284 171.647 -1.363 1 1 440 . 5 1 1 A 44 44 GLY CA C 44 45.602 43.982 1.620 1 1 441 . 5 1 1 A 44 44 GLY N N 44 107.517 107.764 -0.247 1 1 442 . 5 1 1 A 45 45 LEU H H 45 8.455 9.479 -1.024 1 1 443 . 5 1 1 A 45 45 LEU HA H 45 4.915 4.937 -0.022 1 1 453 . 5 1 1 A 45 45 LEU C C 45 175.215 176.794 -1.579 1 1 454 . 5 1 1 A 45 45 LEU CA C 45 52.795 53.944 -1.149 1 1 455 . 5 1 1 A 45 45 LEU CB C 45 44.824 43.512 1.312 1 1 459 . 5 1 1 A 45 45 LEU N N 45 121.812 124.042 -2.230 1 1 460 . 5 1 1 A 46 46 LEU H H 46 7.582 8.833 -1.251 1 1 461 . 5 1 1 A 46 46 LEU HA H 46 4.208 4.346 -0.138 1 1 471 . 5 1 1 A 46 46 LEU C C 46 177.935 176.495 1.440 1 1 472 . 5 1 1 A 46 46 LEU CA C 46 54.984 56.176 -1.192 1 1 473 . 5 1 1 A 46 46 LEU CB C 46 42.815 42.545 0.270 1 1 477 . 5 1 1 A 46 46 LEU N N 46 124.670 128.479 -3.809 1 1 478 . 5 1 1 A 47 47 LYS H H 47 8.959 8.645 0.314 1 1 479 . 5 1 1 A 47 47 LYS HA H 47 3.875 4.219 -0.344 1 1 488 . 5 1 1 A 47 47 LYS C C 47 176.699 177.095 -0.396 1 1 489 . 5 1 1 A 47 47 LYS CA C 47 58.861 58.212 0.649 1 1 490 . 5 1 1 A 47 47 LYS CB C 47 32.076 32.221 -0.145 1 1 494 . 5 1 1 A 47 47 LYS N N 47 129.726 127.567 2.159 1 1 495 . 5 1 1 A 48 48 ASP H H 48 8.845 9.040 -0.195 1 1 496 . 5 1 1 A 48 48 ASP HA H 48 4.395 4.251 0.144 1 1 499 . 5 1 1 A 48 48 ASP C C 48 175.442 175.229 0.213 1 1 500 . 5 1 1 A 48 48 ASP CA C 48 56.632 55.107 1.525 1 1 501 . 5 1 1 A 48 48 ASP CB C 48 39.740 39.793 -0.053 1 1 502 . 5 1 1 A 48 48 ASP N N 48 119.883 125.975 -6.092 1 1 503 . 5 1 1 A 49 49 GLY H H 49 7.947 7.974 -0.027 1 1 504 . 5 1 1 A 49 49 GLY HA2 H 49 4.578 4.161 0.417 1 1 505 . 5 1 1 A 49 49 GLY HA3 H 49 3.748 4.169 -0.421 1 1 506 . 5 1 1 A 49 49 GLY C C 49 172.008 174.789 -2.781 1 1 507 . 5 1 1 A 49 49 GLY CA C 49 45.000 43.782 1.218 1 1 508 . 5 1 1 A 49 49 GLY N N 49 106.565 107.650 -1.085 1 1 509 . 5 1 1 A 50 50 PRO HA H 50 4.268 4.374 -0.106 1 1 516 . 5 1 1 A 50 50 PRO C C 50 179.273 178.683 0.590 1 1 517 . 5 1 1 A 50 50 PRO CA C 50 65.791 65.124 0.667 1 1 518 . 5 1 1 A 50 50 PRO CB C 50 32.532 32.023 0.509 1 1 521 . 5 1 1 A 51 51 ALA H H 51 7.805 8.207 -0.402 1 1 522 . 5 1 1 A 51 51 ALA HA H 51 4.167 4.132 0.035 1 1 526 . 5 1 1 A 51 51 ALA C C 51 178.947 179.887 -0.940 1 1 527 . 5 1 1 A 51 51 ALA CA C 51 55.079 55.173 -0.094 1 1 528 . 5 1 1 A 51 51 ALA CB C 51 18.988 18.430 0.558 1 1 529 . 5 1 1 A 51 51 ALA N N 51 119.037 119.374 -0.337 1 1 530 . 5 1 1 A 52 52 GLN H H 52 9.614 8.058 1.556 1 1 531 . 5 1 1 A 52 52 GLN HA H 52 3.969 3.978 -0.009 1 1 538 . 5 1 1 A 52 52 GLN C C 52 178.509 178.330 0.179 1 1 539 . 5 1 1 A 52 52 GLN CA C 52 59.529 59.242 0.287 1 1 540 . 5 1 1 A 52 52 GLN CB C 52 29.107 28.493 0.614 1 1 542 . 5 1 1 A 52 52 GLN N N 52 122.017 118.080 3.937 1 1 544 . 5 1 1 A 53 53 ARG H H 53 8.524 8.138 0.386 1 1 545 . 5 1 1 A 53 53 ARG HA H 53 3.996 4.092 -0.096 1 1 552 . 5 1 1 A 53 53 ARG C C 53 178.479 179.059 -0.580 1 1 553 . 5 1 1 A 53 53 ARG CA C 53 58.825 59.555 -0.730 1 1 554 . 5 1 1 A 53 53 ARG CB C 53 30.546 30.062 0.484 1 1 557 . 5 1 1 A 53 53 ARG N N 53 116.703 118.824 -2.121 1 1 558 . 5 1 1 A 54 54 CYS H H 54 7.589 7.692 -0.103 1 1 559 . 5 1 1 A 54 54 CYS HA H 54 4.641 4.342 0.299 1 1 562 . 5 1 1 A 54 54 CYS C C 54 175.840 175.329 0.511 1 1 563 . 5 1 1 A 54 54 CYS CA C 54 59.724 60.516 -0.792 1 1 564 . 5 1 1 A 54 54 CYS CB C 54 27.419 27.762 -0.343 1 1 565 . 5 1 1 A 54 54 CYS N N 54 113.424 118.053 -4.629 1 1 566 . 5 1 1 A 55 55 GLY H H 55 7.436 7.403 0.033 1 1 567 . 5 1 1 A 55 55 GLY HA2 H 55 4.082 3.955 0.127 1 1 568 . 5 1 1 A 55 55 GLY HA3 H 55 4.082 3.963 0.119 1 1 569 . 5 1 1 A 55 55 GLY C C 55 174.435 175.799 -1.364 1 1 570 . 5 1 1 A 55 55 GLY CA C 55 46.977 45.441 1.536 1 1 571 . 5 1 1 A 55 55 GLY N N 55 109.572 108.605 0.967 1 1 572 . 5 1 1 A 56 56 ARG H H 56 7.860 8.180 -0.320 1 1 573 . 5 1 1 A 56 56 ARG HA H 56 4.472 3.992 0.480 1 1 580 . 5 1 1 A 56 56 ARG C C 56 174.959 176.900 -1.941 1 1 581 . 5 1 1 A 56 56 ARG CA C 56 55.687 58.747 -3.060 1 1 582 . 5 1 1 A 56 56 ARG CB C 56 32.785 30.218 2.567 1 1 585 . 5 1 1 A 56 56 ARG N N 56 118.137 120.069 -1.932 1 1 586 . 5 1 1 A 57 57 LEU H H 57 8.219 8.074 0.145 1 1 587 . 5 1 1 A 57 57 LEU HA H 57 4.926 4.792 0.134 1 1 597 . 5 1 1 A 57 57 LEU C C 57 175.333 176.127 -0.794 1 1 598 . 5 1 1 A 57 57 LEU CA C 57 53.043 53.760 -0.717 1 1 599 . 5 1 1 A 57 57 LEU CB C 57 46.459 42.675 3.784 1 1 603 . 5 1 1 A 57 57 LEU N N 57 117.496 120.140 -2.644 1 1 604 . 5 1 1 A 58 58 GLU H H 58 9.053 8.685 0.368 1 1 605 . 5 1 1 A 58 58 GLU HA H 58 4.460 4.917 -0.457 1 1 610 . 5 1 1 A 58 58 GLU C C 58 175.683 176.145 -0.462 1 1 611 . 5 1 1 A 58 58 GLU CA C 58 54.144 54.100 0.044 1 1 612 . 5 1 1 A 58 58 GLU CB C 58 33.286 33.809 -0.523 1 1 614 . 5 1 1 A 58 58 GLU N N 58 121.883 123.057 -1.174 1 1 615 . 5 1 1 A 59 59 VAL H H 59 8.727 8.563 0.164 1 1 616 . 5 1 1 A 59 59 VAL HA H 59 3.213 3.808 -0.595 1 1 624 . 5 1 1 A 59 59 VAL C C 59 177.728 176.991 0.737 1 1 625 . 5 1 1 A 59 59 VAL CA C 59 65.823 65.566 0.257 1 1 626 . 5 1 1 A 59 59 VAL CB C 59 31.151 31.291 -0.140 1 1 629 . 5 1 1 A 59 59 VAL N N 59 121.698 122.421 -0.723 1 1 630 . 5 1 1 A 60 60 GLY H H 60 9.172 8.891 0.281 1 1 631 . 5 1 1 A 60 60 GLY HA2 H 60 4.500 4.001 0.499 1 1 632 . 5 1 1 A 60 60 GLY HA3 H 60 3.469 4.006 -0.537 1 1 633 . 5 1 1 A 60 60 GLY C C 60 173.646 174.289 -0.643 1 1 634 . 5 1 1 A 60 60 GLY CA C 60 44.148 45.100 -0.952 1 1 635 . 5 1 1 A 60 60 GLY N N 60 117.734 115.354 2.380 1 1 636 . 5 1 1 A 61 61 ASP H H 61 7.877 7.852 0.025 1 1 637 . 5 1 1 A 61 61 ASP HA H 61 4.551 4.694 -0.143 1 1 640 . 5 1 1 A 61 61 ASP C C 61 175.437 175.381 0.056 1 1 641 . 5 1 1 A 61 61 ASP CA C 61 56.057 54.132 1.925 1 1 642 . 5 1 1 A 61 61 ASP CB C 61 40.660 41.797 -1.137 1 1 643 . 5 1 1 A 61 61 ASP N N 61 121.399 120.969 0.430 1 1 644 . 5 1 1 A 62 62 LEU H H 62 8.773 8.539 0.234 1 1 645 . 5 1 1 A 62 62 LEU HA H 62 4.713 4.916 -0.203 1 1 655 . 5 1 1 A 62 62 LEU C C 62 176.560 175.313 1.247 1 1 656 . 5 1 1 A 62 62 LEU CA C 62 54.259 53.588 0.671 1 1 657 . 5 1 1 A 62 62 LEU CB C 62 42.022 43.725 -1.703 1 1 661 . 5 1 1 A 62 62 LEU N N 62 120.566 121.681 -1.115 1 1 662 . 5 1 1 A 63 63 VAL H H 63 8.121 8.825 -0.704 1 1 663 . 5 1 1 A 63 63 VAL HA H 63 4.113 4.135 -0.022 1 1 671 . 5 1 1 A 63 63 VAL C C 63 175.468 175.417 0.051 1 1 672 . 5 1 1 A 63 63 VAL CA C 63 61.763 62.708 -0.945 1 1 673 . 5 1 1 A 63 63 VAL CB C 63 31.413 31.608 -0.195 1 1 676 . 5 1 1 A 63 63 VAL N N 63 121.172 125.005 -3.833 1 1 677 . 5 1 1 A 64 64 LEU H H 64 9.077 8.782 0.295 1 1 678 . 5 1 1 A 64 64 LEU HA H 64 4.113 4.242 -0.129 1 1 688 . 5 1 1 A 64 64 LEU C C 64 177.611 176.292 1.319 1 1 689 . 5 1 1 A 64 64 LEU CA C 64 56.614 55.280 1.334 1 1 690 . 5 1 1 A 64 64 LEU CB C 64 42.994 42.637 0.357 1 1 694 . 5 1 1 A 64 64 LEU N N 64 130.175 127.807 2.368 1 1 695 . 5 1 1 A 65 65 HIS H H 65 7.510 7.590 -0.080 1 1 696 . 5 1 1 A 65 65 HIS HA H 65 5.297 5.177 0.120 1 1 701 . 5 1 1 A 65 65 HIS C C 65 174.833 173.335 1.498 1 1 702 . 5 1 1 A 65 65 HIS CA C 65 55.715 54.488 1.227 1 1 703 . 5 1 1 A 65 65 HIS CB C 65 35.813 34.395 1.418 1 1 706 . 5 1 1 A 65 65 HIS N N 65 115.096 114.580 0.516 1 1 707 . 5 1 1 A 66 66 ILE H H 66 8.675 8.288 0.387 1 1 708 . 5 1 1 A 66 66 ILE HA H 66 4.320 4.460 -0.140 1 1 718 . 5 1 1 A 66 66 ILE C C 66 175.571 175.987 -0.416 1 1 719 . 5 1 1 A 66 66 ILE CA C 66 60.510 60.193 0.317 1 1 720 . 5 1 1 A 66 66 ILE CB C 66 41.360 40.633 0.727 1 1 724 . 5 1 1 A 66 66 ILE N N 66 119.474 119.657 -0.183 1 1 725 . 5 1 1 A 67 67 ASN H H 67 10.170 9.565 0.605 1 1 726 . 5 1 1 A 67 67 ASN HA H 67 4.595 4.602 -0.007 1 1 731 . 5 1 1 A 67 67 ASN C C 67 175.349 175.621 -0.272 1 1 732 . 5 1 1 A 67 67 ASN CA C 67 54.589 54.589 0.000 1 1 733 . 5 1 1 A 67 67 ASN CB C 67 37.267 37.209 0.058 1 1 734 . 5 1 1 A 67 67 ASN N N 67 129.216 127.401 1.815 1 1 736 . 5 1 1 A 68 68 GLY H H 68 9.396 8.812 0.584 1 1 737 . 5 1 1 A 68 68 GLY HA2 H 68 4.155 3.898 0.257 1 1 738 . 5 1 1 A 68 68 GLY HA3 H 68 3.585 3.911 -0.326 1 1 739 . 5 1 1 A 68 68 GLY C C 68 173.920 173.816 0.104 1 1 740 . 5 1 1 A 68 68 GLY CA C 68 45.267 45.973 -0.706 1 1 741 . 5 1 1 A 68 68 GLY N N 68 104.067 104.677 -0.610 1 1 742 . 5 1 1 A 69 69 GLU H H 69 7.815 8.098 -0.283 1 1 743 . 5 1 1 A 69 69 GLU HA H 69 4.619 4.774 -0.155 1 1 748 . 5 1 1 A 69 69 GLU C C 69 175.696 174.969 0.727 1 1 749 . 5 1 1 A 69 69 GLU CA C 69 54.803 54.345 0.458 1 1 750 . 5 1 1 A 69 69 GLU CB C 69 32.281 32.761 -0.480 1 1 752 . 5 1 1 A 69 69 GLU N N 69 121.337 119.603 1.734 1 1 753 . 5 1 1 A 70 70 SER H H 70 8.867 8.686 0.181 1 1 754 . 5 1 1 A 70 70 SER HA H 70 4.411 5.298 -0.887 1 1 757 . 5 1 1 A 70 70 SER C C 70 176.409 175.872 0.537 1 1 758 . 5 1 1 A 70 70 SER CA C 70 58.034 56.817 1.217 1 1 759 . 5 1 1 A 70 70 SER CB C 70 63.432 64.284 -0.852 1 1 760 . 5 1 1 A 70 70 SER N N 70 119.566 113.933 5.633 1 1 761 . 5 1 1 A 71 71 THR H H 71 7.914 8.871 -0.957 1 1 762 . 5 1 1 A 71 71 THR HA H 71 4.162 4.014 0.148 1 1 767 . 5 1 1 A 71 71 THR C C 71 175.433 176.489 -1.056 1 1 768 . 5 1 1 A 71 71 THR CA C 71 60.921 65.713 -4.792 1 1 769 . 5 1 1 A 71 71 THR CB C 71 68.671 68.381 0.290 1 1 771 . 5 1 1 A 71 71 THR N N 71 114.514 117.848 -3.334 1 1 772 . 5 1 1 A 72 72 GLN H H 72 8.131 8.233 -0.102 1 1 773 . 5 1 1 A 72 72 GLN HA H 72 4.020 3.991 0.029 1 1 780 . 5 1 1 A 72 72 GLN C C 72 176.950 178.402 -1.452 1 1 781 . 5 1 1 A 72 72 GLN CA C 72 58.361 59.740 -1.379 1 1 782 . 5 1 1 A 72 72 GLN CB C 72 28.079 28.209 -0.130 1 1 784 . 5 1 1 A 72 72 GLN N N 72 124.809 121.375 3.434 1 1 786 . 5 1 1 A 73 73 GLY H H 73 9.025 8.004 1.021 1 1 787 . 5 1 1 A 73 73 GLY HA2 H 73 4.092 3.980 0.112 1 1 788 . 5 1 1 A 73 73 GLY HA3 H 73 3.754 3.980 -0.226 1 1 789 . 5 1 1 A 73 73 GLY C C 73 173.971 173.875 0.096 1 1 790 . 5 1 1 A 73 73 GLY CA C 73 45.373 45.208 0.165 1 1 791 . 5 1 1 A 73 73 GLY N N 73 114.015 106.526 7.489 1 1 792 . 5 1 1 A 74 74 LEU H H 74 7.672 7.818 -0.146 1 1 793 . 5 1 1 A 74 74 LEU HA H 74 4.768 4.986 -0.218 1 1 803 . 5 1 1 A 74 74 LEU C C 74 179.964 176.154 3.810 1 1 804 . 5 1 1 A 74 74 LEU CA C 74 54.682 53.062 1.620 1 1 805 . 5 1 1 A 74 74 LEU CB C 74 42.355 44.911 -2.556 1 1 809 . 5 1 1 A 74 74 LEU N N 74 118.933 120.783 -1.850 1 1 810 . 5 1 1 A 75 75 THR H H 75 8.911 8.478 0.433 1 1 811 . 5 1 1 A 75 75 THR HA H 75 4.799 4.888 -0.089 1 1 816 . 5 1 1 A 75 75 THR C C 75 174.971 175.660 -0.689 1 1 817 . 5 1 1 A 75 75 THR CA C 75 60.571 59.959 0.612 1 1 818 . 5 1 1 A 75 75 THR CB C 75 71.058 71.559 -0.501 1 1 820 . 5 1 1 A 75 75 THR N N 75 113.687 111.857 1.830 1 1 821 . 5 1 1 A 76 76 HIS H H 76 9.474 8.755 0.719 1 1 822 . 5 1 1 A 76 76 HIS HA H 76 3.997 4.119 -0.122 1 1 826 . 5 1 1 A 76 76 HIS C C 76 176.917 176.781 0.136 1 1 827 . 5 1 1 A 76 76 HIS CA C 76 61.208 60.980 0.228 1 1 828 . 5 1 1 A 76 76 HIS CB C 76 29.729 30.333 -0.604 1 1 830 . 5 1 1 A 76 76 HIS N N 76 122.022 121.702 0.320 1 1 831 . 5 1 1 A 77 77 ALA H H 77 8.457 7.964 0.493 1 1 832 . 5 1 1 A 77 77 ALA HA H 77 3.946 3.593 0.353 1 1 836 . 5 1 1 A 77 77 ALA C C 77 181.502 179.952 1.550 1 1 837 . 5 1 1 A 77 77 ALA CA C 77 55.282 55.048 0.234 1 1 838 . 5 1 1 A 77 77 ALA CB C 77 18.162 18.592 -0.430 1 1 839 . 5 1 1 A 77 77 ALA N N 77 119.389 120.984 -1.595 1 1 840 . 5 1 1 A 78 78 GLN H H 78 7.991 8.189 -0.198 1 1 841 . 5 1 1 A 78 78 GLN HA H 78 4.029 3.978 0.051 1 1 848 . 5 1 1 A 78 78 GLN C C 78 179.215 178.322 0.893 1 1 849 . 5 1 1 A 78 78 GLN CA C 78 58.562 59.224 -0.662 1 1 850 . 5 1 1 A 78 78 GLN CB C 78 29.592 28.333 1.259 1 1 852 . 5 1 1 A 78 78 GLN N N 78 117.510 117.306 0.204 1 1 854 . 5 1 1 A 79 79 ALA H H 79 8.367 7.864 0.503 1 1 855 . 5 1 1 A 79 79 ALA HA H 79 3.775 4.068 -0.293 1 1 859 . 5 1 1 A 79 79 ALA C C 79 178.754 180.031 -1.277 1 1 860 . 5 1 1 A 79 79 ALA CA C 79 55.828 55.176 0.652 1 1 861 . 5 1 1 A 79 79 ALA CB C 79 18.733 18.583 0.150 1 1 862 . 5 1 1 A 79 79 ALA N N 79 123.463 122.199 1.264 1 1 863 . 5 1 1 A 80 80 VAL H H 80 8.228 7.963 0.265 1 1 864 . 5 1 1 A 80 80 VAL HA H 80 3.510 3.496 0.014 1 1 872 . 5 1 1 A 80 80 VAL C C 80 179.087 178.494 0.593 1 1 873 . 5 1 1 A 80 80 VAL CA C 80 66.912 66.720 0.192 1 1 874 . 5 1 1 A 80 80 VAL CB C 80 31.781 31.590 0.191 1 1 877 . 5 1 1 A 80 80 VAL N N 80 116.720 118.066 -1.346 1 1 878 . 5 1 1 A 81 81 GLU H H 81 7.834 7.928 -0.094 1 1 879 . 5 1 1 A 81 81 GLU HA H 81 4.195 4.010 0.185 1 1 884 . 5 1 1 A 81 81 GLU C C 81 178.847 178.363 0.484 1 1 885 . 5 1 1 A 81 81 GLU CA C 81 59.100 59.490 -0.390 1 1 886 . 5 1 1 A 81 81 GLU CB C 81 28.818 29.158 -0.340 1 1 888 . 5 1 1 A 81 81 GLU N N 81 121.198 119.282 1.916 1 1 889 . 5 1 1 A 82 82 ARG H H 82 8.004 8.311 -0.307 1 1 890 . 5 1 1 A 82 82 ARG HA H 82 4.021 4.058 -0.037 1 1 897 . 5 1 1 A 82 82 ARG C C 82 179.863 178.853 1.010 1 1 898 . 5 1 1 A 82 82 ARG CA C 82 58.487 59.082 -0.595 1 1 899 . 5 1 1 A 82 82 ARG CB C 82 29.026 30.058 -1.032 1 1 902 . 5 1 1 A 82 82 ARG N N 82 119.267 118.087 1.180 1 1 903 . 5 1 1 A 83 83 ILE H H 83 7.875 7.313 0.562 1 1 904 . 5 1 1 A 83 83 ILE HA H 83 3.467 3.837 -0.370 1 1 914 . 5 1 1 A 83 83 ILE C C 83 179.211 178.259 0.952 1 1 915 . 5 1 1 A 83 83 ILE CA C 83 65.491 64.998 0.493 1 1 916 . 5 1 1 A 83 83 ILE CB C 83 38.055 37.702 0.353 1 1 920 . 5 1 1 A 83 83 ILE N N 83 120.039 121.171 -1.132 1 1 921 . 5 1 1 A 84 84 ARG H H 84 8.207 8.035 0.172 1 1 922 . 5 1 1 A 84 84 ARG HA H 84 4.125 4.199 -0.074 1 1 929 . 5 1 1 A 84 84 ARG C C 84 179.062 177.349 1.713 1 1 930 . 5 1 1 A 84 84 ARG CA C 84 59.643 58.684 0.959 1 1 931 . 5 1 1 A 84 84 ARG CB C 84 30.197 30.090 0.107 1 1 934 . 5 1 1 A 84 84 ARG N N 84 121.315 120.769 0.546 1 1 935 . 5 1 1 A 85 85 ALA H H 85 8.366 8.403 -0.037 1 1 936 . 5 1 1 A 85 85 ALA HA H 85 4.241 4.307 -0.066 1 1 940 . 5 1 1 A 85 85 ALA C C 85 179.042 178.967 0.075 1 1 941 . 5 1 1 A 85 85 ALA CA C 85 53.695 52.628 1.067 1 1 942 . 5 1 1 A 85 85 ALA CB C 85 18.806 19.142 -0.336 1 1 943 . 5 1 1 A 85 85 ALA N N 85 120.166 121.637 -1.471 1 1 944 . 5 1 1 A 86 86 GLY H H 86 7.470 8.627 -1.157 1 1 945 . 5 1 1 A 86 86 GLY HA2 H 86 4.134 3.987 0.147 1 1 946 . 5 1 1 A 86 86 GLY HA3 H 86 4.134 4.008 0.126 1 1 947 . 5 1 1 A 86 86 GLY C C 86 174.699 174.841 -0.142 1 1 948 . 5 1 1 A 86 86 GLY CA C 86 45.902 46.986 -1.084 1 1 949 . 5 1 1 A 86 86 GLY N N 86 104.067 106.423 -2.356 1 1 950 . 5 1 1 A 87 87 GLY H H 87 7.688 7.831 -0.143 1 1 951 . 5 1 1 A 87 87 GLY HA2 H 87 4.528 4.127 0.401 1 1 952 . 5 1 1 A 87 87 GLY HA3 H 87 3.835 4.132 -0.297 1 1 953 . 5 1 1 A 87 87 GLY C C 87 173.611 174.057 -0.446 1 1 954 . 5 1 1 A 87 87 GLY CA C 87 44.677 44.177 0.500 1 1 955 . 5 1 1 A 87 87 GLY N N 87 107.458 106.174 1.284 1 1 956 . 5 1 1 A 88 88 PRO HA H 88 4.306 4.457 -0.151 1 1 963 . 5 1 1 A 88 88 PRO C C 88 175.247 176.440 -1.193 1 1 964 . 5 1 1 A 88 88 PRO CA C 88 64.596 64.170 0.426 1 1 965 . 5 1 1 A 88 88 PRO CB C 88 32.405 32.150 0.255 1 1 968 . 5 1 1 A 89 89 GLN H H 89 7.606 8.144 -0.538 1 1 969 . 5 1 1 A 89 89 GLN HA H 89 5.343 4.989 0.354 1 1 976 . 5 1 1 A 89 89 GLN C C 89 173.750 174.477 -0.727 1 1 977 . 5 1 1 A 89 89 GLN CA C 89 54.626 54.689 -0.063 1 1 978 . 5 1 1 A 89 89 GLN CB C 89 31.870 31.451 0.419 1 1 980 . 5 1 1 A 89 89 GLN N N 89 116.964 118.698 -1.734 1 1 982 . 5 1 1 A 90 90 LEU H H 90 8.610 8.497 0.113 1 1 983 . 5 1 1 A 90 90 LEU HA H 90 4.757 4.778 -0.021 1 1 993 . 5 1 1 A 90 90 LEU C C 90 173.607 175.326 -1.719 1 1 994 . 5 1 1 A 90 90 LEU CA C 90 53.730 53.658 0.072 1 1 995 . 5 1 1 A 90 90 LEU CB C 90 45.549 43.816 1.733 1 1 999 . 5 1 1 A 90 90 LEU N N 90 124.460 127.296 -2.836 1 1 1000 . 5 1 1 A 91 91 HIS H H 91 8.826 8.899 -0.073 1 1 1001 . 5 1 1 A 91 91 HIS HA H 91 5.207 5.589 -0.382 1 1 1006 . 5 1 1 A 91 91 HIS C C 91 174.745 173.352 1.393 1 1 1007 . 5 1 1 A 91 91 HIS CA C 91 55.093 54.130 0.963 1 1 1008 . 5 1 1 A 91 91 HIS CB C 91 32.686 33.138 -0.452 1 1 1011 . 5 1 1 A 91 91 HIS N N 91 126.871 126.338 0.533 1 1 1012 . 5 1 1 A 92 92 LEU H H 92 9.024 8.362 0.662 1 1 1013 . 5 1 1 A 92 92 LEU HA H 92 5.203 4.729 0.474 1 1 1023 . 5 1 1 A 92 92 LEU C C 92 175.889 175.589 0.300 1 1 1024 . 5 1 1 A 92 92 LEU CA C 92 52.955 53.940 -0.985 1 1 1025 . 5 1 1 A 92 92 LEU CB C 92 46.233 44.817 1.416 1 1 1029 . 5 1 1 A 92 92 LEU N N 92 125.837 128.610 -2.773 1 1 1030 . 5 1 1 A 93 93 VAL H H 93 7.739 8.808 -1.069 1 1 1031 . 5 1 1 A 93 93 VAL HA H 93 4.568 4.483 0.085 1 1 1039 . 5 1 1 A 93 93 VAL C C 93 174.538 175.187 -0.649 1 1 1040 . 5 1 1 A 93 93 VAL CA C 93 62.666 62.596 0.070 1 1 1041 . 5 1 1 A 93 93 VAL CB C 93 32.838 31.216 1.622 1 1 1044 . 5 1 1 A 93 93 VAL N N 93 120.566 125.186 -4.620 1 1 1045 . 5 1 1 A 94 94 ILE H H 94 8.965 8.567 0.398 1 1 1046 . 5 1 1 A 94 94 ILE HA H 94 5.152 4.817 0.335 1 1 1056 . 5 1 1 A 94 94 ILE C C 94 174.723 174.161 0.562 1 1 1057 . 5 1 1 A 94 94 ILE CA C 94 56.360 59.082 -2.722 1 1 1058 . 5 1 1 A 94 94 ILE CB C 94 39.214 41.309 -2.095 1 1 1062 . 5 1 1 A 94 94 ILE N N 94 128.952 127.581 1.371 1 1 1063 . 5 1 1 A 95 95 ARG H H 95 8.286 8.277 0.009 1 1 1064 . 5 1 1 A 95 95 ARG HA H 95 4.715 4.453 0.262 1 1 1071 . 5 1 1 A 95 95 ARG C C 95 173.665 174.974 -1.309 1 1 1072 . 5 1 1 A 95 95 ARG CA C 95 54.982 54.458 0.524 1 1 1073 . 5 1 1 A 95 95 ARG CB C 95 34.833 31.827 3.006 1 1 1076 . 5 1 1 A 95 95 ARG N N 95 120.920 126.938 -6.018 1 1 1077 . 5 1 1 A 96 96 ARG H H 96 9.238 8.826 0.412 1 1 1078 . 5 1 1 A 96 96 ARG HA H 96 4.984 4.333 0.651 1 1 1086 . 5 1 1 A 96 96 ARG C C 96 174.582 174.866 -0.284 1 1 1087 . 5 1 1 A 96 96 ARG CA C 96 53.219 54.487 -1.268 1 1 1088 . 5 1 1 A 96 96 ARG CB C 96 31.369 31.447 -0.078 1 1 1091 . 5 1 1 A 96 96 ARG N N 96 129.955 128.727 1.228 1 1 1093 . 5 1 1 A 97 97 PRO HA H 97 4.424 4.637 -0.213 1 1 1100 . 5 1 1 A 97 97 PRO C C 97 176.289 175.429 0.860 1 1 1101 . 5 1 1 A 97 97 PRO CA C 97 63.322 62.285 1.037 1 1 1102 . 5 1 1 A 97 97 PRO CB C 97 32.240 32.966 -0.726 1 1 1105 . 5 1 1 A 98 98 LEU H H 98 8.325 8.447 -0.122 1 1 1106 . 5 1 1 A 98 98 LEU HA H 98 4.399 4.594 -0.195 1 1 1116 . 5 1 1 A 98 98 LEU C C 98 177.395 175.779 1.616 1 1 1117 . 5 1 1 A 98 98 LEU CA C 98 55.165 54.158 1.007 1 1 1118 . 5 1 1 A 98 98 LEU CB C 98 42.419 40.861 1.558 1 1 1122 . 5 1 1 A 98 98 LEU N N 98 122.396 122.848 -0.452 1 1 1123 . 5 1 1 A 99 99 SER H H 99 8.333 8.782 -0.449 1 1 1124 . 5 1 1 A 99 99 SER HA H 99 4.483 4.904 -0.421 1 1 1127 . 5 1 1 A 99 99 SER C C 99 174.489 174.420 0.069 1 1 1128 . 5 1 1 A 99 99 SER CA C 99 58.138 57.292 0.846 1 1 1129 . 5 1 1 A 99 99 SER CB C 99 63.846 63.426 0.420 1 1 1130 . 5 1 1 A 99 99 SER N N 99 116.892 123.186 -6.294 1 1 1131 . 5 1 1 A 100 100 GLY H H 100 8.253 8.459 -0.206 1 1 1132 . 5 1 1 A 100 100 GLY HA2 H 100 4.177 4.093 0.084 1 1 1133 . 5 1 1 A 100 100 GLY HA3 H 100 4.101 4.094 0.007 1 1 1134 . 5 1 1 A 100 100 GLY C C 100 171.838 174.392 -2.554 1 1 1135 . 5 1 1 A 100 100 GLY CA C 100 44.679 45.725 -1.046 1 1 1136 . 5 1 1 A 100 100 GLY N N 100 110.703 113.530 -2.827 1 1 1137 . 5 1 1 A 101 101 PRO HA H 101 4.480 4.438 0.042 1 1 1144 . 5 1 1 A 101 101 PRO C C 101 177.411 177.193 0.218 1 1 1145 . 5 1 1 A 101 101 PRO CA C 101 63.312 63.511 -0.199 1 1 1146 . 5 1 1 A 101 101 PRO CB C 101 32.158 31.353 0.805 1 1 1149 . 5 1 1 A 102 102 SER H H 102 8.517 8.564 -0.047 1 1 1150 . 5 1 1 A 102 102 SER C C 102 174.655 173.054 1.601 1 1 1151 . 5 1 1 A 102 102 SER CA C 102 58.438 59.110 -0.672 1 1 1152 . 5 1 1 A 102 102 SER CB C 102 63.970 61.978 1.992 1 1 1 . 6 1 1 A 2 2 SER HA H 2 4.493 4.682 -0.189 1 1 4 . 6 1 1 A 2 2 SER C C 2 174.671 175.363 -0.692 1 1 5 . 6 1 1 A 2 2 SER CA C 2 58.438 57.171 1.267 1 1 6 . 6 1 1 A 2 2 SER CB C 2 63.558 61.406 2.152 1 1 7 . 6 1 1 A 3 3 SER H H 3 8.324 8.122 0.202 1 1 8 . 6 1 1 A 3 3 SER HA H 3 4.493 4.226 0.267 1 1 11 . 6 1 1 A 3 3 SER C C 3 173.918 175.228 -1.310 1 1 12 . 6 1 1 A 3 3 SER CA C 3 58.455 61.394 -2.939 1 1 13 . 6 1 1 A 3 3 SER CB C 3 63.929 63.199 0.730 1 1 14 . 6 1 1 A 3 3 SER N N 3 117.862 119.184 -1.322 1 1 15 . 6 1 1 A 4 4 GLY H H 4 8.045 7.859 0.186 1 1 16 . 6 1 1 A 4 4 GLY C C 4 179.001 171.931 7.070 1 1 17 . 6 1 1 A 4 4 GLY CA C 4 46.201 44.047 2.154 1 1 18 . 6 1 1 A 4 4 GLY N N 4 116.862 109.468 7.394 1 1 19 . 6 1 1 A 6 6 SER HA H 6 4.461 5.299 -0.838 1 1 22 . 6 1 1 A 6 6 SER C C 6 175.170 173.994 1.176 1 1 23 . 6 1 1 A 6 6 SER CA C 6 58.755 56.370 2.385 1 1 24 . 6 1 1 A 6 6 SER CB C 6 63.862 66.378 -2.516 1 1 25 . 6 1 1 A 7 7 GLY H H 7 8.432 8.309 0.123 1 1 26 . 6 1 1 A 7 7 GLY HA2 H 7 3.966 3.984 -0.018 1 1 27 . 6 1 1 A 7 7 GLY C C 7 174.309 174.406 -0.097 1 1 28 . 6 1 1 A 7 7 GLY CA C 7 45.408 45.465 -0.057 1 1 29 . 6 1 1 A 7 7 GLY N N 7 110.678 114.042 -3.364 1 1 30 . 6 1 1 A 8 8 GLN H H 8 8.210 7.753 0.457 1 1 31 . 6 1 1 A 8 8 GLN HA H 8 4.324 4.640 -0.316 1 1 38 . 6 1 1 A 8 8 GLN C C 8 176.037 174.746 1.291 1 1 39 . 6 1 1 A 8 8 GLN CA C 8 55.970 55.189 0.781 1 1 40 . 6 1 1 A 8 8 GLN CB C 8 29.562 29.800 -0.238 1 1 42 . 6 1 1 A 8 8 GLN N N 8 119.977 117.997 1.980 1 1 44 . 6 1 1 A 9 9 ALA H H 9 8.394 8.658 -0.264 1 1 45 . 6 1 1 A 9 9 ALA HA H 9 4.319 4.978 -0.659 1 1 49 . 6 1 1 A 9 9 ALA C C 9 177.635 175.478 2.157 1 1 50 . 6 1 1 A 9 9 ALA CA C 9 52.531 51.769 0.762 1 1 51 . 6 1 1 A 9 9 ALA CB C 9 19.136 20.361 -1.225 1 1 52 . 6 1 1 A 9 9 ALA N N 9 125.301 125.557 -0.256 1 1 53 . 6 1 1 A 10 10 SER H H 10 8.259 8.853 -0.594 1 1 54 . 6 1 1 A 10 10 SER HA H 10 4.440 4.871 -0.431 1 1 57 . 6 1 1 A 10 10 SER C C 10 175.138 174.179 0.959 1 1 58 . 6 1 1 A 10 10 SER CA C 10 58.649 57.051 1.598 1 1 59 . 6 1 1 A 10 10 SER CB C 10 63.888 64.258 -0.370 1 1 60 . 6 1 1 A 10 10 SER N N 10 114.874 119.793 -4.919 1 1 61 . 6 1 1 A 11 11 GLY H H 11 8.493 8.330 0.163 1 1 62 . 6 1 1 A 11 11 GLY HA2 H 11 4.039 4.022 0.017 1 1 63 . 6 1 1 A 11 11 GLY HA3 H 11 4.039 4.163 -0.124 1 1 64 . 6 1 1 A 11 11 GLY C C 11 173.678 172.873 0.805 1 1 65 . 6 1 1 A 11 11 GLY CA C 11 45.531 45.111 0.420 1 1 66 . 6 1 1 A 11 11 GLY N N 11 110.301 114.108 -3.807 1 1 67 . 6 1 1 A 12 12 HIS H H 12 7.970 8.179 -0.209 1 1 68 . 6 1 1 A 12 12 HIS HA H 12 5.442 4.840 0.602 1 1 73 . 6 1 1 A 12 12 HIS C C 12 175.304 175.232 0.072 1 1 74 . 6 1 1 A 12 12 HIS CA C 12 55.095 56.083 -0.988 1 1 75 . 6 1 1 A 12 12 HIS CB C 12 31.849 32.468 -0.619 1 1 78 . 6 1 1 A 12 12 HIS N N 12 119.432 121.891 -2.459 1 1 79 . 6 1 1 A 13 13 PHE H H 13 8.940 8.312 0.628 1 1 80 . 6 1 1 A 13 13 PHE HA H 13 5.072 5.416 -0.344 1 1 88 . 6 1 1 A 13 13 PHE C C 13 172.688 173.020 -0.332 1 1 89 . 6 1 1 A 13 13 PHE CA C 13 56.269 55.580 0.689 1 1 90 . 6 1 1 A 13 13 PHE CB C 13 40.835 42.267 -1.432 1 1 96 . 6 1 1 A 13 13 PHE N N 13 118.413 117.920 0.493 1 1 97 . 6 1 1 A 14 14 SER H H 14 8.709 9.167 -0.458 1 1 98 . 6 1 1 A 14 14 SER HA H 14 5.580 5.306 0.274 1 1 101 . 6 1 1 A 14 14 SER C C 14 174.119 174.209 -0.090 1 1 102 . 6 1 1 A 14 14 SER CA C 14 56.974 55.870 1.104 1 1 103 . 6 1 1 A 14 14 SER CB C 14 65.778 65.607 0.171 1 1 104 . 6 1 1 A 14 14 SER N N 14 115.082 114.436 0.646 1 1 105 . 6 1 1 A 15 15 VAL H H 15 8.801 8.305 0.496 1 1 106 . 6 1 1 A 15 15 VAL HA H 15 4.373 4.610 -0.237 1 1 114 . 6 1 1 A 15 15 VAL C C 15 173.002 173.885 -0.883 1 1 115 . 6 1 1 A 15 15 VAL CA C 15 61.312 61.155 0.157 1 1 116 . 6 1 1 A 15 15 VAL CB C 15 36.461 34.110 2.351 1 1 119 . 6 1 1 A 15 15 VAL N N 15 121.148 121.554 -0.406 1 1 120 . 6 1 1 A 16 16 GLU H H 16 8.383 9.045 -0.662 1 1 121 . 6 1 1 A 16 16 GLU HA H 16 5.299 5.546 -0.247 1 1 126 . 6 1 1 A 16 16 GLU C C 16 175.408 175.144 0.264 1 1 127 . 6 1 1 A 16 16 GLU CA C 16 54.594 54.726 -0.132 1 1 128 . 6 1 1 A 16 16 GLU CB C 16 31.993 33.171 -1.178 1 1 130 . 6 1 1 A 16 16 GLU N N 16 125.925 129.095 -3.170 1 1 131 . 6 1 1 A 17 17 LEU H H 17 9.172 9.024 0.148 1 1 132 . 6 1 1 A 17 17 LEU HA H 17 5.000 5.134 -0.134 1 1 142 . 6 1 1 A 17 17 LEU C C 17 175.596 175.911 -0.315 1 1 143 . 6 1 1 A 17 17 LEU CA C 17 52.919 53.501 -0.582 1 1 144 . 6 1 1 A 17 17 LEU CB C 17 47.317 46.787 0.530 1 1 148 . 6 1 1 A 17 17 LEU N N 17 122.761 126.736 -3.975 1 1 149 . 6 1 1 A 18 18 VAL H H 18 8.546 8.763 -0.217 1 1 150 . 6 1 1 A 18 18 VAL HA H 18 4.831 4.753 0.078 1 1 158 . 6 1 1 A 18 18 VAL C C 18 175.783 176.046 -0.263 1 1 159 . 6 1 1 A 18 18 VAL CA C 18 61.277 61.175 0.102 1 1 160 . 6 1 1 A 18 18 VAL CB C 18 33.600 34.221 -0.621 1 1 163 . 6 1 1 A 18 18 VAL N N 18 122.523 121.797 0.726 1 1 164 . 6 1 1 A 19 19 ARG H H 19 8.495 8.190 0.305 1 1 165 . 6 1 1 A 19 19 ARG HA H 19 2.868 3.658 -0.790 1 1 172 . 6 1 1 A 19 19 ARG C C 19 176.248 176.020 0.228 1 1 173 . 6 1 1 A 19 19 ARG CA C 19 58.138 56.450 1.688 1 1 174 . 6 1 1 A 19 19 ARG CB C 19 30.839 30.218 0.621 1 1 177 . 6 1 1 A 19 19 ARG N N 19 127.015 127.751 -0.736 1 1 178 . 6 1 1 A 20 20 GLY H H 20 7.244 8.072 -0.828 1 1 179 . 6 1 1 A 20 20 GLY HA2 H 20 4.504 4.032 0.472 1 1 180 . 6 1 1 A 20 20 GLY HA3 H 20 3.750 4.052 -0.302 1 1 181 . 6 1 1 A 20 20 GLY C C 20 175.286 172.842 2.444 1 1 182 . 6 1 1 A 20 20 GLY CA C 20 44.131 44.674 -0.543 1 1 183 . 6 1 1 A 20 20 GLY N N 20 112.266 112.511 -0.245 1 1 184 . 6 1 1 A 21 21 TYR HA H 21 4.219 4.870 -0.651 1 1 191 . 6 1 1 A 21 21 TYR C C 21 176.309 175.352 0.957 1 1 192 . 6 1 1 A 21 21 TYR CA C 21 60.518 57.495 3.023 1 1 193 . 6 1 1 A 21 21 TYR CB C 21 37.826 40.696 -2.870 1 1 198 . 6 1 1 A 22 22 ALA H H 22 8.272 8.625 -0.353 1 1 199 . 6 1 1 A 22 22 ALA HA H 22 4.404 3.806 0.598 1 1 203 . 6 1 1 A 22 22 ALA C C 22 177.312 177.246 0.066 1 1 204 . 6 1 1 A 22 22 ALA CA C 22 50.816 53.052 -2.236 1 1 205 . 6 1 1 A 22 22 ALA CB C 22 18.455 17.884 0.571 1 1 206 . 6 1 1 A 22 22 ALA N N 22 121.539 129.391 -7.852 1 1 207 . 6 1 1 A 23 23 GLY H H 23 7.495 8.255 -0.760 1 1 208 . 6 1 1 A 23 23 GLY HA2 H 23 4.541 3.614 0.927 1 1 209 . 6 1 1 A 23 23 GLY HA3 H 23 3.238 3.761 -0.523 1 1 210 . 6 1 1 A 23 23 GLY C C 23 175.043 174.554 0.489 1 1 211 . 6 1 1 A 23 23 GLY CA C 23 44.897 46.979 -2.082 1 1 212 . 6 1 1 A 23 23 GLY N N 23 106.744 102.921 3.823 1 1 213 . 6 1 1 A 24 24 PHE H H 24 7.242 8.567 -1.325 1 1 214 . 6 1 1 A 24 24 PHE HA H 24 4.369 4.679 -0.310 1 1 222 . 6 1 1 A 24 24 PHE C C 24 175.902 176.375 -0.473 1 1 223 . 6 1 1 A 24 24 PHE CA C 24 60.347 58.103 2.244 1 1 224 . 6 1 1 A 24 24 PHE CB C 24 39.575 41.300 -1.725 1 1 230 . 6 1 1 A 25 25 GLY H H 25 8.820 8.430 0.390 1 1 231 . 6 1 1 A 25 25 GLY HA2 H 25 4.134 3.996 0.138 1 1 232 . 6 1 1 A 25 25 GLY HA3 H 25 3.913 4.010 -0.097 1 1 233 . 6 1 1 A 25 25 GLY C C 25 174.585 174.362 0.223 1 1 234 . 6 1 1 A 25 25 GLY CA C 25 47.030 46.202 0.828 1 1 235 . 6 1 1 A 25 25 GLY N N 25 107.899 109.217 -1.318 1 1 236 . 6 1 1 A 26 26 LEU H H 26 7.991 7.842 0.149 1 1 237 . 6 1 1 A 26 26 LEU HA H 26 4.990 4.825 0.165 1 1 247 . 6 1 1 A 26 26 LEU C C 26 174.135 175.146 -1.011 1 1 248 . 6 1 1 A 26 26 LEU CA C 26 53.906 53.633 0.273 1 1 249 . 6 1 1 A 26 26 LEU CB C 26 45.939 44.412 1.527 1 1 253 . 6 1 1 A 26 26 LEU N N 26 122.133 122.692 -0.559 1 1 254 . 6 1 1 A 27 27 THR H H 27 8.657 8.679 -0.022 1 1 255 . 6 1 1 A 27 27 THR HA H 27 4.662 5.199 -0.537 1 1 260 . 6 1 1 A 27 27 THR C C 27 174.074 173.286 0.788 1 1 261 . 6 1 1 A 27 27 THR CA C 27 61.382 61.366 0.016 1 1 262 . 6 1 1 A 27 27 THR CB C 27 70.010 71.861 -1.851 1 1 264 . 6 1 1 A 27 27 THR N N 27 121.262 121.730 -0.468 1 1 265 . 6 1 1 A 28 28 LEU H H 28 9.692 9.080 0.612 1 1 266 . 6 1 1 A 28 28 LEU HA H 28 5.297 5.136 0.161 1 1 276 . 6 1 1 A 28 28 LEU C C 28 175.414 175.691 -0.277 1 1 277 . 6 1 1 A 28 28 LEU CA C 28 53.219 53.060 0.159 1 1 278 . 6 1 1 A 28 28 LEU CB C 28 45.049 44.837 0.212 1 1 282 . 6 1 1 A 28 28 LEU N N 28 128.374 125.246 3.128 1 1 283 . 6 1 1 A 29 29 GLY H H 29 8.818 8.493 0.325 1 1 284 . 6 1 1 A 29 29 GLY HA2 H 29 4.089 4.131 -0.042 1 1 285 . 6 1 1 A 29 29 GLY HA3 H 29 3.664 4.178 -0.514 1 1 286 . 6 1 1 A 29 29 GLY C C 29 171.700 174.487 -2.787 1 1 287 . 6 1 1 A 29 29 GLY CA C 29 44.086 44.687 -0.601 1 1 288 . 6 1 1 A 29 29 GLY N N 29 106.574 112.401 -5.827 1 1 289 . 6 1 1 A 30 30 GLY H H 30 8.339 8.095 0.244 1 1 290 . 6 1 1 A 30 30 GLY HA2 H 30 4.434 4.065 0.369 1 1 291 . 6 1 1 A 30 30 GLY HA3 H 30 3.554 4.078 -0.524 1 1 292 . 6 1 1 A 30 30 GLY C C 30 174.290 173.764 0.526 1 1 293 . 6 1 1 A 30 30 GLY CA C 30 44.879 44.589 0.290 1 1 294 . 6 1 1 A 30 30 GLY N N 30 107.245 112.208 -4.963 1 1 295 . 6 1 1 A 31 31 GLY H H 31 7.292 8.558 -1.266 1 1 296 . 6 1 1 A 31 31 GLY HA2 H 31 4.439 4.034 0.405 1 1 297 . 6 1 1 A 31 31 GLY HA3 H 31 4.000 4.059 -0.059 1 1 298 . 6 1 1 A 31 31 GLY C C 31 174.513 173.514 0.999 1 1 299 . 6 1 1 A 31 31 GLY CA C 31 43.589 44.936 -1.347 1 1 300 . 6 1 1 A 31 31 GLY N N 31 107.984 108.741 -0.757 1 1 301 . 6 1 1 A 32 32 ARG H H 32 8.065 8.370 -0.305 1 1 302 . 6 1 1 A 32 32 ARG HA H 32 4.380 4.446 -0.066 1 1 309 . 6 1 1 A 32 32 ARG C C 32 176.139 174.562 1.577 1 1 310 . 6 1 1 A 32 32 ARG CA C 32 57.354 56.318 1.036 1 1 311 . 6 1 1 A 32 32 ARG CB C 32 30.080 30.814 -0.734 1 1 314 . 6 1 1 A 32 32 ARG N N 32 121.733 121.495 0.238 1 1 315 . 6 1 1 A 33 33 ASP H H 33 8.916 8.461 0.455 1 1 316 . 6 1 1 A 33 33 ASP HA H 33 4.799 5.088 -0.289 1 1 319 . 6 1 1 A 33 33 ASP C C 33 176.381 176.598 -0.217 1 1 320 . 6 1 1 A 33 33 ASP CA C 33 53.783 52.391 1.392 1 1 321 . 6 1 1 A 33 33 ASP CB C 33 43.712 43.301 0.411 1 1 322 . 6 1 1 A 33 33 ASP N N 33 126.313 126.436 -0.123 1 1 323 . 6 1 1 A 34 34 VAL H H 34 8.372 8.652 -0.280 1 1 324 . 6 1 1 A 34 34 VAL HA H 34 3.943 3.899 0.044 1 1 329 . 6 1 1 A 34 34 VAL C C 34 176.591 176.748 -0.157 1 1 330 . 6 1 1 A 34 34 VAL CA C 34 64.644 64.630 0.014 1 1 331 . 6 1 1 A 34 34 VAL CB C 34 31.796 31.942 -0.146 1 1 333 . 6 1 1 A 34 34 VAL N N 34 121.465 124.966 -3.501 1 1 334 . 6 1 1 A 35 35 ALA H H 35 8.577 7.581 0.996 1 1 335 . 6 1 1 A 35 35 ALA HA H 35 4.386 4.397 -0.011 1 1 339 . 6 1 1 A 35 35 ALA C C 35 177.532 176.506 1.026 1 1 340 . 6 1 1 A 35 35 ALA CA C 35 52.589 51.601 0.988 1 1 341 . 6 1 1 A 35 35 ALA CB C 35 19.095 19.334 -0.239 1 1 342 . 6 1 1 A 35 35 ALA N N 35 123.222 121.899 1.323 1 1 343 . 6 1 1 A 36 36 GLY H H 36 7.816 7.285 0.531 1 1 344 . 6 1 1 A 36 36 GLY HA2 H 36 4.274 4.040 0.234 1 1 345 . 6 1 1 A 36 36 GLY HA3 H 36 3.723 4.042 -0.319 1 1 346 . 6 1 1 A 36 36 GLY C C 36 172.610 172.355 0.255 1 1 347 . 6 1 1 A 36 36 GLY CA C 36 45.161 45.199 -0.038 1 1 348 . 6 1 1 A 36 36 GLY N N 36 107.925 106.857 1.068 1 1 349 . 6 1 1 A 37 37 ASP H H 37 8.604 8.926 -0.322 1 1 350 . 6 1 1 A 37 37 ASP HA H 37 4.810 5.548 -0.738 1 1 353 . 6 1 1 A 37 37 ASP C C 37 176.081 175.008 1.073 1 1 354 . 6 1 1 A 37 37 ASP CA C 37 54.700 52.740 1.960 1 1 355 . 6 1 1 A 37 37 ASP CB C 37 41.076 42.141 -1.065 1 1 356 . 6 1 1 A 37 37 ASP N N 37 124.969 120.918 4.051 1 1 357 . 6 1 1 A 38 38 THR H H 38 7.679 8.511 -0.832 1 1 358 . 6 1 1 A 38 38 THR HA H 38 4.704 5.066 -0.362 1 1 363 . 6 1 1 A 38 38 THR C C 38 172.712 171.803 0.909 1 1 364 . 6 1 1 A 38 38 THR CA C 38 59.810 58.262 1.548 1 1 365 . 6 1 1 A 38 38 THR CB C 38 70.420 70.222 0.198 1 1 367 . 6 1 1 A 38 38 THR N N 38 116.498 114.653 1.845 1 1 368 . 6 1 1 A 39 39 PRO HA H 39 4.305 4.568 -0.263 1 1 375 . 6 1 1 A 39 39 PRO C C 39 176.355 176.940 -0.585 1 1 376 . 6 1 1 A 39 39 PRO CA C 39 63.304 62.740 0.564 1 1 377 . 6 1 1 A 39 39 PRO CB C 39 32.703 31.650 1.053 1 1 380 . 6 1 1 A 40 40 LEU H H 40 8.247 8.145 0.102 1 1 381 . 6 1 1 A 40 40 LEU HA H 40 4.704 4.202 0.502 1 1 391 . 6 1 1 A 40 40 LEU C C 40 176.631 177.067 -0.436 1 1 392 . 6 1 1 A 40 40 LEU CA C 40 55.352 55.388 -0.036 1 1 393 . 6 1 1 A 40 40 LEU CB C 40 42.524 41.696 0.828 1 1 397 . 6 1 1 A 40 40 LEU N N 40 125.558 123.968 1.590 1 1 398 . 6 1 1 A 41 41 ALA H H 41 8.856 8.738 0.118 1 1 399 . 6 1 1 A 41 41 ALA HA H 41 5.465 5.301 0.164 1 1 403 . 6 1 1 A 41 41 ALA C C 41 176.658 176.615 0.043 1 1 404 . 6 1 1 A 41 41 ALA CA C 41 50.503 50.532 -0.029 1 1 405 . 6 1 1 A 41 41 ALA CB C 41 24.074 23.124 0.950 1 1 406 . 6 1 1 A 41 41 ALA N N 41 128.426 126.206 2.220 1 1 407 . 6 1 1 A 42 42 VAL H H 42 9.160 8.368 0.792 1 1 408 . 6 1 1 A 42 42 VAL HA H 42 3.803 4.044 -0.241 1 1 416 . 6 1 1 A 42 42 VAL C C 42 176.499 175.766 0.733 1 1 417 . 6 1 1 A 42 42 VAL CA C 42 64.196 63.742 0.454 1 1 418 . 6 1 1 A 42 42 VAL CB C 42 31.773 31.780 -0.007 1 1 421 . 6 1 1 A 42 42 VAL N N 42 119.342 123.031 -3.689 1 1 422 . 6 1 1 A 43 43 ARG H H 43 9.385 9.073 0.312 1 1 423 . 6 1 1 A 43 43 ARG HA H 43 4.527 4.335 0.192 1 1 430 . 6 1 1 A 43 43 ARG C C 43 175.332 176.190 -0.858 1 1 431 . 6 1 1 A 43 43 ARG CA C 43 55.340 57.730 -2.390 1 1 432 . 6 1 1 A 43 43 ARG CB C 43 32.242 31.526 0.716 1 1 435 . 6 1 1 A 43 43 ARG N N 43 131.043 129.124 1.919 1 1 436 . 6 1 1 A 44 44 GLY H H 44 7.872 7.831 0.041 1 1 437 . 6 1 1 A 44 44 GLY HA2 H 44 4.155 4.190 -0.035 1 1 438 . 6 1 1 A 44 44 GLY HA3 H 44 3.765 4.193 -0.428 1 1 439 . 6 1 1 A 44 44 GLY C C 44 170.284 171.731 -1.447 1 1 440 . 6 1 1 A 44 44 GLY CA C 44 45.602 43.992 1.610 1 1 441 . 6 1 1 A 44 44 GLY N N 44 107.517 107.650 -0.133 1 1 442 . 6 1 1 A 45 45 LEU H H 45 8.455 9.493 -1.038 1 1 443 . 6 1 1 A 45 45 LEU HA H 45 4.915 4.941 -0.026 1 1 453 . 6 1 1 A 45 45 LEU C C 45 175.215 176.801 -1.586 1 1 454 . 6 1 1 A 45 45 LEU CA C 45 52.795 53.935 -1.140 1 1 455 . 6 1 1 A 45 45 LEU CB C 45 44.824 43.495 1.329 1 1 459 . 6 1 1 A 45 45 LEU N N 45 121.812 123.320 -1.508 1 1 460 . 6 1 1 A 46 46 LEU H H 46 7.582 8.738 -1.156 1 1 461 . 6 1 1 A 46 46 LEU HA H 46 4.208 4.313 -0.105 1 1 471 . 6 1 1 A 46 46 LEU C C 46 177.935 176.347 1.588 1 1 472 . 6 1 1 A 46 46 LEU CA C 46 54.984 56.142 -1.158 1 1 473 . 6 1 1 A 46 46 LEU CB C 46 42.815 42.809 0.006 1 1 477 . 6 1 1 A 46 46 LEU N N 46 124.670 128.538 -3.868 1 1 478 . 6 1 1 A 47 47 LYS H H 47 8.959 8.667 0.292 1 1 479 . 6 1 1 A 47 47 LYS HA H 47 3.875 3.888 -0.013 1 1 488 . 6 1 1 A 47 47 LYS C C 47 176.699 177.111 -0.412 1 1 489 . 6 1 1 A 47 47 LYS CA C 47 58.861 58.191 0.670 1 1 490 . 6 1 1 A 47 47 LYS CB C 47 32.076 32.152 -0.076 1 1 494 . 6 1 1 A 47 47 LYS N N 47 129.726 126.639 3.087 1 1 495 . 6 1 1 A 48 48 ASP H H 48 8.845 9.075 -0.230 1 1 496 . 6 1 1 A 48 48 ASP HA H 48 4.395 4.239 0.156 1 1 499 . 6 1 1 A 48 48 ASP C C 48 175.442 175.368 0.074 1 1 500 . 6 1 1 A 48 48 ASP CA C 48 56.632 55.125 1.507 1 1 501 . 6 1 1 A 48 48 ASP CB C 48 39.740 39.804 -0.064 1 1 502 . 6 1 1 A 48 48 ASP N N 48 119.883 126.086 -6.203 1 1 503 . 6 1 1 A 49 49 GLY H H 49 7.947 7.597 0.350 1 1 504 . 6 1 1 A 49 49 GLY HA2 H 49 4.578 4.150 0.428 1 1 505 . 6 1 1 A 49 49 GLY HA3 H 49 3.748 4.150 -0.402 1 1 506 . 6 1 1 A 49 49 GLY C C 49 172.008 174.754 -2.746 1 1 507 . 6 1 1 A 49 49 GLY CA C 49 45.000 43.876 1.124 1 1 508 . 6 1 1 A 49 49 GLY N N 49 106.565 107.974 -1.409 1 1 509 . 6 1 1 A 50 50 PRO HA H 50 4.268 4.421 -0.153 1 1 516 . 6 1 1 A 50 50 PRO C C 50 179.273 178.304 0.969 1 1 517 . 6 1 1 A 50 50 PRO CA C 50 65.791 64.892 0.899 1 1 518 . 6 1 1 A 50 50 PRO CB C 50 32.532 32.071 0.461 1 1 521 . 6 1 1 A 51 51 ALA H H 51 7.805 8.208 -0.403 1 1 522 . 6 1 1 A 51 51 ALA HA H 51 4.167 4.146 0.021 1 1 526 . 6 1 1 A 51 51 ALA C C 51 178.947 179.620 -0.673 1 1 527 . 6 1 1 A 51 51 ALA CA C 51 55.079 55.227 -0.148 1 1 528 . 6 1 1 A 51 51 ALA CB C 51 18.988 18.897 0.091 1 1 529 . 6 1 1 A 51 51 ALA N N 51 119.037 119.847 -0.810 1 1 530 . 6 1 1 A 52 52 GLN H H 52 9.614 8.067 1.547 1 1 531 . 6 1 1 A 52 52 GLN HA H 52 3.969 3.989 -0.020 1 1 538 . 6 1 1 A 52 52 GLN C C 52 178.509 178.206 0.303 1 1 539 . 6 1 1 A 52 52 GLN CA C 52 59.529 59.215 0.314 1 1 540 . 6 1 1 A 52 52 GLN CB C 52 29.107 28.319 0.788 1 1 542 . 6 1 1 A 52 52 GLN N N 52 122.017 118.108 3.909 1 1 544 . 6 1 1 A 53 53 ARG H H 53 8.524 7.791 0.733 1 1 545 . 6 1 1 A 53 53 ARG HA H 53 3.996 4.110 -0.114 1 1 552 . 6 1 1 A 53 53 ARG C C 53 178.479 178.842 -0.363 1 1 553 . 6 1 1 A 53 53 ARG CA C 53 58.825 59.447 -0.622 1 1 554 . 6 1 1 A 53 53 ARG CB C 53 30.546 30.518 0.028 1 1 557 . 6 1 1 A 53 53 ARG N N 53 116.703 119.207 -2.504 1 1 558 . 6 1 1 A 54 54 CYS H H 54 7.589 7.349 0.240 1 1 559 . 6 1 1 A 54 54 CYS HA H 54 4.641 4.284 0.357 1 1 562 . 6 1 1 A 54 54 CYS C C 54 175.840 175.060 0.780 1 1 563 . 6 1 1 A 54 54 CYS CA C 54 59.724 60.284 -0.560 1 1 564 . 6 1 1 A 54 54 CYS CB C 54 27.419 28.103 -0.684 1 1 565 . 6 1 1 A 54 54 CYS N N 54 113.424 118.645 -5.221 1 1 566 . 6 1 1 A 55 55 GLY H H 55 7.436 7.514 -0.078 1 1 567 . 6 1 1 A 55 55 GLY HA2 H 55 4.082 3.966 0.116 1 1 568 . 6 1 1 A 55 55 GLY HA3 H 55 4.082 3.974 0.108 1 1 569 . 6 1 1 A 55 55 GLY C C 55 174.435 175.818 -1.383 1 1 570 . 6 1 1 A 55 55 GLY CA C 55 46.977 45.446 1.531 1 1 571 . 6 1 1 A 55 55 GLY N N 55 109.572 108.500 1.072 1 1 572 . 6 1 1 A 56 56 ARG H H 56 7.860 8.066 -0.206 1 1 573 . 6 1 1 A 56 56 ARG HA H 56 4.472 3.989 0.483 1 1 580 . 6 1 1 A 56 56 ARG C C 56 174.959 176.780 -1.821 1 1 581 . 6 1 1 A 56 56 ARG CA C 56 55.687 58.808 -3.121 1 1 582 . 6 1 1 A 56 56 ARG CB C 56 32.785 30.337 2.448 1 1 585 . 6 1 1 A 56 56 ARG N N 56 118.137 120.127 -1.990 1 1 586 . 6 1 1 A 57 57 LEU H H 57 8.219 8.024 0.195 1 1 587 . 6 1 1 A 57 57 LEU HA H 57 4.926 4.805 0.121 1 1 597 . 6 1 1 A 57 57 LEU C C 57 175.333 175.913 -0.580 1 1 598 . 6 1 1 A 57 57 LEU CA C 57 53.043 53.509 -0.466 1 1 599 . 6 1 1 A 57 57 LEU CB C 57 46.459 43.348 3.111 1 1 603 . 6 1 1 A 57 57 LEU N N 57 117.496 120.368 -2.872 1 1 604 . 6 1 1 A 58 58 GLU H H 58 9.053 9.174 -0.121 1 1 605 . 6 1 1 A 58 58 GLU HA H 58 4.460 4.919 -0.459 1 1 610 . 6 1 1 A 58 58 GLU C C 58 175.683 176.196 -0.513 1 1 611 . 6 1 1 A 58 58 GLU CA C 58 54.144 54.190 -0.046 1 1 612 . 6 1 1 A 58 58 GLU CB C 58 33.286 33.825 -0.539 1 1 614 . 6 1 1 A 58 58 GLU N N 58 121.883 123.089 -1.206 1 1 615 . 6 1 1 A 59 59 VAL H H 59 8.727 8.563 0.164 1 1 616 . 6 1 1 A 59 59 VAL HA H 59 3.213 3.522 -0.309 1 1 624 . 6 1 1 A 59 59 VAL C C 59 177.728 177.058 0.670 1 1 625 . 6 1 1 A 59 59 VAL CA C 59 65.823 65.686 0.137 1 1 626 . 6 1 1 A 59 59 VAL CB C 59 31.151 31.335 -0.184 1 1 629 . 6 1 1 A 59 59 VAL N N 59 121.698 122.448 -0.750 1 1 630 . 6 1 1 A 60 60 GLY H H 60 9.172 8.545 0.627 1 1 631 . 6 1 1 A 60 60 GLY HA2 H 60 4.500 4.025 0.475 1 1 632 . 6 1 1 A 60 60 GLY HA3 H 60 3.469 4.030 -0.561 1 1 633 . 6 1 1 A 60 60 GLY C C 60 173.646 174.080 -0.434 1 1 634 . 6 1 1 A 60 60 GLY CA C 60 44.148 45.026 -0.878 1 1 635 . 6 1 1 A 60 60 GLY N N 60 117.734 115.339 2.395 1 1 636 . 6 1 1 A 61 61 ASP H H 61 7.877 7.801 0.076 1 1 637 . 6 1 1 A 61 61 ASP HA H 61 4.551 4.600 -0.049 1 1 640 . 6 1 1 A 61 61 ASP C C 61 175.437 174.966 0.471 1 1 641 . 6 1 1 A 61 61 ASP CA C 61 56.057 55.409 0.648 1 1 642 . 6 1 1 A 61 61 ASP CB C 61 40.660 41.735 -1.075 1 1 643 . 6 1 1 A 61 61 ASP N N 61 121.399 121.832 -0.433 1 1 644 . 6 1 1 A 62 62 LEU H H 62 8.773 8.659 0.114 1 1 645 . 6 1 1 A 62 62 LEU HA H 62 4.713 4.850 -0.137 1 1 655 . 6 1 1 A 62 62 LEU C C 62 176.560 175.349 1.211 1 1 656 . 6 1 1 A 62 62 LEU CA C 62 54.259 53.611 0.648 1 1 657 . 6 1 1 A 62 62 LEU CB C 62 42.022 43.560 -1.538 1 1 661 . 6 1 1 A 62 62 LEU N N 62 120.566 122.483 -1.917 1 1 662 . 6 1 1 A 63 63 VAL H H 63 8.121 9.044 -0.923 1 1 663 . 6 1 1 A 63 63 VAL HA H 63 4.113 4.286 -0.173 1 1 671 . 6 1 1 A 63 63 VAL C C 63 175.468 175.406 0.062 1 1 672 . 6 1 1 A 63 63 VAL CA C 63 61.763 62.534 -0.771 1 1 673 . 6 1 1 A 63 63 VAL CB C 63 31.413 31.992 -0.579 1 1 676 . 6 1 1 A 63 63 VAL N N 63 121.172 124.466 -3.294 1 1 677 . 6 1 1 A 64 64 LEU H H 64 9.077 8.512 0.565 1 1 678 . 6 1 1 A 64 64 LEU HA H 64 4.113 4.278 -0.165 1 1 688 . 6 1 1 A 64 64 LEU C C 64 177.611 176.056 1.555 1 1 689 . 6 1 1 A 64 64 LEU CA C 64 56.614 55.191 1.423 1 1 690 . 6 1 1 A 64 64 LEU CB C 64 42.994 42.941 0.053 1 1 694 . 6 1 1 A 64 64 LEU N N 64 130.175 127.298 2.877 1 1 695 . 6 1 1 A 65 65 HIS H H 65 7.510 7.561 -0.051 1 1 696 . 6 1 1 A 65 65 HIS HA H 65 5.297 5.177 0.120 1 1 701 . 6 1 1 A 65 65 HIS C C 65 174.833 173.761 1.072 1 1 702 . 6 1 1 A 65 65 HIS CA C 65 55.715 54.587 1.128 1 1 703 . 6 1 1 A 65 65 HIS CB C 65 35.813 34.681 1.132 1 1 706 . 6 1 1 A 65 65 HIS N N 65 115.096 115.530 -0.434 1 1 707 . 6 1 1 A 66 66 ILE H H 66 8.675 8.222 0.453 1 1 708 . 6 1 1 A 66 66 ILE HA H 66 4.320 4.413 -0.093 1 1 718 . 6 1 1 A 66 66 ILE C C 66 175.571 175.794 -0.223 1 1 719 . 6 1 1 A 66 66 ILE CA C 66 60.510 60.325 0.185 1 1 720 . 6 1 1 A 66 66 ILE CB C 66 41.360 40.941 0.419 1 1 724 . 6 1 1 A 66 66 ILE N N 66 119.474 119.357 0.117 1 1 725 . 6 1 1 A 67 67 ASN H H 67 10.170 9.416 0.754 1 1 726 . 6 1 1 A 67 67 ASN HA H 67 4.595 4.527 0.068 1 1 731 . 6 1 1 A 67 67 ASN C C 67 175.349 175.502 -0.153 1 1 732 . 6 1 1 A 67 67 ASN CA C 67 54.589 54.585 0.004 1 1 733 . 6 1 1 A 67 67 ASN CB C 67 37.267 37.441 -0.174 1 1 734 . 6 1 1 A 67 67 ASN N N 67 129.216 126.931 2.285 1 1 736 . 6 1 1 A 68 68 GLY H H 68 9.396 8.743 0.653 1 1 737 . 6 1 1 A 68 68 GLY HA2 H 68 4.155 3.875 0.280 1 1 738 . 6 1 1 A 68 68 GLY HA3 H 68 3.585 3.904 -0.319 1 1 739 . 6 1 1 A 68 68 GLY C C 68 173.920 173.799 0.121 1 1 740 . 6 1 1 A 68 68 GLY CA C 68 45.267 46.404 -1.137 1 1 741 . 6 1 1 A 68 68 GLY N N 68 104.067 103.826 0.241 1 1 742 . 6 1 1 A 69 69 GLU H H 69 7.815 8.160 -0.345 1 1 743 . 6 1 1 A 69 69 GLU HA H 69 4.619 4.786 -0.167 1 1 748 . 6 1 1 A 69 69 GLU C C 69 175.696 174.822 0.874 1 1 749 . 6 1 1 A 69 69 GLU CA C 69 54.803 54.467 0.336 1 1 750 . 6 1 1 A 69 69 GLU CB C 69 32.281 32.848 -0.567 1 1 752 . 6 1 1 A 69 69 GLU N N 69 121.337 119.486 1.851 1 1 753 . 6 1 1 A 70 70 SER H H 70 8.867 8.545 0.322 1 1 754 . 6 1 1 A 70 70 SER HA H 70 4.411 5.396 -0.985 1 1 757 . 6 1 1 A 70 70 SER C C 70 176.409 174.627 1.782 1 1 758 . 6 1 1 A 70 70 SER CA C 70 58.034 56.559 1.475 1 1 759 . 6 1 1 A 70 70 SER CB C 70 63.432 64.338 -0.906 1 1 760 . 6 1 1 A 70 70 SER N N 70 119.566 113.922 5.644 1 1 761 . 6 1 1 A 71 71 THR H H 71 7.914 9.111 -1.197 1 1 762 . 6 1 1 A 71 71 THR HA H 71 4.162 4.392 -0.230 1 1 767 . 6 1 1 A 71 71 THR C C 71 175.433 175.138 0.295 1 1 768 . 6 1 1 A 71 71 THR CA C 71 60.921 63.445 -2.524 1 1 769 . 6 1 1 A 71 71 THR CB C 71 68.671 68.829 -0.158 1 1 771 . 6 1 1 A 71 71 THR N N 71 114.514 121.159 -6.645 1 1 772 . 6 1 1 A 72 72 GLN H H 72 8.131 8.122 0.009 1 1 773 . 6 1 1 A 72 72 GLN HA H 72 4.020 3.987 0.033 1 1 780 . 6 1 1 A 72 72 GLN C C 72 176.950 177.469 -0.519 1 1 781 . 6 1 1 A 72 72 GLN CA C 72 58.361 59.646 -1.285 1 1 782 . 6 1 1 A 72 72 GLN CB C 72 28.079 28.361 -0.282 1 1 784 . 6 1 1 A 72 72 GLN N N 72 124.809 121.344 3.465 1 1 786 . 6 1 1 A 73 73 GLY H H 73 9.025 7.925 1.100 1 1 787 . 6 1 1 A 73 73 GLY HA2 H 73 4.092 4.074 0.018 1 1 788 . 6 1 1 A 73 73 GLY HA3 H 73 3.754 4.077 -0.323 1 1 789 . 6 1 1 A 73 73 GLY C C 73 173.971 173.363 0.608 1 1 790 . 6 1 1 A 73 73 GLY CA C 73 45.373 45.431 -0.058 1 1 791 . 6 1 1 A 73 73 GLY N N 73 114.015 105.970 8.045 1 1 792 . 6 1 1 A 74 74 LEU H H 74 7.672 7.236 0.436 1 1 793 . 6 1 1 A 74 74 LEU HA H 74 4.768 4.787 -0.019 1 1 803 . 6 1 1 A 74 74 LEU C C 74 179.964 176.896 3.068 1 1 804 . 6 1 1 A 74 74 LEU CA C 74 54.682 53.588 1.094 1 1 805 . 6 1 1 A 74 74 LEU CB C 74 42.355 43.594 -1.239 1 1 809 . 6 1 1 A 74 74 LEU N N 74 118.933 120.702 -1.769 1 1 810 . 6 1 1 A 75 75 THR H H 75 8.911 8.795 0.116 1 1 811 . 6 1 1 A 75 75 THR HA H 75 4.799 4.749 0.050 1 1 816 . 6 1 1 A 75 75 THR C C 75 174.971 175.526 -0.555 1 1 817 . 6 1 1 A 75 75 THR CA C 75 60.571 60.344 0.227 1 1 818 . 6 1 1 A 75 75 THR CB C 75 71.058 71.961 -0.903 1 1 820 . 6 1 1 A 75 75 THR N N 75 113.687 115.625 -1.938 1 1 821 . 6 1 1 A 76 76 HIS H H 76 9.474 9.134 0.340 1 1 822 . 6 1 1 A 76 76 HIS HA H 76 3.997 4.068 -0.071 1 1 826 . 6 1 1 A 76 76 HIS C C 76 176.917 176.744 0.173 1 1 827 . 6 1 1 A 76 76 HIS CA C 76 61.208 61.139 0.069 1 1 828 . 6 1 1 A 76 76 HIS CB C 76 29.729 30.447 -0.718 1 1 830 . 6 1 1 A 76 76 HIS N N 76 122.022 121.615 0.407 1 1 831 . 6 1 1 A 77 77 ALA H H 77 8.457 8.121 0.336 1 1 832 . 6 1 1 A 77 77 ALA HA H 77 3.946 3.789 0.157 1 1 836 . 6 1 1 A 77 77 ALA C C 77 181.502 179.628 1.874 1 1 837 . 6 1 1 A 77 77 ALA CA C 77 55.282 55.264 0.018 1 1 838 . 6 1 1 A 77 77 ALA CB C 77 18.162 17.966 0.196 1 1 839 . 6 1 1 A 77 77 ALA N N 77 119.389 120.828 -1.439 1 1 840 . 6 1 1 A 78 78 GLN H H 78 7.991 8.123 -0.132 1 1 841 . 6 1 1 A 78 78 GLN HA H 78 4.029 4.062 -0.033 1 1 848 . 6 1 1 A 78 78 GLN C C 78 179.215 178.530 0.685 1 1 849 . 6 1 1 A 78 78 GLN CA C 78 58.562 58.890 -0.328 1 1 850 . 6 1 1 A 78 78 GLN CB C 78 29.592 28.513 1.079 1 1 852 . 6 1 1 A 78 78 GLN N N 78 117.510 117.520 -0.010 1 1 854 . 6 1 1 A 79 79 ALA H H 79 8.367 8.446 -0.079 1 1 855 . 6 1 1 A 79 79 ALA HA H 79 3.775 4.063 -0.288 1 1 859 . 6 1 1 A 79 79 ALA C C 79 178.754 180.023 -1.269 1 1 860 . 6 1 1 A 79 79 ALA CA C 79 55.828 55.243 0.585 1 1 861 . 6 1 1 A 79 79 ALA CB C 79 18.733 18.688 0.045 1 1 862 . 6 1 1 A 79 79 ALA N N 79 123.463 122.256 1.207 1 1 863 . 6 1 1 A 80 80 VAL H H 80 8.228 8.153 0.075 1 1 864 . 6 1 1 A 80 80 VAL HA H 80 3.510 3.398 0.112 1 1 872 . 6 1 1 A 80 80 VAL C C 80 179.087 177.753 1.334 1 1 873 . 6 1 1 A 80 80 VAL CA C 80 66.912 66.445 0.467 1 1 874 . 6 1 1 A 80 80 VAL CB C 80 31.781 31.424 0.357 1 1 877 . 6 1 1 A 80 80 VAL N N 80 116.720 117.826 -1.106 1 1 878 . 6 1 1 A 81 81 GLU H H 81 7.834 8.536 -0.702 1 1 879 . 6 1 1 A 81 81 GLU HA H 81 4.195 3.936 0.259 1 1 884 . 6 1 1 A 81 81 GLU C C 81 178.847 178.953 -0.106 1 1 885 . 6 1 1 A 81 81 GLU CA C 81 59.100 59.847 -0.747 1 1 886 . 6 1 1 A 81 81 GLU CB C 81 28.818 29.025 -0.207 1 1 888 . 6 1 1 A 81 81 GLU N N 81 121.198 119.937 1.261 1 1 889 . 6 1 1 A 82 82 ARG H H 82 8.004 7.935 0.069 1 1 890 . 6 1 1 A 82 82 ARG HA H 82 4.021 4.029 -0.008 1 1 897 . 6 1 1 A 82 82 ARG C C 82 179.863 178.542 1.321 1 1 898 . 6 1 1 A 82 82 ARG CA C 82 58.487 59.032 -0.545 1 1 899 . 6 1 1 A 82 82 ARG CB C 82 29.026 29.846 -0.820 1 1 902 . 6 1 1 A 82 82 ARG N N 82 119.267 119.036 0.231 1 1 903 . 6 1 1 A 83 83 ILE H H 83 7.875 7.912 -0.037 1 1 904 . 6 1 1 A 83 83 ILE HA H 83 3.467 3.707 -0.240 1 1 914 . 6 1 1 A 83 83 ILE C C 83 179.211 177.806 1.405 1 1 915 . 6 1 1 A 83 83 ILE CA C 83 65.491 64.576 0.915 1 1 916 . 6 1 1 A 83 83 ILE CB C 83 38.055 37.985 0.070 1 1 920 . 6 1 1 A 83 83 ILE N N 83 120.039 121.074 -1.035 1 1 921 . 6 1 1 A 84 84 ARG H H 84 8.207 8.243 -0.036 1 1 922 . 6 1 1 A 84 84 ARG HA H 84 4.125 4.095 0.030 1 1 929 . 6 1 1 A 84 84 ARG C C 84 179.062 179.311 -0.249 1 1 930 . 6 1 1 A 84 84 ARG CA C 84 59.643 59.989 -0.346 1 1 931 . 6 1 1 A 84 84 ARG CB C 84 30.197 30.143 0.054 1 1 934 . 6 1 1 A 84 84 ARG N N 84 121.315 119.801 1.514 1 1 935 . 6 1 1 A 85 85 ALA H H 85 8.366 8.297 0.069 1 1 936 . 6 1 1 A 85 85 ALA HA H 85 4.241 4.059 0.182 1 1 940 . 6 1 1 A 85 85 ALA C C 85 179.042 179.931 -0.889 1 1 941 . 6 1 1 A 85 85 ALA CA C 85 53.695 54.911 -1.216 1 1 942 . 6 1 1 A 85 85 ALA CB C 85 18.806 18.521 0.285 1 1 943 . 6 1 1 A 85 85 ALA N N 85 120.166 122.290 -2.124 1 1 944 . 6 1 1 A 86 86 GLY H H 86 7.470 8.490 -1.020 1 1 945 . 6 1 1 A 86 86 GLY HA2 H 86 4.134 3.950 0.184 1 1 946 . 6 1 1 A 86 86 GLY HA3 H 86 4.134 3.968 0.166 1 1 947 . 6 1 1 A 86 86 GLY C C 86 174.699 174.407 0.292 1 1 948 . 6 1 1 A 86 86 GLY CA C 86 45.902 46.976 -1.074 1 1 949 . 6 1 1 A 86 86 GLY N N 86 104.067 105.706 -1.639 1 1 950 . 6 1 1 A 87 87 GLY H H 87 7.688 7.442 0.246 1 1 951 . 6 1 1 A 87 87 GLY HA2 H 87 4.528 4.124 0.404 1 1 952 . 6 1 1 A 87 87 GLY HA3 H 87 3.835 4.128 -0.293 1 1 953 . 6 1 1 A 87 87 GLY C C 87 173.611 174.061 -0.450 1 1 954 . 6 1 1 A 87 87 GLY CA C 87 44.677 44.143 0.534 1 1 955 . 6 1 1 A 87 87 GLY N N 87 107.458 106.202 1.256 1 1 956 . 6 1 1 A 88 88 PRO HA H 88 4.306 4.507 -0.201 1 1 963 . 6 1 1 A 88 88 PRO C C 88 175.247 176.478 -1.231 1 1 964 . 6 1 1 A 88 88 PRO CA C 88 64.596 64.177 0.419 1 1 965 . 6 1 1 A 88 88 PRO CB C 88 32.405 32.014 0.391 1 1 968 . 6 1 1 A 89 89 GLN H H 89 7.606 8.166 -0.560 1 1 969 . 6 1 1 A 89 89 GLN HA H 89 5.343 4.965 0.378 1 1 976 . 6 1 1 A 89 89 GLN C C 89 173.750 174.410 -0.660 1 1 977 . 6 1 1 A 89 89 GLN CA C 89 54.626 54.983 -0.357 1 1 978 . 6 1 1 A 89 89 GLN CB C 89 31.870 31.725 0.145 1 1 980 . 6 1 1 A 89 89 GLN N N 89 116.964 118.999 -2.035 1 1 982 . 6 1 1 A 90 90 LEU H H 90 8.610 8.199 0.411 1 1 983 . 6 1 1 A 90 90 LEU HA H 90 4.757 4.786 -0.029 1 1 993 . 6 1 1 A 90 90 LEU C C 90 173.607 175.329 -1.722 1 1 994 . 6 1 1 A 90 90 LEU CA C 90 53.730 53.639 0.091 1 1 995 . 6 1 1 A 90 90 LEU CB C 90 45.549 43.783 1.766 1 1 999 . 6 1 1 A 90 90 LEU N N 90 124.460 126.727 -2.267 1 1 1000 . 6 1 1 A 91 91 HIS H H 91 8.826 8.859 -0.033 1 1 1001 . 6 1 1 A 91 91 HIS HA H 91 5.207 5.663 -0.456 1 1 1006 . 6 1 1 A 91 91 HIS C C 91 174.745 173.366 1.379 1 1 1007 . 6 1 1 A 91 91 HIS CA C 91 55.093 53.805 1.288 1 1 1008 . 6 1 1 A 91 91 HIS CB C 91 32.686 32.914 -0.228 1 1 1011 . 6 1 1 A 91 91 HIS N N 91 126.871 126.510 0.361 1 1 1012 . 6 1 1 A 92 92 LEU H H 92 9.024 8.373 0.651 1 1 1013 . 6 1 1 A 92 92 LEU HA H 92 5.203 4.909 0.294 1 1 1023 . 6 1 1 A 92 92 LEU C C 92 175.889 175.180 0.709 1 1 1024 . 6 1 1 A 92 92 LEU CA C 92 52.955 53.186 -0.231 1 1 1025 . 6 1 1 A 92 92 LEU CB C 92 46.233 45.967 0.266 1 1 1029 . 6 1 1 A 92 92 LEU N N 92 125.837 128.215 -2.378 1 1 1030 . 6 1 1 A 93 93 VAL H H 93 7.739 8.623 -0.884 1 1 1031 . 6 1 1 A 93 93 VAL HA H 93 4.568 4.844 -0.276 1 1 1039 . 6 1 1 A 93 93 VAL C C 93 174.538 175.008 -0.470 1 1 1040 . 6 1 1 A 93 93 VAL CA C 93 62.666 61.547 1.119 1 1 1041 . 6 1 1 A 93 93 VAL CB C 93 32.838 32.567 0.271 1 1 1044 . 6 1 1 A 93 93 VAL N N 93 120.566 124.025 -3.459 1 1 1045 . 6 1 1 A 94 94 ILE H H 94 8.965 8.476 0.489 1 1 1046 . 6 1 1 A 94 94 ILE HA H 94 5.152 4.836 0.316 1 1 1056 . 6 1 1 A 94 94 ILE C C 94 174.723 174.280 0.443 1 1 1057 . 6 1 1 A 94 94 ILE CA C 94 56.360 58.997 -2.637 1 1 1058 . 6 1 1 A 94 94 ILE CB C 94 39.214 41.211 -1.997 1 1 1062 . 6 1 1 A 94 94 ILE N N 94 128.952 126.678 2.274 1 1 1063 . 6 1 1 A 95 95 ARG H H 95 8.286 8.431 -0.145 1 1 1064 . 6 1 1 A 95 95 ARG HA H 95 4.715 4.842 -0.127 1 1 1071 . 6 1 1 A 95 95 ARG C C 95 173.665 175.069 -1.404 1 1 1072 . 6 1 1 A 95 95 ARG CA C 95 54.982 54.516 0.466 1 1 1073 . 6 1 1 A 95 95 ARG CB C 95 34.833 33.324 1.509 1 1 1076 . 6 1 1 A 95 95 ARG N N 95 120.920 126.492 -5.572 1 1 1077 . 6 1 1 A 96 96 ARG H H 96 9.238 9.012 0.226 1 1 1078 . 6 1 1 A 96 96 ARG HA H 96 4.984 4.380 0.604 1 1 1086 . 6 1 1 A 96 96 ARG C C 96 174.582 174.667 -0.085 1 1 1087 . 6 1 1 A 96 96 ARG CA C 96 53.219 54.437 -1.218 1 1 1088 . 6 1 1 A 96 96 ARG CB C 96 31.369 31.259 0.110 1 1 1091 . 6 1 1 A 96 96 ARG N N 96 129.955 128.484 1.471 1 1 1093 . 6 1 1 A 97 97 PRO HA H 97 4.424 4.626 -0.202 1 1 1100 . 6 1 1 A 97 97 PRO C C 97 176.289 176.990 -0.701 1 1 1101 . 6 1 1 A 97 97 PRO CA C 97 63.322 62.658 0.664 1 1 1102 . 6 1 1 A 97 97 PRO CB C 97 32.240 32.448 -0.208 1 1 1105 . 6 1 1 A 98 98 LEU H H 98 8.325 8.339 -0.014 1 1 1106 . 6 1 1 A 98 98 LEU HA H 98 4.399 4.385 0.014 1 1 1116 . 6 1 1 A 98 98 LEU C C 98 177.395 176.562 0.833 1 1 1117 . 6 1 1 A 98 98 LEU CA C 98 55.165 53.967 1.198 1 1 1118 . 6 1 1 A 98 98 LEU CB C 98 42.419 43.308 -0.889 1 1 1122 . 6 1 1 A 98 98 LEU N N 98 122.396 119.733 2.663 1 1 1123 . 6 1 1 A 99 99 SER H H 99 8.333 8.753 -0.420 1 1 1124 . 6 1 1 A 99 99 SER HA H 99 4.483 5.234 -0.751 1 1 1127 . 6 1 1 A 99 99 SER C C 99 174.489 173.938 0.551 1 1 1128 . 6 1 1 A 99 99 SER CA C 99 58.138 57.437 0.701 1 1 1129 . 6 1 1 A 99 99 SER CB C 99 63.846 67.103 -3.257 1 1 1130 . 6 1 1 A 99 99 SER N N 99 116.892 115.418 1.474 1 1 1131 . 6 1 1 A 100 100 GLY H H 100 8.253 8.331 -0.078 1 1 1132 . 6 1 1 A 100 100 GLY HA2 H 100 4.177 4.053 0.124 1 1 1133 . 6 1 1 A 100 100 GLY HA3 H 100 4.101 4.053 0.048 1 1 1134 . 6 1 1 A 100 100 GLY C C 100 171.838 173.898 -2.060 1 1 1135 . 6 1 1 A 100 100 GLY CA C 100 44.679 45.745 -1.066 1 1 1136 . 6 1 1 A 100 100 GLY N N 100 110.703 109.504 1.199 1 1 1137 . 6 1 1 A 101 101 PRO HA H 101 4.480 4.589 -0.109 1 1 1144 . 6 1 1 A 101 101 PRO C C 101 177.411 177.071 0.340 1 1 1145 . 6 1 1 A 101 101 PRO CA C 101 63.312 62.542 0.770 1 1 1146 . 6 1 1 A 101 101 PRO CB C 101 32.158 31.316 0.842 1 1 1149 . 6 1 1 A 102 102 SER H H 102 8.517 8.444 0.073 1 1 1150 . 6 1 1 A 102 102 SER C C 102 174.655 174.032 0.623 1 1 1151 . 6 1 1 A 102 102 SER CA C 102 58.438 58.004 0.434 1 1 1152 . 6 1 1 A 102 102 SER CB C 102 63.970 64.243 -0.273 1 1 1 . 7 1 1 A 2 2 SER HA H 2 4.493 4.199 0.294 1 1 4 . 7 1 1 A 2 2 SER C C 2 174.671 174.333 0.338 1 1 5 . 7 1 1 A 2 2 SER CA C 2 58.438 59.050 -0.612 1 1 6 . 7 1 1 A 2 2 SER CB C 2 63.558 60.937 2.621 1 1 7 . 7 1 1 A 3 3 SER H H 3 8.324 8.042 0.282 1 1 8 . 7 1 1 A 3 3 SER HA H 3 4.493 4.973 -0.480 1 1 11 . 7 1 1 A 3 3 SER C C 3 173.918 173.705 0.213 1 1 12 . 7 1 1 A 3 3 SER CA C 3 58.455 57.300 1.155 1 1 13 . 7 1 1 A 3 3 SER CB C 3 63.929 64.261 -0.332 1 1 14 . 7 1 1 A 3 3 SER N N 3 117.862 118.021 -0.159 1 1 15 . 7 1 1 A 4 4 GLY H H 4 8.045 8.314 -0.269 1 1 16 . 7 1 1 A 4 4 GLY C C 4 179.001 173.878 5.123 1 1 17 . 7 1 1 A 4 4 GLY CA C 4 46.201 46.370 -0.169 1 1 18 . 7 1 1 A 4 4 GLY N N 4 116.862 114.488 2.374 1 1 19 . 7 1 1 A 6 6 SER HA H 6 4.461 4.131 0.330 1 1 22 . 7 1 1 A 6 6 SER C C 6 175.170 174.726 0.444 1 1 23 . 7 1 1 A 6 6 SER CA C 6 58.755 60.069 -1.314 1 1 24 . 7 1 1 A 6 6 SER CB C 6 63.862 62.826 1.036 1 1 25 . 7 1 1 A 7 7 GLY H H 7 8.432 8.847 -0.415 1 1 26 . 7 1 1 A 7 7 GLY HA2 H 7 3.966 3.921 0.045 1 1 27 . 7 1 1 A 7 7 GLY C C 7 174.309 172.518 1.791 1 1 28 . 7 1 1 A 7 7 GLY CA C 7 45.408 44.857 0.551 1 1 29 . 7 1 1 A 7 7 GLY N N 7 110.678 116.971 -6.293 1 1 30 . 7 1 1 A 8 8 GLN H H 8 8.210 8.454 -0.244 1 1 31 . 7 1 1 A 8 8 GLN HA H 8 4.324 4.969 -0.645 1 1 38 . 7 1 1 A 8 8 GLN C C 8 176.037 174.602 1.435 1 1 39 . 7 1 1 A 8 8 GLN CA C 8 55.970 54.520 1.450 1 1 40 . 7 1 1 A 8 8 GLN CB C 8 29.562 31.192 -1.630 1 1 42 . 7 1 1 A 8 8 GLN N N 8 119.977 118.427 1.550 1 1 44 . 7 1 1 A 9 9 ALA H H 9 8.394 8.888 -0.494 1 1 45 . 7 1 1 A 9 9 ALA HA H 9 4.319 4.976 -0.657 1 1 49 . 7 1 1 A 9 9 ALA C C 9 177.635 177.071 0.564 1 1 50 . 7 1 1 A 9 9 ALA CA C 9 52.531 50.449 2.082 1 1 51 . 7 1 1 A 9 9 ALA CB C 9 19.136 20.412 -1.276 1 1 52 . 7 1 1 A 9 9 ALA N N 9 125.301 127.992 -2.691 1 1 53 . 7 1 1 A 10 10 SER H H 10 8.259 8.794 -0.535 1 1 54 . 7 1 1 A 10 10 SER HA H 10 4.440 4.785 -0.345 1 1 57 . 7 1 1 A 10 10 SER C C 10 175.138 174.723 0.415 1 1 58 . 7 1 1 A 10 10 SER CA C 10 58.649 57.258 1.391 1 1 59 . 7 1 1 A 10 10 SER CB C 10 63.888 63.915 -0.027 1 1 60 . 7 1 1 A 10 10 SER N N 10 114.874 119.473 -4.599 1 1 61 . 7 1 1 A 11 11 GLY H H 11 8.493 7.681 0.812 1 1 62 . 7 1 1 A 11 11 GLY HA2 H 11 4.039 3.809 0.230 1 1 63 . 7 1 1 A 11 11 GLY HA3 H 11 4.039 4.001 0.038 1 1 64 . 7 1 1 A 11 11 GLY C C 11 173.678 173.377 0.301 1 1 65 . 7 1 1 A 11 11 GLY CA C 11 45.531 46.072 -0.541 1 1 66 . 7 1 1 A 11 11 GLY N N 11 110.301 109.541 0.760 1 1 67 . 7 1 1 A 12 12 HIS H H 12 7.970 7.950 0.020 1 1 68 . 7 1 1 A 12 12 HIS HA H 12 5.442 5.182 0.260 1 1 73 . 7 1 1 A 12 12 HIS C C 12 175.304 175.052 0.252 1 1 74 . 7 1 1 A 12 12 HIS CA C 12 55.095 55.321 -0.226 1 1 75 . 7 1 1 A 12 12 HIS CB C 12 31.849 32.568 -0.719 1 1 78 . 7 1 1 A 12 12 HIS N N 12 119.432 116.903 2.529 1 1 79 . 7 1 1 A 13 13 PHE H H 13 8.940 8.532 0.408 1 1 80 . 7 1 1 A 13 13 PHE HA H 13 5.072 5.389 -0.317 1 1 88 . 7 1 1 A 13 13 PHE C C 13 172.688 172.774 -0.086 1 1 89 . 7 1 1 A 13 13 PHE CA C 13 56.269 55.811 0.458 1 1 90 . 7 1 1 A 13 13 PHE CB C 13 40.835 41.776 -0.941 1 1 96 . 7 1 1 A 13 13 PHE N N 13 118.413 117.808 0.605 1 1 97 . 7 1 1 A 14 14 SER H H 14 8.709 9.272 -0.563 1 1 98 . 7 1 1 A 14 14 SER HA H 14 5.580 5.600 -0.020 1 1 101 . 7 1 1 A 14 14 SER C C 14 174.119 174.529 -0.410 1 1 102 . 7 1 1 A 14 14 SER CA C 14 56.974 55.228 1.746 1 1 103 . 7 1 1 A 14 14 SER CB C 14 65.778 66.440 -0.662 1 1 104 . 7 1 1 A 14 14 SER N N 14 115.082 113.953 1.129 1 1 105 . 7 1 1 A 15 15 VAL H H 15 8.801 8.367 0.434 1 1 106 . 7 1 1 A 15 15 VAL HA H 15 4.373 4.691 -0.318 1 1 114 . 7 1 1 A 15 15 VAL C C 15 173.002 174.963 -1.961 1 1 115 . 7 1 1 A 15 15 VAL CA C 15 61.312 61.231 0.081 1 1 116 . 7 1 1 A 15 15 VAL CB C 15 36.461 34.394 2.067 1 1 119 . 7 1 1 A 15 15 VAL N N 15 121.148 121.259 -0.111 1 1 120 . 7 1 1 A 16 16 GLU H H 16 8.383 8.782 -0.399 1 1 121 . 7 1 1 A 16 16 GLU HA H 16 5.299 5.406 -0.107 1 1 126 . 7 1 1 A 16 16 GLU C C 16 175.408 175.924 -0.516 1 1 127 . 7 1 1 A 16 16 GLU CA C 16 54.594 55.400 -0.806 1 1 128 . 7 1 1 A 16 16 GLU CB C 16 31.993 31.501 0.492 1 1 130 . 7 1 1 A 16 16 GLU N N 16 125.925 127.034 -1.109 1 1 131 . 7 1 1 A 17 17 LEU H H 17 9.172 8.875 0.297 1 1 132 . 7 1 1 A 17 17 LEU HA H 17 5.000 4.958 0.042 1 1 142 . 7 1 1 A 17 17 LEU C C 17 175.596 175.841 -0.245 1 1 143 . 7 1 1 A 17 17 LEU CA C 17 52.919 53.709 -0.790 1 1 144 . 7 1 1 A 17 17 LEU CB C 17 47.317 46.535 0.782 1 1 148 . 7 1 1 A 17 17 LEU N N 17 122.761 124.168 -1.407 1 1 149 . 7 1 1 A 18 18 VAL H H 18 8.546 8.893 -0.347 1 1 150 . 7 1 1 A 18 18 VAL HA H 18 4.831 4.724 0.107 1 1 158 . 7 1 1 A 18 18 VAL C C 18 175.783 175.992 -0.209 1 1 159 . 7 1 1 A 18 18 VAL CA C 18 61.277 61.226 0.051 1 1 160 . 7 1 1 A 18 18 VAL CB C 18 33.600 33.506 0.094 1 1 163 . 7 1 1 A 18 18 VAL N N 18 122.523 122.461 0.062 1 1 164 . 7 1 1 A 19 19 ARG H H 19 8.495 8.130 0.365 1 1 165 . 7 1 1 A 19 19 ARG HA H 19 2.868 2.821 0.047 1 1 172 . 7 1 1 A 19 19 ARG C C 19 176.248 175.548 0.700 1 1 173 . 7 1 1 A 19 19 ARG CA C 19 58.138 56.935 1.203 1 1 174 . 7 1 1 A 19 19 ARG CB C 19 30.839 30.295 0.544 1 1 177 . 7 1 1 A 19 19 ARG N N 19 127.015 127.998 -0.983 1 1 178 . 7 1 1 A 20 20 GLY H H 20 7.244 7.895 -0.651 1 1 179 . 7 1 1 A 20 20 GLY HA2 H 20 4.504 4.013 0.491 1 1 180 . 7 1 1 A 20 20 GLY HA3 H 20 3.750 4.037 -0.287 1 1 181 . 7 1 1 A 20 20 GLY C C 20 175.286 172.391 2.895 1 1 182 . 7 1 1 A 20 20 GLY CA C 20 44.131 44.185 -0.054 1 1 183 . 7 1 1 A 20 20 GLY N N 20 112.266 112.730 -0.464 1 1 184 . 7 1 1 A 21 21 TYR HA H 21 4.219 4.421 -0.202 1 1 191 . 7 1 1 A 21 21 TYR C C 21 176.309 175.686 0.623 1 1 192 . 7 1 1 A 21 21 TYR CA C 21 60.518 58.098 2.420 1 1 193 . 7 1 1 A 21 21 TYR CB C 21 37.826 38.846 -1.020 1 1 198 . 7 1 1 A 22 22 ALA H H 22 8.272 8.703 -0.431 1 1 199 . 7 1 1 A 22 22 ALA HA H 22 4.404 3.945 0.459 1 1 203 . 7 1 1 A 22 22 ALA C C 22 177.312 177.241 0.071 1 1 204 . 7 1 1 A 22 22 ALA CA C 22 50.816 53.230 -2.414 1 1 205 . 7 1 1 A 22 22 ALA CB C 22 18.455 18.105 0.350 1 1 206 . 7 1 1 A 22 22 ALA N N 22 121.539 127.531 -5.992 1 1 207 . 7 1 1 A 23 23 GLY H H 23 7.495 8.214 -0.719 1 1 208 . 7 1 1 A 23 23 GLY HA2 H 23 4.541 3.850 0.691 1 1 209 . 7 1 1 A 23 23 GLY HA3 H 23 3.238 3.963 -0.725 1 1 210 . 7 1 1 A 23 23 GLY C C 23 175.043 175.237 -0.194 1 1 211 . 7 1 1 A 23 23 GLY CA C 23 44.897 45.201 -0.304 1 1 212 . 7 1 1 A 23 23 GLY N N 23 106.744 103.239 3.505 1 1 213 . 7 1 1 A 24 24 PHE H H 24 7.242 8.710 -1.468 1 1 214 . 7 1 1 A 24 24 PHE HA H 24 4.369 4.570 -0.201 1 1 222 . 7 1 1 A 24 24 PHE C C 24 175.902 176.229 -0.327 1 1 223 . 7 1 1 A 24 24 PHE CA C 24 60.347 58.544 1.803 1 1 224 . 7 1 1 A 24 24 PHE CB C 24 39.575 39.585 -0.010 1 1 230 . 7 1 1 A 25 25 GLY H H 25 8.820 8.591 0.229 1 1 231 . 7 1 1 A 25 25 GLY HA2 H 25 4.134 3.989 0.145 1 1 232 . 7 1 1 A 25 25 GLY HA3 H 25 3.913 3.996 -0.083 1 1 233 . 7 1 1 A 25 25 GLY C C 25 174.585 174.239 0.346 1 1 234 . 7 1 1 A 25 25 GLY CA C 25 47.030 46.101 0.929 1 1 235 . 7 1 1 A 25 25 GLY N N 25 107.899 108.744 -0.845 1 1 236 . 7 1 1 A 26 26 LEU H H 26 7.991 7.790 0.201 1 1 237 . 7 1 1 A 26 26 LEU HA H 26 4.990 4.831 0.159 1 1 247 . 7 1 1 A 26 26 LEU C C 26 174.135 174.981 -0.846 1 1 248 . 7 1 1 A 26 26 LEU CA C 26 53.906 53.438 0.468 1 1 249 . 7 1 1 A 26 26 LEU CB C 26 45.939 44.581 1.358 1 1 253 . 7 1 1 A 26 26 LEU N N 26 122.133 122.616 -0.483 1 1 254 . 7 1 1 A 27 27 THR H H 27 8.657 8.686 -0.029 1 1 255 . 7 1 1 A 27 27 THR HA H 27 4.662 5.155 -0.493 1 1 260 . 7 1 1 A 27 27 THR C C 27 174.074 173.645 0.429 1 1 261 . 7 1 1 A 27 27 THR CA C 27 61.382 61.737 -0.355 1 1 262 . 7 1 1 A 27 27 THR CB C 27 70.010 70.549 -0.539 1 1 264 . 7 1 1 A 27 27 THR N N 27 121.262 122.893 -1.631 1 1 265 . 7 1 1 A 28 28 LEU H H 28 9.692 9.052 0.640 1 1 266 . 7 1 1 A 28 28 LEU HA H 28 5.297 5.112 0.185 1 1 276 . 7 1 1 A 28 28 LEU C C 28 175.414 176.141 -0.727 1 1 277 . 7 1 1 A 28 28 LEU CA C 28 53.219 53.360 -0.141 1 1 278 . 7 1 1 A 28 28 LEU CB C 28 45.049 44.320 0.729 1 1 282 . 7 1 1 A 28 28 LEU N N 28 128.374 126.120 2.254 1 1 283 . 7 1 1 A 29 29 GLY H H 29 8.818 8.567 0.251 1 1 284 . 7 1 1 A 29 29 GLY HA2 H 29 4.089 4.201 -0.112 1 1 285 . 7 1 1 A 29 29 GLY HA3 H 29 3.664 4.243 -0.579 1 1 286 . 7 1 1 A 29 29 GLY C C 29 171.700 173.841 -2.141 1 1 287 . 7 1 1 A 29 29 GLY CA C 29 44.086 44.774 -0.688 1 1 288 . 7 1 1 A 29 29 GLY N N 29 106.574 111.726 -5.152 1 1 289 . 7 1 1 A 30 30 GLY H H 30 8.339 8.430 -0.091 1 1 290 . 7 1 1 A 30 30 GLY HA2 H 30 4.434 4.167 0.267 1 1 291 . 7 1 1 A 30 30 GLY HA3 H 30 3.554 4.187 -0.633 1 1 292 . 7 1 1 A 30 30 GLY C C 30 174.290 173.563 0.727 1 1 293 . 7 1 1 A 30 30 GLY CA C 30 44.879 44.867 0.012 1 1 294 . 7 1 1 A 30 30 GLY N N 30 107.245 111.547 -4.302 1 1 295 . 7 1 1 A 31 31 GLY H H 31 7.292 8.579 -1.287 1 1 296 . 7 1 1 A 31 31 GLY HA2 H 31 4.439 4.042 0.397 1 1 297 . 7 1 1 A 31 31 GLY HA3 H 31 4.000 4.092 -0.092 1 1 298 . 7 1 1 A 31 31 GLY C C 31 174.513 173.600 0.913 1 1 299 . 7 1 1 A 31 31 GLY CA C 31 43.589 45.189 -1.600 1 1 300 . 7 1 1 A 31 31 GLY N N 31 107.984 108.640 -0.656 1 1 301 . 7 1 1 A 32 32 ARG H H 32 8.065 8.381 -0.316 1 1 302 . 7 1 1 A 32 32 ARG HA H 32 4.380 4.789 -0.409 1 1 309 . 7 1 1 A 32 32 ARG C C 32 176.139 175.204 0.935 1 1 310 . 7 1 1 A 32 32 ARG CA C 32 57.354 55.616 1.738 1 1 311 . 7 1 1 A 32 32 ARG CB C 32 30.080 30.872 -0.792 1 1 314 . 7 1 1 A 32 32 ARG N N 32 121.733 121.891 -0.158 1 1 315 . 7 1 1 A 33 33 ASP H H 33 8.916 9.068 -0.152 1 1 316 . 7 1 1 A 33 33 ASP HA H 33 4.799 4.973 -0.174 1 1 319 . 7 1 1 A 33 33 ASP C C 33 176.381 176.942 -0.561 1 1 320 . 7 1 1 A 33 33 ASP CA C 33 53.783 52.839 0.944 1 1 321 . 7 1 1 A 33 33 ASP CB C 33 43.712 43.156 0.556 1 1 322 . 7 1 1 A 33 33 ASP N N 33 126.313 126.581 -0.268 1 1 323 . 7 1 1 A 34 34 VAL H H 34 8.372 8.695 -0.323 1 1 324 . 7 1 1 A 34 34 VAL HA H 34 3.943 3.821 0.122 1 1 329 . 7 1 1 A 34 34 VAL C C 34 176.591 176.424 0.167 1 1 330 . 7 1 1 A 34 34 VAL CA C 34 64.644 64.201 0.443 1 1 331 . 7 1 1 A 34 34 VAL CB C 34 31.796 31.383 0.413 1 1 333 . 7 1 1 A 34 34 VAL N N 34 121.465 122.935 -1.470 1 1 334 . 7 1 1 A 35 35 ALA H H 35 8.577 7.963 0.614 1 1 335 . 7 1 1 A 35 35 ALA HA H 35 4.386 4.452 -0.066 1 1 339 . 7 1 1 A 35 35 ALA C C 35 177.532 177.281 0.251 1 1 340 . 7 1 1 A 35 35 ALA CA C 35 52.589 52.619 -0.030 1 1 341 . 7 1 1 A 35 35 ALA CB C 35 19.095 20.790 -1.695 1 1 342 . 7 1 1 A 35 35 ALA N N 35 123.222 123.568 -0.346 1 1 343 . 7 1 1 A 36 36 GLY H H 36 7.816 7.471 0.345 1 1 344 . 7 1 1 A 36 36 GLY HA2 H 36 4.274 3.952 0.322 1 1 345 . 7 1 1 A 36 36 GLY HA3 H 36 3.723 3.954 -0.231 1 1 346 . 7 1 1 A 36 36 GLY C C 36 172.610 171.414 1.196 1 1 347 . 7 1 1 A 36 36 GLY CA C 36 45.161 45.521 -0.360 1 1 348 . 7 1 1 A 36 36 GLY N N 36 107.925 102.733 5.192 1 1 349 . 7 1 1 A 37 37 ASP H H 37 8.604 8.548 0.056 1 1 350 . 7 1 1 A 37 37 ASP HA H 37 4.810 5.573 -0.763 1 1 353 . 7 1 1 A 37 37 ASP C C 37 176.081 174.643 1.438 1 1 354 . 7 1 1 A 37 37 ASP CA C 37 54.700 52.962 1.738 1 1 355 . 7 1 1 A 37 37 ASP CB C 37 41.076 44.766 -3.690 1 1 356 . 7 1 1 A 37 37 ASP N N 37 124.969 120.235 4.734 1 1 357 . 7 1 1 A 38 38 THR H H 38 7.679 8.691 -1.012 1 1 358 . 7 1 1 A 38 38 THR HA H 38 4.704 4.881 -0.177 1 1 363 . 7 1 1 A 38 38 THR C C 38 172.712 171.167 1.545 1 1 364 . 7 1 1 A 38 38 THR CA C 38 59.810 58.503 1.307 1 1 365 . 7 1 1 A 38 38 THR CB C 38 70.420 70.467 -0.047 1 1 367 . 7 1 1 A 38 38 THR N N 38 116.498 114.204 2.294 1 1 368 . 7 1 1 A 39 39 PRO HA H 39 4.305 4.670 -0.365 1 1 375 . 7 1 1 A 39 39 PRO C C 39 176.355 176.893 -0.538 1 1 376 . 7 1 1 A 39 39 PRO CA C 39 63.304 62.749 0.555 1 1 377 . 7 1 1 A 39 39 PRO CB C 39 32.703 31.765 0.938 1 1 380 . 7 1 1 A 40 40 LEU H H 40 8.247 8.151 0.096 1 1 381 . 7 1 1 A 40 40 LEU HA H 40 4.704 4.258 0.446 1 1 391 . 7 1 1 A 40 40 LEU C C 40 176.631 177.204 -0.573 1 1 392 . 7 1 1 A 40 40 LEU CA C 40 55.352 55.289 0.063 1 1 393 . 7 1 1 A 40 40 LEU CB C 40 42.524 42.109 0.415 1 1 397 . 7 1 1 A 40 40 LEU N N 40 125.558 123.980 1.578 1 1 398 . 7 1 1 A 41 41 ALA H H 41 8.856 8.639 0.217 1 1 399 . 7 1 1 A 41 41 ALA HA H 41 5.465 5.157 0.308 1 1 403 . 7 1 1 A 41 41 ALA C C 41 176.658 176.461 0.197 1 1 404 . 7 1 1 A 41 41 ALA CA C 41 50.503 50.879 -0.376 1 1 405 . 7 1 1 A 41 41 ALA CB C 41 24.074 23.038 1.036 1 1 406 . 7 1 1 A 41 41 ALA N N 41 128.426 126.371 2.055 1 1 407 . 7 1 1 A 42 42 VAL H H 42 9.160 8.429 0.731 1 1 408 . 7 1 1 A 42 42 VAL HA H 42 3.803 4.103 -0.300 1 1 416 . 7 1 1 A 42 42 VAL C C 42 176.499 175.664 0.835 1 1 417 . 7 1 1 A 42 42 VAL CA C 42 64.196 63.651 0.545 1 1 418 . 7 1 1 A 42 42 VAL CB C 42 31.773 31.860 -0.087 1 1 421 . 7 1 1 A 42 42 VAL N N 42 119.342 122.912 -3.570 1 1 422 . 7 1 1 A 43 43 ARG H H 43 9.385 9.289 0.096 1 1 423 . 7 1 1 A 43 43 ARG HA H 43 4.527 4.402 0.125 1 1 430 . 7 1 1 A 43 43 ARG C C 43 175.332 176.065 -0.733 1 1 431 . 7 1 1 A 43 43 ARG CA C 43 55.340 57.330 -1.990 1 1 432 . 7 1 1 A 43 43 ARG CB C 43 32.242 31.733 0.509 1 1 435 . 7 1 1 A 43 43 ARG N N 43 131.043 129.095 1.948 1 1 436 . 7 1 1 A 44 44 GLY H H 44 7.872 7.469 0.403 1 1 437 . 7 1 1 A 44 44 GLY HA2 H 44 4.155 4.184 -0.029 1 1 438 . 7 1 1 A 44 44 GLY HA3 H 44 3.765 4.187 -0.422 1 1 439 . 7 1 1 A 44 44 GLY C C 44 170.284 171.830 -1.546 1 1 440 . 7 1 1 A 44 44 GLY CA C 44 45.602 43.997 1.605 1 1 441 . 7 1 1 A 44 44 GLY N N 44 107.517 107.838 -0.321 1 1 442 . 7 1 1 A 45 45 LEU H H 45 8.455 9.415 -0.960 1 1 443 . 7 1 1 A 45 45 LEU HA H 45 4.915 4.913 0.002 1 1 453 . 7 1 1 A 45 45 LEU C C 45 175.215 176.862 -1.647 1 1 454 . 7 1 1 A 45 45 LEU CA C 45 52.795 53.627 -0.832 1 1 455 . 7 1 1 A 45 45 LEU CB C 45 44.824 43.785 1.039 1 1 459 . 7 1 1 A 45 45 LEU N N 45 121.812 122.882 -1.070 1 1 460 . 7 1 1 A 46 46 LEU H H 46 7.582 8.697 -1.115 1 1 461 . 7 1 1 A 46 46 LEU HA H 46 4.208 4.336 -0.128 1 1 471 . 7 1 1 A 46 46 LEU C C 46 177.935 176.581 1.354 1 1 472 . 7 1 1 A 46 46 LEU CA C 46 54.984 56.061 -1.077 1 1 473 . 7 1 1 A 46 46 LEU CB C 46 42.815 42.832 -0.017 1 1 477 . 7 1 1 A 46 46 LEU N N 46 124.670 128.534 -3.864 1 1 478 . 7 1 1 A 47 47 LYS H H 47 8.959 8.655 0.304 1 1 479 . 7 1 1 A 47 47 LYS HA H 47 3.875 3.873 0.002 1 1 488 . 7 1 1 A 47 47 LYS C C 47 176.699 177.095 -0.396 1 1 489 . 7 1 1 A 47 47 LYS CA C 47 58.861 57.927 0.934 1 1 490 . 7 1 1 A 47 47 LYS CB C 47 32.076 32.178 -0.102 1 1 494 . 7 1 1 A 47 47 LYS N N 47 129.726 126.508 3.218 1 1 495 . 7 1 1 A 48 48 ASP H H 48 8.845 9.046 -0.201 1 1 496 . 7 1 1 A 48 48 ASP HA H 48 4.395 4.256 0.139 1 1 499 . 7 1 1 A 48 48 ASP C C 48 175.442 175.378 0.064 1 1 500 . 7 1 1 A 48 48 ASP CA C 48 56.632 55.050 1.582 1 1 501 . 7 1 1 A 48 48 ASP CB C 48 39.740 39.706 0.034 1 1 502 . 7 1 1 A 48 48 ASP N N 48 119.883 126.072 -6.189 1 1 503 . 7 1 1 A 49 49 GLY H H 49 7.947 7.785 0.162 1 1 504 . 7 1 1 A 49 49 GLY HA2 H 49 4.578 4.110 0.468 1 1 505 . 7 1 1 A 49 49 GLY HA3 H 49 3.748 4.118 -0.370 1 1 506 . 7 1 1 A 49 49 GLY C C 49 172.008 174.685 -2.677 1 1 507 . 7 1 1 A 49 49 GLY CA C 49 45.000 43.941 1.059 1 1 508 . 7 1 1 A 49 49 GLY N N 49 106.565 108.052 -1.487 1 1 509 . 7 1 1 A 50 50 PRO HA H 50 4.268 4.417 -0.149 1 1 516 . 7 1 1 A 50 50 PRO C C 50 179.273 178.566 0.707 1 1 517 . 7 1 1 A 50 50 PRO CA C 50 65.791 65.120 0.671 1 1 518 . 7 1 1 A 50 50 PRO CB C 50 32.532 32.023 0.509 1 1 521 . 7 1 1 A 51 51 ALA H H 51 7.805 8.189 -0.384 1 1 522 . 7 1 1 A 51 51 ALA HA H 51 4.167 4.141 0.026 1 1 526 . 7 1 1 A 51 51 ALA C C 51 178.947 180.057 -1.110 1 1 527 . 7 1 1 A 51 51 ALA CA C 51 55.079 54.792 0.287 1 1 528 . 7 1 1 A 51 51 ALA CB C 51 18.988 18.361 0.627 1 1 529 . 7 1 1 A 51 51 ALA N N 51 119.037 119.363 -0.326 1 1 530 . 7 1 1 A 52 52 GLN H H 52 9.614 7.808 1.806 1 1 531 . 7 1 1 A 52 52 GLN HA H 52 3.969 4.056 -0.087 1 1 538 . 7 1 1 A 52 52 GLN C C 52 178.509 178.200 0.309 1 1 539 . 7 1 1 A 52 52 GLN CA C 52 59.529 59.021 0.508 1 1 540 . 7 1 1 A 52 52 GLN CB C 52 29.107 28.406 0.701 1 1 542 . 7 1 1 A 52 52 GLN N N 52 122.017 117.687 4.330 1 1 544 . 7 1 1 A 53 53 ARG H H 53 8.524 8.083 0.441 1 1 545 . 7 1 1 A 53 53 ARG HA H 53 3.996 4.081 -0.085 1 1 552 . 7 1 1 A 53 53 ARG C C 53 178.479 178.945 -0.466 1 1 553 . 7 1 1 A 53 53 ARG CA C 53 58.825 59.446 -0.621 1 1 554 . 7 1 1 A 53 53 ARG CB C 53 30.546 30.391 0.155 1 1 557 . 7 1 1 A 53 53 ARG N N 53 116.703 118.895 -2.192 1 1 558 . 7 1 1 A 54 54 CYS H H 54 7.589 7.622 -0.033 1 1 559 . 7 1 1 A 54 54 CYS HA H 54 4.641 4.344 0.297 1 1 562 . 7 1 1 A 54 54 CYS C C 54 175.840 175.655 0.185 1 1 563 . 7 1 1 A 54 54 CYS CA C 54 59.724 60.235 -0.511 1 1 564 . 7 1 1 A 54 54 CYS CB C 54 27.419 28.760 -1.341 1 1 565 . 7 1 1 A 54 54 CYS N N 54 113.424 116.327 -2.903 1 1 566 . 7 1 1 A 55 55 GLY H H 55 7.436 7.835 -0.399 1 1 567 . 7 1 1 A 55 55 GLY HA2 H 55 4.082 3.969 0.113 1 1 568 . 7 1 1 A 55 55 GLY HA3 H 55 4.082 3.981 0.101 1 1 569 . 7 1 1 A 55 55 GLY C C 55 174.435 175.923 -1.488 1 1 570 . 7 1 1 A 55 55 GLY CA C 55 46.977 45.417 1.560 1 1 571 . 7 1 1 A 55 55 GLY N N 55 109.572 109.506 0.066 1 1 572 . 7 1 1 A 56 56 ARG H H 56 7.860 8.245 -0.385 1 1 573 . 7 1 1 A 56 56 ARG HA H 56 4.472 4.008 0.464 1 1 580 . 7 1 1 A 56 56 ARG C C 56 174.959 176.784 -1.825 1 1 581 . 7 1 1 A 56 56 ARG CA C 56 55.687 58.807 -3.120 1 1 582 . 7 1 1 A 56 56 ARG CB C 56 32.785 30.295 2.490 1 1 585 . 7 1 1 A 56 56 ARG N N 56 118.137 120.191 -2.054 1 1 586 . 7 1 1 A 57 57 LEU H H 57 8.219 8.053 0.166 1 1 587 . 7 1 1 A 57 57 LEU HA H 57 4.926 4.830 0.096 1 1 597 . 7 1 1 A 57 57 LEU C C 57 175.333 175.982 -0.649 1 1 598 . 7 1 1 A 57 57 LEU CA C 57 53.043 53.492 -0.449 1 1 599 . 7 1 1 A 57 57 LEU CB C 57 46.459 43.069 3.390 1 1 603 . 7 1 1 A 57 57 LEU N N 57 117.496 120.458 -2.962 1 1 604 . 7 1 1 A 58 58 GLU H H 58 9.053 8.735 0.318 1 1 605 . 7 1 1 A 58 58 GLU HA H 58 4.460 4.912 -0.452 1 1 610 . 7 1 1 A 58 58 GLU C C 58 175.683 176.250 -0.567 1 1 611 . 7 1 1 A 58 58 GLU CA C 58 54.144 54.150 -0.006 1 1 612 . 7 1 1 A 58 58 GLU CB C 58 33.286 33.952 -0.666 1 1 614 . 7 1 1 A 58 58 GLU N N 58 121.883 123.235 -1.352 1 1 615 . 7 1 1 A 59 59 VAL H H 59 8.727 8.589 0.138 1 1 616 . 7 1 1 A 59 59 VAL HA H 59 3.213 3.623 -0.410 1 1 624 . 7 1 1 A 59 59 VAL C C 59 177.728 177.004 0.724 1 1 625 . 7 1 1 A 59 59 VAL CA C 59 65.823 65.228 0.595 1 1 626 . 7 1 1 A 59 59 VAL CB C 59 31.151 31.336 -0.185 1 1 629 . 7 1 1 A 59 59 VAL N N 59 121.698 122.371 -0.673 1 1 630 . 7 1 1 A 60 60 GLY H H 60 9.172 8.580 0.592 1 1 631 . 7 1 1 A 60 60 GLY HA2 H 60 4.500 3.990 0.510 1 1 632 . 7 1 1 A 60 60 GLY HA3 H 60 3.469 3.994 -0.525 1 1 633 . 7 1 1 A 60 60 GLY C C 60 173.646 174.086 -0.440 1 1 634 . 7 1 1 A 60 60 GLY CA C 60 44.148 45.058 -0.910 1 1 635 . 7 1 1 A 60 60 GLY N N 60 117.734 115.329 2.405 1 1 636 . 7 1 1 A 61 61 ASP H H 61 7.877 8.065 -0.188 1 1 637 . 7 1 1 A 61 61 ASP HA H 61 4.551 4.628 -0.077 1 1 640 . 7 1 1 A 61 61 ASP C C 61 175.437 175.311 0.126 1 1 641 . 7 1 1 A 61 61 ASP CA C 61 56.057 55.465 0.592 1 1 642 . 7 1 1 A 61 61 ASP CB C 61 40.660 41.622 -0.962 1 1 643 . 7 1 1 A 61 61 ASP N N 61 121.399 121.837 -0.438 1 1 644 . 7 1 1 A 62 62 LEU H H 62 8.773 8.597 0.176 1 1 645 . 7 1 1 A 62 62 LEU HA H 62 4.713 4.893 -0.180 1 1 655 . 7 1 1 A 62 62 LEU C C 62 176.560 175.844 0.716 1 1 656 . 7 1 1 A 62 62 LEU CA C 62 54.259 53.349 0.910 1 1 657 . 7 1 1 A 62 62 LEU CB C 62 42.022 43.511 -1.489 1 1 661 . 7 1 1 A 62 62 LEU N N 62 120.566 123.998 -3.432 1 1 662 . 7 1 1 A 63 63 VAL H H 63 8.121 8.984 -0.863 1 1 663 . 7 1 1 A 63 63 VAL HA H 63 4.113 4.179 -0.066 1 1 671 . 7 1 1 A 63 63 VAL C C 63 175.468 175.449 0.019 1 1 672 . 7 1 1 A 63 63 VAL CA C 63 61.763 61.977 -0.214 1 1 673 . 7 1 1 A 63 63 VAL CB C 63 31.413 32.334 -0.921 1 1 676 . 7 1 1 A 63 63 VAL N N 63 121.172 123.784 -2.612 1 1 677 . 7 1 1 A 64 64 LEU H H 64 9.077 8.635 0.442 1 1 678 . 7 1 1 A 64 64 LEU HA H 64 4.113 4.169 -0.056 1 1 688 . 7 1 1 A 64 64 LEU C C 64 177.611 176.038 1.573 1 1 689 . 7 1 1 A 64 64 LEU CA C 64 56.614 55.092 1.522 1 1 690 . 7 1 1 A 64 64 LEU CB C 64 42.994 42.475 0.519 1 1 694 . 7 1 1 A 64 64 LEU N N 64 130.175 127.694 2.481 1 1 695 . 7 1 1 A 65 65 HIS H H 65 7.510 7.079 0.431 1 1 696 . 7 1 1 A 65 65 HIS HA H 65 5.297 5.135 0.162 1 1 701 . 7 1 1 A 65 65 HIS C C 65 174.833 173.732 1.101 1 1 702 . 7 1 1 A 65 65 HIS CA C 65 55.715 54.456 1.259 1 1 703 . 7 1 1 A 65 65 HIS CB C 65 35.813 34.705 1.108 1 1 706 . 7 1 1 A 65 65 HIS N N 65 115.096 114.622 0.474 1 1 707 . 7 1 1 A 66 66 ILE H H 66 8.675 8.691 -0.016 1 1 708 . 7 1 1 A 66 66 ILE HA H 66 4.320 4.427 -0.107 1 1 718 . 7 1 1 A 66 66 ILE C C 66 175.571 175.790 -0.219 1 1 719 . 7 1 1 A 66 66 ILE CA C 66 60.510 60.184 0.326 1 1 720 . 7 1 1 A 66 66 ILE CB C 66 41.360 40.773 0.587 1 1 724 . 7 1 1 A 66 66 ILE N N 66 119.474 119.449 0.025 1 1 725 . 7 1 1 A 67 67 ASN H H 67 10.170 9.530 0.640 1 1 726 . 7 1 1 A 67 67 ASN HA H 67 4.595 4.561 0.034 1 1 731 . 7 1 1 A 67 67 ASN C C 67 175.349 175.463 -0.114 1 1 732 . 7 1 1 A 67 67 ASN CA C 67 54.589 54.558 0.031 1 1 733 . 7 1 1 A 67 67 ASN CB C 67 37.267 37.427 -0.160 1 1 734 . 7 1 1 A 67 67 ASN N N 67 129.216 126.938 2.278 1 1 736 . 7 1 1 A 68 68 GLY H H 68 9.396 8.745 0.651 1 1 737 . 7 1 1 A 68 68 GLY HA2 H 68 4.155 3.890 0.265 1 1 738 . 7 1 1 A 68 68 GLY HA3 H 68 3.585 3.906 -0.321 1 1 739 . 7 1 1 A 68 68 GLY C C 68 173.920 173.821 0.099 1 1 740 . 7 1 1 A 68 68 GLY CA C 68 45.267 46.255 -0.988 1 1 741 . 7 1 1 A 68 68 GLY N N 68 104.067 103.753 0.314 1 1 742 . 7 1 1 A 69 69 GLU H H 69 7.815 8.310 -0.495 1 1 743 . 7 1 1 A 69 69 GLU HA H 69 4.619 4.784 -0.165 1 1 748 . 7 1 1 A 69 69 GLU C C 69 175.696 174.692 1.004 1 1 749 . 7 1 1 A 69 69 GLU CA C 69 54.803 54.571 0.232 1 1 750 . 7 1 1 A 69 69 GLU CB C 69 32.281 32.712 -0.431 1 1 752 . 7 1 1 A 69 69 GLU N N 69 121.337 119.567 1.770 1 1 753 . 7 1 1 A 70 70 SER H H 70 8.867 8.611 0.256 1 1 754 . 7 1 1 A 70 70 SER HA H 70 4.411 5.086 -0.675 1 1 757 . 7 1 1 A 70 70 SER C C 70 176.409 174.794 1.615 1 1 758 . 7 1 1 A 70 70 SER CA C 70 58.034 56.282 1.752 1 1 759 . 7 1 1 A 70 70 SER CB C 70 63.432 64.430 -0.998 1 1 760 . 7 1 1 A 70 70 SER N N 70 119.566 116.233 3.333 1 1 761 . 7 1 1 A 71 71 THR H H 71 7.914 8.953 -1.039 1 1 762 . 7 1 1 A 71 71 THR HA H 71 4.162 4.153 0.009 1 1 767 . 7 1 1 A 71 71 THR C C 71 175.433 175.714 -0.281 1 1 768 . 7 1 1 A 71 71 THR CA C 71 60.921 64.277 -3.356 1 1 769 . 7 1 1 A 71 71 THR CB C 71 68.671 69.120 -0.449 1 1 771 . 7 1 1 A 71 71 THR N N 71 114.514 122.870 -8.356 1 1 772 . 7 1 1 A 72 72 GLN H H 72 8.131 7.869 0.262 1 1 773 . 7 1 1 A 72 72 GLN HA H 72 4.020 4.007 0.013 1 1 780 . 7 1 1 A 72 72 GLN C C 72 176.950 177.574 -0.624 1 1 781 . 7 1 1 A 72 72 GLN CA C 72 58.361 59.464 -1.103 1 1 782 . 7 1 1 A 72 72 GLN CB C 72 28.079 28.735 -0.656 1 1 784 . 7 1 1 A 72 72 GLN N N 72 124.809 121.520 3.289 1 1 786 . 7 1 1 A 73 73 GLY H H 73 9.025 7.667 1.358 1 1 787 . 7 1 1 A 73 73 GLY HA2 H 73 4.092 4.016 0.076 1 1 788 . 7 1 1 A 73 73 GLY HA3 H 73 3.754 4.016 -0.262 1 1 789 . 7 1 1 A 73 73 GLY C C 73 173.971 173.818 0.153 1 1 790 . 7 1 1 A 73 73 GLY CA C 73 45.373 45.274 0.099 1 1 791 . 7 1 1 A 73 73 GLY N N 73 114.015 106.451 7.564 1 1 792 . 7 1 1 A 74 74 LEU H H 74 7.672 7.481 0.191 1 1 793 . 7 1 1 A 74 74 LEU HA H 74 4.768 4.880 -0.112 1 1 803 . 7 1 1 A 74 74 LEU C C 74 179.964 176.538 3.426 1 1 804 . 7 1 1 A 74 74 LEU CA C 74 54.682 53.346 1.336 1 1 805 . 7 1 1 A 74 74 LEU CB C 74 42.355 43.863 -1.508 1 1 809 . 7 1 1 A 74 74 LEU N N 74 118.933 121.052 -2.119 1 1 810 . 7 1 1 A 75 75 THR H H 75 8.911 8.781 0.130 1 1 811 . 7 1 1 A 75 75 THR HA H 75 4.799 4.781 0.018 1 1 816 . 7 1 1 A 75 75 THR C C 75 174.971 175.556 -0.585 1 1 817 . 7 1 1 A 75 75 THR CA C 75 60.571 60.196 0.375 1 1 818 . 7 1 1 A 75 75 THR CB C 75 71.058 71.412 -0.354 1 1 820 . 7 1 1 A 75 75 THR N N 75 113.687 114.489 -0.802 1 1 821 . 7 1 1 A 76 76 HIS H H 76 9.474 9.108 0.366 1 1 822 . 7 1 1 A 76 76 HIS HA H 76 3.997 4.138 -0.141 1 1 826 . 7 1 1 A 76 76 HIS C C 76 176.917 176.936 -0.019 1 1 827 . 7 1 1 A 76 76 HIS CA C 76 61.208 60.131 1.077 1 1 828 . 7 1 1 A 76 76 HIS CB C 76 29.729 29.886 -0.157 1 1 830 . 7 1 1 A 76 76 HIS N N 76 122.022 121.605 0.417 1 1 831 . 7 1 1 A 77 77 ALA H H 77 8.457 8.368 0.089 1 1 832 . 7 1 1 A 77 77 ALA HA H 77 3.946 3.905 0.041 1 1 836 . 7 1 1 A 77 77 ALA C C 77 181.502 180.013 1.489 1 1 837 . 7 1 1 A 77 77 ALA CA C 77 55.282 55.408 -0.126 1 1 838 . 7 1 1 A 77 77 ALA CB C 77 18.162 18.685 -0.523 1 1 839 . 7 1 1 A 77 77 ALA N N 77 119.389 121.366 -1.977 1 1 840 . 7 1 1 A 78 78 GLN H H 78 7.991 7.633 0.358 1 1 841 . 7 1 1 A 78 78 GLN HA H 78 4.029 4.041 -0.012 1 1 848 . 7 1 1 A 78 78 GLN C C 78 179.215 178.205 1.010 1 1 849 . 7 1 1 A 78 78 GLN CA C 78 58.562 58.985 -0.423 1 1 850 . 7 1 1 A 78 78 GLN CB C 78 29.592 28.575 1.017 1 1 852 . 7 1 1 A 78 78 GLN N N 78 117.510 117.436 0.074 1 1 854 . 7 1 1 A 79 79 ALA H H 79 8.367 8.239 0.128 1 1 855 . 7 1 1 A 79 79 ALA HA H 79 3.775 4.092 -0.317 1 1 859 . 7 1 1 A 79 79 ALA C C 79 178.754 179.480 -0.726 1 1 860 . 7 1 1 A 79 79 ALA CA C 79 55.828 55.240 0.588 1 1 861 . 7 1 1 A 79 79 ALA CB C 79 18.733 18.581 0.152 1 1 862 . 7 1 1 A 79 79 ALA N N 79 123.463 122.204 1.259 1 1 863 . 7 1 1 A 80 80 VAL H H 80 8.228 7.505 0.723 1 1 864 . 7 1 1 A 80 80 VAL HA H 80 3.510 3.348 0.162 1 1 872 . 7 1 1 A 80 80 VAL C C 80 179.087 178.203 0.884 1 1 873 . 7 1 1 A 80 80 VAL CA C 80 66.912 66.974 -0.062 1 1 874 . 7 1 1 A 80 80 VAL CB C 80 31.781 31.337 0.444 1 1 877 . 7 1 1 A 80 80 VAL N N 80 116.720 117.884 -1.164 1 1 878 . 7 1 1 A 81 81 GLU H H 81 7.834 8.252 -0.418 1 1 879 . 7 1 1 A 81 81 GLU HA H 81 4.195 3.980 0.215 1 1 884 . 7 1 1 A 81 81 GLU C C 81 178.847 178.902 -0.055 1 1 885 . 7 1 1 A 81 81 GLU CA C 81 59.100 59.111 -0.011 1 1 886 . 7 1 1 A 81 81 GLU CB C 81 28.818 29.223 -0.405 1 1 888 . 7 1 1 A 81 81 GLU N N 81 121.198 119.842 1.356 1 1 889 . 7 1 1 A 82 82 ARG H H 82 8.004 8.102 -0.098 1 1 890 . 7 1 1 A 82 82 ARG HA H 82 4.021 4.074 -0.053 1 1 897 . 7 1 1 A 82 82 ARG C C 82 179.863 178.551 1.312 1 1 898 . 7 1 1 A 82 82 ARG CA C 82 58.487 59.128 -0.641 1 1 899 . 7 1 1 A 82 82 ARG CB C 82 29.026 29.948 -0.922 1 1 902 . 7 1 1 A 82 82 ARG N N 82 119.267 119.123 0.144 1 1 903 . 7 1 1 A 83 83 ILE H H 83 7.875 7.853 0.022 1 1 904 . 7 1 1 A 83 83 ILE HA H 83 3.467 3.627 -0.160 1 1 914 . 7 1 1 A 83 83 ILE C C 83 179.211 177.739 1.472 1 1 915 . 7 1 1 A 83 83 ILE CA C 83 65.491 64.729 0.762 1 1 916 . 7 1 1 A 83 83 ILE CB C 83 38.055 37.698 0.357 1 1 920 . 7 1 1 A 83 83 ILE N N 83 120.039 121.031 -0.992 1 1 921 . 7 1 1 A 84 84 ARG H H 84 8.207 8.059 0.148 1 1 922 . 7 1 1 A 84 84 ARG HA H 84 4.125 4.103 0.022 1 1 929 . 7 1 1 A 84 84 ARG C C 84 179.062 179.095 -0.033 1 1 930 . 7 1 1 A 84 84 ARG CA C 84 59.643 59.975 -0.332 1 1 931 . 7 1 1 A 84 84 ARG CB C 84 30.197 30.279 -0.082 1 1 934 . 7 1 1 A 84 84 ARG N N 84 121.315 119.853 1.462 1 1 935 . 7 1 1 A 85 85 ALA H H 85 8.366 8.230 0.136 1 1 936 . 7 1 1 A 85 85 ALA HA H 85 4.241 4.068 0.173 1 1 940 . 7 1 1 A 85 85 ALA C C 85 179.042 179.760 -0.718 1 1 941 . 7 1 1 A 85 85 ALA CA C 85 53.695 54.972 -1.277 1 1 942 . 7 1 1 A 85 85 ALA CB C 85 18.806 18.538 0.268 1 1 943 . 7 1 1 A 85 85 ALA N N 85 120.166 122.165 -1.999 1 1 944 . 7 1 1 A 86 86 GLY H H 86 7.470 8.736 -1.266 1 1 945 . 7 1 1 A 86 86 GLY HA2 H 86 4.134 3.885 0.249 1 1 946 . 7 1 1 A 86 86 GLY HA3 H 86 4.134 3.893 0.241 1 1 947 . 7 1 1 A 86 86 GLY C C 86 174.699 174.492 0.207 1 1 948 . 7 1 1 A 86 86 GLY CA C 86 45.902 47.286 -1.384 1 1 949 . 7 1 1 A 86 86 GLY N N 86 104.067 106.098 -2.031 1 1 950 . 7 1 1 A 87 87 GLY H H 87 7.688 7.209 0.479 1 1 951 . 7 1 1 A 87 87 GLY HA2 H 87 4.528 4.117 0.411 1 1 952 . 7 1 1 A 87 87 GLY HA3 H 87 3.835 4.117 -0.282 1 1 953 . 7 1 1 A 87 87 GLY C C 87 173.611 174.124 -0.513 1 1 954 . 7 1 1 A 87 87 GLY CA C 87 44.677 44.147 0.530 1 1 955 . 7 1 1 A 87 87 GLY N N 87 107.458 106.171 1.287 1 1 956 . 7 1 1 A 88 88 PRO HA H 88 4.306 4.523 -0.217 1 1 963 . 7 1 1 A 88 88 PRO C C 88 175.247 176.453 -1.206 1 1 964 . 7 1 1 A 88 88 PRO CA C 88 64.596 64.191 0.405 1 1 965 . 7 1 1 A 88 88 PRO CB C 88 32.405 32.023 0.382 1 1 968 . 7 1 1 A 89 89 GLN H H 89 7.606 8.076 -0.470 1 1 969 . 7 1 1 A 89 89 GLN HA H 89 5.343 4.923 0.420 1 1 976 . 7 1 1 A 89 89 GLN C C 89 173.750 174.471 -0.721 1 1 977 . 7 1 1 A 89 89 GLN CA C 89 54.626 55.064 -0.438 1 1 978 . 7 1 1 A 89 89 GLN CB C 89 31.870 30.997 0.873 1 1 980 . 7 1 1 A 89 89 GLN N N 89 116.964 119.489 -2.525 1 1 982 . 7 1 1 A 90 90 LEU H H 90 8.610 8.776 -0.166 1 1 983 . 7 1 1 A 90 90 LEU HA H 90 4.757 4.798 -0.041 1 1 993 . 7 1 1 A 90 90 LEU C C 90 173.607 175.002 -1.395 1 1 994 . 7 1 1 A 90 90 LEU CA C 90 53.730 53.457 0.273 1 1 995 . 7 1 1 A 90 90 LEU CB C 90 45.549 43.953 1.596 1 1 999 . 7 1 1 A 90 90 LEU N N 90 124.460 126.644 -2.184 1 1 1000 . 7 1 1 A 91 91 HIS H H 91 8.826 8.812 0.014 1 1 1001 . 7 1 1 A 91 91 HIS HA H 91 5.207 5.613 -0.406 1 1 1006 . 7 1 1 A 91 91 HIS C C 91 174.745 173.215 1.530 1 1 1007 . 7 1 1 A 91 91 HIS CA C 91 55.093 53.997 1.096 1 1 1008 . 7 1 1 A 91 91 HIS CB C 91 32.686 33.009 -0.323 1 1 1011 . 7 1 1 A 91 91 HIS N N 91 126.871 126.148 0.723 1 1 1012 . 7 1 1 A 92 92 LEU H H 92 9.024 8.654 0.370 1 1 1013 . 7 1 1 A 92 92 LEU HA H 92 5.203 4.748 0.455 1 1 1023 . 7 1 1 A 92 92 LEU C C 92 175.889 175.204 0.685 1 1 1024 . 7 1 1 A 92 92 LEU CA C 92 52.955 53.407 -0.452 1 1 1025 . 7 1 1 A 92 92 LEU CB C 92 46.233 45.999 0.234 1 1 1029 . 7 1 1 A 92 92 LEU N N 92 125.837 127.799 -1.962 1 1 1030 . 7 1 1 A 93 93 VAL H H 93 7.739 8.565 -0.826 1 1 1031 . 7 1 1 A 93 93 VAL HA H 93 4.568 4.628 -0.060 1 1 1039 . 7 1 1 A 93 93 VAL C C 93 174.538 174.877 -0.339 1 1 1040 . 7 1 1 A 93 93 VAL CA C 93 62.666 61.642 1.024 1 1 1041 . 7 1 1 A 93 93 VAL CB C 93 32.838 31.668 1.170 1 1 1044 . 7 1 1 A 93 93 VAL N N 93 120.566 124.447 -3.881 1 1 1045 . 7 1 1 A 94 94 ILE H H 94 8.965 8.438 0.527 1 1 1046 . 7 1 1 A 94 94 ILE HA H 94 5.152 4.899 0.253 1 1 1056 . 7 1 1 A 94 94 ILE C C 94 174.723 174.360 0.363 1 1 1057 . 7 1 1 A 94 94 ILE CA C 94 56.360 59.092 -2.732 1 1 1058 . 7 1 1 A 94 94 ILE CB C 94 39.214 40.324 -1.110 1 1 1062 . 7 1 1 A 94 94 ILE N N 94 128.952 128.263 0.689 1 1 1063 . 7 1 1 A 95 95 ARG H H 95 8.286 8.561 -0.275 1 1 1064 . 7 1 1 A 95 95 ARG HA H 95 4.715 4.933 -0.218 1 1 1071 . 7 1 1 A 95 95 ARG C C 95 173.665 175.141 -1.476 1 1 1072 . 7 1 1 A 95 95 ARG CA C 95 54.982 54.849 0.133 1 1 1073 . 7 1 1 A 95 95 ARG CB C 95 34.833 33.353 1.480 1 1 1076 . 7 1 1 A 95 95 ARG N N 95 120.920 126.255 -5.335 1 1 1077 . 7 1 1 A 96 96 ARG H H 96 9.238 8.974 0.264 1 1 1078 . 7 1 1 A 96 96 ARG HA H 96 4.984 4.314 0.670 1 1 1086 . 7 1 1 A 96 96 ARG C C 96 174.582 174.900 -0.318 1 1 1087 . 7 1 1 A 96 96 ARG CA C 96 53.219 54.501 -1.282 1 1 1088 . 7 1 1 A 96 96 ARG CB C 96 31.369 31.014 0.355 1 1 1091 . 7 1 1 A 96 96 ARG N N 96 129.955 128.762 1.193 1 1 1093 . 7 1 1 A 97 97 PRO HA H 97 4.424 4.760 -0.336 1 1 1100 . 7 1 1 A 97 97 PRO C C 97 176.289 176.258 0.031 1 1 1101 . 7 1 1 A 97 97 PRO CA C 97 63.322 62.611 0.711 1 1 1102 . 7 1 1 A 97 97 PRO CB C 97 32.240 33.610 -1.370 1 1 1105 . 7 1 1 A 98 98 LEU H H 98 8.325 8.738 -0.413 1 1 1106 . 7 1 1 A 98 98 LEU HA H 98 4.399 4.479 -0.080 1 1 1116 . 7 1 1 A 98 98 LEU C C 98 177.395 176.187 1.208 1 1 1117 . 7 1 1 A 98 98 LEU CA C 98 55.165 56.118 -0.953 1 1 1118 . 7 1 1 A 98 98 LEU CB C 98 42.419 45.106 -2.687 1 1 1122 . 7 1 1 A 98 98 LEU N N 98 122.396 121.859 0.537 1 1 1123 . 7 1 1 A 99 99 SER H H 99 8.333 7.891 0.442 1 1 1124 . 7 1 1 A 99 99 SER HA H 99 4.483 4.430 0.053 1 1 1127 . 7 1 1 A 99 99 SER C C 99 174.489 174.172 0.317 1 1 1128 . 7 1 1 A 99 99 SER CA C 99 58.138 59.148 -1.010 1 1 1129 . 7 1 1 A 99 99 SER CB C 99 63.846 63.487 0.359 1 1 1130 . 7 1 1 A 99 99 SER N N 99 116.892 110.934 5.958 1 1 1131 . 7 1 1 A 100 100 GLY H H 100 8.253 8.520 -0.267 1 1 1132 . 7 1 1 A 100 100 GLY HA2 H 100 4.177 4.101 0.076 1 1 1133 . 7 1 1 A 100 100 GLY HA3 H 100 4.101 4.102 -0.001 1 1 1134 . 7 1 1 A 100 100 GLY C C 100 171.838 173.316 -1.478 1 1 1135 . 7 1 1 A 100 100 GLY CA C 100 44.679 45.009 -0.330 1 1 1136 . 7 1 1 A 100 100 GLY N N 100 110.703 109.837 0.866 1 1 1137 . 7 1 1 A 101 101 PRO HA H 101 4.480 4.748 -0.268 1 1 1144 . 7 1 1 A 101 101 PRO C C 101 177.411 175.846 1.565 1 1 1145 . 7 1 1 A 101 101 PRO CA C 101 63.312 62.823 0.489 1 1 1146 . 7 1 1 A 101 101 PRO CB C 101 32.158 31.533 0.625 1 1 1149 . 7 1 1 A 102 102 SER H H 102 8.517 8.901 -0.384 1 1 1150 . 7 1 1 A 102 102 SER C C 102 174.655 174.561 0.094 1 1 1151 . 7 1 1 A 102 102 SER CA C 102 58.438 57.834 0.604 1 1 1152 . 7 1 1 A 102 102 SER CB C 102 63.970 63.509 0.461 1 1 1 . 8 1 1 A 2 2 SER HA H 2 4.493 5.326 -0.833 1 1 4 . 8 1 1 A 2 2 SER C C 2 174.671 173.330 1.341 1 1 5 . 8 1 1 A 2 2 SER CA C 2 58.438 56.974 1.464 1 1 6 . 8 1 1 A 2 2 SER CB C 2 63.558 66.304 -2.746 1 1 7 . 8 1 1 A 3 3 SER H H 3 8.324 8.648 -0.324 1 1 8 . 8 1 1 A 3 3 SER HA H 3 4.493 5.080 -0.587 1 1 11 . 8 1 1 A 3 3 SER C C 3 173.918 173.994 -0.076 1 1 12 . 8 1 1 A 3 3 SER CA C 3 58.455 56.293 2.162 1 1 13 . 8 1 1 A 3 3 SER CB C 3 63.929 65.715 -1.786 1 1 14 . 8 1 1 A 3 3 SER N N 3 117.862 116.343 1.519 1 1 15 . 8 1 1 A 4 4 GLY H H 4 8.045 8.280 -0.235 1 1 16 . 8 1 1 A 4 4 GLY C C 4 179.001 173.698 5.303 1 1 17 . 8 1 1 A 4 4 GLY CA C 4 46.201 44.450 1.751 1 1 18 . 8 1 1 A 4 4 GLY N N 4 116.862 109.524 7.338 1 1 19 . 8 1 1 A 6 6 SER HA H 6 4.461 4.744 -0.283 1 1 22 . 8 1 1 A 6 6 SER C C 6 175.170 174.683 0.487 1 1 23 . 8 1 1 A 6 6 SER CA C 6 58.755 59.185 -0.430 1 1 24 . 8 1 1 A 6 6 SER CB C 6 63.862 63.267 0.595 1 1 25 . 8 1 1 A 7 7 GLY H H 7 8.432 8.774 -0.342 1 1 26 . 8 1 1 A 7 7 GLY HA2 H 7 3.966 4.352 -0.386 1 1 27 . 8 1 1 A 7 7 GLY C C 7 174.309 173.144 1.165 1 1 28 . 8 1 1 A 7 7 GLY CA C 7 45.408 44.279 1.129 1 1 29 . 8 1 1 A 7 7 GLY N N 7 110.678 114.007 -3.329 1 1 30 . 8 1 1 A 8 8 GLN H H 8 8.210 8.689 -0.479 1 1 31 . 8 1 1 A 8 8 GLN HA H 8 4.324 4.838 -0.514 1 1 38 . 8 1 1 A 8 8 GLN C C 8 176.037 174.610 1.427 1 1 39 . 8 1 1 A 8 8 GLN CA C 8 55.970 55.198 0.772 1 1 40 . 8 1 1 A 8 8 GLN CB C 8 29.562 29.067 0.495 1 1 42 . 8 1 1 A 8 8 GLN N N 8 119.977 119.161 0.816 1 1 44 . 8 1 1 A 9 9 ALA H H 9 8.394 8.833 -0.439 1 1 45 . 8 1 1 A 9 9 ALA HA H 9 4.319 5.551 -1.232 1 1 49 . 8 1 1 A 9 9 ALA C C 9 177.635 175.890 1.745 1 1 50 . 8 1 1 A 9 9 ALA CA C 9 52.531 50.699 1.832 1 1 51 . 8 1 1 A 9 9 ALA CB C 9 19.136 21.850 -2.714 1 1 52 . 8 1 1 A 9 9 ALA N N 9 125.301 128.570 -3.269 1 1 53 . 8 1 1 A 10 10 SER H H 10 8.259 8.900 -0.641 1 1 54 . 8 1 1 A 10 10 SER HA H 10 4.440 4.797 -0.357 1 1 57 . 8 1 1 A 10 10 SER C C 10 175.138 174.501 0.637 1 1 58 . 8 1 1 A 10 10 SER CA C 10 58.649 57.298 1.351 1 1 59 . 8 1 1 A 10 10 SER CB C 10 63.888 65.350 -1.462 1 1 60 . 8 1 1 A 10 10 SER N N 10 114.874 118.563 -3.689 1 1 61 . 8 1 1 A 11 11 GLY H H 11 8.493 9.033 -0.540 1 1 62 . 8 1 1 A 11 11 GLY HA2 H 11 4.039 3.807 0.232 1 1 63 . 8 1 1 A 11 11 GLY HA3 H 11 4.039 3.940 0.099 1 1 64 . 8 1 1 A 11 11 GLY C C 11 173.678 174.360 -0.682 1 1 65 . 8 1 1 A 11 11 GLY CA C 11 45.531 45.371 0.160 1 1 66 . 8 1 1 A 11 11 GLY N N 11 110.301 114.714 -4.413 1 1 67 . 8 1 1 A 12 12 HIS H H 12 7.970 6.884 1.086 1 1 68 . 8 1 1 A 12 12 HIS HA H 12 5.442 4.390 1.052 1 1 73 . 8 1 1 A 12 12 HIS C C 12 175.304 174.947 0.357 1 1 74 . 8 1 1 A 12 12 HIS CA C 12 55.095 56.997 -1.902 1 1 75 . 8 1 1 A 12 12 HIS CB C 12 31.849 30.433 1.416 1 1 78 . 8 1 1 A 12 12 HIS N N 12 119.432 119.161 0.271 1 1 79 . 8 1 1 A 13 13 PHE H H 13 8.940 8.735 0.205 1 1 80 . 8 1 1 A 13 13 PHE HA H 13 5.072 5.576 -0.504 1 1 88 . 8 1 1 A 13 13 PHE C C 13 172.688 173.236 -0.548 1 1 89 . 8 1 1 A 13 13 PHE CA C 13 56.269 54.992 1.277 1 1 90 . 8 1 1 A 13 13 PHE CB C 13 40.835 42.183 -1.348 1 1 96 . 8 1 1 A 13 13 PHE N N 13 118.413 121.761 -3.348 1 1 97 . 8 1 1 A 14 14 SER H H 14 8.709 9.077 -0.368 1 1 98 . 8 1 1 A 14 14 SER HA H 14 5.580 5.610 -0.030 1 1 101 . 8 1 1 A 14 14 SER C C 14 174.119 174.205 -0.086 1 1 102 . 8 1 1 A 14 14 SER CA C 14 56.974 55.283 1.691 1 1 103 . 8 1 1 A 14 14 SER CB C 14 65.778 66.080 -0.302 1 1 104 . 8 1 1 A 14 14 SER N N 14 115.082 113.794 1.288 1 1 105 . 8 1 1 A 15 15 VAL H H 15 8.801 8.492 0.309 1 1 106 . 8 1 1 A 15 15 VAL HA H 15 4.373 4.660 -0.287 1 1 114 . 8 1 1 A 15 15 VAL C C 15 173.002 174.696 -1.694 1 1 115 . 8 1 1 A 15 15 VAL CA C 15 61.312 61.429 -0.117 1 1 116 . 8 1 1 A 15 15 VAL CB C 15 36.461 33.514 2.947 1 1 119 . 8 1 1 A 15 15 VAL N N 15 121.148 121.910 -0.762 1 1 120 . 8 1 1 A 16 16 GLU H H 16 8.383 9.013 -0.630 1 1 121 . 8 1 1 A 16 16 GLU HA H 16 5.299 5.074 0.225 1 1 126 . 8 1 1 A 16 16 GLU C C 16 175.408 175.338 0.070 1 1 127 . 8 1 1 A 16 16 GLU CA C 16 54.594 55.472 -0.878 1 1 128 . 8 1 1 A 16 16 GLU CB C 16 31.993 30.656 1.337 1 1 130 . 8 1 1 A 16 16 GLU N N 16 125.925 127.411 -1.486 1 1 131 . 8 1 1 A 17 17 LEU H H 17 9.172 8.527 0.645 1 1 132 . 8 1 1 A 17 17 LEU HA H 17 5.000 5.165 -0.165 1 1 142 . 8 1 1 A 17 17 LEU C C 17 175.596 175.834 -0.238 1 1 143 . 8 1 1 A 17 17 LEU CA C 17 52.919 53.492 -0.573 1 1 144 . 8 1 1 A 17 17 LEU CB C 17 47.317 45.629 1.688 1 1 148 . 8 1 1 A 17 17 LEU N N 17 122.761 125.873 -3.112 1 1 149 . 8 1 1 A 18 18 VAL H H 18 8.546 9.005 -0.459 1 1 150 . 8 1 1 A 18 18 VAL HA H 18 4.831 4.685 0.146 1 1 158 . 8 1 1 A 18 18 VAL C C 18 175.783 175.993 -0.210 1 1 159 . 8 1 1 A 18 18 VAL CA C 18 61.277 61.167 0.110 1 1 160 . 8 1 1 A 18 18 VAL CB C 18 33.600 33.880 -0.280 1 1 163 . 8 1 1 A 18 18 VAL N N 18 122.523 122.171 0.352 1 1 164 . 8 1 1 A 19 19 ARG H H 19 8.495 8.226 0.269 1 1 165 . 8 1 1 A 19 19 ARG HA H 19 2.868 2.796 0.072 1 1 172 . 8 1 1 A 19 19 ARG C C 19 176.248 175.417 0.831 1 1 173 . 8 1 1 A 19 19 ARG CA C 19 58.138 56.787 1.351 1 1 174 . 8 1 1 A 19 19 ARG CB C 19 30.839 30.325 0.514 1 1 177 . 8 1 1 A 19 19 ARG N N 19 127.015 127.750 -0.735 1 1 178 . 8 1 1 A 20 20 GLY H H 20 7.244 7.960 -0.716 1 1 179 . 8 1 1 A 20 20 GLY HA2 H 20 4.504 4.021 0.483 1 1 180 . 8 1 1 A 20 20 GLY HA3 H 20 3.750 4.041 -0.291 1 1 181 . 8 1 1 A 20 20 GLY C C 20 175.286 172.633 2.653 1 1 182 . 8 1 1 A 20 20 GLY CA C 20 44.131 44.615 -0.484 1 1 183 . 8 1 1 A 20 20 GLY N N 20 112.266 112.379 -0.113 1 1 184 . 8 1 1 A 21 21 TYR HA H 21 4.219 4.541 -0.322 1 1 191 . 8 1 1 A 21 21 TYR C C 21 176.309 175.334 0.975 1 1 192 . 8 1 1 A 21 21 TYR CA C 21 60.518 57.902 2.616 1 1 193 . 8 1 1 A 21 21 TYR CB C 21 37.826 39.246 -1.420 1 1 198 . 8 1 1 A 22 22 ALA H H 22 8.272 8.697 -0.425 1 1 199 . 8 1 1 A 22 22 ALA HA H 22 4.404 3.766 0.638 1 1 203 . 8 1 1 A 22 22 ALA C C 22 177.312 176.444 0.868 1 1 204 . 8 1 1 A 22 22 ALA CA C 22 50.816 52.990 -2.174 1 1 205 . 8 1 1 A 22 22 ALA CB C 22 18.455 18.007 0.448 1 1 206 . 8 1 1 A 22 22 ALA N N 22 121.539 129.055 -7.516 1 1 207 . 8 1 1 A 23 23 GLY H H 23 7.495 8.092 -0.597 1 1 208 . 8 1 1 A 23 23 GLY HA2 H 23 4.541 3.883 0.658 1 1 209 . 8 1 1 A 23 23 GLY HA3 H 23 3.238 3.987 -0.749 1 1 210 . 8 1 1 A 23 23 GLY C C 23 175.043 174.916 0.127 1 1 211 . 8 1 1 A 23 23 GLY CA C 23 44.897 43.742 1.155 1 1 212 . 8 1 1 A 23 23 GLY N N 23 106.744 103.565 3.179 1 1 213 . 8 1 1 A 24 24 PHE H H 24 7.242 8.680 -1.438 1 1 214 . 8 1 1 A 24 24 PHE HA H 24 4.369 4.561 -0.192 1 1 222 . 8 1 1 A 24 24 PHE C C 24 175.902 176.130 -0.228 1 1 223 . 8 1 1 A 24 24 PHE CA C 24 60.347 58.206 2.141 1 1 224 . 8 1 1 A 24 24 PHE CB C 24 39.575 39.696 -0.121 1 1 230 . 8 1 1 A 25 25 GLY H H 25 8.820 8.485 0.335 1 1 231 . 8 1 1 A 25 25 GLY HA2 H 25 4.134 4.004 0.130 1 1 232 . 8 1 1 A 25 25 GLY HA3 H 25 3.913 4.014 -0.101 1 1 233 . 8 1 1 A 25 25 GLY C C 25 174.585 174.187 0.398 1 1 234 . 8 1 1 A 25 25 GLY CA C 25 47.030 45.982 1.048 1 1 235 . 8 1 1 A 25 25 GLY N N 25 107.899 109.337 -1.438 1 1 236 . 8 1 1 A 26 26 LEU H H 26 7.991 7.861 0.130 1 1 237 . 8 1 1 A 26 26 LEU HA H 26 4.990 4.818 0.172 1 1 247 . 8 1 1 A 26 26 LEU C C 26 174.135 175.087 -0.952 1 1 248 . 8 1 1 A 26 26 LEU CA C 26 53.906 53.549 0.357 1 1 249 . 8 1 1 A 26 26 LEU CB C 26 45.939 44.398 1.541 1 1 253 . 8 1 1 A 26 26 LEU N N 26 122.133 122.707 -0.574 1 1 254 . 8 1 1 A 27 27 THR H H 27 8.657 8.780 -0.123 1 1 255 . 8 1 1 A 27 27 THR HA H 27 4.662 5.177 -0.515 1 1 260 . 8 1 1 A 27 27 THR C C 27 174.074 173.443 0.631 1 1 261 . 8 1 1 A 27 27 THR CA C 27 61.382 61.233 0.149 1 1 262 . 8 1 1 A 27 27 THR CB C 27 70.010 71.874 -1.864 1 1 264 . 8 1 1 A 27 27 THR N N 27 121.262 122.621 -1.359 1 1 265 . 8 1 1 A 28 28 LEU H H 28 9.692 8.858 0.834 1 1 266 . 8 1 1 A 28 28 LEU HA H 28 5.297 5.271 0.026 1 1 276 . 8 1 1 A 28 28 LEU C C 28 175.414 176.279 -0.865 1 1 277 . 8 1 1 A 28 28 LEU CA C 28 53.219 53.310 -0.091 1 1 278 . 8 1 1 A 28 28 LEU CB C 28 45.049 45.075 -0.026 1 1 282 . 8 1 1 A 28 28 LEU N N 28 128.374 124.858 3.516 1 1 283 . 8 1 1 A 29 29 GLY H H 29 8.818 8.552 0.266 1 1 284 . 8 1 1 A 29 29 GLY HA2 H 29 4.089 4.112 -0.023 1 1 285 . 8 1 1 A 29 29 GLY HA3 H 29 3.664 4.152 -0.488 1 1 286 . 8 1 1 A 29 29 GLY C C 29 171.700 173.987 -2.287 1 1 287 . 8 1 1 A 29 29 GLY CA C 29 44.086 44.682 -0.596 1 1 288 . 8 1 1 A 29 29 GLY N N 29 106.574 110.239 -3.665 1 1 289 . 8 1 1 A 30 30 GLY H H 30 8.339 8.221 0.118 1 1 290 . 8 1 1 A 30 30 GLY HA2 H 30 4.434 4.061 0.373 1 1 291 . 8 1 1 A 30 30 GLY HA3 H 30 3.554 4.088 -0.534 1 1 292 . 8 1 1 A 30 30 GLY C C 30 174.290 173.499 0.791 1 1 293 . 8 1 1 A 30 30 GLY CA C 30 44.879 44.136 0.743 1 1 294 . 8 1 1 A 30 30 GLY N N 30 107.245 111.781 -4.536 1 1 295 . 8 1 1 A 31 31 GLY H H 31 7.292 8.184 -0.892 1 1 296 . 8 1 1 A 31 31 GLY HA2 H 31 4.439 4.029 0.410 1 1 297 . 8 1 1 A 31 31 GLY HA3 H 31 4.000 4.036 -0.036 1 1 298 . 8 1 1 A 31 31 GLY C C 31 174.513 173.479 1.034 1 1 299 . 8 1 1 A 31 31 GLY CA C 31 43.589 45.016 -1.427 1 1 300 . 8 1 1 A 31 31 GLY N N 31 107.984 108.445 -0.461 1 1 301 . 8 1 1 A 32 32 ARG H H 32 8.065 8.422 -0.357 1 1 302 . 8 1 1 A 32 32 ARG HA H 32 4.380 4.698 -0.318 1 1 309 . 8 1 1 A 32 32 ARG C C 32 176.139 174.399 1.740 1 1 310 . 8 1 1 A 32 32 ARG CA C 32 57.354 55.215 2.139 1 1 311 . 8 1 1 A 32 32 ARG CB C 32 30.080 31.643 -1.563 1 1 314 . 8 1 1 A 32 32 ARG N N 32 121.733 123.359 -1.626 1 1 315 . 8 1 1 A 33 33 ASP H H 33 8.916 8.947 -0.031 1 1 316 . 8 1 1 A 33 33 ASP HA H 33 4.799 5.018 -0.219 1 1 319 . 8 1 1 A 33 33 ASP C C 33 176.381 176.557 -0.176 1 1 320 . 8 1 1 A 33 33 ASP CA C 33 53.783 52.868 0.915 1 1 321 . 8 1 1 A 33 33 ASP CB C 33 43.712 43.023 0.689 1 1 322 . 8 1 1 A 33 33 ASP N N 33 126.313 126.966 -0.653 1 1 323 . 8 1 1 A 34 34 VAL H H 34 8.372 8.544 -0.172 1 1 324 . 8 1 1 A 34 34 VAL HA H 34 3.943 3.878 0.065 1 1 329 . 8 1 1 A 34 34 VAL C C 34 176.591 176.471 0.120 1 1 330 . 8 1 1 A 34 34 VAL CA C 34 64.644 64.875 -0.231 1 1 331 . 8 1 1 A 34 34 VAL CB C 34 31.796 31.916 -0.120 1 1 333 . 8 1 1 A 34 34 VAL N N 34 121.465 125.249 -3.784 1 1 334 . 8 1 1 A 35 35 ALA H H 35 8.577 7.844 0.733 1 1 335 . 8 1 1 A 35 35 ALA HA H 35 4.386 4.540 -0.154 1 1 339 . 8 1 1 A 35 35 ALA C C 35 177.532 176.547 0.985 1 1 340 . 8 1 1 A 35 35 ALA CA C 35 52.589 51.312 1.277 1 1 341 . 8 1 1 A 35 35 ALA CB C 35 19.095 19.857 -0.762 1 1 342 . 8 1 1 A 35 35 ALA N N 35 123.222 120.938 2.284 1 1 343 . 8 1 1 A 36 36 GLY H H 36 7.816 7.604 0.212 1 1 344 . 8 1 1 A 36 36 GLY HA2 H 36 4.274 4.026 0.248 1 1 345 . 8 1 1 A 36 36 GLY HA3 H 36 3.723 4.029 -0.306 1 1 346 . 8 1 1 A 36 36 GLY C C 36 172.610 172.242 0.368 1 1 347 . 8 1 1 A 36 36 GLY CA C 36 45.161 45.756 -0.595 1 1 348 . 8 1 1 A 36 36 GLY N N 36 107.925 106.948 0.977 1 1 349 . 8 1 1 A 37 37 ASP H H 37 8.604 8.857 -0.253 1 1 350 . 8 1 1 A 37 37 ASP HA H 37 4.810 5.413 -0.603 1 1 353 . 8 1 1 A 37 37 ASP C C 37 176.081 174.442 1.639 1 1 354 . 8 1 1 A 37 37 ASP CA C 37 54.700 53.045 1.655 1 1 355 . 8 1 1 A 37 37 ASP CB C 37 41.076 42.747 -1.671 1 1 356 . 8 1 1 A 37 37 ASP N N 37 124.969 119.848 5.121 1 1 357 . 8 1 1 A 38 38 THR H H 38 7.679 9.078 -1.399 1 1 358 . 8 1 1 A 38 38 THR HA H 38 4.704 5.084 -0.380 1 1 363 . 8 1 1 A 38 38 THR C C 38 172.712 171.469 1.243 1 1 364 . 8 1 1 A 38 38 THR CA C 38 59.810 58.355 1.455 1 1 365 . 8 1 1 A 38 38 THR CB C 38 70.420 70.542 -0.122 1 1 367 . 8 1 1 A 38 38 THR N N 38 116.498 114.944 1.554 1 1 368 . 8 1 1 A 39 39 PRO HA H 39 4.305 4.524 -0.219 1 1 375 . 8 1 1 A 39 39 PRO C C 39 176.355 176.955 -0.600 1 1 376 . 8 1 1 A 39 39 PRO CA C 39 63.304 62.720 0.584 1 1 377 . 8 1 1 A 39 39 PRO CB C 39 32.703 31.733 0.970 1 1 380 . 8 1 1 A 40 40 LEU H H 40 8.247 8.198 0.049 1 1 381 . 8 1 1 A 40 40 LEU HA H 40 4.704 4.215 0.489 1 1 391 . 8 1 1 A 40 40 LEU C C 40 176.631 177.195 -0.564 1 1 392 . 8 1 1 A 40 40 LEU CA C 40 55.352 55.372 -0.020 1 1 393 . 8 1 1 A 40 40 LEU CB C 40 42.524 42.242 0.282 1 1 397 . 8 1 1 A 40 40 LEU N N 40 125.558 124.123 1.435 1 1 398 . 8 1 1 A 41 41 ALA H H 41 8.856 8.644 0.212 1 1 399 . 8 1 1 A 41 41 ALA HA H 41 5.465 5.171 0.294 1 1 403 . 8 1 1 A 41 41 ALA C C 41 176.658 176.398 0.260 1 1 404 . 8 1 1 A 41 41 ALA CA C 41 50.503 51.272 -0.769 1 1 405 . 8 1 1 A 41 41 ALA CB C 41 24.074 22.850 1.224 1 1 406 . 8 1 1 A 41 41 ALA N N 41 128.426 126.215 2.211 1 1 407 . 8 1 1 A 42 42 VAL H H 42 9.160 8.787 0.373 1 1 408 . 8 1 1 A 42 42 VAL HA H 42 3.803 4.142 -0.339 1 1 416 . 8 1 1 A 42 42 VAL C C 42 176.499 175.748 0.751 1 1 417 . 8 1 1 A 42 42 VAL CA C 42 64.196 63.822 0.374 1 1 418 . 8 1 1 A 42 42 VAL CB C 42 31.773 32.034 -0.261 1 1 421 . 8 1 1 A 42 42 VAL N N 42 119.342 122.984 -3.642 1 1 422 . 8 1 1 A 43 43 ARG H H 43 9.385 9.167 0.218 1 1 423 . 8 1 1 A 43 43 ARG HA H 43 4.527 4.473 0.054 1 1 430 . 8 1 1 A 43 43 ARG C C 43 175.332 175.799 -0.467 1 1 431 . 8 1 1 A 43 43 ARG CA C 43 55.340 57.093 -1.753 1 1 432 . 8 1 1 A 43 43 ARG CB C 43 32.242 32.482 -0.240 1 1 435 . 8 1 1 A 43 43 ARG N N 43 131.043 127.872 3.171 1 1 436 . 8 1 1 A 44 44 GLY H H 44 7.872 7.861 0.011 1 1 437 . 8 1 1 A 44 44 GLY HA2 H 44 4.155 4.175 -0.020 1 1 438 . 8 1 1 A 44 44 GLY HA3 H 44 3.765 4.179 -0.414 1 1 439 . 8 1 1 A 44 44 GLY C C 44 170.284 171.995 -1.711 1 1 440 . 8 1 1 A 44 44 GLY CA C 44 45.602 44.041 1.561 1 1 441 . 8 1 1 A 44 44 GLY N N 44 107.517 107.734 -0.217 1 1 442 . 8 1 1 A 45 45 LEU H H 45 8.455 9.288 -0.833 1 1 443 . 8 1 1 A 45 45 LEU HA H 45 4.915 4.915 0.000 1 1 453 . 8 1 1 A 45 45 LEU C C 45 175.215 176.613 -1.398 1 1 454 . 8 1 1 A 45 45 LEU CA C 45 52.795 54.196 -1.401 1 1 455 . 8 1 1 A 45 45 LEU CB C 45 44.824 43.964 0.860 1 1 459 . 8 1 1 A 45 45 LEU N N 45 121.812 122.755 -0.943 1 1 460 . 8 1 1 A 46 46 LEU H H 46 7.582 8.838 -1.256 1 1 461 . 8 1 1 A 46 46 LEU HA H 46 4.208 4.299 -0.091 1 1 471 . 8 1 1 A 46 46 LEU C C 46 177.935 176.305 1.630 1 1 472 . 8 1 1 A 46 46 LEU CA C 46 54.984 56.047 -1.063 1 1 473 . 8 1 1 A 46 46 LEU CB C 46 42.815 43.062 -0.247 1 1 477 . 8 1 1 A 46 46 LEU N N 46 124.670 128.535 -3.865 1 1 478 . 8 1 1 A 47 47 LYS H H 47 8.959 8.660 0.299 1 1 479 . 8 1 1 A 47 47 LYS HA H 47 3.875 3.951 -0.076 1 1 488 . 8 1 1 A 47 47 LYS C C 47 176.699 177.018 -0.319 1 1 489 . 8 1 1 A 47 47 LYS CA C 47 58.861 58.093 0.768 1 1 490 . 8 1 1 A 47 47 LYS CB C 47 32.076 32.208 -0.132 1 1 494 . 8 1 1 A 47 47 LYS N N 47 129.726 126.571 3.155 1 1 495 . 8 1 1 A 48 48 ASP H H 48 8.845 9.079 -0.234 1 1 496 . 8 1 1 A 48 48 ASP HA H 48 4.395 4.248 0.147 1 1 499 . 8 1 1 A 48 48 ASP C C 48 175.442 175.351 0.091 1 1 500 . 8 1 1 A 48 48 ASP CA C 48 56.632 55.082 1.550 1 1 501 . 8 1 1 A 48 48 ASP CB C 48 39.740 39.737 0.003 1 1 502 . 8 1 1 A 48 48 ASP N N 48 119.883 126.052 -6.169 1 1 503 . 8 1 1 A 49 49 GLY H H 49 7.947 8.014 -0.067 1 1 504 . 8 1 1 A 49 49 GLY HA2 H 49 4.578 4.106 0.472 1 1 505 . 8 1 1 A 49 49 GLY HA3 H 49 3.748 4.116 -0.368 1 1 506 . 8 1 1 A 49 49 GLY C C 49 172.008 174.697 -2.689 1 1 507 . 8 1 1 A 49 49 GLY CA C 49 45.000 43.967 1.033 1 1 508 . 8 1 1 A 49 49 GLY N N 49 106.565 108.394 -1.829 1 1 509 . 8 1 1 A 50 50 PRO HA H 50 4.268 4.447 -0.179 1 1 516 . 8 1 1 A 50 50 PRO C C 50 179.273 177.895 1.378 1 1 517 . 8 1 1 A 50 50 PRO CA C 50 65.791 64.906 0.885 1 1 518 . 8 1 1 A 50 50 PRO CB C 50 32.532 32.030 0.502 1 1 521 . 8 1 1 A 51 51 ALA H H 51 7.805 8.313 -0.508 1 1 522 . 8 1 1 A 51 51 ALA HA H 51 4.167 4.219 -0.052 1 1 526 . 8 1 1 A 51 51 ALA C C 51 178.947 180.047 -1.100 1 1 527 . 8 1 1 A 51 51 ALA CA C 51 55.079 55.076 0.003 1 1 528 . 8 1 1 A 51 51 ALA CB C 51 18.988 19.084 -0.096 1 1 529 . 8 1 1 A 51 51 ALA N N 51 119.037 119.971 -0.934 1 1 530 . 8 1 1 A 52 52 GLN H H 52 9.614 8.064 1.550 1 1 531 . 8 1 1 A 52 52 GLN HA H 52 3.969 3.998 -0.029 1 1 538 . 8 1 1 A 52 52 GLN C C 52 178.509 178.044 0.465 1 1 539 . 8 1 1 A 52 52 GLN CA C 52 59.529 59.282 0.247 1 1 540 . 8 1 1 A 52 52 GLN CB C 52 29.107 28.570 0.537 1 1 542 . 8 1 1 A 52 52 GLN N N 52 122.017 117.990 4.027 1 1 544 . 8 1 1 A 53 53 ARG H H 53 8.524 8.104 0.420 1 1 545 . 8 1 1 A 53 53 ARG HA H 53 3.996 4.054 -0.058 1 1 552 . 8 1 1 A 53 53 ARG C C 53 178.479 179.105 -0.626 1 1 553 . 8 1 1 A 53 53 ARG CA C 53 58.825 59.562 -0.737 1 1 554 . 8 1 1 A 53 53 ARG CB C 53 30.546 30.212 0.334 1 1 557 . 8 1 1 A 53 53 ARG N N 53 116.703 118.307 -1.604 1 1 558 . 8 1 1 A 54 54 CYS H H 54 7.589 7.924 -0.335 1 1 559 . 8 1 1 A 54 54 CYS HA H 54 4.641 4.357 0.284 1 1 562 . 8 1 1 A 54 54 CYS C C 54 175.840 175.316 0.524 1 1 563 . 8 1 1 A 54 54 CYS CA C 54 59.724 60.465 -0.741 1 1 564 . 8 1 1 A 54 54 CYS CB C 54 27.419 27.786 -0.367 1 1 565 . 8 1 1 A 54 54 CYS N N 54 113.424 118.023 -4.599 1 1 566 . 8 1 1 A 55 55 GLY H H 55 7.436 7.350 0.086 1 1 567 . 8 1 1 A 55 55 GLY HA2 H 55 4.082 3.959 0.123 1 1 568 . 8 1 1 A 55 55 GLY HA3 H 55 4.082 3.970 0.112 1 1 569 . 8 1 1 A 55 55 GLY C C 55 174.435 175.805 -1.370 1 1 570 . 8 1 1 A 55 55 GLY CA C 55 46.977 45.445 1.532 1 1 571 . 8 1 1 A 55 55 GLY N N 55 109.572 108.553 1.019 1 1 572 . 8 1 1 A 56 56 ARG H H 56 7.860 8.138 -0.278 1 1 573 . 8 1 1 A 56 56 ARG HA H 56 4.472 3.984 0.488 1 1 580 . 8 1 1 A 56 56 ARG C C 56 174.959 176.763 -1.804 1 1 581 . 8 1 1 A 56 56 ARG CA C 56 55.687 58.785 -3.098 1 1 582 . 8 1 1 A 56 56 ARG CB C 56 32.785 30.231 2.554 1 1 585 . 8 1 1 A 56 56 ARG N N 56 118.137 120.050 -1.913 1 1 586 . 8 1 1 A 57 57 LEU H H 57 8.219 8.036 0.183 1 1 587 . 8 1 1 A 57 57 LEU HA H 57 4.926 4.781 0.145 1 1 597 . 8 1 1 A 57 57 LEU C C 57 175.333 175.943 -0.610 1 1 598 . 8 1 1 A 57 57 LEU CA C 57 53.043 53.600 -0.557 1 1 599 . 8 1 1 A 57 57 LEU CB C 57 46.459 43.481 2.978 1 1 603 . 8 1 1 A 57 57 LEU N N 57 117.496 119.821 -2.325 1 1 604 . 8 1 1 A 58 58 GLU H H 58 9.053 8.862 0.191 1 1 605 . 8 1 1 A 58 58 GLU HA H 58 4.460 4.933 -0.473 1 1 610 . 8 1 1 A 58 58 GLU C C 58 175.683 176.257 -0.574 1 1 611 . 8 1 1 A 58 58 GLU CA C 58 54.144 54.266 -0.122 1 1 612 . 8 1 1 A 58 58 GLU CB C 58 33.286 33.746 -0.460 1 1 614 . 8 1 1 A 58 58 GLU N N 58 121.883 123.252 -1.369 1 1 615 . 8 1 1 A 59 59 VAL H H 59 8.727 8.557 0.170 1 1 616 . 8 1 1 A 59 59 VAL HA H 59 3.213 3.578 -0.365 1 1 624 . 8 1 1 A 59 59 VAL C C 59 177.728 177.001 0.727 1 1 625 . 8 1 1 A 59 59 VAL CA C 59 65.823 65.595 0.228 1 1 626 . 8 1 1 A 59 59 VAL CB C 59 31.151 31.225 -0.074 1 1 629 . 8 1 1 A 59 59 VAL N N 59 121.698 122.825 -1.127 1 1 630 . 8 1 1 A 60 60 GLY H H 60 9.172 8.576 0.596 1 1 631 . 8 1 1 A 60 60 GLY HA2 H 60 4.500 4.005 0.495 1 1 632 . 8 1 1 A 60 60 GLY HA3 H 60 3.469 4.009 -0.540 1 1 633 . 8 1 1 A 60 60 GLY C C 60 173.646 174.078 -0.432 1 1 634 . 8 1 1 A 60 60 GLY CA C 60 44.148 44.997 -0.849 1 1 635 . 8 1 1 A 60 60 GLY N N 60 117.734 115.503 2.231 1 1 636 . 8 1 1 A 61 61 ASP H H 61 7.877 7.759 0.118 1 1 637 . 8 1 1 A 61 61 ASP HA H 61 4.551 4.593 -0.042 1 1 640 . 8 1 1 A 61 61 ASP C C 61 175.437 175.265 0.172 1 1 641 . 8 1 1 A 61 61 ASP CA C 61 56.057 55.460 0.597 1 1 642 . 8 1 1 A 61 61 ASP CB C 61 40.660 41.789 -1.129 1 1 643 . 8 1 1 A 61 61 ASP N N 61 121.399 121.893 -0.494 1 1 644 . 8 1 1 A 62 62 LEU H H 62 8.773 8.534 0.239 1 1 645 . 8 1 1 A 62 62 LEU HA H 62 4.713 4.919 -0.206 1 1 655 . 8 1 1 A 62 62 LEU C C 62 176.560 175.768 0.792 1 1 656 . 8 1 1 A 62 62 LEU CA C 62 54.259 53.369 0.890 1 1 657 . 8 1 1 A 62 62 LEU CB C 62 42.022 43.075 -1.053 1 1 661 . 8 1 1 A 62 62 LEU N N 62 120.566 123.287 -2.721 1 1 662 . 8 1 1 A 63 63 VAL H H 63 8.121 8.669 -0.548 1 1 663 . 8 1 1 A 63 63 VAL HA H 63 4.113 4.223 -0.110 1 1 671 . 8 1 1 A 63 63 VAL C C 63 175.468 175.472 -0.004 1 1 672 . 8 1 1 A 63 63 VAL CA C 63 61.763 62.319 -0.556 1 1 673 . 8 1 1 A 63 63 VAL CB C 63 31.413 32.045 -0.632 1 1 676 . 8 1 1 A 63 63 VAL N N 63 121.172 123.982 -2.810 1 1 677 . 8 1 1 A 64 64 LEU H H 64 9.077 8.696 0.381 1 1 678 . 8 1 1 A 64 64 LEU HA H 64 4.113 4.114 -0.001 1 1 688 . 8 1 1 A 64 64 LEU C C 64 177.611 176.336 1.275 1 1 689 . 8 1 1 A 64 64 LEU CA C 64 56.614 55.787 0.827 1 1 690 . 8 1 1 A 64 64 LEU CB C 64 42.994 42.043 0.951 1 1 694 . 8 1 1 A 64 64 LEU N N 64 130.175 128.006 2.169 1 1 695 . 8 1 1 A 65 65 HIS H H 65 7.510 7.538 -0.028 1 1 696 . 8 1 1 A 65 65 HIS HA H 65 5.297 5.160 0.137 1 1 701 . 8 1 1 A 65 65 HIS C C 65 174.833 173.710 1.123 1 1 702 . 8 1 1 A 65 65 HIS CA C 65 55.715 54.469 1.246 1 1 703 . 8 1 1 A 65 65 HIS CB C 65 35.813 34.397 1.416 1 1 706 . 8 1 1 A 65 65 HIS N N 65 115.096 113.923 1.173 1 1 707 . 8 1 1 A 66 66 ILE H H 66 8.675 8.497 0.178 1 1 708 . 8 1 1 A 66 66 ILE HA H 66 4.320 4.433 -0.113 1 1 718 . 8 1 1 A 66 66 ILE C C 66 175.571 176.004 -0.433 1 1 719 . 8 1 1 A 66 66 ILE CA C 66 60.510 60.211 0.299 1 1 720 . 8 1 1 A 66 66 ILE CB C 66 41.360 40.696 0.664 1 1 724 . 8 1 1 A 66 66 ILE N N 66 119.474 119.461 0.013 1 1 725 . 8 1 1 A 67 67 ASN H H 67 10.170 9.453 0.717 1 1 726 . 8 1 1 A 67 67 ASN HA H 67 4.595 4.556 0.039 1 1 731 . 8 1 1 A 67 67 ASN C C 67 175.349 175.513 -0.164 1 1 732 . 8 1 1 A 67 67 ASN CA C 67 54.589 54.614 -0.025 1 1 733 . 8 1 1 A 67 67 ASN CB C 67 37.267 37.460 -0.193 1 1 734 . 8 1 1 A 67 67 ASN N N 67 129.216 127.418 1.798 1 1 736 . 8 1 1 A 68 68 GLY H H 68 9.396 8.769 0.627 1 1 737 . 8 1 1 A 68 68 GLY HA2 H 68 4.155 3.844 0.311 1 1 738 . 8 1 1 A 68 68 GLY HA3 H 68 3.585 3.876 -0.291 1 1 739 . 8 1 1 A 68 68 GLY C C 68 173.920 173.860 0.060 1 1 740 . 8 1 1 A 68 68 GLY CA C 68 45.267 46.089 -0.822 1 1 741 . 8 1 1 A 68 68 GLY N N 68 104.067 103.718 0.349 1 1 742 . 8 1 1 A 69 69 GLU H H 69 7.815 8.170 -0.355 1 1 743 . 8 1 1 A 69 69 GLU HA H 69 4.619 4.533 0.086 1 1 748 . 8 1 1 A 69 69 GLU C C 69 175.696 175.835 -0.139 1 1 749 . 8 1 1 A 69 69 GLU CA C 69 54.803 55.137 -0.334 1 1 750 . 8 1 1 A 69 69 GLU CB C 69 32.281 31.956 0.325 1 1 752 . 8 1 1 A 69 69 GLU N N 69 121.337 120.459 0.878 1 1 753 . 8 1 1 A 70 70 SER H H 70 8.867 8.793 0.074 1 1 754 . 8 1 1 A 70 70 SER HA H 70 4.411 4.531 -0.120 1 1 757 . 8 1 1 A 70 70 SER C C 70 176.409 174.549 1.860 1 1 758 . 8 1 1 A 70 70 SER CA C 70 58.034 60.075 -2.041 1 1 759 . 8 1 1 A 70 70 SER CB C 70 63.432 63.457 -0.025 1 1 760 . 8 1 1 A 70 70 SER N N 70 119.566 120.649 -1.083 1 1 761 . 8 1 1 A 71 71 THR H H 71 7.914 9.245 -1.331 1 1 762 . 8 1 1 A 71 71 THR HA H 71 4.162 4.403 -0.241 1 1 767 . 8 1 1 A 71 71 THR C C 71 175.433 175.617 -0.184 1 1 768 . 8 1 1 A 71 71 THR CA C 71 60.921 63.078 -2.157 1 1 769 . 8 1 1 A 71 71 THR CB C 71 68.671 68.938 -0.267 1 1 771 . 8 1 1 A 71 71 THR N N 71 114.514 121.809 -7.295 1 1 772 . 8 1 1 A 72 72 GLN H H 72 8.131 8.091 0.040 1 1 773 . 8 1 1 A 72 72 GLN HA H 72 4.020 4.033 -0.013 1 1 780 . 8 1 1 A 72 72 GLN C C 72 176.950 177.622 -0.672 1 1 781 . 8 1 1 A 72 72 GLN CA C 72 58.361 59.737 -1.376 1 1 782 . 8 1 1 A 72 72 GLN CB C 72 28.079 28.330 -0.251 1 1 784 . 8 1 1 A 72 72 GLN N N 72 124.809 121.736 3.073 1 1 786 . 8 1 1 A 73 73 GLY H H 73 9.025 7.944 1.081 1 1 787 . 8 1 1 A 73 73 GLY HA2 H 73 4.092 4.035 0.057 1 1 788 . 8 1 1 A 73 73 GLY HA3 H 73 3.754 4.038 -0.284 1 1 789 . 8 1 1 A 73 73 GLY C C 73 173.971 173.027 0.944 1 1 790 . 8 1 1 A 73 73 GLY CA C 73 45.373 45.486 -0.113 1 1 791 . 8 1 1 A 73 73 GLY N N 73 114.015 105.981 8.034 1 1 792 . 8 1 1 A 74 74 LEU H H 74 7.672 7.512 0.160 1 1 793 . 8 1 1 A 74 74 LEU HA H 74 4.768 4.814 -0.046 1 1 803 . 8 1 1 A 74 74 LEU C C 74 179.964 177.152 2.812 1 1 804 . 8 1 1 A 74 74 LEU CA C 74 54.682 53.391 1.291 1 1 805 . 8 1 1 A 74 74 LEU CB C 74 42.355 44.478 -2.123 1 1 809 . 8 1 1 A 74 74 LEU N N 74 118.933 120.534 -1.601 1 1 810 . 8 1 1 A 75 75 THR H H 75 8.911 8.831 0.080 1 1 811 . 8 1 1 A 75 75 THR HA H 75 4.799 4.688 0.111 1 1 816 . 8 1 1 A 75 75 THR C C 75 174.971 175.300 -0.329 1 1 817 . 8 1 1 A 75 75 THR CA C 75 60.571 60.663 -0.092 1 1 818 . 8 1 1 A 75 75 THR CB C 75 71.058 71.409 -0.351 1 1 820 . 8 1 1 A 75 75 THR N N 75 113.687 116.213 -2.526 1 1 821 . 8 1 1 A 76 76 HIS H H 76 9.474 9.163 0.311 1 1 822 . 8 1 1 A 76 76 HIS HA H 76 3.997 4.061 -0.064 1 1 826 . 8 1 1 A 76 76 HIS C C 76 176.917 176.834 0.083 1 1 827 . 8 1 1 A 76 76 HIS CA C 76 61.208 61.387 -0.179 1 1 828 . 8 1 1 A 76 76 HIS CB C 76 29.729 30.508 -0.779 1 1 830 . 8 1 1 A 76 76 HIS N N 76 122.022 121.775 0.247 1 1 831 . 8 1 1 A 77 77 ALA H H 77 8.457 8.342 0.115 1 1 832 . 8 1 1 A 77 77 ALA HA H 77 3.946 3.870 0.076 1 1 836 . 8 1 1 A 77 77 ALA C C 77 181.502 179.617 1.885 1 1 837 . 8 1 1 A 77 77 ALA CA C 77 55.282 54.989 0.293 1 1 838 . 8 1 1 A 77 77 ALA CB C 77 18.162 18.301 -0.139 1 1 839 . 8 1 1 A 77 77 ALA N N 77 119.389 120.779 -1.390 1 1 840 . 8 1 1 A 78 78 GLN H H 78 7.991 7.763 0.228 1 1 841 . 8 1 1 A 78 78 GLN HA H 78 4.029 4.056 -0.027 1 1 848 . 8 1 1 A 78 78 GLN C C 78 179.215 178.347 0.868 1 1 849 . 8 1 1 A 78 78 GLN CA C 78 58.562 58.331 0.231 1 1 850 . 8 1 1 A 78 78 GLN CB C 78 29.592 28.366 1.226 1 1 852 . 8 1 1 A 78 78 GLN N N 78 117.510 117.898 -0.388 1 1 854 . 8 1 1 A 79 79 ALA H H 79 8.367 8.178 0.189 1 1 855 . 8 1 1 A 79 79 ALA HA H 79 3.775 4.037 -0.262 1 1 859 . 8 1 1 A 79 79 ALA C C 79 178.754 180.270 -1.516 1 1 860 . 8 1 1 A 79 79 ALA CA C 79 55.828 55.008 0.820 1 1 861 . 8 1 1 A 79 79 ALA CB C 79 18.733 18.527 0.206 1 1 862 . 8 1 1 A 79 79 ALA N N 79 123.463 122.803 0.660 1 1 863 . 8 1 1 A 80 80 VAL H H 80 8.228 7.702 0.526 1 1 864 . 8 1 1 A 80 80 VAL HA H 80 3.510 3.518 -0.008 1 1 872 . 8 1 1 A 80 80 VAL C C 80 179.087 177.813 1.274 1 1 873 . 8 1 1 A 80 80 VAL CA C 80 66.912 66.351 0.561 1 1 874 . 8 1 1 A 80 80 VAL CB C 80 31.781 31.545 0.236 1 1 877 . 8 1 1 A 80 80 VAL N N 80 116.720 117.800 -1.080 1 1 878 . 8 1 1 A 81 81 GLU H H 81 7.834 8.468 -0.634 1 1 879 . 8 1 1 A 81 81 GLU HA H 81 4.195 4.050 0.145 1 1 884 . 8 1 1 A 81 81 GLU C C 81 178.847 178.382 0.465 1 1 885 . 8 1 1 A 81 81 GLU CA C 81 59.100 59.144 -0.044 1 1 886 . 8 1 1 A 81 81 GLU CB C 81 28.818 28.953 -0.135 1 1 888 . 8 1 1 A 81 81 GLU N N 81 121.198 119.934 1.264 1 1 889 . 8 1 1 A 82 82 ARG H H 82 8.004 7.368 0.636 1 1 890 . 8 1 1 A 82 82 ARG HA H 82 4.021 4.057 -0.036 1 1 897 . 8 1 1 A 82 82 ARG C C 82 179.863 178.398 1.465 1 1 898 . 8 1 1 A 82 82 ARG CA C 82 58.487 59.178 -0.691 1 1 899 . 8 1 1 A 82 82 ARG CB C 82 29.026 30.201 -1.175 1 1 902 . 8 1 1 A 82 82 ARG N N 82 119.267 119.235 0.032 1 1 903 . 8 1 1 A 83 83 ILE H H 83 7.875 8.296 -0.421 1 1 904 . 8 1 1 A 83 83 ILE HA H 83 3.467 3.687 -0.220 1 1 914 . 8 1 1 A 83 83 ILE C C 83 179.211 178.557 0.654 1 1 915 . 8 1 1 A 83 83 ILE CA C 83 65.491 65.440 0.051 1 1 916 . 8 1 1 A 83 83 ILE CB C 83 38.055 37.694 0.361 1 1 920 . 8 1 1 A 83 83 ILE N N 83 120.039 120.605 -0.566 1 1 921 . 8 1 1 A 84 84 ARG H H 84 8.207 7.750 0.457 1 1 922 . 8 1 1 A 84 84 ARG HA H 84 4.125 4.192 -0.067 1 1 929 . 8 1 1 A 84 84 ARG C C 84 179.062 178.970 0.092 1 1 930 . 8 1 1 A 84 84 ARG CA C 84 59.643 59.450 0.193 1 1 931 . 8 1 1 A 84 84 ARG CB C 84 30.197 30.382 -0.185 1 1 934 . 8 1 1 A 84 84 ARG N N 84 121.315 121.207 0.108 1 1 935 . 8 1 1 A 85 85 ALA H H 85 8.366 8.165 0.201 1 1 936 . 8 1 1 A 85 85 ALA HA H 85 4.241 4.155 0.086 1 1 940 . 8 1 1 A 85 85 ALA C C 85 179.042 179.575 -0.533 1 1 941 . 8 1 1 A 85 85 ALA CA C 85 53.695 54.509 -0.814 1 1 942 . 8 1 1 A 85 85 ALA CB C 85 18.806 18.635 0.171 1 1 943 . 8 1 1 A 85 85 ALA N N 85 120.166 122.412 -2.246 1 1 944 . 8 1 1 A 86 86 GLY H H 86 7.470 8.550 -1.080 1 1 945 . 8 1 1 A 86 86 GLY HA2 H 86 4.134 3.935 0.199 1 1 946 . 8 1 1 A 86 86 GLY HA3 H 86 4.134 3.947 0.187 1 1 947 . 8 1 1 A 86 86 GLY C C 86 174.699 174.618 0.081 1 1 948 . 8 1 1 A 86 86 GLY CA C 86 45.902 46.771 -0.869 1 1 949 . 8 1 1 A 86 86 GLY N N 86 104.067 106.413 -2.346 1 1 950 . 8 1 1 A 87 87 GLY H H 87 7.688 7.485 0.203 1 1 951 . 8 1 1 A 87 87 GLY HA2 H 87 4.528 4.077 0.451 1 1 952 . 8 1 1 A 87 87 GLY HA3 H 87 3.835 4.079 -0.244 1 1 953 . 8 1 1 A 87 87 GLY C C 87 173.611 173.978 -0.367 1 1 954 . 8 1 1 A 87 87 GLY CA C 87 44.677 44.503 0.174 1 1 955 . 8 1 1 A 87 87 GLY N N 87 107.458 105.945 1.513 1 1 956 . 8 1 1 A 88 88 PRO HA H 88 4.306 4.489 -0.183 1 1 963 . 8 1 1 A 88 88 PRO C C 88 175.247 176.534 -1.287 1 1 964 . 8 1 1 A 88 88 PRO CA C 88 64.596 64.205 0.391 1 1 965 . 8 1 1 A 88 88 PRO CB C 88 32.405 32.200 0.205 1 1 968 . 8 1 1 A 89 89 GLN H H 89 7.606 8.128 -0.522 1 1 969 . 8 1 1 A 89 89 GLN HA H 89 5.343 4.971 0.372 1 1 976 . 8 1 1 A 89 89 GLN C C 89 173.750 174.553 -0.803 1 1 977 . 8 1 1 A 89 89 GLN CA C 89 54.626 55.055 -0.429 1 1 978 . 8 1 1 A 89 89 GLN CB C 89 31.870 30.573 1.297 1 1 980 . 8 1 1 A 89 89 GLN N N 89 116.964 118.579 -1.615 1 1 982 . 8 1 1 A 90 90 LEU H H 90 8.610 8.563 0.047 1 1 983 . 8 1 1 A 90 90 LEU HA H 90 4.757 4.765 -0.008 1 1 993 . 8 1 1 A 90 90 LEU C C 90 173.607 175.378 -1.771 1 1 994 . 8 1 1 A 90 90 LEU CA C 90 53.730 53.748 -0.018 1 1 995 . 8 1 1 A 90 90 LEU CB C 90 45.549 43.997 1.552 1 1 999 . 8 1 1 A 90 90 LEU N N 90 124.460 127.240 -2.780 1 1 1000 . 8 1 1 A 91 91 HIS H H 91 8.826 8.914 -0.088 1 1 1001 . 8 1 1 A 91 91 HIS HA H 91 5.207 5.551 -0.344 1 1 1006 . 8 1 1 A 91 91 HIS C C 91 174.745 173.043 1.702 1 1 1007 . 8 1 1 A 91 91 HIS CA C 91 55.093 53.939 1.154 1 1 1008 . 8 1 1 A 91 91 HIS CB C 91 32.686 33.194 -0.508 1 1 1011 . 8 1 1 A 91 91 HIS N N 91 126.871 126.370 0.501 1 1 1012 . 8 1 1 A 92 92 LEU H H 92 9.024 8.778 0.246 1 1 1013 . 8 1 1 A 92 92 LEU HA H 92 5.203 4.877 0.326 1 1 1023 . 8 1 1 A 92 92 LEU C C 92 175.889 175.323 0.566 1 1 1024 . 8 1 1 A 92 92 LEU CA C 92 52.955 53.215 -0.260 1 1 1025 . 8 1 1 A 92 92 LEU CB C 92 46.233 45.847 0.386 1 1 1029 . 8 1 1 A 92 92 LEU N N 92 125.837 128.324 -2.487 1 1 1030 . 8 1 1 A 93 93 VAL H H 93 7.739 9.042 -1.303 1 1 1031 . 8 1 1 A 93 93 VAL HA H 93 4.568 4.689 -0.121 1 1 1039 . 8 1 1 A 93 93 VAL C C 93 174.538 174.914 -0.376 1 1 1040 . 8 1 1 A 93 93 VAL CA C 93 62.666 61.627 1.039 1 1 1041 . 8 1 1 A 93 93 VAL CB C 93 32.838 32.403 0.435 1 1 1044 . 8 1 1 A 93 93 VAL N N 93 120.566 124.399 -3.833 1 1 1045 . 8 1 1 A 94 94 ILE H H 94 8.965 8.577 0.388 1 1 1046 . 8 1 1 A 94 94 ILE HA H 94 5.152 4.814 0.338 1 1 1056 . 8 1 1 A 94 94 ILE C C 94 174.723 174.503 0.220 1 1 1057 . 8 1 1 A 94 94 ILE CA C 94 56.360 58.936 -2.576 1 1 1058 . 8 1 1 A 94 94 ILE CB C 94 39.214 40.681 -1.467 1 1 1062 . 8 1 1 A 94 94 ILE N N 94 128.952 126.925 2.027 1 1 1063 . 8 1 1 A 95 95 ARG H H 95 8.286 8.381 -0.095 1 1 1064 . 8 1 1 A 95 95 ARG HA H 95 4.715 4.868 -0.153 1 1 1071 . 8 1 1 A 95 95 ARG C C 95 173.665 175.121 -1.456 1 1 1072 . 8 1 1 A 95 95 ARG CA C 95 54.982 54.807 0.175 1 1 1073 . 8 1 1 A 95 95 ARG CB C 95 34.833 33.350 1.483 1 1 1076 . 8 1 1 A 95 95 ARG N N 95 120.920 126.166 -5.246 1 1 1077 . 8 1 1 A 96 96 ARG H H 96 9.238 8.986 0.252 1 1 1078 . 8 1 1 A 96 96 ARG HA H 96 4.984 4.353 0.631 1 1 1086 . 8 1 1 A 96 96 ARG C C 96 174.582 174.857 -0.275 1 1 1087 . 8 1 1 A 96 96 ARG CA C 96 53.219 54.516 -1.297 1 1 1088 . 8 1 1 A 96 96 ARG CB C 96 31.369 31.263 0.106 1 1 1091 . 8 1 1 A 96 96 ARG N N 96 129.955 128.741 1.214 1 1 1093 . 8 1 1 A 97 97 PRO HA H 97 4.424 4.580 -0.156 1 1 1100 . 8 1 1 A 97 97 PRO C C 97 176.289 176.259 0.030 1 1 1101 . 8 1 1 A 97 97 PRO CA C 97 63.322 62.145 1.177 1 1 1102 . 8 1 1 A 97 97 PRO CB C 97 32.240 32.979 -0.739 1 1 1105 . 8 1 1 A 98 98 LEU H H 98 8.325 8.450 -0.125 1 1 1106 . 8 1 1 A 98 98 LEU HA H 98 4.399 4.648 -0.249 1 1 1116 . 8 1 1 A 98 98 LEU C C 98 177.395 176.212 1.183 1 1 1117 . 8 1 1 A 98 98 LEU CA C 98 55.165 53.986 1.179 1 1 1118 . 8 1 1 A 98 98 LEU CB C 98 42.419 42.571 -0.152 1 1 1122 . 8 1 1 A 98 98 LEU N N 98 122.396 122.406 -0.010 1 1 1123 . 8 1 1 A 99 99 SER H H 99 8.333 8.885 -0.552 1 1 1124 . 8 1 1 A 99 99 SER HA H 99 4.483 5.294 -0.811 1 1 1127 . 8 1 1 A 99 99 SER C C 99 174.489 173.002 1.487 1 1 1128 . 8 1 1 A 99 99 SER CA C 99 58.138 56.216 1.922 1 1 1129 . 8 1 1 A 99 99 SER CB C 99 63.846 66.542 -2.696 1 1 1130 . 8 1 1 A 99 99 SER N N 99 116.892 114.817 2.075 1 1 1131 . 8 1 1 A 100 100 GLY H H 100 8.253 8.234 0.019 1 1 1132 . 8 1 1 A 100 100 GLY HA2 H 100 4.177 4.192 -0.015 1 1 1133 . 8 1 1 A 100 100 GLY HA3 H 100 4.101 4.192 -0.091 1 1 1134 . 8 1 1 A 100 100 GLY C C 100 171.838 174.364 -2.526 1 1 1135 . 8 1 1 A 100 100 GLY CA C 100 44.679 45.928 -1.249 1 1 1136 . 8 1 1 A 100 100 GLY N N 100 110.703 111.153 -0.450 1 1 1137 . 8 1 1 A 101 101 PRO HA H 101 4.480 4.494 -0.014 1 1 1144 . 8 1 1 A 101 101 PRO C C 101 177.411 176.260 1.151 1 1 1145 . 8 1 1 A 101 101 PRO CA C 101 63.312 64.270 -0.958 1 1 1146 . 8 1 1 A 101 101 PRO CB C 101 32.158 31.855 0.303 1 1 1149 . 8 1 1 A 102 102 SER H H 102 8.517 7.659 0.858 1 1 1150 . 8 1 1 A 102 102 SER C C 102 174.655 174.128 0.527 1 1 1151 . 8 1 1 A 102 102 SER CA C 102 58.438 58.453 -0.015 1 1 1152 . 8 1 1 A 102 102 SER CB C 102 63.970 63.967 0.003 1 1 1 . 9 1 1 A 2 2 SER HA H 2 4.493 5.179 -0.686 1 1 4 . 9 1 1 A 2 2 SER C C 2 174.671 172.860 1.811 1 1 5 . 9 1 1 A 2 2 SER CA C 2 58.438 57.608 0.830 1 1 6 . 9 1 1 A 2 2 SER CB C 2 63.558 65.459 -1.901 1 1 7 . 9 1 1 A 3 3 SER H H 3 8.324 8.702 -0.378 1 1 8 . 9 1 1 A 3 3 SER HA H 3 4.493 5.218 -0.725 1 1 11 . 9 1 1 A 3 3 SER C C 3 173.918 173.502 0.416 1 1 12 . 9 1 1 A 3 3 SER CA C 3 58.455 57.229 1.226 1 1 13 . 9 1 1 A 3 3 SER CB C 3 63.929 66.057 -2.128 1 1 14 . 9 1 1 A 3 3 SER N N 3 117.862 119.689 -1.827 1 1 15 . 9 1 1 A 4 4 GLY H H 4 8.045 8.479 -0.434 1 1 16 . 9 1 1 A 4 4 GLY C C 4 179.001 173.958 5.043 1 1 17 . 9 1 1 A 4 4 GLY CA C 4 46.201 46.130 0.071 1 1 18 . 9 1 1 A 4 4 GLY N N 4 116.862 110.755 6.107 1 1 19 . 9 1 1 A 6 6 SER HA H 6 4.461 5.132 -0.671 1 1 22 . 9 1 1 A 6 6 SER C C 6 175.170 173.869 1.301 1 1 23 . 9 1 1 A 6 6 SER CA C 6 58.755 56.211 2.544 1 1 24 . 9 1 1 A 6 6 SER CB C 6 63.862 66.034 -2.172 1 1 25 . 9 1 1 A 7 7 GLY H H 7 8.432 8.580 -0.148 1 1 26 . 9 1 1 A 7 7 GLY HA2 H 7 3.966 4.166 -0.200 1 1 27 . 9 1 1 A 7 7 GLY C C 7 174.309 173.825 0.484 1 1 28 . 9 1 1 A 7 7 GLY CA C 7 45.408 45.284 0.124 1 1 29 . 9 1 1 A 7 7 GLY N N 7 110.678 110.111 0.567 1 1 30 . 9 1 1 A 8 8 GLN H H 8 8.210 8.397 -0.187 1 1 31 . 9 1 1 A 8 8 GLN HA H 8 4.324 4.487 -0.163 1 1 38 . 9 1 1 A 8 8 GLN C C 8 176.037 174.245 1.792 1 1 39 . 9 1 1 A 8 8 GLN CA C 8 55.970 55.056 0.914 1 1 40 . 9 1 1 A 8 8 GLN CB C 8 29.562 27.898 1.664 1 1 42 . 9 1 1 A 8 8 GLN N N 8 119.977 122.813 -2.836 1 1 44 . 9 1 1 A 9 9 ALA H H 9 8.394 8.010 0.384 1 1 45 . 9 1 1 A 9 9 ALA HA H 9 4.319 5.284 -0.965 1 1 49 . 9 1 1 A 9 9 ALA C C 9 177.635 175.249 2.386 1 1 50 . 9 1 1 A 9 9 ALA CA C 9 52.531 50.232 2.299 1 1 51 . 9 1 1 A 9 9 ALA CB C 9 19.136 23.562 -4.426 1 1 52 . 9 1 1 A 9 9 ALA N N 9 125.301 128.778 -3.477 1 1 53 . 9 1 1 A 10 10 SER H H 10 8.259 8.578 -0.319 1 1 54 . 9 1 1 A 10 10 SER HA H 10 4.440 5.062 -0.622 1 1 57 . 9 1 1 A 10 10 SER C C 10 175.138 174.825 0.313 1 1 58 . 9 1 1 A 10 10 SER CA C 10 58.649 56.908 1.741 1 1 59 . 9 1 1 A 10 10 SER CB C 10 63.888 66.771 -2.883 1 1 60 . 9 1 1 A 10 10 SER N N 10 114.874 114.360 0.514 1 1 61 . 9 1 1 A 11 11 GLY H H 11 8.493 8.278 0.215 1 1 62 . 9 1 1 A 11 11 GLY HA2 H 11 4.039 4.001 0.038 1 1 63 . 9 1 1 A 11 11 GLY HA3 H 11 4.039 4.024 0.015 1 1 64 . 9 1 1 A 11 11 GLY C C 11 173.678 174.142 -0.464 1 1 65 . 9 1 1 A 11 11 GLY CA C 11 45.531 45.614 -0.083 1 1 66 . 9 1 1 A 11 11 GLY N N 11 110.301 112.320 -2.019 1 1 67 . 9 1 1 A 12 12 HIS H H 12 7.970 7.425 0.545 1 1 68 . 9 1 1 A 12 12 HIS HA H 12 5.442 4.479 0.963 1 1 73 . 9 1 1 A 12 12 HIS C C 12 175.304 174.460 0.844 1 1 74 . 9 1 1 A 12 12 HIS CA C 12 55.095 55.799 -0.704 1 1 75 . 9 1 1 A 12 12 HIS CB C 12 31.849 31.378 0.471 1 1 78 . 9 1 1 A 12 12 HIS N N 12 119.432 118.067 1.365 1 1 79 . 9 1 1 A 13 13 PHE H H 13 8.940 8.394 0.546 1 1 80 . 9 1 1 A 13 13 PHE HA H 13 5.072 5.558 -0.486 1 1 88 . 9 1 1 A 13 13 PHE C C 13 172.688 173.529 -0.841 1 1 89 . 9 1 1 A 13 13 PHE CA C 13 56.269 55.364 0.905 1 1 90 . 9 1 1 A 13 13 PHE CB C 13 40.835 42.279 -1.444 1 1 96 . 9 1 1 A 13 13 PHE N N 13 118.413 116.748 1.665 1 1 97 . 9 1 1 A 14 14 SER H H 14 8.709 8.837 -0.128 1 1 98 . 9 1 1 A 14 14 SER HA H 14 5.580 4.918 0.662 1 1 101 . 9 1 1 A 14 14 SER C C 14 174.119 174.307 -0.188 1 1 102 . 9 1 1 A 14 14 SER CA C 14 56.974 57.342 -0.368 1 1 103 . 9 1 1 A 14 14 SER CB C 14 65.778 65.128 0.650 1 1 104 . 9 1 1 A 14 14 SER N N 14 115.082 114.659 0.423 1 1 105 . 9 1 1 A 15 15 VAL H H 15 8.801 8.316 0.485 1 1 106 . 9 1 1 A 15 15 VAL HA H 15 4.373 4.761 -0.388 1 1 114 . 9 1 1 A 15 15 VAL C C 15 173.002 174.728 -1.726 1 1 115 . 9 1 1 A 15 15 VAL CA C 15 61.312 61.266 0.046 1 1 116 . 9 1 1 A 15 15 VAL CB C 15 36.461 34.693 1.768 1 1 119 . 9 1 1 A 15 15 VAL N N 15 121.148 121.218 -0.070 1 1 120 . 9 1 1 A 16 16 GLU H H 16 8.383 8.817 -0.434 1 1 121 . 9 1 1 A 16 16 GLU HA H 16 5.299 5.228 0.071 1 1 126 . 9 1 1 A 16 16 GLU C C 16 175.408 175.658 -0.250 1 1 127 . 9 1 1 A 16 16 GLU CA C 16 54.594 55.506 -0.912 1 1 128 . 9 1 1 A 16 16 GLU CB C 16 31.993 31.131 0.862 1 1 130 . 9 1 1 A 16 16 GLU N N 16 125.925 127.238 -1.313 1 1 131 . 9 1 1 A 17 17 LEU H H 17 9.172 8.580 0.592 1 1 132 . 9 1 1 A 17 17 LEU HA H 17 5.000 5.179 -0.179 1 1 142 . 9 1 1 A 17 17 LEU C C 17 175.596 175.774 -0.178 1 1 143 . 9 1 1 A 17 17 LEU CA C 17 52.919 53.544 -0.625 1 1 144 . 9 1 1 A 17 17 LEU CB C 17 47.317 46.139 1.178 1 1 148 . 9 1 1 A 17 17 LEU N N 17 122.761 126.258 -3.497 1 1 149 . 9 1 1 A 18 18 VAL H H 18 8.546 8.932 -0.386 1 1 150 . 9 1 1 A 18 18 VAL HA H 18 4.831 4.661 0.170 1 1 158 . 9 1 1 A 18 18 VAL C C 18 175.783 175.932 -0.149 1 1 159 . 9 1 1 A 18 18 VAL CA C 18 61.277 61.316 -0.039 1 1 160 . 9 1 1 A 18 18 VAL CB C 18 33.600 32.856 0.744 1 1 163 . 9 1 1 A 18 18 VAL N N 18 122.523 123.507 -0.984 1 1 164 . 9 1 1 A 19 19 ARG H H 19 8.495 8.304 0.191 1 1 165 . 9 1 1 A 19 19 ARG HA H 19 2.868 2.652 0.216 1 1 172 . 9 1 1 A 19 19 ARG C C 19 176.248 175.862 0.386 1 1 173 . 9 1 1 A 19 19 ARG CA C 19 58.138 57.000 1.138 1 1 174 . 9 1 1 A 19 19 ARG CB C 19 30.839 30.494 0.345 1 1 177 . 9 1 1 A 19 19 ARG N N 19 127.015 128.091 -1.076 1 1 178 . 9 1 1 A 20 20 GLY H H 20 7.244 8.241 -0.997 1 1 179 . 9 1 1 A 20 20 GLY HA2 H 20 4.504 4.000 0.504 1 1 180 . 9 1 1 A 20 20 GLY HA3 H 20 3.750 4.007 -0.257 1 1 181 . 9 1 1 A 20 20 GLY C C 20 175.286 172.480 2.806 1 1 182 . 9 1 1 A 20 20 GLY CA C 20 44.131 44.173 -0.042 1 1 183 . 9 1 1 A 20 20 GLY N N 20 112.266 112.394 -0.128 1 1 184 . 9 1 1 A 21 21 TYR HA H 21 4.219 4.692 -0.473 1 1 191 . 9 1 1 A 21 21 TYR C C 21 176.309 175.139 1.170 1 1 192 . 9 1 1 A 21 21 TYR CA C 21 60.518 56.633 3.885 1 1 193 . 9 1 1 A 21 21 TYR CB C 21 37.826 38.009 -0.183 1 1 198 . 9 1 1 A 22 22 ALA H H 22 8.272 8.164 0.108 1 1 199 . 9 1 1 A 22 22 ALA HA H 22 4.404 3.877 0.527 1 1 203 . 9 1 1 A 22 22 ALA C C 22 177.312 176.278 1.034 1 1 204 . 9 1 1 A 22 22 ALA CA C 22 50.816 53.034 -2.218 1 1 205 . 9 1 1 A 22 22 ALA CB C 22 18.455 17.710 0.745 1 1 206 . 9 1 1 A 22 22 ALA N N 22 121.539 129.033 -7.494 1 1 207 . 9 1 1 A 23 23 GLY H H 23 7.495 7.981 -0.486 1 1 208 . 9 1 1 A 23 23 GLY HA2 H 23 4.541 4.117 0.424 1 1 209 . 9 1 1 A 23 23 GLY HA3 H 23 3.238 4.136 -0.898 1 1 210 . 9 1 1 A 23 23 GLY C C 23 175.043 174.268 0.775 1 1 211 . 9 1 1 A 23 23 GLY CA C 23 44.897 44.860 0.037 1 1 212 . 9 1 1 A 23 23 GLY N N 23 106.744 104.165 2.579 1 1 213 . 9 1 1 A 24 24 PHE H H 24 7.242 8.958 -1.716 1 1 214 . 9 1 1 A 24 24 PHE HA H 24 4.369 4.457 -0.088 1 1 222 . 9 1 1 A 24 24 PHE C C 24 175.902 176.167 -0.265 1 1 223 . 9 1 1 A 24 24 PHE CA C 24 60.347 58.122 2.225 1 1 224 . 9 1 1 A 24 24 PHE CB C 24 39.575 39.577 -0.002 1 1 230 . 9 1 1 A 25 25 GLY H H 25 8.820 8.224 0.596 1 1 231 . 9 1 1 A 25 25 GLY HA2 H 25 4.134 4.030 0.104 1 1 232 . 9 1 1 A 25 25 GLY HA3 H 25 3.913 4.033 -0.120 1 1 233 . 9 1 1 A 25 25 GLY C C 25 174.585 174.312 0.273 1 1 234 . 9 1 1 A 25 25 GLY CA C 25 47.030 46.532 0.498 1 1 235 . 9 1 1 A 25 25 GLY N N 25 107.899 109.662 -1.763 1 1 236 . 9 1 1 A 26 26 LEU H H 26 7.991 7.851 0.140 1 1 237 . 9 1 1 A 26 26 LEU HA H 26 4.990 4.884 0.106 1 1 247 . 9 1 1 A 26 26 LEU C C 26 174.135 175.065 -0.930 1 1 248 . 9 1 1 A 26 26 LEU CA C 26 53.906 53.683 0.223 1 1 249 . 9 1 1 A 26 26 LEU CB C 26 45.939 43.639 2.300 1 1 253 . 9 1 1 A 26 26 LEU N N 26 122.133 123.018 -0.885 1 1 254 . 9 1 1 A 27 27 THR H H 27 8.657 8.811 -0.154 1 1 255 . 9 1 1 A 27 27 THR HA H 27 4.662 5.161 -0.499 1 1 260 . 9 1 1 A 27 27 THR C C 27 174.074 173.154 0.920 1 1 261 . 9 1 1 A 27 27 THR CA C 27 61.382 61.279 0.103 1 1 262 . 9 1 1 A 27 27 THR CB C 27 70.010 71.627 -1.617 1 1 264 . 9 1 1 A 27 27 THR N N 27 121.262 123.671 -2.409 1 1 265 . 9 1 1 A 28 28 LEU H H 28 9.692 8.712 0.980 1 1 266 . 9 1 1 A 28 28 LEU HA H 28 5.297 4.967 0.330 1 1 276 . 9 1 1 A 28 28 LEU C C 28 175.414 175.277 0.137 1 1 277 . 9 1 1 A 28 28 LEU CA C 28 53.219 52.819 0.400 1 1 278 . 9 1 1 A 28 28 LEU CB C 28 45.049 44.658 0.391 1 1 282 . 9 1 1 A 28 28 LEU N N 28 128.374 125.284 3.090 1 1 283 . 9 1 1 A 29 29 GLY H H 29 8.818 9.002 -0.184 1 1 284 . 9 1 1 A 29 29 GLY HA2 H 29 4.089 3.978 0.111 1 1 285 . 9 1 1 A 29 29 GLY HA3 H 29 3.664 4.072 -0.408 1 1 286 . 9 1 1 A 29 29 GLY C C 29 171.700 174.113 -2.413 1 1 287 . 9 1 1 A 29 29 GLY CA C 29 44.086 44.949 -0.863 1 1 288 . 9 1 1 A 29 29 GLY N N 29 106.574 112.319 -5.745 1 1 289 . 9 1 1 A 30 30 GLY H H 30 8.339 8.279 0.060 1 1 290 . 9 1 1 A 30 30 GLY HA2 H 30 4.434 4.163 0.271 1 1 291 . 9 1 1 A 30 30 GLY HA3 H 30 3.554 4.177 -0.623 1 1 292 . 9 1 1 A 30 30 GLY C C 30 174.290 173.354 0.936 1 1 293 . 9 1 1 A 30 30 GLY CA C 30 44.879 45.279 -0.400 1 1 294 . 9 1 1 A 30 30 GLY N N 30 107.245 111.504 -4.259 1 1 295 . 9 1 1 A 31 31 GLY H H 31 7.292 8.415 -1.123 1 1 296 . 9 1 1 A 31 31 GLY HA2 H 31 4.439 4.066 0.373 1 1 297 . 9 1 1 A 31 31 GLY HA3 H 31 4.000 4.092 -0.092 1 1 298 . 9 1 1 A 31 31 GLY C C 31 174.513 173.614 0.899 1 1 299 . 9 1 1 A 31 31 GLY CA C 31 43.589 44.808 -1.219 1 1 300 . 9 1 1 A 31 31 GLY N N 31 107.984 108.411 -0.427 1 1 301 . 9 1 1 A 32 32 ARG H H 32 8.065 8.310 -0.245 1 1 302 . 9 1 1 A 32 32 ARG HA H 32 4.380 4.350 0.030 1 1 309 . 9 1 1 A 32 32 ARG C C 32 176.139 175.735 0.404 1 1 310 . 9 1 1 A 32 32 ARG CA C 32 57.354 56.454 0.900 1 1 311 . 9 1 1 A 32 32 ARG CB C 32 30.080 30.877 -0.797 1 1 314 . 9 1 1 A 32 32 ARG N N 32 121.733 121.535 0.198 1 1 315 . 9 1 1 A 33 33 ASP H H 33 8.916 9.332 -0.416 1 1 316 . 9 1 1 A 33 33 ASP HA H 33 4.799 4.887 -0.088 1 1 319 . 9 1 1 A 33 33 ASP C C 33 176.381 177.221 -0.840 1 1 320 . 9 1 1 A 33 33 ASP CA C 33 53.783 52.954 0.829 1 1 321 . 9 1 1 A 33 33 ASP CB C 33 43.712 42.607 1.105 1 1 322 . 9 1 1 A 33 33 ASP N N 33 126.313 127.236 -0.923 1 1 323 . 9 1 1 A 34 34 VAL H H 34 8.372 8.778 -0.406 1 1 324 . 9 1 1 A 34 34 VAL HA H 34 3.943 3.690 0.253 1 1 329 . 9 1 1 A 34 34 VAL C C 34 176.591 177.115 -0.524 1 1 330 . 9 1 1 A 34 34 VAL CA C 34 64.644 65.767 -1.123 1 1 331 . 9 1 1 A 34 34 VAL CB C 34 31.796 31.827 -0.031 1 1 333 . 9 1 1 A 34 34 VAL N N 34 121.465 122.177 -0.712 1 1 334 . 9 1 1 A 35 35 ALA H H 35 8.577 7.809 0.768 1 1 335 . 9 1 1 A 35 35 ALA HA H 35 4.386 4.327 0.059 1 1 339 . 9 1 1 A 35 35 ALA C C 35 177.532 177.185 0.347 1 1 340 . 9 1 1 A 35 35 ALA CA C 35 52.589 52.761 -0.172 1 1 341 . 9 1 1 A 35 35 ALA CB C 35 19.095 19.884 -0.789 1 1 342 . 9 1 1 A 35 35 ALA N N 35 123.222 121.307 1.915 1 1 343 . 9 1 1 A 36 36 GLY H H 36 7.816 7.468 0.348 1 1 344 . 9 1 1 A 36 36 GLY HA2 H 36 4.274 4.002 0.272 1 1 345 . 9 1 1 A 36 36 GLY HA3 H 36 3.723 4.002 -0.279 1 1 346 . 9 1 1 A 36 36 GLY C C 36 172.610 171.573 1.037 1 1 347 . 9 1 1 A 36 36 GLY CA C 36 45.161 46.046 -0.885 1 1 348 . 9 1 1 A 36 36 GLY N N 36 107.925 103.122 4.803 1 1 349 . 9 1 1 A 37 37 ASP H H 37 8.604 8.678 -0.074 1 1 350 . 9 1 1 A 37 37 ASP HA H 37 4.810 5.495 -0.685 1 1 353 . 9 1 1 A 37 37 ASP C C 37 176.081 174.905 1.176 1 1 354 . 9 1 1 A 37 37 ASP CA C 37 54.700 52.682 2.018 1 1 355 . 9 1 1 A 37 37 ASP CB C 37 41.076 42.969 -1.893 1 1 356 . 9 1 1 A 37 37 ASP N N 37 124.969 118.319 6.650 1 1 357 . 9 1 1 A 38 38 THR H H 38 7.679 8.956 -1.277 1 1 358 . 9 1 1 A 38 38 THR HA H 38 4.704 5.019 -0.315 1 1 363 . 9 1 1 A 38 38 THR C C 38 172.712 171.929 0.783 1 1 364 . 9 1 1 A 38 38 THR CA C 38 59.810 58.198 1.612 1 1 365 . 9 1 1 A 38 38 THR CB C 38 70.420 70.345 0.075 1 1 367 . 9 1 1 A 38 38 THR N N 38 116.498 113.982 2.516 1 1 368 . 9 1 1 A 39 39 PRO HA H 39 4.305 4.643 -0.338 1 1 375 . 9 1 1 A 39 39 PRO C C 39 176.355 176.944 -0.589 1 1 376 . 9 1 1 A 39 39 PRO CA C 39 63.304 62.729 0.575 1 1 377 . 9 1 1 A 39 39 PRO CB C 39 32.703 31.662 1.041 1 1 380 . 9 1 1 A 40 40 LEU H H 40 8.247 8.154 0.093 1 1 381 . 9 1 1 A 40 40 LEU HA H 40 4.704 4.237 0.467 1 1 391 . 9 1 1 A 40 40 LEU C C 40 176.631 177.284 -0.653 1 1 392 . 9 1 1 A 40 40 LEU CA C 40 55.352 55.321 0.031 1 1 393 . 9 1 1 A 40 40 LEU CB C 40 42.524 42.489 0.035 1 1 397 . 9 1 1 A 40 40 LEU N N 40 125.558 124.046 1.512 1 1 398 . 9 1 1 A 41 41 ALA H H 41 8.856 8.747 0.109 1 1 399 . 9 1 1 A 41 41 ALA HA H 41 5.465 5.180 0.285 1 1 403 . 9 1 1 A 41 41 ALA C C 41 176.658 176.231 0.427 1 1 404 . 9 1 1 A 41 41 ALA CA C 41 50.503 51.503 -1.000 1 1 405 . 9 1 1 A 41 41 ALA CB C 41 24.074 22.819 1.255 1 1 406 . 9 1 1 A 41 41 ALA N N 41 128.426 125.580 2.846 1 1 407 . 9 1 1 A 42 42 VAL H H 42 9.160 9.148 0.012 1 1 408 . 9 1 1 A 42 42 VAL HA H 42 3.803 4.048 -0.245 1 1 416 . 9 1 1 A 42 42 VAL C C 42 176.499 175.782 0.717 1 1 417 . 9 1 1 A 42 42 VAL CA C 42 64.196 63.678 0.518 1 1 418 . 9 1 1 A 42 42 VAL CB C 42 31.773 31.562 0.211 1 1 421 . 9 1 1 A 42 42 VAL N N 42 119.342 123.051 -3.709 1 1 422 . 9 1 1 A 43 43 ARG H H 43 9.385 8.985 0.400 1 1 423 . 9 1 1 A 43 43 ARG HA H 43 4.527 4.260 0.267 1 1 430 . 9 1 1 A 43 43 ARG C C 43 175.332 176.056 -0.724 1 1 431 . 9 1 1 A 43 43 ARG CA C 43 55.340 57.769 -2.429 1 1 432 . 9 1 1 A 43 43 ARG CB C 43 32.242 31.441 0.801 1 1 435 . 9 1 1 A 43 43 ARG N N 43 131.043 129.078 1.965 1 1 436 . 9 1 1 A 44 44 GLY H H 44 7.872 7.792 0.080 1 1 437 . 9 1 1 A 44 44 GLY HA2 H 44 4.155 4.175 -0.020 1 1 438 . 9 1 1 A 44 44 GLY HA3 H 44 3.765 4.176 -0.411 1 1 439 . 9 1 1 A 44 44 GLY C C 44 170.284 171.801 -1.517 1 1 440 . 9 1 1 A 44 44 GLY CA C 44 45.602 43.960 1.642 1 1 441 . 9 1 1 A 44 44 GLY N N 44 107.517 107.587 -0.070 1 1 442 . 9 1 1 A 45 45 LEU H H 45 8.455 9.517 -1.062 1 1 443 . 9 1 1 A 45 45 LEU HA H 45 4.915 4.883 0.032 1 1 453 . 9 1 1 A 45 45 LEU C C 45 175.215 176.838 -1.623 1 1 454 . 9 1 1 A 45 45 LEU CA C 45 52.795 53.982 -1.187 1 1 455 . 9 1 1 A 45 45 LEU CB C 45 44.824 43.489 1.335 1 1 459 . 9 1 1 A 45 45 LEU N N 45 121.812 123.981 -2.169 1 1 460 . 9 1 1 A 46 46 LEU H H 46 7.582 8.828 -1.246 1 1 461 . 9 1 1 A 46 46 LEU HA H 46 4.208 4.266 -0.058 1 1 471 . 9 1 1 A 46 46 LEU C C 46 177.935 176.099 1.836 1 1 472 . 9 1 1 A 46 46 LEU CA C 46 54.984 55.865 -0.881 1 1 473 . 9 1 1 A 46 46 LEU CB C 46 42.815 43.353 -0.538 1 1 477 . 9 1 1 A 46 46 LEU N N 46 124.670 128.499 -3.829 1 1 478 . 9 1 1 A 47 47 LYS H H 47 8.959 8.704 0.255 1 1 479 . 9 1 1 A 47 47 LYS HA H 47 3.875 4.264 -0.389 1 1 488 . 9 1 1 A 47 47 LYS C C 47 176.699 176.855 -0.156 1 1 489 . 9 1 1 A 47 47 LYS CA C 47 58.861 56.857 2.004 1 1 490 . 9 1 1 A 47 47 LYS CB C 47 32.076 32.716 -0.640 1 1 494 . 9 1 1 A 47 47 LYS N N 47 129.726 126.510 3.216 1 1 495 . 9 1 1 A 48 48 ASP H H 48 8.845 9.428 -0.583 1 1 496 . 9 1 1 A 48 48 ASP HA H 48 4.395 4.305 0.090 1 1 499 . 9 1 1 A 48 48 ASP C C 48 175.442 175.360 0.082 1 1 500 . 9 1 1 A 48 48 ASP CA C 48 56.632 55.418 1.214 1 1 501 . 9 1 1 A 48 48 ASP CB C 48 39.740 40.249 -0.509 1 1 502 . 9 1 1 A 48 48 ASP N N 48 119.883 126.166 -6.283 1 1 503 . 9 1 1 A 49 49 GLY H H 49 7.947 8.047 -0.100 1 1 504 . 9 1 1 A 49 49 GLY HA2 H 49 4.578 4.085 0.493 1 1 505 . 9 1 1 A 49 49 GLY HA3 H 49 3.748 4.098 -0.350 1 1 506 . 9 1 1 A 49 49 GLY C C 49 172.008 174.681 -2.673 1 1 507 . 9 1 1 A 49 49 GLY CA C 49 45.000 43.971 1.029 1 1 508 . 9 1 1 A 49 49 GLY N N 49 106.565 108.621 -2.056 1 1 509 . 9 1 1 A 50 50 PRO HA H 50 4.268 4.370 -0.102 1 1 516 . 9 1 1 A 50 50 PRO C C 50 179.273 178.889 0.384 1 1 517 . 9 1 1 A 50 50 PRO CA C 50 65.791 65.137 0.654 1 1 518 . 9 1 1 A 50 50 PRO CB C 50 32.532 32.030 0.502 1 1 521 . 9 1 1 A 51 51 ALA H H 51 7.805 8.195 -0.390 1 1 522 . 9 1 1 A 51 51 ALA HA H 51 4.167 4.139 0.028 1 1 526 . 9 1 1 A 51 51 ALA C C 51 178.947 179.589 -0.642 1 1 527 . 9 1 1 A 51 51 ALA CA C 51 55.079 55.362 -0.283 1 1 528 . 9 1 1 A 51 51 ALA CB C 51 18.988 18.595 0.393 1 1 529 . 9 1 1 A 51 51 ALA N N 51 119.037 119.391 -0.354 1 1 530 . 9 1 1 A 52 52 GLN H H 52 9.614 8.182 1.432 1 1 531 . 9 1 1 A 52 52 GLN HA H 52 3.969 4.004 -0.035 1 1 538 . 9 1 1 A 52 52 GLN C C 52 178.509 178.631 -0.122 1 1 539 . 9 1 1 A 52 52 GLN CA C 52 59.529 59.389 0.140 1 1 540 . 9 1 1 A 52 52 GLN CB C 52 29.107 28.252 0.855 1 1 542 . 9 1 1 A 52 52 GLN N N 52 122.017 118.152 3.865 1 1 544 . 9 1 1 A 53 53 ARG H H 53 8.524 7.870 0.654 1 1 545 . 9 1 1 A 53 53 ARG HA H 53 3.996 4.103 -0.107 1 1 552 . 9 1 1 A 53 53 ARG C C 53 178.479 179.126 -0.647 1 1 553 . 9 1 1 A 53 53 ARG CA C 53 58.825 59.638 -0.813 1 1 554 . 9 1 1 A 53 53 ARG CB C 53 30.546 30.352 0.194 1 1 557 . 9 1 1 A 53 53 ARG N N 53 116.703 118.476 -1.773 1 1 558 . 9 1 1 A 54 54 CYS H H 54 7.589 7.747 -0.158 1 1 559 . 9 1 1 A 54 54 CYS HA H 54 4.641 4.317 0.324 1 1 562 . 9 1 1 A 54 54 CYS C C 54 175.840 175.283 0.557 1 1 563 . 9 1 1 A 54 54 CYS CA C 54 59.724 60.739 -1.015 1 1 564 . 9 1 1 A 54 54 CYS CB C 54 27.419 27.743 -0.324 1 1 565 . 9 1 1 A 54 54 CYS N N 54 113.424 118.135 -4.711 1 1 566 . 9 1 1 A 55 55 GLY H H 55 7.436 7.770 -0.334 1 1 567 . 9 1 1 A 55 55 GLY HA2 H 55 4.082 3.959 0.123 1 1 568 . 9 1 1 A 55 55 GLY HA3 H 55 4.082 3.967 0.115 1 1 569 . 9 1 1 A 55 55 GLY C C 55 174.435 175.814 -1.379 1 1 570 . 9 1 1 A 55 55 GLY CA C 55 46.977 45.358 1.619 1 1 571 . 9 1 1 A 55 55 GLY N N 55 109.572 108.577 0.995 1 1 572 . 9 1 1 A 56 56 ARG H H 56 7.860 8.259 -0.399 1 1 573 . 9 1 1 A 56 56 ARG HA H 56 4.472 4.039 0.433 1 1 580 . 9 1 1 A 56 56 ARG C C 56 174.959 176.096 -1.137 1 1 581 . 9 1 1 A 56 56 ARG CA C 56 55.687 58.689 -3.002 1 1 582 . 9 1 1 A 56 56 ARG CB C 56 32.785 30.291 2.494 1 1 585 . 9 1 1 A 56 56 ARG N N 56 118.137 119.395 -1.258 1 1 586 . 9 1 1 A 57 57 LEU H H 57 8.219 7.953 0.266 1 1 587 . 9 1 1 A 57 57 LEU HA H 57 4.926 4.878 0.048 1 1 597 . 9 1 1 A 57 57 LEU C C 57 175.333 175.645 -0.312 1 1 598 . 9 1 1 A 57 57 LEU CA C 57 53.043 53.313 -0.270 1 1 599 . 9 1 1 A 57 57 LEU CB C 57 46.459 43.737 2.722 1 1 603 . 9 1 1 A 57 57 LEU N N 57 117.496 120.583 -3.087 1 1 604 . 9 1 1 A 58 58 GLU H H 58 9.053 8.931 0.122 1 1 605 . 9 1 1 A 58 58 GLU HA H 58 4.460 4.920 -0.460 1 1 610 . 9 1 1 A 58 58 GLU C C 58 175.683 176.134 -0.451 1 1 611 . 9 1 1 A 58 58 GLU CA C 58 54.144 54.180 -0.036 1 1 612 . 9 1 1 A 58 58 GLU CB C 58 33.286 33.880 -0.594 1 1 614 . 9 1 1 A 58 58 GLU N N 58 121.883 122.168 -0.285 1 1 615 . 9 1 1 A 59 59 VAL H H 59 8.727 8.581 0.146 1 1 616 . 9 1 1 A 59 59 VAL HA H 59 3.213 3.640 -0.427 1 1 624 . 9 1 1 A 59 59 VAL C C 59 177.728 176.939 0.789 1 1 625 . 9 1 1 A 59 59 VAL CA C 59 65.823 65.239 0.584 1 1 626 . 9 1 1 A 59 59 VAL CB C 59 31.151 31.241 -0.090 1 1 629 . 9 1 1 A 59 59 VAL N N 59 121.698 122.489 -0.791 1 1 630 . 9 1 1 A 60 60 GLY H H 60 9.172 8.442 0.730 1 1 631 . 9 1 1 A 60 60 GLY HA2 H 60 4.500 3.985 0.515 1 1 632 . 9 1 1 A 60 60 GLY HA3 H 60 3.469 3.993 -0.524 1 1 633 . 9 1 1 A 60 60 GLY C C 60 173.646 174.151 -0.505 1 1 634 . 9 1 1 A 60 60 GLY CA C 60 44.148 45.015 -0.867 1 1 635 . 9 1 1 A 60 60 GLY N N 60 117.734 115.430 2.304 1 1 636 . 9 1 1 A 61 61 ASP H H 61 7.877 7.783 0.094 1 1 637 . 9 1 1 A 61 61 ASP HA H 61 4.551 4.716 -0.165 1 1 640 . 9 1 1 A 61 61 ASP C C 61 175.437 175.189 0.248 1 1 641 . 9 1 1 A 61 61 ASP CA C 61 56.057 54.110 1.947 1 1 642 . 9 1 1 A 61 61 ASP CB C 61 40.660 41.996 -1.336 1 1 643 . 9 1 1 A 61 61 ASP N N 61 121.399 121.431 -0.032 1 1 644 . 9 1 1 A 62 62 LEU H H 62 8.773 8.507 0.266 1 1 645 . 9 1 1 A 62 62 LEU HA H 62 4.713 5.097 -0.384 1 1 655 . 9 1 1 A 62 62 LEU C C 62 176.560 175.418 1.142 1 1 656 . 9 1 1 A 62 62 LEU CA C 62 54.259 53.621 0.638 1 1 657 . 9 1 1 A 62 62 LEU CB C 62 42.022 43.696 -1.674 1 1 661 . 9 1 1 A 62 62 LEU N N 62 120.566 121.325 -0.759 1 1 662 . 9 1 1 A 63 63 VAL H H 63 8.121 8.831 -0.710 1 1 663 . 9 1 1 A 63 63 VAL HA H 63 4.113 3.990 0.123 1 1 671 . 9 1 1 A 63 63 VAL C C 63 175.468 175.391 0.077 1 1 672 . 9 1 1 A 63 63 VAL CA C 63 61.763 62.758 -0.995 1 1 673 . 9 1 1 A 63 63 VAL CB C 63 31.413 31.938 -0.525 1 1 676 . 9 1 1 A 63 63 VAL N N 63 121.172 124.709 -3.537 1 1 677 . 9 1 1 A 64 64 LEU H H 64 9.077 8.687 0.390 1 1 678 . 9 1 1 A 64 64 LEU HA H 64 4.113 4.211 -0.098 1 1 688 . 9 1 1 A 64 64 LEU C C 64 177.611 176.218 1.393 1 1 689 . 9 1 1 A 64 64 LEU CA C 64 56.614 55.373 1.241 1 1 690 . 9 1 1 A 64 64 LEU CB C 64 42.994 42.810 0.184 1 1 694 . 9 1 1 A 64 64 LEU N N 64 130.175 127.087 3.088 1 1 695 . 9 1 1 A 65 65 HIS H H 65 7.510 7.579 -0.069 1 1 696 . 9 1 1 A 65 65 HIS HA H 65 5.297 5.148 0.149 1 1 701 . 9 1 1 A 65 65 HIS C C 65 174.833 173.696 1.137 1 1 702 . 9 1 1 A 65 65 HIS CA C 65 55.715 54.460 1.255 1 1 703 . 9 1 1 A 65 65 HIS CB C 65 35.813 34.350 1.463 1 1 706 . 9 1 1 A 65 65 HIS N N 65 115.096 114.452 0.644 1 1 707 . 9 1 1 A 66 66 ILE H H 66 8.675 8.639 0.036 1 1 708 . 9 1 1 A 66 66 ILE HA H 66 4.320 4.401 -0.081 1 1 718 . 9 1 1 A 66 66 ILE C C 66 175.571 175.935 -0.364 1 1 719 . 9 1 1 A 66 66 ILE CA C 66 60.510 60.309 0.201 1 1 720 . 9 1 1 A 66 66 ILE CB C 66 41.360 40.609 0.751 1 1 724 . 9 1 1 A 66 66 ILE N N 66 119.474 119.878 -0.404 1 1 725 . 9 1 1 A 67 67 ASN H H 67 10.170 9.523 0.647 1 1 726 . 9 1 1 A 67 67 ASN HA H 67 4.595 4.598 -0.003 1 1 731 . 9 1 1 A 67 67 ASN C C 67 175.349 175.548 -0.199 1 1 732 . 9 1 1 A 67 67 ASN CA C 67 54.589 54.682 -0.093 1 1 733 . 9 1 1 A 67 67 ASN CB C 67 37.267 37.490 -0.223 1 1 734 . 9 1 1 A 67 67 ASN N N 67 129.216 127.677 1.539 1 1 736 . 9 1 1 A 68 68 GLY H H 68 9.396 8.772 0.624 1 1 737 . 9 1 1 A 68 68 GLY HA2 H 68 4.155 3.896 0.259 1 1 738 . 9 1 1 A 68 68 GLY HA3 H 68 3.585 3.899 -0.314 1 1 739 . 9 1 1 A 68 68 GLY C C 68 173.920 173.846 0.074 1 1 740 . 9 1 1 A 68 68 GLY CA C 68 45.267 46.188 -0.921 1 1 741 . 9 1 1 A 68 68 GLY N N 68 104.067 103.621 0.446 1 1 742 . 9 1 1 A 69 69 GLU H H 69 7.815 7.850 -0.035 1 1 743 . 9 1 1 A 69 69 GLU HA H 69 4.619 4.700 -0.081 1 1 748 . 9 1 1 A 69 69 GLU C C 69 175.696 175.266 0.430 1 1 749 . 9 1 1 A 69 69 GLU CA C 69 54.803 54.854 -0.051 1 1 750 . 9 1 1 A 69 69 GLU CB C 69 32.281 32.118 0.163 1 1 752 . 9 1 1 A 69 69 GLU N N 69 121.337 120.703 0.634 1 1 753 . 9 1 1 A 70 70 SER H H 70 8.867 9.059 -0.192 1 1 754 . 9 1 1 A 70 70 SER HA H 70 4.411 4.550 -0.139 1 1 757 . 9 1 1 A 70 70 SER C C 70 176.409 174.580 1.829 1 1 758 . 9 1 1 A 70 70 SER CA C 70 58.034 59.712 -1.678 1 1 759 . 9 1 1 A 70 70 SER CB C 70 63.432 63.086 0.346 1 1 760 . 9 1 1 A 70 70 SER N N 70 119.566 122.931 -3.365 1 1 761 . 9 1 1 A 71 71 THR H H 71 7.914 9.108 -1.194 1 1 762 . 9 1 1 A 71 71 THR HA H 71 4.162 4.403 -0.241 1 1 767 . 9 1 1 A 71 71 THR C C 71 175.433 175.164 0.269 1 1 768 . 9 1 1 A 71 71 THR CA C 71 60.921 63.448 -2.527 1 1 769 . 9 1 1 A 71 71 THR CB C 71 68.671 69.174 -0.503 1 1 771 . 9 1 1 A 71 71 THR N N 71 114.514 121.694 -7.180 1 1 772 . 9 1 1 A 72 72 GLN H H 72 8.131 8.075 0.056 1 1 773 . 9 1 1 A 72 72 GLN HA H 72 4.020 4.034 -0.014 1 1 780 . 9 1 1 A 72 72 GLN C C 72 176.950 177.352 -0.402 1 1 781 . 9 1 1 A 72 72 GLN CA C 72 58.361 59.551 -1.190 1 1 782 . 9 1 1 A 72 72 GLN CB C 72 28.079 28.723 -0.644 1 1 784 . 9 1 1 A 72 72 GLN N N 72 124.809 121.535 3.274 1 1 786 . 9 1 1 A 73 73 GLY H H 73 9.025 7.914 1.111 1 1 787 . 9 1 1 A 73 73 GLY HA2 H 73 4.092 4.081 0.011 1 1 788 . 9 1 1 A 73 73 GLY HA3 H 73 3.754 4.081 -0.327 1 1 789 . 9 1 1 A 73 73 GLY C C 73 173.971 173.186 0.785 1 1 790 . 9 1 1 A 73 73 GLY CA C 73 45.373 45.396 -0.023 1 1 791 . 9 1 1 A 73 73 GLY N N 73 114.015 106.181 7.834 1 1 792 . 9 1 1 A 74 74 LEU H H 74 7.672 7.663 0.009 1 1 793 . 9 1 1 A 74 74 LEU HA H 74 4.768 4.886 -0.118 1 1 803 . 9 1 1 A 74 74 LEU C C 74 179.964 175.408 4.556 1 1 804 . 9 1 1 A 74 74 LEU CA C 74 54.682 53.456 1.226 1 1 805 . 9 1 1 A 74 74 LEU CB C 74 42.355 44.839 -2.484 1 1 809 . 9 1 1 A 74 74 LEU N N 74 118.933 120.698 -1.765 1 1 810 . 9 1 1 A 75 75 THR H H 75 8.911 8.559 0.352 1 1 811 . 9 1 1 A 75 75 THR HA H 75 4.799 4.782 0.017 1 1 816 . 9 1 1 A 75 75 THR C C 75 174.971 175.106 -0.135 1 1 817 . 9 1 1 A 75 75 THR CA C 75 60.571 59.635 0.936 1 1 818 . 9 1 1 A 75 75 THR CB C 75 71.058 71.005 0.053 1 1 820 . 9 1 1 A 75 75 THR N N 75 113.687 116.291 -2.604 1 1 821 . 9 1 1 A 76 76 HIS H H 76 9.474 9.187 0.287 1 1 822 . 9 1 1 A 76 76 HIS HA H 76 3.997 4.096 -0.099 1 1 826 . 9 1 1 A 76 76 HIS C C 76 176.917 176.783 0.134 1 1 827 . 9 1 1 A 76 76 HIS CA C 76 61.208 60.338 0.870 1 1 828 . 9 1 1 A 76 76 HIS CB C 76 29.729 30.387 -0.658 1 1 830 . 9 1 1 A 76 76 HIS N N 76 122.022 125.455 -3.433 1 1 831 . 9 1 1 A 77 77 ALA H H 77 8.457 7.539 0.918 1 1 832 . 9 1 1 A 77 77 ALA HA H 77 3.946 3.738 0.208 1 1 836 . 9 1 1 A 77 77 ALA C C 77 181.502 179.999 1.503 1 1 837 . 9 1 1 A 77 77 ALA CA C 77 55.282 55.016 0.266 1 1 838 . 9 1 1 A 77 77 ALA CB C 77 18.162 18.134 0.028 1 1 839 . 9 1 1 A 77 77 ALA N N 77 119.389 120.776 -1.387 1 1 840 . 9 1 1 A 78 78 GLN H H 78 7.991 8.220 -0.229 1 1 841 . 9 1 1 A 78 78 GLN HA H 78 4.029 4.067 -0.038 1 1 848 . 9 1 1 A 78 78 GLN C C 78 179.215 178.463 0.752 1 1 849 . 9 1 1 A 78 78 GLN CA C 78 58.562 58.942 -0.380 1 1 850 . 9 1 1 A 78 78 GLN CB C 78 29.592 28.566 1.026 1 1 852 . 9 1 1 A 78 78 GLN N N 78 117.510 117.537 -0.027 1 1 854 . 9 1 1 A 79 79 ALA H H 79 8.367 8.438 -0.071 1 1 855 . 9 1 1 A 79 79 ALA HA H 79 3.775 4.129 -0.354 1 1 859 . 9 1 1 A 79 79 ALA C C 79 178.754 179.957 -1.203 1 1 860 . 9 1 1 A 79 79 ALA CA C 79 55.828 55.342 0.486 1 1 861 . 9 1 1 A 79 79 ALA CB C 79 18.733 18.487 0.246 1 1 862 . 9 1 1 A 79 79 ALA N N 79 123.463 122.452 1.011 1 1 863 . 9 1 1 A 80 80 VAL H H 80 8.228 7.966 0.262 1 1 864 . 9 1 1 A 80 80 VAL HA H 80 3.510 3.514 -0.004 1 1 872 . 9 1 1 A 80 80 VAL C C 80 179.087 177.853 1.234 1 1 873 . 9 1 1 A 80 80 VAL CA C 80 66.912 66.651 0.261 1 1 874 . 9 1 1 A 80 80 VAL CB C 80 31.781 31.494 0.287 1 1 877 . 9 1 1 A 80 80 VAL N N 80 116.720 118.231 -1.511 1 1 878 . 9 1 1 A 81 81 GLU H H 81 7.834 8.037 -0.203 1 1 879 . 9 1 1 A 81 81 GLU HA H 81 4.195 3.993 0.202 1 1 884 . 9 1 1 A 81 81 GLU C C 81 178.847 178.839 0.008 1 1 885 . 9 1 1 A 81 81 GLU CA C 81 59.100 59.789 -0.689 1 1 886 . 9 1 1 A 81 81 GLU CB C 81 28.818 29.247 -0.429 1 1 888 . 9 1 1 A 81 81 GLU N N 81 121.198 119.880 1.318 1 1 889 . 9 1 1 A 82 82 ARG H H 82 8.004 7.602 0.402 1 1 890 . 9 1 1 A 82 82 ARG HA H 82 4.021 4.082 -0.061 1 1 897 . 9 1 1 A 82 82 ARG C C 82 179.863 178.601 1.262 1 1 898 . 9 1 1 A 82 82 ARG CA C 82 58.487 59.286 -0.799 1 1 899 . 9 1 1 A 82 82 ARG CB C 82 29.026 30.160 -1.134 1 1 902 . 9 1 1 A 82 82 ARG N N 82 119.267 119.039 0.228 1 1 903 . 9 1 1 A 83 83 ILE H H 83 7.875 8.075 -0.200 1 1 904 . 9 1 1 A 83 83 ILE HA H 83 3.467 3.631 -0.164 1 1 914 . 9 1 1 A 83 83 ILE C C 83 179.211 178.270 0.941 1 1 915 . 9 1 1 A 83 83 ILE CA C 83 65.491 65.459 0.032 1 1 916 . 9 1 1 A 83 83 ILE CB C 83 38.055 37.786 0.269 1 1 920 . 9 1 1 A 83 83 ILE N N 83 120.039 120.705 -0.666 1 1 921 . 9 1 1 A 84 84 ARG H H 84 8.207 8.600 -0.393 1 1 922 . 9 1 1 A 84 84 ARG HA H 84 4.125 4.182 -0.057 1 1 929 . 9 1 1 A 84 84 ARG C C 84 179.062 179.371 -0.309 1 1 930 . 9 1 1 A 84 84 ARG CA C 84 59.643 59.688 -0.045 1 1 931 . 9 1 1 A 84 84 ARG CB C 84 30.197 30.198 -0.001 1 1 934 . 9 1 1 A 84 84 ARG N N 84 121.315 120.972 0.343 1 1 935 . 9 1 1 A 85 85 ALA H H 85 8.366 8.002 0.364 1 1 936 . 9 1 1 A 85 85 ALA HA H 85 4.241 4.053 0.188 1 1 940 . 9 1 1 A 85 85 ALA C C 85 179.042 179.852 -0.810 1 1 941 . 9 1 1 A 85 85 ALA CA C 85 53.695 54.841 -1.146 1 1 942 . 9 1 1 A 85 85 ALA CB C 85 18.806 18.600 0.206 1 1 943 . 9 1 1 A 85 85 ALA N N 85 120.166 122.235 -2.069 1 1 944 . 9 1 1 A 86 86 GLY H H 86 7.470 8.673 -1.203 1 1 945 . 9 1 1 A 86 86 GLY HA2 H 86 4.134 3.943 0.191 1 1 946 . 9 1 1 A 86 86 GLY HA3 H 86 4.134 3.947 0.187 1 1 947 . 9 1 1 A 86 86 GLY C C 86 174.699 174.672 0.027 1 1 948 . 9 1 1 A 86 86 GLY CA C 86 45.902 47.044 -1.142 1 1 949 . 9 1 1 A 86 86 GLY N N 86 104.067 106.389 -2.322 1 1 950 . 9 1 1 A 87 87 GLY H H 87 7.688 7.478 0.210 1 1 951 . 9 1 1 A 87 87 GLY HA2 H 87 4.528 4.099 0.429 1 1 952 . 9 1 1 A 87 87 GLY HA3 H 87 3.835 4.101 -0.266 1 1 953 . 9 1 1 A 87 87 GLY C C 87 173.611 174.027 -0.416 1 1 954 . 9 1 1 A 87 87 GLY CA C 87 44.677 44.266 0.411 1 1 955 . 9 1 1 A 87 87 GLY N N 87 107.458 105.972 1.486 1 1 956 . 9 1 1 A 88 88 PRO HA H 88 4.306 4.509 -0.203 1 1 963 . 9 1 1 A 88 88 PRO C C 88 175.247 176.459 -1.212 1 1 964 . 9 1 1 A 88 88 PRO CA C 88 64.596 64.207 0.389 1 1 965 . 9 1 1 A 88 88 PRO CB C 88 32.405 32.131 0.274 1 1 968 . 9 1 1 A 89 89 GLN H H 89 7.606 8.135 -0.529 1 1 969 . 9 1 1 A 89 89 GLN HA H 89 5.343 4.908 0.435 1 1 976 . 9 1 1 A 89 89 GLN C C 89 173.750 174.646 -0.896 1 1 977 . 9 1 1 A 89 89 GLN CA C 89 54.626 55.243 -0.617 1 1 978 . 9 1 1 A 89 89 GLN CB C 89 31.870 29.981 1.889 1 1 980 . 9 1 1 A 89 89 GLN N N 89 116.964 118.705 -1.741 1 1 982 . 9 1 1 A 90 90 LEU H H 90 8.610 8.624 -0.014 1 1 983 . 9 1 1 A 90 90 LEU HA H 90 4.757 4.810 -0.053 1 1 993 . 9 1 1 A 90 90 LEU C C 90 173.607 175.331 -1.724 1 1 994 . 9 1 1 A 90 90 LEU CA C 90 53.730 53.652 0.078 1 1 995 . 9 1 1 A 90 90 LEU CB C 90 45.549 44.139 1.410 1 1 999 . 9 1 1 A 90 90 LEU N N 90 124.460 127.008 -2.548 1 1 1000 . 9 1 1 A 91 91 HIS H H 91 8.826 8.876 -0.050 1 1 1001 . 9 1 1 A 91 91 HIS HA H 91 5.207 5.506 -0.299 1 1 1006 . 9 1 1 A 91 91 HIS C C 91 174.745 173.241 1.504 1 1 1007 . 9 1 1 A 91 91 HIS CA C 91 55.093 53.981 1.112 1 1 1008 . 9 1 1 A 91 91 HIS CB C 91 32.686 32.841 -0.155 1 1 1011 . 9 1 1 A 91 91 HIS N N 91 126.871 126.157 0.714 1 1 1012 . 9 1 1 A 92 92 LEU H H 92 9.024 8.467 0.557 1 1 1013 . 9 1 1 A 92 92 LEU HA H 92 5.203 4.787 0.416 1 1 1023 . 9 1 1 A 92 92 LEU C C 92 175.889 175.408 0.481 1 1 1024 . 9 1 1 A 92 92 LEU CA C 92 52.955 53.579 -0.624 1 1 1025 . 9 1 1 A 92 92 LEU CB C 92 46.233 45.387 0.846 1 1 1029 . 9 1 1 A 92 92 LEU N N 92 125.837 128.686 -2.849 1 1 1030 . 9 1 1 A 93 93 VAL H H 93 7.739 8.651 -0.912 1 1 1031 . 9 1 1 A 93 93 VAL HA H 93 4.568 4.440 0.128 1 1 1039 . 9 1 1 A 93 93 VAL C C 93 174.538 174.923 -0.385 1 1 1040 . 9 1 1 A 93 93 VAL CA C 93 62.666 62.159 0.507 1 1 1041 . 9 1 1 A 93 93 VAL CB C 93 32.838 31.384 1.454 1 1 1044 . 9 1 1 A 93 93 VAL N N 93 120.566 125.711 -5.145 1 1 1045 . 9 1 1 A 94 94 ILE H H 94 8.965 8.848 0.117 1 1 1046 . 9 1 1 A 94 94 ILE HA H 94 5.152 4.707 0.445 1 1 1056 . 9 1 1 A 94 94 ILE C C 94 174.723 174.338 0.385 1 1 1057 . 9 1 1 A 94 94 ILE CA C 94 56.360 59.111 -2.751 1 1 1058 . 9 1 1 A 94 94 ILE CB C 94 39.214 40.485 -1.271 1 1 1062 . 9 1 1 A 94 94 ILE N N 94 128.952 127.793 1.159 1 1 1063 . 9 1 1 A 95 95 ARG H H 95 8.286 8.378 -0.092 1 1 1064 . 9 1 1 A 95 95 ARG HA H 95 4.715 4.405 0.310 1 1 1071 . 9 1 1 A 95 95 ARG C C 95 173.665 175.036 -1.371 1 1 1072 . 9 1 1 A 95 95 ARG CA C 95 54.982 54.270 0.712 1 1 1073 . 9 1 1 A 95 95 ARG CB C 95 34.833 32.847 1.986 1 1 1076 . 9 1 1 A 95 95 ARG N N 95 120.920 126.175 -5.255 1 1 1077 . 9 1 1 A 96 96 ARG H H 96 9.238 8.811 0.427 1 1 1078 . 9 1 1 A 96 96 ARG HA H 96 4.984 4.332 0.652 1 1 1086 . 9 1 1 A 96 96 ARG C C 96 174.582 174.872 -0.290 1 1 1087 . 9 1 1 A 96 96 ARG CA C 96 53.219 54.467 -1.248 1 1 1088 . 9 1 1 A 96 96 ARG CB C 96 31.369 31.354 0.015 1 1 1091 . 9 1 1 A 96 96 ARG N N 96 129.955 128.660 1.295 1 1 1093 . 9 1 1 A 97 97 PRO HA H 97 4.424 4.553 -0.129 1 1 1100 . 9 1 1 A 97 97 PRO C C 97 176.289 176.935 -0.646 1 1 1101 . 9 1 1 A 97 97 PRO CA C 97 63.322 62.439 0.883 1 1 1102 . 9 1 1 A 97 97 PRO CB C 97 32.240 32.378 -0.138 1 1 1105 . 9 1 1 A 98 98 LEU H H 98 8.325 8.171 0.154 1 1 1106 . 9 1 1 A 98 98 LEU HA H 98 4.399 4.349 0.050 1 1 1116 . 9 1 1 A 98 98 LEU C C 98 177.395 177.231 0.164 1 1 1117 . 9 1 1 A 98 98 LEU CA C 98 55.165 54.706 0.459 1 1 1118 . 9 1 1 A 98 98 LEU CB C 98 42.419 43.040 -0.621 1 1 1122 . 9 1 1 A 98 98 LEU N N 98 122.396 120.982 1.414 1 1 1123 . 9 1 1 A 99 99 SER H H 99 8.333 8.640 -0.307 1 1 1124 . 9 1 1 A 99 99 SER HA H 99 4.483 4.571 -0.088 1 1 1127 . 9 1 1 A 99 99 SER C C 99 174.489 175.125 -0.636 1 1 1128 . 9 1 1 A 99 99 SER CA C 99 58.138 60.480 -2.342 1 1 1129 . 9 1 1 A 99 99 SER CB C 99 63.846 64.302 -0.456 1 1 1130 . 9 1 1 A 99 99 SER N N 99 116.892 113.705 3.187 1 1 1131 . 9 1 1 A 100 100 GLY H H 100 8.253 7.840 0.413 1 1 1132 . 9 1 1 A 100 100 GLY HA2 H 100 4.177 3.980 0.197 1 1 1133 . 9 1 1 A 100 100 GLY HA3 H 100 4.101 3.980 0.121 1 1 1134 . 9 1 1 A 100 100 GLY C C 100 171.838 173.247 -1.409 1 1 1135 . 9 1 1 A 100 100 GLY CA C 100 44.679 45.232 -0.553 1 1 1136 . 9 1 1 A 100 100 GLY N N 100 110.703 108.521 2.182 1 1 1137 . 9 1 1 A 101 101 PRO HA H 101 4.480 4.627 -0.147 1 1 1144 . 9 1 1 A 101 101 PRO C C 101 177.411 176.639 0.772 1 1 1145 . 9 1 1 A 101 101 PRO CA C 101 63.312 62.686 0.626 1 1 1146 . 9 1 1 A 101 101 PRO CB C 101 32.158 31.529 0.629 1 1 1149 . 9 1 1 A 102 102 SER H H 102 8.517 8.557 -0.040 1 1 1150 . 9 1 1 A 102 102 SER C C 102 174.655 174.015 0.640 1 1 1151 . 9 1 1 A 102 102 SER CA C 102 58.438 58.697 -0.259 1 1 1152 . 9 1 1 A 102 102 SER CB C 102 63.970 64.091 -0.121 1 1 1 . 10 1 1 A 2 2 SER HA H 2 4.493 4.692 -0.199 1 1 4 . 10 1 1 A 2 2 SER C C 2 174.671 173.580 1.091 1 1 5 . 10 1 1 A 2 2 SER CA C 2 58.438 58.147 0.291 1 1 6 . 10 1 1 A 2 2 SER CB C 2 63.558 62.995 0.563 1 1 7 . 10 1 1 A 3 3 SER H H 3 8.324 8.365 -0.041 1 1 8 . 10 1 1 A 3 3 SER HA H 3 4.493 4.965 -0.472 1 1 11 . 10 1 1 A 3 3 SER C C 3 173.918 174.809 -0.891 1 1 12 . 10 1 1 A 3 3 SER CA C 3 58.455 56.972 1.483 1 1 13 . 10 1 1 A 3 3 SER CB C 3 63.929 64.820 -0.891 1 1 14 . 10 1 1 A 3 3 SER N N 3 117.862 121.345 -3.483 1 1 15 . 10 1 1 A 4 4 GLY H H 4 8.045 8.420 -0.375 1 1 16 . 10 1 1 A 4 4 GLY C C 4 179.001 174.591 4.410 1 1 17 . 10 1 1 A 4 4 GLY CA C 4 46.201 46.129 0.072 1 1 18 . 10 1 1 A 4 4 GLY N N 4 116.862 113.824 3.038 1 1 19 . 10 1 1 A 6 6 SER HA H 6 4.461 4.503 -0.042 1 1 22 . 10 1 1 A 6 6 SER C C 6 175.170 175.499 -0.329 1 1 23 . 10 1 1 A 6 6 SER CA C 6 58.755 60.557 -1.802 1 1 24 . 10 1 1 A 6 6 SER CB C 6 63.862 64.408 -0.546 1 1 25 . 10 1 1 A 7 7 GLY H H 7 8.432 7.440 0.992 1 1 26 . 10 1 1 A 7 7 GLY HA2 H 7 3.966 4.158 -0.192 1 1 27 . 10 1 1 A 7 7 GLY C C 7 174.309 174.359 -0.050 1 1 28 . 10 1 1 A 7 7 GLY CA C 7 45.408 45.875 -0.467 1 1 29 . 10 1 1 A 7 7 GLY N N 7 110.678 104.689 5.989 1 1 30 . 10 1 1 A 8 8 GLN H H 8 8.210 8.584 -0.374 1 1 31 . 10 1 1 A 8 8 GLN HA H 8 4.324 4.254 0.070 1 1 38 . 10 1 1 A 8 8 GLN C C 8 176.037 176.444 -0.407 1 1 39 . 10 1 1 A 8 8 GLN CA C 8 55.970 58.402 -2.432 1 1 40 . 10 1 1 A 8 8 GLN CB C 8 29.562 29.582 -0.020 1 1 42 . 10 1 1 A 8 8 GLN N N 8 119.977 120.442 -0.465 1 1 44 . 10 1 1 A 9 9 ALA H H 9 8.394 7.883 0.511 1 1 45 . 10 1 1 A 9 9 ALA HA H 9 4.319 4.784 -0.465 1 1 49 . 10 1 1 A 9 9 ALA C C 9 177.635 175.362 2.273 1 1 50 . 10 1 1 A 9 9 ALA CA C 9 52.531 50.890 1.641 1 1 51 . 10 1 1 A 9 9 ALA CB C 9 19.136 22.666 -3.530 1 1 52 . 10 1 1 A 9 9 ALA N N 9 125.301 120.370 4.931 1 1 53 . 10 1 1 A 10 10 SER H H 10 8.259 8.770 -0.511 1 1 54 . 10 1 1 A 10 10 SER HA H 10 4.440 4.634 -0.194 1 1 57 . 10 1 1 A 10 10 SER C C 10 175.138 175.042 0.096 1 1 58 . 10 1 1 A 10 10 SER CA C 10 58.649 58.703 -0.054 1 1 59 . 10 1 1 A 10 10 SER CB C 10 63.888 63.902 -0.014 1 1 60 . 10 1 1 A 10 10 SER N N 10 114.874 117.331 -2.457 1 1 61 . 10 1 1 A 11 11 GLY H H 11 8.493 8.782 -0.289 1 1 62 . 10 1 1 A 11 11 GLY HA2 H 11 4.039 3.790 0.249 1 1 63 . 10 1 1 A 11 11 GLY HA3 H 11 4.039 3.969 0.070 1 1 64 . 10 1 1 A 11 11 GLY C C 11 173.678 174.464 -0.786 1 1 65 . 10 1 1 A 11 11 GLY CA C 11 45.531 45.301 0.230 1 1 66 . 10 1 1 A 11 11 GLY N N 11 110.301 115.005 -4.704 1 1 67 . 10 1 1 A 12 12 HIS H H 12 7.970 7.151 0.819 1 1 68 . 10 1 1 A 12 12 HIS HA H 12 5.442 4.342 1.100 1 1 73 . 10 1 1 A 12 12 HIS C C 12 175.304 174.881 0.423 1 1 74 . 10 1 1 A 12 12 HIS CA C 12 55.095 56.885 -1.790 1 1 75 . 10 1 1 A 12 12 HIS CB C 12 31.849 30.462 1.387 1 1 78 . 10 1 1 A 12 12 HIS N N 12 119.432 119.021 0.411 1 1 79 . 10 1 1 A 13 13 PHE H H 13 8.940 8.601 0.339 1 1 80 . 10 1 1 A 13 13 PHE HA H 13 5.072 5.575 -0.503 1 1 88 . 10 1 1 A 13 13 PHE C C 13 172.688 173.663 -0.975 1 1 89 . 10 1 1 A 13 13 PHE CA C 13 56.269 55.138 1.131 1 1 90 . 10 1 1 A 13 13 PHE CB C 13 40.835 42.074 -1.239 1 1 96 . 10 1 1 A 13 13 PHE N N 13 118.413 121.420 -3.007 1 1 97 . 10 1 1 A 14 14 SER H H 14 8.709 8.891 -0.182 1 1 98 . 10 1 1 A 14 14 SER HA H 14 5.580 5.373 0.207 1 1 101 . 10 1 1 A 14 14 SER C C 14 174.119 172.831 1.288 1 1 102 . 10 1 1 A 14 14 SER CA C 14 56.974 57.189 -0.215 1 1 103 . 10 1 1 A 14 14 SER CB C 14 65.778 65.160 0.618 1 1 104 . 10 1 1 A 14 14 SER N N 14 115.082 116.647 -1.565 1 1 105 . 10 1 1 A 15 15 VAL H H 15 8.801 8.535 0.266 1 1 106 . 10 1 1 A 15 15 VAL HA H 15 4.373 4.682 -0.309 1 1 114 . 10 1 1 A 15 15 VAL C C 15 173.002 174.748 -1.746 1 1 115 . 10 1 1 A 15 15 VAL CA C 15 61.312 61.309 0.003 1 1 116 . 10 1 1 A 15 15 VAL CB C 15 36.461 33.949 2.512 1 1 119 . 10 1 1 A 15 15 VAL N N 15 121.148 123.173 -2.025 1 1 120 . 10 1 1 A 16 16 GLU H H 16 8.383 8.954 -0.571 1 1 121 . 10 1 1 A 16 16 GLU HA H 16 5.299 5.312 -0.013 1 1 126 . 10 1 1 A 16 16 GLU C C 16 175.408 175.505 -0.097 1 1 127 . 10 1 1 A 16 16 GLU CA C 16 54.594 55.382 -0.788 1 1 128 . 10 1 1 A 16 16 GLU CB C 16 31.993 31.062 0.931 1 1 130 . 10 1 1 A 16 16 GLU N N 16 125.925 127.154 -1.229 1 1 131 . 10 1 1 A 17 17 LEU H H 17 9.172 8.611 0.561 1 1 132 . 10 1 1 A 17 17 LEU HA H 17 5.000 5.158 -0.158 1 1 142 . 10 1 1 A 17 17 LEU C C 17 175.596 175.837 -0.241 1 1 143 . 10 1 1 A 17 17 LEU CA C 17 52.919 53.519 -0.600 1 1 144 . 10 1 1 A 17 17 LEU CB C 17 47.317 46.188 1.129 1 1 148 . 10 1 1 A 17 17 LEU N N 17 122.761 126.211 -3.450 1 1 149 . 10 1 1 A 18 18 VAL H H 18 8.546 8.900 -0.354 1 1 150 . 10 1 1 A 18 18 VAL HA H 18 4.831 4.696 0.135 1 1 158 . 10 1 1 A 18 18 VAL C C 18 175.783 176.121 -0.338 1 1 159 . 10 1 1 A 18 18 VAL CA C 18 61.277 61.254 0.023 1 1 160 . 10 1 1 A 18 18 VAL CB C 18 33.600 33.063 0.537 1 1 163 . 10 1 1 A 18 18 VAL N N 18 122.523 122.471 0.052 1 1 164 . 10 1 1 A 19 19 ARG H H 19 8.495 8.090 0.405 1 1 165 . 10 1 1 A 19 19 ARG HA H 19 2.868 2.824 0.044 1 1 172 . 10 1 1 A 19 19 ARG C C 19 176.248 175.566 0.682 1 1 173 . 10 1 1 A 19 19 ARG CA C 19 58.138 56.884 1.254 1 1 174 . 10 1 1 A 19 19 ARG CB C 19 30.839 30.373 0.466 1 1 177 . 10 1 1 A 19 19 ARG N N 19 127.015 128.441 -1.426 1 1 178 . 10 1 1 A 20 20 GLY H H 20 7.244 8.175 -0.931 1 1 179 . 10 1 1 A 20 20 GLY HA2 H 20 4.504 4.011 0.493 1 1 180 . 10 1 1 A 20 20 GLY HA3 H 20 3.750 4.024 -0.274 1 1 181 . 10 1 1 A 20 20 GLY C C 20 175.286 172.402 2.884 1 1 182 . 10 1 1 A 20 20 GLY CA C 20 44.131 44.115 0.016 1 1 183 . 10 1 1 A 20 20 GLY N N 20 112.266 112.774 -0.508 1 1 184 . 10 1 1 A 21 21 TYR HA H 21 4.219 4.376 -0.157 1 1 191 . 10 1 1 A 21 21 TYR C C 21 176.309 175.723 0.586 1 1 192 . 10 1 1 A 21 21 TYR CA C 21 60.518 58.515 2.003 1 1 193 . 10 1 1 A 21 21 TYR CB C 21 37.826 38.789 -0.963 1 1 198 . 10 1 1 A 22 22 ALA H H 22 8.272 8.574 -0.302 1 1 199 . 10 1 1 A 22 22 ALA HA H 22 4.404 3.801 0.603 1 1 203 . 10 1 1 A 22 22 ALA C C 22 177.312 177.257 0.055 1 1 204 . 10 1 1 A 22 22 ALA CA C 22 50.816 53.088 -2.272 1 1 205 . 10 1 1 A 22 22 ALA CB C 22 18.455 18.110 0.345 1 1 206 . 10 1 1 A 22 22 ALA N N 22 121.539 127.671 -6.132 1 1 207 . 10 1 1 A 23 23 GLY H H 23 7.495 8.234 -0.739 1 1 208 . 10 1 1 A 23 23 GLY HA2 H 23 4.541 3.807 0.734 1 1 209 . 10 1 1 A 23 23 GLY HA3 H 23 3.238 3.934 -0.696 1 1 210 . 10 1 1 A 23 23 GLY C C 23 175.043 175.041 0.002 1 1 211 . 10 1 1 A 23 23 GLY CA C 23 44.897 45.354 -0.457 1 1 212 . 10 1 1 A 23 23 GLY N N 23 106.744 103.198 3.546 1 1 213 . 10 1 1 A 24 24 PHE H H 24 7.242 8.780 -1.538 1 1 214 . 10 1 1 A 24 24 PHE HA H 24 4.369 4.538 -0.169 1 1 222 . 10 1 1 A 24 24 PHE C C 24 175.902 175.799 0.103 1 1 223 . 10 1 1 A 24 24 PHE CA C 24 60.347 58.104 2.243 1 1 224 . 10 1 1 A 24 24 PHE CB C 24 39.575 39.313 0.262 1 1 230 . 10 1 1 A 25 25 GLY H H 25 8.820 8.039 0.781 1 1 231 . 10 1 1 A 25 25 GLY HA2 H 25 4.134 4.028 0.106 1 1 232 . 10 1 1 A 25 25 GLY HA3 H 25 3.913 4.035 -0.122 1 1 233 . 10 1 1 A 25 25 GLY C C 25 174.585 174.528 0.057 1 1 234 . 10 1 1 A 25 25 GLY CA C 25 47.030 46.685 0.345 1 1 235 . 10 1 1 A 25 25 GLY N N 25 107.899 109.555 -1.656 1 1 236 . 10 1 1 A 26 26 LEU H H 26 7.991 7.840 0.151 1 1 237 . 10 1 1 A 26 26 LEU HA H 26 4.990 4.850 0.140 1 1 247 . 10 1 1 A 26 26 LEU C C 26 174.135 175.377 -1.242 1 1 248 . 10 1 1 A 26 26 LEU CA C 26 53.906 53.699 0.207 1 1 249 . 10 1 1 A 26 26 LEU CB C 26 45.939 44.316 1.623 1 1 253 . 10 1 1 A 26 26 LEU N N 26 122.133 122.682 -0.549 1 1 254 . 10 1 1 A 27 27 THR H H 27 8.657 8.705 -0.048 1 1 255 . 10 1 1 A 27 27 THR HA H 27 4.662 5.261 -0.599 1 1 260 . 10 1 1 A 27 27 THR C C 27 174.074 173.452 0.622 1 1 261 . 10 1 1 A 27 27 THR CA C 27 61.382 61.320 0.062 1 1 262 . 10 1 1 A 27 27 THR CB C 27 70.010 72.251 -2.241 1 1 264 . 10 1 1 A 27 27 THR N N 27 121.262 122.743 -1.481 1 1 265 . 10 1 1 A 28 28 LEU H H 28 9.692 8.933 0.759 1 1 266 . 10 1 1 A 28 28 LEU HA H 28 5.297 5.246 0.051 1 1 276 . 10 1 1 A 28 28 LEU C C 28 175.414 175.786 -0.372 1 1 277 . 10 1 1 A 28 28 LEU CA C 28 53.219 53.058 0.161 1 1 278 . 10 1 1 A 28 28 LEU CB C 28 45.049 44.988 0.061 1 1 282 . 10 1 1 A 28 28 LEU N N 28 128.374 125.166 3.208 1 1 283 . 10 1 1 A 29 29 GLY H H 29 8.818 8.749 0.069 1 1 284 . 10 1 1 A 29 29 GLY HA2 H 29 4.089 4.110 -0.021 1 1 285 . 10 1 1 A 29 29 GLY HA3 H 29 3.664 4.158 -0.494 1 1 286 . 10 1 1 A 29 29 GLY C C 29 171.700 174.434 -2.734 1 1 287 . 10 1 1 A 29 29 GLY CA C 29 44.086 44.662 -0.576 1 1 288 . 10 1 1 A 29 29 GLY N N 29 106.574 111.671 -5.097 1 1 289 . 10 1 1 A 30 30 GLY H H 30 8.339 8.148 0.191 1 1 290 . 10 1 1 A 30 30 GLY HA2 H 30 4.434 4.029 0.405 1 1 291 . 10 1 1 A 30 30 GLY HA3 H 30 3.554 4.055 -0.501 1 1 292 . 10 1 1 A 30 30 GLY C C 30 174.290 173.756 0.534 1 1 293 . 10 1 1 A 30 30 GLY CA C 30 44.879 44.578 0.301 1 1 294 . 10 1 1 A 30 30 GLY N N 30 107.245 112.180 -4.935 1 1 295 . 10 1 1 A 31 31 GLY H H 31 7.292 8.510 -1.218 1 1 296 . 10 1 1 A 31 31 GLY HA2 H 31 4.439 4.106 0.333 1 1 297 . 10 1 1 A 31 31 GLY HA3 H 31 4.000 4.134 -0.134 1 1 298 . 10 1 1 A 31 31 GLY C C 31 174.513 173.453 1.060 1 1 299 . 10 1 1 A 31 31 GLY CA C 31 43.589 44.545 -0.956 1 1 300 . 10 1 1 A 31 31 GLY N N 31 107.984 108.488 -0.504 1 1 301 . 10 1 1 A 32 32 ARG H H 32 8.065 8.308 -0.243 1 1 302 . 10 1 1 A 32 32 ARG HA H 32 4.380 4.365 0.015 1 1 309 . 10 1 1 A 32 32 ARG C C 32 176.139 174.717 1.422 1 1 310 . 10 1 1 A 32 32 ARG CA C 32 57.354 56.379 0.975 1 1 311 . 10 1 1 A 32 32 ARG CB C 32 30.080 31.011 -0.931 1 1 314 . 10 1 1 A 32 32 ARG N N 32 121.733 120.852 0.881 1 1 315 . 10 1 1 A 33 33 ASP H H 33 8.916 8.752 0.164 1 1 316 . 10 1 1 A 33 33 ASP HA H 33 4.799 5.032 -0.233 1 1 319 . 10 1 1 A 33 33 ASP C C 33 176.381 176.543 -0.162 1 1 320 . 10 1 1 A 33 33 ASP CA C 33 53.783 52.669 1.114 1 1 321 . 10 1 1 A 33 33 ASP CB C 33 43.712 43.364 0.348 1 1 322 . 10 1 1 A 33 33 ASP N N 33 126.313 126.649 -0.336 1 1 323 . 10 1 1 A 34 34 VAL H H 34 8.372 8.631 -0.259 1 1 324 . 10 1 1 A 34 34 VAL HA H 34 3.943 3.915 0.028 1 1 329 . 10 1 1 A 34 34 VAL C C 34 176.591 177.229 -0.638 1 1 330 . 10 1 1 A 34 34 VAL CA C 34 64.644 64.683 -0.039 1 1 331 . 10 1 1 A 34 34 VAL CB C 34 31.796 31.833 -0.037 1 1 333 . 10 1 1 A 34 34 VAL N N 34 121.465 124.941 -3.476 1 1 334 . 10 1 1 A 35 35 ALA H H 35 8.577 7.477 1.100 1 1 335 . 10 1 1 A 35 35 ALA HA H 35 4.386 4.338 0.048 1 1 339 . 10 1 1 A 35 35 ALA C C 35 177.532 177.585 -0.053 1 1 340 . 10 1 1 A 35 35 ALA CA C 35 52.589 52.905 -0.316 1 1 341 . 10 1 1 A 35 35 ALA CB C 35 19.095 20.098 -1.003 1 1 342 . 10 1 1 A 35 35 ALA N N 35 123.222 121.800 1.422 1 1 343 . 10 1 1 A 36 36 GLY H H 36 7.816 7.552 0.264 1 1 344 . 10 1 1 A 36 36 GLY HA2 H 36 4.274 4.056 0.218 1 1 345 . 10 1 1 A 36 36 GLY HA3 H 36 3.723 4.059 -0.336 1 1 346 . 10 1 1 A 36 36 GLY C C 36 172.610 171.237 1.373 1 1 347 . 10 1 1 A 36 36 GLY CA C 36 45.161 45.594 -0.433 1 1 348 . 10 1 1 A 36 36 GLY N N 36 107.925 102.688 5.237 1 1 349 . 10 1 1 A 37 37 ASP H H 37 8.604 8.445 0.159 1 1 350 . 10 1 1 A 37 37 ASP HA H 37 4.810 5.304 -0.494 1 1 353 . 10 1 1 A 37 37 ASP C C 37 176.081 175.379 0.702 1 1 354 . 10 1 1 A 37 37 ASP CA C 37 54.700 53.676 1.024 1 1 355 . 10 1 1 A 37 37 ASP CB C 37 41.076 42.034 -0.958 1 1 356 . 10 1 1 A 37 37 ASP N N 37 124.969 122.192 2.777 1 1 357 . 10 1 1 A 38 38 THR H H 38 7.679 8.714 -1.035 1 1 358 . 10 1 1 A 38 38 THR HA H 38 4.704 5.051 -0.347 1 1 363 . 10 1 1 A 38 38 THR C C 38 172.712 171.699 1.013 1 1 364 . 10 1 1 A 38 38 THR CA C 38 59.810 58.233 1.577 1 1 365 . 10 1 1 A 38 38 THR CB C 38 70.420 70.860 -0.440 1 1 367 . 10 1 1 A 38 38 THR N N 38 116.498 113.474 3.024 1 1 368 . 10 1 1 A 39 39 PRO HA H 39 4.305 4.645 -0.340 1 1 375 . 10 1 1 A 39 39 PRO C C 39 176.355 176.954 -0.599 1 1 376 . 10 1 1 A 39 39 PRO CA C 39 63.304 62.757 0.547 1 1 377 . 10 1 1 A 39 39 PRO CB C 39 32.703 31.684 1.019 1 1 380 . 10 1 1 A 40 40 LEU H H 40 8.247 8.173 0.074 1 1 381 . 10 1 1 A 40 40 LEU HA H 40 4.704 4.265 0.439 1 1 391 . 10 1 1 A 40 40 LEU C C 40 176.631 177.206 -0.575 1 1 392 . 10 1 1 A 40 40 LEU CA C 40 55.352 55.357 -0.005 1 1 393 . 10 1 1 A 40 40 LEU CB C 40 42.524 42.272 0.252 1 1 397 . 10 1 1 A 40 40 LEU N N 40 125.558 124.051 1.507 1 1 398 . 10 1 1 A 41 41 ALA H H 41 8.856 8.629 0.227 1 1 399 . 10 1 1 A 41 41 ALA HA H 41 5.465 5.151 0.314 1 1 403 . 10 1 1 A 41 41 ALA C C 41 176.658 176.361 0.297 1 1 404 . 10 1 1 A 41 41 ALA CA C 41 50.503 50.937 -0.434 1 1 405 . 10 1 1 A 41 41 ALA CB C 41 24.074 22.941 1.133 1 1 406 . 10 1 1 A 41 41 ALA N N 41 128.426 126.257 2.169 1 1 407 . 10 1 1 A 42 42 VAL H H 42 9.160 9.210 -0.050 1 1 408 . 10 1 1 A 42 42 VAL HA H 42 3.803 4.074 -0.271 1 1 416 . 10 1 1 A 42 42 VAL C C 42 176.499 175.744 0.755 1 1 417 . 10 1 1 A 42 42 VAL CA C 42 64.196 63.692 0.504 1 1 418 . 10 1 1 A 42 42 VAL CB C 42 31.773 32.056 -0.283 1 1 421 . 10 1 1 A 42 42 VAL N N 42 119.342 122.855 -3.513 1 1 422 . 10 1 1 A 43 43 ARG H H 43 9.385 9.106 0.279 1 1 423 . 10 1 1 A 43 43 ARG HA H 43 4.527 4.434 0.093 1 1 430 . 10 1 1 A 43 43 ARG C C 43 175.332 175.974 -0.642 1 1 431 . 10 1 1 A 43 43 ARG CA C 43 55.340 57.070 -1.730 1 1 432 . 10 1 1 A 43 43 ARG CB C 43 32.242 31.815 0.427 1 1 435 . 10 1 1 A 43 43 ARG N N 43 131.043 128.654 2.389 1 1 436 . 10 1 1 A 44 44 GLY H H 44 7.872 7.837 0.035 1 1 437 . 10 1 1 A 44 44 GLY HA2 H 44 4.155 4.186 -0.031 1 1 438 . 10 1 1 A 44 44 GLY HA3 H 44 3.765 4.189 -0.424 1 1 439 . 10 1 1 A 44 44 GLY C C 44 170.284 171.785 -1.501 1 1 440 . 10 1 1 A 44 44 GLY CA C 44 45.602 44.000 1.602 1 1 441 . 10 1 1 A 44 44 GLY N N 44 107.517 107.638 -0.121 1 1 442 . 10 1 1 A 45 45 LEU H H 45 8.455 9.418 -0.963 1 1 443 . 10 1 1 A 45 45 LEU HA H 45 4.915 4.924 -0.009 1 1 453 . 10 1 1 A 45 45 LEU C C 45 175.215 176.679 -1.464 1 1 454 . 10 1 1 A 45 45 LEU CA C 45 52.795 54.158 -1.363 1 1 455 . 10 1 1 A 45 45 LEU CB C 45 44.824 43.606 1.218 1 1 459 . 10 1 1 A 45 45 LEU N N 45 121.812 122.885 -1.073 1 1 460 . 10 1 1 A 46 46 LEU H H 46 7.582 8.793 -1.211 1 1 461 . 10 1 1 A 46 46 LEU HA H 46 4.208 4.417 -0.209 1 1 471 . 10 1 1 A 46 46 LEU C C 46 177.935 176.564 1.371 1 1 472 . 10 1 1 A 46 46 LEU CA C 46 54.984 55.925 -0.941 1 1 473 . 10 1 1 A 46 46 LEU CB C 46 42.815 42.658 0.157 1 1 477 . 10 1 1 A 46 46 LEU N N 46 124.670 128.545 -3.875 1 1 478 . 10 1 1 A 47 47 LYS H H 47 8.959 8.679 0.280 1 1 479 . 10 1 1 A 47 47 LYS HA H 47 3.875 3.912 -0.037 1 1 488 . 10 1 1 A 47 47 LYS C C 47 176.699 177.015 -0.316 1 1 489 . 10 1 1 A 47 47 LYS CA C 47 58.861 57.567 1.294 1 1 490 . 10 1 1 A 47 47 LYS CB C 47 32.076 32.591 -0.515 1 1 494 . 10 1 1 A 47 47 LYS N N 47 129.726 127.767 1.959 1 1 495 . 10 1 1 A 48 48 ASP H H 48 8.845 8.757 0.088 1 1 496 . 10 1 1 A 48 48 ASP HA H 48 4.395 4.304 0.091 1 1 499 . 10 1 1 A 48 48 ASP C C 48 175.442 175.224 0.218 1 1 500 . 10 1 1 A 48 48 ASP CA C 48 56.632 55.503 1.129 1 1 501 . 10 1 1 A 48 48 ASP CB C 48 39.740 40.227 -0.487 1 1 502 . 10 1 1 A 48 48 ASP N N 48 119.883 124.970 -5.087 1 1 503 . 10 1 1 A 49 49 GLY H H 49 7.947 7.507 0.440 1 1 504 . 10 1 1 A 49 49 GLY HA2 H 49 4.578 4.175 0.403 1 1 505 . 10 1 1 A 49 49 GLY HA3 H 49 3.748 4.185 -0.437 1 1 506 . 10 1 1 A 49 49 GLY C C 49 172.008 174.803 -2.795 1 1 507 . 10 1 1 A 49 49 GLY CA C 49 45.000 44.031 0.969 1 1 508 . 10 1 1 A 49 49 GLY N N 49 106.565 108.193 -1.628 1 1 509 . 10 1 1 A 50 50 PRO HA H 50 4.268 4.333 -0.065 1 1 516 . 10 1 1 A 50 50 PRO C C 50 179.273 178.884 0.389 1 1 517 . 10 1 1 A 50 50 PRO CA C 50 65.791 65.253 0.538 1 1 518 . 10 1 1 A 50 50 PRO CB C 50 32.532 32.051 0.481 1 1 521 . 10 1 1 A 51 51 ALA H H 51 7.805 8.318 -0.513 1 1 522 . 10 1 1 A 51 51 ALA HA H 51 4.167 4.100 0.067 1 1 526 . 10 1 1 A 51 51 ALA C C 51 178.947 179.982 -1.035 1 1 527 . 10 1 1 A 51 51 ALA CA C 51 55.079 55.298 -0.219 1 1 528 . 10 1 1 A 51 51 ALA CB C 51 18.988 18.444 0.544 1 1 529 . 10 1 1 A 51 51 ALA N N 51 119.037 119.078 -0.041 1 1 530 . 10 1 1 A 52 52 GLN H H 52 9.614 7.916 1.698 1 1 531 . 10 1 1 A 52 52 GLN HA H 52 3.969 4.077 -0.108 1 1 538 . 10 1 1 A 52 52 GLN C C 52 178.509 178.400 0.109 1 1 539 . 10 1 1 A 52 52 GLN CA C 52 59.529 58.909 0.620 1 1 540 . 10 1 1 A 52 52 GLN CB C 52 29.107 28.272 0.835 1 1 542 . 10 1 1 A 52 52 GLN N N 52 122.017 117.662 4.355 1 1 544 . 10 1 1 A 53 53 ARG H H 53 8.524 8.108 0.416 1 1 545 . 10 1 1 A 53 53 ARG HA H 53 3.996 4.057 -0.061 1 1 552 . 10 1 1 A 53 53 ARG C C 53 178.479 178.927 -0.448 1 1 553 . 10 1 1 A 53 53 ARG CA C 53 58.825 59.473 -0.648 1 1 554 . 10 1 1 A 53 53 ARG CB C 53 30.546 30.543 0.003 1 1 557 . 10 1 1 A 53 53 ARG N N 53 116.703 119.426 -2.723 1 1 558 . 10 1 1 A 54 54 CYS H H 54 7.589 8.106 -0.517 1 1 559 . 10 1 1 A 54 54 CYS HA H 54 4.641 4.315 0.326 1 1 562 . 10 1 1 A 54 54 CYS C C 54 175.840 175.712 0.128 1 1 563 . 10 1 1 A 54 54 CYS CA C 54 59.724 60.272 -0.548 1 1 564 . 10 1 1 A 54 54 CYS CB C 54 27.419 28.741 -1.322 1 1 565 . 10 1 1 A 54 54 CYS N N 54 113.424 117.277 -3.853 1 1 566 . 10 1 1 A 55 55 GLY H H 55 7.436 7.336 0.100 1 1 567 . 10 1 1 A 55 55 GLY HA2 H 55 4.082 3.943 0.139 1 1 568 . 10 1 1 A 55 55 GLY HA3 H 55 4.082 3.954 0.128 1 1 569 . 10 1 1 A 55 55 GLY C C 55 174.435 175.800 -1.365 1 1 570 . 10 1 1 A 55 55 GLY CA C 55 46.977 45.444 1.533 1 1 571 . 10 1 1 A 55 55 GLY N N 55 109.572 109.525 0.047 1 1 572 . 10 1 1 A 56 56 ARG H H 56 7.860 8.217 -0.357 1 1 573 . 10 1 1 A 56 56 ARG HA H 56 4.472 3.984 0.488 1 1 580 . 10 1 1 A 56 56 ARG C C 56 174.959 176.696 -1.737 1 1 581 . 10 1 1 A 56 56 ARG CA C 56 55.687 58.693 -3.006 1 1 582 . 10 1 1 A 56 56 ARG CB C 56 32.785 30.063 2.722 1 1 585 . 10 1 1 A 56 56 ARG N N 56 118.137 120.029 -1.892 1 1 586 . 10 1 1 A 57 57 LEU H H 57 8.219 8.020 0.199 1 1 587 . 10 1 1 A 57 57 LEU HA H 57 4.926 4.701 0.225 1 1 597 . 10 1 1 A 57 57 LEU C C 57 175.333 175.919 -0.586 1 1 598 . 10 1 1 A 57 57 LEU CA C 57 53.043 53.640 -0.597 1 1 599 . 10 1 1 A 57 57 LEU CB C 57 46.459 43.695 2.764 1 1 603 . 10 1 1 A 57 57 LEU N N 57 117.496 119.527 -2.031 1 1 604 . 10 1 1 A 58 58 GLU H H 58 9.053 9.011 0.042 1 1 605 . 10 1 1 A 58 58 GLU HA H 58 4.460 4.944 -0.484 1 1 610 . 10 1 1 A 58 58 GLU C C 58 175.683 176.093 -0.410 1 1 611 . 10 1 1 A 58 58 GLU CA C 58 54.144 54.345 -0.201 1 1 612 . 10 1 1 A 58 58 GLU CB C 58 33.286 33.882 -0.596 1 1 614 . 10 1 1 A 58 58 GLU N N 58 121.883 123.176 -1.293 1 1 615 . 10 1 1 A 59 59 VAL H H 59 8.727 8.560 0.167 1 1 616 . 10 1 1 A 59 59 VAL HA H 59 3.213 3.586 -0.373 1 1 624 . 10 1 1 A 59 59 VAL C C 59 177.728 177.009 0.719 1 1 625 . 10 1 1 A 59 59 VAL CA C 59 65.823 65.500 0.323 1 1 626 . 10 1 1 A 59 59 VAL CB C 59 31.151 31.179 -0.028 1 1 629 . 10 1 1 A 59 59 VAL N N 59 121.698 122.711 -1.013 1 1 630 . 10 1 1 A 60 60 GLY H H 60 9.172 8.743 0.429 1 1 631 . 10 1 1 A 60 60 GLY HA2 H 60 4.500 4.023 0.477 1 1 632 . 10 1 1 A 60 60 GLY HA3 H 60 3.469 4.026 -0.557 1 1 633 . 10 1 1 A 60 60 GLY C C 60 173.646 174.350 -0.704 1 1 634 . 10 1 1 A 60 60 GLY CA C 60 44.148 44.968 -0.820 1 1 635 . 10 1 1 A 60 60 GLY N N 60 117.734 115.514 2.220 1 1 636 . 10 1 1 A 61 61 ASP H H 61 7.877 7.899 -0.022 1 1 637 . 10 1 1 A 61 61 ASP HA H 61 4.551 4.655 -0.104 1 1 640 . 10 1 1 A 61 61 ASP C C 61 175.437 175.556 -0.119 1 1 641 . 10 1 1 A 61 61 ASP CA C 61 56.057 54.470 1.587 1 1 642 . 10 1 1 A 61 61 ASP CB C 61 40.660 41.609 -0.949 1 1 643 . 10 1 1 A 61 61 ASP N N 61 121.399 120.894 0.505 1 1 644 . 10 1 1 A 62 62 LEU H H 62 8.773 8.487 0.286 1 1 645 . 10 1 1 A 62 62 LEU HA H 62 4.713 4.838 -0.125 1 1 655 . 10 1 1 A 62 62 LEU C C 62 176.560 175.527 1.033 1 1 656 . 10 1 1 A 62 62 LEU CA C 62 54.259 53.278 0.981 1 1 657 . 10 1 1 A 62 62 LEU CB C 62 42.022 42.608 -0.586 1 1 661 . 10 1 1 A 62 62 LEU N N 62 120.566 122.661 -2.095 1 1 662 . 10 1 1 A 63 63 VAL H H 63 8.121 8.778 -0.657 1 1 663 . 10 1 1 A 63 63 VAL HA H 63 4.113 4.105 0.008 1 1 671 . 10 1 1 A 63 63 VAL C C 63 175.468 175.400 0.068 1 1 672 . 10 1 1 A 63 63 VAL CA C 63 61.763 62.688 -0.925 1 1 673 . 10 1 1 A 63 63 VAL CB C 63 31.413 31.942 -0.529 1 1 676 . 10 1 1 A 63 63 VAL N N 63 121.172 124.836 -3.664 1 1 677 . 10 1 1 A 64 64 LEU H H 64 9.077 8.670 0.407 1 1 678 . 10 1 1 A 64 64 LEU HA H 64 4.113 4.222 -0.109 1 1 688 . 10 1 1 A 64 64 LEU C C 64 177.611 176.304 1.307 1 1 689 . 10 1 1 A 64 64 LEU CA C 64 56.614 55.453 1.161 1 1 690 . 10 1 1 A 64 64 LEU CB C 64 42.994 42.345 0.649 1 1 694 . 10 1 1 A 64 64 LEU N N 64 130.175 127.924 2.251 1 1 695 . 10 1 1 A 65 65 HIS H H 65 7.510 7.075 0.435 1 1 696 . 10 1 1 A 65 65 HIS HA H 65 5.297 5.172 0.125 1 1 701 . 10 1 1 A 65 65 HIS C C 65 174.833 173.735 1.098 1 1 702 . 10 1 1 A 65 65 HIS CA C 65 55.715 54.542 1.173 1 1 703 . 10 1 1 A 65 65 HIS CB C 65 35.813 34.803 1.010 1 1 706 . 10 1 1 A 65 65 HIS N N 65 115.096 114.322 0.774 1 1 707 . 10 1 1 A 66 66 ILE H H 66 8.675 8.679 -0.004 1 1 708 . 10 1 1 A 66 66 ILE HA H 66 4.320 4.367 -0.047 1 1 718 . 10 1 1 A 66 66 ILE C C 66 175.571 175.877 -0.306 1 1 719 . 10 1 1 A 66 66 ILE CA C 66 60.510 60.364 0.146 1 1 720 . 10 1 1 A 66 66 ILE CB C 66 41.360 40.591 0.769 1 1 724 . 10 1 1 A 66 66 ILE N N 66 119.474 119.370 0.104 1 1 725 . 10 1 1 A 67 67 ASN H H 67 10.170 9.771 0.399 1 1 726 . 10 1 1 A 67 67 ASN HA H 67 4.595 4.575 0.020 1 1 731 . 10 1 1 A 67 67 ASN C C 67 175.349 175.563 -0.214 1 1 732 . 10 1 1 A 67 67 ASN CA C 67 54.589 54.611 -0.022 1 1 733 . 10 1 1 A 67 67 ASN CB C 67 37.267 37.424 -0.157 1 1 734 . 10 1 1 A 67 67 ASN N N 67 129.216 127.823 1.393 1 1 736 . 10 1 1 A 68 68 GLY H H 68 9.396 8.704 0.692 1 1 737 . 10 1 1 A 68 68 GLY HA2 H 68 4.155 3.839 0.316 1 1 738 . 10 1 1 A 68 68 GLY HA3 H 68 3.585 3.844 -0.259 1 1 739 . 10 1 1 A 68 68 GLY C C 68 173.920 173.788 0.132 1 1 740 . 10 1 1 A 68 68 GLY CA C 68 45.267 45.815 -0.548 1 1 741 . 10 1 1 A 68 68 GLY N N 68 104.067 103.436 0.631 1 1 742 . 10 1 1 A 69 69 GLU H H 69 7.815 7.964 -0.149 1 1 743 . 10 1 1 A 69 69 GLU HA H 69 4.619 4.621 -0.002 1 1 748 . 10 1 1 A 69 69 GLU C C 69 175.696 175.547 0.149 1 1 749 . 10 1 1 A 69 69 GLU CA C 69 54.803 54.880 -0.077 1 1 750 . 10 1 1 A 69 69 GLU CB C 69 32.281 31.828 0.453 1 1 752 . 10 1 1 A 69 69 GLU N N 69 121.337 120.959 0.378 1 1 753 . 10 1 1 A 70 70 SER H H 70 8.867 8.916 -0.049 1 1 754 . 10 1 1 A 70 70 SER HA H 70 4.411 4.763 -0.352 1 1 757 . 10 1 1 A 70 70 SER C C 70 176.409 174.575 1.834 1 1 758 . 10 1 1 A 70 70 SER CA C 70 58.034 58.084 -0.050 1 1 759 . 10 1 1 A 70 70 SER CB C 70 63.432 63.148 0.284 1 1 760 . 10 1 1 A 70 70 SER N N 70 119.566 120.218 -0.652 1 1 761 . 10 1 1 A 71 71 THR H H 71 7.914 9.117 -1.203 1 1 762 . 10 1 1 A 71 71 THR HA H 71 4.162 4.405 -0.243 1 1 767 . 10 1 1 A 71 71 THR C C 71 175.433 175.576 -0.143 1 1 768 . 10 1 1 A 71 71 THR CA C 71 60.921 63.256 -2.335 1 1 769 . 10 1 1 A 71 71 THR CB C 71 68.671 69.045 -0.374 1 1 771 . 10 1 1 A 71 71 THR N N 71 114.514 120.415 -5.901 1 1 772 . 10 1 1 A 72 72 GLN H H 72 8.131 8.604 -0.473 1 1 773 . 10 1 1 A 72 72 GLN HA H 72 4.020 4.157 -0.137 1 1 780 . 10 1 1 A 72 72 GLN C C 72 176.950 176.742 0.208 1 1 781 . 10 1 1 A 72 72 GLN CA C 72 58.361 58.013 0.348 1 1 782 . 10 1 1 A 72 72 GLN CB C 72 28.079 28.280 -0.201 1 1 784 . 10 1 1 A 72 72 GLN N N 72 124.809 120.285 4.524 1 1 786 . 10 1 1 A 73 73 GLY H H 73 9.025 7.987 1.038 1 1 787 . 10 1 1 A 73 73 GLY HA2 H 73 4.092 4.004 0.088 1 1 788 . 10 1 1 A 73 73 GLY HA3 H 73 3.754 4.006 -0.252 1 1 789 . 10 1 1 A 73 73 GLY C C 73 173.971 173.156 0.815 1 1 790 . 10 1 1 A 73 73 GLY CA C 73 45.373 45.582 -0.209 1 1 791 . 10 1 1 A 73 73 GLY N N 73 114.015 106.784 7.231 1 1 792 . 10 1 1 A 74 74 LEU H H 74 7.672 7.295 0.377 1 1 793 . 10 1 1 A 74 74 LEU HA H 74 4.768 4.828 -0.060 1 1 803 . 10 1 1 A 74 74 LEU C C 74 179.964 177.144 2.820 1 1 804 . 10 1 1 A 74 74 LEU CA C 74 54.682 53.241 1.441 1 1 805 . 10 1 1 A 74 74 LEU CB C 74 42.355 44.289 -1.934 1 1 809 . 10 1 1 A 74 74 LEU N N 74 118.933 120.410 -1.477 1 1 810 . 10 1 1 A 75 75 THR H H 75 8.911 8.725 0.186 1 1 811 . 10 1 1 A 75 75 THR HA H 75 4.799 4.706 0.093 1 1 816 . 10 1 1 A 75 75 THR C C 75 174.971 175.402 -0.431 1 1 817 . 10 1 1 A 75 75 THR CA C 75 60.571 60.530 0.041 1 1 818 . 10 1 1 A 75 75 THR CB C 75 71.058 71.523 -0.465 1 1 820 . 10 1 1 A 75 75 THR N N 75 113.687 115.496 -1.809 1 1 821 . 10 1 1 A 76 76 HIS H H 76 9.474 9.170 0.304 1 1 822 . 10 1 1 A 76 76 HIS HA H 76 3.997 4.086 -0.089 1 1 826 . 10 1 1 A 76 76 HIS C C 76 176.917 176.662 0.255 1 1 827 . 10 1 1 A 76 76 HIS CA C 76 61.208 61.077 0.131 1 1 828 . 10 1 1 A 76 76 HIS CB C 76 29.729 30.386 -0.657 1 1 830 . 10 1 1 A 76 76 HIS N N 76 122.022 121.868 0.154 1 1 831 . 10 1 1 A 77 77 ALA H H 77 8.457 8.035 0.422 1 1 832 . 10 1 1 A 77 77 ALA HA H 77 3.946 3.812 0.134 1 1 836 . 10 1 1 A 77 77 ALA C C 77 181.502 179.835 1.667 1 1 837 . 10 1 1 A 77 77 ALA CA C 77 55.282 55.073 0.209 1 1 838 . 10 1 1 A 77 77 ALA CB C 77 18.162 18.240 -0.078 1 1 839 . 10 1 1 A 77 77 ALA N N 77 119.389 120.713 -1.324 1 1 840 . 10 1 1 A 78 78 GLN H H 78 7.991 8.285 -0.294 1 1 841 . 10 1 1 A 78 78 GLN HA H 78 4.029 3.950 0.079 1 1 848 . 10 1 1 A 78 78 GLN C C 78 179.215 178.166 1.049 1 1 849 . 10 1 1 A 78 78 GLN CA C 78 58.562 59.026 -0.464 1 1 850 . 10 1 1 A 78 78 GLN CB C 78 29.592 28.483 1.109 1 1 852 . 10 1 1 A 78 78 GLN N N 78 117.510 117.565 -0.055 1 1 854 . 10 1 1 A 79 79 ALA H H 79 8.367 8.046 0.321 1 1 855 . 10 1 1 A 79 79 ALA HA H 79 3.775 4.087 -0.312 1 1 859 . 10 1 1 A 79 79 ALA C C 79 178.754 179.700 -0.946 1 1 860 . 10 1 1 A 79 79 ALA CA C 79 55.828 55.235 0.593 1 1 861 . 10 1 1 A 79 79 ALA CB C 79 18.733 18.674 0.059 1 1 862 . 10 1 1 A 79 79 ALA N N 79 123.463 122.381 1.082 1 1 863 . 10 1 1 A 80 80 VAL H H 80 8.228 7.785 0.443 1 1 864 . 10 1 1 A 80 80 VAL HA H 80 3.510 3.409 0.101 1 1 872 . 10 1 1 A 80 80 VAL C C 80 179.087 178.059 1.028 1 1 873 . 10 1 1 A 80 80 VAL CA C 80 66.912 66.718 0.194 1 1 874 . 10 1 1 A 80 80 VAL CB C 80 31.781 31.211 0.570 1 1 877 . 10 1 1 A 80 80 VAL N N 80 116.720 118.075 -1.355 1 1 878 . 10 1 1 A 81 81 GLU H H 81 7.834 8.360 -0.526 1 1 879 . 10 1 1 A 81 81 GLU HA H 81 4.195 4.029 0.166 1 1 884 . 10 1 1 A 81 81 GLU C C 81 178.847 179.114 -0.267 1 1 885 . 10 1 1 A 81 81 GLU CA C 81 59.100 58.804 0.296 1 1 886 . 10 1 1 A 81 81 GLU CB C 81 28.818 28.988 -0.170 1 1 888 . 10 1 1 A 81 81 GLU N N 81 121.198 120.425 0.773 1 1 889 . 10 1 1 A 82 82 ARG H H 82 8.004 7.767 0.237 1 1 890 . 10 1 1 A 82 82 ARG HA H 82 4.021 4.138 -0.117 1 1 897 . 10 1 1 A 82 82 ARG C C 82 179.863 179.103 0.760 1 1 898 . 10 1 1 A 82 82 ARG CA C 82 58.487 58.616 -0.129 1 1 899 . 10 1 1 A 82 82 ARG CB C 82 29.026 29.762 -0.736 1 1 902 . 10 1 1 A 82 82 ARG N N 82 119.267 118.822 0.445 1 1 903 . 10 1 1 A 83 83 ILE H H 83 7.875 7.694 0.181 1 1 904 . 10 1 1 A 83 83 ILE HA H 83 3.467 3.710 -0.243 1 1 914 . 10 1 1 A 83 83 ILE C C 83 179.211 178.054 1.157 1 1 915 . 10 1 1 A 83 83 ILE CA C 83 65.491 65.022 0.469 1 1 916 . 10 1 1 A 83 83 ILE CB C 83 38.055 37.438 0.617 1 1 920 . 10 1 1 A 83 83 ILE N N 83 120.039 121.255 -1.216 1 1 921 . 10 1 1 A 84 84 ARG H H 84 8.207 8.110 0.097 1 1 922 . 10 1 1 A 84 84 ARG HA H 84 4.125 4.139 -0.014 1 1 929 . 10 1 1 A 84 84 ARG C C 84 179.062 177.344 1.718 1 1 930 . 10 1 1 A 84 84 ARG CA C 84 59.643 58.691 0.952 1 1 931 . 10 1 1 A 84 84 ARG CB C 84 30.197 30.181 0.016 1 1 934 . 10 1 1 A 84 84 ARG N N 84 121.315 120.399 0.916 1 1 935 . 10 1 1 A 85 85 ALA H H 85 8.366 7.565 0.801 1 1 936 . 10 1 1 A 85 85 ALA HA H 85 4.241 4.338 -0.097 1 1 940 . 10 1 1 A 85 85 ALA C C 85 179.042 179.034 0.008 1 1 941 . 10 1 1 A 85 85 ALA CA C 85 53.695 52.604 1.091 1 1 942 . 10 1 1 A 85 85 ALA CB C 85 18.806 19.125 -0.319 1 1 943 . 10 1 1 A 85 85 ALA N N 85 120.166 120.954 -0.788 1 1 944 . 10 1 1 A 86 86 GLY H H 86 7.470 8.170 -0.700 1 1 945 . 10 1 1 A 86 86 GLY HA2 H 86 4.134 3.906 0.228 1 1 946 . 10 1 1 A 86 86 GLY HA3 H 86 4.134 3.915 0.219 1 1 947 . 10 1 1 A 86 86 GLY C C 86 174.699 174.776 -0.077 1 1 948 . 10 1 1 A 86 86 GLY CA C 86 45.902 46.749 -0.847 1 1 949 . 10 1 1 A 86 86 GLY N N 86 104.067 107.201 -3.134 1 1 950 . 10 1 1 A 87 87 GLY H H 87 7.688 7.960 -0.272 1 1 951 . 10 1 1 A 87 87 GLY HA2 H 87 4.528 4.045 0.483 1 1 952 . 10 1 1 A 87 87 GLY HA3 H 87 3.835 4.046 -0.211 1 1 953 . 10 1 1 A 87 87 GLY C C 87 173.611 174.015 -0.404 1 1 954 . 10 1 1 A 87 87 GLY CA C 87 44.677 44.505 0.172 1 1 955 . 10 1 1 A 87 87 GLY N N 87 107.458 105.904 1.554 1 1 956 . 10 1 1 A 88 88 PRO HA H 88 4.306 4.521 -0.215 1 1 963 . 10 1 1 A 88 88 PRO C C 88 175.247 176.513 -1.266 1 1 964 . 10 1 1 A 88 88 PRO CA C 88 64.596 64.186 0.410 1 1 965 . 10 1 1 A 88 88 PRO CB C 88 32.405 32.071 0.334 1 1 968 . 10 1 1 A 89 89 GLN H H 89 7.606 8.162 -0.556 1 1 969 . 10 1 1 A 89 89 GLN HA H 89 5.343 4.898 0.445 1 1 976 . 10 1 1 A 89 89 GLN C C 89 173.750 174.319 -0.569 1 1 977 . 10 1 1 A 89 89 GLN CA C 89 54.626 54.692 -0.066 1 1 978 . 10 1 1 A 89 89 GLN CB C 89 31.870 31.437 0.433 1 1 980 . 10 1 1 A 89 89 GLN N N 89 116.964 118.857 -1.893 1 1 982 . 10 1 1 A 90 90 LEU H H 90 8.610 8.674 -0.064 1 1 983 . 10 1 1 A 90 90 LEU HA H 90 4.757 4.807 -0.050 1 1 993 . 10 1 1 A 90 90 LEU C C 90 173.607 175.395 -1.788 1 1 994 . 10 1 1 A 90 90 LEU CA C 90 53.730 53.661 0.069 1 1 995 . 10 1 1 A 90 90 LEU CB C 90 45.549 44.140 1.409 1 1 999 . 10 1 1 A 90 90 LEU N N 90 124.460 127.135 -2.675 1 1 1000 . 10 1 1 A 91 91 HIS H H 91 8.826 8.870 -0.044 1 1 1001 . 10 1 1 A 91 91 HIS HA H 91 5.207 5.548 -0.341 1 1 1006 . 10 1 1 A 91 91 HIS C C 91 174.745 173.199 1.546 1 1 1007 . 10 1 1 A 91 91 HIS CA C 91 55.093 54.655 0.438 1 1 1008 . 10 1 1 A 91 91 HIS CB C 91 32.686 32.606 0.080 1 1 1011 . 10 1 1 A 91 91 HIS N N 91 126.871 125.895 0.976 1 1 1012 . 10 1 1 A 92 92 LEU H H 92 9.024 8.530 0.494 1 1 1013 . 10 1 1 A 92 92 LEU HA H 92 5.203 4.911 0.292 1 1 1023 . 10 1 1 A 92 92 LEU C C 92 175.889 175.593 0.296 1 1 1024 . 10 1 1 A 92 92 LEU CA C 92 52.955 53.480 -0.525 1 1 1025 . 10 1 1 A 92 92 LEU CB C 92 46.233 44.954 1.279 1 1 1029 . 10 1 1 A 92 92 LEU N N 92 125.837 128.767 -2.930 1 1 1030 . 10 1 1 A 93 93 VAL H H 93 7.739 8.594 -0.855 1 1 1031 . 10 1 1 A 93 93 VAL HA H 93 4.568 4.645 -0.077 1 1 1039 . 10 1 1 A 93 93 VAL C C 93 174.538 174.962 -0.424 1 1 1040 . 10 1 1 A 93 93 VAL CA C 93 62.666 62.094 0.572 1 1 1041 . 10 1 1 A 93 93 VAL CB C 93 32.838 31.631 1.207 1 1 1044 . 10 1 1 A 93 93 VAL N N 93 120.566 125.549 -4.983 1 1 1045 . 10 1 1 A 94 94 ILE H H 94 8.965 8.867 0.098 1 1 1046 . 10 1 1 A 94 94 ILE HA H 94 5.152 4.791 0.361 1 1 1056 . 10 1 1 A 94 94 ILE C C 94 174.723 174.110 0.613 1 1 1057 . 10 1 1 A 94 94 ILE CA C 94 56.360 58.955 -2.595 1 1 1058 . 10 1 1 A 94 94 ILE CB C 94 39.214 40.828 -1.614 1 1 1062 . 10 1 1 A 94 94 ILE N N 94 128.952 127.337 1.615 1 1 1063 . 10 1 1 A 95 95 ARG H H 95 8.286 8.654 -0.368 1 1 1064 . 10 1 1 A 95 95 ARG HA H 95 4.715 4.781 -0.066 1 1 1071 . 10 1 1 A 95 95 ARG C C 95 173.665 175.044 -1.379 1 1 1072 . 10 1 1 A 95 95 ARG CA C 95 54.982 54.297 0.685 1 1 1073 . 10 1 1 A 95 95 ARG CB C 95 34.833 33.389 1.444 1 1 1076 . 10 1 1 A 95 95 ARG N N 95 120.920 125.829 -4.909 1 1 1077 . 10 1 1 A 96 96 ARG H H 96 9.238 8.867 0.371 1 1 1078 . 10 1 1 A 96 96 ARG HA H 96 4.984 4.509 0.475 1 1 1086 . 10 1 1 A 96 96 ARG C C 96 174.582 175.103 -0.521 1 1 1087 . 10 1 1 A 96 96 ARG CA C 96 53.219 54.172 -0.953 1 1 1088 . 10 1 1 A 96 96 ARG CB C 96 31.369 31.137 0.232 1 1 1091 . 10 1 1 A 96 96 ARG N N 96 129.955 128.679 1.276 1 1 1093 . 10 1 1 A 97 97 PRO HA H 97 4.424 4.602 -0.178 1 1 1100 . 10 1 1 A 97 97 PRO C C 97 176.289 175.731 0.558 1 1 1101 . 10 1 1 A 97 97 PRO CA C 97 63.322 62.202 1.120 1 1 1102 . 10 1 1 A 97 97 PRO CB C 97 32.240 33.033 -0.793 1 1 1105 . 10 1 1 A 98 98 LEU H H 98 8.325 8.478 -0.153 1 1 1106 . 10 1 1 A 98 98 LEU HA H 98 4.399 4.690 -0.291 1 1 1116 . 10 1 1 A 98 98 LEU C C 98 177.395 175.917 1.478 1 1 1117 . 10 1 1 A 98 98 LEU CA C 98 55.165 53.937 1.228 1 1 1118 . 10 1 1 A 98 98 LEU CB C 98 42.419 43.383 -0.964 1 1 1122 . 10 1 1 A 98 98 LEU N N 98 122.396 122.353 0.043 1 1 1123 . 10 1 1 A 99 99 SER H H 99 8.333 8.707 -0.374 1 1 1124 . 10 1 1 A 99 99 SER HA H 99 4.483 4.911 -0.428 1 1 1127 . 10 1 1 A 99 99 SER C C 99 174.489 172.662 1.827 1 1 1128 . 10 1 1 A 99 99 SER CA C 99 58.138 57.328 0.810 1 1 1129 . 10 1 1 A 99 99 SER CB C 99 63.846 66.384 -2.538 1 1 1130 . 10 1 1 A 99 99 SER N N 99 116.892 115.143 1.749 1 1 1131 . 10 1 1 A 100 100 GLY H H 100 8.253 8.357 -0.104 1 1 1132 . 10 1 1 A 100 100 GLY HA2 H 100 4.177 4.264 -0.087 1 1 1133 . 10 1 1 A 100 100 GLY HA3 H 100 4.101 4.264 -0.163 1 1 1134 . 10 1 1 A 100 100 GLY C C 100 171.838 171.945 -0.107 1 1 1135 . 10 1 1 A 100 100 GLY CA C 100 44.679 44.772 -0.093 1 1 1136 . 10 1 1 A 100 100 GLY N N 100 110.703 107.235 3.468 1 1 1137 . 10 1 1 A 101 101 PRO HA H 101 4.480 4.552 -0.072 1 1 1144 . 10 1 1 A 101 101 PRO C C 101 177.411 176.476 0.935 1 1 1145 . 10 1 1 A 101 101 PRO CA C 101 63.312 62.419 0.893 1 1 1146 . 10 1 1 A 101 101 PRO CB C 101 32.158 32.639 -0.481 1 1 1149 . 10 1 1 A 102 102 SER H H 102 8.517 8.548 -0.031 1 1 1150 . 10 1 1 A 102 102 SER C C 102 174.655 173.861 0.794 1 1 1151 . 10 1 1 A 102 102 SER CA C 102 58.438 57.130 1.308 1 1 1152 . 10 1 1 A 102 102 SER CB C 102 63.970 65.442 -1.472 1 1 1 . 11 1 1 A 2 2 SER HA H 2 4.493 5.066 -0.573 1 1 4 . 11 1 1 A 2 2 SER C C 2 174.671 173.184 1.487 1 1 5 . 11 1 1 A 2 2 SER CA C 2 58.438 56.241 2.197 1 1 6 . 11 1 1 A 2 2 SER CB C 2 63.558 64.963 -1.405 1 1 7 . 11 1 1 A 3 3 SER H H 3 8.324 8.651 -0.327 1 1 8 . 11 1 1 A 3 3 SER HA H 3 4.493 4.502 -0.009 1 1 11 . 11 1 1 A 3 3 SER C C 3 173.918 173.648 0.270 1 1 12 . 11 1 1 A 3 3 SER CA C 3 58.455 57.159 1.296 1 1 13 . 11 1 1 A 3 3 SER CB C 3 63.929 63.423 0.506 1 1 14 . 11 1 1 A 3 3 SER N N 3 117.862 119.353 -1.491 1 1 15 . 11 1 1 A 4 4 GLY H H 4 8.045 8.714 -0.669 1 1 16 . 11 1 1 A 4 4 GLY C C 4 179.001 173.094 5.907 1 1 17 . 11 1 1 A 4 4 GLY CA C 4 46.201 46.078 0.123 1 1 18 . 11 1 1 A 4 4 GLY N N 4 116.862 115.371 1.491 1 1 19 . 11 1 1 A 6 6 SER HA H 6 4.461 4.820 -0.359 1 1 22 . 11 1 1 A 6 6 SER C C 6 175.170 173.493 1.677 1 1 23 . 11 1 1 A 6 6 SER CA C 6 58.755 57.009 1.746 1 1 24 . 11 1 1 A 6 6 SER CB C 6 63.862 66.451 -2.589 1 1 25 . 11 1 1 A 7 7 GLY H H 7 8.432 8.612 -0.180 1 1 26 . 11 1 1 A 7 7 GLY HA2 H 7 3.966 4.098 -0.132 1 1 27 . 11 1 1 A 7 7 GLY C C 7 174.309 174.640 -0.331 1 1 28 . 11 1 1 A 7 7 GLY CA C 7 45.408 44.475 0.933 1 1 29 . 11 1 1 A 7 7 GLY N N 7 110.678 114.661 -3.983 1 1 30 . 11 1 1 A 8 8 GLN H H 8 8.210 8.800 -0.590 1 1 31 . 11 1 1 A 8 8 GLN HA H 8 4.324 3.851 0.473 1 1 38 . 11 1 1 A 8 8 GLN C C 8 176.037 175.453 0.584 1 1 39 . 11 1 1 A 8 8 GLN CA C 8 55.970 56.678 -0.708 1 1 40 . 11 1 1 A 8 8 GLN CB C 8 29.562 25.946 3.616 1 1 42 . 11 1 1 A 8 8 GLN N N 8 119.977 117.276 2.701 1 1 44 . 11 1 1 A 9 9 ALA H H 9 8.394 8.051 0.343 1 1 45 . 11 1 1 A 9 9 ALA HA H 9 4.319 4.530 -0.211 1 1 49 . 11 1 1 A 9 9 ALA C C 9 177.635 177.009 0.626 1 1 50 . 11 1 1 A 9 9 ALA CA C 9 52.531 51.273 1.258 1 1 51 . 11 1 1 A 9 9 ALA CB C 9 19.136 18.810 0.326 1 1 52 . 11 1 1 A 9 9 ALA N N 9 125.301 120.232 5.069 1 1 53 . 11 1 1 A 10 10 SER H H 10 8.259 7.687 0.572 1 1 54 . 11 1 1 A 10 10 SER HA H 10 4.440 4.218 0.222 1 1 57 . 11 1 1 A 10 10 SER C C 10 175.138 175.543 -0.405 1 1 58 . 11 1 1 A 10 10 SER CA C 10 58.649 60.499 -1.850 1 1 59 . 11 1 1 A 10 10 SER CB C 10 63.888 62.455 1.433 1 1 60 . 11 1 1 A 10 10 SER N N 10 114.874 115.359 -0.485 1 1 61 . 11 1 1 A 11 11 GLY H H 11 8.493 8.821 -0.328 1 1 62 . 11 1 1 A 11 11 GLY HA2 H 11 4.039 3.874 0.165 1 1 63 . 11 1 1 A 11 11 GLY HA3 H 11 4.039 3.995 0.044 1 1 64 . 11 1 1 A 11 11 GLY C C 11 173.678 174.164 -0.486 1 1 65 . 11 1 1 A 11 11 GLY CA C 11 45.531 45.434 0.097 1 1 66 . 11 1 1 A 11 11 GLY N N 11 110.301 113.561 -3.260 1 1 67 . 11 1 1 A 12 12 HIS H H 12 7.970 7.632 0.338 1 1 68 . 11 1 1 A 12 12 HIS HA H 12 5.442 4.521 0.921 1 1 73 . 11 1 1 A 12 12 HIS C C 12 175.304 175.285 0.019 1 1 74 . 11 1 1 A 12 12 HIS CA C 12 55.095 56.324 -1.229 1 1 75 . 11 1 1 A 12 12 HIS CB C 12 31.849 30.530 1.319 1 1 78 . 11 1 1 A 12 12 HIS N N 12 119.432 118.968 0.464 1 1 79 . 11 1 1 A 13 13 PHE H H 13 8.940 8.648 0.292 1 1 80 . 11 1 1 A 13 13 PHE HA H 13 5.072 5.586 -0.514 1 1 88 . 11 1 1 A 13 13 PHE C C 13 172.688 173.518 -0.830 1 1 89 . 11 1 1 A 13 13 PHE CA C 13 56.269 55.196 1.073 1 1 90 . 11 1 1 A 13 13 PHE CB C 13 40.835 42.202 -1.367 1 1 96 . 11 1 1 A 13 13 PHE N N 13 118.413 121.207 -2.794 1 1 97 . 11 1 1 A 14 14 SER H H 14 8.709 8.999 -0.290 1 1 98 . 11 1 1 A 14 14 SER HA H 14 5.580 5.453 0.127 1 1 101 . 11 1 1 A 14 14 SER C C 14 174.119 174.085 0.034 1 1 102 . 11 1 1 A 14 14 SER CA C 14 56.974 55.499 1.475 1 1 103 . 11 1 1 A 14 14 SER CB C 14 65.778 66.163 -0.385 1 1 104 . 11 1 1 A 14 14 SER N N 14 115.082 114.008 1.074 1 1 105 . 11 1 1 A 15 15 VAL H H 15 8.801 8.408 0.393 1 1 106 . 11 1 1 A 15 15 VAL HA H 15 4.373 4.810 -0.437 1 1 114 . 11 1 1 A 15 15 VAL C C 15 173.002 174.882 -1.880 1 1 115 . 11 1 1 A 15 15 VAL CA C 15 61.312 61.163 0.149 1 1 116 . 11 1 1 A 15 15 VAL CB C 15 36.461 34.664 1.797 1 1 119 . 11 1 1 A 15 15 VAL N N 15 121.148 121.412 -0.264 1 1 120 . 11 1 1 A 16 16 GLU H H 16 8.383 9.049 -0.666 1 1 121 . 11 1 1 A 16 16 GLU HA H 16 5.299 5.280 0.019 1 1 126 . 11 1 1 A 16 16 GLU C C 16 175.408 175.678 -0.270 1 1 127 . 11 1 1 A 16 16 GLU CA C 16 54.594 55.082 -0.488 1 1 128 . 11 1 1 A 16 16 GLU CB C 16 31.993 31.677 0.316 1 1 130 . 11 1 1 A 16 16 GLU N N 16 125.925 126.645 -0.720 1 1 131 . 11 1 1 A 17 17 LEU H H 17 9.172 8.682 0.490 1 1 132 . 11 1 1 A 17 17 LEU HA H 17 5.000 5.203 -0.203 1 1 142 . 11 1 1 A 17 17 LEU C C 17 175.596 175.624 -0.028 1 1 143 . 11 1 1 A 17 17 LEU CA C 17 52.919 53.504 -0.585 1 1 144 . 11 1 1 A 17 17 LEU CB C 17 47.317 46.137 1.180 1 1 148 . 11 1 1 A 17 17 LEU N N 17 122.761 125.782 -3.021 1 1 149 . 11 1 1 A 18 18 VAL H H 18 8.546 8.919 -0.373 1 1 150 . 11 1 1 A 18 18 VAL HA H 18 4.831 4.663 0.168 1 1 158 . 11 1 1 A 18 18 VAL C C 18 175.783 176.161 -0.378 1 1 159 . 11 1 1 A 18 18 VAL CA C 18 61.277 61.402 -0.125 1 1 160 . 11 1 1 A 18 18 VAL CB C 18 33.600 32.873 0.727 1 1 163 . 11 1 1 A 18 18 VAL N N 18 122.523 124.294 -1.771 1 1 164 . 11 1 1 A 19 19 ARG H H 19 8.495 8.114 0.381 1 1 165 . 11 1 1 A 19 19 ARG HA H 19 2.868 3.032 -0.164 1 1 172 . 11 1 1 A 19 19 ARG C C 19 176.248 175.592 0.656 1 1 173 . 11 1 1 A 19 19 ARG CA C 19 58.138 57.044 1.094 1 1 174 . 11 1 1 A 19 19 ARG CB C 19 30.839 30.463 0.376 1 1 177 . 11 1 1 A 19 19 ARG N N 19 127.015 128.450 -1.435 1 1 178 . 11 1 1 A 20 20 GLY H H 20 7.244 8.259 -1.015 1 1 179 . 11 1 1 A 20 20 GLY HA2 H 20 4.504 4.031 0.473 1 1 180 . 11 1 1 A 20 20 GLY HA3 H 20 3.750 4.047 -0.297 1 1 181 . 11 1 1 A 20 20 GLY C C 20 175.286 172.394 2.892 1 1 182 . 11 1 1 A 20 20 GLY CA C 20 44.131 44.193 -0.062 1 1 183 . 11 1 1 A 20 20 GLY N N 20 112.266 112.851 -0.585 1 1 184 . 11 1 1 A 21 21 TYR HA H 21 4.219 4.427 -0.208 1 1 191 . 11 1 1 A 21 21 TYR C C 21 176.309 175.952 0.357 1 1 192 . 11 1 1 A 21 21 TYR CA C 21 60.518 58.853 1.665 1 1 193 . 11 1 1 A 21 21 TYR CB C 21 37.826 38.683 -0.857 1 1 198 . 11 1 1 A 22 22 ALA H H 22 8.272 8.862 -0.590 1 1 199 . 11 1 1 A 22 22 ALA HA H 22 4.404 3.731 0.673 1 1 203 . 11 1 1 A 22 22 ALA C C 22 177.312 177.131 0.181 1 1 204 . 11 1 1 A 22 22 ALA CA C 22 50.816 52.815 -1.999 1 1 205 . 11 1 1 A 22 22 ALA CB C 22 18.455 17.503 0.952 1 1 206 . 11 1 1 A 22 22 ALA N N 22 121.539 127.429 -5.890 1 1 207 . 11 1 1 A 23 23 GLY H H 23 7.495 8.159 -0.664 1 1 208 . 11 1 1 A 23 23 GLY HA2 H 23 4.541 3.737 0.804 1 1 209 . 11 1 1 A 23 23 GLY HA3 H 23 3.238 3.853 -0.615 1 1 210 . 11 1 1 A 23 23 GLY C C 23 175.043 175.183 -0.140 1 1 211 . 11 1 1 A 23 23 GLY CA C 23 44.897 45.381 -0.484 1 1 212 . 11 1 1 A 23 23 GLY N N 23 106.744 103.117 3.627 1 1 213 . 11 1 1 A 24 24 PHE H H 24 7.242 8.709 -1.467 1 1 214 . 11 1 1 A 24 24 PHE HA H 24 4.369 4.518 -0.149 1 1 222 . 11 1 1 A 24 24 PHE C C 24 175.902 175.987 -0.085 1 1 223 . 11 1 1 A 24 24 PHE CA C 24 60.347 58.462 1.885 1 1 224 . 11 1 1 A 24 24 PHE CB C 24 39.575 39.427 0.148 1 1 230 . 11 1 1 A 25 25 GLY H H 25 8.820 8.514 0.306 1 1 231 . 11 1 1 A 25 25 GLY HA2 H 25 4.134 3.985 0.149 1 1 232 . 11 1 1 A 25 25 GLY HA3 H 25 3.913 4.000 -0.087 1 1 233 . 11 1 1 A 25 25 GLY C C 25 174.585 174.507 0.078 1 1 234 . 11 1 1 A 25 25 GLY CA C 25 47.030 46.504 0.526 1 1 235 . 11 1 1 A 25 25 GLY N N 25 107.899 109.452 -1.553 1 1 236 . 11 1 1 A 26 26 LEU H H 26 7.991 7.793 0.198 1 1 237 . 11 1 1 A 26 26 LEU HA H 26 4.990 4.817 0.173 1 1 247 . 11 1 1 A 26 26 LEU C C 26 174.135 175.194 -1.059 1 1 248 . 11 1 1 A 26 26 LEU CA C 26 53.906 53.662 0.244 1 1 249 . 11 1 1 A 26 26 LEU CB C 26 45.939 44.434 1.505 1 1 253 . 11 1 1 A 26 26 LEU N N 26 122.133 122.623 -0.490 1 1 254 . 11 1 1 A 27 27 THR H H 27 8.657 8.759 -0.102 1 1 255 . 11 1 1 A 27 27 THR HA H 27 4.662 5.140 -0.478 1 1 260 . 11 1 1 A 27 27 THR C C 27 174.074 173.328 0.746 1 1 261 . 11 1 1 A 27 27 THR CA C 27 61.382 61.546 -0.164 1 1 262 . 11 1 1 A 27 27 THR CB C 27 70.010 71.335 -1.325 1 1 264 . 11 1 1 A 27 27 THR N N 27 121.262 121.887 -0.625 1 1 265 . 11 1 1 A 28 28 LEU H H 28 9.692 9.070 0.622 1 1 266 . 11 1 1 A 28 28 LEU HA H 28 5.297 5.110 0.187 1 1 276 . 11 1 1 A 28 28 LEU C C 28 175.414 175.759 -0.345 1 1 277 . 11 1 1 A 28 28 LEU CA C 28 53.219 53.064 0.155 1 1 278 . 11 1 1 A 28 28 LEU CB C 28 45.049 44.390 0.659 1 1 282 . 11 1 1 A 28 28 LEU N N 28 128.374 126.015 2.359 1 1 283 . 11 1 1 A 29 29 GLY H H 29 8.818 8.590 0.228 1 1 284 . 11 1 1 A 29 29 GLY HA2 H 29 4.089 4.096 -0.007 1 1 285 . 11 1 1 A 29 29 GLY HA3 H 29 3.664 4.153 -0.489 1 1 286 . 11 1 1 A 29 29 GLY C C 29 171.700 174.267 -2.567 1 1 287 . 11 1 1 A 29 29 GLY CA C 29 44.086 44.665 -0.579 1 1 288 . 11 1 1 A 29 29 GLY N N 29 106.574 112.604 -6.030 1 1 289 . 11 1 1 A 30 30 GLY H H 30 8.339 8.123 0.216 1 1 290 . 11 1 1 A 30 30 GLY HA2 H 30 4.434 4.071 0.363 1 1 291 . 11 1 1 A 30 30 GLY HA3 H 30 3.554 4.080 -0.526 1 1 292 . 11 1 1 A 30 30 GLY C C 30 174.290 173.676 0.614 1 1 293 . 11 1 1 A 30 30 GLY CA C 30 44.879 44.244 0.635 1 1 294 . 11 1 1 A 30 30 GLY N N 30 107.245 111.756 -4.511 1 1 295 . 11 1 1 A 31 31 GLY H H 31 7.292 8.489 -1.197 1 1 296 . 11 1 1 A 31 31 GLY HA2 H 31 4.439 4.077 0.362 1 1 297 . 11 1 1 A 31 31 GLY HA3 H 31 4.000 4.091 -0.091 1 1 298 . 11 1 1 A 31 31 GLY C C 31 174.513 173.518 0.995 1 1 299 . 11 1 1 A 31 31 GLY CA C 31 43.589 44.667 -1.078 1 1 300 . 11 1 1 A 31 31 GLY N N 31 107.984 108.453 -0.469 1 1 301 . 11 1 1 A 32 32 ARG H H 32 8.065 8.296 -0.231 1 1 302 . 11 1 1 A 32 32 ARG HA H 32 4.380 4.362 0.018 1 1 309 . 11 1 1 A 32 32 ARG C C 32 176.139 174.443 1.696 1 1 310 . 11 1 1 A 32 32 ARG CA C 32 57.354 56.459 0.895 1 1 311 . 11 1 1 A 32 32 ARG CB C 32 30.080 30.893 -0.813 1 1 314 . 11 1 1 A 32 32 ARG N N 32 121.733 120.949 0.784 1 1 315 . 11 1 1 A 33 33 ASP H H 33 8.916 8.519 0.397 1 1 316 . 11 1 1 A 33 33 ASP HA H 33 4.799 5.104 -0.305 1 1 319 . 11 1 1 A 33 33 ASP C C 33 176.381 176.241 0.140 1 1 320 . 11 1 1 A 33 33 ASP CA C 33 53.783 52.329 1.454 1 1 321 . 11 1 1 A 33 33 ASP CB C 33 43.712 43.596 0.116 1 1 322 . 11 1 1 A 33 33 ASP N N 33 126.313 126.628 -0.315 1 1 323 . 11 1 1 A 34 34 VAL H H 34 8.372 8.992 -0.620 1 1 324 . 11 1 1 A 34 34 VAL HA H 34 3.943 3.673 0.270 1 1 329 . 11 1 1 A 34 34 VAL C C 34 176.591 177.547 -0.956 1 1 330 . 11 1 1 A 34 34 VAL CA C 34 64.644 66.223 -1.579 1 1 331 . 11 1 1 A 34 34 VAL CB C 34 31.796 31.861 -0.065 1 1 333 . 11 1 1 A 34 34 VAL N N 34 121.465 124.330 -2.865 1 1 334 . 11 1 1 A 35 35 ALA H H 35 8.577 7.157 1.420 1 1 335 . 11 1 1 A 35 35 ALA HA H 35 4.386 4.317 0.069 1 1 339 . 11 1 1 A 35 35 ALA C C 35 177.532 176.584 0.948 1 1 340 . 11 1 1 A 35 35 ALA CA C 35 52.589 51.722 0.867 1 1 341 . 11 1 1 A 35 35 ALA CB C 35 19.095 18.873 0.222 1 1 342 . 11 1 1 A 35 35 ALA N N 35 123.222 120.184 3.038 1 1 343 . 11 1 1 A 36 36 GLY H H 36 7.816 7.033 0.783 1 1 344 . 11 1 1 A 36 36 GLY HA2 H 36 4.274 4.015 0.259 1 1 345 . 11 1 1 A 36 36 GLY HA3 H 36 3.723 4.017 -0.294 1 1 346 . 11 1 1 A 36 36 GLY C C 36 172.610 171.215 1.395 1 1 347 . 11 1 1 A 36 36 GLY CA C 36 45.161 44.344 0.817 1 1 348 . 11 1 1 A 36 36 GLY N N 36 107.925 106.596 1.329 1 1 349 . 11 1 1 A 37 37 ASP H H 37 8.604 8.573 0.031 1 1 350 . 11 1 1 A 37 37 ASP HA H 37 4.810 5.638 -0.828 1 1 353 . 11 1 1 A 37 37 ASP C C 37 176.081 174.353 1.728 1 1 354 . 11 1 1 A 37 37 ASP CA C 37 54.700 52.791 1.909 1 1 355 . 11 1 1 A 37 37 ASP CB C 37 41.076 44.687 -3.611 1 1 356 . 11 1 1 A 37 37 ASP N N 37 124.969 120.348 4.621 1 1 357 . 11 1 1 A 38 38 THR H H 38 7.679 8.730 -1.051 1 1 358 . 11 1 1 A 38 38 THR HA H 38 4.704 4.912 -0.208 1 1 363 . 11 1 1 A 38 38 THR C C 38 172.712 171.297 1.415 1 1 364 . 11 1 1 A 38 38 THR CA C 38 59.810 58.443 1.367 1 1 365 . 11 1 1 A 38 38 THR CB C 38 70.420 70.657 -0.237 1 1 367 . 11 1 1 A 38 38 THR N N 38 116.498 113.765 2.733 1 1 368 . 11 1 1 A 39 39 PRO HA H 39 4.305 4.669 -0.364 1 1 375 . 11 1 1 A 39 39 PRO C C 39 176.355 176.986 -0.631 1 1 376 . 11 1 1 A 39 39 PRO CA C 39 63.304 62.667 0.637 1 1 377 . 11 1 1 A 39 39 PRO CB C 39 32.703 31.656 1.047 1 1 380 . 11 1 1 A 40 40 LEU H H 40 8.247 8.154 0.093 1 1 381 . 11 1 1 A 40 40 LEU HA H 40 4.704 4.300 0.404 1 1 391 . 11 1 1 A 40 40 LEU C C 40 176.631 177.290 -0.659 1 1 392 . 11 1 1 A 40 40 LEU CA C 40 55.352 55.277 0.075 1 1 393 . 11 1 1 A 40 40 LEU CB C 40 42.524 42.578 -0.054 1 1 397 . 11 1 1 A 40 40 LEU N N 40 125.558 124.088 1.470 1 1 398 . 11 1 1 A 41 41 ALA H H 41 8.856 8.708 0.148 1 1 399 . 11 1 1 A 41 41 ALA HA H 41 5.465 5.068 0.397 1 1 403 . 11 1 1 A 41 41 ALA C C 41 176.658 176.332 0.326 1 1 404 . 11 1 1 A 41 41 ALA CA C 41 50.503 51.771 -1.268 1 1 405 . 11 1 1 A 41 41 ALA CB C 41 24.074 22.738 1.336 1 1 406 . 11 1 1 A 41 41 ALA N N 41 128.426 125.397 3.029 1 1 407 . 11 1 1 A 42 42 VAL H H 42 9.160 8.444 0.716 1 1 408 . 11 1 1 A 42 42 VAL HA H 42 3.803 4.079 -0.276 1 1 416 . 11 1 1 A 42 42 VAL C C 42 176.499 175.707 0.792 1 1 417 . 11 1 1 A 42 42 VAL CA C 42 64.196 63.673 0.523 1 1 418 . 11 1 1 A 42 42 VAL CB C 42 31.773 32.099 -0.326 1 1 421 . 11 1 1 A 42 42 VAL N N 42 119.342 123.147 -3.805 1 1 422 . 11 1 1 A 43 43 ARG H H 43 9.385 9.360 0.025 1 1 423 . 11 1 1 A 43 43 ARG HA H 43 4.527 4.436 0.091 1 1 430 . 11 1 1 A 43 43 ARG C C 43 175.332 175.769 -0.437 1 1 431 . 11 1 1 A 43 43 ARG CA C 43 55.340 57.102 -1.762 1 1 432 . 11 1 1 A 43 43 ARG CB C 43 32.242 32.047 0.195 1 1 435 . 11 1 1 A 43 43 ARG N N 43 131.043 128.343 2.700 1 1 436 . 11 1 1 A 44 44 GLY H H 44 7.872 7.886 -0.014 1 1 437 . 11 1 1 A 44 44 GLY HA2 H 44 4.155 4.185 -0.030 1 1 438 . 11 1 1 A 44 44 GLY HA3 H 44 3.765 4.186 -0.421 1 1 439 . 11 1 1 A 44 44 GLY C C 44 170.284 171.713 -1.429 1 1 440 . 11 1 1 A 44 44 GLY CA C 44 45.602 44.029 1.573 1 1 441 . 11 1 1 A 44 44 GLY N N 44 107.517 107.555 -0.038 1 1 442 . 11 1 1 A 45 45 LEU H H 45 8.455 9.556 -1.101 1 1 443 . 11 1 1 A 45 45 LEU HA H 45 4.915 5.089 -0.174 1 1 453 . 11 1 1 A 45 45 LEU C C 45 175.215 176.736 -1.521 1 1 454 . 11 1 1 A 45 45 LEU CA C 45 52.795 53.275 -0.480 1 1 455 . 11 1 1 A 45 45 LEU CB C 45 44.824 43.743 1.081 1 1 459 . 11 1 1 A 45 45 LEU N N 45 121.812 124.250 -2.438 1 1 460 . 11 1 1 A 46 46 LEU H H 46 7.582 8.681 -1.099 1 1 461 . 11 1 1 A 46 46 LEU HA H 46 4.208 4.372 -0.164 1 1 471 . 11 1 1 A 46 46 LEU C C 46 177.935 176.726 1.209 1 1 472 . 11 1 1 A 46 46 LEU CA C 46 54.984 56.028 -1.044 1 1 473 . 11 1 1 A 46 46 LEU CB C 46 42.815 42.518 0.297 1 1 477 . 11 1 1 A 46 46 LEU N N 46 124.670 128.537 -3.867 1 1 478 . 11 1 1 A 47 47 LYS H H 47 8.959 8.680 0.279 1 1 479 . 11 1 1 A 47 47 LYS HA H 47 3.875 3.891 -0.016 1 1 488 . 11 1 1 A 47 47 LYS C C 47 176.699 177.013 -0.314 1 1 489 . 11 1 1 A 47 47 LYS CA C 47 58.861 58.040 0.821 1 1 490 . 11 1 1 A 47 47 LYS CB C 47 32.076 32.166 -0.090 1 1 494 . 11 1 1 A 47 47 LYS N N 47 129.726 126.764 2.962 1 1 495 . 11 1 1 A 48 48 ASP H H 48 8.845 9.177 -0.332 1 1 496 . 11 1 1 A 48 48 ASP HA H 48 4.395 4.197 0.198 1 1 499 . 11 1 1 A 48 48 ASP C C 48 175.442 175.562 -0.120 1 1 500 . 11 1 1 A 48 48 ASP CA C 48 56.632 55.394 1.238 1 1 501 . 11 1 1 A 48 48 ASP CB C 48 39.740 39.502 0.238 1 1 502 . 11 1 1 A 48 48 ASP N N 48 119.883 120.808 -0.925 1 1 503 . 11 1 1 A 49 49 GLY H H 49 7.947 7.936 0.011 1 1 504 . 11 1 1 A 49 49 GLY HA2 H 49 4.578 4.138 0.440 1 1 505 . 11 1 1 A 49 49 GLY HA3 H 49 3.748 4.150 -0.402 1 1 506 . 11 1 1 A 49 49 GLY C C 49 172.008 174.693 -2.685 1 1 507 . 11 1 1 A 49 49 GLY CA C 49 45.000 44.004 0.996 1 1 508 . 11 1 1 A 49 49 GLY N N 49 106.565 106.183 0.382 1 1 509 . 11 1 1 A 50 50 PRO HA H 50 4.268 4.415 -0.147 1 1 516 . 11 1 1 A 50 50 PRO C C 50 179.273 178.926 0.347 1 1 517 . 11 1 1 A 50 50 PRO CA C 50 65.791 65.130 0.661 1 1 518 . 11 1 1 A 50 50 PRO CB C 50 32.532 32.085 0.447 1 1 521 . 11 1 1 A 51 51 ALA H H 51 7.805 8.199 -0.394 1 1 522 . 11 1 1 A 51 51 ALA HA H 51 4.167 4.123 0.044 1 1 526 . 11 1 1 A 51 51 ALA C C 51 178.947 180.011 -1.064 1 1 527 . 11 1 1 A 51 51 ALA CA C 51 55.079 55.222 -0.143 1 1 528 . 11 1 1 A 51 51 ALA CB C 51 18.988 18.398 0.590 1 1 529 . 11 1 1 A 51 51 ALA N N 51 119.037 119.346 -0.309 1 1 530 . 11 1 1 A 52 52 GLN H H 52 9.614 8.027 1.587 1 1 531 . 11 1 1 A 52 52 GLN HA H 52 3.969 3.991 -0.022 1 1 538 . 11 1 1 A 52 52 GLN C C 52 178.509 178.317 0.192 1 1 539 . 11 1 1 A 52 52 GLN CA C 52 59.529 58.956 0.573 1 1 540 . 11 1 1 A 52 52 GLN CB C 52 29.107 28.407 0.700 1 1 542 . 11 1 1 A 52 52 GLN N N 52 122.017 118.077 3.940 1 1 544 . 11 1 1 A 53 53 ARG H H 53 8.524 8.154 0.370 1 1 545 . 11 1 1 A 53 53 ARG HA H 53 3.996 4.017 -0.021 1 1 552 . 11 1 1 A 53 53 ARG C C 53 178.479 179.119 -0.640 1 1 553 . 11 1 1 A 53 53 ARG CA C 53 58.825 59.576 -0.751 1 1 554 . 11 1 1 A 53 53 ARG CB C 53 30.546 30.101 0.445 1 1 557 . 11 1 1 A 53 53 ARG N N 53 116.703 118.497 -1.794 1 1 558 . 11 1 1 A 54 54 CYS H H 54 7.589 7.702 -0.113 1 1 559 . 11 1 1 A 54 54 CYS HA H 54 4.641 4.359 0.282 1 1 562 . 11 1 1 A 54 54 CYS C C 54 175.840 175.289 0.551 1 1 563 . 11 1 1 A 54 54 CYS CA C 54 59.724 60.615 -0.891 1 1 564 . 11 1 1 A 54 54 CYS CB C 54 27.419 27.836 -0.417 1 1 565 . 11 1 1 A 54 54 CYS N N 54 113.424 117.883 -4.459 1 1 566 . 11 1 1 A 55 55 GLY H H 55 7.436 7.415 0.021 1 1 567 . 11 1 1 A 55 55 GLY HA2 H 55 4.082 3.956 0.126 1 1 568 . 11 1 1 A 55 55 GLY HA3 H 55 4.082 3.965 0.117 1 1 569 . 11 1 1 A 55 55 GLY C C 55 174.435 175.683 -1.248 1 1 570 . 11 1 1 A 55 55 GLY CA C 55 46.977 45.376 1.601 1 1 571 . 11 1 1 A 55 55 GLY N N 55 109.572 108.581 0.991 1 1 572 . 11 1 1 A 56 56 ARG H H 56 7.860 8.279 -0.419 1 1 573 . 11 1 1 A 56 56 ARG HA H 56 4.472 4.038 0.434 1 1 580 . 11 1 1 A 56 56 ARG C C 56 174.959 176.288 -1.329 1 1 581 . 11 1 1 A 56 56 ARG CA C 56 55.687 58.702 -3.015 1 1 582 . 11 1 1 A 56 56 ARG CB C 56 32.785 30.388 2.397 1 1 585 . 11 1 1 A 56 56 ARG N N 56 118.137 119.342 -1.205 1 1 586 . 11 1 1 A 57 57 LEU H H 57 8.219 7.940 0.279 1 1 587 . 11 1 1 A 57 57 LEU HA H 57 4.926 4.882 0.044 1 1 597 . 11 1 1 A 57 57 LEU C C 57 175.333 175.643 -0.310 1 1 598 . 11 1 1 A 57 57 LEU CA C 57 53.043 53.389 -0.346 1 1 599 . 11 1 1 A 57 57 LEU CB C 57 46.459 43.958 2.501 1 1 603 . 11 1 1 A 57 57 LEU N N 57 117.496 120.466 -2.970 1 1 604 . 11 1 1 A 58 58 GLU H H 58 9.053 8.819 0.234 1 1 605 . 11 1 1 A 58 58 GLU HA H 58 4.460 4.865 -0.405 1 1 610 . 11 1 1 A 58 58 GLU C C 58 175.683 176.175 -0.492 1 1 611 . 11 1 1 A 58 58 GLU CA C 58 54.144 54.120 0.024 1 1 612 . 11 1 1 A 58 58 GLU CB C 58 33.286 33.778 -0.492 1 1 614 . 11 1 1 A 58 58 GLU N N 58 121.883 122.102 -0.219 1 1 615 . 11 1 1 A 59 59 VAL H H 59 8.727 8.621 0.106 1 1 616 . 11 1 1 A 59 59 VAL HA H 59 3.213 3.497 -0.284 1 1 624 . 11 1 1 A 59 59 VAL C C 59 177.728 177.110 0.618 1 1 625 . 11 1 1 A 59 59 VAL CA C 59 65.823 65.282 0.541 1 1 626 . 11 1 1 A 59 59 VAL CB C 59 31.151 31.409 -0.258 1 1 629 . 11 1 1 A 59 59 VAL N N 59 121.698 122.666 -0.968 1 1 630 . 11 1 1 A 60 60 GLY H H 60 9.172 8.562 0.610 1 1 631 . 11 1 1 A 60 60 GLY HA2 H 60 4.500 3.997 0.503 1 1 632 . 11 1 1 A 60 60 GLY HA3 H 60 3.469 4.004 -0.535 1 1 633 . 11 1 1 A 60 60 GLY C C 60 173.646 174.048 -0.402 1 1 634 . 11 1 1 A 60 60 GLY CA C 60 44.148 45.035 -0.887 1 1 635 . 11 1 1 A 60 60 GLY N N 60 117.734 115.226 2.508 1 1 636 . 11 1 1 A 61 61 ASP H H 61 7.877 8.050 -0.173 1 1 637 . 11 1 1 A 61 61 ASP HA H 61 4.551 4.621 -0.070 1 1 640 . 11 1 1 A 61 61 ASP C C 61 175.437 175.247 0.190 1 1 641 . 11 1 1 A 61 61 ASP CA C 61 56.057 55.447 0.610 1 1 642 . 11 1 1 A 61 61 ASP CB C 61 40.660 41.777 -1.117 1 1 643 . 11 1 1 A 61 61 ASP N N 61 121.399 121.859 -0.460 1 1 644 . 11 1 1 A 62 62 LEU H H 62 8.773 8.575 0.198 1 1 645 . 11 1 1 A 62 62 LEU HA H 62 4.713 4.901 -0.188 1 1 655 . 11 1 1 A 62 62 LEU C C 62 176.560 175.938 0.622 1 1 656 . 11 1 1 A 62 62 LEU CA C 62 54.259 53.370 0.889 1 1 657 . 11 1 1 A 62 62 LEU CB C 62 42.022 43.925 -1.903 1 1 661 . 11 1 1 A 62 62 LEU N N 62 120.566 123.742 -3.176 1 1 662 . 11 1 1 A 63 63 VAL H H 63 8.121 8.632 -0.511 1 1 663 . 11 1 1 A 63 63 VAL HA H 63 4.113 4.371 -0.258 1 1 671 . 11 1 1 A 63 63 VAL C C 63 175.468 175.359 0.109 1 1 672 . 11 1 1 A 63 63 VAL CA C 63 61.763 61.696 0.067 1 1 673 . 11 1 1 A 63 63 VAL CB C 63 31.413 32.803 -1.390 1 1 676 . 11 1 1 A 63 63 VAL N N 63 121.172 123.242 -2.070 1 1 677 . 11 1 1 A 64 64 LEU H H 64 9.077 8.566 0.511 1 1 678 . 11 1 1 A 64 64 LEU HA H 64 4.113 4.160 -0.047 1 1 688 . 11 1 1 A 64 64 LEU C C 64 177.611 176.232 1.379 1 1 689 . 11 1 1 A 64 64 LEU CA C 64 56.614 55.162 1.452 1 1 690 . 11 1 1 A 64 64 LEU CB C 64 42.994 42.269 0.725 1 1 694 . 11 1 1 A 64 64 LEU N N 64 130.175 127.679 2.496 1 1 695 . 11 1 1 A 65 65 HIS H H 65 7.510 7.549 -0.039 1 1 696 . 11 1 1 A 65 65 HIS HA H 65 5.297 5.150 0.147 1 1 701 . 11 1 1 A 65 65 HIS C C 65 174.833 173.586 1.247 1 1 702 . 11 1 1 A 65 65 HIS CA C 65 55.715 54.488 1.227 1 1 703 . 11 1 1 A 65 65 HIS CB C 65 35.813 34.736 1.077 1 1 706 . 11 1 1 A 65 65 HIS N N 65 115.096 114.516 0.580 1 1 707 . 11 1 1 A 66 66 ILE H H 66 8.675 8.580 0.095 1 1 708 . 11 1 1 A 66 66 ILE HA H 66 4.320 4.409 -0.089 1 1 718 . 11 1 1 A 66 66 ILE C C 66 175.571 175.880 -0.309 1 1 719 . 11 1 1 A 66 66 ILE CA C 66 60.510 60.362 0.148 1 1 720 . 11 1 1 A 66 66 ILE CB C 66 41.360 40.742 0.618 1 1 724 . 11 1 1 A 66 66 ILE N N 66 119.474 119.375 0.099 1 1 725 . 11 1 1 A 67 67 ASN H H 67 10.170 9.573 0.597 1 1 726 . 11 1 1 A 67 67 ASN HA H 67 4.595 4.618 -0.023 1 1 731 . 11 1 1 A 67 67 ASN C C 67 175.349 175.509 -0.160 1 1 732 . 11 1 1 A 67 67 ASN CA C 67 54.589 54.618 -0.029 1 1 733 . 11 1 1 A 67 67 ASN CB C 67 37.267 37.436 -0.169 1 1 734 . 11 1 1 A 67 67 ASN N N 67 129.216 127.334 1.882 1 1 736 . 11 1 1 A 68 68 GLY H H 68 9.396 8.744 0.652 1 1 737 . 11 1 1 A 68 68 GLY HA2 H 68 4.155 3.880 0.275 1 1 738 . 11 1 1 A 68 68 GLY HA3 H 68 3.585 3.895 -0.310 1 1 739 . 11 1 1 A 68 68 GLY C C 68 173.920 173.779 0.141 1 1 740 . 11 1 1 A 68 68 GLY CA C 68 45.267 46.018 -0.751 1 1 741 . 11 1 1 A 68 68 GLY N N 68 104.067 103.655 0.412 1 1 742 . 11 1 1 A 69 69 GLU H H 69 7.815 8.028 -0.213 1 1 743 . 11 1 1 A 69 69 GLU HA H 69 4.619 4.698 -0.079 1 1 748 . 11 1 1 A 69 69 GLU C C 69 175.696 175.388 0.308 1 1 749 . 11 1 1 A 69 69 GLU CA C 69 54.803 54.765 0.038 1 1 750 . 11 1 1 A 69 69 GLU CB C 69 32.281 32.719 -0.438 1 1 752 . 11 1 1 A 69 69 GLU N N 69 121.337 120.681 0.656 1 1 753 . 11 1 1 A 70 70 SER H H 70 8.867 8.989 -0.122 1 1 754 . 11 1 1 A 70 70 SER HA H 70 4.411 4.614 -0.203 1 1 757 . 11 1 1 A 70 70 SER C C 70 176.409 174.522 1.887 1 1 758 . 11 1 1 A 70 70 SER CA C 70 58.034 59.086 -1.052 1 1 759 . 11 1 1 A 70 70 SER CB C 70 63.432 63.297 0.135 1 1 760 . 11 1 1 A 70 70 SER N N 70 119.566 121.505 -1.939 1 1 761 . 11 1 1 A 71 71 THR H H 71 7.914 9.096 -1.182 1 1 762 . 11 1 1 A 71 71 THR HA H 71 4.162 4.437 -0.275 1 1 767 . 11 1 1 A 71 71 THR C C 71 175.433 175.423 0.010 1 1 768 . 11 1 1 A 71 71 THR CA C 71 60.921 62.662 -1.741 1 1 769 . 11 1 1 A 71 71 THR CB C 71 68.671 68.889 -0.218 1 1 771 . 11 1 1 A 71 71 THR N N 71 114.514 121.124 -6.610 1 1 772 . 11 1 1 A 72 72 GLN H H 72 8.131 8.522 -0.391 1 1 773 . 11 1 1 A 72 72 GLN HA H 72 4.020 4.159 -0.139 1 1 780 . 11 1 1 A 72 72 GLN C C 72 176.950 176.641 0.309 1 1 781 . 11 1 1 A 72 72 GLN CA C 72 58.361 57.789 0.572 1 1 782 . 11 1 1 A 72 72 GLN CB C 72 28.079 28.371 -0.292 1 1 784 . 11 1 1 A 72 72 GLN N N 72 124.809 120.378 4.431 1 1 786 . 11 1 1 A 73 73 GLY H H 73 9.025 7.936 1.089 1 1 787 . 11 1 1 A 73 73 GLY HA2 H 73 4.092 4.044 0.048 1 1 788 . 11 1 1 A 73 73 GLY HA3 H 73 3.754 4.045 -0.291 1 1 789 . 11 1 1 A 73 73 GLY C C 73 173.971 173.172 0.799 1 1 790 . 11 1 1 A 73 73 GLY CA C 73 45.373 45.671 -0.298 1 1 791 . 11 1 1 A 73 73 GLY N N 73 114.015 106.403 7.612 1 1 792 . 11 1 1 A 74 74 LEU H H 74 7.672 7.289 0.383 1 1 793 . 11 1 1 A 74 74 LEU HA H 74 4.768 4.768 0.000 1 1 803 . 11 1 1 A 74 74 LEU C C 74 179.964 177.121 2.843 1 1 804 . 11 1 1 A 74 74 LEU CA C 74 54.682 53.654 1.028 1 1 805 . 11 1 1 A 74 74 LEU CB C 74 42.355 43.544 -1.189 1 1 809 . 11 1 1 A 74 74 LEU N N 74 118.933 121.232 -2.299 1 1 810 . 11 1 1 A 75 75 THR H H 75 8.911 8.830 0.081 1 1 811 . 11 1 1 A 75 75 THR HA H 75 4.799 4.736 0.063 1 1 816 . 11 1 1 A 75 75 THR C C 75 174.971 175.401 -0.430 1 1 817 . 11 1 1 A 75 75 THR CA C 75 60.571 60.503 0.068 1 1 818 . 11 1 1 A 75 75 THR CB C 75 71.058 71.354 -0.296 1 1 820 . 11 1 1 A 75 75 THR N N 75 113.687 116.456 -2.769 1 1 821 . 11 1 1 A 76 76 HIS H H 76 9.474 9.212 0.262 1 1 822 . 11 1 1 A 76 76 HIS HA H 76 3.997 4.147 -0.150 1 1 826 . 11 1 1 A 76 76 HIS C C 76 176.917 176.872 0.045 1 1 827 . 11 1 1 A 76 76 HIS CA C 76 61.208 60.702 0.506 1 1 828 . 11 1 1 A 76 76 HIS CB C 76 29.729 30.431 -0.702 1 1 830 . 11 1 1 A 76 76 HIS N N 76 122.022 122.199 -0.177 1 1 831 . 11 1 1 A 77 77 ALA H H 77 8.457 8.071 0.386 1 1 832 . 11 1 1 A 77 77 ALA HA H 77 3.946 3.636 0.310 1 1 836 . 11 1 1 A 77 77 ALA C C 77 181.502 179.682 1.820 1 1 837 . 11 1 1 A 77 77 ALA CA C 77 55.282 55.170 0.112 1 1 838 . 11 1 1 A 77 77 ALA CB C 77 18.162 18.205 -0.043 1 1 839 . 11 1 1 A 77 77 ALA N N 77 119.389 121.014 -1.625 1 1 840 . 11 1 1 A 78 78 GLN H H 78 7.991 8.134 -0.143 1 1 841 . 11 1 1 A 78 78 GLN HA H 78 4.029 4.042 -0.013 1 1 848 . 11 1 1 A 78 78 GLN C C 78 179.215 178.466 0.749 1 1 849 . 11 1 1 A 78 78 GLN CA C 78 58.562 58.817 -0.255 1 1 850 . 11 1 1 A 78 78 GLN CB C 78 29.592 28.507 1.085 1 1 852 . 11 1 1 A 78 78 GLN N N 78 117.510 117.355 0.155 1 1 854 . 11 1 1 A 79 79 ALA H H 79 8.367 8.277 0.090 1 1 855 . 11 1 1 A 79 79 ALA HA H 79 3.775 4.093 -0.318 1 1 859 . 11 1 1 A 79 79 ALA C C 79 178.754 179.899 -1.145 1 1 860 . 11 1 1 A 79 79 ALA CA C 79 55.828 55.276 0.552 1 1 861 . 11 1 1 A 79 79 ALA CB C 79 18.733 18.647 0.086 1 1 862 . 11 1 1 A 79 79 ALA N N 79 123.463 122.366 1.097 1 1 863 . 11 1 1 A 80 80 VAL H H 80 8.228 7.855 0.373 1 1 864 . 11 1 1 A 80 80 VAL HA H 80 3.510 3.416 0.094 1 1 872 . 11 1 1 A 80 80 VAL C C 80 179.087 177.767 1.320 1 1 873 . 11 1 1 A 80 80 VAL CA C 80 66.912 66.527 0.385 1 1 874 . 11 1 1 A 80 80 VAL CB C 80 31.781 31.545 0.236 1 1 877 . 11 1 1 A 80 80 VAL N N 80 116.720 118.008 -1.288 1 1 878 . 11 1 1 A 81 81 GLU H H 81 7.834 8.654 -0.820 1 1 879 . 11 1 1 A 81 81 GLU HA H 81 4.195 3.927 0.268 1 1 884 . 11 1 1 A 81 81 GLU C C 81 178.847 178.730 0.117 1 1 885 . 11 1 1 A 81 81 GLU CA C 81 59.100 59.864 -0.764 1 1 886 . 11 1 1 A 81 81 GLU CB C 81 28.818 28.951 -0.133 1 1 888 . 11 1 1 A 81 81 GLU N N 81 121.198 119.861 1.337 1 1 889 . 11 1 1 A 82 82 ARG H H 82 8.004 8.031 -0.027 1 1 890 . 11 1 1 A 82 82 ARG HA H 82 4.021 4.060 -0.039 1 1 897 . 11 1 1 A 82 82 ARG C C 82 179.863 178.459 1.404 1 1 898 . 11 1 1 A 82 82 ARG CA C 82 58.487 59.054 -0.567 1 1 899 . 11 1 1 A 82 82 ARG CB C 82 29.026 29.711 -0.685 1 1 902 . 11 1 1 A 82 82 ARG N N 82 119.267 119.013 0.254 1 1 903 . 11 1 1 A 83 83 ILE H H 83 7.875 7.839 0.036 1 1 904 . 11 1 1 A 83 83 ILE HA H 83 3.467 3.555 -0.088 1 1 914 . 11 1 1 A 83 83 ILE C C 83 179.211 177.917 1.294 1 1 915 . 11 1 1 A 83 83 ILE CA C 83 65.491 64.967 0.524 1 1 916 . 11 1 1 A 83 83 ILE CB C 83 38.055 37.583 0.472 1 1 920 . 11 1 1 A 83 83 ILE N N 83 120.039 120.617 -0.578 1 1 921 . 11 1 1 A 84 84 ARG H H 84 8.207 8.411 -0.204 1 1 922 . 11 1 1 A 84 84 ARG HA H 84 4.125 4.129 -0.004 1 1 929 . 11 1 1 A 84 84 ARG C C 84 179.062 179.240 -0.178 1 1 930 . 11 1 1 A 84 84 ARG CA C 84 59.643 59.855 -0.212 1 1 931 . 11 1 1 A 84 84 ARG CB C 84 30.197 30.188 0.009 1 1 934 . 11 1 1 A 84 84 ARG N N 84 121.315 119.729 1.586 1 1 935 . 11 1 1 A 85 85 ALA H H 85 8.366 8.443 -0.077 1 1 936 . 11 1 1 A 85 85 ALA HA H 85 4.241 4.098 0.143 1 1 940 . 11 1 1 A 85 85 ALA C C 85 179.042 179.750 -0.708 1 1 941 . 11 1 1 A 85 85 ALA CA C 85 53.695 54.983 -1.288 1 1 942 . 11 1 1 A 85 85 ALA CB C 85 18.806 18.549 0.257 1 1 943 . 11 1 1 A 85 85 ALA N N 85 120.166 122.082 -1.916 1 1 944 . 11 1 1 A 86 86 GLY H H 86 7.470 8.463 -0.993 1 1 945 . 11 1 1 A 86 86 GLY HA2 H 86 4.134 3.867 0.267 1 1 946 . 11 1 1 A 86 86 GLY HA3 H 86 4.134 3.876 0.258 1 1 947 . 11 1 1 A 86 86 GLY C C 86 174.699 174.658 0.041 1 1 948 . 11 1 1 A 86 86 GLY CA C 86 45.902 47.446 -1.544 1 1 949 . 11 1 1 A 86 86 GLY N N 86 104.067 106.129 -2.062 1 1 950 . 11 1 1 A 87 87 GLY H H 87 7.688 7.548 0.140 1 1 951 . 11 1 1 A 87 87 GLY HA2 H 87 4.528 4.131 0.397 1 1 952 . 11 1 1 A 87 87 GLY HA3 H 87 3.835 4.131 -0.296 1 1 953 . 11 1 1 A 87 87 GLY C C 87 173.611 173.982 -0.371 1 1 954 . 11 1 1 A 87 87 GLY CA C 87 44.677 44.160 0.517 1 1 955 . 11 1 1 A 87 87 GLY N N 87 107.458 105.940 1.518 1 1 956 . 11 1 1 A 88 88 PRO HA H 88 4.306 4.523 -0.217 1 1 963 . 11 1 1 A 88 88 PRO C C 88 175.247 176.469 -1.222 1 1 964 . 11 1 1 A 88 88 PRO CA C 88 64.596 64.153 0.443 1 1 965 . 11 1 1 A 88 88 PRO CB C 88 32.405 32.105 0.300 1 1 968 . 11 1 1 A 89 89 GLN H H 89 7.606 8.106 -0.500 1 1 969 . 11 1 1 A 89 89 GLN HA H 89 5.343 4.952 0.391 1 1 976 . 11 1 1 A 89 89 GLN C C 89 173.750 174.223 -0.473 1 1 977 . 11 1 1 A 89 89 GLN CA C 89 54.626 54.936 -0.310 1 1 978 . 11 1 1 A 89 89 GLN CB C 89 31.870 31.589 0.281 1 1 980 . 11 1 1 A 89 89 GLN N N 89 116.964 118.781 -1.817 1 1 982 . 11 1 1 A 90 90 LEU H H 90 8.610 8.688 -0.078 1 1 983 . 11 1 1 A 90 90 LEU HA H 90 4.757 4.813 -0.056 1 1 993 . 11 1 1 A 90 90 LEU C C 90 173.607 174.991 -1.384 1 1 994 . 11 1 1 A 90 90 LEU CA C 90 53.730 53.569 0.161 1 1 995 . 11 1 1 A 90 90 LEU CB C 90 45.549 44.033 1.516 1 1 999 . 11 1 1 A 90 90 LEU N N 90 124.460 126.194 -1.734 1 1 1000 . 11 1 1 A 91 91 HIS H H 91 8.826 8.814 0.012 1 1 1001 . 11 1 1 A 91 91 HIS HA H 91 5.207 5.720 -0.513 1 1 1006 . 11 1 1 A 91 91 HIS C C 91 174.745 173.279 1.466 1 1 1007 . 11 1 1 A 91 91 HIS CA C 91 55.093 53.756 1.337 1 1 1008 . 11 1 1 A 91 91 HIS CB C 91 32.686 33.044 -0.358 1 1 1011 . 11 1 1 A 91 91 HIS N N 91 126.871 126.515 0.356 1 1 1012 . 11 1 1 A 92 92 LEU H H 92 9.024 8.341 0.683 1 1 1013 . 11 1 1 A 92 92 LEU HA H 92 5.203 4.835 0.368 1 1 1023 . 11 1 1 A 92 92 LEU C C 92 175.889 175.273 0.616 1 1 1024 . 11 1 1 A 92 92 LEU CA C 92 52.955 53.197 -0.242 1 1 1025 . 11 1 1 A 92 92 LEU CB C 92 46.233 45.835 0.398 1 1 1029 . 11 1 1 A 92 92 LEU N N 92 125.837 127.983 -2.146 1 1 1030 . 11 1 1 A 93 93 VAL H H 93 7.739 8.569 -0.830 1 1 1031 . 11 1 1 A 93 93 VAL HA H 93 4.568 4.690 -0.122 1 1 1039 . 11 1 1 A 93 93 VAL C C 93 174.538 174.881 -0.343 1 1 1040 . 11 1 1 A 93 93 VAL CA C 93 62.666 61.319 1.347 1 1 1041 . 11 1 1 A 93 93 VAL CB C 93 32.838 32.742 0.096 1 1 1044 . 11 1 1 A 93 93 VAL N N 93 120.566 122.891 -2.325 1 1 1045 . 11 1 1 A 94 94 ILE H H 94 8.965 8.492 0.473 1 1 1046 . 11 1 1 A 94 94 ILE HA H 94 5.152 4.955 0.197 1 1 1056 . 11 1 1 A 94 94 ILE C C 94 174.723 174.327 0.396 1 1 1057 . 11 1 1 A 94 94 ILE CA C 94 56.360 59.069 -2.709 1 1 1058 . 11 1 1 A 94 94 ILE CB C 94 39.214 40.697 -1.483 1 1 1062 . 11 1 1 A 94 94 ILE N N 94 128.952 127.871 1.081 1 1 1063 . 11 1 1 A 95 95 ARG H H 95 8.286 8.216 0.070 1 1 1064 . 11 1 1 A 95 95 ARG HA H 95 4.715 4.812 -0.097 1 1 1071 . 11 1 1 A 95 95 ARG C C 95 173.665 175.017 -1.352 1 1 1072 . 11 1 1 A 95 95 ARG CA C 95 54.982 54.708 0.274 1 1 1073 . 11 1 1 A 95 95 ARG CB C 95 34.833 33.556 1.277 1 1 1076 . 11 1 1 A 95 95 ARG N N 95 120.920 125.678 -4.758 1 1 1077 . 11 1 1 A 96 96 ARG H H 96 9.238 8.955 0.283 1 1 1078 . 11 1 1 A 96 96 ARG HA H 96 4.984 4.378 0.606 1 1 1086 . 11 1 1 A 96 96 ARG C C 96 174.582 174.908 -0.326 1 1 1087 . 11 1 1 A 96 96 ARG CA C 96 53.219 54.469 -1.250 1 1 1088 . 11 1 1 A 96 96 ARG CB C 96 31.369 31.344 0.025 1 1 1091 . 11 1 1 A 96 96 ARG N N 96 129.955 128.682 1.273 1 1 1093 . 11 1 1 A 97 97 PRO HA H 97 4.424 4.612 -0.188 1 1 1100 . 11 1 1 A 97 97 PRO C C 97 176.289 176.437 -0.148 1 1 1101 . 11 1 1 A 97 97 PRO CA C 97 63.322 62.249 1.073 1 1 1102 . 11 1 1 A 97 97 PRO CB C 97 32.240 32.623 -0.383 1 1 1105 . 11 1 1 A 98 98 LEU H H 98 8.325 8.458 -0.133 1 1 1106 . 11 1 1 A 98 98 LEU HA H 98 4.399 4.533 -0.134 1 1 1116 . 11 1 1 A 98 98 LEU C C 98 177.395 176.257 1.138 1 1 1117 . 11 1 1 A 98 98 LEU CA C 98 55.165 54.796 0.369 1 1 1118 . 11 1 1 A 98 98 LEU CB C 98 42.419 42.523 -0.104 1 1 1122 . 11 1 1 A 98 98 LEU N N 98 122.396 123.058 -0.662 1 1 1123 . 11 1 1 A 99 99 SER H H 99 8.333 8.771 -0.438 1 1 1124 . 11 1 1 A 99 99 SER HA H 99 4.483 5.223 -0.740 1 1 1127 . 11 1 1 A 99 99 SER C C 99 174.489 173.228 1.261 1 1 1128 . 11 1 1 A 99 99 SER CA C 99 58.138 56.309 1.829 1 1 1129 . 11 1 1 A 99 99 SER CB C 99 63.846 65.481 -1.635 1 1 1130 . 11 1 1 A 99 99 SER N N 99 116.892 116.942 -0.050 1 1 1131 . 11 1 1 A 100 100 GLY H H 100 8.253 8.985 -0.732 1 1 1132 . 11 1 1 A 100 100 GLY HA2 H 100 4.177 4.325 -0.148 1 1 1133 . 11 1 1 A 100 100 GLY HA3 H 100 4.101 4.326 -0.225 1 1 1134 . 11 1 1 A 100 100 GLY C C 100 171.838 174.321 -2.483 1 1 1135 . 11 1 1 A 100 100 GLY CA C 100 44.679 43.547 1.132 1 1 1136 . 11 1 1 A 100 100 GLY N N 100 110.703 112.873 -2.170 1 1 1137 . 11 1 1 A 101 101 PRO HA H 101 4.480 4.542 -0.062 1 1 1144 . 11 1 1 A 101 101 PRO C C 101 177.411 176.217 1.194 1 1 1145 . 11 1 1 A 101 101 PRO CA C 101 63.312 64.016 -0.704 1 1 1146 . 11 1 1 A 101 101 PRO CB C 101 32.158 31.690 0.468 1 1 1149 . 11 1 1 A 102 102 SER H H 102 8.517 7.740 0.777 1 1 1150 . 11 1 1 A 102 102 SER C C 102 174.655 174.323 0.332 1 1 1151 . 11 1 1 A 102 102 SER CA C 102 58.438 57.408 1.030 1 1 1152 . 11 1 1 A 102 102 SER CB C 102 63.970 64.217 -0.247 1 1 1 . 12 1 1 A 2 2 SER HA H 2 4.493 4.135 0.358 1 1 4 . 12 1 1 A 2 2 SER C C 2 174.671 172.962 1.709 1 1 5 . 12 1 1 A 2 2 SER CA C 2 58.438 59.087 -0.649 1 1 6 . 12 1 1 A 2 2 SER CB C 2 63.558 61.551 2.007 1 1 7 . 12 1 1 A 3 3 SER H H 3 8.324 7.440 0.884 1 1 8 . 12 1 1 A 3 3 SER HA H 3 4.493 5.162 -0.669 1 1 11 . 12 1 1 A 3 3 SER C C 3 173.918 173.588 0.330 1 1 12 . 12 1 1 A 3 3 SER CA C 3 58.455 57.353 1.102 1 1 13 . 12 1 1 A 3 3 SER CB C 3 63.929 66.612 -2.683 1 1 14 . 12 1 1 A 3 3 SER N N 3 117.862 115.219 2.643 1 1 15 . 12 1 1 A 4 4 GLY H H 4 8.045 8.495 -0.450 1 1 16 . 12 1 1 A 4 4 GLY C C 4 179.001 173.983 5.018 1 1 17 . 12 1 1 A 4 4 GLY CA C 4 46.201 45.547 0.654 1 1 18 . 12 1 1 A 4 4 GLY N N 4 116.862 110.636 6.226 1 1 19 . 12 1 1 A 6 6 SER HA H 6 4.461 4.721 -0.260 1 1 22 . 12 1 1 A 6 6 SER C C 6 175.170 174.343 0.827 1 1 23 . 12 1 1 A 6 6 SER CA C 6 58.755 58.394 0.361 1 1 24 . 12 1 1 A 6 6 SER CB C 6 63.862 65.701 -1.839 1 1 25 . 12 1 1 A 7 7 GLY H H 7 8.432 7.802 0.630 1 1 26 . 12 1 1 A 7 7 GLY HA2 H 7 3.966 4.068 -0.102 1 1 27 . 12 1 1 A 7 7 GLY C C 7 174.309 173.240 1.069 1 1 28 . 12 1 1 A 7 7 GLY CA C 7 45.408 45.256 0.152 1 1 29 . 12 1 1 A 7 7 GLY N N 7 110.678 109.513 1.165 1 1 30 . 12 1 1 A 8 8 GLN H H 8 8.210 8.346 -0.136 1 1 31 . 12 1 1 A 8 8 GLN HA H 8 4.324 5.217 -0.893 1 1 38 . 12 1 1 A 8 8 GLN C C 8 176.037 173.738 2.299 1 1 39 . 12 1 1 A 8 8 GLN CA C 8 55.970 53.658 2.312 1 1 40 . 12 1 1 A 8 8 GLN CB C 8 29.562 33.046 -3.484 1 1 42 . 12 1 1 A 8 8 GLN N N 8 119.977 120.135 -0.158 1 1 44 . 12 1 1 A 9 9 ALA H H 9 8.394 8.600 -0.206 1 1 45 . 12 1 1 A 9 9 ALA HA H 9 4.319 4.838 -0.519 1 1 49 . 12 1 1 A 9 9 ALA C C 9 177.635 175.923 1.712 1 1 50 . 12 1 1 A 9 9 ALA CA C 9 52.531 51.473 1.058 1 1 51 . 12 1 1 A 9 9 ALA CB C 9 19.136 22.888 -3.752 1 1 52 . 12 1 1 A 9 9 ALA N N 9 125.301 121.574 3.727 1 1 53 . 12 1 1 A 10 10 SER H H 10 8.259 8.771 -0.512 1 1 54 . 12 1 1 A 10 10 SER HA H 10 4.440 4.869 -0.429 1 1 57 . 12 1 1 A 10 10 SER C C 10 175.138 174.740 0.398 1 1 58 . 12 1 1 A 10 10 SER CA C 10 58.649 58.026 0.623 1 1 59 . 12 1 1 A 10 10 SER CB C 10 63.888 62.985 0.903 1 1 60 . 12 1 1 A 10 10 SER N N 10 114.874 119.479 -4.605 1 1 61 . 12 1 1 A 11 11 GLY H H 11 8.493 8.176 0.317 1 1 62 . 12 1 1 A 11 11 GLY HA2 H 11 4.039 3.945 0.094 1 1 63 . 12 1 1 A 11 11 GLY HA3 H 11 4.039 4.018 0.021 1 1 64 . 12 1 1 A 11 11 GLY C C 11 173.678 174.135 -0.457 1 1 65 . 12 1 1 A 11 11 GLY CA C 11 45.531 45.455 0.076 1 1 66 . 12 1 1 A 11 11 GLY N N 11 110.301 112.876 -2.575 1 1 67 . 12 1 1 A 12 12 HIS H H 12 7.970 7.327 0.643 1 1 68 . 12 1 1 A 12 12 HIS HA H 12 5.442 4.600 0.842 1 1 73 . 12 1 1 A 12 12 HIS C C 12 175.304 174.042 1.262 1 1 74 . 12 1 1 A 12 12 HIS CA C 12 55.095 54.407 0.688 1 1 75 . 12 1 1 A 12 12 HIS CB C 12 31.849 32.147 -0.298 1 1 78 . 12 1 1 A 12 12 HIS N N 12 119.432 116.901 2.531 1 1 79 . 12 1 1 A 13 13 PHE H H 13 8.940 8.726 0.214 1 1 80 . 12 1 1 A 13 13 PHE HA H 13 5.072 5.564 -0.492 1 1 88 . 12 1 1 A 13 13 PHE C C 13 172.688 173.266 -0.578 1 1 89 . 12 1 1 A 13 13 PHE CA C 13 56.269 55.258 1.011 1 1 90 . 12 1 1 A 13 13 PHE CB C 13 40.835 41.993 -1.158 1 1 96 . 12 1 1 A 13 13 PHE N N 13 118.413 116.855 1.558 1 1 97 . 12 1 1 A 14 14 SER H H 14 8.709 8.987 -0.278 1 1 98 . 12 1 1 A 14 14 SER HA H 14 5.580 5.240 0.340 1 1 101 . 12 1 1 A 14 14 SER C C 14 174.119 174.219 -0.100 1 1 102 . 12 1 1 A 14 14 SER CA C 14 56.974 55.505 1.469 1 1 103 . 12 1 1 A 14 14 SER CB C 14 65.778 66.119 -0.341 1 1 104 . 12 1 1 A 14 14 SER N N 14 115.082 113.899 1.183 1 1 105 . 12 1 1 A 15 15 VAL H H 15 8.801 8.504 0.297 1 1 106 . 12 1 1 A 15 15 VAL HA H 15 4.373 4.715 -0.342 1 1 114 . 12 1 1 A 15 15 VAL C C 15 173.002 175.061 -2.059 1 1 115 . 12 1 1 A 15 15 VAL CA C 15 61.312 61.257 0.055 1 1 116 . 12 1 1 A 15 15 VAL CB C 15 36.461 34.452 2.009 1 1 119 . 12 1 1 A 15 15 VAL N N 15 121.148 121.754 -0.606 1 1 120 . 12 1 1 A 16 16 GLU H H 16 8.383 8.930 -0.547 1 1 121 . 12 1 1 A 16 16 GLU HA H 16 5.299 5.376 -0.077 1 1 126 . 12 1 1 A 16 16 GLU C C 16 175.408 175.569 -0.161 1 1 127 . 12 1 1 A 16 16 GLU CA C 16 54.594 55.132 -0.538 1 1 128 . 12 1 1 A 16 16 GLU CB C 16 31.993 32.015 -0.022 1 1 130 . 12 1 1 A 16 16 GLU N N 16 125.925 126.970 -1.045 1 1 131 . 12 1 1 A 17 17 LEU H H 17 9.172 9.029 0.143 1 1 132 . 12 1 1 A 17 17 LEU HA H 17 5.000 5.002 -0.002 1 1 142 . 12 1 1 A 17 17 LEU C C 17 175.596 175.857 -0.261 1 1 143 . 12 1 1 A 17 17 LEU CA C 17 52.919 53.534 -0.615 1 1 144 . 12 1 1 A 17 17 LEU CB C 17 47.317 46.377 0.940 1 1 148 . 12 1 1 A 17 17 LEU N N 17 122.761 124.986 -2.225 1 1 149 . 12 1 1 A 18 18 VAL H H 18 8.546 8.849 -0.303 1 1 150 . 12 1 1 A 18 18 VAL HA H 18 4.831 4.761 0.070 1 1 158 . 12 1 1 A 18 18 VAL C C 18 175.783 176.058 -0.275 1 1 159 . 12 1 1 A 18 18 VAL CA C 18 61.277 61.153 0.124 1 1 160 . 12 1 1 A 18 18 VAL CB C 18 33.600 33.313 0.287 1 1 163 . 12 1 1 A 18 18 VAL N N 18 122.523 121.945 0.578 1 1 164 . 12 1 1 A 19 19 ARG H H 19 8.495 8.235 0.260 1 1 165 . 12 1 1 A 19 19 ARG HA H 19 2.868 2.814 0.054 1 1 172 . 12 1 1 A 19 19 ARG C C 19 176.248 177.560 -1.312 1 1 173 . 12 1 1 A 19 19 ARG CA C 19 58.138 57.059 1.079 1 1 174 . 12 1 1 A 19 19 ARG CB C 19 30.839 30.681 0.158 1 1 177 . 12 1 1 A 19 19 ARG N N 19 127.015 128.081 -1.066 1 1 178 . 12 1 1 A 20 20 GLY H H 20 7.244 8.314 -1.070 1 1 179 . 12 1 1 A 20 20 GLY HA2 H 20 4.504 3.849 0.655 1 1 180 . 12 1 1 A 20 20 GLY HA3 H 20 3.750 3.856 -0.106 1 1 181 . 12 1 1 A 20 20 GLY C C 20 175.286 174.099 1.187 1 1 182 . 12 1 1 A 20 20 GLY CA C 20 44.131 47.225 -3.094 1 1 183 . 12 1 1 A 20 20 GLY N N 20 112.266 112.921 -0.655 1 1 184 . 12 1 1 A 21 21 TYR HA H 21 4.219 4.900 -0.681 1 1 191 . 12 1 1 A 21 21 TYR C C 21 176.309 175.038 1.271 1 1 192 . 12 1 1 A 21 21 TYR CA C 21 60.518 57.343 3.175 1 1 193 . 12 1 1 A 21 21 TYR CB C 21 37.826 41.674 -3.848 1 1 198 . 12 1 1 A 22 22 ALA H H 22 8.272 8.631 -0.359 1 1 199 . 12 1 1 A 22 22 ALA HA H 22 4.404 3.763 0.641 1 1 203 . 12 1 1 A 22 22 ALA C C 22 177.312 176.323 0.989 1 1 204 . 12 1 1 A 22 22 ALA CA C 22 50.816 52.991 -2.175 1 1 205 . 12 1 1 A 22 22 ALA CB C 22 18.455 17.985 0.470 1 1 206 . 12 1 1 A 22 22 ALA N N 22 121.539 129.692 -8.153 1 1 207 . 12 1 1 A 23 23 GLY H H 23 7.495 8.036 -0.541 1 1 208 . 12 1 1 A 23 23 GLY HA2 H 23 4.541 3.976 0.565 1 1 209 . 12 1 1 A 23 23 GLY HA3 H 23 3.238 4.043 -0.805 1 1 210 . 12 1 1 A 23 23 GLY C C 23 175.043 174.751 0.292 1 1 211 . 12 1 1 A 23 23 GLY CA C 23 44.897 43.923 0.974 1 1 212 . 12 1 1 A 23 23 GLY N N 23 106.744 103.851 2.893 1 1 213 . 12 1 1 A 24 24 PHE H H 24 7.242 8.972 -1.730 1 1 214 . 12 1 1 A 24 24 PHE HA H 24 4.369 4.433 -0.064 1 1 222 . 12 1 1 A 24 24 PHE C C 24 175.902 175.979 -0.077 1 1 223 . 12 1 1 A 24 24 PHE CA C 24 60.347 58.084 2.263 1 1 224 . 12 1 1 A 24 24 PHE CB C 24 39.575 39.317 0.258 1 1 230 . 12 1 1 A 25 25 GLY H H 25 8.820 8.103 0.717 1 1 231 . 12 1 1 A 25 25 GLY HA2 H 25 4.134 4.040 0.094 1 1 232 . 12 1 1 A 25 25 GLY HA3 H 25 3.913 4.043 -0.130 1 1 233 . 12 1 1 A 25 25 GLY C C 25 174.585 174.258 0.327 1 1 234 . 12 1 1 A 25 25 GLY CA C 25 47.030 46.540 0.490 1 1 235 . 12 1 1 A 25 25 GLY N N 25 107.899 109.196 -1.297 1 1 236 . 12 1 1 A 26 26 LEU H H 26 7.991 7.836 0.155 1 1 237 . 12 1 1 A 26 26 LEU HA H 26 4.990 4.846 0.144 1 1 247 . 12 1 1 A 26 26 LEU C C 26 174.135 175.233 -1.098 1 1 248 . 12 1 1 A 26 26 LEU CA C 26 53.906 53.717 0.189 1 1 249 . 12 1 1 A 26 26 LEU CB C 26 45.939 44.275 1.664 1 1 253 . 12 1 1 A 26 26 LEU N N 26 122.133 122.958 -0.825 1 1 254 . 12 1 1 A 27 27 THR H H 27 8.657 8.676 -0.019 1 1 255 . 12 1 1 A 27 27 THR HA H 27 4.662 5.311 -0.649 1 1 260 . 12 1 1 A 27 27 THR C C 27 174.074 173.427 0.647 1 1 261 . 12 1 1 A 27 27 THR CA C 27 61.382 61.096 0.286 1 1 262 . 12 1 1 A 27 27 THR CB C 27 70.010 73.031 -3.021 1 1 264 . 12 1 1 A 27 27 THR N N 27 121.262 121.890 -0.628 1 1 265 . 12 1 1 A 28 28 LEU H H 28 9.692 8.879 0.813 1 1 266 . 12 1 1 A 28 28 LEU HA H 28 5.297 5.280 0.017 1 1 276 . 12 1 1 A 28 28 LEU C C 28 175.414 175.929 -0.515 1 1 277 . 12 1 1 A 28 28 LEU CA C 28 53.219 53.129 0.090 1 1 278 . 12 1 1 A 28 28 LEU CB C 28 45.049 45.456 -0.407 1 1 282 . 12 1 1 A 28 28 LEU N N 28 128.374 124.629 3.745 1 1 283 . 12 1 1 A 29 29 GLY H H 29 8.818 8.732 0.086 1 1 284 . 12 1 1 A 29 29 GLY HA2 H 29 4.089 4.231 -0.142 1 1 285 . 12 1 1 A 29 29 GLY HA3 H 29 3.664 4.246 -0.582 1 1 286 . 12 1 1 A 29 29 GLY C C 29 171.700 174.492 -2.792 1 1 287 . 12 1 1 A 29 29 GLY CA C 29 44.086 44.319 -0.233 1 1 288 . 12 1 1 A 29 29 GLY N N 29 106.574 111.723 -5.149 1 1 289 . 12 1 1 A 30 30 GLY H H 30 8.339 8.315 0.024 1 1 290 . 12 1 1 A 30 30 GLY HA2 H 30 4.434 3.964 0.470 1 1 291 . 12 1 1 A 30 30 GLY HA3 H 30 3.554 3.982 -0.428 1 1 292 . 12 1 1 A 30 30 GLY C C 30 174.290 174.089 0.201 1 1 293 . 12 1 1 A 30 30 GLY CA C 30 44.879 45.422 -0.543 1 1 294 . 12 1 1 A 30 30 GLY N N 30 107.245 110.494 -3.249 1 1 295 . 12 1 1 A 31 31 GLY H H 31 7.292 8.746 -1.454 1 1 296 . 12 1 1 A 31 31 GLY HA2 H 31 4.439 4.037 0.402 1 1 297 . 12 1 1 A 31 31 GLY HA3 H 31 4.000 4.065 -0.065 1 1 298 . 12 1 1 A 31 31 GLY C C 31 174.513 173.512 1.001 1 1 299 . 12 1 1 A 31 31 GLY CA C 31 43.589 45.390 -1.801 1 1 300 . 12 1 1 A 31 31 GLY N N 31 107.984 108.865 -0.881 1 1 301 . 12 1 1 A 32 32 ARG H H 32 8.065 8.446 -0.381 1 1 302 . 12 1 1 A 32 32 ARG HA H 32 4.380 4.721 -0.341 1 1 309 . 12 1 1 A 32 32 ARG C C 32 176.139 174.636 1.503 1 1 310 . 12 1 1 A 32 32 ARG CA C 32 57.354 55.122 2.232 1 1 311 . 12 1 1 A 32 32 ARG CB C 32 30.080 31.460 -1.380 1 1 314 . 12 1 1 A 32 32 ARG N N 32 121.733 122.953 -1.220 1 1 315 . 12 1 1 A 33 33 ASP H H 33 8.916 8.951 -0.035 1 1 316 . 12 1 1 A 33 33 ASP HA H 33 4.799 4.922 -0.123 1 1 319 . 12 1 1 A 33 33 ASP C C 33 176.381 176.982 -0.601 1 1 320 . 12 1 1 A 33 33 ASP CA C 33 53.783 52.834 0.949 1 1 321 . 12 1 1 A 33 33 ASP CB C 33 43.712 43.305 0.407 1 1 322 . 12 1 1 A 33 33 ASP N N 33 126.313 127.344 -1.031 1 1 323 . 12 1 1 A 34 34 VAL H H 34 8.372 8.788 -0.416 1 1 324 . 12 1 1 A 34 34 VAL HA H 34 3.943 3.722 0.221 1 1 329 . 12 1 1 A 34 34 VAL C C 34 176.591 176.560 0.031 1 1 330 . 12 1 1 A 34 34 VAL CA C 34 64.644 65.675 -1.031 1 1 331 . 12 1 1 A 34 34 VAL CB C 34 31.796 32.114 -0.318 1 1 333 . 12 1 1 A 34 34 VAL N N 34 121.465 121.801 -0.336 1 1 334 . 12 1 1 A 35 35 ALA H H 35 8.577 8.032 0.545 1 1 335 . 12 1 1 A 35 35 ALA HA H 35 4.386 4.561 -0.175 1 1 339 . 12 1 1 A 35 35 ALA C C 35 177.532 176.724 0.808 1 1 340 . 12 1 1 A 35 35 ALA CA C 35 52.589 51.332 1.257 1 1 341 . 12 1 1 A 35 35 ALA CB C 35 19.095 20.093 -0.998 1 1 342 . 12 1 1 A 35 35 ALA N N 35 123.222 120.012 3.210 1 1 343 . 12 1 1 A 36 36 GLY H H 36 7.816 7.580 0.236 1 1 344 . 12 1 1 A 36 36 GLY HA2 H 36 4.274 4.069 0.205 1 1 345 . 12 1 1 A 36 36 GLY HA3 H 36 3.723 4.072 -0.349 1 1 346 . 12 1 1 A 36 36 GLY C C 36 172.610 172.289 0.321 1 1 347 . 12 1 1 A 36 36 GLY CA C 36 45.161 45.723 -0.562 1 1 348 . 12 1 1 A 36 36 GLY N N 36 107.925 106.968 0.957 1 1 349 . 12 1 1 A 37 37 ASP H H 37 8.604 8.824 -0.220 1 1 350 . 12 1 1 A 37 37 ASP HA H 37 4.810 5.362 -0.552 1 1 353 . 12 1 1 A 37 37 ASP C C 37 176.081 174.472 1.609 1 1 354 . 12 1 1 A 37 37 ASP CA C 37 54.700 52.996 1.704 1 1 355 . 12 1 1 A 37 37 ASP CB C 37 41.076 42.449 -1.373 1 1 356 . 12 1 1 A 37 37 ASP N N 37 124.969 119.842 5.127 1 1 357 . 12 1 1 A 38 38 THR H H 38 7.679 9.074 -1.395 1 1 358 . 12 1 1 A 38 38 THR HA H 38 4.704 5.059 -0.355 1 1 363 . 12 1 1 A 38 38 THR C C 38 172.712 171.679 1.033 1 1 364 . 12 1 1 A 38 38 THR CA C 38 59.810 58.252 1.558 1 1 365 . 12 1 1 A 38 38 THR CB C 38 70.420 70.759 -0.339 1 1 367 . 12 1 1 A 38 38 THR N N 38 116.498 115.138 1.360 1 1 368 . 12 1 1 A 39 39 PRO HA H 39 4.305 4.518 -0.213 1 1 375 . 12 1 1 A 39 39 PRO C C 39 176.355 176.918 -0.563 1 1 376 . 12 1 1 A 39 39 PRO CA C 39 63.304 62.865 0.439 1 1 377 . 12 1 1 A 39 39 PRO CB C 39 32.703 32.088 0.615 1 1 380 . 12 1 1 A 40 40 LEU H H 40 8.247 8.216 0.031 1 1 381 . 12 1 1 A 40 40 LEU HA H 40 4.704 4.261 0.443 1 1 391 . 12 1 1 A 40 40 LEU C C 40 176.631 177.277 -0.646 1 1 392 . 12 1 1 A 40 40 LEU CA C 40 55.352 55.235 0.117 1 1 393 . 12 1 1 A 40 40 LEU CB C 40 42.524 42.377 0.147 1 1 397 . 12 1 1 A 40 40 LEU N N 40 125.558 124.121 1.437 1 1 398 . 12 1 1 A 41 41 ALA H H 41 8.856 8.357 0.499 1 1 399 . 12 1 1 A 41 41 ALA HA H 41 5.465 5.180 0.285 1 1 403 . 12 1 1 A 41 41 ALA C C 41 176.658 176.321 0.337 1 1 404 . 12 1 1 A 41 41 ALA CA C 41 50.503 51.276 -0.773 1 1 405 . 12 1 1 A 41 41 ALA CB C 41 24.074 22.801 1.273 1 1 406 . 12 1 1 A 41 41 ALA N N 41 128.426 125.737 2.689 1 1 407 . 12 1 1 A 42 42 VAL H H 42 9.160 8.778 0.382 1 1 408 . 12 1 1 A 42 42 VAL HA H 42 3.803 4.186 -0.383 1 1 416 . 12 1 1 A 42 42 VAL C C 42 176.499 175.748 0.751 1 1 417 . 12 1 1 A 42 42 VAL CA C 42 64.196 63.817 0.379 1 1 418 . 12 1 1 A 42 42 VAL CB C 42 31.773 32.100 -0.327 1 1 421 . 12 1 1 A 42 42 VAL N N 42 119.342 122.936 -3.594 1 1 422 . 12 1 1 A 43 43 ARG H H 43 9.385 9.018 0.367 1 1 423 . 12 1 1 A 43 43 ARG HA H 43 4.527 4.473 0.054 1 1 430 . 12 1 1 A 43 43 ARG C C 43 175.332 175.800 -0.468 1 1 431 . 12 1 1 A 43 43 ARG CA C 43 55.340 57.078 -1.738 1 1 432 . 12 1 1 A 43 43 ARG CB C 43 32.242 32.228 0.014 1 1 435 . 12 1 1 A 43 43 ARG N N 43 131.043 128.040 3.003 1 1 436 . 12 1 1 A 44 44 GLY H H 44 7.872 7.882 -0.010 1 1 437 . 12 1 1 A 44 44 GLY HA2 H 44 4.155 4.220 -0.065 1 1 438 . 12 1 1 A 44 44 GLY HA3 H 44 3.765 4.223 -0.458 1 1 439 . 12 1 1 A 44 44 GLY C C 44 170.284 171.805 -1.521 1 1 440 . 12 1 1 A 44 44 GLY CA C 44 45.602 44.082 1.520 1 1 441 . 12 1 1 A 44 44 GLY N N 44 107.517 107.557 -0.040 1 1 442 . 12 1 1 A 45 45 LEU H H 45 8.455 9.565 -1.110 1 1 443 . 12 1 1 A 45 45 LEU HA H 45 4.915 4.898 0.017 1 1 453 . 12 1 1 A 45 45 LEU C C 45 175.215 176.873 -1.658 1 1 454 . 12 1 1 A 45 45 LEU CA C 45 52.795 53.934 -1.139 1 1 455 . 12 1 1 A 45 45 LEU CB C 45 44.824 43.423 1.401 1 1 459 . 12 1 1 A 45 45 LEU N N 45 121.812 124.535 -2.723 1 1 460 . 12 1 1 A 46 46 LEU H H 46 7.582 8.791 -1.209 1 1 461 . 12 1 1 A 46 46 LEU HA H 46 4.208 4.393 -0.185 1 1 471 . 12 1 1 A 46 46 LEU C C 46 177.935 176.606 1.329 1 1 472 . 12 1 1 A 46 46 LEU CA C 46 54.984 55.842 -0.858 1 1 473 . 12 1 1 A 46 46 LEU CB C 46 42.815 42.754 0.061 1 1 477 . 12 1 1 A 46 46 LEU N N 46 124.670 128.507 -3.837 1 1 478 . 12 1 1 A 47 47 LYS H H 47 8.959 8.692 0.267 1 1 479 . 12 1 1 A 47 47 LYS HA H 47 3.875 3.922 -0.047 1 1 488 . 12 1 1 A 47 47 LYS C C 47 176.699 177.015 -0.316 1 1 489 . 12 1 1 A 47 47 LYS CA C 47 58.861 57.514 1.347 1 1 490 . 12 1 1 A 47 47 LYS CB C 47 32.076 32.374 -0.298 1 1 494 . 12 1 1 A 47 47 LYS N N 47 129.726 127.182 2.544 1 1 495 . 12 1 1 A 48 48 ASP H H 48 8.845 8.898 -0.053 1 1 496 . 12 1 1 A 48 48 ASP HA H 48 4.395 4.380 0.015 1 1 499 . 12 1 1 A 48 48 ASP C C 48 175.442 175.427 0.015 1 1 500 . 12 1 1 A 48 48 ASP CA C 48 56.632 54.976 1.656 1 1 501 . 12 1 1 A 48 48 ASP CB C 48 39.740 38.597 1.143 1 1 502 . 12 1 1 A 48 48 ASP N N 48 119.883 125.486 -5.603 1 1 503 . 12 1 1 A 49 49 GLY H H 49 7.947 7.668 0.279 1 1 504 . 12 1 1 A 49 49 GLY HA2 H 49 4.578 4.162 0.416 1 1 505 . 12 1 1 A 49 49 GLY HA3 H 49 3.748 4.173 -0.425 1 1 506 . 12 1 1 A 49 49 GLY C C 49 172.008 174.790 -2.782 1 1 507 . 12 1 1 A 49 49 GLY CA C 49 45.000 43.835 1.165 1 1 508 . 12 1 1 A 49 49 GLY N N 49 106.565 109.062 -2.497 1 1 509 . 12 1 1 A 50 50 PRO HA H 50 4.268 4.375 -0.107 1 1 516 . 12 1 1 A 50 50 PRO C C 50 179.273 178.740 0.533 1 1 517 . 12 1 1 A 50 50 PRO CA C 50 65.791 65.344 0.447 1 1 518 . 12 1 1 A 50 50 PRO CB C 50 32.532 31.937 0.595 1 1 521 . 12 1 1 A 51 51 ALA H H 51 7.805 8.314 -0.509 1 1 522 . 12 1 1 A 51 51 ALA HA H 51 4.167 4.185 -0.018 1 1 526 . 12 1 1 A 51 51 ALA C C 51 178.947 180.042 -1.095 1 1 527 . 12 1 1 A 51 51 ALA CA C 51 55.079 54.948 0.131 1 1 528 . 12 1 1 A 51 51 ALA CB C 51 18.988 18.408 0.580 1 1 529 . 12 1 1 A 51 51 ALA N N 51 119.037 118.790 0.247 1 1 530 . 12 1 1 A 52 52 GLN H H 52 9.614 7.789 1.825 1 1 531 . 12 1 1 A 52 52 GLN HA H 52 3.969 4.134 -0.165 1 1 538 . 12 1 1 A 52 52 GLN C C 52 178.509 178.398 0.111 1 1 539 . 12 1 1 A 52 52 GLN CA C 52 59.529 58.732 0.797 1 1 540 . 12 1 1 A 52 52 GLN CB C 52 29.107 28.466 0.641 1 1 542 . 12 1 1 A 52 52 GLN N N 52 122.017 118.083 3.934 1 1 544 . 12 1 1 A 53 53 ARG H H 53 8.524 8.045 0.479 1 1 545 . 12 1 1 A 53 53 ARG HA H 53 3.996 4.080 -0.084 1 1 552 . 12 1 1 A 53 53 ARG C C 53 178.479 178.951 -0.472 1 1 553 . 12 1 1 A 53 53 ARG CA C 53 58.825 59.467 -0.642 1 1 554 . 12 1 1 A 53 53 ARG CB C 53 30.546 30.527 0.019 1 1 557 . 12 1 1 A 53 53 ARG N N 53 116.703 118.991 -2.288 1 1 558 . 12 1 1 A 54 54 CYS H H 54 7.589 8.040 -0.451 1 1 559 . 12 1 1 A 54 54 CYS HA H 54 4.641 4.314 0.327 1 1 562 . 12 1 1 A 54 54 CYS C C 54 175.840 175.704 0.136 1 1 563 . 12 1 1 A 54 54 CYS CA C 54 59.724 60.272 -0.548 1 1 564 . 12 1 1 A 54 54 CYS CB C 54 27.419 28.741 -1.322 1 1 565 . 12 1 1 A 54 54 CYS N N 54 113.424 116.997 -3.573 1 1 566 . 12 1 1 A 55 55 GLY H H 55 7.436 7.764 -0.328 1 1 567 . 12 1 1 A 55 55 GLY HA2 H 55 4.082 3.959 0.123 1 1 568 . 12 1 1 A 55 55 GLY HA3 H 55 4.082 3.969 0.113 1 1 569 . 12 1 1 A 55 55 GLY C C 55 174.435 175.832 -1.397 1 1 570 . 12 1 1 A 55 55 GLY CA C 55 46.977 45.297 1.680 1 1 571 . 12 1 1 A 55 55 GLY N N 55 109.572 109.481 0.091 1 1 572 . 12 1 1 A 56 56 ARG H H 56 7.860 8.169 -0.309 1 1 573 . 12 1 1 A 56 56 ARG HA H 56 4.472 3.978 0.494 1 1 580 . 12 1 1 A 56 56 ARG C C 56 174.959 176.736 -1.777 1 1 581 . 12 1 1 A 56 56 ARG CA C 56 55.687 58.775 -3.088 1 1 582 . 12 1 1 A 56 56 ARG CB C 56 32.785 30.221 2.564 1 1 585 . 12 1 1 A 56 56 ARG N N 56 118.137 119.826 -1.689 1 1 586 . 12 1 1 A 57 57 LEU H H 57 8.219 8.033 0.186 1 1 587 . 12 1 1 A 57 57 LEU HA H 57 4.926 4.642 0.284 1 1 597 . 12 1 1 A 57 57 LEU C C 57 175.333 176.051 -0.718 1 1 598 . 12 1 1 A 57 57 LEU CA C 57 53.043 53.682 -0.639 1 1 599 . 12 1 1 A 57 57 LEU CB C 57 46.459 43.568 2.891 1 1 603 . 12 1 1 A 57 57 LEU N N 57 117.496 119.365 -1.869 1 1 604 . 12 1 1 A 58 58 GLU H H 58 9.053 9.336 -0.283 1 1 605 . 12 1 1 A 58 58 GLU HA H 58 4.460 4.920 -0.460 1 1 610 . 12 1 1 A 58 58 GLU C C 58 175.683 176.253 -0.570 1 1 611 . 12 1 1 A 58 58 GLU CA C 58 54.144 54.238 -0.094 1 1 612 . 12 1 1 A 58 58 GLU CB C 58 33.286 33.996 -0.710 1 1 614 . 12 1 1 A 58 58 GLU N N 58 121.883 122.235 -0.352 1 1 615 . 12 1 1 A 59 59 VAL H H 59 8.727 8.562 0.165 1 1 616 . 12 1 1 A 59 59 VAL HA H 59 3.213 3.630 -0.417 1 1 624 . 12 1 1 A 59 59 VAL C C 59 177.728 176.932 0.796 1 1 625 . 12 1 1 A 59 59 VAL CA C 59 65.823 65.061 0.762 1 1 626 . 12 1 1 A 59 59 VAL CB C 59 31.151 31.056 0.095 1 1 629 . 12 1 1 A 59 59 VAL N N 59 121.698 122.394 -0.696 1 1 630 . 12 1 1 A 60 60 GLY H H 60 9.172 8.572 0.600 1 1 631 . 12 1 1 A 60 60 GLY HA2 H 60 4.500 4.035 0.465 1 1 632 . 12 1 1 A 60 60 GLY HA3 H 60 3.469 4.038 -0.569 1 1 633 . 12 1 1 A 60 60 GLY C C 60 173.646 174.310 -0.664 1 1 634 . 12 1 1 A 60 60 GLY CA C 60 44.148 45.057 -0.909 1 1 635 . 12 1 1 A 60 60 GLY N N 60 117.734 115.447 2.287 1 1 636 . 12 1 1 A 61 61 ASP H H 61 7.877 7.863 0.014 1 1 637 . 12 1 1 A 61 61 ASP HA H 61 4.551 4.619 -0.068 1 1 640 . 12 1 1 A 61 61 ASP C C 61 175.437 175.535 -0.098 1 1 641 . 12 1 1 A 61 61 ASP CA C 61 56.057 55.317 0.740 1 1 642 . 12 1 1 A 61 61 ASP CB C 61 40.660 41.799 -1.139 1 1 643 . 12 1 1 A 61 61 ASP N N 61 121.399 122.212 -0.813 1 1 644 . 12 1 1 A 62 62 LEU H H 62 8.773 8.482 0.291 1 1 645 . 12 1 1 A 62 62 LEU HA H 62 4.713 4.835 -0.122 1 1 655 . 12 1 1 A 62 62 LEU C C 62 176.560 176.317 0.243 1 1 656 . 12 1 1 A 62 62 LEU CA C 62 54.259 53.560 0.699 1 1 657 . 12 1 1 A 62 62 LEU CB C 62 42.022 43.562 -1.540 1 1 661 . 12 1 1 A 62 62 LEU N N 62 120.566 123.709 -3.143 1 1 662 . 12 1 1 A 63 63 VAL H H 63 8.121 8.741 -0.620 1 1 663 . 12 1 1 A 63 63 VAL HA H 63 4.113 4.187 -0.074 1 1 671 . 12 1 1 A 63 63 VAL C C 63 175.468 175.387 0.081 1 1 672 . 12 1 1 A 63 63 VAL CA C 63 61.763 62.198 -0.435 1 1 673 . 12 1 1 A 63 63 VAL CB C 63 31.413 32.337 -0.924 1 1 676 . 12 1 1 A 63 63 VAL N N 63 121.172 123.612 -2.440 1 1 677 . 12 1 1 A 64 64 LEU H H 64 9.077 8.785 0.292 1 1 678 . 12 1 1 A 64 64 LEU HA H 64 4.113 4.132 -0.019 1 1 688 . 12 1 1 A 64 64 LEU C C 64 177.611 176.312 1.299 1 1 689 . 12 1 1 A 64 64 LEU CA C 64 56.614 55.825 0.789 1 1 690 . 12 1 1 A 64 64 LEU CB C 64 42.994 42.054 0.940 1 1 694 . 12 1 1 A 64 64 LEU N N 64 130.175 127.940 2.235 1 1 695 . 12 1 1 A 65 65 HIS H H 65 7.510 7.037 0.473 1 1 696 . 12 1 1 A 65 65 HIS HA H 65 5.297 5.191 0.106 1 1 701 . 12 1 1 A 65 65 HIS C C 65 174.833 173.646 1.187 1 1 702 . 12 1 1 A 65 65 HIS CA C 65 55.715 54.549 1.166 1 1 703 . 12 1 1 A 65 65 HIS CB C 65 35.813 34.662 1.151 1 1 706 . 12 1 1 A 65 65 HIS N N 65 115.096 113.867 1.229 1 1 707 . 12 1 1 A 66 66 ILE H H 66 8.675 8.892 -0.217 1 1 708 . 12 1 1 A 66 66 ILE HA H 66 4.320 4.402 -0.082 1 1 718 . 12 1 1 A 66 66 ILE C C 66 175.571 175.825 -0.254 1 1 719 . 12 1 1 A 66 66 ILE CA C 66 60.510 60.376 0.134 1 1 720 . 12 1 1 A 66 66 ILE CB C 66 41.360 40.708 0.652 1 1 724 . 12 1 1 A 66 66 ILE N N 66 119.474 119.386 0.088 1 1 725 . 12 1 1 A 67 67 ASN H H 67 10.170 9.849 0.321 1 1 726 . 12 1 1 A 67 67 ASN HA H 67 4.595 4.518 0.077 1 1 731 . 12 1 1 A 67 67 ASN C C 67 175.349 175.456 -0.107 1 1 732 . 12 1 1 A 67 67 ASN CA C 67 54.589 54.638 -0.049 1 1 733 . 12 1 1 A 67 67 ASN CB C 67 37.267 37.411 -0.144 1 1 734 . 12 1 1 A 67 67 ASN N N 67 129.216 127.346 1.870 1 1 736 . 12 1 1 A 68 68 GLY H H 68 9.396 8.724 0.672 1 1 737 . 12 1 1 A 68 68 GLY HA2 H 68 4.155 3.822 0.333 1 1 738 . 12 1 1 A 68 68 GLY HA3 H 68 3.585 3.855 -0.270 1 1 739 . 12 1 1 A 68 68 GLY C C 68 173.920 173.751 0.169 1 1 740 . 12 1 1 A 68 68 GLY CA C 68 45.267 45.932 -0.665 1 1 741 . 12 1 1 A 68 68 GLY N N 68 104.067 103.467 0.600 1 1 742 . 12 1 1 A 69 69 GLU H H 69 7.815 8.153 -0.338 1 1 743 . 12 1 1 A 69 69 GLU HA H 69 4.619 4.647 -0.028 1 1 748 . 12 1 1 A 69 69 GLU C C 69 175.696 175.361 0.335 1 1 749 . 12 1 1 A 69 69 GLU CA C 69 54.803 54.893 -0.090 1 1 750 . 12 1 1 A 69 69 GLU CB C 69 32.281 32.210 0.071 1 1 752 . 12 1 1 A 69 69 GLU N N 69 121.337 120.824 0.513 1 1 753 . 12 1 1 A 70 70 SER H H 70 8.867 8.909 -0.042 1 1 754 . 12 1 1 A 70 70 SER HA H 70 4.411 4.795 -0.384 1 1 757 . 12 1 1 A 70 70 SER C C 70 176.409 174.755 1.654 1 1 758 . 12 1 1 A 70 70 SER CA C 70 58.034 57.536 0.498 1 1 759 . 12 1 1 A 70 70 SER CB C 70 63.432 63.316 0.116 1 1 760 . 12 1 1 A 70 70 SER N N 70 119.566 119.557 0.009 1 1 761 . 12 1 1 A 71 71 THR H H 71 7.914 9.189 -1.275 1 1 762 . 12 1 1 A 71 71 THR HA H 71 4.162 4.401 -0.239 1 1 767 . 12 1 1 A 71 71 THR C C 71 175.433 175.782 -0.349 1 1 768 . 12 1 1 A 71 71 THR CA C 71 60.921 63.249 -2.328 1 1 769 . 12 1 1 A 71 71 THR CB C 71 68.671 69.130 -0.459 1 1 771 . 12 1 1 A 71 71 THR N N 71 114.514 119.937 -5.423 1 1 772 . 12 1 1 A 72 72 GLN H H 72 8.131 7.986 0.145 1 1 773 . 12 1 1 A 72 72 GLN HA H 72 4.020 4.141 -0.121 1 1 780 . 12 1 1 A 72 72 GLN C C 72 176.950 177.475 -0.525 1 1 781 . 12 1 1 A 72 72 GLN CA C 72 58.361 58.691 -0.330 1 1 782 . 12 1 1 A 72 72 GLN CB C 72 28.079 28.740 -0.661 1 1 784 . 12 1 1 A 72 72 GLN N N 72 124.809 121.044 3.765 1 1 786 . 12 1 1 A 73 73 GLY H H 73 9.025 7.866 1.159 1 1 787 . 12 1 1 A 73 73 GLY HA2 H 73 4.092 4.104 -0.012 1 1 788 . 12 1 1 A 73 73 GLY HA3 H 73 3.754 4.106 -0.352 1 1 789 . 12 1 1 A 73 73 GLY C C 73 173.971 173.177 0.794 1 1 790 . 12 1 1 A 73 73 GLY CA C 73 45.373 45.561 -0.188 1 1 791 . 12 1 1 A 73 73 GLY N N 73 114.015 107.005 7.010 1 1 792 . 12 1 1 A 74 74 LEU H H 74 7.672 7.371 0.301 1 1 793 . 12 1 1 A 74 74 LEU HA H 74 4.768 4.660 0.108 1 1 803 . 12 1 1 A 74 74 LEU C C 74 179.964 176.971 2.993 1 1 804 . 12 1 1 A 74 74 LEU CA C 74 54.682 53.858 0.824 1 1 805 . 12 1 1 A 74 74 LEU CB C 74 42.355 43.352 -0.997 1 1 809 . 12 1 1 A 74 74 LEU N N 74 118.933 120.940 -2.007 1 1 810 . 12 1 1 A 75 75 THR H H 75 8.911 8.858 0.053 1 1 811 . 12 1 1 A 75 75 THR HA H 75 4.799 4.720 0.079 1 1 816 . 12 1 1 A 75 75 THR C C 75 174.971 175.433 -0.462 1 1 817 . 12 1 1 A 75 75 THR CA C 75 60.571 60.558 0.013 1 1 818 . 12 1 1 A 75 75 THR CB C 75 71.058 71.092 -0.034 1 1 820 . 12 1 1 A 75 75 THR N N 75 113.687 116.639 -2.952 1 1 821 . 12 1 1 A 76 76 HIS H H 76 9.474 9.174 0.300 1 1 822 . 12 1 1 A 76 76 HIS HA H 76 3.997 4.138 -0.141 1 1 826 . 12 1 1 A 76 76 HIS C C 76 176.917 176.852 0.065 1 1 827 . 12 1 1 A 76 76 HIS CA C 76 61.208 60.616 0.592 1 1 828 . 12 1 1 A 76 76 HIS CB C 76 29.729 30.522 -0.793 1 1 830 . 12 1 1 A 76 76 HIS N N 76 122.022 122.126 -0.104 1 1 831 . 12 1 1 A 77 77 ALA H H 77 8.457 8.152 0.305 1 1 832 . 12 1 1 A 77 77 ALA HA H 77 3.946 3.618 0.328 1 1 836 . 12 1 1 A 77 77 ALA C C 77 181.502 179.668 1.834 1 1 837 . 12 1 1 A 77 77 ALA CA C 77 55.282 55.220 0.062 1 1 838 . 12 1 1 A 77 77 ALA CB C 77 18.162 18.119 0.043 1 1 839 . 12 1 1 A 77 77 ALA N N 77 119.389 120.870 -1.481 1 1 840 . 12 1 1 A 78 78 GLN H H 78 7.991 7.868 0.123 1 1 841 . 12 1 1 A 78 78 GLN HA H 78 4.029 4.027 0.002 1 1 848 . 12 1 1 A 78 78 GLN C C 78 179.215 178.935 0.280 1 1 849 . 12 1 1 A 78 78 GLN CA C 78 58.562 58.791 -0.229 1 1 850 . 12 1 1 A 78 78 GLN CB C 78 29.592 28.506 1.086 1 1 852 . 12 1 1 A 78 78 GLN N N 78 117.510 117.857 -0.347 1 1 854 . 12 1 1 A 79 79 ALA H H 79 8.367 8.370 -0.003 1 1 855 . 12 1 1 A 79 79 ALA HA H 79 3.775 4.074 -0.299 1 1 859 . 12 1 1 A 79 79 ALA C C 79 178.754 178.895 -0.141 1 1 860 . 12 1 1 A 79 79 ALA CA C 79 55.828 54.167 1.661 1 1 861 . 12 1 1 A 79 79 ALA CB C 79 18.733 18.502 0.231 1 1 862 . 12 1 1 A 79 79 ALA N N 79 123.463 121.840 1.623 1 1 863 . 12 1 1 A 80 80 VAL H H 80 8.228 7.095 1.133 1 1 864 . 12 1 1 A 80 80 VAL HA H 80 3.510 3.738 -0.228 1 1 872 . 12 1 1 A 80 80 VAL C C 80 179.087 177.999 1.088 1 1 873 . 12 1 1 A 80 80 VAL CA C 80 66.912 65.494 1.418 1 1 874 . 12 1 1 A 80 80 VAL CB C 80 31.781 31.605 0.176 1 1 877 . 12 1 1 A 80 80 VAL N N 80 116.720 116.652 0.068 1 1 878 . 12 1 1 A 81 81 GLU H H 81 7.834 8.011 -0.177 1 1 879 . 12 1 1 A 81 81 GLU HA H 81 4.195 4.017 0.178 1 1 884 . 12 1 1 A 81 81 GLU C C 81 178.847 178.593 0.254 1 1 885 . 12 1 1 A 81 81 GLU CA C 81 59.100 59.208 -0.108 1 1 886 . 12 1 1 A 81 81 GLU CB C 81 28.818 29.153 -0.335 1 1 888 . 12 1 1 A 81 81 GLU N N 81 121.198 120.004 1.194 1 1 889 . 12 1 1 A 82 82 ARG H H 82 8.004 8.043 -0.039 1 1 890 . 12 1 1 A 82 82 ARG HA H 82 4.021 4.065 -0.044 1 1 897 . 12 1 1 A 82 82 ARG C C 82 179.863 178.729 1.134 1 1 898 . 12 1 1 A 82 82 ARG CA C 82 58.487 58.927 -0.440 1 1 899 . 12 1 1 A 82 82 ARG CB C 82 29.026 29.954 -0.928 1 1 902 . 12 1 1 A 82 82 ARG N N 82 119.267 119.248 0.019 1 1 903 . 12 1 1 A 83 83 ILE H H 83 7.875 7.814 0.061 1 1 904 . 12 1 1 A 83 83 ILE HA H 83 3.467 3.817 -0.350 1 1 914 . 12 1 1 A 83 83 ILE C C 83 179.211 178.168 1.043 1 1 915 . 12 1 1 A 83 83 ILE CA C 83 65.491 65.145 0.346 1 1 916 . 12 1 1 A 83 83 ILE CB C 83 38.055 37.650 0.405 1 1 920 . 12 1 1 A 83 83 ILE N N 83 120.039 121.352 -1.313 1 1 921 . 12 1 1 A 84 84 ARG H H 84 8.207 8.073 0.134 1 1 922 . 12 1 1 A 84 84 ARG HA H 84 4.125 4.144 -0.019 1 1 929 . 12 1 1 A 84 84 ARG C C 84 179.062 177.333 1.729 1 1 930 . 12 1 1 A 84 84 ARG CA C 84 59.643 58.652 0.991 1 1 931 . 12 1 1 A 84 84 ARG CB C 84 30.197 30.241 -0.044 1 1 934 . 12 1 1 A 84 84 ARG N N 84 121.315 120.538 0.777 1 1 935 . 12 1 1 A 85 85 ALA H H 85 8.366 8.169 0.197 1 1 936 . 12 1 1 A 85 85 ALA HA H 85 4.241 4.234 0.007 1 1 940 . 12 1 1 A 85 85 ALA C C 85 179.042 178.289 0.753 1 1 941 . 12 1 1 A 85 85 ALA CA C 85 53.695 52.976 0.719 1 1 942 . 12 1 1 A 85 85 ALA CB C 85 18.806 18.434 0.372 1 1 943 . 12 1 1 A 85 85 ALA N N 85 120.166 120.318 -0.152 1 1 944 . 12 1 1 A 86 86 GLY H H 86 7.470 8.180 -0.710 1 1 945 . 12 1 1 A 86 86 GLY HA2 H 86 4.134 3.941 0.193 1 1 946 . 12 1 1 A 86 86 GLY HA3 H 86 4.134 3.947 0.187 1 1 947 . 12 1 1 A 86 86 GLY C C 86 174.699 174.502 0.197 1 1 948 . 12 1 1 A 86 86 GLY CA C 86 45.902 45.266 0.636 1 1 949 . 12 1 1 A 86 86 GLY N N 86 104.067 107.543 -3.476 1 1 950 . 12 1 1 A 87 87 GLY H H 87 7.688 8.207 -0.519 1 1 951 . 12 1 1 A 87 87 GLY HA2 H 87 4.528 4.045 0.483 1 1 952 . 12 1 1 A 87 87 GLY HA3 H 87 3.835 4.048 -0.213 1 1 953 . 12 1 1 A 87 87 GLY C C 87 173.611 174.288 -0.677 1 1 954 . 12 1 1 A 87 87 GLY CA C 87 44.677 44.971 -0.294 1 1 955 . 12 1 1 A 87 87 GLY N N 87 107.458 107.319 0.139 1 1 956 . 12 1 1 A 88 88 PRO HA H 88 4.306 4.453 -0.147 1 1 963 . 12 1 1 A 88 88 PRO C C 88 175.247 176.116 -0.869 1 1 964 . 12 1 1 A 88 88 PRO CA C 88 64.596 64.218 0.378 1 1 965 . 12 1 1 A 88 88 PRO CB C 88 32.405 32.030 0.375 1 1 968 . 12 1 1 A 89 89 GLN H H 89 7.606 8.047 -0.441 1 1 969 . 12 1 1 A 89 89 GLN HA H 89 5.343 4.903 0.440 1 1 976 . 12 1 1 A 89 89 GLN C C 89 173.750 174.646 -0.896 1 1 977 . 12 1 1 A 89 89 GLN CA C 89 54.626 54.818 -0.192 1 1 978 . 12 1 1 A 89 89 GLN CB C 89 31.870 30.650 1.220 1 1 980 . 12 1 1 A 89 89 GLN N N 89 116.964 118.809 -1.845 1 1 982 . 12 1 1 A 90 90 LEU H H 90 8.610 8.299 0.311 1 1 983 . 12 1 1 A 90 90 LEU HA H 90 4.757 5.229 -0.472 1 1 993 . 12 1 1 A 90 90 LEU C C 90 173.607 174.187 -0.580 1 1 994 . 12 1 1 A 90 90 LEU CA C 90 53.730 53.037 0.693 1 1 995 . 12 1 1 A 90 90 LEU CB C 90 45.549 44.911 0.638 1 1 999 . 12 1 1 A 90 90 LEU N N 90 124.460 124.754 -0.294 1 1 1000 . 12 1 1 A 91 91 HIS H H 91 8.826 8.834 -0.008 1 1 1001 . 12 1 1 A 91 91 HIS HA H 91 5.207 5.546 -0.339 1 1 1006 . 12 1 1 A 91 91 HIS C C 91 174.745 173.256 1.489 1 1 1007 . 12 1 1 A 91 91 HIS CA C 91 55.093 53.371 1.722 1 1 1008 . 12 1 1 A 91 91 HIS CB C 91 32.686 32.459 0.227 1 1 1011 . 12 1 1 A 91 91 HIS N N 91 126.871 125.926 0.945 1 1 1012 . 12 1 1 A 92 92 LEU H H 92 9.024 8.515 0.509 1 1 1013 . 12 1 1 A 92 92 LEU HA H 92 5.203 4.918 0.285 1 1 1023 . 12 1 1 A 92 92 LEU C C 92 175.889 175.507 0.382 1 1 1024 . 12 1 1 A 92 92 LEU CA C 92 52.955 53.462 -0.507 1 1 1025 . 12 1 1 A 92 92 LEU CB C 92 46.233 43.682 2.551 1 1 1029 . 12 1 1 A 92 92 LEU N N 92 125.837 128.490 -2.653 1 1 1030 . 12 1 1 A 93 93 VAL H H 93 7.739 8.627 -0.888 1 1 1031 . 12 1 1 A 93 93 VAL HA H 93 4.568 4.490 0.078 1 1 1039 . 12 1 1 A 93 93 VAL C C 93 174.538 174.878 -0.340 1 1 1040 . 12 1 1 A 93 93 VAL CA C 93 62.666 62.074 0.592 1 1 1041 . 12 1 1 A 93 93 VAL CB C 93 32.838 31.298 1.540 1 1 1044 . 12 1 1 A 93 93 VAL N N 93 120.566 125.253 -4.687 1 1 1045 . 12 1 1 A 94 94 ILE H H 94 8.965 8.635 0.330 1 1 1046 . 12 1 1 A 94 94 ILE HA H 94 5.152 4.807 0.345 1 1 1056 . 12 1 1 A 94 94 ILE C C 94 174.723 174.222 0.501 1 1 1057 . 12 1 1 A 94 94 ILE CA C 94 56.360 59.095 -2.735 1 1 1058 . 12 1 1 A 94 94 ILE CB C 94 39.214 40.487 -1.273 1 1 1062 . 12 1 1 A 94 94 ILE N N 94 128.952 128.319 0.633 1 1 1063 . 12 1 1 A 95 95 ARG H H 95 8.286 8.352 -0.066 1 1 1064 . 12 1 1 A 95 95 ARG HA H 95 4.715 4.676 0.039 1 1 1071 . 12 1 1 A 95 95 ARG C C 95 173.665 175.000 -1.335 1 1 1072 . 12 1 1 A 95 95 ARG CA C 95 54.982 54.620 0.362 1 1 1073 . 12 1 1 A 95 95 ARG CB C 95 34.833 33.355 1.478 1 1 1076 . 12 1 1 A 95 95 ARG N N 95 120.920 126.081 -5.161 1 1 1077 . 12 1 1 A 96 96 ARG H H 96 9.238 8.943 0.295 1 1 1078 . 12 1 1 A 96 96 ARG HA H 96 4.984 4.388 0.596 1 1 1086 . 12 1 1 A 96 96 ARG C C 96 174.582 174.851 -0.269 1 1 1087 . 12 1 1 A 96 96 ARG CA C 96 53.219 54.460 -1.241 1 1 1088 . 12 1 1 A 96 96 ARG CB C 96 31.369 31.398 -0.029 1 1 1091 . 12 1 1 A 96 96 ARG N N 96 129.955 128.901 1.054 1 1 1093 . 12 1 1 A 97 97 PRO HA H 97 4.424 4.590 -0.166 1 1 1100 . 12 1 1 A 97 97 PRO C C 97 176.289 175.907 0.382 1 1 1101 . 12 1 1 A 97 97 PRO CA C 97 63.322 62.212 1.110 1 1 1102 . 12 1 1 A 97 97 PRO CB C 97 32.240 33.130 -0.890 1 1 1105 . 12 1 1 A 98 98 LEU H H 98 8.325 8.436 -0.111 1 1 1106 . 12 1 1 A 98 98 LEU HA H 98 4.399 4.562 -0.163 1 1 1116 . 12 1 1 A 98 98 LEU C C 98 177.395 177.189 0.206 1 1 1117 . 12 1 1 A 98 98 LEU CA C 98 55.165 54.363 0.802 1 1 1118 . 12 1 1 A 98 98 LEU CB C 98 42.419 42.984 -0.565 1 1 1122 . 12 1 1 A 98 98 LEU N N 98 122.396 123.277 -0.881 1 1 1123 . 12 1 1 A 99 99 SER H H 99 8.333 8.935 -0.602 1 1 1124 . 12 1 1 A 99 99 SER HA H 99 4.483 4.401 0.082 1 1 1127 . 12 1 1 A 99 99 SER C C 99 174.489 174.347 0.142 1 1 1128 . 12 1 1 A 99 99 SER CA C 99 58.138 59.256 -1.118 1 1 1129 . 12 1 1 A 99 99 SER CB C 99 63.846 63.314 0.532 1 1 1130 . 12 1 1 A 99 99 SER N N 99 116.892 119.713 -2.821 1 1 1131 . 12 1 1 A 100 100 GLY H H 100 8.253 7.820 0.433 1 1 1132 . 12 1 1 A 100 100 GLY HA2 H 100 4.177 4.075 0.102 1 1 1133 . 12 1 1 A 100 100 GLY HA3 H 100 4.101 4.075 0.026 1 1 1134 . 12 1 1 A 100 100 GLY C C 100 171.838 173.036 -1.198 1 1 1135 . 12 1 1 A 100 100 GLY CA C 100 44.679 44.481 0.198 1 1 1136 . 12 1 1 A 100 100 GLY N N 100 110.703 108.883 1.820 1 1 1137 . 12 1 1 A 101 101 PRO HA H 101 4.480 4.690 -0.210 1 1 1144 . 12 1 1 A 101 101 PRO C C 101 177.411 175.743 1.668 1 1 1145 . 12 1 1 A 101 101 PRO CA C 101 63.312 62.820 0.492 1 1 1146 . 12 1 1 A 101 101 PRO CB C 101 32.158 31.820 0.338 1 1 1149 . 12 1 1 A 102 102 SER H H 102 8.517 8.703 -0.186 1 1 1150 . 12 1 1 A 102 102 SER C C 102 174.655 175.012 -0.357 1 1 1151 . 12 1 1 A 102 102 SER CA C 102 58.438 57.759 0.679 1 1 1152 . 12 1 1 A 102 102 SER CB C 102 63.970 64.947 -0.977 1 1 1 . 13 1 1 A 2 2 SER HA H 2 4.493 4.425 0.068 1 1 4 . 13 1 1 A 2 2 SER C C 2 174.671 174.240 0.431 1 1 5 . 13 1 1 A 2 2 SER CA C 2 58.438 58.963 -0.525 1 1 6 . 13 1 1 A 2 2 SER CB C 2 63.558 64.238 -0.680 1 1 7 . 13 1 1 A 3 3 SER H H 3 8.324 8.652 -0.328 1 1 8 . 13 1 1 A 3 3 SER HA H 3 4.493 4.678 -0.185 1 1 11 . 13 1 1 A 3 3 SER C C 3 173.918 173.622 0.296 1 1 12 . 13 1 1 A 3 3 SER CA C 3 58.455 58.707 -0.252 1 1 13 . 13 1 1 A 3 3 SER CB C 3 63.929 63.769 0.160 1 1 14 . 13 1 1 A 3 3 SER N N 3 117.862 118.761 -0.899 1 1 15 . 13 1 1 A 4 4 GLY H H 4 8.045 8.343 -0.298 1 1 16 . 13 1 1 A 4 4 GLY C C 4 179.001 173.451 5.550 1 1 17 . 13 1 1 A 4 4 GLY CA C 4 46.201 45.543 0.658 1 1 18 . 13 1 1 A 4 4 GLY N N 4 116.862 112.470 4.392 1 1 19 . 13 1 1 A 6 6 SER HA H 6 4.461 5.029 -0.568 1 1 22 . 13 1 1 A 6 6 SER C C 6 175.170 174.279 0.891 1 1 23 . 13 1 1 A 6 6 SER CA C 6 58.755 57.108 1.647 1 1 24 . 13 1 1 A 6 6 SER CB C 6 63.862 64.731 -0.869 1 1 25 . 13 1 1 A 7 7 GLY H H 7 8.432 8.429 0.003 1 1 26 . 13 1 1 A 7 7 GLY HA2 H 7 3.966 4.126 -0.160 1 1 27 . 13 1 1 A 7 7 GLY C C 7 174.309 173.632 0.677 1 1 28 . 13 1 1 A 7 7 GLY CA C 7 45.408 45.211 0.197 1 1 29 . 13 1 1 A 7 7 GLY N N 7 110.678 113.667 -2.989 1 1 30 . 13 1 1 A 8 8 GLN H H 8 8.210 7.923 0.287 1 1 31 . 13 1 1 A 8 8 GLN HA H 8 4.324 4.872 -0.548 1 1 38 . 13 1 1 A 8 8 GLN C C 8 176.037 174.505 1.532 1 1 39 . 13 1 1 A 8 8 GLN CA C 8 55.970 53.786 2.184 1 1 40 . 13 1 1 A 8 8 GLN CB C 8 29.562 32.831 -3.269 1 1 42 . 13 1 1 A 8 8 GLN N N 8 119.977 118.751 1.226 1 1 44 . 13 1 1 A 9 9 ALA H H 9 8.394 8.432 -0.038 1 1 45 . 13 1 1 A 9 9 ALA HA H 9 4.319 4.901 -0.582 1 1 49 . 13 1 1 A 9 9 ALA C C 9 177.635 176.592 1.043 1 1 50 . 13 1 1 A 9 9 ALA CA C 9 52.531 50.754 1.777 1 1 51 . 13 1 1 A 9 9 ALA CB C 9 19.136 20.232 -1.096 1 1 52 . 13 1 1 A 9 9 ALA N N 9 125.301 124.317 0.984 1 1 53 . 13 1 1 A 10 10 SER H H 10 8.259 8.762 -0.503 1 1 54 . 13 1 1 A 10 10 SER HA H 10 4.440 4.947 -0.507 1 1 57 . 13 1 1 A 10 10 SER C C 10 175.138 174.118 1.020 1 1 58 . 13 1 1 A 10 10 SER CA C 10 58.649 56.137 2.512 1 1 59 . 13 1 1 A 10 10 SER CB C 10 63.888 65.329 -1.441 1 1 60 . 13 1 1 A 10 10 SER N N 10 114.874 118.463 -3.589 1 1 61 . 13 1 1 A 11 11 GLY H H 11 8.493 8.617 -0.124 1 1 62 . 13 1 1 A 11 11 GLY HA2 H 11 4.039 3.836 0.203 1 1 63 . 13 1 1 A 11 11 GLY HA3 H 11 4.039 3.846 0.193 1 1 64 . 13 1 1 A 11 11 GLY C C 11 173.678 174.310 -0.632 1 1 65 . 13 1 1 A 11 11 GLY CA C 11 45.531 46.615 -1.084 1 1 66 . 13 1 1 A 11 11 GLY N N 11 110.301 112.743 -2.442 1 1 67 . 13 1 1 A 12 12 HIS H H 12 7.970 7.134 0.836 1 1 68 . 13 1 1 A 12 12 HIS HA H 12 5.442 4.925 0.517 1 1 73 . 13 1 1 A 12 12 HIS C C 12 175.304 173.937 1.367 1 1 74 . 13 1 1 A 12 12 HIS CA C 12 55.095 53.869 1.226 1 1 75 . 13 1 1 A 12 12 HIS CB C 12 31.849 32.806 -0.957 1 1 78 . 13 1 1 A 12 12 HIS N N 12 119.432 115.936 3.496 1 1 79 . 13 1 1 A 13 13 PHE H H 13 8.940 8.559 0.381 1 1 80 . 13 1 1 A 13 13 PHE HA H 13 5.072 5.444 -0.372 1 1 88 . 13 1 1 A 13 13 PHE C C 13 172.688 172.811 -0.123 1 1 89 . 13 1 1 A 13 13 PHE CA C 13 56.269 55.307 0.962 1 1 90 . 13 1 1 A 13 13 PHE CB C 13 40.835 41.781 -0.946 1 1 96 . 13 1 1 A 13 13 PHE N N 13 118.413 115.869 2.544 1 1 97 . 13 1 1 A 14 14 SER H H 14 8.709 9.259 -0.550 1 1 98 . 13 1 1 A 14 14 SER HA H 14 5.580 5.404 0.176 1 1 101 . 13 1 1 A 14 14 SER C C 14 174.119 174.068 0.051 1 1 102 . 13 1 1 A 14 14 SER CA C 14 56.974 55.534 1.440 1 1 103 . 13 1 1 A 14 14 SER CB C 14 65.778 66.293 -0.515 1 1 104 . 13 1 1 A 14 14 SER N N 14 115.082 113.835 1.247 1 1 105 . 13 1 1 A 15 15 VAL H H 15 8.801 8.292 0.509 1 1 106 . 13 1 1 A 15 15 VAL HA H 15 4.373 4.825 -0.452 1 1 114 . 13 1 1 A 15 15 VAL C C 15 173.002 174.777 -1.775 1 1 115 . 13 1 1 A 15 15 VAL CA C 15 61.312 61.216 0.096 1 1 116 . 13 1 1 A 15 15 VAL CB C 15 36.461 34.919 1.542 1 1 119 . 13 1 1 A 15 15 VAL N N 15 121.148 121.169 -0.021 1 1 120 . 13 1 1 A 16 16 GLU H H 16 8.383 8.972 -0.589 1 1 121 . 13 1 1 A 16 16 GLU HA H 16 5.299 5.413 -0.114 1 1 126 . 13 1 1 A 16 16 GLU C C 16 175.408 175.644 -0.236 1 1 127 . 13 1 1 A 16 16 GLU CA C 16 54.594 55.220 -0.626 1 1 128 . 13 1 1 A 16 16 GLU CB C 16 31.993 31.985 0.008 1 1 130 . 13 1 1 A 16 16 GLU N N 16 125.925 126.829 -0.904 1 1 131 . 13 1 1 A 17 17 LEU H H 17 9.172 8.732 0.440 1 1 132 . 13 1 1 A 17 17 LEU HA H 17 5.000 5.213 -0.213 1 1 142 . 13 1 1 A 17 17 LEU C C 17 175.596 175.949 -0.353 1 1 143 . 13 1 1 A 17 17 LEU CA C 17 52.919 53.560 -0.641 1 1 144 . 13 1 1 A 17 17 LEU CB C 17 47.317 46.101 1.216 1 1 148 . 13 1 1 A 17 17 LEU N N 17 122.761 126.244 -3.483 1 1 149 . 13 1 1 A 18 18 VAL H H 18 8.546 8.924 -0.378 1 1 150 . 13 1 1 A 18 18 VAL HA H 18 4.831 4.642 0.189 1 1 158 . 13 1 1 A 18 18 VAL C C 18 175.783 175.915 -0.132 1 1 159 . 13 1 1 A 18 18 VAL CA C 18 61.277 61.155 0.122 1 1 160 . 13 1 1 A 18 18 VAL CB C 18 33.600 33.639 -0.039 1 1 163 . 13 1 1 A 18 18 VAL N N 18 122.523 122.271 0.252 1 1 164 . 13 1 1 A 19 19 ARG H H 19 8.495 8.074 0.421 1 1 165 . 13 1 1 A 19 19 ARG HA H 19 2.868 3.085 -0.217 1 1 172 . 13 1 1 A 19 19 ARG C C 19 176.248 175.814 0.434 1 1 173 . 13 1 1 A 19 19 ARG CA C 19 58.138 57.202 0.936 1 1 174 . 13 1 1 A 19 19 ARG CB C 19 30.839 30.489 0.350 1 1 177 . 13 1 1 A 19 19 ARG N N 19 127.015 128.383 -1.368 1 1 178 . 13 1 1 A 20 20 GLY H H 20 7.244 7.900 -0.656 1 1 179 . 13 1 1 A 20 20 GLY HA2 H 20 4.504 4.021 0.483 1 1 180 . 13 1 1 A 20 20 GLY HA3 H 20 3.750 4.033 -0.283 1 1 181 . 13 1 1 A 20 20 GLY C C 20 175.286 174.604 0.682 1 1 182 . 13 1 1 A 20 20 GLY CA C 20 44.131 44.414 -0.283 1 1 183 . 13 1 1 A 20 20 GLY N N 20 112.266 113.256 -0.990 1 1 184 . 13 1 1 A 21 21 TYR HA H 21 4.219 3.917 0.302 1 1 191 . 13 1 1 A 21 21 TYR C C 21 176.309 175.516 0.793 1 1 192 . 13 1 1 A 21 21 TYR CA C 21 60.518 60.987 -0.469 1 1 193 . 13 1 1 A 21 21 TYR CB C 21 37.826 39.440 -1.614 1 1 198 . 13 1 1 A 22 22 ALA H H 22 8.272 7.912 0.360 1 1 199 . 13 1 1 A 22 22 ALA HA H 22 4.404 4.736 -0.332 1 1 203 . 13 1 1 A 22 22 ALA C C 22 177.312 177.556 -0.244 1 1 204 . 13 1 1 A 22 22 ALA CA C 22 50.816 50.798 0.018 1 1 205 . 13 1 1 A 22 22 ALA CB C 22 18.455 20.134 -1.679 1 1 206 . 13 1 1 A 22 22 ALA N N 22 121.539 119.177 2.362 1 1 207 . 13 1 1 A 23 23 GLY H H 23 7.495 8.814 -1.319 1 1 208 . 13 1 1 A 23 23 GLY HA2 H 23 4.541 3.948 0.593 1 1 209 . 13 1 1 A 23 23 GLY HA3 H 23 3.238 4.002 -0.764 1 1 210 . 13 1 1 A 23 23 GLY C C 23 175.043 175.302 -0.259 1 1 211 . 13 1 1 A 23 23 GLY CA C 23 44.897 44.889 0.008 1 1 212 . 13 1 1 A 23 23 GLY N N 23 106.744 114.188 -7.444 1 1 213 . 13 1 1 A 24 24 PHE H H 24 7.242 8.785 -1.543 1 1 214 . 13 1 1 A 24 24 PHE HA H 24 4.369 4.518 -0.149 1 1 222 . 13 1 1 A 24 24 PHE C C 24 175.902 176.170 -0.268 1 1 223 . 13 1 1 A 24 24 PHE CA C 24 60.347 58.610 1.737 1 1 224 . 13 1 1 A 24 24 PHE CB C 24 39.575 39.896 -0.321 1 1 230 . 13 1 1 A 25 25 GLY H H 25 8.820 8.526 0.294 1 1 231 . 13 1 1 A 25 25 GLY HA2 H 25 4.134 4.028 0.106 1 1 232 . 13 1 1 A 25 25 GLY HA3 H 25 3.913 4.032 -0.119 1 1 233 . 13 1 1 A 25 25 GLY C C 25 174.585 174.128 0.457 1 1 234 . 13 1 1 A 25 25 GLY CA C 25 47.030 45.972 1.058 1 1 235 . 13 1 1 A 25 25 GLY N N 25 107.899 108.256 -0.357 1 1 236 . 13 1 1 A 26 26 LEU H H 26 7.991 7.773 0.218 1 1 237 . 13 1 1 A 26 26 LEU HA H 26 4.990 4.855 0.135 1 1 247 . 13 1 1 A 26 26 LEU C C 26 174.135 174.793 -0.658 1 1 248 . 13 1 1 A 26 26 LEU CA C 26 53.906 53.476 0.430 1 1 249 . 13 1 1 A 26 26 LEU CB C 26 45.939 45.407 0.532 1 1 253 . 13 1 1 A 26 26 LEU N N 26 122.133 121.984 0.149 1 1 254 . 13 1 1 A 27 27 THR H H 27 8.657 8.826 -0.169 1 1 255 . 13 1 1 A 27 27 THR HA H 27 4.662 5.133 -0.471 1 1 260 . 13 1 1 A 27 27 THR C C 27 174.074 173.617 0.457 1 1 261 . 13 1 1 A 27 27 THR CA C 27 61.382 61.569 -0.187 1 1 262 . 13 1 1 A 27 27 THR CB C 27 70.010 71.230 -1.220 1 1 264 . 13 1 1 A 27 27 THR N N 27 121.262 122.491 -1.229 1 1 265 . 13 1 1 A 28 28 LEU H H 28 9.692 8.950 0.742 1 1 266 . 13 1 1 A 28 28 LEU HA H 28 5.297 5.065 0.232 1 1 276 . 13 1 1 A 28 28 LEU C C 28 175.414 176.037 -0.623 1 1 277 . 13 1 1 A 28 28 LEU CA C 28 53.219 53.600 -0.381 1 1 278 . 13 1 1 A 28 28 LEU CB C 28 45.049 43.657 1.392 1 1 282 . 13 1 1 A 28 28 LEU N N 28 128.374 126.451 1.923 1 1 283 . 13 1 1 A 29 29 GLY H H 29 8.818 8.858 -0.040 1 1 284 . 13 1 1 A 29 29 GLY HA2 H 29 4.089 4.075 0.014 1 1 285 . 13 1 1 A 29 29 GLY HA3 H 29 3.664 4.121 -0.457 1 1 286 . 13 1 1 A 29 29 GLY C C 29 171.700 174.022 -2.322 1 1 287 . 13 1 1 A 29 29 GLY CA C 29 44.086 44.572 -0.486 1 1 288 . 13 1 1 A 29 29 GLY N N 29 106.574 112.285 -5.711 1 1 289 . 13 1 1 A 30 30 GLY H H 30 8.339 8.192 0.147 1 1 290 . 13 1 1 A 30 30 GLY HA2 H 30 4.434 4.052 0.382 1 1 291 . 13 1 1 A 30 30 GLY HA3 H 30 3.554 4.061 -0.507 1 1 292 . 13 1 1 A 30 30 GLY C C 30 174.290 173.505 0.785 1 1 293 . 13 1 1 A 30 30 GLY CA C 30 44.879 44.432 0.447 1 1 294 . 13 1 1 A 30 30 GLY N N 30 107.245 112.073 -4.828 1 1 295 . 13 1 1 A 31 31 GLY H H 31 7.292 8.438 -1.146 1 1 296 . 13 1 1 A 31 31 GLY HA2 H 31 4.439 4.036 0.403 1 1 297 . 13 1 1 A 31 31 GLY HA3 H 31 4.000 4.056 -0.056 1 1 298 . 13 1 1 A 31 31 GLY C C 31 174.513 173.268 1.245 1 1 299 . 13 1 1 A 31 31 GLY CA C 31 43.589 44.432 -0.843 1 1 300 . 13 1 1 A 31 31 GLY N N 31 107.984 108.359 -0.375 1 1 301 . 13 1 1 A 32 32 ARG H H 32 8.065 8.310 -0.245 1 1 302 . 13 1 1 A 32 32 ARG HA H 32 4.380 4.436 -0.056 1 1 309 . 13 1 1 A 32 32 ARG C C 32 176.139 174.651 1.488 1 1 310 . 13 1 1 A 32 32 ARG CA C 32 57.354 56.338 1.016 1 1 311 . 13 1 1 A 32 32 ARG CB C 32 30.080 30.733 -0.653 1 1 314 . 13 1 1 A 32 32 ARG N N 32 121.733 120.995 0.738 1 1 315 . 13 1 1 A 33 33 ASP H H 33 8.916 8.538 0.378 1 1 316 . 13 1 1 A 33 33 ASP HA H 33 4.799 5.143 -0.344 1 1 319 . 13 1 1 A 33 33 ASP C C 33 176.381 176.537 -0.156 1 1 320 . 13 1 1 A 33 33 ASP CA C 33 53.783 52.466 1.317 1 1 321 . 13 1 1 A 33 33 ASP CB C 33 43.712 43.359 0.353 1 1 322 . 13 1 1 A 33 33 ASP N N 33 126.313 126.702 -0.389 1 1 323 . 13 1 1 A 34 34 VAL H H 34 8.372 8.658 -0.286 1 1 324 . 13 1 1 A 34 34 VAL HA H 34 3.943 3.909 0.034 1 1 329 . 13 1 1 A 34 34 VAL C C 34 176.591 176.751 -0.160 1 1 330 . 13 1 1 A 34 34 VAL CA C 34 64.644 64.686 -0.042 1 1 331 . 13 1 1 A 34 34 VAL CB C 34 31.796 31.787 0.009 1 1 333 . 13 1 1 A 34 34 VAL N N 34 121.465 124.503 -3.038 1 1 334 . 13 1 1 A 35 35 ALA H H 35 8.577 8.058 0.519 1 1 335 . 13 1 1 A 35 35 ALA HA H 35 4.386 4.389 -0.003 1 1 339 . 13 1 1 A 35 35 ALA C C 35 177.532 177.266 0.266 1 1 340 . 13 1 1 A 35 35 ALA CA C 35 52.589 52.496 0.093 1 1 341 . 13 1 1 A 35 35 ALA CB C 35 19.095 19.942 -0.847 1 1 342 . 13 1 1 A 35 35 ALA N N 35 123.222 121.719 1.503 1 1 343 . 13 1 1 A 36 36 GLY H H 36 7.816 7.613 0.203 1 1 344 . 13 1 1 A 36 36 GLY HA2 H 36 4.274 4.035 0.239 1 1 345 . 13 1 1 A 36 36 GLY HA3 H 36 3.723 4.038 -0.315 1 1 346 . 13 1 1 A 36 36 GLY C C 36 172.610 172.216 0.394 1 1 347 . 13 1 1 A 36 36 GLY CA C 36 45.161 46.019 -0.858 1 1 348 . 13 1 1 A 36 36 GLY N N 36 107.925 104.017 3.908 1 1 349 . 13 1 1 A 37 37 ASP H H 37 8.604 8.851 -0.247 1 1 350 . 13 1 1 A 37 37 ASP HA H 37 4.810 5.231 -0.421 1 1 353 . 13 1 1 A 37 37 ASP C C 37 176.081 175.462 0.619 1 1 354 . 13 1 1 A 37 37 ASP CA C 37 54.700 53.010 1.690 1 1 355 . 13 1 1 A 37 37 ASP CB C 37 41.076 41.930 -0.854 1 1 356 . 13 1 1 A 37 37 ASP N N 37 124.969 122.379 2.590 1 1 357 . 13 1 1 A 38 38 THR H H 38 7.679 8.449 -0.770 1 1 358 . 13 1 1 A 38 38 THR HA H 38 4.704 5.032 -0.328 1 1 363 . 13 1 1 A 38 38 THR C C 38 172.712 171.471 1.241 1 1 364 . 13 1 1 A 38 38 THR CA C 38 59.810 58.263 1.547 1 1 365 . 13 1 1 A 38 38 THR CB C 38 70.420 70.871 -0.451 1 1 367 . 13 1 1 A 38 38 THR N N 38 116.498 114.922 1.576 1 1 368 . 13 1 1 A 39 39 PRO HA H 39 4.305 4.616 -0.311 1 1 375 . 13 1 1 A 39 39 PRO C C 39 176.355 176.959 -0.604 1 1 376 . 13 1 1 A 39 39 PRO CA C 39 63.304 62.716 0.588 1 1 377 . 13 1 1 A 39 39 PRO CB C 39 32.703 31.633 1.070 1 1 380 . 13 1 1 A 40 40 LEU H H 40 8.247 8.168 0.079 1 1 381 . 13 1 1 A 40 40 LEU HA H 40 4.704 4.181 0.523 1 1 391 . 13 1 1 A 40 40 LEU C C 40 176.631 177.345 -0.714 1 1 392 . 13 1 1 A 40 40 LEU CA C 40 55.352 55.364 -0.012 1 1 393 . 13 1 1 A 40 40 LEU CB C 40 42.524 42.195 0.329 1 1 397 . 13 1 1 A 40 40 LEU N N 40 125.558 123.910 1.648 1 1 398 . 13 1 1 A 41 41 ALA H H 41 8.856 8.601 0.255 1 1 399 . 13 1 1 A 41 41 ALA HA H 41 5.465 5.084 0.381 1 1 403 . 13 1 1 A 41 41 ALA C C 41 176.658 176.251 0.407 1 1 404 . 13 1 1 A 41 41 ALA CA C 41 50.503 50.979 -0.476 1 1 405 . 13 1 1 A 41 41 ALA CB C 41 24.074 22.887 1.187 1 1 406 . 13 1 1 A 41 41 ALA N N 41 128.426 126.429 1.997 1 1 407 . 13 1 1 A 42 42 VAL H H 42 9.160 8.514 0.646 1 1 408 . 13 1 1 A 42 42 VAL HA H 42 3.803 4.104 -0.301 1 1 416 . 13 1 1 A 42 42 VAL C C 42 176.499 175.733 0.766 1 1 417 . 13 1 1 A 42 42 VAL CA C 42 64.196 63.706 0.490 1 1 418 . 13 1 1 A 42 42 VAL CB C 42 31.773 32.069 -0.296 1 1 421 . 13 1 1 A 42 42 VAL N N 42 119.342 122.961 -3.619 1 1 422 . 13 1 1 A 43 43 ARG H H 43 9.385 9.293 0.092 1 1 423 . 13 1 1 A 43 43 ARG HA H 43 4.527 4.454 0.073 1 1 430 . 13 1 1 A 43 43 ARG C C 43 175.332 175.761 -0.429 1 1 431 . 13 1 1 A 43 43 ARG CA C 43 55.340 57.065 -1.725 1 1 432 . 13 1 1 A 43 43 ARG CB C 43 32.242 32.126 0.116 1 1 435 . 13 1 1 A 43 43 ARG N N 43 131.043 128.222 2.821 1 1 436 . 13 1 1 A 44 44 GLY H H 44 7.872 7.422 0.450 1 1 437 . 13 1 1 A 44 44 GLY HA2 H 44 4.155 4.190 -0.035 1 1 438 . 13 1 1 A 44 44 GLY HA3 H 44 3.765 4.194 -0.429 1 1 439 . 13 1 1 A 44 44 GLY C C 44 170.284 171.799 -1.515 1 1 440 . 13 1 1 A 44 44 GLY CA C 44 45.602 44.040 1.562 1 1 441 . 13 1 1 A 44 44 GLY N N 44 107.517 107.514 0.003 1 1 442 . 13 1 1 A 45 45 LEU H H 45 8.455 9.575 -1.120 1 1 443 . 13 1 1 A 45 45 LEU HA H 45 4.915 4.927 -0.012 1 1 453 . 13 1 1 A 45 45 LEU C C 45 175.215 176.784 -1.569 1 1 454 . 13 1 1 A 45 45 LEU CA C 45 52.795 53.745 -0.950 1 1 455 . 13 1 1 A 45 45 LEU CB C 45 44.824 43.686 1.138 1 1 459 . 13 1 1 A 45 45 LEU N N 45 121.812 124.239 -2.427 1 1 460 . 13 1 1 A 46 46 LEU H H 46 7.582 9.022 -1.440 1 1 461 . 13 1 1 A 46 46 LEU HA H 46 4.208 4.412 -0.204 1 1 471 . 13 1 1 A 46 46 LEU C C 46 177.935 176.468 1.467 1 1 472 . 13 1 1 A 46 46 LEU CA C 46 54.984 55.949 -0.965 1 1 473 . 13 1 1 A 46 46 LEU CB C 46 42.815 42.346 0.469 1 1 477 . 13 1 1 A 46 46 LEU N N 46 124.670 128.527 -3.857 1 1 478 . 13 1 1 A 47 47 LYS H H 47 8.959 8.673 0.286 1 1 479 . 13 1 1 A 47 47 LYS HA H 47 3.875 4.079 -0.204 1 1 488 . 13 1 1 A 47 47 LYS C C 47 176.699 176.981 -0.282 1 1 489 . 13 1 1 A 47 47 LYS CA C 47 58.861 58.131 0.730 1 1 490 . 13 1 1 A 47 47 LYS CB C 47 32.076 32.238 -0.162 1 1 494 . 13 1 1 A 47 47 LYS N N 47 129.726 128.052 1.674 1 1 495 . 13 1 1 A 48 48 ASP H H 48 8.845 9.020 -0.175 1 1 496 . 13 1 1 A 48 48 ASP HA H 48 4.395 4.174 0.221 1 1 499 . 13 1 1 A 48 48 ASP C C 48 175.442 175.371 0.071 1 1 500 . 13 1 1 A 48 48 ASP CA C 48 56.632 55.353 1.279 1 1 501 . 13 1 1 A 48 48 ASP CB C 48 39.740 39.419 0.321 1 1 502 . 13 1 1 A 48 48 ASP N N 48 119.883 120.689 -0.806 1 1 503 . 13 1 1 A 49 49 GLY H H 49 7.947 8.020 -0.073 1 1 504 . 13 1 1 A 49 49 GLY HA2 H 49 4.578 4.272 0.306 1 1 505 . 13 1 1 A 49 49 GLY HA3 H 49 3.748 4.281 -0.533 1 1 506 . 13 1 1 A 49 49 GLY C C 49 172.008 174.717 -2.709 1 1 507 . 13 1 1 A 49 49 GLY CA C 49 45.000 44.103 0.897 1 1 508 . 13 1 1 A 49 49 GLY N N 49 106.565 105.996 0.569 1 1 509 . 13 1 1 A 50 50 PRO HA H 50 4.268 4.404 -0.136 1 1 516 . 13 1 1 A 50 50 PRO C C 50 179.273 178.543 0.730 1 1 517 . 13 1 1 A 50 50 PRO CA C 50 65.791 64.870 0.921 1 1 518 . 13 1 1 A 50 50 PRO CB C 50 32.532 32.033 0.499 1 1 521 . 13 1 1 A 51 51 ALA H H 51 7.805 8.188 -0.383 1 1 522 . 13 1 1 A 51 51 ALA HA H 51 4.167 4.155 0.012 1 1 526 . 13 1 1 A 51 51 ALA C C 51 178.947 179.420 -0.473 1 1 527 . 13 1 1 A 51 51 ALA CA C 51 55.079 55.311 -0.232 1 1 528 . 13 1 1 A 51 51 ALA CB C 51 18.988 18.895 0.093 1 1 529 . 13 1 1 A 51 51 ALA N N 51 119.037 119.401 -0.364 1 1 530 . 13 1 1 A 52 52 GLN H H 52 9.614 8.201 1.413 1 1 531 . 13 1 1 A 52 52 GLN HA H 52 3.969 3.989 -0.020 1 1 538 . 13 1 1 A 52 52 GLN C C 52 178.509 178.329 0.180 1 1 539 . 13 1 1 A 52 52 GLN CA C 52 59.529 59.235 0.294 1 1 540 . 13 1 1 A 52 52 GLN CB C 52 29.107 28.291 0.816 1 1 542 . 13 1 1 A 52 52 GLN N N 52 122.017 118.203 3.814 1 1 544 . 13 1 1 A 53 53 ARG H H 53 8.524 8.065 0.459 1 1 545 . 13 1 1 A 53 53 ARG HA H 53 3.996 4.010 -0.014 1 1 552 . 13 1 1 A 53 53 ARG C C 53 178.479 179.009 -0.530 1 1 553 . 13 1 1 A 53 53 ARG CA C 53 58.825 59.369 -0.544 1 1 554 . 13 1 1 A 53 53 ARG CB C 53 30.546 30.004 0.542 1 1 557 . 13 1 1 A 53 53 ARG N N 53 116.703 118.462 -1.759 1 1 558 . 13 1 1 A 54 54 CYS H H 54 7.589 7.574 0.015 1 1 559 . 13 1 1 A 54 54 CYS HA H 54 4.641 4.310 0.331 1 1 562 . 13 1 1 A 54 54 CYS C C 54 175.840 175.128 0.712 1 1 563 . 13 1 1 A 54 54 CYS CA C 54 59.724 60.300 -0.576 1 1 564 . 13 1 1 A 54 54 CYS CB C 54 27.419 28.113 -0.694 1 1 565 . 13 1 1 A 54 54 CYS N N 54 113.424 117.480 -4.056 1 1 566 . 13 1 1 A 55 55 GLY H H 55 7.436 7.533 -0.097 1 1 567 . 13 1 1 A 55 55 GLY HA2 H 55 4.082 3.951 0.131 1 1 568 . 13 1 1 A 55 55 GLY HA3 H 55 4.082 3.962 0.120 1 1 569 . 13 1 1 A 55 55 GLY C C 55 174.435 175.786 -1.351 1 1 570 . 13 1 1 A 55 55 GLY CA C 55 46.977 45.573 1.404 1 1 571 . 13 1 1 A 55 55 GLY N N 55 109.572 108.511 1.061 1 1 572 . 13 1 1 A 56 56 ARG H H 56 7.860 8.274 -0.414 1 1 573 . 13 1 1 A 56 56 ARG HA H 56 4.472 3.977 0.495 1 1 580 . 13 1 1 A 56 56 ARG C C 56 174.959 177.170 -2.211 1 1 581 . 13 1 1 A 56 56 ARG CA C 56 55.687 58.736 -3.049 1 1 582 . 13 1 1 A 56 56 ARG CB C 56 32.785 30.080 2.705 1 1 585 . 13 1 1 A 56 56 ARG N N 56 118.137 120.227 -2.090 1 1 586 . 13 1 1 A 57 57 LEU H H 57 8.219 7.884 0.335 1 1 587 . 13 1 1 A 57 57 LEU HA H 57 4.926 4.569 0.357 1 1 597 . 13 1 1 A 57 57 LEU C C 57 175.333 176.445 -1.112 1 1 598 . 13 1 1 A 57 57 LEU CA C 57 53.043 54.172 -1.129 1 1 599 . 13 1 1 A 57 57 LEU CB C 57 46.459 42.559 3.900 1 1 603 . 13 1 1 A 57 57 LEU N N 57 117.496 120.035 -2.539 1 1 604 . 13 1 1 A 58 58 GLU H H 58 9.053 9.244 -0.191 1 1 605 . 13 1 1 A 58 58 GLU HA H 58 4.460 4.876 -0.416 1 1 610 . 13 1 1 A 58 58 GLU C C 58 175.683 176.146 -0.463 1 1 611 . 13 1 1 A 58 58 GLU CA C 58 54.144 54.127 0.017 1 1 612 . 13 1 1 A 58 58 GLU CB C 58 33.286 33.545 -0.259 1 1 614 . 13 1 1 A 58 58 GLU N N 58 121.883 123.412 -1.529 1 1 615 . 13 1 1 A 59 59 VAL H H 59 8.727 8.628 0.099 1 1 616 . 13 1 1 A 59 59 VAL HA H 59 3.213 3.544 -0.331 1 1 624 . 13 1 1 A 59 59 VAL C C 59 177.728 177.036 0.692 1 1 625 . 13 1 1 A 59 59 VAL CA C 59 65.823 65.126 0.697 1 1 626 . 13 1 1 A 59 59 VAL CB C 59 31.151 31.379 -0.228 1 1 629 . 13 1 1 A 59 59 VAL N N 59 121.698 122.784 -1.086 1 1 630 . 13 1 1 A 60 60 GLY H H 60 9.172 8.676 0.496 1 1 631 . 13 1 1 A 60 60 GLY HA2 H 60 4.500 3.991 0.509 1 1 632 . 13 1 1 A 60 60 GLY HA3 H 60 3.469 3.998 -0.529 1 1 633 . 13 1 1 A 60 60 GLY C C 60 173.646 174.153 -0.507 1 1 634 . 13 1 1 A 60 60 GLY CA C 60 44.148 45.055 -0.907 1 1 635 . 13 1 1 A 60 60 GLY N N 60 117.734 115.290 2.444 1 1 636 . 13 1 1 A 61 61 ASP H H 61 7.877 8.263 -0.386 1 1 637 . 13 1 1 A 61 61 ASP HA H 61 4.551 4.611 -0.060 1 1 640 . 13 1 1 A 61 61 ASP C C 61 175.437 175.563 -0.126 1 1 641 . 13 1 1 A 61 61 ASP CA C 61 56.057 55.342 0.715 1 1 642 . 13 1 1 A 61 61 ASP CB C 61 40.660 41.469 -0.809 1 1 643 . 13 1 1 A 61 61 ASP N N 61 121.399 121.846 -0.447 1 1 644 . 13 1 1 A 62 62 LEU H H 62 8.773 8.616 0.157 1 1 645 . 13 1 1 A 62 62 LEU HA H 62 4.713 4.865 -0.152 1 1 655 . 13 1 1 A 62 62 LEU C C 62 176.560 176.324 0.236 1 1 656 . 13 1 1 A 62 62 LEU CA C 62 54.259 53.600 0.659 1 1 657 . 13 1 1 A 62 62 LEU CB C 62 42.022 43.215 -1.193 1 1 661 . 13 1 1 A 62 62 LEU N N 62 120.566 124.879 -4.313 1 1 662 . 13 1 1 A 63 63 VAL H H 63 8.121 8.935 -0.814 1 1 663 . 13 1 1 A 63 63 VAL HA H 63 4.113 4.336 -0.223 1 1 671 . 13 1 1 A 63 63 VAL C C 63 175.468 175.327 0.141 1 1 672 . 13 1 1 A 63 63 VAL CA C 63 61.763 61.626 0.137 1 1 673 . 13 1 1 A 63 63 VAL CB C 63 31.413 33.185 -1.772 1 1 676 . 13 1 1 A 63 63 VAL N N 63 121.172 123.880 -2.708 1 1 677 . 13 1 1 A 64 64 LEU H H 64 9.077 8.662 0.415 1 1 678 . 13 1 1 A 64 64 LEU HA H 64 4.113 4.254 -0.141 1 1 688 . 13 1 1 A 64 64 LEU C C 64 177.611 176.133 1.478 1 1 689 . 13 1 1 A 64 64 LEU CA C 64 56.614 55.267 1.347 1 1 690 . 13 1 1 A 64 64 LEU CB C 64 42.994 43.124 -0.130 1 1 694 . 13 1 1 A 64 64 LEU N N 64 130.175 127.291 2.884 1 1 695 . 13 1 1 A 65 65 HIS H H 65 7.510 7.069 0.441 1 1 696 . 13 1 1 A 65 65 HIS HA H 65 5.297 5.159 0.138 1 1 701 . 13 1 1 A 65 65 HIS C C 65 174.833 173.683 1.150 1 1 702 . 13 1 1 A 65 65 HIS CA C 65 55.715 54.666 1.049 1 1 703 . 13 1 1 A 65 65 HIS CB C 65 35.813 34.349 1.464 1 1 706 . 13 1 1 A 65 65 HIS N N 65 115.096 115.157 -0.061 1 1 707 . 13 1 1 A 66 66 ILE H H 66 8.675 8.722 -0.047 1 1 708 . 13 1 1 A 66 66 ILE HA H 66 4.320 4.428 -0.108 1 1 718 . 13 1 1 A 66 66 ILE C C 66 175.571 175.852 -0.281 1 1 719 . 13 1 1 A 66 66 ILE CA C 66 60.510 60.182 0.328 1 1 720 . 13 1 1 A 66 66 ILE CB C 66 41.360 40.755 0.605 1 1 724 . 13 1 1 A 66 66 ILE N N 66 119.474 119.482 -0.008 1 1 725 . 13 1 1 A 67 67 ASN H H 67 10.170 9.862 0.308 1 1 726 . 13 1 1 A 67 67 ASN HA H 67 4.595 4.551 0.044 1 1 731 . 13 1 1 A 67 67 ASN C C 67 175.349 175.555 -0.206 1 1 732 . 13 1 1 A 67 67 ASN CA C 67 54.589 54.600 -0.011 1 1 733 . 13 1 1 A 67 67 ASN CB C 67 37.267 37.419 -0.152 1 1 734 . 13 1 1 A 67 67 ASN N N 67 129.216 127.067 2.149 1 1 736 . 13 1 1 A 68 68 GLY H H 68 9.396 8.783 0.613 1 1 737 . 13 1 1 A 68 68 GLY HA2 H 68 4.155 3.846 0.309 1 1 738 . 13 1 1 A 68 68 GLY HA3 H 68 3.585 3.880 -0.295 1 1 739 . 13 1 1 A 68 68 GLY C C 68 173.920 173.827 0.093 1 1 740 . 13 1 1 A 68 68 GLY CA C 68 45.267 45.976 -0.709 1 1 741 . 13 1 1 A 68 68 GLY N N 68 104.067 103.838 0.229 1 1 742 . 13 1 1 A 69 69 GLU H H 69 7.815 7.981 -0.166 1 1 743 . 13 1 1 A 69 69 GLU HA H 69 4.619 4.686 -0.067 1 1 748 . 13 1 1 A 69 69 GLU C C 69 175.696 175.671 0.025 1 1 749 . 13 1 1 A 69 69 GLU CA C 69 54.803 54.787 0.016 1 1 750 . 13 1 1 A 69 69 GLU CB C 69 32.281 32.094 0.187 1 1 752 . 13 1 1 A 69 69 GLU N N 69 121.337 119.741 1.596 1 1 753 . 13 1 1 A 70 70 SER H H 70 8.867 8.749 0.118 1 1 754 . 13 1 1 A 70 70 SER HA H 70 4.411 4.970 -0.559 1 1 757 . 13 1 1 A 70 70 SER C C 70 176.409 174.549 1.860 1 1 758 . 13 1 1 A 70 70 SER CA C 70 58.034 58.261 -0.227 1 1 759 . 13 1 1 A 70 70 SER CB C 70 63.432 63.695 -0.263 1 1 760 . 13 1 1 A 70 70 SER N N 70 119.566 118.573 0.993 1 1 761 . 13 1 1 A 71 71 THR H H 71 7.914 9.094 -1.180 1 1 762 . 13 1 1 A 71 71 THR HA H 71 4.162 4.391 -0.229 1 1 767 . 13 1 1 A 71 71 THR C C 71 175.433 175.214 0.219 1 1 768 . 13 1 1 A 71 71 THR CA C 71 60.921 63.486 -2.565 1 1 769 . 13 1 1 A 71 71 THR CB C 71 68.671 68.794 -0.123 1 1 771 . 13 1 1 A 71 71 THR N N 71 114.514 121.720 -7.206 1 1 772 . 13 1 1 A 72 72 GLN H H 72 8.131 8.093 0.038 1 1 773 . 13 1 1 A 72 72 GLN HA H 72 4.020 3.993 0.027 1 1 780 . 13 1 1 A 72 72 GLN C C 72 176.950 177.421 -0.471 1 1 781 . 13 1 1 A 72 72 GLN CA C 72 58.361 59.535 -1.174 1 1 782 . 13 1 1 A 72 72 GLN CB C 72 28.079 28.483 -0.404 1 1 784 . 13 1 1 A 72 72 GLN N N 72 124.809 121.679 3.130 1 1 786 . 13 1 1 A 73 73 GLY H H 73 9.025 7.913 1.112 1 1 787 . 13 1 1 A 73 73 GLY HA2 H 73 4.092 4.067 0.025 1 1 788 . 13 1 1 A 73 73 GLY HA3 H 73 3.754 4.067 -0.313 1 1 789 . 13 1 1 A 73 73 GLY C C 73 173.971 173.295 0.676 1 1 790 . 13 1 1 A 73 73 GLY CA C 73 45.373 45.502 -0.129 1 1 791 . 13 1 1 A 73 73 GLY N N 73 114.015 106.040 7.975 1 1 792 . 13 1 1 A 74 74 LEU H H 74 7.672 7.205 0.467 1 1 793 . 13 1 1 A 74 74 LEU HA H 74 4.768 4.740 0.028 1 1 803 . 13 1 1 A 74 74 LEU C C 74 179.964 177.087 2.877 1 1 804 . 13 1 1 A 74 74 LEU CA C 74 54.682 53.917 0.765 1 1 805 . 13 1 1 A 74 74 LEU CB C 74 42.355 43.341 -0.986 1 1 809 . 13 1 1 A 74 74 LEU N N 74 118.933 120.943 -2.010 1 1 810 . 13 1 1 A 75 75 THR H H 75 8.911 8.865 0.046 1 1 811 . 13 1 1 A 75 75 THR HA H 75 4.799 4.684 0.115 1 1 816 . 13 1 1 A 75 75 THR C C 75 174.971 175.346 -0.375 1 1 817 . 13 1 1 A 75 75 THR CA C 75 60.571 60.702 -0.131 1 1 818 . 13 1 1 A 75 75 THR CB C 75 71.058 71.276 -0.218 1 1 820 . 13 1 1 A 75 75 THR N N 75 113.687 117.164 -3.477 1 1 821 . 13 1 1 A 76 76 HIS H H 76 9.474 9.186 0.288 1 1 822 . 13 1 1 A 76 76 HIS HA H 76 3.997 4.104 -0.107 1 1 826 . 13 1 1 A 76 76 HIS C C 76 176.917 176.799 0.118 1 1 827 . 13 1 1 A 76 76 HIS CA C 76 61.208 61.047 0.161 1 1 828 . 13 1 1 A 76 76 HIS CB C 76 29.729 30.376 -0.647 1 1 830 . 13 1 1 A 76 76 HIS N N 76 122.022 122.045 -0.023 1 1 831 . 13 1 1 A 77 77 ALA H H 77 8.457 8.140 0.317 1 1 832 . 13 1 1 A 77 77 ALA HA H 77 3.946 3.718 0.228 1 1 836 . 13 1 1 A 77 77 ALA C C 77 181.502 179.851 1.651 1 1 837 . 13 1 1 A 77 77 ALA CA C 77 55.282 55.247 0.035 1 1 838 . 13 1 1 A 77 77 ALA CB C 77 18.162 18.126 0.036 1 1 839 . 13 1 1 A 77 77 ALA N N 77 119.389 120.936 -1.547 1 1 840 . 13 1 1 A 78 78 GLN H H 78 7.991 8.144 -0.153 1 1 841 . 13 1 1 A 78 78 GLN HA H 78 4.029 4.074 -0.045 1 1 848 . 13 1 1 A 78 78 GLN C C 78 179.215 178.548 0.667 1 1 849 . 13 1 1 A 78 78 GLN CA C 78 58.562 58.889 -0.327 1 1 850 . 13 1 1 A 78 78 GLN CB C 78 29.592 28.543 1.049 1 1 852 . 13 1 1 A 78 78 GLN N N 78 117.510 117.354 0.156 1 1 854 . 13 1 1 A 79 79 ALA H H 79 8.367 8.479 -0.112 1 1 855 . 13 1 1 A 79 79 ALA HA H 79 3.775 4.083 -0.308 1 1 859 . 13 1 1 A 79 79 ALA C C 79 178.754 180.179 -1.425 1 1 860 . 13 1 1 A 79 79 ALA CA C 79 55.828 55.145 0.683 1 1 861 . 13 1 1 A 79 79 ALA CB C 79 18.733 18.553 0.180 1 1 862 . 13 1 1 A 79 79 ALA N N 79 123.463 122.423 1.040 1 1 863 . 13 1 1 A 80 80 VAL H H 80 8.228 7.929 0.299 1 1 864 . 13 1 1 A 80 80 VAL HA H 80 3.510 3.464 0.046 1 1 872 . 13 1 1 A 80 80 VAL C C 80 179.087 178.576 0.511 1 1 873 . 13 1 1 A 80 80 VAL CA C 80 66.912 67.016 -0.104 1 1 874 . 13 1 1 A 80 80 VAL CB C 80 31.781 31.331 0.450 1 1 877 . 13 1 1 A 80 80 VAL N N 80 116.720 118.232 -1.512 1 1 878 . 13 1 1 A 81 81 GLU H H 81 7.834 8.098 -0.264 1 1 879 . 13 1 1 A 81 81 GLU HA H 81 4.195 4.092 0.103 1 1 884 . 13 1 1 A 81 81 GLU C C 81 178.847 178.646 0.201 1 1 885 . 13 1 1 A 81 81 GLU CA C 81 59.100 58.922 0.178 1 1 886 . 13 1 1 A 81 81 GLU CB C 81 28.818 29.532 -0.714 1 1 888 . 13 1 1 A 81 81 GLU N N 81 121.198 119.943 1.255 1 1 889 . 13 1 1 A 82 82 ARG H H 82 8.004 8.139 -0.135 1 1 890 . 13 1 1 A 82 82 ARG HA H 82 4.021 4.084 -0.063 1 1 897 . 13 1 1 A 82 82 ARG C C 82 179.863 179.000 0.863 1 1 898 . 13 1 1 A 82 82 ARG CA C 82 58.487 59.136 -0.649 1 1 899 . 13 1 1 A 82 82 ARG CB C 82 29.026 30.637 -1.611 1 1 902 . 13 1 1 A 82 82 ARG N N 82 119.267 118.842 0.425 1 1 903 . 13 1 1 A 83 83 ILE H H 83 7.875 7.910 -0.035 1 1 904 . 13 1 1 A 83 83 ILE HA H 83 3.467 3.660 -0.193 1 1 914 . 13 1 1 A 83 83 ILE C C 83 179.211 178.018 1.193 1 1 915 . 13 1 1 A 83 83 ILE CA C 83 65.491 64.969 0.522 1 1 916 . 13 1 1 A 83 83 ILE CB C 83 38.055 37.274 0.781 1 1 920 . 13 1 1 A 83 83 ILE N N 83 120.039 120.993 -0.954 1 1 921 . 13 1 1 A 84 84 ARG H H 84 8.207 8.139 0.068 1 1 922 . 13 1 1 A 84 84 ARG HA H 84 4.125 4.143 -0.018 1 1 929 . 13 1 1 A 84 84 ARG C C 84 179.062 178.227 0.835 1 1 930 . 13 1 1 A 84 84 ARG CA C 84 59.643 58.647 0.996 1 1 931 . 13 1 1 A 84 84 ARG CB C 84 30.197 30.040 0.157 1 1 934 . 13 1 1 A 84 84 ARG N N 84 121.315 120.677 0.638 1 1 935 . 13 1 1 A 85 85 ALA H H 85 8.366 7.861 0.505 1 1 936 . 13 1 1 A 85 85 ALA HA H 85 4.241 4.089 0.152 1 1 940 . 13 1 1 A 85 85 ALA C C 85 179.042 179.645 -0.603 1 1 941 . 13 1 1 A 85 85 ALA CA C 85 53.695 54.459 -0.764 1 1 942 . 13 1 1 A 85 85 ALA CB C 85 18.806 18.649 0.157 1 1 943 . 13 1 1 A 85 85 ALA N N 85 120.166 122.069 -1.903 1 1 944 . 13 1 1 A 86 86 GLY H H 86 7.470 8.063 -0.593 1 1 945 . 13 1 1 A 86 86 GLY HA2 H 86 4.134 3.914 0.220 1 1 946 . 13 1 1 A 86 86 GLY HA3 H 86 4.134 3.915 0.219 1 1 947 . 13 1 1 A 86 86 GLY C C 86 174.699 174.656 0.043 1 1 948 . 13 1 1 A 86 86 GLY CA C 86 45.902 47.030 -1.128 1 1 949 . 13 1 1 A 86 86 GLY N N 86 104.067 106.707 -2.640 1 1 950 . 13 1 1 A 87 87 GLY H H 87 7.688 7.922 -0.234 1 1 951 . 13 1 1 A 87 87 GLY HA2 H 87 4.528 4.079 0.449 1 1 952 . 13 1 1 A 87 87 GLY HA3 H 87 3.835 4.081 -0.246 1 1 953 . 13 1 1 A 87 87 GLY C C 87 173.611 174.140 -0.529 1 1 954 . 13 1 1 A 87 87 GLY CA C 87 44.677 44.392 0.285 1 1 955 . 13 1 1 A 87 87 GLY N N 87 107.458 106.064 1.394 1 1 956 . 13 1 1 A 88 88 PRO HA H 88 4.306 4.487 -0.181 1 1 963 . 13 1 1 A 88 88 PRO C C 88 175.247 176.456 -1.209 1 1 964 . 13 1 1 A 88 88 PRO CA C 88 64.596 64.302 0.294 1 1 965 . 13 1 1 A 88 88 PRO CB C 88 32.405 32.170 0.235 1 1 968 . 13 1 1 A 89 89 GLN H H 89 7.606 8.142 -0.536 1 1 969 . 13 1 1 A 89 89 GLN HA H 89 5.343 4.880 0.463 1 1 976 . 13 1 1 A 89 89 GLN C C 89 173.750 174.351 -0.601 1 1 977 . 13 1 1 A 89 89 GLN CA C 89 54.626 54.927 -0.301 1 1 978 . 13 1 1 A 89 89 GLN CB C 89 31.870 31.415 0.455 1 1 980 . 13 1 1 A 89 89 GLN N N 89 116.964 118.464 -1.500 1 1 982 . 13 1 1 A 90 90 LEU H H 90 8.610 8.613 -0.003 1 1 983 . 13 1 1 A 90 90 LEU HA H 90 4.757 4.826 -0.069 1 1 993 . 13 1 1 A 90 90 LEU C C 90 173.607 174.995 -1.388 1 1 994 . 13 1 1 A 90 90 LEU CA C 90 53.730 53.665 0.065 1 1 995 . 13 1 1 A 90 90 LEU CB C 90 45.549 44.337 1.212 1 1 999 . 13 1 1 A 90 90 LEU N N 90 124.460 126.174 -1.714 1 1 1000 . 13 1 1 A 91 91 HIS H H 91 8.826 8.839 -0.013 1 1 1001 . 13 1 1 A 91 91 HIS HA H 91 5.207 5.652 -0.445 1 1 1006 . 13 1 1 A 91 91 HIS C C 91 174.745 173.191 1.554 1 1 1007 . 13 1 1 A 91 91 HIS CA C 91 55.093 53.757 1.336 1 1 1008 . 13 1 1 A 91 91 HIS CB C 91 32.686 33.033 -0.347 1 1 1011 . 13 1 1 A 91 91 HIS N N 91 126.871 126.312 0.559 1 1 1012 . 13 1 1 A 92 92 LEU H H 92 9.024 8.528 0.496 1 1 1013 . 13 1 1 A 92 92 LEU HA H 92 5.203 4.943 0.260 1 1 1023 . 13 1 1 A 92 92 LEU C C 92 175.889 175.582 0.307 1 1 1024 . 13 1 1 A 92 92 LEU CA C 92 52.955 53.473 -0.518 1 1 1025 . 13 1 1 A 92 92 LEU CB C 92 46.233 44.984 1.249 1 1 1029 . 13 1 1 A 92 92 LEU N N 92 125.837 128.359 -2.522 1 1 1030 . 13 1 1 A 93 93 VAL H H 93 7.739 8.901 -1.162 1 1 1031 . 13 1 1 A 93 93 VAL HA H 93 4.568 4.805 -0.237 1 1 1039 . 13 1 1 A 93 93 VAL C C 93 174.538 174.848 -0.310 1 1 1040 . 13 1 1 A 93 93 VAL CA C 93 62.666 61.642 1.024 1 1 1041 . 13 1 1 A 93 93 VAL CB C 93 32.838 32.230 0.608 1 1 1044 . 13 1 1 A 93 93 VAL N N 93 120.566 124.675 -4.109 1 1 1045 . 13 1 1 A 94 94 ILE H H 94 8.965 8.321 0.644 1 1 1046 . 13 1 1 A 94 94 ILE HA H 94 5.152 4.910 0.242 1 1 1056 . 13 1 1 A 94 94 ILE C C 94 174.723 174.405 0.318 1 1 1057 . 13 1 1 A 94 94 ILE CA C 94 56.360 59.028 -2.668 1 1 1058 . 13 1 1 A 94 94 ILE CB C 94 39.214 40.527 -1.313 1 1 1062 . 13 1 1 A 94 94 ILE N N 94 128.952 127.912 1.040 1 1 1063 . 13 1 1 A 95 95 ARG H H 95 8.286 8.402 -0.116 1 1 1064 . 13 1 1 A 95 95 ARG HA H 95 4.715 4.926 -0.211 1 1 1071 . 13 1 1 A 95 95 ARG C C 95 173.665 174.914 -1.249 1 1 1072 . 13 1 1 A 95 95 ARG CA C 95 54.982 54.576 0.406 1 1 1073 . 13 1 1 A 95 95 ARG CB C 95 34.833 34.081 0.752 1 1 1076 . 13 1 1 A 95 95 ARG N N 95 120.920 125.622 -4.702 1 1 1077 . 13 1 1 A 96 96 ARG H H 96 9.238 8.656 0.582 1 1 1078 . 13 1 1 A 96 96 ARG HA H 96 4.984 4.543 0.441 1 1 1086 . 13 1 1 A 96 96 ARG C C 96 174.582 175.049 -0.467 1 1 1087 . 13 1 1 A 96 96 ARG CA C 96 53.219 54.061 -0.842 1 1 1088 . 13 1 1 A 96 96 ARG CB C 96 31.369 30.799 0.570 1 1 1091 . 13 1 1 A 96 96 ARG N N 96 129.955 128.516 1.439 1 1 1093 . 13 1 1 A 97 97 PRO HA H 97 4.424 4.714 -0.290 1 1 1100 . 13 1 1 A 97 97 PRO C C 97 176.289 175.908 0.381 1 1 1101 . 13 1 1 A 97 97 PRO CA C 97 63.322 62.386 0.936 1 1 1102 . 13 1 1 A 97 97 PRO CB C 97 32.240 33.261 -1.021 1 1 1105 . 13 1 1 A 98 98 LEU H H 98 8.325 8.031 0.294 1 1 1106 . 13 1 1 A 98 98 LEU HA H 98 4.399 4.650 -0.251 1 1 1116 . 13 1 1 A 98 98 LEU C C 98 177.395 176.704 0.691 1 1 1117 . 13 1 1 A 98 98 LEU CA C 98 55.165 53.907 1.258 1 1 1118 . 13 1 1 A 98 98 LEU CB C 98 42.419 41.934 0.485 1 1 1122 . 13 1 1 A 98 98 LEU N N 98 122.396 117.199 5.197 1 1 1123 . 13 1 1 A 99 99 SER H H 99 8.333 8.015 0.318 1 1 1124 . 13 1 1 A 99 99 SER HA H 99 4.483 4.574 -0.091 1 1 1127 . 13 1 1 A 99 99 SER C C 99 174.489 173.789 0.700 1 1 1128 . 13 1 1 A 99 99 SER CA C 99 58.138 57.918 0.220 1 1 1129 . 13 1 1 A 99 99 SER CB C 99 63.846 63.087 0.759 1 1 1130 . 13 1 1 A 99 99 SER N N 99 116.892 116.133 0.759 1 1 1131 . 13 1 1 A 100 100 GLY H H 100 8.253 7.761 0.492 1 1 1132 . 13 1 1 A 100 100 GLY HA2 H 100 4.177 4.146 0.031 1 1 1133 . 13 1 1 A 100 100 GLY HA3 H 100 4.101 4.148 -0.047 1 1 1134 . 13 1 1 A 100 100 GLY C C 100 171.838 171.774 0.064 1 1 1135 . 13 1 1 A 100 100 GLY CA C 100 44.679 44.822 -0.143 1 1 1136 . 13 1 1 A 100 100 GLY N N 100 110.703 109.842 0.861 1 1 1137 . 13 1 1 A 101 101 PRO HA H 101 4.480 4.711 -0.231 1 1 1144 . 13 1 1 A 101 101 PRO C C 101 177.411 176.681 0.730 1 1 1145 . 13 1 1 A 101 101 PRO CA C 101 63.312 62.823 0.489 1 1 1146 . 13 1 1 A 101 101 PRO CB C 101 32.158 32.313 -0.155 1 1 1149 . 13 1 1 A 102 102 SER H H 102 8.517 8.788 -0.271 1 1 1150 . 13 1 1 A 102 102 SER C C 102 174.655 174.067 0.588 1 1 1151 . 13 1 1 A 102 102 SER CA C 102 58.438 59.444 -1.006 1 1 1152 . 13 1 1 A 102 102 SER CB C 102 63.970 65.149 -1.179 1 1 1 . 14 1 1 A 2 2 SER HA H 2 4.493 4.584 -0.091 1 1 4 . 14 1 1 A 2 2 SER C C 2 174.671 174.607 0.064 1 1 5 . 14 1 1 A 2 2 SER CA C 2 58.438 60.966 -2.528 1 1 6 . 14 1 1 A 2 2 SER CB C 2 63.558 63.865 -0.307 1 1 7 . 14 1 1 A 3 3 SER H H 3 8.324 7.589 0.735 1 1 8 . 14 1 1 A 3 3 SER HA H 3 4.493 4.318 0.175 1 1 11 . 14 1 1 A 3 3 SER C C 3 173.918 174.179 -0.261 1 1 12 . 14 1 1 A 3 3 SER CA C 3 58.455 59.041 -0.586 1 1 13 . 14 1 1 A 3 3 SER CB C 3 63.929 63.276 0.653 1 1 14 . 14 1 1 A 3 3 SER N N 3 117.862 113.590 4.272 1 1 15 . 14 1 1 A 4 4 GLY H H 4 8.045 8.531 -0.486 1 1 16 . 14 1 1 A 4 4 GLY C C 4 179.001 172.449 6.552 1 1 17 . 14 1 1 A 4 4 GLY CA C 4 46.201 45.928 0.273 1 1 18 . 14 1 1 A 4 4 GLY N N 4 116.862 111.307 5.555 1 1 19 . 14 1 1 A 6 6 SER HA H 6 4.461 4.426 0.035 1 1 22 . 14 1 1 A 6 6 SER C C 6 175.170 174.344 0.826 1 1 23 . 14 1 1 A 6 6 SER CA C 6 58.755 59.651 -0.896 1 1 24 . 14 1 1 A 6 6 SER CB C 6 63.862 63.261 0.601 1 1 25 . 14 1 1 A 7 7 GLY H H 7 8.432 8.467 -0.035 1 1 26 . 14 1 1 A 7 7 GLY HA2 H 7 3.966 3.951 0.015 1 1 27 . 14 1 1 A 7 7 GLY C C 7 174.309 174.428 -0.119 1 1 28 . 14 1 1 A 7 7 GLY CA C 7 45.408 46.209 -0.801 1 1 29 . 14 1 1 A 7 7 GLY N N 7 110.678 114.257 -3.579 1 1 30 . 14 1 1 A 8 8 GLN H H 8 8.210 7.671 0.539 1 1 31 . 14 1 1 A 8 8 GLN HA H 8 4.324 4.238 0.086 1 1 38 . 14 1 1 A 8 8 GLN C C 8 176.037 175.243 0.794 1 1 39 . 14 1 1 A 8 8 GLN CA C 8 55.970 56.486 -0.516 1 1 40 . 14 1 1 A 8 8 GLN CB C 8 29.562 29.336 0.226 1 1 42 . 14 1 1 A 8 8 GLN N N 8 119.977 119.736 0.241 1 1 44 . 14 1 1 A 9 9 ALA H H 9 8.394 8.295 0.099 1 1 45 . 14 1 1 A 9 9 ALA HA H 9 4.319 4.328 -0.009 1 1 49 . 14 1 1 A 9 9 ALA C C 9 177.635 176.751 0.884 1 1 50 . 14 1 1 A 9 9 ALA CA C 9 52.531 52.467 0.064 1 1 51 . 14 1 1 A 9 9 ALA CB C 9 19.136 19.049 0.087 1 1 52 . 14 1 1 A 9 9 ALA N N 9 125.301 129.839 -4.538 1 1 53 . 14 1 1 A 10 10 SER H H 10 8.259 8.734 -0.475 1 1 54 . 14 1 1 A 10 10 SER HA H 10 4.440 4.658 -0.218 1 1 57 . 14 1 1 A 10 10 SER C C 10 175.138 174.915 0.223 1 1 58 . 14 1 1 A 10 10 SER CA C 10 58.649 58.635 0.014 1 1 59 . 14 1 1 A 10 10 SER CB C 10 63.888 61.878 2.010 1 1 60 . 14 1 1 A 10 10 SER N N 10 114.874 121.928 -7.054 1 1 61 . 14 1 1 A 11 11 GLY H H 11 8.493 8.456 0.037 1 1 62 . 14 1 1 A 11 11 GLY HA2 H 11 4.039 3.659 0.380 1 1 63 . 14 1 1 A 11 11 GLY HA3 H 11 4.039 3.824 0.215 1 1 64 . 14 1 1 A 11 11 GLY C C 11 173.678 173.837 -0.159 1 1 65 . 14 1 1 A 11 11 GLY CA C 11 45.531 46.839 -1.308 1 1 66 . 14 1 1 A 11 11 GLY N N 11 110.301 116.237 -5.936 1 1 67 . 14 1 1 A 12 12 HIS H H 12 7.970 7.457 0.513 1 1 68 . 14 1 1 A 12 12 HIS HA H 12 5.442 4.785 0.657 1 1 73 . 14 1 1 A 12 12 HIS C C 12 175.304 175.012 0.292 1 1 74 . 14 1 1 A 12 12 HIS CA C 12 55.095 55.823 -0.728 1 1 75 . 14 1 1 A 12 12 HIS CB C 12 31.849 31.371 0.478 1 1 78 . 14 1 1 A 12 12 HIS N N 12 119.432 122.055 -2.623 1 1 79 . 14 1 1 A 13 13 PHE H H 13 8.940 9.094 -0.154 1 1 80 . 14 1 1 A 13 13 PHE HA H 13 5.072 5.559 -0.487 1 1 88 . 14 1 1 A 13 13 PHE C C 13 172.688 174.149 -1.461 1 1 89 . 14 1 1 A 13 13 PHE CA C 13 56.269 54.977 1.292 1 1 90 . 14 1 1 A 13 13 PHE CB C 13 40.835 42.352 -1.517 1 1 96 . 14 1 1 A 13 13 PHE N N 13 118.413 117.621 0.792 1 1 97 . 14 1 1 A 14 14 SER H H 14 8.709 8.881 -0.172 1 1 98 . 14 1 1 A 14 14 SER HA H 14 5.580 5.287 0.293 1 1 101 . 14 1 1 A 14 14 SER C C 14 174.119 172.806 1.313 1 1 102 . 14 1 1 A 14 14 SER CA C 14 56.974 57.171 -0.197 1 1 103 . 14 1 1 A 14 14 SER CB C 14 65.778 65.453 0.325 1 1 104 . 14 1 1 A 14 14 SER N N 14 115.082 116.590 -1.508 1 1 105 . 14 1 1 A 15 15 VAL H H 15 8.801 8.603 0.198 1 1 106 . 14 1 1 A 15 15 VAL HA H 15 4.373 4.711 -0.338 1 1 114 . 14 1 1 A 15 15 VAL C C 15 173.002 175.032 -2.030 1 1 115 . 14 1 1 A 15 15 VAL CA C 15 61.312 61.250 0.062 1 1 116 . 14 1 1 A 15 15 VAL CB C 15 36.461 34.370 2.091 1 1 119 . 14 1 1 A 15 15 VAL N N 15 121.148 122.679 -1.531 1 1 120 . 14 1 1 A 16 16 GLU H H 16 8.383 8.891 -0.508 1 1 121 . 14 1 1 A 16 16 GLU HA H 16 5.299 5.414 -0.115 1 1 126 . 14 1 1 A 16 16 GLU C C 16 175.408 175.751 -0.343 1 1 127 . 14 1 1 A 16 16 GLU CA C 16 54.594 55.173 -0.579 1 1 128 . 14 1 1 A 16 16 GLU CB C 16 31.993 31.872 0.121 1 1 130 . 14 1 1 A 16 16 GLU N N 16 125.925 126.579 -0.654 1 1 131 . 14 1 1 A 17 17 LEU H H 17 9.172 8.355 0.817 1 1 132 . 14 1 1 A 17 17 LEU HA H 17 5.000 4.900 0.100 1 1 142 . 14 1 1 A 17 17 LEU C C 17 175.596 175.674 -0.078 1 1 143 . 14 1 1 A 17 17 LEU CA C 17 52.919 53.481 -0.562 1 1 144 . 14 1 1 A 17 17 LEU CB C 17 47.317 46.437 0.880 1 1 148 . 14 1 1 A 17 17 LEU N N 17 122.761 124.447 -1.686 1 1 149 . 14 1 1 A 18 18 VAL H H 18 8.546 9.117 -0.571 1 1 150 . 14 1 1 A 18 18 VAL HA H 18 4.831 4.769 0.062 1 1 158 . 14 1 1 A 18 18 VAL C C 18 175.783 176.061 -0.278 1 1 159 . 14 1 1 A 18 18 VAL CA C 18 61.277 61.645 -0.368 1 1 160 . 14 1 1 A 18 18 VAL CB C 18 33.600 33.379 0.221 1 1 163 . 14 1 1 A 18 18 VAL N N 18 122.523 123.347 -0.824 1 1 164 . 14 1 1 A 19 19 ARG H H 19 8.495 8.331 0.164 1 1 165 . 14 1 1 A 19 19 ARG HA H 19 2.868 3.119 -0.251 1 1 172 . 14 1 1 A 19 19 ARG C C 19 176.248 175.825 0.423 1 1 173 . 14 1 1 A 19 19 ARG CA C 19 58.138 56.720 1.418 1 1 174 . 14 1 1 A 19 19 ARG CB C 19 30.839 30.622 0.217 1 1 177 . 14 1 1 A 19 19 ARG N N 19 127.015 127.480 -0.465 1 1 178 . 14 1 1 A 20 20 GLY H H 20 7.244 8.099 -0.855 1 1 179 . 14 1 1 A 20 20 GLY HA2 H 20 4.504 4.075 0.429 1 1 180 . 14 1 1 A 20 20 GLY HA3 H 20 3.750 4.080 -0.330 1 1 181 . 14 1 1 A 20 20 GLY C C 20 175.286 174.569 0.717 1 1 182 . 14 1 1 A 20 20 GLY CA C 20 44.131 44.456 -0.325 1 1 183 . 14 1 1 A 20 20 GLY N N 20 112.266 113.382 -1.116 1 1 184 . 14 1 1 A 21 21 TYR HA H 21 4.219 3.958 0.261 1 1 191 . 14 1 1 A 21 21 TYR C C 21 176.309 175.349 0.960 1 1 192 . 14 1 1 A 21 21 TYR CA C 21 60.518 61.076 -0.558 1 1 193 . 14 1 1 A 21 21 TYR CB C 21 37.826 38.848 -1.022 1 1 198 . 14 1 1 A 22 22 ALA H H 22 8.272 7.733 0.539 1 1 199 . 14 1 1 A 22 22 ALA HA H 22 4.404 4.392 0.012 1 1 203 . 14 1 1 A 22 22 ALA C C 22 177.312 177.516 -0.204 1 1 204 . 14 1 1 A 22 22 ALA CA C 22 50.816 50.670 0.146 1 1 205 . 14 1 1 A 22 22 ALA CB C 22 18.455 20.168 -1.713 1 1 206 . 14 1 1 A 22 22 ALA N N 22 121.539 119.381 2.158 1 1 207 . 14 1 1 A 23 23 GLY H H 23 7.495 8.800 -1.305 1 1 208 . 14 1 1 A 23 23 GLY HA2 H 23 4.541 3.685 0.856 1 1 209 . 14 1 1 A 23 23 GLY HA3 H 23 3.238 3.827 -0.589 1 1 210 . 14 1 1 A 23 23 GLY C C 23 175.043 174.756 0.287 1 1 211 . 14 1 1 A 23 23 GLY CA C 23 44.897 46.267 -1.370 1 1 212 . 14 1 1 A 23 23 GLY N N 23 106.744 114.542 -7.798 1 1 213 . 14 1 1 A 24 24 PHE H H 24 7.242 8.679 -1.437 1 1 214 . 14 1 1 A 24 24 PHE HA H 24 4.369 4.618 -0.249 1 1 222 . 14 1 1 A 24 24 PHE C C 24 175.902 175.962 -0.060 1 1 223 . 14 1 1 A 24 24 PHE CA C 24 60.347 58.043 2.304 1 1 224 . 14 1 1 A 24 24 PHE CB C 24 39.575 39.971 -0.396 1 1 230 . 14 1 1 A 25 25 GLY H H 25 8.820 8.308 0.512 1 1 231 . 14 1 1 A 25 25 GLY HA2 H 25 4.134 4.031 0.103 1 1 232 . 14 1 1 A 25 25 GLY HA3 H 25 3.913 4.037 -0.124 1 1 233 . 14 1 1 A 25 25 GLY C C 25 174.585 174.459 0.126 1 1 234 . 14 1 1 A 25 25 GLY CA C 25 47.030 46.500 0.530 1 1 235 . 14 1 1 A 25 25 GLY N N 25 107.899 109.742 -1.843 1 1 236 . 14 1 1 A 26 26 LEU H H 26 7.991 7.846 0.145 1 1 237 . 14 1 1 A 26 26 LEU HA H 26 4.990 4.820 0.170 1 1 247 . 14 1 1 A 26 26 LEU C C 26 174.135 175.156 -1.021 1 1 248 . 14 1 1 A 26 26 LEU CA C 26 53.906 53.663 0.243 1 1 249 . 14 1 1 A 26 26 LEU CB C 26 45.939 44.343 1.596 1 1 253 . 14 1 1 A 26 26 LEU N N 26 122.133 122.738 -0.605 1 1 254 . 14 1 1 A 27 27 THR H H 27 8.657 8.811 -0.154 1 1 255 . 14 1 1 A 27 27 THR HA H 27 4.662 5.241 -0.579 1 1 260 . 14 1 1 A 27 27 THR C C 27 174.074 173.367 0.707 1 1 261 . 14 1 1 A 27 27 THR CA C 27 61.382 61.122 0.260 1 1 262 . 14 1 1 A 27 27 THR CB C 27 70.010 72.260 -2.250 1 1 264 . 14 1 1 A 27 27 THR N N 27 121.262 122.108 -0.846 1 1 265 . 14 1 1 A 28 28 LEU H H 28 9.692 8.849 0.843 1 1 266 . 14 1 1 A 28 28 LEU HA H 28 5.297 5.082 0.215 1 1 276 . 14 1 1 A 28 28 LEU C C 28 175.414 175.453 -0.039 1 1 277 . 14 1 1 A 28 28 LEU CA C 28 53.219 52.988 0.231 1 1 278 . 14 1 1 A 28 28 LEU CB C 28 45.049 45.399 -0.350 1 1 282 . 14 1 1 A 28 28 LEU N N 28 128.374 125.053 3.321 1 1 283 . 14 1 1 A 29 29 GLY H H 29 8.818 8.798 0.020 1 1 284 . 14 1 1 A 29 29 GLY HA2 H 29 4.089 4.143 -0.054 1 1 285 . 14 1 1 A 29 29 GLY HA3 H 29 3.664 4.174 -0.510 1 1 286 . 14 1 1 A 29 29 GLY C C 29 171.700 174.065 -2.365 1 1 287 . 14 1 1 A 29 29 GLY CA C 29 44.086 44.688 -0.602 1 1 288 . 14 1 1 A 29 29 GLY N N 29 106.574 112.253 -5.679 1 1 289 . 14 1 1 A 30 30 GLY H H 30 8.339 8.150 0.189 1 1 290 . 14 1 1 A 30 30 GLY HA2 H 30 4.434 4.046 0.388 1 1 291 . 14 1 1 A 30 30 GLY HA3 H 30 3.554 4.058 -0.504 1 1 292 . 14 1 1 A 30 30 GLY C C 30 174.290 173.547 0.743 1 1 293 . 14 1 1 A 30 30 GLY CA C 30 44.879 44.164 0.715 1 1 294 . 14 1 1 A 30 30 GLY N N 30 107.245 111.627 -4.382 1 1 295 . 14 1 1 A 31 31 GLY H H 31 7.292 8.273 -0.981 1 1 296 . 14 1 1 A 31 31 GLY HA2 H 31 4.439 3.989 0.450 1 1 297 . 14 1 1 A 31 31 GLY HA3 H 31 4.000 4.032 -0.032 1 1 298 . 14 1 1 A 31 31 GLY C C 31 174.513 173.713 0.800 1 1 299 . 14 1 1 A 31 31 GLY CA C 31 43.589 44.962 -1.373 1 1 300 . 14 1 1 A 31 31 GLY N N 31 107.984 108.450 -0.466 1 1 301 . 14 1 1 A 32 32 ARG H H 32 8.065 8.409 -0.344 1 1 302 . 14 1 1 A 32 32 ARG HA H 32 4.380 4.606 -0.226 1 1 309 . 14 1 1 A 32 32 ARG C C 32 176.139 175.035 1.104 1 1 310 . 14 1 1 A 32 32 ARG CA C 32 57.354 55.635 1.719 1 1 311 . 14 1 1 A 32 32 ARG CB C 32 30.080 30.976 -0.896 1 1 314 . 14 1 1 A 32 32 ARG N N 32 121.733 121.846 -0.113 1 1 315 . 14 1 1 A 33 33 ASP H H 33 8.916 8.970 -0.054 1 1 316 . 14 1 1 A 33 33 ASP HA H 33 4.799 5.025 -0.226 1 1 319 . 14 1 1 A 33 33 ASP C C 33 176.381 176.736 -0.355 1 1 320 . 14 1 1 A 33 33 ASP CA C 33 53.783 52.886 0.897 1 1 321 . 14 1 1 A 33 33 ASP CB C 33 43.712 43.877 -0.165 1 1 322 . 14 1 1 A 33 33 ASP N N 33 126.313 126.047 0.266 1 1 323 . 14 1 1 A 34 34 VAL H H 34 8.372 8.949 -0.577 1 1 324 . 14 1 1 A 34 34 VAL HA H 34 3.943 3.728 0.215 1 1 329 . 14 1 1 A 34 34 VAL C C 34 176.591 176.973 -0.382 1 1 330 . 14 1 1 A 34 34 VAL CA C 34 64.644 66.478 -1.834 1 1 331 . 14 1 1 A 34 34 VAL CB C 34 31.796 31.847 -0.051 1 1 333 . 14 1 1 A 34 34 VAL N N 34 121.465 121.632 -0.167 1 1 334 . 14 1 1 A 35 35 ALA H H 35 8.577 7.999 0.578 1 1 335 . 14 1 1 A 35 35 ALA HA H 35 4.386 4.580 -0.194 1 1 339 . 14 1 1 A 35 35 ALA C C 35 177.532 176.724 0.808 1 1 340 . 14 1 1 A 35 35 ALA CA C 35 52.589 51.288 1.301 1 1 341 . 14 1 1 A 35 35 ALA CB C 35 19.095 20.509 -1.414 1 1 342 . 14 1 1 A 35 35 ALA N N 35 123.222 119.993 3.229 1 1 343 . 14 1 1 A 36 36 GLY H H 36 7.816 7.830 -0.014 1 1 344 . 14 1 1 A 36 36 GLY HA2 H 36 4.274 4.266 0.008 1 1 345 . 14 1 1 A 36 36 GLY HA3 H 36 3.723 4.267 -0.544 1 1 346 . 14 1 1 A 36 36 GLY C C 36 172.610 172.373 0.237 1 1 347 . 14 1 1 A 36 36 GLY CA C 36 45.161 44.776 0.385 1 1 348 . 14 1 1 A 36 36 GLY N N 36 107.925 107.608 0.317 1 1 349 . 14 1 1 A 37 37 ASP H H 37 8.604 8.849 -0.245 1 1 350 . 14 1 1 A 37 37 ASP HA H 37 4.810 5.381 -0.571 1 1 353 . 14 1 1 A 37 37 ASP C C 37 176.081 174.555 1.526 1 1 354 . 14 1 1 A 37 37 ASP CA C 37 54.700 53.009 1.691 1 1 355 . 14 1 1 A 37 37 ASP CB C 37 41.076 42.485 -1.409 1 1 356 . 14 1 1 A 37 37 ASP N N 37 124.969 119.520 5.449 1 1 357 . 14 1 1 A 38 38 THR H H 38 7.679 8.711 -1.032 1 1 358 . 14 1 1 A 38 38 THR HA H 38 4.704 5.045 -0.341 1 1 363 . 14 1 1 A 38 38 THR C C 38 172.712 171.415 1.297 1 1 364 . 14 1 1 A 38 38 THR CA C 38 59.810 58.314 1.496 1 1 365 . 14 1 1 A 38 38 THR CB C 38 70.420 70.852 -0.432 1 1 367 . 14 1 1 A 38 38 THR N N 38 116.498 114.964 1.534 1 1 368 . 14 1 1 A 39 39 PRO HA H 39 4.305 4.501 -0.196 1 1 375 . 14 1 1 A 39 39 PRO C C 39 176.355 176.913 -0.558 1 1 376 . 14 1 1 A 39 39 PRO CA C 39 63.304 62.850 0.454 1 1 377 . 14 1 1 A 39 39 PRO CB C 39 32.703 32.154 0.549 1 1 380 . 14 1 1 A 40 40 LEU H H 40 8.247 8.170 0.077 1 1 381 . 14 1 1 A 40 40 LEU HA H 40 4.704 4.212 0.492 1 1 391 . 14 1 1 A 40 40 LEU C C 40 176.631 177.111 -0.480 1 1 392 . 14 1 1 A 40 40 LEU CA C 40 55.352 55.052 0.300 1 1 393 . 14 1 1 A 40 40 LEU CB C 40 42.524 42.398 0.126 1 1 397 . 14 1 1 A 40 40 LEU N N 40 125.558 124.057 1.501 1 1 398 . 14 1 1 A 41 41 ALA H H 41 8.856 8.609 0.247 1 1 399 . 14 1 1 A 41 41 ALA HA H 41 5.465 5.153 0.312 1 1 403 . 14 1 1 A 41 41 ALA C C 41 176.658 176.066 0.592 1 1 404 . 14 1 1 A 41 41 ALA CA C 41 50.503 50.943 -0.440 1 1 405 . 14 1 1 A 41 41 ALA CB C 41 24.074 22.877 1.197 1 1 406 . 14 1 1 A 41 41 ALA N N 41 128.426 125.637 2.789 1 1 407 . 14 1 1 A 42 42 VAL H H 42 9.160 8.412 0.748 1 1 408 . 14 1 1 A 42 42 VAL HA H 42 3.803 4.141 -0.338 1 1 416 . 14 1 1 A 42 42 VAL C C 42 176.499 175.735 0.764 1 1 417 . 14 1 1 A 42 42 VAL CA C 42 64.196 63.710 0.486 1 1 418 . 14 1 1 A 42 42 VAL CB C 42 31.773 32.111 -0.338 1 1 421 . 14 1 1 A 42 42 VAL N N 42 119.342 122.367 -3.025 1 1 422 . 14 1 1 A 43 43 ARG H H 43 9.385 9.195 0.190 1 1 423 . 14 1 1 A 43 43 ARG HA H 43 4.527 4.453 0.074 1 1 430 . 14 1 1 A 43 43 ARG C C 43 175.332 175.795 -0.463 1 1 431 . 14 1 1 A 43 43 ARG CA C 43 55.340 57.061 -1.721 1 1 432 . 14 1 1 A 43 43 ARG CB C 43 32.242 32.182 0.060 1 1 435 . 14 1 1 A 43 43 ARG N N 43 131.043 128.130 2.913 1 1 436 . 14 1 1 A 44 44 GLY H H 44 7.872 7.865 0.007 1 1 437 . 14 1 1 A 44 44 GLY HA2 H 44 4.155 4.189 -0.034 1 1 438 . 14 1 1 A 44 44 GLY HA3 H 44 3.765 4.192 -0.427 1 1 439 . 14 1 1 A 44 44 GLY C C 44 170.284 171.763 -1.479 1 1 440 . 14 1 1 A 44 44 GLY CA C 44 45.602 44.031 1.571 1 1 441 . 14 1 1 A 44 44 GLY N N 44 107.517 107.512 0.005 1 1 442 . 14 1 1 A 45 45 LEU H H 45 8.455 9.581 -1.126 1 1 443 . 14 1 1 A 45 45 LEU HA H 45 4.915 4.952 -0.037 1 1 453 . 14 1 1 A 45 45 LEU C C 45 175.215 176.792 -1.577 1 1 454 . 14 1 1 A 45 45 LEU CA C 45 52.795 53.784 -0.989 1 1 455 . 14 1 1 A 45 45 LEU CB C 45 44.824 43.227 1.597 1 1 459 . 14 1 1 A 45 45 LEU N N 45 121.812 124.201 -2.389 1 1 460 . 14 1 1 A 46 46 LEU H H 46 7.582 9.019 -1.437 1 1 461 . 14 1 1 A 46 46 LEU HA H 46 4.208 4.404 -0.196 1 1 471 . 14 1 1 A 46 46 LEU C C 46 177.935 176.501 1.434 1 1 472 . 14 1 1 A 46 46 LEU CA C 46 54.984 55.762 -0.778 1 1 473 . 14 1 1 A 46 46 LEU CB C 46 42.815 42.686 0.129 1 1 477 . 14 1 1 A 46 46 LEU N N 46 124.670 128.466 -3.796 1 1 478 . 14 1 1 A 47 47 LYS H H 47 8.959 8.683 0.276 1 1 479 . 14 1 1 A 47 47 LYS HA H 47 3.875 3.932 -0.057 1 1 488 . 14 1 1 A 47 47 LYS C C 47 176.699 176.985 -0.286 1 1 489 . 14 1 1 A 47 47 LYS CA C 47 58.861 57.433 1.428 1 1 490 . 14 1 1 A 47 47 LYS CB C 47 32.076 32.411 -0.335 1 1 494 . 14 1 1 A 47 47 LYS N N 47 129.726 127.625 2.101 1 1 495 . 14 1 1 A 48 48 ASP H H 48 8.845 8.997 -0.152 1 1 496 . 14 1 1 A 48 48 ASP HA H 48 4.395 4.267 0.128 1 1 499 . 14 1 1 A 48 48 ASP C C 48 175.442 175.528 -0.086 1 1 500 . 14 1 1 A 48 48 ASP CA C 48 56.632 55.330 1.302 1 1 501 . 14 1 1 A 48 48 ASP CB C 48 39.740 39.389 0.351 1 1 502 . 14 1 1 A 48 48 ASP N N 48 119.883 120.303 -0.420 1 1 503 . 14 1 1 A 49 49 GLY H H 49 7.947 7.964 -0.017 1 1 504 . 14 1 1 A 49 49 GLY HA2 H 49 4.578 4.177 0.401 1 1 505 . 14 1 1 A 49 49 GLY HA3 H 49 3.748 4.185 -0.437 1 1 506 . 14 1 1 A 49 49 GLY C C 49 172.008 174.808 -2.800 1 1 507 . 14 1 1 A 49 49 GLY CA C 49 45.000 43.882 1.118 1 1 508 . 14 1 1 A 49 49 GLY N N 49 106.565 106.419 0.146 1 1 509 . 14 1 1 A 50 50 PRO HA H 50 4.268 4.326 -0.058 1 1 516 . 14 1 1 A 50 50 PRO C C 50 179.273 178.268 1.005 1 1 517 . 14 1 1 A 50 50 PRO CA C 50 65.791 65.136 0.655 1 1 518 . 14 1 1 A 50 50 PRO CB C 50 32.532 31.957 0.575 1 1 521 . 14 1 1 A 51 51 ALA H H 51 7.805 7.805 0.000 1 1 522 . 14 1 1 A 51 51 ALA HA H 51 4.167 4.120 0.047 1 1 526 . 14 1 1 A 51 51 ALA C C 51 178.947 180.018 -1.071 1 1 527 . 14 1 1 A 51 51 ALA CA C 51 55.079 54.950 0.129 1 1 528 . 14 1 1 A 51 51 ALA CB C 51 18.988 18.481 0.507 1 1 529 . 14 1 1 A 51 51 ALA N N 51 119.037 119.199 -0.162 1 1 530 . 14 1 1 A 52 52 GLN H H 52 9.614 7.756 1.858 1 1 531 . 14 1 1 A 52 52 GLN HA H 52 3.969 4.149 -0.180 1 1 538 . 14 1 1 A 52 52 GLN C C 52 178.509 178.323 0.186 1 1 539 . 14 1 1 A 52 52 GLN CA C 52 59.529 58.560 0.969 1 1 540 . 14 1 1 A 52 52 GLN CB C 52 29.107 28.740 0.367 1 1 542 . 14 1 1 A 52 52 GLN N N 52 122.017 117.861 4.156 1 1 544 . 14 1 1 A 53 53 ARG H H 53 8.524 8.379 0.145 1 1 545 . 14 1 1 A 53 53 ARG HA H 53 3.996 4.115 -0.119 1 1 552 . 14 1 1 A 53 53 ARG C C 53 178.479 178.994 -0.515 1 1 553 . 14 1 1 A 53 53 ARG CA C 53 58.825 59.646 -0.821 1 1 554 . 14 1 1 A 53 53 ARG CB C 53 30.546 30.340 0.206 1 1 557 . 14 1 1 A 53 53 ARG N N 53 116.703 118.762 -2.059 1 1 558 . 14 1 1 A 54 54 CYS H H 54 7.589 7.854 -0.265 1 1 559 . 14 1 1 A 54 54 CYS HA H 54 4.641 4.287 0.354 1 1 562 . 14 1 1 A 54 54 CYS C C 54 175.840 175.480 0.360 1 1 563 . 14 1 1 A 54 54 CYS CA C 54 59.724 60.102 -0.378 1 1 564 . 14 1 1 A 54 54 CYS CB C 54 27.419 28.751 -1.332 1 1 565 . 14 1 1 A 54 54 CYS N N 54 113.424 116.608 -3.184 1 1 566 . 14 1 1 A 55 55 GLY H H 55 7.436 8.099 -0.663 1 1 567 . 14 1 1 A 55 55 GLY HA2 H 55 4.082 3.897 0.185 1 1 568 . 14 1 1 A 55 55 GLY HA3 H 55 4.082 3.903 0.179 1 1 569 . 14 1 1 A 55 55 GLY C C 55 174.435 174.815 -0.380 1 1 570 . 14 1 1 A 55 55 GLY CA C 55 46.977 46.628 0.349 1 1 571 . 14 1 1 A 55 55 GLY N N 55 109.572 109.719 -0.147 1 1 572 . 14 1 1 A 56 56 ARG H H 56 7.860 7.761 0.099 1 1 573 . 14 1 1 A 56 56 ARG HA H 56 4.472 4.331 0.141 1 1 580 . 14 1 1 A 56 56 ARG C C 56 174.959 176.042 -1.083 1 1 581 . 14 1 1 A 56 56 ARG CA C 56 55.687 57.036 -1.349 1 1 582 . 14 1 1 A 56 56 ARG CB C 56 32.785 31.446 1.339 1 1 585 . 14 1 1 A 56 56 ARG N N 56 118.137 117.747 0.390 1 1 586 . 14 1 1 A 57 57 LEU H H 57 8.219 7.774 0.445 1 1 587 . 14 1 1 A 57 57 LEU HA H 57 4.926 4.552 0.374 1 1 597 . 14 1 1 A 57 57 LEU C C 57 175.333 175.612 -0.279 1 1 598 . 14 1 1 A 57 57 LEU CA C 57 53.043 54.251 -1.208 1 1 599 . 14 1 1 A 57 57 LEU CB C 57 46.459 42.628 3.831 1 1 603 . 14 1 1 A 57 57 LEU N N 57 117.496 120.808 -3.312 1 1 604 . 14 1 1 A 58 58 GLU H H 58 9.053 8.528 0.525 1 1 605 . 14 1 1 A 58 58 GLU HA H 58 4.460 4.822 -0.362 1 1 610 . 14 1 1 A 58 58 GLU C C 58 175.683 176.359 -0.676 1 1 611 . 14 1 1 A 58 58 GLU CA C 58 54.144 54.441 -0.297 1 1 612 . 14 1 1 A 58 58 GLU CB C 58 33.286 32.281 1.005 1 1 614 . 14 1 1 A 58 58 GLU N N 58 121.883 124.308 -2.425 1 1 615 . 14 1 1 A 59 59 VAL H H 59 8.727 8.594 0.133 1 1 616 . 14 1 1 A 59 59 VAL HA H 59 3.213 3.543 -0.330 1 1 624 . 14 1 1 A 59 59 VAL C C 59 177.728 176.996 0.732 1 1 625 . 14 1 1 A 59 59 VAL CA C 59 65.823 65.356 0.467 1 1 626 . 14 1 1 A 59 59 VAL CB C 59 31.151 31.252 -0.101 1 1 629 . 14 1 1 A 59 59 VAL N N 59 121.698 122.715 -1.017 1 1 630 . 14 1 1 A 60 60 GLY H H 60 9.172 8.634 0.538 1 1 631 . 14 1 1 A 60 60 GLY HA2 H 60 4.500 3.990 0.510 1 1 632 . 14 1 1 A 60 60 GLY HA3 H 60 3.469 3.997 -0.528 1 1 633 . 14 1 1 A 60 60 GLY C C 60 173.646 174.131 -0.485 1 1 634 . 14 1 1 A 60 60 GLY CA C 60 44.148 45.098 -0.950 1 1 635 . 14 1 1 A 60 60 GLY N N 60 117.734 115.359 2.375 1 1 636 . 14 1 1 A 61 61 ASP H H 61 7.877 7.964 -0.087 1 1 637 . 14 1 1 A 61 61 ASP HA H 61 4.551 4.620 -0.069 1 1 640 . 14 1 1 A 61 61 ASP C C 61 175.437 175.674 -0.237 1 1 641 . 14 1 1 A 61 61 ASP CA C 61 56.057 55.398 0.659 1 1 642 . 14 1 1 A 61 61 ASP CB C 61 40.660 41.532 -0.872 1 1 643 . 14 1 1 A 61 61 ASP N N 61 121.399 122.059 -0.660 1 1 644 . 14 1 1 A 62 62 LEU H H 62 8.773 8.554 0.219 1 1 645 . 14 1 1 A 62 62 LEU HA H 62 4.713 4.628 0.085 1 1 655 . 14 1 1 A 62 62 LEU C C 62 176.560 176.157 0.403 1 1 656 . 14 1 1 A 62 62 LEU CA C 62 54.259 54.008 0.251 1 1 657 . 14 1 1 A 62 62 LEU CB C 62 42.022 42.543 -0.521 1 1 661 . 14 1 1 A 62 62 LEU N N 62 120.566 124.642 -4.076 1 1 662 . 14 1 1 A 63 63 VAL H H 63 8.121 8.813 -0.692 1 1 663 . 14 1 1 A 63 63 VAL HA H 63 4.113 4.109 0.004 1 1 671 . 14 1 1 A 63 63 VAL C C 63 175.468 175.377 0.091 1 1 672 . 14 1 1 A 63 63 VAL CA C 63 61.763 62.371 -0.608 1 1 673 . 14 1 1 A 63 63 VAL CB C 63 31.413 31.867 -0.454 1 1 676 . 14 1 1 A 63 63 VAL N N 63 121.172 124.081 -2.909 1 1 677 . 14 1 1 A 64 64 LEU H H 64 9.077 8.707 0.370 1 1 678 . 14 1 1 A 64 64 LEU HA H 64 4.113 4.082 0.031 1 1 688 . 14 1 1 A 64 64 LEU C C 64 177.611 176.510 1.101 1 1 689 . 14 1 1 A 64 64 LEU CA C 64 56.614 56.000 0.614 1 1 690 . 14 1 1 A 64 64 LEU CB C 64 42.994 42.052 0.942 1 1 694 . 14 1 1 A 64 64 LEU N N 64 130.175 128.270 1.905 1 1 695 . 14 1 1 A 65 65 HIS H H 65 7.510 7.092 0.418 1 1 696 . 14 1 1 A 65 65 HIS HA H 65 5.297 5.143 0.154 1 1 701 . 14 1 1 A 65 65 HIS C C 65 174.833 173.877 0.956 1 1 702 . 14 1 1 A 65 65 HIS CA C 65 55.715 54.458 1.257 1 1 703 . 14 1 1 A 65 65 HIS CB C 65 35.813 34.521 1.292 1 1 706 . 14 1 1 A 65 65 HIS N N 65 115.096 113.563 1.533 1 1 707 . 14 1 1 A 66 66 ILE H H 66 8.675 8.599 0.076 1 1 708 . 14 1 1 A 66 66 ILE HA H 66 4.320 4.402 -0.082 1 1 718 . 14 1 1 A 66 66 ILE C C 66 175.571 175.934 -0.363 1 1 719 . 14 1 1 A 66 66 ILE CA C 66 60.510 60.305 0.205 1 1 720 . 14 1 1 A 66 66 ILE CB C 66 41.360 40.673 0.687 1 1 724 . 14 1 1 A 66 66 ILE N N 66 119.474 119.579 -0.105 1 1 725 . 14 1 1 A 67 67 ASN H H 67 10.170 9.860 0.310 1 1 726 . 14 1 1 A 67 67 ASN HA H 67 4.595 4.659 -0.064 1 1 731 . 14 1 1 A 67 67 ASN C C 67 175.349 175.628 -0.279 1 1 732 . 14 1 1 A 67 67 ASN CA C 67 54.589 54.662 -0.073 1 1 733 . 14 1 1 A 67 67 ASN CB C 67 37.267 37.424 -0.157 1 1 734 . 14 1 1 A 67 67 ASN N N 67 129.216 127.534 1.682 1 1 736 . 14 1 1 A 68 68 GLY H H 68 9.396 8.795 0.601 1 1 737 . 14 1 1 A 68 68 GLY HA2 H 68 4.155 3.870 0.285 1 1 738 . 14 1 1 A 68 68 GLY HA3 H 68 3.585 3.898 -0.313 1 1 739 . 14 1 1 A 68 68 GLY C C 68 173.920 173.911 0.009 1 1 740 . 14 1 1 A 68 68 GLY CA C 68 45.267 45.944 -0.677 1 1 741 . 14 1 1 A 68 68 GLY N N 68 104.067 103.834 0.233 1 1 742 . 14 1 1 A 69 69 GLU H H 69 7.815 7.691 0.124 1 1 743 . 14 1 1 A 69 69 GLU HA H 69 4.619 4.599 0.020 1 1 748 . 14 1 1 A 69 69 GLU C C 69 175.696 175.373 0.323 1 1 749 . 14 1 1 A 69 69 GLU CA C 69 54.803 54.961 -0.158 1 1 750 . 14 1 1 A 69 69 GLU CB C 69 32.281 31.983 0.298 1 1 752 . 14 1 1 A 69 69 GLU N N 69 121.337 120.808 0.529 1 1 753 . 14 1 1 A 70 70 SER H H 70 8.867 8.821 0.046 1 1 754 . 14 1 1 A 70 70 SER HA H 70 4.411 4.532 -0.121 1 1 757 . 14 1 1 A 70 70 SER C C 70 176.409 174.905 1.504 1 1 758 . 14 1 1 A 70 70 SER CA C 70 58.034 58.485 -0.451 1 1 759 . 14 1 1 A 70 70 SER CB C 70 63.432 62.990 0.442 1 1 760 . 14 1 1 A 70 70 SER N N 70 119.566 120.443 -0.877 1 1 761 . 14 1 1 A 71 71 THR H H 71 7.914 9.097 -1.183 1 1 762 . 14 1 1 A 71 71 THR HA H 71 4.162 4.375 -0.213 1 1 767 . 14 1 1 A 71 71 THR C C 71 175.433 175.808 -0.375 1 1 768 . 14 1 1 A 71 71 THR CA C 71 60.921 63.478 -2.557 1 1 769 . 14 1 1 A 71 71 THR CB C 71 68.671 69.025 -0.354 1 1 771 . 14 1 1 A 71 71 THR N N 71 114.514 120.337 -5.823 1 1 772 . 14 1 1 A 72 72 GLN H H 72 8.131 7.950 0.181 1 1 773 . 14 1 1 A 72 72 GLN HA H 72 4.020 4.088 -0.068 1 1 780 . 14 1 1 A 72 72 GLN C C 72 176.950 178.572 -1.622 1 1 781 . 14 1 1 A 72 72 GLN CA C 72 58.361 58.787 -0.426 1 1 782 . 14 1 1 A 72 72 GLN CB C 72 28.079 28.158 -0.079 1 1 784 . 14 1 1 A 72 72 GLN N N 72 124.809 120.595 4.214 1 1 786 . 14 1 1 A 73 73 GLY H H 73 9.025 8.336 0.689 1 1 787 . 14 1 1 A 73 73 GLY HA2 H 73 4.092 3.980 0.112 1 1 788 . 14 1 1 A 73 73 GLY HA3 H 73 3.754 3.984 -0.230 1 1 789 . 14 1 1 A 73 73 GLY C C 73 173.971 174.310 -0.339 1 1 790 . 14 1 1 A 73 73 GLY CA C 73 45.373 45.179 0.194 1 1 791 . 14 1 1 A 73 73 GLY N N 73 114.015 108.024 5.991 1 1 792 . 14 1 1 A 74 74 LEU H H 74 7.672 7.375 0.297 1 1 793 . 14 1 1 A 74 74 LEU HA H 74 4.768 4.734 0.034 1 1 803 . 14 1 1 A 74 74 LEU C C 74 179.964 176.405 3.559 1 1 804 . 14 1 1 A 74 74 LEU CA C 74 54.682 53.597 1.085 1 1 805 . 14 1 1 A 74 74 LEU CB C 74 42.355 43.603 -1.248 1 1 809 . 14 1 1 A 74 74 LEU N N 74 118.933 120.845 -1.912 1 1 810 . 14 1 1 A 75 75 THR H H 75 8.911 8.319 0.592 1 1 811 . 14 1 1 A 75 75 THR HA H 75 4.799 4.927 -0.128 1 1 816 . 14 1 1 A 75 75 THR C C 75 174.971 175.551 -0.580 1 1 817 . 14 1 1 A 75 75 THR CA C 75 60.571 59.560 1.011 1 1 818 . 14 1 1 A 75 75 THR CB C 75 71.058 72.002 -0.944 1 1 820 . 14 1 1 A 75 75 THR N N 75 113.687 111.452 2.235 1 1 821 . 14 1 1 A 76 76 HIS H H 76 9.474 9.199 0.275 1 1 822 . 14 1 1 A 76 76 HIS HA H 76 3.997 4.107 -0.110 1 1 826 . 14 1 1 A 76 76 HIS C C 76 176.917 176.660 0.257 1 1 827 . 14 1 1 A 76 76 HIS CA C 76 61.208 60.999 0.209 1 1 828 . 14 1 1 A 76 76 HIS CB C 76 29.729 30.474 -0.745 1 1 830 . 14 1 1 A 76 76 HIS N N 76 122.022 121.833 0.189 1 1 831 . 14 1 1 A 77 77 ALA H H 77 8.457 7.944 0.513 1 1 832 . 14 1 1 A 77 77 ALA HA H 77 3.946 3.763 0.183 1 1 836 . 14 1 1 A 77 77 ALA C C 77 181.502 180.055 1.447 1 1 837 . 14 1 1 A 77 77 ALA CA C 77 55.282 55.033 0.249 1 1 838 . 14 1 1 A 77 77 ALA CB C 77 18.162 18.165 -0.003 1 1 839 . 14 1 1 A 77 77 ALA N N 77 119.389 120.905 -1.516 1 1 840 . 14 1 1 A 78 78 GLN H H 78 7.991 8.125 -0.134 1 1 841 . 14 1 1 A 78 78 GLN HA H 78 4.029 4.005 0.024 1 1 848 . 14 1 1 A 78 78 GLN C C 78 179.215 178.018 1.197 1 1 849 . 14 1 1 A 78 78 GLN CA C 78 58.562 58.862 -0.300 1 1 850 . 14 1 1 A 78 78 GLN CB C 78 29.592 28.488 1.104 1 1 852 . 14 1 1 A 78 78 GLN N N 78 117.510 117.335 0.175 1 1 854 . 14 1 1 A 79 79 ALA H H 79 8.367 8.323 0.044 1 1 855 . 14 1 1 A 79 79 ALA HA H 79 3.775 4.082 -0.307 1 1 859 . 14 1 1 A 79 79 ALA C C 79 178.754 180.197 -1.443 1 1 860 . 14 1 1 A 79 79 ALA CA C 79 55.828 55.158 0.670 1 1 861 . 14 1 1 A 79 79 ALA CB C 79 18.733 18.554 0.179 1 1 862 . 14 1 1 A 79 79 ALA N N 79 123.463 122.373 1.090 1 1 863 . 14 1 1 A 80 80 VAL H H 80 8.228 8.199 0.029 1 1 864 . 14 1 1 A 80 80 VAL HA H 80 3.510 3.606 -0.096 1 1 872 . 14 1 1 A 80 80 VAL C C 80 179.087 178.526 0.561 1 1 873 . 14 1 1 A 80 80 VAL CA C 80 66.912 66.748 0.164 1 1 874 . 14 1 1 A 80 80 VAL CB C 80 31.781 31.623 0.158 1 1 877 . 14 1 1 A 80 80 VAL N N 80 116.720 118.282 -1.562 1 1 878 . 14 1 1 A 81 81 GLU H H 81 7.834 7.910 -0.076 1 1 879 . 14 1 1 A 81 81 GLU HA H 81 4.195 3.992 0.203 1 1 884 . 14 1 1 A 81 81 GLU C C 81 178.847 179.167 -0.320 1 1 885 . 14 1 1 A 81 81 GLU CA C 81 59.100 59.318 -0.218 1 1 886 . 14 1 1 A 81 81 GLU CB C 81 28.818 29.373 -0.555 1 1 888 . 14 1 1 A 81 81 GLU N N 81 121.198 119.295 1.903 1 1 889 . 14 1 1 A 82 82 ARG H H 82 8.004 8.073 -0.069 1 1 890 . 14 1 1 A 82 82 ARG HA H 82 4.021 4.071 -0.050 1 1 897 . 14 1 1 A 82 82 ARG C C 82 179.863 178.870 0.993 1 1 898 . 14 1 1 A 82 82 ARG CA C 82 58.487 58.750 -0.263 1 1 899 . 14 1 1 A 82 82 ARG CB C 82 29.026 29.850 -0.824 1 1 902 . 14 1 1 A 82 82 ARG N N 82 119.267 119.201 0.066 1 1 903 . 14 1 1 A 83 83 ILE H H 83 7.875 7.376 0.499 1 1 904 . 14 1 1 A 83 83 ILE HA H 83 3.467 3.742 -0.275 1 1 914 . 14 1 1 A 83 83 ILE C C 83 179.211 178.107 1.104 1 1 915 . 14 1 1 A 83 83 ILE CA C 83 65.491 65.019 0.472 1 1 916 . 14 1 1 A 83 83 ILE CB C 83 38.055 37.696 0.359 1 1 920 . 14 1 1 A 83 83 ILE N N 83 120.039 121.010 -0.971 1 1 921 . 14 1 1 A 84 84 ARG H H 84 8.207 7.944 0.263 1 1 922 . 14 1 1 A 84 84 ARG HA H 84 4.125 4.194 -0.069 1 1 929 . 14 1 1 A 84 84 ARG C C 84 179.062 177.967 1.095 1 1 930 . 14 1 1 A 84 84 ARG CA C 84 59.643 58.683 0.960 1 1 931 . 14 1 1 A 84 84 ARG CB C 84 30.197 30.164 0.033 1 1 934 . 14 1 1 A 84 84 ARG N N 84 121.315 120.807 0.508 1 1 935 . 14 1 1 A 85 85 ALA H H 85 8.366 8.368 -0.002 1 1 936 . 14 1 1 A 85 85 ALA HA H 85 4.241 4.243 -0.002 1 1 940 . 14 1 1 A 85 85 ALA C C 85 179.042 179.431 -0.389 1 1 941 . 14 1 1 A 85 85 ALA CA C 85 53.695 54.168 -0.473 1 1 942 . 14 1 1 A 85 85 ALA CB C 85 18.806 18.596 0.210 1 1 943 . 14 1 1 A 85 85 ALA N N 85 120.166 122.249 -2.083 1 1 944 . 14 1 1 A 86 86 GLY H H 86 7.470 8.721 -1.251 1 1 945 . 14 1 1 A 86 86 GLY HA2 H 86 4.134 3.950 0.184 1 1 946 . 14 1 1 A 86 86 GLY HA3 H 86 4.134 3.973 0.161 1 1 947 . 14 1 1 A 86 86 GLY C C 86 174.699 174.789 -0.090 1 1 948 . 14 1 1 A 86 86 GLY CA C 86 45.902 46.993 -1.091 1 1 949 . 14 1 1 A 86 86 GLY N N 86 104.067 106.443 -2.376 1 1 950 . 14 1 1 A 87 87 GLY H H 87 7.688 7.756 -0.068 1 1 951 . 14 1 1 A 87 87 GLY HA2 H 87 4.528 4.105 0.423 1 1 952 . 14 1 1 A 87 87 GLY HA3 H 87 3.835 4.112 -0.277 1 1 953 . 14 1 1 A 87 87 GLY C C 87 173.611 174.122 -0.511 1 1 954 . 14 1 1 A 87 87 GLY CA C 87 44.677 44.175 0.502 1 1 955 . 14 1 1 A 87 87 GLY N N 87 107.458 106.070 1.388 1 1 956 . 14 1 1 A 88 88 PRO HA H 88 4.306 4.459 -0.153 1 1 963 . 14 1 1 A 88 88 PRO C C 88 175.247 176.532 -1.285 1 1 964 . 14 1 1 A 88 88 PRO CA C 88 64.596 64.210 0.386 1 1 965 . 14 1 1 A 88 88 PRO CB C 88 32.405 32.197 0.208 1 1 968 . 14 1 1 A 89 89 GLN H H 89 7.606 8.099 -0.493 1 1 969 . 14 1 1 A 89 89 GLN HA H 89 5.343 4.904 0.439 1 1 976 . 14 1 1 A 89 89 GLN C C 89 173.750 174.502 -0.752 1 1 977 . 14 1 1 A 89 89 GLN CA C 89 54.626 54.731 -0.105 1 1 978 . 14 1 1 A 89 89 GLN CB C 89 31.870 31.196 0.674 1 1 980 . 14 1 1 A 89 89 GLN N N 89 116.964 118.665 -1.701 1 1 982 . 14 1 1 A 90 90 LEU H H 90 8.610 8.717 -0.107 1 1 983 . 14 1 1 A 90 90 LEU HA H 90 4.757 4.885 -0.128 1 1 993 . 14 1 1 A 90 90 LEU C C 90 173.607 175.238 -1.631 1 1 994 . 14 1 1 A 90 90 LEU CA C 90 53.730 53.709 0.021 1 1 995 . 14 1 1 A 90 90 LEU CB C 90 45.549 44.248 1.301 1 1 999 . 14 1 1 A 90 90 LEU N N 90 124.460 127.190 -2.730 1 1 1000 . 14 1 1 A 91 91 HIS H H 91 8.826 8.860 -0.034 1 1 1001 . 14 1 1 A 91 91 HIS HA H 91 5.207 5.528 -0.321 1 1 1006 . 14 1 1 A 91 91 HIS C C 91 174.745 173.282 1.463 1 1 1007 . 14 1 1 A 91 91 HIS CA C 91 55.093 54.146 0.947 1 1 1008 . 14 1 1 A 91 91 HIS CB C 91 32.686 32.293 0.393 1 1 1011 . 14 1 1 A 91 91 HIS N N 91 126.871 126.185 0.686 1 1 1012 . 14 1 1 A 92 92 LEU H H 92 9.024 8.522 0.502 1 1 1013 . 14 1 1 A 92 92 LEU HA H 92 5.203 4.936 0.267 1 1 1023 . 14 1 1 A 92 92 LEU C C 92 175.889 175.490 0.399 1 1 1024 . 14 1 1 A 92 92 LEU CA C 92 52.955 53.269 -0.314 1 1 1025 . 14 1 1 A 92 92 LEU CB C 92 46.233 44.613 1.620 1 1 1029 . 14 1 1 A 92 92 LEU N N 92 125.837 129.095 -3.258 1 1 1030 . 14 1 1 A 93 93 VAL H H 93 7.739 8.647 -0.908 1 1 1031 . 14 1 1 A 93 93 VAL HA H 93 4.568 4.683 -0.115 1 1 1039 . 14 1 1 A 93 93 VAL C C 93 174.538 174.805 -0.267 1 1 1040 . 14 1 1 A 93 93 VAL CA C 93 62.666 61.554 1.112 1 1 1041 . 14 1 1 A 93 93 VAL CB C 93 32.838 32.157 0.681 1 1 1044 . 14 1 1 A 93 93 VAL N N 93 120.566 124.247 -3.681 1 1 1045 . 14 1 1 A 94 94 ILE H H 94 8.965 8.842 0.123 1 1 1046 . 14 1 1 A 94 94 ILE HA H 94 5.152 4.820 0.332 1 1 1056 . 14 1 1 A 94 94 ILE C C 94 174.723 174.371 0.352 1 1 1057 . 14 1 1 A 94 94 ILE CA C 94 56.360 59.001 -2.641 1 1 1058 . 14 1 1 A 94 94 ILE CB C 94 39.214 40.466 -1.252 1 1 1062 . 14 1 1 A 94 94 ILE N N 94 128.952 127.887 1.065 1 1 1063 . 14 1 1 A 95 95 ARG H H 95 8.286 8.322 -0.036 1 1 1064 . 14 1 1 A 95 95 ARG HA H 95 4.715 5.012 -0.297 1 1 1071 . 14 1 1 A 95 95 ARG C C 95 173.665 174.969 -1.304 1 1 1072 . 14 1 1 A 95 95 ARG CA C 95 54.982 54.528 0.454 1 1 1073 . 14 1 1 A 95 95 ARG CB C 95 34.833 33.924 0.909 1 1 1076 . 14 1 1 A 95 95 ARG N N 95 120.920 125.502 -4.582 1 1 1077 . 14 1 1 A 96 96 ARG H H 96 9.238 8.696 0.542 1 1 1078 . 14 1 1 A 96 96 ARG HA H 96 4.984 4.534 0.450 1 1 1086 . 14 1 1 A 96 96 ARG C C 96 174.582 174.939 -0.357 1 1 1087 . 14 1 1 A 96 96 ARG CA C 96 53.219 54.160 -0.941 1 1 1088 . 14 1 1 A 96 96 ARG CB C 96 31.369 30.992 0.377 1 1 1091 . 14 1 1 A 96 96 ARG N N 96 129.955 128.396 1.559 1 1 1093 . 14 1 1 A 97 97 PRO HA H 97 4.424 4.610 -0.186 1 1 1100 . 14 1 1 A 97 97 PRO C C 97 176.289 176.930 -0.641 1 1 1101 . 14 1 1 A 97 97 PRO CA C 97 63.322 62.301 1.021 1 1 1102 . 14 1 1 A 97 97 PRO CB C 97 32.240 33.429 -1.189 1 1 1105 . 14 1 1 A 98 98 LEU H H 98 8.325 8.656 -0.331 1 1 1106 . 14 1 1 A 98 98 LEU HA H 98 4.399 4.260 0.139 1 1 1116 . 14 1 1 A 98 98 LEU C C 98 177.395 176.458 0.937 1 1 1117 . 14 1 1 A 98 98 LEU CA C 98 55.165 57.306 -2.141 1 1 1118 . 14 1 1 A 98 98 LEU CB C 98 42.419 41.912 0.507 1 1 1122 . 14 1 1 A 98 98 LEU N N 98 122.396 119.834 2.562 1 1 1123 . 14 1 1 A 99 99 SER H H 99 8.333 7.949 0.384 1 1 1124 . 14 1 1 A 99 99 SER HA H 99 4.483 4.680 -0.197 1 1 1127 . 14 1 1 A 99 99 SER C C 99 174.489 174.855 -0.366 1 1 1128 . 14 1 1 A 99 99 SER CA C 99 58.138 56.577 1.561 1 1 1129 . 14 1 1 A 99 99 SER CB C 99 63.846 64.578 -0.732 1 1 1130 . 14 1 1 A 99 99 SER N N 99 116.892 110.028 6.864 1 1 1131 . 14 1 1 A 100 100 GLY H H 100 8.253 8.665 -0.412 1 1 1132 . 14 1 1 A 100 100 GLY HA2 H 100 4.177 3.953 0.224 1 1 1133 . 14 1 1 A 100 100 GLY HA3 H 100 4.101 3.957 0.144 1 1 1134 . 14 1 1 A 100 100 GLY C C 100 171.838 174.273 -2.435 1 1 1135 . 14 1 1 A 100 100 GLY CA C 100 44.679 46.786 -2.107 1 1 1136 . 14 1 1 A 100 100 GLY N N 100 110.703 110.686 0.017 1 1 1137 . 14 1 1 A 101 101 PRO HA H 101 4.480 4.751 -0.271 1 1 1144 . 14 1 1 A 101 101 PRO C C 101 177.411 175.462 1.949 1 1 1145 . 14 1 1 A 101 101 PRO CA C 101 63.312 62.761 0.551 1 1 1146 . 14 1 1 A 101 101 PRO CB C 101 32.158 31.572 0.586 1 1 1149 . 14 1 1 A 102 102 SER H H 102 8.517 8.700 -0.183 1 1 1150 . 14 1 1 A 102 102 SER C C 102 174.655 174.236 0.419 1 1 1151 . 14 1 1 A 102 102 SER CA C 102 58.438 57.505 0.933 1 1 1152 . 14 1 1 A 102 102 SER CB C 102 63.970 65.609 -1.639 1 1 1 . 15 1 1 A 2 2 SER HA H 2 4.493 4.611 -0.118 1 1 4 . 15 1 1 A 2 2 SER C C 2 174.671 174.770 -0.099 1 1 5 . 15 1 1 A 2 2 SER CA C 2 58.438 60.224 -1.786 1 1 6 . 15 1 1 A 2 2 SER CB C 2 63.558 64.068 -0.510 1 1 7 . 15 1 1 A 3 3 SER H H 3 8.324 7.817 0.507 1 1 8 . 15 1 1 A 3 3 SER HA H 3 4.493 4.843 -0.350 1 1 11 . 15 1 1 A 3 3 SER C C 3 173.918 173.088 0.830 1 1 12 . 15 1 1 A 3 3 SER CA C 3 58.455 57.491 0.964 1 1 13 . 15 1 1 A 3 3 SER CB C 3 63.929 65.466 -1.537 1 1 14 . 15 1 1 A 3 3 SER N N 3 117.862 112.064 5.798 1 1 15 . 15 1 1 A 4 4 GLY H H 4 8.045 8.949 -0.904 1 1 16 . 15 1 1 A 4 4 GLY C C 4 179.001 173.450 5.551 1 1 17 . 15 1 1 A 4 4 GLY CA C 4 46.201 44.600 1.601 1 1 18 . 15 1 1 A 4 4 GLY N N 4 116.862 114.354 2.508 1 1 19 . 15 1 1 A 6 6 SER HA H 6 4.461 4.385 0.076 1 1 22 . 15 1 1 A 6 6 SER C C 6 175.170 174.263 0.907 1 1 23 . 15 1 1 A 6 6 SER CA C 6 58.755 60.397 -1.642 1 1 24 . 15 1 1 A 6 6 SER CB C 6 63.862 63.573 0.289 1 1 25 . 15 1 1 A 7 7 GLY H H 7 8.432 8.472 -0.040 1 1 26 . 15 1 1 A 7 7 GLY HA2 H 7 3.966 4.015 -0.049 1 1 27 . 15 1 1 A 7 7 GLY C C 7 174.309 173.512 0.797 1 1 28 . 15 1 1 A 7 7 GLY CA C 7 45.408 45.657 -0.249 1 1 29 . 15 1 1 A 7 7 GLY N N 7 110.678 114.361 -3.683 1 1 30 . 15 1 1 A 8 8 GLN H H 8 8.210 8.386 -0.176 1 1 31 . 15 1 1 A 8 8 GLN HA H 8 4.324 4.932 -0.608 1 1 38 . 15 1 1 A 8 8 GLN C C 8 176.037 175.145 0.892 1 1 39 . 15 1 1 A 8 8 GLN CA C 8 55.970 53.928 2.042 1 1 40 . 15 1 1 A 8 8 GLN CB C 8 29.562 31.823 -2.261 1 1 42 . 15 1 1 A 8 8 GLN N N 8 119.977 121.264 -1.287 1 1 44 . 15 1 1 A 9 9 ALA H H 9 8.394 8.346 0.048 1 1 45 . 15 1 1 A 9 9 ALA HA H 9 4.319 4.197 0.122 1 1 49 . 15 1 1 A 9 9 ALA C C 9 177.635 177.658 -0.023 1 1 50 . 15 1 1 A 9 9 ALA CA C 9 52.531 53.005 -0.474 1 1 51 . 15 1 1 A 9 9 ALA CB C 9 19.136 18.825 0.311 1 1 52 . 15 1 1 A 9 9 ALA N N 9 125.301 126.255 -0.954 1 1 53 . 15 1 1 A 10 10 SER H H 10 8.259 8.931 -0.672 1 1 54 . 15 1 1 A 10 10 SER HA H 10 4.440 5.358 -0.918 1 1 57 . 15 1 1 A 10 10 SER C C 10 175.138 173.945 1.193 1 1 58 . 15 1 1 A 10 10 SER CA C 10 58.649 57.110 1.539 1 1 59 . 15 1 1 A 10 10 SER CB C 10 63.888 66.870 -2.982 1 1 60 . 15 1 1 A 10 10 SER N N 10 114.874 120.514 -5.640 1 1 61 . 15 1 1 A 11 11 GLY H H 11 8.493 8.294 0.199 1 1 62 . 15 1 1 A 11 11 GLY HA2 H 11 4.039 3.886 0.153 1 1 63 . 15 1 1 A 11 11 GLY HA3 H 11 4.039 4.015 0.024 1 1 64 . 15 1 1 A 11 11 GLY C C 11 173.678 174.642 -0.964 1 1 65 . 15 1 1 A 11 11 GLY CA C 11 45.531 46.223 -0.692 1 1 66 . 15 1 1 A 11 11 GLY N N 11 110.301 109.811 0.490 1 1 67 . 15 1 1 A 12 12 HIS H H 12 7.970 7.162 0.808 1 1 68 . 15 1 1 A 12 12 HIS HA H 12 5.442 4.333 1.109 1 1 73 . 15 1 1 A 12 12 HIS C C 12 175.304 174.783 0.521 1 1 74 . 15 1 1 A 12 12 HIS CA C 12 55.095 56.843 -1.748 1 1 75 . 15 1 1 A 12 12 HIS CB C 12 31.849 30.712 1.137 1 1 78 . 15 1 1 A 12 12 HIS N N 12 119.432 118.916 0.516 1 1 79 . 15 1 1 A 13 13 PHE H H 13 8.940 8.418 0.522 1 1 80 . 15 1 1 A 13 13 PHE HA H 13 5.072 5.374 -0.302 1 1 88 . 15 1 1 A 13 13 PHE C C 13 172.688 172.701 -0.013 1 1 89 . 15 1 1 A 13 13 PHE CA C 13 56.269 55.242 1.027 1 1 90 . 15 1 1 A 13 13 PHE CB C 13 40.835 41.807 -0.972 1 1 96 . 15 1 1 A 13 13 PHE N N 13 118.413 120.426 -2.013 1 1 97 . 15 1 1 A 14 14 SER H H 14 8.709 8.827 -0.118 1 1 98 . 15 1 1 A 14 14 SER HA H 14 5.580 5.619 -0.039 1 1 101 . 15 1 1 A 14 14 SER C C 14 174.119 172.673 1.446 1 1 102 . 15 1 1 A 14 14 SER CA C 14 56.974 56.752 0.222 1 1 103 . 15 1 1 A 14 14 SER CB C 14 65.778 66.103 -0.325 1 1 104 . 15 1 1 A 14 14 SER N N 14 115.082 116.270 -1.188 1 1 105 . 15 1 1 A 15 15 VAL H H 15 8.801 8.297 0.504 1 1 106 . 15 1 1 A 15 15 VAL HA H 15 4.373 4.750 -0.377 1 1 114 . 15 1 1 A 15 15 VAL C C 15 173.002 174.901 -1.899 1 1 115 . 15 1 1 A 15 15 VAL CA C 15 61.312 61.157 0.155 1 1 116 . 15 1 1 A 15 15 VAL CB C 15 36.461 34.842 1.619 1 1 119 . 15 1 1 A 15 15 VAL N N 15 121.148 121.285 -0.137 1 1 120 . 15 1 1 A 16 16 GLU H H 16 8.383 8.829 -0.446 1 1 121 . 15 1 1 A 16 16 GLU HA H 16 5.299 5.189 0.110 1 1 126 . 15 1 1 A 16 16 GLU C C 16 175.408 175.581 -0.173 1 1 127 . 15 1 1 A 16 16 GLU CA C 16 54.594 55.614 -1.020 1 1 128 . 15 1 1 A 16 16 GLU CB C 16 31.993 30.787 1.206 1 1 130 . 15 1 1 A 16 16 GLU N N 16 125.925 127.077 -1.152 1 1 131 . 15 1 1 A 17 17 LEU H H 17 9.172 8.691 0.481 1 1 132 . 15 1 1 A 17 17 LEU HA H 17 5.000 5.163 -0.163 1 1 142 . 15 1 1 A 17 17 LEU C C 17 175.596 175.740 -0.144 1 1 143 . 15 1 1 A 17 17 LEU CA C 17 52.919 53.495 -0.576 1 1 144 . 15 1 1 A 17 17 LEU CB C 17 47.317 46.155 1.162 1 1 148 . 15 1 1 A 17 17 LEU N N 17 122.761 126.311 -3.550 1 1 149 . 15 1 1 A 18 18 VAL H H 18 8.546 8.904 -0.358 1 1 150 . 15 1 1 A 18 18 VAL HA H 18 4.831 4.679 0.152 1 1 158 . 15 1 1 A 18 18 VAL C C 18 175.783 175.956 -0.173 1 1 159 . 15 1 1 A 18 18 VAL CA C 18 61.277 61.349 -0.072 1 1 160 . 15 1 1 A 18 18 VAL CB C 18 33.600 33.027 0.573 1 1 163 . 15 1 1 A 18 18 VAL N N 18 122.523 124.158 -1.635 1 1 164 . 15 1 1 A 19 19 ARG H H 19 8.495 8.125 0.370 1 1 165 . 15 1 1 A 19 19 ARG HA H 19 2.868 2.705 0.163 1 1 172 . 15 1 1 A 19 19 ARG C C 19 176.248 176.073 0.175 1 1 173 . 15 1 1 A 19 19 ARG CA C 19 58.138 57.090 1.048 1 1 174 . 15 1 1 A 19 19 ARG CB C 19 30.839 30.467 0.372 1 1 177 . 15 1 1 A 19 19 ARG N N 19 127.015 127.603 -0.588 1 1 178 . 15 1 1 A 20 20 GLY H H 20 7.244 8.076 -0.832 1 1 179 . 15 1 1 A 20 20 GLY HA2 H 20 4.504 4.001 0.503 1 1 180 . 15 1 1 A 20 20 GLY HA3 H 20 3.750 4.024 -0.274 1 1 181 . 15 1 1 A 20 20 GLY C C 20 175.286 172.564 2.722 1 1 182 . 15 1 1 A 20 20 GLY CA C 20 44.131 44.320 -0.189 1 1 183 . 15 1 1 A 20 20 GLY N N 20 112.266 112.666 -0.400 1 1 184 . 15 1 1 A 21 21 TYR HA H 21 4.219 4.603 -0.384 1 1 191 . 15 1 1 A 21 21 TYR C C 21 176.309 175.333 0.976 1 1 192 . 15 1 1 A 21 21 TYR CA C 21 60.518 56.962 3.556 1 1 193 . 15 1 1 A 21 21 TYR CB C 21 37.826 38.068 -0.242 1 1 198 . 15 1 1 A 22 22 ALA H H 22 8.272 8.425 -0.153 1 1 199 . 15 1 1 A 22 22 ALA HA H 22 4.404 3.958 0.446 1 1 203 . 15 1 1 A 22 22 ALA C C 22 177.312 176.388 0.924 1 1 204 . 15 1 1 A 22 22 ALA CA C 22 50.816 53.286 -2.470 1 1 205 . 15 1 1 A 22 22 ALA CB C 22 18.455 18.143 0.312 1 1 206 . 15 1 1 A 22 22 ALA N N 22 121.539 129.042 -7.503 1 1 207 . 15 1 1 A 23 23 GLY H H 23 7.495 7.683 -0.188 1 1 208 . 15 1 1 A 23 23 GLY HA2 H 23 4.541 4.114 0.427 1 1 209 . 15 1 1 A 23 23 GLY HA3 H 23 3.238 4.172 -0.934 1 1 210 . 15 1 1 A 23 23 GLY C C 23 175.043 174.110 0.933 1 1 211 . 15 1 1 A 23 23 GLY CA C 23 44.897 45.356 -0.459 1 1 212 . 15 1 1 A 23 23 GLY N N 23 106.744 104.617 2.127 1 1 213 . 15 1 1 A 24 24 PHE H H 24 7.242 8.810 -1.568 1 1 214 . 15 1 1 A 24 24 PHE HA H 24 4.369 4.500 -0.131 1 1 222 . 15 1 1 A 24 24 PHE C C 24 175.902 176.487 -0.585 1 1 223 . 15 1 1 A 24 24 PHE CA C 24 60.347 58.577 1.770 1 1 224 . 15 1 1 A 24 24 PHE CB C 24 39.575 39.923 -0.348 1 1 230 . 15 1 1 A 25 25 GLY H H 25 8.820 8.659 0.161 1 1 231 . 15 1 1 A 25 25 GLY HA2 H 25 4.134 3.987 0.147 1 1 232 . 15 1 1 A 25 25 GLY HA3 H 25 3.913 3.991 -0.078 1 1 233 . 15 1 1 A 25 25 GLY C C 25 174.585 174.334 0.251 1 1 234 . 15 1 1 A 25 25 GLY CA C 25 47.030 46.270 0.760 1 1 235 . 15 1 1 A 25 25 GLY N N 25 107.899 108.822 -0.923 1 1 236 . 15 1 1 A 26 26 LEU H H 26 7.991 7.850 0.141 1 1 237 . 15 1 1 A 26 26 LEU HA H 26 4.990 4.830 0.160 1 1 247 . 15 1 1 A 26 26 LEU C C 26 174.135 175.092 -0.957 1 1 248 . 15 1 1 A 26 26 LEU CA C 26 53.906 53.617 0.289 1 1 249 . 15 1 1 A 26 26 LEU CB C 26 45.939 44.331 1.608 1 1 253 . 15 1 1 A 26 26 LEU N N 26 122.133 122.642 -0.509 1 1 254 . 15 1 1 A 27 27 THR H H 27 8.657 8.778 -0.121 1 1 255 . 15 1 1 A 27 27 THR HA H 27 4.662 5.197 -0.535 1 1 260 . 15 1 1 A 27 27 THR C C 27 174.074 173.542 0.532 1 1 261 . 15 1 1 A 27 27 THR CA C 27 61.382 61.303 0.079 1 1 262 . 15 1 1 A 27 27 THR CB C 27 70.010 71.788 -1.778 1 1 264 . 15 1 1 A 27 27 THR N N 27 121.262 122.710 -1.448 1 1 265 . 15 1 1 A 28 28 LEU H H 28 9.692 8.951 0.741 1 1 266 . 15 1 1 A 28 28 LEU HA H 28 5.297 5.262 0.035 1 1 276 . 15 1 1 A 28 28 LEU C C 28 175.414 176.226 -0.812 1 1 277 . 15 1 1 A 28 28 LEU CA C 28 53.219 53.214 0.005 1 1 278 . 15 1 1 A 28 28 LEU CB C 28 45.049 45.040 0.009 1 1 282 . 15 1 1 A 28 28 LEU N N 28 128.374 125.323 3.051 1 1 283 . 15 1 1 A 29 29 GLY H H 29 8.818 8.698 0.120 1 1 284 . 15 1 1 A 29 29 GLY HA2 H 29 4.089 4.145 -0.056 1 1 285 . 15 1 1 A 29 29 GLY HA3 H 29 3.664 4.158 -0.494 1 1 286 . 15 1 1 A 29 29 GLY C C 29 171.700 173.898 -2.198 1 1 287 . 15 1 1 A 29 29 GLY CA C 29 44.086 44.842 -0.756 1 1 288 . 15 1 1 A 29 29 GLY N N 29 106.574 110.753 -4.179 1 1 289 . 15 1 1 A 30 30 GLY H H 30 8.339 8.434 -0.095 1 1 290 . 15 1 1 A 30 30 GLY HA2 H 30 4.434 4.095 0.339 1 1 291 . 15 1 1 A 30 30 GLY HA3 H 30 3.554 4.105 -0.551 1 1 292 . 15 1 1 A 30 30 GLY C C 30 174.290 173.380 0.910 1 1 293 . 15 1 1 A 30 30 GLY CA C 30 44.879 44.784 0.095 1 1 294 . 15 1 1 A 30 30 GLY N N 30 107.245 111.259 -4.014 1 1 295 . 15 1 1 A 31 31 GLY H H 31 7.292 8.649 -1.357 1 1 296 . 15 1 1 A 31 31 GLY HA2 H 31 4.439 4.111 0.328 1 1 297 . 15 1 1 A 31 31 GLY HA3 H 31 4.000 4.131 -0.131 1 1 298 . 15 1 1 A 31 31 GLY C C 31 174.513 173.469 1.044 1 1 299 . 15 1 1 A 31 31 GLY CA C 31 43.589 44.701 -1.112 1 1 300 . 15 1 1 A 31 31 GLY N N 31 107.984 108.285 -0.301 1 1 301 . 15 1 1 A 32 32 ARG H H 32 8.065 8.415 -0.350 1 1 302 . 15 1 1 A 32 32 ARG HA H 32 4.380 4.546 -0.166 1 1 309 . 15 1 1 A 32 32 ARG C C 32 176.139 175.054 1.085 1 1 310 . 15 1 1 A 32 32 ARG CA C 32 57.354 55.731 1.623 1 1 311 . 15 1 1 A 32 32 ARG CB C 32 30.080 30.762 -0.682 1 1 314 . 15 1 1 A 32 32 ARG N N 32 121.733 121.726 0.007 1 1 315 . 15 1 1 A 33 33 ASP H H 33 8.916 9.028 -0.112 1 1 316 . 15 1 1 A 33 33 ASP HA H 33 4.799 4.982 -0.183 1 1 319 . 15 1 1 A 33 33 ASP C C 33 176.381 176.961 -0.580 1 1 320 . 15 1 1 A 33 33 ASP CA C 33 53.783 52.815 0.968 1 1 321 . 15 1 1 A 33 33 ASP CB C 33 43.712 43.788 -0.076 1 1 322 . 15 1 1 A 33 33 ASP N N 33 126.313 125.992 0.321 1 1 323 . 15 1 1 A 34 34 VAL H H 34 8.372 8.449 -0.077 1 1 324 . 15 1 1 A 34 34 VAL HA H 34 3.943 3.872 0.071 1 1 329 . 15 1 1 A 34 34 VAL C C 34 176.591 176.426 0.165 1 1 330 . 15 1 1 A 34 34 VAL CA C 34 64.644 65.129 -0.485 1 1 331 . 15 1 1 A 34 34 VAL CB C 34 31.796 31.848 -0.052 1 1 333 . 15 1 1 A 34 34 VAL N N 34 121.465 124.197 -2.732 1 1 334 . 15 1 1 A 35 35 ALA H H 35 8.577 7.891 0.686 1 1 335 . 15 1 1 A 35 35 ALA HA H 35 4.386 4.562 -0.176 1 1 339 . 15 1 1 A 35 35 ALA C C 35 177.532 176.647 0.885 1 1 340 . 15 1 1 A 35 35 ALA CA C 35 52.589 51.280 1.309 1 1 341 . 15 1 1 A 35 35 ALA CB C 35 19.095 19.897 -0.802 1 1 342 . 15 1 1 A 35 35 ALA N N 35 123.222 120.249 2.973 1 1 343 . 15 1 1 A 36 36 GLY H H 36 7.816 7.694 0.122 1 1 344 . 15 1 1 A 36 36 GLY HA2 H 36 4.274 4.247 0.027 1 1 345 . 15 1 1 A 36 36 GLY HA3 H 36 3.723 4.249 -0.526 1 1 346 . 15 1 1 A 36 36 GLY C C 36 172.610 171.470 1.140 1 1 347 . 15 1 1 A 36 36 GLY CA C 36 45.161 45.128 0.033 1 1 348 . 15 1 1 A 36 36 GLY N N 36 107.925 107.246 0.679 1 1 349 . 15 1 1 A 37 37 ASP H H 37 8.604 8.828 -0.224 1 1 350 . 15 1 1 A 37 37 ASP HA H 37 4.810 5.372 -0.562 1 1 353 . 15 1 1 A 37 37 ASP C C 37 176.081 174.803 1.278 1 1 354 . 15 1 1 A 37 37 ASP CA C 37 54.700 53.205 1.495 1 1 355 . 15 1 1 A 37 37 ASP CB C 37 41.076 43.310 -2.234 1 1 356 . 15 1 1 A 37 37 ASP N N 37 124.969 122.411 2.558 1 1 357 . 15 1 1 A 38 38 THR H H 38 7.679 8.567 -0.888 1 1 358 . 15 1 1 A 38 38 THR HA H 38 4.704 4.960 -0.256 1 1 363 . 15 1 1 A 38 38 THR C C 38 172.712 171.307 1.405 1 1 364 . 15 1 1 A 38 38 THR CA C 38 59.810 58.463 1.347 1 1 365 . 15 1 1 A 38 38 THR CB C 38 70.420 70.663 -0.243 1 1 367 . 15 1 1 A 38 38 THR N N 38 116.498 113.262 3.236 1 1 368 . 15 1 1 A 39 39 PRO HA H 39 4.305 4.470 -0.165 1 1 375 . 15 1 1 A 39 39 PRO C C 39 176.355 176.890 -0.535 1 1 376 . 15 1 1 A 39 39 PRO CA C 39 63.304 62.886 0.418 1 1 377 . 15 1 1 A 39 39 PRO CB C 39 32.703 32.043 0.660 1 1 380 . 15 1 1 A 40 40 LEU H H 40 8.247 8.198 0.049 1 1 381 . 15 1 1 A 40 40 LEU HA H 40 4.704 4.285 0.419 1 1 391 . 15 1 1 A 40 40 LEU C C 40 176.631 177.070 -0.439 1 1 392 . 15 1 1 A 40 40 LEU CA C 40 55.352 55.221 0.131 1 1 393 . 15 1 1 A 40 40 LEU CB C 40 42.524 41.803 0.721 1 1 397 . 15 1 1 A 40 40 LEU N N 40 125.558 124.165 1.393 1 1 398 . 15 1 1 A 41 41 ALA H H 41 8.856 8.729 0.127 1 1 399 . 15 1 1 A 41 41 ALA HA H 41 5.465 5.223 0.242 1 1 403 . 15 1 1 A 41 41 ALA C C 41 176.658 176.419 0.239 1 1 404 . 15 1 1 A 41 41 ALA CA C 41 50.503 50.836 -0.333 1 1 405 . 15 1 1 A 41 41 ALA CB C 41 24.074 23.079 0.995 1 1 406 . 15 1 1 A 41 41 ALA N N 41 128.426 126.005 2.421 1 1 407 . 15 1 1 A 42 42 VAL H H 42 9.160 8.382 0.778 1 1 408 . 15 1 1 A 42 42 VAL HA H 42 3.803 4.113 -0.310 1 1 416 . 15 1 1 A 42 42 VAL C C 42 176.499 175.732 0.767 1 1 417 . 15 1 1 A 42 42 VAL CA C 42 64.196 63.719 0.477 1 1 418 . 15 1 1 A 42 42 VAL CB C 42 31.773 32.007 -0.234 1 1 421 . 15 1 1 A 42 42 VAL N N 42 119.342 122.943 -3.601 1 1 422 . 15 1 1 A 43 43 ARG H H 43 9.385 9.266 0.119 1 1 423 . 15 1 1 A 43 43 ARG HA H 43 4.527 4.451 0.076 1 1 430 . 15 1 1 A 43 43 ARG C C 43 175.332 175.871 -0.539 1 1 431 . 15 1 1 A 43 43 ARG CA C 43 55.340 57.006 -1.666 1 1 432 . 15 1 1 A 43 43 ARG CB C 43 32.242 31.961 0.281 1 1 435 . 15 1 1 A 43 43 ARG N N 43 131.043 128.433 2.610 1 1 436 . 15 1 1 A 44 44 GLY H H 44 7.872 7.870 0.002 1 1 437 . 15 1 1 A 44 44 GLY HA2 H 44 4.155 4.202 -0.047 1 1 438 . 15 1 1 A 44 44 GLY HA3 H 44 3.765 4.205 -0.440 1 1 439 . 15 1 1 A 44 44 GLY C C 44 170.284 171.732 -1.448 1 1 440 . 15 1 1 A 44 44 GLY CA C 44 45.602 43.985 1.617 1 1 441 . 15 1 1 A 44 44 GLY N N 44 107.517 107.846 -0.329 1 1 442 . 15 1 1 A 45 45 LEU H H 45 8.455 9.474 -1.019 1 1 443 . 15 1 1 A 45 45 LEU HA H 45 4.915 4.937 -0.022 1 1 453 . 15 1 1 A 45 45 LEU C C 45 175.215 176.820 -1.605 1 1 454 . 15 1 1 A 45 45 LEU CA C 45 52.795 53.988 -1.193 1 1 455 . 15 1 1 A 45 45 LEU CB C 45 44.824 43.640 1.184 1 1 459 . 15 1 1 A 45 45 LEU N N 45 121.812 124.010 -2.198 1 1 460 . 15 1 1 A 46 46 LEU H H 46 7.582 8.681 -1.099 1 1 461 . 15 1 1 A 46 46 LEU HA H 46 4.208 4.361 -0.153 1 1 471 . 15 1 1 A 46 46 LEU C C 46 177.935 176.617 1.318 1 1 472 . 15 1 1 A 46 46 LEU CA C 46 54.984 55.998 -1.014 1 1 473 . 15 1 1 A 46 46 LEU CB C 46 42.815 42.619 0.196 1 1 477 . 15 1 1 A 46 46 LEU N N 46 124.670 128.519 -3.849 1 1 478 . 15 1 1 A 47 47 LYS H H 47 8.959 8.581 0.378 1 1 479 . 15 1 1 A 47 47 LYS HA H 47 3.875 3.911 -0.036 1 1 488 . 15 1 1 A 47 47 LYS C C 47 176.699 177.056 -0.357 1 1 489 . 15 1 1 A 47 47 LYS CA C 47 58.861 57.745 1.116 1 1 490 . 15 1 1 A 47 47 LYS CB C 47 32.076 32.142 -0.066 1 1 494 . 15 1 1 A 47 47 LYS N N 47 129.726 127.121 2.605 1 1 495 . 15 1 1 A 48 48 ASP H H 48 8.845 8.916 -0.071 1 1 496 . 15 1 1 A 48 48 ASP HA H 48 4.395 4.382 0.013 1 1 499 . 15 1 1 A 48 48 ASP C C 48 175.442 175.583 -0.141 1 1 500 . 15 1 1 A 48 48 ASP CA C 48 56.632 54.958 1.674 1 1 501 . 15 1 1 A 48 48 ASP CB C 48 39.740 38.692 1.048 1 1 502 . 15 1 1 A 48 48 ASP N N 48 119.883 125.656 -5.773 1 1 503 . 15 1 1 A 49 49 GLY H H 49 7.947 7.798 0.149 1 1 504 . 15 1 1 A 49 49 GLY HA2 H 49 4.578 4.106 0.472 1 1 505 . 15 1 1 A 49 49 GLY HA3 H 49 3.748 4.111 -0.363 1 1 506 . 15 1 1 A 49 49 GLY C C 49 172.008 174.706 -2.698 1 1 507 . 15 1 1 A 49 49 GLY CA C 49 45.000 43.874 1.126 1 1 508 . 15 1 1 A 49 49 GLY N N 49 106.565 109.029 -2.464 1 1 509 . 15 1 1 A 50 50 PRO HA H 50 4.268 4.397 -0.129 1 1 516 . 15 1 1 A 50 50 PRO C C 50 179.273 178.664 0.609 1 1 517 . 15 1 1 A 50 50 PRO CA C 50 65.791 65.269 0.522 1 1 518 . 15 1 1 A 50 50 PRO CB C 50 32.532 31.969 0.563 1 1 521 . 15 1 1 A 51 51 ALA H H 51 7.805 8.234 -0.429 1 1 522 . 15 1 1 A 51 51 ALA HA H 51 4.167 4.152 0.015 1 1 526 . 15 1 1 A 51 51 ALA C C 51 178.947 180.047 -1.100 1 1 527 . 15 1 1 A 51 51 ALA CA C 51 55.079 54.913 0.166 1 1 528 . 15 1 1 A 51 51 ALA CB C 51 18.988 18.375 0.613 1 1 529 . 15 1 1 A 51 51 ALA N N 51 119.037 119.191 -0.154 1 1 530 . 15 1 1 A 52 52 GLN H H 52 9.614 7.819 1.795 1 1 531 . 15 1 1 A 52 52 GLN HA H 52 3.969 4.043 -0.074 1 1 538 . 15 1 1 A 52 52 GLN C C 52 178.509 178.162 0.347 1 1 539 . 15 1 1 A 52 52 GLN CA C 52 59.529 59.074 0.455 1 1 540 . 15 1 1 A 52 52 GLN CB C 52 29.107 28.742 0.365 1 1 542 . 15 1 1 A 52 52 GLN N N 52 122.017 117.618 4.399 1 1 544 . 15 1 1 A 53 53 ARG H H 53 8.524 8.370 0.154 1 1 545 . 15 1 1 A 53 53 ARG HA H 53 3.996 4.066 -0.070 1 1 552 . 15 1 1 A 53 53 ARG C C 53 178.479 178.814 -0.335 1 1 553 . 15 1 1 A 53 53 ARG CA C 53 58.825 59.513 -0.688 1 1 554 . 15 1 1 A 53 53 ARG CB C 53 30.546 30.270 0.276 1 1 557 . 15 1 1 A 53 53 ARG N N 53 116.703 118.440 -1.737 1 1 558 . 15 1 1 A 54 54 CYS H H 54 7.589 7.649 -0.060 1 1 559 . 15 1 1 A 54 54 CYS HA H 54 4.641 4.325 0.316 1 1 562 . 15 1 1 A 54 54 CYS C C 54 175.840 175.674 0.166 1 1 563 . 15 1 1 A 54 54 CYS CA C 54 59.724 60.173 -0.449 1 1 564 . 15 1 1 A 54 54 CYS CB C 54 27.419 28.849 -1.430 1 1 565 . 15 1 1 A 54 54 CYS N N 54 113.424 117.421 -3.997 1 1 566 . 15 1 1 A 55 55 GLY H H 55 7.436 7.788 -0.352 1 1 567 . 15 1 1 A 55 55 GLY HA2 H 55 4.082 3.959 0.123 1 1 568 . 15 1 1 A 55 55 GLY HA3 H 55 4.082 3.969 0.113 1 1 569 . 15 1 1 A 55 55 GLY C C 55 174.435 175.810 -1.375 1 1 570 . 15 1 1 A 55 55 GLY CA C 55 46.977 45.432 1.545 1 1 571 . 15 1 1 A 55 55 GLY N N 55 109.572 109.516 0.056 1 1 572 . 15 1 1 A 56 56 ARG H H 56 7.860 8.114 -0.254 1 1 573 . 15 1 1 A 56 56 ARG HA H 56 4.472 3.991 0.481 1 1 580 . 15 1 1 A 56 56 ARG C C 56 174.959 176.688 -1.729 1 1 581 . 15 1 1 A 56 56 ARG CA C 56 55.687 58.754 -3.067 1 1 582 . 15 1 1 A 56 56 ARG CB C 56 32.785 30.247 2.538 1 1 585 . 15 1 1 A 56 56 ARG N N 56 118.137 119.964 -1.827 1 1 586 . 15 1 1 A 57 57 LEU H H 57 8.219 8.045 0.174 1 1 587 . 15 1 1 A 57 57 LEU HA H 57 4.926 4.837 0.089 1 1 597 . 15 1 1 A 57 57 LEU C C 57 175.333 175.715 -0.382 1 1 598 . 15 1 1 A 57 57 LEU CA C 57 53.043 53.616 -0.573 1 1 599 . 15 1 1 A 57 57 LEU CB C 57 46.459 43.332 3.127 1 1 603 . 15 1 1 A 57 57 LEU N N 57 117.496 120.258 -2.762 1 1 604 . 15 1 1 A 58 58 GLU H H 58 9.053 8.827 0.226 1 1 605 . 15 1 1 A 58 58 GLU HA H 58 4.460 4.934 -0.474 1 1 610 . 15 1 1 A 58 58 GLU C C 58 175.683 176.182 -0.499 1 1 611 . 15 1 1 A 58 58 GLU CA C 58 54.144 54.046 0.098 1 1 612 . 15 1 1 A 58 58 GLU CB C 58 33.286 33.749 -0.463 1 1 614 . 15 1 1 A 58 58 GLU N N 58 121.883 123.192 -1.309 1 1 615 . 15 1 1 A 59 59 VAL H H 59 8.727 8.603 0.124 1 1 616 . 15 1 1 A 59 59 VAL HA H 59 3.213 3.478 -0.265 1 1 624 . 15 1 1 A 59 59 VAL C C 59 177.728 177.091 0.637 1 1 625 . 15 1 1 A 59 59 VAL CA C 59 65.823 65.662 0.161 1 1 626 . 15 1 1 A 59 59 VAL CB C 59 31.151 31.419 -0.268 1 1 629 . 15 1 1 A 59 59 VAL N N 59 121.698 122.752 -1.054 1 1 630 . 15 1 1 A 60 60 GLY H H 60 9.172 8.748 0.424 1 1 631 . 15 1 1 A 60 60 GLY HA2 H 60 4.500 4.002 0.498 1 1 632 . 15 1 1 A 60 60 GLY HA3 H 60 3.469 4.005 -0.536 1 1 633 . 15 1 1 A 60 60 GLY C C 60 173.646 174.040 -0.394 1 1 634 . 15 1 1 A 60 60 GLY CA C 60 44.148 44.993 -0.845 1 1 635 . 15 1 1 A 60 60 GLY N N 60 117.734 115.475 2.259 1 1 636 . 15 1 1 A 61 61 ASP H H 61 7.877 7.913 -0.036 1 1 637 . 15 1 1 A 61 61 ASP HA H 61 4.551 4.607 -0.056 1 1 640 . 15 1 1 A 61 61 ASP C C 61 175.437 175.376 0.061 1 1 641 . 15 1 1 A 61 61 ASP CA C 61 56.057 55.386 0.671 1 1 642 . 15 1 1 A 61 61 ASP CB C 61 40.660 41.648 -0.988 1 1 643 . 15 1 1 A 61 61 ASP N N 61 121.399 121.879 -0.480 1 1 644 . 15 1 1 A 62 62 LEU H H 62 8.773 8.538 0.235 1 1 645 . 15 1 1 A 62 62 LEU HA H 62 4.713 4.921 -0.208 1 1 655 . 15 1 1 A 62 62 LEU C C 62 176.560 175.890 0.670 1 1 656 . 15 1 1 A 62 62 LEU CA C 62 54.259 53.387 0.872 1 1 657 . 15 1 1 A 62 62 LEU CB C 62 42.022 43.753 -1.731 1 1 661 . 15 1 1 A 62 62 LEU N N 62 120.566 123.494 -2.928 1 1 662 . 15 1 1 A 63 63 VAL H H 63 8.121 8.543 -0.422 1 1 663 . 15 1 1 A 63 63 VAL HA H 63 4.113 4.177 -0.064 1 1 671 . 15 1 1 A 63 63 VAL C C 63 175.468 175.456 0.012 1 1 672 . 15 1 1 A 63 63 VAL CA C 63 61.763 62.126 -0.363 1 1 673 . 15 1 1 A 63 63 VAL CB C 63 31.413 32.121 -0.708 1 1 676 . 15 1 1 A 63 63 VAL N N 63 121.172 123.808 -2.636 1 1 677 . 15 1 1 A 64 64 LEU H H 64 9.077 8.773 0.304 1 1 678 . 15 1 1 A 64 64 LEU HA H 64 4.113 4.157 -0.044 1 1 688 . 15 1 1 A 64 64 LEU C C 64 177.611 176.258 1.353 1 1 689 . 15 1 1 A 64 64 LEU CA C 64 56.614 55.603 1.011 1 1 690 . 15 1 1 A 64 64 LEU CB C 64 42.994 42.230 0.764 1 1 694 . 15 1 1 A 64 64 LEU N N 64 130.175 127.983 2.192 1 1 695 . 15 1 1 A 65 65 HIS H H 65 7.510 7.074 0.436 1 1 696 . 15 1 1 A 65 65 HIS HA H 65 5.297 5.254 0.043 1 1 701 . 15 1 1 A 65 65 HIS C C 65 174.833 173.718 1.115 1 1 702 . 15 1 1 A 65 65 HIS CA C 65 55.715 54.539 1.176 1 1 703 . 15 1 1 A 65 65 HIS CB C 65 35.813 34.689 1.124 1 1 706 . 15 1 1 A 65 65 HIS N N 65 115.096 114.271 0.825 1 1 707 . 15 1 1 A 66 66 ILE H H 66 8.675 8.576 0.099 1 1 708 . 15 1 1 A 66 66 ILE HA H 66 4.320 4.414 -0.094 1 1 718 . 15 1 1 A 66 66 ILE C C 66 175.571 175.837 -0.266 1 1 719 . 15 1 1 A 66 66 ILE CA C 66 60.510 60.308 0.202 1 1 720 . 15 1 1 A 66 66 ILE CB C 66 41.360 40.641 0.719 1 1 724 . 15 1 1 A 66 66 ILE N N 66 119.474 119.376 0.098 1 1 725 . 15 1 1 A 67 67 ASN H H 67 10.170 9.741 0.429 1 1 726 . 15 1 1 A 67 67 ASN HA H 67 4.595 4.559 0.036 1 1 731 . 15 1 1 A 67 67 ASN C C 67 175.349 175.555 -0.206 1 1 732 . 15 1 1 A 67 67 ASN CA C 67 54.589 54.550 0.039 1 1 733 . 15 1 1 A 67 67 ASN CB C 67 37.267 37.387 -0.120 1 1 734 . 15 1 1 A 67 67 ASN N N 67 129.216 127.592 1.624 1 1 736 . 15 1 1 A 68 68 GLY H H 68 9.396 8.709 0.687 1 1 737 . 15 1 1 A 68 68 GLY HA2 H 68 4.155 3.870 0.285 1 1 738 . 15 1 1 A 68 68 GLY HA3 H 68 3.585 3.872 -0.287 1 1 739 . 15 1 1 A 68 68 GLY C C 68 173.920 173.859 0.061 1 1 740 . 15 1 1 A 68 68 GLY CA C 68 45.267 45.878 -0.611 1 1 741 . 15 1 1 A 68 68 GLY N N 68 104.067 103.674 0.393 1 1 742 . 15 1 1 A 69 69 GLU H H 69 7.815 8.237 -0.422 1 1 743 . 15 1 1 A 69 69 GLU HA H 69 4.619 4.645 -0.026 1 1 748 . 15 1 1 A 69 69 GLU C C 69 175.696 175.744 -0.048 1 1 749 . 15 1 1 A 69 69 GLU CA C 69 54.803 54.987 -0.184 1 1 750 . 15 1 1 A 69 69 GLU CB C 69 32.281 32.299 -0.018 1 1 752 . 15 1 1 A 69 69 GLU N N 69 121.337 119.979 1.358 1 1 753 . 15 1 1 A 70 70 SER H H 70 8.867 9.179 -0.312 1 1 754 . 15 1 1 A 70 70 SER HA H 70 4.411 4.590 -0.179 1 1 757 . 15 1 1 A 70 70 SER C C 70 176.409 174.630 1.779 1 1 758 . 15 1 1 A 70 70 SER CA C 70 58.034 58.978 -0.944 1 1 759 . 15 1 1 A 70 70 SER CB C 70 63.432 62.959 0.473 1 1 760 . 15 1 1 A 70 70 SER N N 70 119.566 121.493 -1.927 1 1 761 . 15 1 1 A 71 71 THR H H 71 7.914 9.150 -1.236 1 1 762 . 15 1 1 A 71 71 THR HA H 71 4.162 4.407 -0.245 1 1 767 . 15 1 1 A 71 71 THR C C 71 175.433 175.262 0.171 1 1 768 . 15 1 1 A 71 71 THR CA C 71 60.921 63.139 -2.218 1 1 769 . 15 1 1 A 71 71 THR CB C 71 68.671 68.863 -0.192 1 1 771 . 15 1 1 A 71 71 THR N N 71 114.514 122.087 -7.573 1 1 772 . 15 1 1 A 72 72 GLN H H 72 8.131 8.036 0.095 1 1 773 . 15 1 1 A 72 72 GLN HA H 72 4.020 4.031 -0.011 1 1 780 . 15 1 1 A 72 72 GLN C C 72 176.950 177.080 -0.130 1 1 781 . 15 1 1 A 72 72 GLN CA C 72 58.361 59.618 -1.257 1 1 782 . 15 1 1 A 72 72 GLN CB C 72 28.079 28.398 -0.319 1 1 784 . 15 1 1 A 72 72 GLN N N 72 124.809 121.186 3.623 1 1 786 . 15 1 1 A 73 73 GLY H H 73 9.025 7.941 1.084 1 1 787 . 15 1 1 A 73 73 GLY HA2 H 73 4.092 4.065 0.027 1 1 788 . 15 1 1 A 73 73 GLY HA3 H 73 3.754 4.066 -0.312 1 1 789 . 15 1 1 A 73 73 GLY C C 73 173.971 173.446 0.525 1 1 790 . 15 1 1 A 73 73 GLY CA C 73 45.373 45.648 -0.275 1 1 791 . 15 1 1 A 73 73 GLY N N 73 114.015 105.977 8.038 1 1 792 . 15 1 1 A 74 74 LEU H H 74 7.672 7.101 0.571 1 1 793 . 15 1 1 A 74 74 LEU HA H 74 4.768 4.803 -0.035 1 1 803 . 15 1 1 A 74 74 LEU C C 74 179.964 176.686 3.278 1 1 804 . 15 1 1 A 74 74 LEU CA C 74 54.682 53.412 1.270 1 1 805 . 15 1 1 A 74 74 LEU CB C 74 42.355 44.409 -2.054 1 1 809 . 15 1 1 A 74 74 LEU N N 74 118.933 121.010 -2.077 1 1 810 . 15 1 1 A 75 75 THR H H 75 8.911 8.748 0.163 1 1 811 . 15 1 1 A 75 75 THR HA H 75 4.799 4.742 0.057 1 1 816 . 15 1 1 A 75 75 THR C C 75 174.971 175.553 -0.582 1 1 817 . 15 1 1 A 75 75 THR CA C 75 60.571 60.309 0.262 1 1 818 . 15 1 1 A 75 75 THR CB C 75 71.058 71.738 -0.680 1 1 820 . 15 1 1 A 75 75 THR N N 75 113.687 114.805 -1.118 1 1 821 . 15 1 1 A 76 76 HIS H H 76 9.474 9.264 0.210 1 1 822 . 15 1 1 A 76 76 HIS HA H 76 3.997 4.151 -0.154 1 1 826 . 15 1 1 A 76 76 HIS C C 76 176.917 176.855 0.062 1 1 827 . 15 1 1 A 76 76 HIS CA C 76 61.208 60.864 0.344 1 1 828 . 15 1 1 A 76 76 HIS CB C 76 29.729 30.468 -0.739 1 1 830 . 15 1 1 A 76 76 HIS N N 76 122.022 122.192 -0.170 1 1 831 . 15 1 1 A 77 77 ALA H H 77 8.457 8.178 0.279 1 1 832 . 15 1 1 A 77 77 ALA HA H 77 3.946 3.666 0.280 1 1 836 . 15 1 1 A 77 77 ALA C C 77 181.502 179.758 1.744 1 1 837 . 15 1 1 A 77 77 ALA CA C 77 55.282 55.276 0.006 1 1 838 . 15 1 1 A 77 77 ALA CB C 77 18.162 18.073 0.089 1 1 839 . 15 1 1 A 77 77 ALA N N 77 119.389 120.844 -1.455 1 1 840 . 15 1 1 A 78 78 GLN H H 78 7.991 8.107 -0.116 1 1 841 . 15 1 1 A 78 78 GLN HA H 78 4.029 4.065 -0.036 1 1 848 . 15 1 1 A 78 78 GLN C C 78 179.215 178.497 0.718 1 1 849 . 15 1 1 A 78 78 GLN CA C 78 58.562 58.876 -0.314 1 1 850 . 15 1 1 A 78 78 GLN CB C 78 29.592 28.609 0.983 1 1 852 . 15 1 1 A 78 78 GLN N N 78 117.510 117.527 -0.017 1 1 854 . 15 1 1 A 79 79 ALA H H 79 8.367 8.385 -0.018 1 1 855 . 15 1 1 A 79 79 ALA HA H 79 3.775 4.059 -0.284 1 1 859 . 15 1 1 A 79 79 ALA C C 79 178.754 179.909 -1.155 1 1 860 . 15 1 1 A 79 79 ALA CA C 79 55.828 55.089 0.739 1 1 861 . 15 1 1 A 79 79 ALA CB C 79 18.733 18.469 0.264 1 1 862 . 15 1 1 A 79 79 ALA N N 79 123.463 122.376 1.087 1 1 863 . 15 1 1 A 80 80 VAL H H 80 8.228 7.834 0.394 1 1 864 . 15 1 1 A 80 80 VAL HA H 80 3.510 3.476 0.034 1 1 872 . 15 1 1 A 80 80 VAL C C 80 179.087 177.851 1.236 1 1 873 . 15 1 1 A 80 80 VAL CA C 80 66.912 66.528 0.384 1 1 874 . 15 1 1 A 80 80 VAL CB C 80 31.781 31.410 0.371 1 1 877 . 15 1 1 A 80 80 VAL N N 80 116.720 117.989 -1.269 1 1 878 . 15 1 1 A 81 81 GLU H H 81 7.834 8.218 -0.384 1 1 879 . 15 1 1 A 81 81 GLU HA H 81 4.195 3.988 0.207 1 1 884 . 15 1 1 A 81 81 GLU C C 81 178.847 179.141 -0.294 1 1 885 . 15 1 1 A 81 81 GLU CA C 81 59.100 59.874 -0.774 1 1 886 . 15 1 1 A 81 81 GLU CB C 81 28.818 29.504 -0.686 1 1 888 . 15 1 1 A 81 81 GLU N N 81 121.198 119.755 1.443 1 1 889 . 15 1 1 A 82 82 ARG H H 82 8.004 7.876 0.128 1 1 890 . 15 1 1 A 82 82 ARG HA H 82 4.021 4.061 -0.040 1 1 897 . 15 1 1 A 82 82 ARG C C 82 179.863 178.603 1.260 1 1 898 . 15 1 1 A 82 82 ARG CA C 82 58.487 59.117 -0.630 1 1 899 . 15 1 1 A 82 82 ARG CB C 82 29.026 29.816 -0.790 1 1 902 . 15 1 1 A 82 82 ARG N N 82 119.267 118.993 0.274 1 1 903 . 15 1 1 A 83 83 ILE H H 83 7.875 8.309 -0.434 1 1 904 . 15 1 1 A 83 83 ILE HA H 83 3.467 3.629 -0.162 1 1 914 . 15 1 1 A 83 83 ILE C C 83 179.211 177.734 1.477 1 1 915 . 15 1 1 A 83 83 ILE CA C 83 65.491 64.513 0.978 1 1 916 . 15 1 1 A 83 83 ILE CB C 83 38.055 37.788 0.267 1 1 920 . 15 1 1 A 83 83 ILE N N 83 120.039 120.977 -0.938 1 1 921 . 15 1 1 A 84 84 ARG H H 84 8.207 8.207 0.000 1 1 922 . 15 1 1 A 84 84 ARG HA H 84 4.125 4.126 -0.001 1 1 929 . 15 1 1 A 84 84 ARG C C 84 179.062 179.236 -0.174 1 1 930 . 15 1 1 A 84 84 ARG CA C 84 59.643 59.971 -0.328 1 1 931 . 15 1 1 A 84 84 ARG CB C 84 30.197 30.237 -0.040 1 1 934 . 15 1 1 A 84 84 ARG N N 84 121.315 119.972 1.343 1 1 935 . 15 1 1 A 85 85 ALA H H 85 8.366 8.343 0.023 1 1 936 . 15 1 1 A 85 85 ALA HA H 85 4.241 4.070 0.171 1 1 940 . 15 1 1 A 85 85 ALA C C 85 179.042 179.762 -0.720 1 1 941 . 15 1 1 A 85 85 ALA CA C 85 53.695 55.001 -1.306 1 1 942 . 15 1 1 A 85 85 ALA CB C 85 18.806 18.556 0.250 1 1 943 . 15 1 1 A 85 85 ALA N N 85 120.166 122.049 -1.883 1 1 944 . 15 1 1 A 86 86 GLY H H 86 7.470 8.604 -1.134 1 1 945 . 15 1 1 A 86 86 GLY HA2 H 86 4.134 3.884 0.250 1 1 946 . 15 1 1 A 86 86 GLY HA3 H 86 4.134 3.894 0.240 1 1 947 . 15 1 1 A 86 86 GLY C C 86 174.699 174.779 -0.080 1 1 948 . 15 1 1 A 86 86 GLY CA C 86 45.902 47.135 -1.233 1 1 949 . 15 1 1 A 86 86 GLY N N 86 104.067 106.214 -2.147 1 1 950 . 15 1 1 A 87 87 GLY H H 87 7.688 7.370 0.318 1 1 951 . 15 1 1 A 87 87 GLY HA2 H 87 4.528 4.113 0.415 1 1 952 . 15 1 1 A 87 87 GLY HA3 H 87 3.835 4.114 -0.279 1 1 953 . 15 1 1 A 87 87 GLY C C 87 173.611 174.107 -0.496 1 1 954 . 15 1 1 A 87 87 GLY CA C 87 44.677 44.172 0.505 1 1 955 . 15 1 1 A 87 87 GLY N N 87 107.458 106.069 1.389 1 1 956 . 15 1 1 A 88 88 PRO HA H 88 4.306 4.513 -0.207 1 1 963 . 15 1 1 A 88 88 PRO C C 88 175.247 176.414 -1.167 1 1 964 . 15 1 1 A 88 88 PRO CA C 88 64.596 64.189 0.407 1 1 965 . 15 1 1 A 88 88 PRO CB C 88 32.405 32.114 0.291 1 1 968 . 15 1 1 A 89 89 GLN H H 89 7.606 8.080 -0.474 1 1 969 . 15 1 1 A 89 89 GLN HA H 89 5.343 4.911 0.432 1 1 976 . 15 1 1 A 89 89 GLN C C 89 173.750 174.494 -0.744 1 1 977 . 15 1 1 A 89 89 GLN CA C 89 54.626 55.049 -0.423 1 1 978 . 15 1 1 A 89 89 GLN CB C 89 31.870 30.832 1.038 1 1 980 . 15 1 1 A 89 89 GLN N N 89 116.964 118.771 -1.807 1 1 982 . 15 1 1 A 90 90 LEU H H 90 8.610 8.988 -0.378 1 1 983 . 15 1 1 A 90 90 LEU HA H 90 4.757 4.901 -0.144 1 1 993 . 15 1 1 A 90 90 LEU C C 90 173.607 174.835 -1.228 1 1 994 . 15 1 1 A 90 90 LEU CA C 90 53.730 53.429 0.301 1 1 995 . 15 1 1 A 90 90 LEU CB C 90 45.549 44.174 1.375 1 1 999 . 15 1 1 A 90 90 LEU N N 90 124.460 126.265 -1.805 1 1 1000 . 15 1 1 A 91 91 HIS H H 91 8.826 8.789 0.037 1 1 1001 . 15 1 1 A 91 91 HIS HA H 91 5.207 5.705 -0.498 1 1 1006 . 15 1 1 A 91 91 HIS C C 91 174.745 173.187 1.558 1 1 1007 . 15 1 1 A 91 91 HIS CA C 91 55.093 53.851 1.242 1 1 1008 . 15 1 1 A 91 91 HIS CB C 91 32.686 33.077 -0.391 1 1 1011 . 15 1 1 A 91 91 HIS N N 91 126.871 126.409 0.462 1 1 1012 . 15 1 1 A 92 92 LEU H H 92 9.024 8.386 0.638 1 1 1013 . 15 1 1 A 92 92 LEU HA H 92 5.203 4.827 0.376 1 1 1023 . 15 1 1 A 92 92 LEU C C 92 175.889 175.442 0.447 1 1 1024 . 15 1 1 A 92 92 LEU CA C 92 52.955 53.546 -0.591 1 1 1025 . 15 1 1 A 92 92 LEU CB C 92 46.233 45.577 0.656 1 1 1029 . 15 1 1 A 92 92 LEU N N 92 125.837 128.415 -2.578 1 1 1030 . 15 1 1 A 93 93 VAL H H 93 7.739 8.683 -0.944 1 1 1031 . 15 1 1 A 93 93 VAL HA H 93 4.568 4.538 0.030 1 1 1039 . 15 1 1 A 93 93 VAL C C 93 174.538 174.944 -0.406 1 1 1040 . 15 1 1 A 93 93 VAL CA C 93 62.666 62.101 0.565 1 1 1041 . 15 1 1 A 93 93 VAL CB C 93 32.838 31.323 1.515 1 1 1044 . 15 1 1 A 93 93 VAL N N 93 120.566 125.588 -5.022 1 1 1045 . 15 1 1 A 94 94 ILE H H 94 8.965 8.944 0.021 1 1 1046 . 15 1 1 A 94 94 ILE HA H 94 5.152 4.773 0.379 1 1 1056 . 15 1 1 A 94 94 ILE C C 94 174.723 174.203 0.520 1 1 1057 . 15 1 1 A 94 94 ILE CA C 94 56.360 58.979 -2.619 1 1 1058 . 15 1 1 A 94 94 ILE CB C 94 39.214 40.313 -1.099 1 1 1062 . 15 1 1 A 94 94 ILE N N 94 128.952 127.739 1.213 1 1 1063 . 15 1 1 A 95 95 ARG H H 95 8.286 8.288 -0.002 1 1 1064 . 15 1 1 A 95 95 ARG HA H 95 4.715 4.603 0.112 1 1 1071 . 15 1 1 A 95 95 ARG C C 95 173.665 174.908 -1.243 1 1 1072 . 15 1 1 A 95 95 ARG CA C 95 54.982 54.557 0.425 1 1 1073 . 15 1 1 A 95 95 ARG CB C 95 34.833 33.431 1.402 1 1 1076 . 15 1 1 A 95 95 ARG N N 95 120.920 126.155 -5.235 1 1 1077 . 15 1 1 A 96 96 ARG H H 96 9.238 8.820 0.418 1 1 1078 . 15 1 1 A 96 96 ARG HA H 96 4.984 4.310 0.674 1 1 1086 . 15 1 1 A 96 96 ARG C C 96 174.582 174.882 -0.300 1 1 1087 . 15 1 1 A 96 96 ARG CA C 96 53.219 54.367 -1.148 1 1 1088 . 15 1 1 A 96 96 ARG CB C 96 31.369 30.851 0.518 1 1 1091 . 15 1 1 A 96 96 ARG N N 96 129.955 128.588 1.367 1 1 1093 . 15 1 1 A 97 97 PRO HA H 97 4.424 4.627 -0.203 1 1 1100 . 15 1 1 A 97 97 PRO C C 97 176.289 177.145 -0.856 1 1 1101 . 15 1 1 A 97 97 PRO CA C 97 63.322 62.688 0.634 1 1 1102 . 15 1 1 A 97 97 PRO CB C 97 32.240 32.379 -0.139 1 1 1105 . 15 1 1 A 98 98 LEU H H 98 8.325 8.554 -0.229 1 1 1106 . 15 1 1 A 98 98 LEU HA H 98 4.399 4.526 -0.127 1 1 1116 . 15 1 1 A 98 98 LEU C C 98 177.395 175.450 1.945 1 1 1117 . 15 1 1 A 98 98 LEU CA C 98 55.165 54.353 0.812 1 1 1118 . 15 1 1 A 98 98 LEU CB C 98 42.419 41.184 1.235 1 1 1122 . 15 1 1 A 98 98 LEU N N 98 122.396 121.030 1.366 1 1 1123 . 15 1 1 A 99 99 SER H H 99 8.333 7.655 0.678 1 1 1124 . 15 1 1 A 99 99 SER HA H 99 4.483 4.943 -0.460 1 1 1127 . 15 1 1 A 99 99 SER C C 99 174.489 173.892 0.597 1 1 1128 . 15 1 1 A 99 99 SER CA C 99 58.138 56.103 2.035 1 1 1129 . 15 1 1 A 99 99 SER CB C 99 63.846 65.519 -1.673 1 1 1130 . 15 1 1 A 99 99 SER N N 99 116.892 115.753 1.139 1 1 1131 . 15 1 1 A 100 100 GLY H H 100 8.253 8.786 -0.533 1 1 1132 . 15 1 1 A 100 100 GLY HA2 H 100 4.177 4.371 -0.194 1 1 1133 . 15 1 1 A 100 100 GLY HA3 H 100 4.101 4.371 -0.270 1 1 1134 . 15 1 1 A 100 100 GLY C C 100 171.838 172.215 -0.377 1 1 1135 . 15 1 1 A 100 100 GLY CA C 100 44.679 46.602 -1.923 1 1 1136 . 15 1 1 A 100 100 GLY N N 100 110.703 113.472 -2.769 1 1 1137 . 15 1 1 A 101 101 PRO HA H 101 4.480 4.535 -0.055 1 1 1144 . 15 1 1 A 101 101 PRO C C 101 177.411 176.108 1.303 1 1 1145 . 15 1 1 A 101 101 PRO CA C 101 63.312 62.896 0.416 1 1 1146 . 15 1 1 A 101 101 PRO CB C 101 32.158 31.762 0.396 1 1 1149 . 15 1 1 A 102 102 SER H H 102 8.517 8.517 0.000 1 1 1150 . 15 1 1 A 102 102 SER C C 102 174.655 173.334 1.321 1 1 1151 . 15 1 1 A 102 102 SER CA C 102 58.438 58.151 0.287 1 1 1152 . 15 1 1 A 102 102 SER CB C 102 63.970 65.257 -1.287 1 1 1 . 16 1 1 A 2 2 SER HA H 2 4.493 5.088 -0.595 1 1 4 . 16 1 1 A 2 2 SER C C 2 174.671 174.956 -0.285 1 1 5 . 16 1 1 A 2 2 SER CA C 2 58.438 56.195 2.243 1 1 6 . 16 1 1 A 2 2 SER CB C 2 63.558 66.668 -3.110 1 1 7 . 16 1 1 A 3 3 SER H H 3 8.324 8.955 -0.631 1 1 8 . 16 1 1 A 3 3 SER HA H 3 4.493 4.042 0.451 1 1 11 . 16 1 1 A 3 3 SER C C 3 173.918 175.774 -1.856 1 1 12 . 16 1 1 A 3 3 SER CA C 3 58.455 61.831 -3.376 1 1 13 . 16 1 1 A 3 3 SER CB C 3 63.929 62.614 1.315 1 1 14 . 16 1 1 A 3 3 SER N N 3 117.862 117.349 0.513 1 1 15 . 16 1 1 A 4 4 GLY H H 4 8.045 7.734 0.311 1 1 16 . 16 1 1 A 4 4 GLY C C 4 179.001 173.244 5.757 1 1 17 . 16 1 1 A 4 4 GLY CA C 4 46.201 44.438 1.763 1 1 18 . 16 1 1 A 4 4 GLY N N 4 116.862 110.302 6.560 1 1 19 . 16 1 1 A 6 6 SER HA H 6 4.461 4.965 -0.504 1 1 22 . 16 1 1 A 6 6 SER C C 6 175.170 174.108 1.062 1 1 23 . 16 1 1 A 6 6 SER CA C 6 58.755 57.511 1.244 1 1 24 . 16 1 1 A 6 6 SER CB C 6 63.862 64.135 -0.273 1 1 25 . 16 1 1 A 7 7 GLY H H 7 8.432 9.214 -0.782 1 1 26 . 16 1 1 A 7 7 GLY HA2 H 7 3.966 4.213 -0.247 1 1 27 . 16 1 1 A 7 7 GLY C C 7 174.309 172.250 2.059 1 1 28 . 16 1 1 A 7 7 GLY CA C 7 45.408 44.502 0.906 1 1 29 . 16 1 1 A 7 7 GLY N N 7 110.678 114.235 -3.557 1 1 30 . 16 1 1 A 8 8 GLN H H 8 8.210 8.731 -0.521 1 1 31 . 16 1 1 A 8 8 GLN HA H 8 4.324 4.820 -0.496 1 1 38 . 16 1 1 A 8 8 GLN C C 8 176.037 174.836 1.201 1 1 39 . 16 1 1 A 8 8 GLN CA C 8 55.970 54.591 1.379 1 1 40 . 16 1 1 A 8 8 GLN CB C 8 29.562 29.279 0.283 1 1 42 . 16 1 1 A 8 8 GLN N N 8 119.977 120.288 -0.311 1 1 44 . 16 1 1 A 9 9 ALA H H 9 8.394 8.586 -0.192 1 1 45 . 16 1 1 A 9 9 ALA HA H 9 4.319 4.728 -0.409 1 1 49 . 16 1 1 A 9 9 ALA C C 9 177.635 177.510 0.125 1 1 50 . 16 1 1 A 9 9 ALA CA C 9 52.531 51.936 0.595 1 1 51 . 16 1 1 A 9 9 ALA CB C 9 19.136 20.551 -1.415 1 1 52 . 16 1 1 A 9 9 ALA N N 9 125.301 127.890 -2.589 1 1 53 . 16 1 1 A 10 10 SER H H 10 8.259 8.894 -0.635 1 1 54 . 16 1 1 A 10 10 SER HA H 10 4.440 4.305 0.135 1 1 57 . 16 1 1 A 10 10 SER C C 10 175.138 176.707 -1.569 1 1 58 . 16 1 1 A 10 10 SER CA C 10 58.649 61.077 -2.428 1 1 59 . 16 1 1 A 10 10 SER CB C 10 63.888 63.462 0.426 1 1 60 . 16 1 1 A 10 10 SER N N 10 114.874 116.862 -1.988 1 1 61 . 16 1 1 A 11 11 GLY H H 11 8.493 7.927 0.566 1 1 62 . 16 1 1 A 11 11 GLY HA2 H 11 4.039 3.504 0.535 1 1 63 . 16 1 1 A 11 11 GLY HA3 H 11 4.039 3.724 0.315 1 1 64 . 16 1 1 A 11 11 GLY C C 11 173.678 174.353 -0.675 1 1 65 . 16 1 1 A 11 11 GLY CA C 11 45.531 47.173 -1.642 1 1 66 . 16 1 1 A 11 11 GLY N N 11 110.301 108.548 1.753 1 1 67 . 16 1 1 A 12 12 HIS H H 12 7.970 7.741 0.229 1 1 68 . 16 1 1 A 12 12 HIS HA H 12 5.442 5.230 0.212 1 1 73 . 16 1 1 A 12 12 HIS C C 12 175.304 174.889 0.415 1 1 74 . 16 1 1 A 12 12 HIS CA C 12 55.095 55.093 0.002 1 1 75 . 16 1 1 A 12 12 HIS CB C 12 31.849 32.406 -0.557 1 1 78 . 16 1 1 A 12 12 HIS N N 12 119.432 116.710 2.722 1 1 79 . 16 1 1 A 13 13 PHE H H 13 8.940 8.959 -0.019 1 1 80 . 16 1 1 A 13 13 PHE HA H 13 5.072 5.510 -0.438 1 1 88 . 16 1 1 A 13 13 PHE C C 13 172.688 172.817 -0.129 1 1 89 . 16 1 1 A 13 13 PHE CA C 13 56.269 55.529 0.740 1 1 90 . 16 1 1 A 13 13 PHE CB C 13 40.835 42.575 -1.740 1 1 96 . 16 1 1 A 13 13 PHE N N 13 118.413 118.522 -0.109 1 1 97 . 16 1 1 A 14 14 SER H H 14 8.709 9.196 -0.487 1 1 98 . 16 1 1 A 14 14 SER HA H 14 5.580 5.356 0.224 1 1 101 . 16 1 1 A 14 14 SER C C 14 174.119 174.148 -0.029 1 1 102 . 16 1 1 A 14 14 SER CA C 14 56.974 55.354 1.620 1 1 103 . 16 1 1 A 14 14 SER CB C 14 65.778 66.097 -0.319 1 1 104 . 16 1 1 A 14 14 SER N N 14 115.082 113.717 1.365 1 1 105 . 16 1 1 A 15 15 VAL H H 15 8.801 8.261 0.540 1 1 106 . 16 1 1 A 15 15 VAL HA H 15 4.373 4.716 -0.343 1 1 114 . 16 1 1 A 15 15 VAL C C 15 173.002 174.943 -1.941 1 1 115 . 16 1 1 A 15 15 VAL CA C 15 61.312 61.228 0.084 1 1 116 . 16 1 1 A 15 15 VAL CB C 15 36.461 34.353 2.108 1 1 119 . 16 1 1 A 15 15 VAL N N 15 121.148 121.016 0.132 1 1 120 . 16 1 1 A 16 16 GLU H H 16 8.383 8.824 -0.441 1 1 121 . 16 1 1 A 16 16 GLU HA H 16 5.299 5.369 -0.070 1 1 126 . 16 1 1 A 16 16 GLU C C 16 175.408 175.400 0.008 1 1 127 . 16 1 1 A 16 16 GLU CA C 16 54.594 55.143 -0.549 1 1 128 . 16 1 1 A 16 16 GLU CB C 16 31.993 32.296 -0.303 1 1 130 . 16 1 1 A 16 16 GLU N N 16 125.925 126.418 -0.493 1 1 131 . 16 1 1 A 17 17 LEU H H 17 9.172 8.754 0.418 1 1 132 . 16 1 1 A 17 17 LEU HA H 17 5.000 4.905 0.095 1 1 142 . 16 1 1 A 17 17 LEU C C 17 175.596 175.937 -0.341 1 1 143 . 16 1 1 A 17 17 LEU CA C 17 52.919 53.714 -0.795 1 1 144 . 16 1 1 A 17 17 LEU CB C 17 47.317 46.699 0.618 1 1 148 . 16 1 1 A 17 17 LEU N N 17 122.761 123.411 -0.650 1 1 149 . 16 1 1 A 18 18 VAL H H 18 8.546 8.794 -0.248 1 1 150 . 16 1 1 A 18 18 VAL HA H 18 4.831 4.837 -0.006 1 1 158 . 16 1 1 A 18 18 VAL C C 18 175.783 176.054 -0.271 1 1 159 . 16 1 1 A 18 18 VAL CA C 18 61.277 61.159 0.118 1 1 160 . 16 1 1 A 18 18 VAL CB C 18 33.600 33.965 -0.365 1 1 163 . 16 1 1 A 18 18 VAL N N 18 122.523 122.670 -0.147 1 1 164 . 16 1 1 A 19 19 ARG H H 19 8.495 8.282 0.213 1 1 165 . 16 1 1 A 19 19 ARG HA H 19 2.868 3.392 -0.524 1 1 172 . 16 1 1 A 19 19 ARG C C 19 176.248 176.105 0.143 1 1 173 . 16 1 1 A 19 19 ARG CA C 19 58.138 57.711 0.427 1 1 174 . 16 1 1 A 19 19 ARG CB C 19 30.839 30.499 0.340 1 1 177 . 16 1 1 A 19 19 ARG N N 19 127.015 127.258 -0.243 1 1 178 . 16 1 1 A 20 20 GLY H H 20 7.244 8.082 -0.838 1 1 179 . 16 1 1 A 20 20 GLY HA2 H 20 4.504 4.020 0.484 1 1 180 . 16 1 1 A 20 20 GLY HA3 H 20 3.750 4.058 -0.308 1 1 181 . 16 1 1 A 20 20 GLY C C 20 175.286 173.125 2.161 1 1 182 . 16 1 1 A 20 20 GLY CA C 20 44.131 45.838 -1.707 1 1 183 . 16 1 1 A 20 20 GLY N N 20 112.266 111.026 1.240 1 1 184 . 16 1 1 A 21 21 TYR HA H 21 4.219 4.595 -0.376 1 1 191 . 16 1 1 A 21 21 TYR C C 21 176.309 175.076 1.233 1 1 192 . 16 1 1 A 21 21 TYR CA C 21 60.518 56.727 3.791 1 1 193 . 16 1 1 A 21 21 TYR CB C 21 37.826 37.669 0.157 1 1 198 . 16 1 1 A 22 22 ALA H H 22 8.272 8.248 0.024 1 1 199 . 16 1 1 A 22 22 ALA HA H 22 4.404 3.913 0.491 1 1 203 . 16 1 1 A 22 22 ALA C C 22 177.312 176.378 0.934 1 1 204 . 16 1 1 A 22 22 ALA CA C 22 50.816 53.178 -2.362 1 1 205 . 16 1 1 A 22 22 ALA CB C 22 18.455 18.236 0.219 1 1 206 . 16 1 1 A 22 22 ALA N N 22 121.539 129.045 -7.506 1 1 207 . 16 1 1 A 23 23 GLY H H 23 7.495 7.945 -0.450 1 1 208 . 16 1 1 A 23 23 GLY HA2 H 23 4.541 3.891 0.650 1 1 209 . 16 1 1 A 23 23 GLY HA3 H 23 3.238 4.039 -0.801 1 1 210 . 16 1 1 A 23 23 GLY C C 23 175.043 174.288 0.755 1 1 211 . 16 1 1 A 23 23 GLY CA C 23 44.897 44.387 0.510 1 1 212 . 16 1 1 A 23 23 GLY N N 23 106.744 104.331 2.413 1 1 213 . 16 1 1 A 24 24 PHE H H 24 7.242 8.663 -1.421 1 1 214 . 16 1 1 A 24 24 PHE HA H 24 4.369 4.630 -0.261 1 1 222 . 16 1 1 A 24 24 PHE C C 24 175.902 176.020 -0.118 1 1 223 . 16 1 1 A 24 24 PHE CA C 24 60.347 58.062 2.285 1 1 224 . 16 1 1 A 24 24 PHE CB C 24 39.575 39.736 -0.161 1 1 230 . 16 1 1 A 25 25 GLY H H 25 8.820 8.042 0.778 1 1 231 . 16 1 1 A 25 25 GLY HA2 H 25 4.134 4.015 0.119 1 1 232 . 16 1 1 A 25 25 GLY HA3 H 25 3.913 4.017 -0.104 1 1 233 . 16 1 1 A 25 25 GLY C C 25 174.585 174.422 0.163 1 1 234 . 16 1 1 A 25 25 GLY CA C 25 47.030 46.640 0.390 1 1 235 . 16 1 1 A 25 25 GLY N N 25 107.899 109.673 -1.774 1 1 236 . 16 1 1 A 26 26 LEU H H 26 7.991 7.836 0.155 1 1 237 . 16 1 1 A 26 26 LEU HA H 26 4.990 4.814 0.176 1 1 247 . 16 1 1 A 26 26 LEU C C 26 174.135 175.251 -1.116 1 1 248 . 16 1 1 A 26 26 LEU CA C 26 53.906 53.597 0.309 1 1 249 . 16 1 1 A 26 26 LEU CB C 26 45.939 44.346 1.593 1 1 253 . 16 1 1 A 26 26 LEU N N 26 122.133 122.735 -0.602 1 1 254 . 16 1 1 A 27 27 THR H H 27 8.657 8.626 0.031 1 1 255 . 16 1 1 A 27 27 THR HA H 27 4.662 5.052 -0.390 1 1 260 . 16 1 1 A 27 27 THR C C 27 174.074 173.462 0.612 1 1 261 . 16 1 1 A 27 27 THR CA C 27 61.382 61.296 0.086 1 1 262 . 16 1 1 A 27 27 THR CB C 27 70.010 71.214 -1.204 1 1 264 . 16 1 1 A 27 27 THR N N 27 121.262 123.326 -2.064 1 1 265 . 16 1 1 A 28 28 LEU H H 28 9.692 8.831 0.861 1 1 266 . 16 1 1 A 28 28 LEU HA H 28 5.297 5.094 0.203 1 1 276 . 16 1 1 A 28 28 LEU C C 28 175.414 175.889 -0.475 1 1 277 . 16 1 1 A 28 28 LEU CA C 28 53.219 53.076 0.143 1 1 278 . 16 1 1 A 28 28 LEU CB C 28 45.049 44.194 0.855 1 1 282 . 16 1 1 A 28 28 LEU N N 28 128.374 124.930 3.444 1 1 283 . 16 1 1 A 29 29 GLY H H 29 8.818 8.522 0.296 1 1 284 . 16 1 1 A 29 29 GLY HA2 H 29 4.089 4.114 -0.025 1 1 285 . 16 1 1 A 29 29 GLY HA3 H 29 3.664 4.152 -0.488 1 1 286 . 16 1 1 A 29 29 GLY C C 29 171.700 174.696 -2.996 1 1 287 . 16 1 1 A 29 29 GLY CA C 29 44.086 44.885 -0.799 1 1 288 . 16 1 1 A 29 29 GLY N N 29 106.574 112.414 -5.840 1 1 289 . 16 1 1 A 30 30 GLY H H 30 8.339 8.036 0.303 1 1 290 . 16 1 1 A 30 30 GLY HA2 H 30 4.434 3.934 0.500 1 1 291 . 16 1 1 A 30 30 GLY HA3 H 30 3.554 3.960 -0.406 1 1 292 . 16 1 1 A 30 30 GLY C C 30 174.290 173.703 0.587 1 1 293 . 16 1 1 A 30 30 GLY CA C 30 44.879 44.612 0.267 1 1 294 . 16 1 1 A 30 30 GLY N N 30 107.245 112.896 -5.651 1 1 295 . 16 1 1 A 31 31 GLY H H 31 7.292 8.527 -1.235 1 1 296 . 16 1 1 A 31 31 GLY HA2 H 31 4.439 4.084 0.355 1 1 297 . 16 1 1 A 31 31 GLY HA3 H 31 4.000 4.091 -0.091 1 1 298 . 16 1 1 A 31 31 GLY C C 31 174.513 173.342 1.171 1 1 299 . 16 1 1 A 31 31 GLY CA C 31 43.589 44.588 -0.999 1 1 300 . 16 1 1 A 31 31 GLY N N 31 107.984 108.552 -0.568 1 1 301 . 16 1 1 A 32 32 ARG H H 32 8.065 8.397 -0.332 1 1 302 . 16 1 1 A 32 32 ARG HA H 32 4.380 4.473 -0.093 1 1 309 . 16 1 1 A 32 32 ARG C C 32 176.139 175.070 1.069 1 1 310 . 16 1 1 A 32 32 ARG CA C 32 57.354 56.301 1.053 1 1 311 . 16 1 1 A 32 32 ARG CB C 32 30.080 30.853 -0.773 1 1 314 . 16 1 1 A 32 32 ARG N N 32 121.733 121.078 0.655 1 1 315 . 16 1 1 A 33 33 ASP H H 33 8.916 8.882 0.034 1 1 316 . 16 1 1 A 33 33 ASP HA H 33 4.799 5.021 -0.222 1 1 319 . 16 1 1 A 33 33 ASP C C 33 176.381 176.519 -0.138 1 1 320 . 16 1 1 A 33 33 ASP CA C 33 53.783 52.765 1.018 1 1 321 . 16 1 1 A 33 33 ASP CB C 33 43.712 43.773 -0.061 1 1 322 . 16 1 1 A 33 33 ASP N N 33 126.313 127.165 -0.852 1 1 323 . 16 1 1 A 34 34 VAL H H 34 8.372 8.666 -0.294 1 1 324 . 16 1 1 A 34 34 VAL HA H 34 3.943 3.931 0.012 1 1 329 . 16 1 1 A 34 34 VAL C C 34 176.591 176.467 0.124 1 1 330 . 16 1 1 A 34 34 VAL CA C 34 64.644 64.852 -0.208 1 1 331 . 16 1 1 A 34 34 VAL CB C 34 31.796 31.811 -0.015 1 1 333 . 16 1 1 A 34 34 VAL N N 34 121.465 124.181 -2.716 1 1 334 . 16 1 1 A 35 35 ALA H H 35 8.577 7.940 0.637 1 1 335 . 16 1 1 A 35 35 ALA HA H 35 4.386 4.463 -0.077 1 1 339 . 16 1 1 A 35 35 ALA C C 35 177.532 176.683 0.849 1 1 340 . 16 1 1 A 35 35 ALA CA C 35 52.589 51.428 1.161 1 1 341 . 16 1 1 A 35 35 ALA CB C 35 19.095 20.124 -1.029 1 1 342 . 16 1 1 A 35 35 ALA N N 35 123.222 120.732 2.490 1 1 343 . 16 1 1 A 36 36 GLY H H 36 7.816 7.112 0.704 1 1 344 . 16 1 1 A 36 36 GLY HA2 H 36 4.274 4.051 0.223 1 1 345 . 16 1 1 A 36 36 GLY HA3 H 36 3.723 4.053 -0.330 1 1 346 . 16 1 1 A 36 36 GLY C C 36 172.610 172.284 0.326 1 1 347 . 16 1 1 A 36 36 GLY CA C 36 45.161 45.759 -0.598 1 1 348 . 16 1 1 A 36 36 GLY N N 36 107.925 106.360 1.565 1 1 349 . 16 1 1 A 37 37 ASP H H 37 8.604 8.933 -0.329 1 1 350 . 16 1 1 A 37 37 ASP HA H 37 4.810 5.172 -0.362 1 1 353 . 16 1 1 A 37 37 ASP C C 37 176.081 175.360 0.721 1 1 354 . 16 1 1 A 37 37 ASP CA C 37 54.700 52.987 1.713 1 1 355 . 16 1 1 A 37 37 ASP CB C 37 41.076 41.954 -0.878 1 1 356 . 16 1 1 A 37 37 ASP N N 37 124.969 125.606 -0.637 1 1 357 . 16 1 1 A 38 38 THR H H 38 7.679 8.591 -0.912 1 1 358 . 16 1 1 A 38 38 THR HA H 38 4.704 4.908 -0.204 1 1 363 . 16 1 1 A 38 38 THR C C 38 172.712 171.273 1.439 1 1 364 . 16 1 1 A 38 38 THR CA C 38 59.810 58.485 1.325 1 1 365 . 16 1 1 A 38 38 THR CB C 38 70.420 70.544 -0.124 1 1 367 . 16 1 1 A 38 38 THR N N 38 116.498 114.779 1.719 1 1 368 . 16 1 1 A 39 39 PRO HA H 39 4.305 4.675 -0.370 1 1 375 . 16 1 1 A 39 39 PRO C C 39 176.355 176.825 -0.470 1 1 376 . 16 1 1 A 39 39 PRO CA C 39 63.304 62.730 0.574 1 1 377 . 16 1 1 A 39 39 PRO CB C 39 32.703 31.643 1.060 1 1 380 . 16 1 1 A 40 40 LEU H H 40 8.247 8.165 0.082 1 1 381 . 16 1 1 A 40 40 LEU HA H 40 4.704 4.197 0.507 1 1 391 . 16 1 1 A 40 40 LEU C C 40 176.631 177.147 -0.516 1 1 392 . 16 1 1 A 40 40 LEU CA C 40 55.352 55.341 0.011 1 1 393 . 16 1 1 A 40 40 LEU CB C 40 42.524 42.160 0.364 1 1 397 . 16 1 1 A 40 40 LEU N N 40 125.558 124.054 1.504 1 1 398 . 16 1 1 A 41 41 ALA H H 41 8.856 8.612 0.244 1 1 399 . 16 1 1 A 41 41 ALA HA H 41 5.465 5.318 0.147 1 1 403 . 16 1 1 A 41 41 ALA C C 41 176.658 176.619 0.039 1 1 404 . 16 1 1 A 41 41 ALA CA C 41 50.503 51.357 -0.854 1 1 405 . 16 1 1 A 41 41 ALA CB C 41 24.074 22.822 1.252 1 1 406 . 16 1 1 A 41 41 ALA N N 41 128.426 126.284 2.142 1 1 407 . 16 1 1 A 42 42 VAL H H 42 9.160 8.774 0.386 1 1 408 . 16 1 1 A 42 42 VAL HA H 42 3.803 4.072 -0.269 1 1 416 . 16 1 1 A 42 42 VAL C C 42 176.499 175.701 0.798 1 1 417 . 16 1 1 A 42 42 VAL CA C 42 64.196 63.696 0.500 1 1 418 . 16 1 1 A 42 42 VAL CB C 42 31.773 32.089 -0.316 1 1 421 . 16 1 1 A 42 42 VAL N N 42 119.342 123.249 -3.907 1 1 422 . 16 1 1 A 43 43 ARG H H 43 9.385 9.341 0.044 1 1 423 . 16 1 1 A 43 43 ARG HA H 43 4.527 4.427 0.100 1 1 430 . 16 1 1 A 43 43 ARG C C 43 175.332 175.891 -0.559 1 1 431 . 16 1 1 A 43 43 ARG CA C 43 55.340 57.059 -1.719 1 1 432 . 16 1 1 A 43 43 ARG CB C 43 32.242 31.887 0.355 1 1 435 . 16 1 1 A 43 43 ARG N N 43 131.043 128.439 2.604 1 1 436 . 16 1 1 A 44 44 GLY H H 44 7.872 7.824 0.048 1 1 437 . 16 1 1 A 44 44 GLY HA2 H 44 4.155 4.177 -0.022 1 1 438 . 16 1 1 A 44 44 GLY HA3 H 44 3.765 4.178 -0.413 1 1 439 . 16 1 1 A 44 44 GLY C C 44 170.284 171.761 -1.477 1 1 440 . 16 1 1 A 44 44 GLY CA C 44 45.602 44.005 1.597 1 1 441 . 16 1 1 A 44 44 GLY N N 44 107.517 107.613 -0.096 1 1 442 . 16 1 1 A 45 45 LEU H H 45 8.455 9.450 -0.995 1 1 443 . 16 1 1 A 45 45 LEU HA H 45 4.915 4.914 0.001 1 1 453 . 16 1 1 A 45 45 LEU C C 45 175.215 176.823 -1.608 1 1 454 . 16 1 1 A 45 45 LEU CA C 45 52.795 53.986 -1.191 1 1 455 . 16 1 1 A 45 45 LEU CB C 45 44.824 43.506 1.318 1 1 459 . 16 1 1 A 45 45 LEU N N 45 121.812 122.845 -1.033 1 1 460 . 16 1 1 A 46 46 LEU H H 46 7.582 9.137 -1.555 1 1 461 . 16 1 1 A 46 46 LEU HA H 46 4.208 4.262 -0.054 1 1 471 . 16 1 1 A 46 46 LEU C C 46 177.935 176.535 1.400 1 1 472 . 16 1 1 A 46 46 LEU CA C 46 54.984 55.981 -0.997 1 1 473 . 16 1 1 A 46 46 LEU CB C 46 42.815 43.092 -0.277 1 1 477 . 16 1 1 A 46 46 LEU N N 46 124.670 128.679 -4.009 1 1 478 . 16 1 1 A 47 47 LYS H H 47 8.959 8.479 0.480 1 1 479 . 16 1 1 A 47 47 LYS HA H 47 3.875 4.003 -0.128 1 1 488 . 16 1 1 A 47 47 LYS C C 47 176.699 176.931 -0.232 1 1 489 . 16 1 1 A 47 47 LYS CA C 47 58.861 56.906 1.955 1 1 490 . 16 1 1 A 47 47 LYS CB C 47 32.076 32.636 -0.560 1 1 494 . 16 1 1 A 47 47 LYS N N 47 129.726 126.395 3.331 1 1 495 . 16 1 1 A 48 48 ASP H H 48 8.845 8.919 -0.074 1 1 496 . 16 1 1 A 48 48 ASP HA H 48 4.395 4.377 0.018 1 1 499 . 16 1 1 A 48 48 ASP C C 48 175.442 175.582 -0.140 1 1 500 . 16 1 1 A 48 48 ASP CA C 48 56.632 54.964 1.668 1 1 501 . 16 1 1 A 48 48 ASP CB C 48 39.740 38.592 1.148 1 1 502 . 16 1 1 A 48 48 ASP N N 48 119.883 125.556 -5.673 1 1 503 . 16 1 1 A 49 49 GLY H H 49 7.947 7.982 -0.035 1 1 504 . 16 1 1 A 49 49 GLY HA2 H 49 4.578 4.094 0.484 1 1 505 . 16 1 1 A 49 49 GLY HA3 H 49 3.748 4.096 -0.348 1 1 506 . 16 1 1 A 49 49 GLY C C 49 172.008 174.663 -2.655 1 1 507 . 16 1 1 A 49 49 GLY CA C 49 45.000 44.048 0.952 1 1 508 . 16 1 1 A 49 49 GLY N N 49 106.565 109.071 -2.506 1 1 509 . 16 1 1 A 50 50 PRO HA H 50 4.268 4.438 -0.170 1 1 516 . 16 1 1 A 50 50 PRO C C 50 179.273 177.923 1.350 1 1 517 . 16 1 1 A 50 50 PRO CA C 50 65.791 64.883 0.908 1 1 518 . 16 1 1 A 50 50 PRO CB C 50 32.532 32.092 0.440 1 1 521 . 16 1 1 A 51 51 ALA H H 51 7.805 8.305 -0.500 1 1 522 . 16 1 1 A 51 51 ALA HA H 51 4.167 4.212 -0.045 1 1 526 . 16 1 1 A 51 51 ALA C C 51 178.947 180.282 -1.335 1 1 527 . 16 1 1 A 51 51 ALA CA C 51 55.079 54.858 0.221 1 1 528 . 16 1 1 A 51 51 ALA CB C 51 18.988 18.692 0.296 1 1 529 . 16 1 1 A 51 51 ALA N N 51 119.037 119.788 -0.751 1 1 530 . 16 1 1 A 52 52 GLN H H 52 9.614 7.850 1.764 1 1 531 . 16 1 1 A 52 52 GLN HA H 52 3.969 4.129 -0.160 1 1 538 . 16 1 1 A 52 52 GLN C C 52 178.509 178.596 -0.087 1 1 539 . 16 1 1 A 52 52 GLN CA C 52 59.529 58.659 0.870 1 1 540 . 16 1 1 A 52 52 GLN CB C 52 29.107 28.368 0.739 1 1 542 . 16 1 1 A 52 52 GLN N N 52 122.017 117.719 4.298 1 1 544 . 16 1 1 A 53 53 ARG H H 53 8.524 7.919 0.605 1 1 545 . 16 1 1 A 53 53 ARG HA H 53 3.996 4.054 -0.058 1 1 552 . 16 1 1 A 53 53 ARG C C 53 178.479 179.012 -0.533 1 1 553 . 16 1 1 A 53 53 ARG CA C 53 58.825 59.170 -0.345 1 1 554 . 16 1 1 A 53 53 ARG CB C 53 30.546 30.434 0.112 1 1 557 . 16 1 1 A 53 53 ARG N N 53 116.703 119.232 -2.529 1 1 558 . 16 1 1 A 54 54 CYS H H 54 7.589 7.571 0.018 1 1 559 . 16 1 1 A 54 54 CYS HA H 54 4.641 4.325 0.316 1 1 562 . 16 1 1 A 54 54 CYS C C 54 175.840 175.423 0.417 1 1 563 . 16 1 1 A 54 54 CYS CA C 54 59.724 60.017 -0.293 1 1 564 . 16 1 1 A 54 54 CYS CB C 54 27.419 28.643 -1.224 1 1 565 . 16 1 1 A 54 54 CYS N N 54 113.424 116.517 -3.093 1 1 566 . 16 1 1 A 55 55 GLY H H 55 7.436 8.121 -0.685 1 1 567 . 16 1 1 A 55 55 GLY HA2 H 55 4.082 3.900 0.182 1 1 568 . 16 1 1 A 55 55 GLY HA3 H 55 4.082 3.905 0.177 1 1 569 . 16 1 1 A 55 55 GLY C C 55 174.435 174.882 -0.447 1 1 570 . 16 1 1 A 55 55 GLY CA C 55 46.977 46.738 0.239 1 1 571 . 16 1 1 A 55 55 GLY N N 55 109.572 109.544 0.028 1 1 572 . 16 1 1 A 56 56 ARG H H 56 7.860 8.294 -0.434 1 1 573 . 16 1 1 A 56 56 ARG HA H 56 4.472 4.421 0.051 1 1 580 . 16 1 1 A 56 56 ARG C C 56 174.959 175.539 -0.580 1 1 581 . 16 1 1 A 56 56 ARG CA C 56 55.687 56.517 -0.830 1 1 582 . 16 1 1 A 56 56 ARG CB C 56 32.785 33.468 -0.683 1 1 585 . 16 1 1 A 56 56 ARG N N 56 118.137 117.456 0.681 1 1 586 . 16 1 1 A 57 57 LEU H H 57 8.219 7.947 0.272 1 1 587 . 16 1 1 A 57 57 LEU HA H 57 4.926 4.749 0.177 1 1 597 . 16 1 1 A 57 57 LEU C C 57 175.333 175.477 -0.144 1 1 598 . 16 1 1 A 57 57 LEU CA C 57 53.043 53.820 -0.777 1 1 599 . 16 1 1 A 57 57 LEU CB C 57 46.459 42.958 3.501 1 1 603 . 16 1 1 A 57 57 LEU N N 57 117.496 120.905 -3.409 1 1 604 . 16 1 1 A 58 58 GLU H H 58 9.053 9.139 -0.086 1 1 605 . 16 1 1 A 58 58 GLU HA H 58 4.460 4.804 -0.344 1 1 610 . 16 1 1 A 58 58 GLU C C 58 175.683 176.491 -0.808 1 1 611 . 16 1 1 A 58 58 GLU CA C 58 54.144 54.658 -0.514 1 1 612 . 16 1 1 A 58 58 GLU CB C 58 33.286 32.845 0.441 1 1 614 . 16 1 1 A 58 58 GLU N N 58 121.883 123.907 -2.024 1 1 615 . 16 1 1 A 59 59 VAL H H 59 8.727 8.578 0.149 1 1 616 . 16 1 1 A 59 59 VAL HA H 59 3.213 3.516 -0.303 1 1 624 . 16 1 1 A 59 59 VAL C C 59 177.728 177.052 0.676 1 1 625 . 16 1 1 A 59 59 VAL CA C 59 65.823 65.590 0.233 1 1 626 . 16 1 1 A 59 59 VAL CB C 59 31.151 31.189 -0.038 1 1 629 . 16 1 1 A 59 59 VAL N N 59 121.698 122.470 -0.772 1 1 630 . 16 1 1 A 60 60 GLY H H 60 9.172 8.531 0.641 1 1 631 . 16 1 1 A 60 60 GLY HA2 H 60 4.500 3.999 0.501 1 1 632 . 16 1 1 A 60 60 GLY HA3 H 60 3.469 4.005 -0.536 1 1 633 . 16 1 1 A 60 60 GLY C C 60 173.646 174.028 -0.382 1 1 634 . 16 1 1 A 60 60 GLY CA C 60 44.148 45.069 -0.921 1 1 635 . 16 1 1 A 60 60 GLY N N 60 117.734 115.248 2.486 1 1 636 . 16 1 1 A 61 61 ASP H H 61 7.877 7.877 0.000 1 1 637 . 16 1 1 A 61 61 ASP HA H 61 4.551 4.620 -0.069 1 1 640 . 16 1 1 A 61 61 ASP C C 61 175.437 175.354 0.083 1 1 641 . 16 1 1 A 61 61 ASP CA C 61 56.057 55.435 0.622 1 1 642 . 16 1 1 A 61 61 ASP CB C 61 40.660 41.700 -1.040 1 1 643 . 16 1 1 A 61 61 ASP N N 61 121.399 121.909 -0.510 1 1 644 . 16 1 1 A 62 62 LEU H H 62 8.773 8.800 -0.027 1 1 645 . 16 1 1 A 62 62 LEU HA H 62 4.713 4.855 -0.142 1 1 655 . 16 1 1 A 62 62 LEU C C 62 176.560 175.641 0.919 1 1 656 . 16 1 1 A 62 62 LEU CA C 62 54.259 53.265 0.994 1 1 657 . 16 1 1 A 62 62 LEU CB C 62 42.022 42.695 -0.673 1 1 661 . 16 1 1 A 62 62 LEU N N 62 120.566 123.325 -2.759 1 1 662 . 16 1 1 A 63 63 VAL H H 63 8.121 8.926 -0.805 1 1 663 . 16 1 1 A 63 63 VAL HA H 63 4.113 4.035 0.078 1 1 671 . 16 1 1 A 63 63 VAL C C 63 175.468 175.428 0.040 1 1 672 . 16 1 1 A 63 63 VAL CA C 63 61.763 62.743 -0.980 1 1 673 . 16 1 1 A 63 63 VAL CB C 63 31.413 31.929 -0.516 1 1 676 . 16 1 1 A 63 63 VAL N N 63 121.172 124.966 -3.794 1 1 677 . 16 1 1 A 64 64 LEU H H 64 9.077 8.937 0.140 1 1 678 . 16 1 1 A 64 64 LEU HA H 64 4.113 4.250 -0.137 1 1 688 . 16 1 1 A 64 64 LEU C C 64 177.611 176.280 1.331 1 1 689 . 16 1 1 A 64 64 LEU CA C 64 56.614 55.476 1.138 1 1 690 . 16 1 1 A 64 64 LEU CB C 64 42.994 42.773 0.221 1 1 694 . 16 1 1 A 64 64 LEU N N 64 130.175 127.480 2.695 1 1 695 . 16 1 1 A 65 65 HIS H H 65 7.510 7.254 0.256 1 1 696 . 16 1 1 A 65 65 HIS HA H 65 5.297 5.254 0.043 1 1 701 . 16 1 1 A 65 65 HIS C C 65 174.833 173.276 1.557 1 1 702 . 16 1 1 A 65 65 HIS CA C 65 55.715 54.568 1.147 1 1 703 . 16 1 1 A 65 65 HIS CB C 65 35.813 33.893 1.920 1 1 706 . 16 1 1 A 65 65 HIS N N 65 115.096 114.342 0.754 1 1 707 . 16 1 1 A 66 66 ILE H H 66 8.675 8.430 0.245 1 1 708 . 16 1 1 A 66 66 ILE HA H 66 4.320 4.467 -0.147 1 1 718 . 16 1 1 A 66 66 ILE C C 66 175.571 175.988 -0.417 1 1 719 . 16 1 1 A 66 66 ILE CA C 66 60.510 60.089 0.421 1 1 720 . 16 1 1 A 66 66 ILE CB C 66 41.360 40.610 0.750 1 1 724 . 16 1 1 A 66 66 ILE N N 66 119.474 120.083 -0.609 1 1 725 . 16 1 1 A 67 67 ASN H H 67 10.170 9.819 0.351 1 1 726 . 16 1 1 A 67 67 ASN HA H 67 4.595 4.550 0.045 1 1 731 . 16 1 1 A 67 67 ASN C C 67 175.349 175.498 -0.149 1 1 732 . 16 1 1 A 67 67 ASN CA C 67 54.589 54.607 -0.018 1 1 733 . 16 1 1 A 67 67 ASN CB C 67 37.267 37.413 -0.146 1 1 734 . 16 1 1 A 67 67 ASN N N 67 129.216 127.171 2.045 1 1 736 . 16 1 1 A 68 68 GLY H H 68 9.396 8.772 0.624 1 1 737 . 16 1 1 A 68 68 GLY HA2 H 68 4.155 3.834 0.321 1 1 738 . 16 1 1 A 68 68 GLY HA3 H 68 3.585 3.885 -0.300 1 1 739 . 16 1 1 A 68 68 GLY C C 68 173.920 173.793 0.127 1 1 740 . 16 1 1 A 68 68 GLY CA C 68 45.267 45.944 -0.677 1 1 741 . 16 1 1 A 68 68 GLY N N 68 104.067 103.698 0.369 1 1 742 . 16 1 1 A 69 69 GLU H H 69 7.815 8.351 -0.536 1 1 743 . 16 1 1 A 69 69 GLU HA H 69 4.619 4.693 -0.074 1 1 748 . 16 1 1 A 69 69 GLU C C 69 175.696 174.879 0.817 1 1 749 . 16 1 1 A 69 69 GLU CA C 69 54.803 54.387 0.416 1 1 750 . 16 1 1 A 69 69 GLU CB C 69 32.281 31.843 0.438 1 1 752 . 16 1 1 A 69 69 GLU N N 69 121.337 119.935 1.402 1 1 753 . 16 1 1 A 70 70 SER H H 70 8.867 8.501 0.366 1 1 754 . 16 1 1 A 70 70 SER HA H 70 4.411 4.637 -0.226 1 1 757 . 16 1 1 A 70 70 SER C C 70 176.409 175.681 0.728 1 1 758 . 16 1 1 A 70 70 SER CA C 70 58.034 56.624 1.410 1 1 759 . 16 1 1 A 70 70 SER CB C 70 63.432 63.627 -0.195 1 1 760 . 16 1 1 A 70 70 SER N N 70 119.566 116.992 2.574 1 1 761 . 16 1 1 A 71 71 THR H H 71 7.914 9.185 -1.271 1 1 762 . 16 1 1 A 71 71 THR HA H 71 4.162 4.360 -0.198 1 1 767 . 16 1 1 A 71 71 THR C C 71 175.433 175.680 -0.247 1 1 768 . 16 1 1 A 71 71 THR CA C 71 60.921 63.564 -2.643 1 1 769 . 16 1 1 A 71 71 THR CB C 71 68.671 69.121 -0.450 1 1 771 . 16 1 1 A 71 71 THR N N 71 114.514 123.483 -8.969 1 1 772 . 16 1 1 A 72 72 GLN H H 72 8.131 7.887 0.244 1 1 773 . 16 1 1 A 72 72 GLN HA H 72 4.020 4.034 -0.014 1 1 780 . 16 1 1 A 72 72 GLN C C 72 176.950 177.570 -0.620 1 1 781 . 16 1 1 A 72 72 GLN CA C 72 58.361 59.724 -1.363 1 1 782 . 16 1 1 A 72 72 GLN CB C 72 28.079 28.541 -0.462 1 1 784 . 16 1 1 A 72 72 GLN N N 72 124.809 121.724 3.085 1 1 786 . 16 1 1 A 73 73 GLY H H 73 9.025 8.028 0.997 1 1 787 . 16 1 1 A 73 73 GLY HA2 H 73 4.092 4.008 0.084 1 1 788 . 16 1 1 A 73 73 GLY HA3 H 73 3.754 4.010 -0.256 1 1 789 . 16 1 1 A 73 73 GLY C C 73 173.971 173.736 0.235 1 1 790 . 16 1 1 A 73 73 GLY CA C 73 45.373 45.190 0.183 1 1 791 . 16 1 1 A 73 73 GLY N N 73 114.015 106.021 7.994 1 1 792 . 16 1 1 A 74 74 LEU H H 74 7.672 7.680 -0.008 1 1 793 . 16 1 1 A 74 74 LEU HA H 74 4.768 4.655 0.113 1 1 803 . 16 1 1 A 74 74 LEU C C 74 179.964 176.900 3.064 1 1 804 . 16 1 1 A 74 74 LEU CA C 74 54.682 53.946 0.736 1 1 805 . 16 1 1 A 74 74 LEU CB C 74 42.355 42.699 -0.344 1 1 809 . 16 1 1 A 74 74 LEU N N 74 118.933 121.138 -2.205 1 1 810 . 16 1 1 A 75 75 THR H H 75 8.911 8.888 0.023 1 1 811 . 16 1 1 A 75 75 THR HA H 75 4.799 4.703 0.096 1 1 816 . 16 1 1 A 75 75 THR C C 75 174.971 175.378 -0.407 1 1 817 . 16 1 1 A 75 75 THR CA C 75 60.571 60.720 -0.149 1 1 818 . 16 1 1 A 75 75 THR CB C 75 71.058 71.184 -0.126 1 1 820 . 16 1 1 A 75 75 THR N N 75 113.687 117.481 -3.794 1 1 821 . 16 1 1 A 76 76 HIS H H 76 9.474 8.818 0.656 1 1 822 . 16 1 1 A 76 76 HIS HA H 76 3.997 4.192 -0.195 1 1 826 . 16 1 1 A 76 76 HIS C C 76 176.917 176.943 -0.026 1 1 827 . 16 1 1 A 76 76 HIS CA C 76 61.208 60.504 0.704 1 1 828 . 16 1 1 A 76 76 HIS CB C 76 29.729 30.402 -0.673 1 1 830 . 16 1 1 A 76 76 HIS N N 76 122.022 122.037 -0.015 1 1 831 . 16 1 1 A 77 77 ALA H H 77 8.457 8.107 0.350 1 1 832 . 16 1 1 A 77 77 ALA HA H 77 3.946 3.553 0.393 1 1 836 . 16 1 1 A 77 77 ALA C C 77 181.502 179.839 1.663 1 1 837 . 16 1 1 A 77 77 ALA CA C 77 55.282 55.101 0.181 1 1 838 . 16 1 1 A 77 77 ALA CB C 77 18.162 18.220 -0.058 1 1 839 . 16 1 1 A 77 77 ALA N N 77 119.389 120.954 -1.565 1 1 840 . 16 1 1 A 78 78 GLN H H 78 7.991 8.177 -0.186 1 1 841 . 16 1 1 A 78 78 GLN HA H 78 4.029 4.032 -0.003 1 1 848 . 16 1 1 A 78 78 GLN C C 78 179.215 178.244 0.971 1 1 849 . 16 1 1 A 78 78 GLN CA C 78 58.562 58.893 -0.331 1 1 850 . 16 1 1 A 78 78 GLN CB C 78 29.592 28.546 1.046 1 1 852 . 16 1 1 A 78 78 GLN N N 78 117.510 117.548 -0.038 1 1 854 . 16 1 1 A 79 79 ALA H H 79 8.367 8.287 0.080 1 1 855 . 16 1 1 A 79 79 ALA HA H 79 3.775 4.081 -0.306 1 1 859 . 16 1 1 A 79 79 ALA C C 79 178.754 180.041 -1.287 1 1 860 . 16 1 1 A 79 79 ALA CA C 79 55.828 55.182 0.646 1 1 861 . 16 1 1 A 79 79 ALA CB C 79 18.733 18.607 0.126 1 1 862 . 16 1 1 A 79 79 ALA N N 79 123.463 122.273 1.190 1 1 863 . 16 1 1 A 80 80 VAL H H 80 8.228 8.096 0.132 1 1 864 . 16 1 1 A 80 80 VAL HA H 80 3.510 3.537 -0.027 1 1 872 . 16 1 1 A 80 80 VAL C C 80 179.087 178.031 1.056 1 1 873 . 16 1 1 A 80 80 VAL CA C 80 66.912 66.728 0.184 1 1 874 . 16 1 1 A 80 80 VAL CB C 80 31.781 31.529 0.252 1 1 877 . 16 1 1 A 80 80 VAL N N 80 116.720 118.048 -1.328 1 1 878 . 16 1 1 A 81 81 GLU H H 81 7.834 8.031 -0.197 1 1 879 . 16 1 1 A 81 81 GLU HA H 81 4.195 3.923 0.272 1 1 884 . 16 1 1 A 81 81 GLU C C 81 178.847 178.626 0.221 1 1 885 . 16 1 1 A 81 81 GLU CA C 81 59.100 59.967 -0.867 1 1 886 . 16 1 1 A 81 81 GLU CB C 81 28.818 28.838 -0.020 1 1 888 . 16 1 1 A 81 81 GLU N N 81 121.198 119.846 1.352 1 1 889 . 16 1 1 A 82 82 ARG H H 82 8.004 7.839 0.165 1 1 890 . 16 1 1 A 82 82 ARG HA H 82 4.021 4.043 -0.022 1 1 897 . 16 1 1 A 82 82 ARG C C 82 179.863 178.727 1.136 1 1 898 . 16 1 1 A 82 82 ARG CA C 82 58.487 58.886 -0.399 1 1 899 . 16 1 1 A 82 82 ARG CB C 82 29.026 30.029 -1.003 1 1 902 . 16 1 1 A 82 82 ARG N N 82 119.267 118.156 1.111 1 1 903 . 16 1 1 A 83 83 ILE H H 83 7.875 7.620 0.255 1 1 904 . 16 1 1 A 83 83 ILE HA H 83 3.467 3.666 -0.199 1 1 914 . 16 1 1 A 83 83 ILE C C 83 179.211 177.675 1.536 1 1 915 . 16 1 1 A 83 83 ILE CA C 83 65.491 65.030 0.461 1 1 916 . 16 1 1 A 83 83 ILE CB C 83 38.055 37.694 0.361 1 1 920 . 16 1 1 A 83 83 ILE N N 83 120.039 120.171 -0.132 1 1 921 . 16 1 1 A 84 84 ARG H H 84 8.207 8.101 0.106 1 1 922 . 16 1 1 A 84 84 ARG HA H 84 4.125 4.102 0.023 1 1 929 . 16 1 1 A 84 84 ARG C C 84 179.062 179.466 -0.404 1 1 930 . 16 1 1 A 84 84 ARG CA C 84 59.643 59.941 -0.298 1 1 931 . 16 1 1 A 84 84 ARG CB C 84 30.197 30.197 0.000 1 1 934 . 16 1 1 A 84 84 ARG N N 84 121.315 119.802 1.513 1 1 935 . 16 1 1 A 85 85 ALA H H 85 8.366 8.390 -0.024 1 1 936 . 16 1 1 A 85 85 ALA HA H 85 4.241 4.060 0.181 1 1 940 . 16 1 1 A 85 85 ALA C C 85 179.042 179.859 -0.817 1 1 941 . 16 1 1 A 85 85 ALA CA C 85 53.695 54.868 -1.173 1 1 942 . 16 1 1 A 85 85 ALA CB C 85 18.806 18.605 0.201 1 1 943 . 16 1 1 A 85 85 ALA N N 85 120.166 122.135 -1.969 1 1 944 . 16 1 1 A 86 86 GLY H H 86 7.470 8.198 -0.728 1 1 945 . 16 1 1 A 86 86 GLY HA2 H 86 4.134 3.943 0.191 1 1 946 . 16 1 1 A 86 86 GLY HA3 H 86 4.134 3.965 0.169 1 1 947 . 16 1 1 A 86 86 GLY C C 86 174.699 174.693 0.006 1 1 948 . 16 1 1 A 86 86 GLY CA C 86 45.902 46.993 -1.091 1 1 949 . 16 1 1 A 86 86 GLY N N 86 104.067 106.428 -2.361 1 1 950 . 16 1 1 A 87 87 GLY H H 87 7.688 7.517 0.171 1 1 951 . 16 1 1 A 87 87 GLY HA2 H 87 4.528 4.083 0.445 1 1 952 . 16 1 1 A 87 87 GLY HA3 H 87 3.835 4.089 -0.254 1 1 953 . 16 1 1 A 87 87 GLY C C 87 173.611 174.052 -0.441 1 1 954 . 16 1 1 A 87 87 GLY CA C 87 44.677 44.238 0.439 1 1 955 . 16 1 1 A 87 87 GLY N N 87 107.458 105.903 1.555 1 1 956 . 16 1 1 A 88 88 PRO HA H 88 4.306 4.473 -0.167 1 1 963 . 16 1 1 A 88 88 PRO C C 88 175.247 176.485 -1.238 1 1 964 . 16 1 1 A 88 88 PRO CA C 88 64.596 64.201 0.395 1 1 965 . 16 1 1 A 88 88 PRO CB C 88 32.405 32.170 0.235 1 1 968 . 16 1 1 A 89 89 GLN H H 89 7.606 8.132 -0.526 1 1 969 . 16 1 1 A 89 89 GLN HA H 89 5.343 4.991 0.352 1 1 976 . 16 1 1 A 89 89 GLN C C 89 173.750 174.720 -0.970 1 1 977 . 16 1 1 A 89 89 GLN CA C 89 54.626 55.005 -0.379 1 1 978 . 16 1 1 A 89 89 GLN CB C 89 31.870 31.342 0.528 1 1 980 . 16 1 1 A 89 89 GLN N N 89 116.964 118.707 -1.743 1 1 982 . 16 1 1 A 90 90 LEU H H 90 8.610 8.616 -0.006 1 1 983 . 16 1 1 A 90 90 LEU HA H 90 4.757 4.882 -0.125 1 1 993 . 16 1 1 A 90 90 LEU C C 90 173.607 175.284 -1.677 1 1 994 . 16 1 1 A 90 90 LEU CA C 90 53.730 53.699 0.031 1 1 995 . 16 1 1 A 90 90 LEU CB C 90 45.549 44.163 1.386 1 1 999 . 16 1 1 A 90 90 LEU N N 90 124.460 127.111 -2.651 1 1 1000 . 16 1 1 A 91 91 HIS H H 91 8.826 8.866 -0.040 1 1 1001 . 16 1 1 A 91 91 HIS HA H 91 5.207 5.554 -0.347 1 1 1006 . 16 1 1 A 91 91 HIS C C 91 174.745 173.155 1.590 1 1 1007 . 16 1 1 A 91 91 HIS CA C 91 55.093 54.496 0.597 1 1 1008 . 16 1 1 A 91 91 HIS CB C 91 32.686 33.164 -0.478 1 1 1011 . 16 1 1 A 91 91 HIS N N 91 126.871 126.025 0.846 1 1 1012 . 16 1 1 A 92 92 LEU H H 92 9.024 8.818 0.206 1 1 1013 . 16 1 1 A 92 92 LEU HA H 92 5.203 4.813 0.390 1 1 1023 . 16 1 1 A 92 92 LEU C C 92 175.889 175.467 0.422 1 1 1024 . 16 1 1 A 92 92 LEU CA C 92 52.955 53.440 -0.485 1 1 1025 . 16 1 1 A 92 92 LEU CB C 92 46.233 45.539 0.694 1 1 1029 . 16 1 1 A 92 92 LEU N N 92 125.837 128.685 -2.848 1 1 1030 . 16 1 1 A 93 93 VAL H H 93 7.739 9.359 -1.620 1 1 1031 . 16 1 1 A 93 93 VAL HA H 93 4.568 4.497 0.071 1 1 1039 . 16 1 1 A 93 93 VAL C C 93 174.538 174.768 -0.230 1 1 1040 . 16 1 1 A 93 93 VAL CA C 93 62.666 61.890 0.776 1 1 1041 . 16 1 1 A 93 93 VAL CB C 93 32.838 31.934 0.904 1 1 1044 . 16 1 1 A 93 93 VAL N N 93 120.566 125.031 -4.465 1 1 1045 . 16 1 1 A 94 94 ILE H H 94 8.965 8.481 0.484 1 1 1046 . 16 1 1 A 94 94 ILE HA H 94 5.152 4.913 0.239 1 1 1056 . 16 1 1 A 94 94 ILE C C 94 174.723 174.560 0.163 1 1 1057 . 16 1 1 A 94 94 ILE CA C 94 56.360 59.053 -2.693 1 1 1058 . 16 1 1 A 94 94 ILE CB C 94 39.214 40.614 -1.400 1 1 1062 . 16 1 1 A 94 94 ILE N N 94 128.952 127.108 1.844 1 1 1063 . 16 1 1 A 95 95 ARG H H 95 8.286 8.423 -0.137 1 1 1064 . 16 1 1 A 95 95 ARG HA H 95 4.715 4.999 -0.284 1 1 1071 . 16 1 1 A 95 95 ARG C C 95 173.665 175.096 -1.431 1 1 1072 . 16 1 1 A 95 95 ARG CA C 95 54.982 54.703 0.279 1 1 1073 . 16 1 1 A 95 95 ARG CB C 95 34.833 33.640 1.193 1 1 1076 . 16 1 1 A 95 95 ARG N N 95 120.920 126.140 -5.220 1 1 1077 . 16 1 1 A 96 96 ARG H H 96 9.238 9.001 0.237 1 1 1078 . 16 1 1 A 96 96 ARG HA H 96 4.984 4.345 0.639 1 1 1086 . 16 1 1 A 96 96 ARG C C 96 174.582 174.791 -0.209 1 1 1087 . 16 1 1 A 96 96 ARG CA C 96 53.219 54.447 -1.228 1 1 1088 . 16 1 1 A 96 96 ARG CB C 96 31.369 31.221 0.148 1 1 1091 . 16 1 1 A 96 96 ARG N N 96 129.955 128.795 1.160 1 1 1093 . 16 1 1 A 97 97 PRO HA H 97 4.424 4.628 -0.204 1 1 1100 . 16 1 1 A 97 97 PRO C C 97 176.289 177.771 -1.482 1 1 1101 . 16 1 1 A 97 97 PRO CA C 97 63.322 62.414 0.908 1 1 1102 . 16 1 1 A 97 97 PRO CB C 97 32.240 32.542 -0.302 1 1 1105 . 16 1 1 A 98 98 LEU H H 98 8.325 8.836 -0.511 1 1 1106 . 16 1 1 A 98 98 LEU HA H 98 4.399 3.964 0.435 1 1 1116 . 16 1 1 A 98 98 LEU C C 98 177.395 177.653 -0.258 1 1 1117 . 16 1 1 A 98 98 LEU CA C 98 55.165 58.418 -3.253 1 1 1118 . 16 1 1 A 98 98 LEU CB C 98 42.419 42.188 0.231 1 1 1122 . 16 1 1 A 98 98 LEU N N 98 122.396 123.529 -1.133 1 1 1123 . 16 1 1 A 99 99 SER H H 99 8.333 7.716 0.617 1 1 1124 . 16 1 1 A 99 99 SER HA H 99 4.483 4.301 0.182 1 1 1127 . 16 1 1 A 99 99 SER C C 99 174.489 174.619 -0.130 1 1 1128 . 16 1 1 A 99 99 SER CA C 99 58.138 59.327 -1.189 1 1 1129 . 16 1 1 A 99 99 SER CB C 99 63.846 63.611 0.235 1 1 1130 . 16 1 1 A 99 99 SER N N 99 116.892 114.990 1.902 1 1 1131 . 16 1 1 A 100 100 GLY H H 100 8.253 8.516 -0.263 1 1 1132 . 16 1 1 A 100 100 GLY HA2 H 100 4.177 4.464 -0.287 1 1 1133 . 16 1 1 A 100 100 GLY HA3 H 100 4.101 4.467 -0.366 1 1 1134 . 16 1 1 A 100 100 GLY C C 100 171.838 173.211 -1.373 1 1 1135 . 16 1 1 A 100 100 GLY CA C 100 44.679 45.436 -0.757 1 1 1136 . 16 1 1 A 100 100 GLY N N 100 110.703 113.799 -3.096 1 1 1137 . 16 1 1 A 101 101 PRO HA H 101 4.480 4.553 -0.073 1 1 1144 . 16 1 1 A 101 101 PRO C C 101 177.411 176.208 1.203 1 1 1145 . 16 1 1 A 101 101 PRO CA C 101 63.312 64.097 -0.785 1 1 1146 . 16 1 1 A 101 101 PRO CB C 101 32.158 31.595 0.563 1 1 1149 . 16 1 1 A 102 102 SER H H 102 8.517 7.876 0.641 1 1 1150 . 16 1 1 A 102 102 SER C C 102 174.655 173.804 0.851 1 1 1151 . 16 1 1 A 102 102 SER CA C 102 58.438 57.217 1.221 1 1 1152 . 16 1 1 A 102 102 SER CB C 102 63.970 64.168 -0.198 1 1 1 . 17 1 1 A 2 2 SER HA H 2 4.493 5.368 -0.875 1 1 4 . 17 1 1 A 2 2 SER C C 2 174.671 172.678 1.993 1 1 5 . 17 1 1 A 2 2 SER CA C 2 58.438 56.338 2.100 1 1 6 . 17 1 1 A 2 2 SER CB C 2 63.558 66.012 -2.454 1 1 7 . 17 1 1 A 3 3 SER H H 3 8.324 8.583 -0.259 1 1 8 . 17 1 1 A 3 3 SER HA H 3 4.493 4.302 0.191 1 1 11 . 17 1 1 A 3 3 SER C C 3 173.918 174.835 -0.917 1 1 12 . 17 1 1 A 3 3 SER CA C 3 58.455 58.893 -0.438 1 1 13 . 17 1 1 A 3 3 SER CB C 3 63.929 63.576 0.353 1 1 14 . 17 1 1 A 3 3 SER N N 3 117.862 117.069 0.793 1 1 15 . 17 1 1 A 4 4 GLY H H 4 8.045 8.609 -0.564 1 1 16 . 17 1 1 A 4 4 GLY C C 4 179.001 173.035 5.966 1 1 17 . 17 1 1 A 4 4 GLY CA C 4 46.201 45.230 0.971 1 1 18 . 17 1 1 A 4 4 GLY N N 4 116.862 114.305 2.557 1 1 19 . 17 1 1 A 6 6 SER HA H 6 4.461 4.136 0.325 1 1 22 . 17 1 1 A 6 6 SER C C 6 175.170 175.117 0.053 1 1 23 . 17 1 1 A 6 6 SER CA C 6 58.755 60.535 -1.780 1 1 24 . 17 1 1 A 6 6 SER CB C 6 63.862 63.086 0.776 1 1 25 . 17 1 1 A 7 7 GLY H H 7 8.432 8.669 -0.237 1 1 26 . 17 1 1 A 7 7 GLY HA2 H 7 3.966 4.030 -0.064 1 1 27 . 17 1 1 A 7 7 GLY C C 7 174.309 172.850 1.459 1 1 28 . 17 1 1 A 7 7 GLY CA C 7 45.408 44.463 0.945 1 1 29 . 17 1 1 A 7 7 GLY N N 7 110.678 111.621 -0.943 1 1 30 . 17 1 1 A 8 8 GLN H H 8 8.210 8.435 -0.225 1 1 31 . 17 1 1 A 8 8 GLN HA H 8 4.324 5.101 -0.777 1 1 38 . 17 1 1 A 8 8 GLN C C 8 176.037 175.852 0.185 1 1 39 . 17 1 1 A 8 8 GLN CA C 8 55.970 53.737 2.233 1 1 40 . 17 1 1 A 8 8 GLN CB C 8 29.562 32.485 -2.923 1 1 42 . 17 1 1 A 8 8 GLN N N 8 119.977 121.181 -1.204 1 1 44 . 17 1 1 A 9 9 ALA H H 9 8.394 8.814 -0.420 1 1 45 . 17 1 1 A 9 9 ALA HA H 9 4.319 4.178 0.141 1 1 49 . 17 1 1 A 9 9 ALA C C 9 177.635 177.803 -0.168 1 1 50 . 17 1 1 A 9 9 ALA CA C 9 52.531 54.178 -1.647 1 1 51 . 17 1 1 A 9 9 ALA CB C 9 19.136 19.563 -0.427 1 1 52 . 17 1 1 A 9 9 ALA N N 9 125.301 124.425 0.876 1 1 53 . 17 1 1 A 10 10 SER H H 10 8.259 8.112 0.147 1 1 54 . 17 1 1 A 10 10 SER HA H 10 4.440 4.737 -0.297 1 1 57 . 17 1 1 A 10 10 SER C C 10 175.138 173.487 1.651 1 1 58 . 17 1 1 A 10 10 SER CA C 10 58.649 56.812 1.837 1 1 59 . 17 1 1 A 10 10 SER CB C 10 63.888 64.325 -0.437 1 1 60 . 17 1 1 A 10 10 SER N N 10 114.874 109.222 5.652 1 1 61 . 17 1 1 A 11 11 GLY H H 11 8.493 8.367 0.126 1 1 62 . 17 1 1 A 11 11 GLY HA2 H 11 4.039 4.143 -0.104 1 1 63 . 17 1 1 A 11 11 GLY HA3 H 11 4.039 4.163 -0.124 1 1 64 . 17 1 1 A 11 11 GLY C C 11 173.678 171.887 1.791 1 1 65 . 17 1 1 A 11 11 GLY CA C 11 45.531 45.245 0.286 1 1 66 . 17 1 1 A 11 11 GLY N N 11 110.301 111.519 -1.218 1 1 67 . 17 1 1 A 12 12 HIS H H 12 7.970 8.202 -0.232 1 1 68 . 17 1 1 A 12 12 HIS HA H 12 5.442 4.526 0.916 1 1 73 . 17 1 1 A 12 12 HIS C C 12 175.304 175.287 0.017 1 1 74 . 17 1 1 A 12 12 HIS CA C 12 55.095 57.488 -2.393 1 1 75 . 17 1 1 A 12 12 HIS CB C 12 31.849 30.131 1.718 1 1 78 . 17 1 1 A 12 12 HIS N N 12 119.432 118.560 0.872 1 1 79 . 17 1 1 A 13 13 PHE H H 13 8.940 8.426 0.514 1 1 80 . 17 1 1 A 13 13 PHE HA H 13 5.072 5.341 -0.269 1 1 88 . 17 1 1 A 13 13 PHE C C 13 172.688 174.700 -2.012 1 1 89 . 17 1 1 A 13 13 PHE CA C 13 56.269 55.237 1.032 1 1 90 . 17 1 1 A 13 13 PHE CB C 13 40.835 41.906 -1.071 1 1 96 . 17 1 1 A 13 13 PHE N N 13 118.413 122.790 -4.377 1 1 97 . 17 1 1 A 14 14 SER H H 14 8.709 8.884 -0.175 1 1 98 . 17 1 1 A 14 14 SER HA H 14 5.580 5.332 0.248 1 1 101 . 17 1 1 A 14 14 SER C C 14 174.119 173.944 0.175 1 1 102 . 17 1 1 A 14 14 SER CA C 14 56.974 55.824 1.150 1 1 103 . 17 1 1 A 14 14 SER CB C 14 65.778 65.373 0.405 1 1 104 . 17 1 1 A 14 14 SER N N 14 115.082 114.073 1.009 1 1 105 . 17 1 1 A 15 15 VAL H H 15 8.801 9.175 -0.374 1 1 106 . 17 1 1 A 15 15 VAL HA H 15 4.373 4.666 -0.293 1 1 114 . 17 1 1 A 15 15 VAL C C 15 173.002 174.973 -1.971 1 1 115 . 17 1 1 A 15 15 VAL CA C 15 61.312 61.414 -0.102 1 1 116 . 17 1 1 A 15 15 VAL CB C 15 36.461 32.882 3.579 1 1 119 . 17 1 1 A 15 15 VAL N N 15 121.148 122.841 -1.693 1 1 120 . 17 1 1 A 16 16 GLU H H 16 8.383 9.019 -0.636 1 1 121 . 17 1 1 A 16 16 GLU HA H 16 5.299 5.517 -0.218 1 1 126 . 17 1 1 A 16 16 GLU C C 16 175.408 175.186 0.222 1 1 127 . 17 1 1 A 16 16 GLU CA C 16 54.594 54.745 -0.151 1 1 128 . 17 1 1 A 16 16 GLU CB C 16 31.993 33.177 -1.184 1 1 130 . 17 1 1 A 16 16 GLU N N 16 125.925 125.543 0.382 1 1 131 . 17 1 1 A 17 17 LEU H H 17 9.172 8.907 0.265 1 1 132 . 17 1 1 A 17 17 LEU HA H 17 5.000 5.118 -0.118 1 1 142 . 17 1 1 A 17 17 LEU C C 17 175.596 176.244 -0.648 1 1 143 . 17 1 1 A 17 17 LEU CA C 17 52.919 53.672 -0.753 1 1 144 . 17 1 1 A 17 17 LEU CB C 17 47.317 46.892 0.425 1 1 148 . 17 1 1 A 17 17 LEU N N 17 122.761 122.945 -0.184 1 1 149 . 17 1 1 A 18 18 VAL H H 18 8.546 8.601 -0.055 1 1 150 . 17 1 1 A 18 18 VAL HA H 18 4.831 4.702 0.129 1 1 158 . 17 1 1 A 18 18 VAL C C 18 175.783 175.848 -0.065 1 1 159 . 17 1 1 A 18 18 VAL CA C 18 61.277 61.127 0.150 1 1 160 . 17 1 1 A 18 18 VAL CB C 18 33.600 33.909 -0.309 1 1 163 . 17 1 1 A 18 18 VAL N N 18 122.523 121.564 0.959 1 1 164 . 17 1 1 A 19 19 ARG H H 19 8.495 8.095 0.400 1 1 165 . 17 1 1 A 19 19 ARG HA H 19 2.868 3.435 -0.567 1 1 172 . 17 1 1 A 19 19 ARG C C 19 176.248 176.411 -0.163 1 1 173 . 17 1 1 A 19 19 ARG CA C 19 58.138 57.137 1.001 1 1 174 . 17 1 1 A 19 19 ARG CB C 19 30.839 30.768 0.071 1 1 177 . 17 1 1 A 19 19 ARG N N 19 127.015 128.184 -1.169 1 1 178 . 17 1 1 A 20 20 GLY H H 20 7.244 7.849 -0.605 1 1 179 . 17 1 1 A 20 20 GLY HA2 H 20 4.504 3.916 0.588 1 1 180 . 17 1 1 A 20 20 GLY HA3 H 20 3.750 3.926 -0.176 1 1 181 . 17 1 1 A 20 20 GLY C C 20 175.286 175.138 0.148 1 1 182 . 17 1 1 A 20 20 GLY CA C 20 44.131 46.133 -2.002 1 1 183 . 17 1 1 A 20 20 GLY N N 20 112.266 112.891 -0.625 1 1 184 . 17 1 1 A 21 21 TYR HA H 21 4.219 4.567 -0.348 1 1 191 . 17 1 1 A 21 21 TYR C C 21 176.309 175.334 0.975 1 1 192 . 17 1 1 A 21 21 TYR CA C 21 60.518 59.917 0.601 1 1 193 . 17 1 1 A 21 21 TYR CB C 21 37.826 40.279 -2.453 1 1 198 . 17 1 1 A 22 22 ALA H H 22 8.272 8.033 0.239 1 1 199 . 17 1 1 A 22 22 ALA HA H 22 4.404 4.605 -0.201 1 1 203 . 17 1 1 A 22 22 ALA C C 22 177.312 177.581 -0.269 1 1 204 . 17 1 1 A 22 22 ALA CA C 22 50.816 50.767 0.049 1 1 205 . 17 1 1 A 22 22 ALA CB C 22 18.455 20.171 -1.716 1 1 206 . 17 1 1 A 22 22 ALA N N 22 121.539 119.695 1.844 1 1 207 . 17 1 1 A 23 23 GLY H H 23 7.495 8.853 -1.358 1 1 208 . 17 1 1 A 23 23 GLY HA2 H 23 4.541 3.730 0.811 1 1 209 . 17 1 1 A 23 23 GLY HA3 H 23 3.238 3.853 -0.615 1 1 210 . 17 1 1 A 23 23 GLY C C 23 175.043 174.792 0.251 1 1 211 . 17 1 1 A 23 23 GLY CA C 23 44.897 46.397 -1.500 1 1 212 . 17 1 1 A 23 23 GLY N N 23 106.744 114.339 -7.595 1 1 213 . 17 1 1 A 24 24 PHE H H 24 7.242 8.729 -1.487 1 1 214 . 17 1 1 A 24 24 PHE HA H 24 4.369 4.600 -0.231 1 1 222 . 17 1 1 A 24 24 PHE C C 24 175.902 176.073 -0.171 1 1 223 . 17 1 1 A 24 24 PHE CA C 24 60.347 57.969 2.378 1 1 224 . 17 1 1 A 24 24 PHE CB C 24 39.575 40.501 -0.926 1 1 230 . 17 1 1 A 25 25 GLY H H 25 8.820 8.426 0.394 1 1 231 . 17 1 1 A 25 25 GLY HA2 H 25 4.134 3.990 0.144 1 1 232 . 17 1 1 A 25 25 GLY HA3 H 25 3.913 3.993 -0.080 1 1 233 . 17 1 1 A 25 25 GLY C C 25 174.585 174.289 0.296 1 1 234 . 17 1 1 A 25 25 GLY CA C 25 47.030 46.203 0.827 1 1 235 . 17 1 1 A 25 25 GLY N N 25 107.899 109.475 -1.576 1 1 236 . 17 1 1 A 26 26 LEU H H 26 7.991 7.848 0.143 1 1 237 . 17 1 1 A 26 26 LEU HA H 26 4.990 4.836 0.154 1 1 247 . 17 1 1 A 26 26 LEU C C 26 174.135 175.167 -1.032 1 1 248 . 17 1 1 A 26 26 LEU CA C 26 53.906 53.633 0.273 1 1 249 . 17 1 1 A 26 26 LEU CB C 26 45.939 44.063 1.876 1 1 253 . 17 1 1 A 26 26 LEU N N 26 122.133 122.868 -0.735 1 1 254 . 17 1 1 A 27 27 THR H H 27 8.657 8.733 -0.076 1 1 255 . 17 1 1 A 27 27 THR HA H 27 4.662 5.224 -0.562 1 1 260 . 17 1 1 A 27 27 THR C C 27 174.074 173.587 0.487 1 1 261 . 17 1 1 A 27 27 THR CA C 27 61.382 61.021 0.361 1 1 262 . 17 1 1 A 27 27 THR CB C 27 70.010 73.044 -3.034 1 1 264 . 17 1 1 A 27 27 THR N N 27 121.262 122.853 -1.591 1 1 265 . 17 1 1 A 28 28 LEU H H 28 9.692 9.083 0.609 1 1 266 . 17 1 1 A 28 28 LEU HA H 28 5.297 5.039 0.258 1 1 276 . 17 1 1 A 28 28 LEU C C 28 175.414 175.671 -0.257 1 1 277 . 17 1 1 A 28 28 LEU CA C 28 53.219 53.126 0.093 1 1 278 . 17 1 1 A 28 28 LEU CB C 28 45.049 44.548 0.501 1 1 282 . 17 1 1 A 28 28 LEU N N 28 128.374 124.621 3.753 1 1 283 . 17 1 1 A 29 29 GLY H H 29 8.818 8.646 0.172 1 1 284 . 17 1 1 A 29 29 GLY HA2 H 29 4.089 4.099 -0.010 1 1 285 . 17 1 1 A 29 29 GLY HA3 H 29 3.664 4.100 -0.436 1 1 286 . 17 1 1 A 29 29 GLY C C 29 171.700 174.427 -2.727 1 1 287 . 17 1 1 A 29 29 GLY CA C 29 44.086 45.314 -1.228 1 1 288 . 17 1 1 A 29 29 GLY N N 29 106.574 112.664 -6.090 1 1 289 . 17 1 1 A 30 30 GLY H H 30 8.339 8.310 0.029 1 1 290 . 17 1 1 A 30 30 GLY HA2 H 30 4.434 4.100 0.334 1 1 291 . 17 1 1 A 30 30 GLY HA3 H 30 3.554 4.120 -0.566 1 1 292 . 17 1 1 A 30 30 GLY C C 30 174.290 173.775 0.515 1 1 293 . 17 1 1 A 30 30 GLY CA C 30 44.879 44.420 0.459 1 1 294 . 17 1 1 A 30 30 GLY N N 30 107.245 112.615 -5.370 1 1 295 . 17 1 1 A 31 31 GLY H H 31 7.292 8.565 -1.273 1 1 296 . 17 1 1 A 31 31 GLY HA2 H 31 4.439 4.008 0.431 1 1 297 . 17 1 1 A 31 31 GLY HA3 H 31 4.000 4.043 -0.043 1 1 298 . 17 1 1 A 31 31 GLY C C 31 174.513 173.907 0.606 1 1 299 . 17 1 1 A 31 31 GLY CA C 31 43.589 45.175 -1.586 1 1 300 . 17 1 1 A 31 31 GLY N N 31 107.984 108.696 -0.712 1 1 301 . 17 1 1 A 32 32 ARG H H 32 8.065 8.335 -0.270 1 1 302 . 17 1 1 A 32 32 ARG HA H 32 4.380 4.342 0.038 1 1 309 . 17 1 1 A 32 32 ARG C C 32 176.139 175.021 1.118 1 1 310 . 17 1 1 A 32 32 ARG CA C 32 57.354 56.538 0.816 1 1 311 . 17 1 1 A 32 32 ARG CB C 32 30.080 30.920 -0.840 1 1 314 . 17 1 1 A 32 32 ARG N N 32 121.733 121.724 0.009 1 1 315 . 17 1 1 A 33 33 ASP H H 33 8.916 8.667 0.249 1 1 316 . 17 1 1 A 33 33 ASP HA H 33 4.799 4.928 -0.129 1 1 319 . 17 1 1 A 33 33 ASP C C 33 176.381 177.512 -1.131 1 1 320 . 17 1 1 A 33 33 ASP CA C 33 53.783 53.023 0.760 1 1 321 . 17 1 1 A 33 33 ASP CB C 33 43.712 43.456 0.256 1 1 322 . 17 1 1 A 33 33 ASP N N 33 126.313 126.236 0.077 1 1 323 . 17 1 1 A 34 34 VAL H H 34 8.372 8.615 -0.243 1 1 324 . 17 1 1 A 34 34 VAL HA H 34 3.943 3.921 0.022 1 1 329 . 17 1 1 A 34 34 VAL C C 34 176.591 175.714 0.877 1 1 330 . 17 1 1 A 34 34 VAL CA C 34 64.644 63.917 0.727 1 1 331 . 17 1 1 A 34 34 VAL CB C 34 31.796 31.448 0.348 1 1 333 . 17 1 1 A 34 34 VAL N N 34 121.465 123.491 -2.026 1 1 334 . 17 1 1 A 35 35 ALA H H 35 8.577 8.118 0.459 1 1 335 . 17 1 1 A 35 35 ALA HA H 35 4.386 4.540 -0.154 1 1 339 . 17 1 1 A 35 35 ALA C C 35 177.532 176.880 0.652 1 1 340 . 17 1 1 A 35 35 ALA CA C 35 52.589 51.882 0.707 1 1 341 . 17 1 1 A 35 35 ALA CB C 35 19.095 20.643 -1.548 1 1 342 . 17 1 1 A 35 35 ALA N N 35 123.222 123.959 -0.737 1 1 343 . 17 1 1 A 36 36 GLY H H 36 7.816 7.479 0.337 1 1 344 . 17 1 1 A 36 36 GLY HA2 H 36 4.274 4.001 0.273 1 1 345 . 17 1 1 A 36 36 GLY HA3 H 36 3.723 4.003 -0.280 1 1 346 . 17 1 1 A 36 36 GLY C C 36 172.610 171.663 0.947 1 1 347 . 17 1 1 A 36 36 GLY CA C 36 45.161 45.798 -0.637 1 1 348 . 17 1 1 A 36 36 GLY N N 36 107.925 103.635 4.290 1 1 349 . 17 1 1 A 37 37 ASP H H 37 8.604 8.620 -0.016 1 1 350 . 17 1 1 A 37 37 ASP HA H 37 4.810 5.353 -0.543 1 1 353 . 17 1 1 A 37 37 ASP C C 37 176.081 175.025 1.056 1 1 354 . 17 1 1 A 37 37 ASP CA C 37 54.700 52.947 1.753 1 1 355 . 17 1 1 A 37 37 ASP CB C 37 41.076 42.252 -1.176 1 1 356 . 17 1 1 A 37 37 ASP N N 37 124.969 117.963 7.006 1 1 357 . 17 1 1 A 38 38 THR H H 38 7.679 8.644 -0.965 1 1 358 . 17 1 1 A 38 38 THR HA H 38 4.704 5.013 -0.309 1 1 363 . 17 1 1 A 38 38 THR C C 38 172.712 172.573 0.139 1 1 364 . 17 1 1 A 38 38 THR CA C 38 59.810 58.569 1.241 1 1 365 . 17 1 1 A 38 38 THR CB C 38 70.420 69.598 0.822 1 1 367 . 17 1 1 A 38 38 THR N N 38 116.498 115.077 1.421 1 1 368 . 17 1 1 A 39 39 PRO HA H 39 4.305 4.688 -0.383 1 1 375 . 17 1 1 A 39 39 PRO C C 39 176.355 176.908 -0.553 1 1 376 . 17 1 1 A 39 39 PRO CA C 39 63.304 62.700 0.604 1 1 377 . 17 1 1 A 39 39 PRO CB C 39 32.703 31.750 0.953 1 1 380 . 17 1 1 A 40 40 LEU H H 40 8.247 8.193 0.054 1 1 381 . 17 1 1 A 40 40 LEU HA H 40 4.704 4.302 0.402 1 1 391 . 17 1 1 A 40 40 LEU C C 40 176.631 177.337 -0.706 1 1 392 . 17 1 1 A 40 40 LEU CA C 40 55.352 55.187 0.165 1 1 393 . 17 1 1 A 40 40 LEU CB C 40 42.524 42.500 0.024 1 1 397 . 17 1 1 A 40 40 LEU N N 40 125.558 124.054 1.504 1 1 398 . 17 1 1 A 41 41 ALA H H 41 8.856 8.829 0.027 1 1 399 . 17 1 1 A 41 41 ALA HA H 41 5.465 5.130 0.335 1 1 403 . 17 1 1 A 41 41 ALA C C 41 176.658 175.949 0.709 1 1 404 . 17 1 1 A 41 41 ALA CA C 41 50.503 51.569 -1.066 1 1 405 . 17 1 1 A 41 41 ALA CB C 41 24.074 22.895 1.179 1 1 406 . 17 1 1 A 41 41 ALA N N 41 128.426 125.793 2.633 1 1 407 . 17 1 1 A 42 42 VAL H H 42 9.160 8.482 0.678 1 1 408 . 17 1 1 A 42 42 VAL HA H 42 3.803 4.183 -0.380 1 1 416 . 17 1 1 A 42 42 VAL C C 42 176.499 175.732 0.767 1 1 417 . 17 1 1 A 42 42 VAL CA C 42 64.196 63.620 0.576 1 1 418 . 17 1 1 A 42 42 VAL CB C 42 31.773 31.788 -0.015 1 1 421 . 17 1 1 A 42 42 VAL N N 42 119.342 122.724 -3.382 1 1 422 . 17 1 1 A 43 43 ARG H H 43 9.385 9.103 0.282 1 1 423 . 17 1 1 A 43 43 ARG HA H 43 4.527 4.433 0.094 1 1 430 . 17 1 1 A 43 43 ARG C C 43 175.332 176.109 -0.777 1 1 431 . 17 1 1 A 43 43 ARG CA C 43 55.340 57.060 -1.720 1 1 432 . 17 1 1 A 43 43 ARG CB C 43 32.242 31.881 0.361 1 1 435 . 17 1 1 A 43 43 ARG N N 43 131.043 128.893 2.150 1 1 436 . 17 1 1 A 44 44 GLY H H 44 7.872 7.877 -0.005 1 1 437 . 17 1 1 A 44 44 GLY HA2 H 44 4.155 4.189 -0.034 1 1 438 . 17 1 1 A 44 44 GLY HA3 H 44 3.765 4.192 -0.427 1 1 439 . 17 1 1 A 44 44 GLY C C 44 170.284 171.788 -1.504 1 1 440 . 17 1 1 A 44 44 GLY CA C 44 45.602 44.043 1.559 1 1 441 . 17 1 1 A 44 44 GLY N N 44 107.517 107.701 -0.184 1 1 442 . 17 1 1 A 45 45 LEU H H 45 8.455 9.670 -1.215 1 1 443 . 17 1 1 A 45 45 LEU HA H 45 4.915 4.878 0.037 1 1 453 . 17 1 1 A 45 45 LEU C C 45 175.215 176.940 -1.725 1 1 454 . 17 1 1 A 45 45 LEU CA C 45 52.795 53.977 -1.182 1 1 455 . 17 1 1 A 45 45 LEU CB C 45 44.824 42.999 1.825 1 1 459 . 17 1 1 A 45 45 LEU N N 45 121.812 124.352 -2.540 1 1 460 . 17 1 1 A 46 46 LEU H H 46 7.582 8.752 -1.170 1 1 461 . 17 1 1 A 46 46 LEU HA H 46 4.208 4.308 -0.100 1 1 471 . 17 1 1 A 46 46 LEU C C 46 177.935 176.355 1.580 1 1 472 . 17 1 1 A 46 46 LEU CA C 46 54.984 56.060 -1.076 1 1 473 . 17 1 1 A 46 46 LEU CB C 46 42.815 43.039 -0.224 1 1 477 . 17 1 1 A 46 46 LEU N N 46 124.670 128.640 -3.970 1 1 478 . 17 1 1 A 47 47 LYS H H 47 8.959 8.497 0.462 1 1 479 . 17 1 1 A 47 47 LYS HA H 47 3.875 4.002 -0.127 1 1 488 . 17 1 1 A 47 47 LYS C C 47 176.699 177.048 -0.349 1 1 489 . 17 1 1 A 47 47 LYS CA C 47 58.861 56.993 1.868 1 1 490 . 17 1 1 A 47 47 LYS CB C 47 32.076 32.665 -0.589 1 1 494 . 17 1 1 A 47 47 LYS N N 47 129.726 126.266 3.460 1 1 495 . 17 1 1 A 48 48 ASP H H 48 8.845 8.976 -0.131 1 1 496 . 17 1 1 A 48 48 ASP HA H 48 4.395 4.369 0.026 1 1 499 . 17 1 1 A 48 48 ASP C C 48 175.442 175.549 -0.107 1 1 500 . 17 1 1 A 48 48 ASP CA C 48 56.632 54.953 1.679 1 1 501 . 17 1 1 A 48 48 ASP CB C 48 39.740 38.638 1.102 1 1 502 . 17 1 1 A 48 48 ASP N N 48 119.883 125.606 -5.723 1 1 503 . 17 1 1 A 49 49 GLY H H 49 7.947 8.015 -0.068 1 1 504 . 17 1 1 A 49 49 GLY HA2 H 49 4.578 4.108 0.470 1 1 505 . 17 1 1 A 49 49 GLY HA3 H 49 3.748 4.119 -0.371 1 1 506 . 17 1 1 A 49 49 GLY C C 49 172.008 174.698 -2.690 1 1 507 . 17 1 1 A 49 49 GLY CA C 49 45.000 43.826 1.174 1 1 508 . 17 1 1 A 49 49 GLY N N 49 106.565 108.792 -2.227 1 1 509 . 17 1 1 A 50 50 PRO HA H 50 4.268 4.382 -0.114 1 1 516 . 17 1 1 A 50 50 PRO C C 50 179.273 178.467 0.806 1 1 517 . 17 1 1 A 50 50 PRO CA C 50 65.791 65.032 0.759 1 1 518 . 17 1 1 A 50 50 PRO CB C 50 32.532 31.997 0.535 1 1 521 . 17 1 1 A 51 51 ALA H H 51 7.805 7.697 0.108 1 1 522 . 17 1 1 A 51 51 ALA HA H 51 4.167 4.155 0.012 1 1 526 . 17 1 1 A 51 51 ALA C C 51 178.947 179.862 -0.915 1 1 527 . 17 1 1 A 51 51 ALA CA C 51 55.079 55.193 -0.114 1 1 528 . 17 1 1 A 51 51 ALA CB C 51 18.988 18.377 0.611 1 1 529 . 17 1 1 A 51 51 ALA N N 51 119.037 119.579 -0.542 1 1 530 . 17 1 1 A 52 52 GLN H H 52 9.614 7.878 1.736 1 1 531 . 17 1 1 A 52 52 GLN HA H 52 3.969 4.064 -0.095 1 1 538 . 17 1 1 A 52 52 GLN C C 52 178.509 178.298 0.211 1 1 539 . 17 1 1 A 52 52 GLN CA C 52 59.529 59.168 0.361 1 1 540 . 17 1 1 A 52 52 GLN CB C 52 29.107 28.677 0.430 1 1 542 . 17 1 1 A 52 52 GLN N N 52 122.017 117.854 4.163 1 1 544 . 17 1 1 A 53 53 ARG H H 53 8.524 8.371 0.153 1 1 545 . 17 1 1 A 53 53 ARG HA H 53 3.996 4.023 -0.027 1 1 552 . 17 1 1 A 53 53 ARG C C 53 178.479 179.106 -0.627 1 1 553 . 17 1 1 A 53 53 ARG CA C 53 58.825 59.515 -0.690 1 1 554 . 17 1 1 A 53 53 ARG CB C 53 30.546 30.211 0.335 1 1 557 . 17 1 1 A 53 53 ARG N N 53 116.703 118.631 -1.928 1 1 558 . 17 1 1 A 54 54 CYS H H 54 7.589 7.537 0.052 1 1 559 . 17 1 1 A 54 54 CYS HA H 54 4.641 4.280 0.361 1 1 562 . 17 1 1 A 54 54 CYS C C 54 175.840 175.627 0.213 1 1 563 . 17 1 1 A 54 54 CYS CA C 54 59.724 60.981 -1.257 1 1 564 . 17 1 1 A 54 54 CYS CB C 54 27.419 27.811 -0.392 1 1 565 . 17 1 1 A 54 54 CYS N N 54 113.424 117.225 -3.801 1 1 566 . 17 1 1 A 55 55 GLY H H 55 7.436 7.889 -0.453 1 1 567 . 17 1 1 A 55 55 GLY HA2 H 55 4.082 3.910 0.172 1 1 568 . 17 1 1 A 55 55 GLY HA3 H 55 4.082 3.914 0.168 1 1 569 . 17 1 1 A 55 55 GLY C C 55 174.435 174.921 -0.486 1 1 570 . 17 1 1 A 55 55 GLY CA C 55 46.977 46.690 0.287 1 1 571 . 17 1 1 A 55 55 GLY N N 55 109.572 108.847 0.725 1 1 572 . 17 1 1 A 56 56 ARG H H 56 7.860 8.269 -0.409 1 1 573 . 17 1 1 A 56 56 ARG HA H 56 4.472 4.393 0.079 1 1 580 . 17 1 1 A 56 56 ARG C C 56 174.959 176.134 -1.175 1 1 581 . 17 1 1 A 56 56 ARG CA C 56 55.687 56.814 -1.127 1 1 582 . 17 1 1 A 56 56 ARG CB C 56 32.785 32.152 0.633 1 1 585 . 17 1 1 A 56 56 ARG N N 56 118.137 117.544 0.593 1 1 586 . 17 1 1 A 57 57 LEU H H 57 8.219 7.668 0.551 1 1 587 . 17 1 1 A 57 57 LEU HA H 57 4.926 4.974 -0.048 1 1 597 . 17 1 1 A 57 57 LEU C C 57 175.333 175.435 -0.102 1 1 598 . 17 1 1 A 57 57 LEU CA C 57 53.043 53.240 -0.197 1 1 599 . 17 1 1 A 57 57 LEU CB C 57 46.459 44.507 1.952 1 1 603 . 17 1 1 A 57 57 LEU N N 57 117.496 119.387 -1.891 1 1 604 . 17 1 1 A 58 58 GLU H H 58 9.053 9.414 -0.361 1 1 605 . 17 1 1 A 58 58 GLU HA H 58 4.460 4.847 -0.387 1 1 610 . 17 1 1 A 58 58 GLU C C 58 175.683 176.062 -0.379 1 1 611 . 17 1 1 A 58 58 GLU CA C 58 54.144 54.094 0.050 1 1 612 . 17 1 1 A 58 58 GLU CB C 58 33.286 33.142 0.144 1 1 614 . 17 1 1 A 58 58 GLU N N 58 121.883 121.945 -0.062 1 1 615 . 17 1 1 A 59 59 VAL H H 59 8.727 8.629 0.098 1 1 616 . 17 1 1 A 59 59 VAL HA H 59 3.213 3.672 -0.459 1 1 624 . 17 1 1 A 59 59 VAL C C 59 177.728 177.138 0.590 1 1 625 . 17 1 1 A 59 59 VAL CA C 59 65.823 65.055 0.768 1 1 626 . 17 1 1 A 59 59 VAL CB C 59 31.151 31.499 -0.348 1 1 629 . 17 1 1 A 59 59 VAL N N 59 121.698 122.144 -0.446 1 1 630 . 17 1 1 A 60 60 GLY H H 60 9.172 8.645 0.527 1 1 631 . 17 1 1 A 60 60 GLY HA2 H 60 4.500 4.014 0.486 1 1 632 . 17 1 1 A 60 60 GLY HA3 H 60 3.469 4.018 -0.549 1 1 633 . 17 1 1 A 60 60 GLY C C 60 173.646 174.054 -0.408 1 1 634 . 17 1 1 A 60 60 GLY CA C 60 44.148 45.075 -0.927 1 1 635 . 17 1 1 A 60 60 GLY N N 60 117.734 115.198 2.536 1 1 636 . 17 1 1 A 61 61 ASP H H 61 7.877 7.923 -0.046 1 1 637 . 17 1 1 A 61 61 ASP HA H 61 4.551 4.643 -0.092 1 1 640 . 17 1 1 A 61 61 ASP C C 61 175.437 175.635 -0.198 1 1 641 . 17 1 1 A 61 61 ASP CA C 61 56.057 55.412 0.645 1 1 642 . 17 1 1 A 61 61 ASP CB C 61 40.660 41.602 -0.942 1 1 643 . 17 1 1 A 61 61 ASP N N 61 121.399 122.067 -0.668 1 1 644 . 17 1 1 A 62 62 LEU H H 62 8.773 8.099 0.674 1 1 645 . 17 1 1 A 62 62 LEU HA H 62 4.713 4.861 -0.148 1 1 655 . 17 1 1 A 62 62 LEU C C 62 176.560 176.253 0.307 1 1 656 . 17 1 1 A 62 62 LEU CA C 62 54.259 53.557 0.702 1 1 657 . 17 1 1 A 62 62 LEU CB C 62 42.022 43.427 -1.405 1 1 661 . 17 1 1 A 62 62 LEU N N 62 120.566 124.228 -3.662 1 1 662 . 17 1 1 A 63 63 VAL H H 63 8.121 8.936 -0.815 1 1 663 . 17 1 1 A 63 63 VAL HA H 63 4.113 4.211 -0.098 1 1 671 . 17 1 1 A 63 63 VAL C C 63 175.468 175.386 0.082 1 1 672 . 17 1 1 A 63 63 VAL CA C 63 61.763 62.095 -0.332 1 1 673 . 17 1 1 A 63 63 VAL CB C 63 31.413 32.334 -0.921 1 1 676 . 17 1 1 A 63 63 VAL N N 63 121.172 123.586 -2.414 1 1 677 . 17 1 1 A 64 64 LEU H H 64 9.077 8.800 0.277 1 1 678 . 17 1 1 A 64 64 LEU HA H 64 4.113 4.136 -0.023 1 1 688 . 17 1 1 A 64 64 LEU C C 64 177.611 176.282 1.329 1 1 689 . 17 1 1 A 64 64 LEU CA C 64 56.614 55.438 1.176 1 1 690 . 17 1 1 A 64 64 LEU CB C 64 42.994 42.235 0.759 1 1 694 . 17 1 1 A 64 64 LEU N N 64 130.175 127.669 2.506 1 1 695 . 17 1 1 A 65 65 HIS H H 65 7.510 7.105 0.405 1 1 696 . 17 1 1 A 65 65 HIS HA H 65 5.297 5.169 0.128 1 1 701 . 17 1 1 A 65 65 HIS C C 65 174.833 173.646 1.187 1 1 702 . 17 1 1 A 65 65 HIS CA C 65 55.715 54.460 1.255 1 1 703 . 17 1 1 A 65 65 HIS CB C 65 35.813 34.389 1.424 1 1 706 . 17 1 1 A 65 65 HIS N N 65 115.096 114.281 0.815 1 1 707 . 17 1 1 A 66 66 ILE H H 66 8.675 8.621 0.054 1 1 708 . 17 1 1 A 66 66 ILE HA H 66 4.320 4.353 -0.033 1 1 718 . 17 1 1 A 66 66 ILE C C 66 175.571 175.886 -0.315 1 1 719 . 17 1 1 A 66 66 ILE CA C 66 60.510 60.110 0.400 1 1 720 . 17 1 1 A 66 66 ILE CB C 66 41.360 40.747 0.613 1 1 724 . 17 1 1 A 66 66 ILE N N 66 119.474 119.622 -0.148 1 1 725 . 17 1 1 A 67 67 ASN H H 67 10.170 9.562 0.608 1 1 726 . 17 1 1 A 67 67 ASN HA H 67 4.595 4.720 -0.125 1 1 731 . 17 1 1 A 67 67 ASN C C 67 175.349 175.544 -0.195 1 1 732 . 17 1 1 A 67 67 ASN CA C 67 54.589 54.698 -0.109 1 1 733 . 17 1 1 A 67 67 ASN CB C 67 37.267 37.473 -0.206 1 1 734 . 17 1 1 A 67 67 ASN N N 67 129.216 127.143 2.073 1 1 736 . 17 1 1 A 68 68 GLY H H 68 9.396 8.886 0.510 1 1 737 . 17 1 1 A 68 68 GLY HA2 H 68 4.155 3.885 0.270 1 1 738 . 17 1 1 A 68 68 GLY HA3 H 68 3.585 3.935 -0.350 1 1 739 . 17 1 1 A 68 68 GLY C C 68 173.920 173.726 0.194 1 1 740 . 17 1 1 A 68 68 GLY CA C 68 45.267 46.005 -0.738 1 1 741 . 17 1 1 A 68 68 GLY N N 68 104.067 103.718 0.349 1 1 742 . 17 1 1 A 69 69 GLU H H 69 7.815 8.077 -0.262 1 1 743 . 17 1 1 A 69 69 GLU HA H 69 4.619 4.671 -0.052 1 1 748 . 17 1 1 A 69 69 GLU C C 69 175.696 175.545 0.151 1 1 749 . 17 1 1 A 69 69 GLU CA C 69 54.803 54.741 0.062 1 1 750 . 17 1 1 A 69 69 GLU CB C 69 32.281 32.640 -0.359 1 1 752 . 17 1 1 A 69 69 GLU N N 69 121.337 120.818 0.519 1 1 753 . 17 1 1 A 70 70 SER H H 70 8.867 8.906 -0.039 1 1 754 . 17 1 1 A 70 70 SER HA H 70 4.411 4.973 -0.562 1 1 757 . 17 1 1 A 70 70 SER C C 70 176.409 175.710 0.699 1 1 758 . 17 1 1 A 70 70 SER CA C 70 58.034 57.267 0.767 1 1 759 . 17 1 1 A 70 70 SER CB C 70 63.432 64.037 -0.605 1 1 760 . 17 1 1 A 70 70 SER N N 70 119.566 117.096 2.470 1 1 761 . 17 1 1 A 71 71 THR H H 71 7.914 8.945 -1.031 1 1 762 . 17 1 1 A 71 71 THR HA H 71 4.162 4.428 -0.266 1 1 767 . 17 1 1 A 71 71 THR C C 71 175.433 176.174 -0.741 1 1 768 . 17 1 1 A 71 71 THR CA C 71 60.921 63.601 -2.680 1 1 769 . 17 1 1 A 71 71 THR CB C 71 68.671 69.156 -0.485 1 1 771 . 17 1 1 A 71 71 THR N N 71 114.514 116.193 -1.679 1 1 772 . 17 1 1 A 72 72 GLN H H 72 8.131 8.740 -0.609 1 1 773 . 17 1 1 A 72 72 GLN HA H 72 4.020 4.153 -0.133 1 1 780 . 17 1 1 A 72 72 GLN C C 72 176.950 176.622 0.328 1 1 781 . 17 1 1 A 72 72 GLN CA C 72 58.361 57.743 0.618 1 1 782 . 17 1 1 A 72 72 GLN CB C 72 28.079 28.387 -0.308 1 1 784 . 17 1 1 A 72 72 GLN N N 72 124.809 122.076 2.733 1 1 786 . 17 1 1 A 73 73 GLY H H 73 9.025 7.936 1.089 1 1 787 . 17 1 1 A 73 73 GLY HA2 H 73 4.092 4.013 0.079 1 1 788 . 17 1 1 A 73 73 GLY HA3 H 73 3.754 4.015 -0.261 1 1 789 . 17 1 1 A 73 73 GLY C C 73 173.971 173.155 0.816 1 1 790 . 17 1 1 A 73 73 GLY CA C 73 45.373 45.387 -0.014 1 1 791 . 17 1 1 A 73 73 GLY N N 73 114.015 106.666 7.349 1 1 792 . 17 1 1 A 74 74 LEU H H 74 7.672 7.601 0.071 1 1 793 . 17 1 1 A 74 74 LEU HA H 74 4.768 4.939 -0.171 1 1 803 . 17 1 1 A 74 74 LEU C C 74 179.964 176.385 3.579 1 1 804 . 17 1 1 A 74 74 LEU CA C 74 54.682 53.248 1.434 1 1 805 . 17 1 1 A 74 74 LEU CB C 74 42.355 44.265 -1.910 1 1 809 . 17 1 1 A 74 74 LEU N N 74 118.933 120.503 -1.570 1 1 810 . 17 1 1 A 75 75 THR H H 75 8.911 8.557 0.354 1 1 811 . 17 1 1 A 75 75 THR HA H 75 4.799 4.818 -0.019 1 1 816 . 17 1 1 A 75 75 THR C C 75 174.971 175.684 -0.713 1 1 817 . 17 1 1 A 75 75 THR CA C 75 60.571 59.967 0.604 1 1 818 . 17 1 1 A 75 75 THR CB C 75 71.058 71.973 -0.915 1 1 820 . 17 1 1 A 75 75 THR N N 75 113.687 114.837 -1.150 1 1 821 . 17 1 1 A 76 76 HIS H H 76 9.474 9.249 0.225 1 1 822 . 17 1 1 A 76 76 HIS HA H 76 3.997 4.159 -0.162 1 1 826 . 17 1 1 A 76 76 HIS C C 76 176.917 176.994 -0.077 1 1 827 . 17 1 1 A 76 76 HIS CA C 76 61.208 59.999 1.209 1 1 828 . 17 1 1 A 76 76 HIS CB C 76 29.729 30.237 -0.508 1 1 830 . 17 1 1 A 76 76 HIS N N 76 122.022 122.214 -0.192 1 1 831 . 17 1 1 A 77 77 ALA H H 77 8.457 8.199 0.258 1 1 832 . 17 1 1 A 77 77 ALA HA H 77 3.946 3.787 0.159 1 1 836 . 17 1 1 A 77 77 ALA C C 77 181.502 179.792 1.710 1 1 837 . 17 1 1 A 77 77 ALA CA C 77 55.282 55.102 0.180 1 1 838 . 17 1 1 A 77 77 ALA CB C 77 18.162 18.478 -0.316 1 1 839 . 17 1 1 A 77 77 ALA N N 77 119.389 121.096 -1.707 1 1 840 . 17 1 1 A 78 78 GLN H H 78 7.991 8.041 -0.050 1 1 841 . 17 1 1 A 78 78 GLN HA H 78 4.029 4.054 -0.025 1 1 848 . 17 1 1 A 78 78 GLN C C 78 179.215 178.372 0.843 1 1 849 . 17 1 1 A 78 78 GLN CA C 78 58.562 58.817 -0.255 1 1 850 . 17 1 1 A 78 78 GLN CB C 78 29.592 28.675 0.917 1 1 852 . 17 1 1 A 78 78 GLN N N 78 117.510 118.045 -0.535 1 1 854 . 17 1 1 A 79 79 ALA H H 79 8.367 8.327 0.040 1 1 855 . 17 1 1 A 79 79 ALA HA H 79 3.775 4.100 -0.325 1 1 859 . 17 1 1 A 79 79 ALA C C 79 178.754 179.530 -0.776 1 1 860 . 17 1 1 A 79 79 ALA CA C 79 55.828 55.264 0.564 1 1 861 . 17 1 1 A 79 79 ALA CB C 79 18.733 18.567 0.166 1 1 862 . 17 1 1 A 79 79 ALA N N 79 123.463 122.176 1.287 1 1 863 . 17 1 1 A 80 80 VAL H H 80 8.228 7.814 0.414 1 1 864 . 17 1 1 A 80 80 VAL HA H 80 3.510 3.428 0.082 1 1 872 . 17 1 1 A 80 80 VAL C C 80 179.087 177.995 1.092 1 1 873 . 17 1 1 A 80 80 VAL CA C 80 66.912 66.946 -0.034 1 1 874 . 17 1 1 A 80 80 VAL CB C 80 31.781 31.440 0.341 1 1 877 . 17 1 1 A 80 80 VAL N N 80 116.720 117.821 -1.101 1 1 878 . 17 1 1 A 81 81 GLU H H 81 7.834 8.242 -0.408 1 1 879 . 17 1 1 A 81 81 GLU HA H 81 4.195 3.982 0.213 1 1 884 . 17 1 1 A 81 81 GLU C C 81 178.847 178.237 0.610 1 1 885 . 17 1 1 A 81 81 GLU CA C 81 59.100 59.844 -0.744 1 1 886 . 17 1 1 A 81 81 GLU CB C 81 28.818 29.066 -0.248 1 1 888 . 17 1 1 A 81 81 GLU N N 81 121.198 119.929 1.269 1 1 889 . 17 1 1 A 82 82 ARG H H 82 8.004 8.182 -0.178 1 1 890 . 17 1 1 A 82 82 ARG HA H 82 4.021 3.959 0.062 1 1 897 . 17 1 1 A 82 82 ARG C C 82 179.863 178.641 1.222 1 1 898 . 17 1 1 A 82 82 ARG CA C 82 58.487 59.279 -0.792 1 1 899 . 17 1 1 A 82 82 ARG CB C 82 29.026 30.004 -0.978 1 1 902 . 17 1 1 A 82 82 ARG N N 82 119.267 118.892 0.375 1 1 903 . 17 1 1 A 83 83 ILE H H 83 7.875 7.753 0.122 1 1 904 . 17 1 1 A 83 83 ILE HA H 83 3.467 3.671 -0.204 1 1 914 . 17 1 1 A 83 83 ILE C C 83 179.211 177.888 1.323 1 1 915 . 17 1 1 A 83 83 ILE CA C 83 65.491 64.642 0.849 1 1 916 . 17 1 1 A 83 83 ILE CB C 83 38.055 37.987 0.068 1 1 920 . 17 1 1 A 83 83 ILE N N 83 120.039 120.887 -0.848 1 1 921 . 17 1 1 A 84 84 ARG H H 84 8.207 8.315 -0.108 1 1 922 . 17 1 1 A 84 84 ARG HA H 84 4.125 4.093 0.032 1 1 929 . 17 1 1 A 84 84 ARG C C 84 179.062 179.397 -0.335 1 1 930 . 17 1 1 A 84 84 ARG CA C 84 59.643 59.787 -0.144 1 1 931 . 17 1 1 A 84 84 ARG CB C 84 30.197 30.250 -0.053 1 1 934 . 17 1 1 A 84 84 ARG N N 84 121.315 119.791 1.524 1 1 935 . 17 1 1 A 85 85 ALA H H 85 8.366 8.470 -0.104 1 1 936 . 17 1 1 A 85 85 ALA HA H 85 4.241 4.227 0.014 1 1 940 . 17 1 1 A 85 85 ALA C C 85 179.042 179.569 -0.527 1 1 941 . 17 1 1 A 85 85 ALA CA C 85 53.695 54.430 -0.735 1 1 942 . 17 1 1 A 85 85 ALA CB C 85 18.806 18.701 0.105 1 1 943 . 17 1 1 A 85 85 ALA N N 85 120.166 121.687 -1.521 1 1 944 . 17 1 1 A 86 86 GLY H H 86 7.470 8.382 -0.912 1 1 945 . 17 1 1 A 86 86 GLY HA2 H 86 4.134 3.929 0.205 1 1 946 . 17 1 1 A 86 86 GLY HA3 H 86 4.134 3.938 0.196 1 1 947 . 17 1 1 A 86 86 GLY C C 86 174.699 174.584 0.115 1 1 948 . 17 1 1 A 86 86 GLY CA C 86 45.902 46.509 -0.607 1 1 949 . 17 1 1 A 86 86 GLY N N 86 104.067 106.374 -2.307 1 1 950 . 17 1 1 A 87 87 GLY H H 87 7.688 7.580 0.108 1 1 951 . 17 1 1 A 87 87 GLY HA2 H 87 4.528 4.069 0.459 1 1 952 . 17 1 1 A 87 87 GLY HA3 H 87 3.835 4.070 -0.235 1 1 953 . 17 1 1 A 87 87 GLY C C 87 173.611 173.945 -0.334 1 1 954 . 17 1 1 A 87 87 GLY CA C 87 44.677 44.485 0.192 1 1 955 . 17 1 1 A 87 87 GLY N N 87 107.458 106.138 1.320 1 1 956 . 17 1 1 A 88 88 PRO HA H 88 4.306 4.517 -0.211 1 1 963 . 17 1 1 A 88 88 PRO C C 88 175.247 176.395 -1.148 1 1 964 . 17 1 1 A 88 88 PRO CA C 88 64.596 64.155 0.441 1 1 965 . 17 1 1 A 88 88 PRO CB C 88 32.405 32.041 0.364 1 1 968 . 17 1 1 A 89 89 GLN H H 89 7.606 8.118 -0.512 1 1 969 . 17 1 1 A 89 89 GLN HA H 89 5.343 4.968 0.375 1 1 976 . 17 1 1 A 89 89 GLN C C 89 173.750 174.043 -0.293 1 1 977 . 17 1 1 A 89 89 GLN CA C 89 54.626 54.578 0.048 1 1 978 . 17 1 1 A 89 89 GLN CB C 89 31.870 31.925 -0.055 1 1 980 . 17 1 1 A 89 89 GLN N N 89 116.964 119.264 -2.300 1 1 982 . 17 1 1 A 90 90 LEU H H 90 8.610 8.505 0.105 1 1 983 . 17 1 1 A 90 90 LEU HA H 90 4.757 4.921 -0.164 1 1 993 . 17 1 1 A 90 90 LEU C C 90 173.607 175.070 -1.463 1 1 994 . 17 1 1 A 90 90 LEU CA C 90 53.730 53.496 0.234 1 1 995 . 17 1 1 A 90 90 LEU CB C 90 45.549 44.929 0.620 1 1 999 . 17 1 1 A 90 90 LEU N N 90 124.460 125.676 -1.216 1 1 1000 . 17 1 1 A 91 91 HIS H H 91 8.826 8.711 0.115 1 1 1001 . 17 1 1 A 91 91 HIS HA H 91 5.207 5.358 -0.151 1 1 1006 . 17 1 1 A 91 91 HIS C C 91 174.745 173.015 1.730 1 1 1007 . 17 1 1 A 91 91 HIS CA C 91 55.093 55.231 -0.138 1 1 1008 . 17 1 1 A 91 91 HIS CB C 91 32.686 33.355 -0.669 1 1 1011 . 17 1 1 A 91 91 HIS N N 91 126.871 124.097 2.774 1 1 1012 . 17 1 1 A 92 92 LEU H H 92 9.024 8.249 0.775 1 1 1013 . 17 1 1 A 92 92 LEU HA H 92 5.203 4.673 0.530 1 1 1023 . 17 1 1 A 92 92 LEU C C 92 175.889 175.103 0.786 1 1 1024 . 17 1 1 A 92 92 LEU CA C 92 52.955 53.331 -0.376 1 1 1025 . 17 1 1 A 92 92 LEU CB C 92 46.233 45.938 0.295 1 1 1029 . 17 1 1 A 92 92 LEU N N 92 125.837 127.546 -1.709 1 1 1030 . 17 1 1 A 93 93 VAL H H 93 7.739 8.925 -1.186 1 1 1031 . 17 1 1 A 93 93 VAL HA H 93 4.568 4.613 -0.045 1 1 1039 . 17 1 1 A 93 93 VAL C C 93 174.538 174.870 -0.332 1 1 1040 . 17 1 1 A 93 93 VAL CA C 93 62.666 61.592 1.074 1 1 1041 . 17 1 1 A 93 93 VAL CB C 93 32.838 32.191 0.647 1 1 1044 . 17 1 1 A 93 93 VAL N N 93 120.566 124.246 -3.680 1 1 1045 . 17 1 1 A 94 94 ILE H H 94 8.965 8.449 0.516 1 1 1046 . 17 1 1 A 94 94 ILE HA H 94 5.152 4.706 0.446 1 1 1056 . 17 1 1 A 94 94 ILE C C 94 174.723 173.772 0.951 1 1 1057 . 17 1 1 A 94 94 ILE CA C 94 56.360 59.085 -2.725 1 1 1058 . 17 1 1 A 94 94 ILE CB C 94 39.214 40.402 -1.188 1 1 1062 . 17 1 1 A 94 94 ILE N N 94 128.952 128.756 0.196 1 1 1063 . 17 1 1 A 95 95 ARG H H 95 8.286 9.111 -0.825 1 1 1064 . 17 1 1 A 95 95 ARG HA H 95 4.715 5.060 -0.345 1 1 1071 . 17 1 1 A 95 95 ARG C C 95 173.665 174.305 -0.640 1 1 1072 . 17 1 1 A 95 95 ARG CA C 95 54.982 54.089 0.893 1 1 1073 . 17 1 1 A 95 95 ARG CB C 95 34.833 33.690 1.143 1 1 1076 . 17 1 1 A 95 95 ARG N N 95 120.920 126.560 -5.640 1 1 1077 . 17 1 1 A 96 96 ARG H H 96 9.238 8.933 0.305 1 1 1078 . 17 1 1 A 96 96 ARG HA H 96 4.984 4.961 0.023 1 1 1086 . 17 1 1 A 96 96 ARG C C 96 174.582 175.081 -0.499 1 1 1087 . 17 1 1 A 96 96 ARG CA C 96 53.219 52.926 0.293 1 1 1088 . 17 1 1 A 96 96 ARG CB C 96 31.369 31.353 0.016 1 1 1091 . 17 1 1 A 96 96 ARG N N 96 129.955 128.072 1.883 1 1 1093 . 17 1 1 A 97 97 PRO HA H 97 4.424 4.633 -0.209 1 1 1100 . 17 1 1 A 97 97 PRO C C 97 176.289 176.152 0.137 1 1 1101 . 17 1 1 A 97 97 PRO CA C 97 63.322 62.227 1.095 1 1 1102 . 17 1 1 A 97 97 PRO CB C 97 32.240 33.108 -0.868 1 1 1105 . 17 1 1 A 98 98 LEU H H 98 8.325 8.383 -0.058 1 1 1106 . 17 1 1 A 98 98 LEU HA H 98 4.399 4.357 0.042 1 1 1116 . 17 1 1 A 98 98 LEU C C 98 177.395 175.211 2.184 1 1 1117 . 17 1 1 A 98 98 LEU CA C 98 55.165 55.893 -0.728 1 1 1118 . 17 1 1 A 98 98 LEU CB C 98 42.419 42.145 0.274 1 1 1122 . 17 1 1 A 98 98 LEU N N 98 122.396 123.350 -0.954 1 1 1123 . 17 1 1 A 99 99 SER H H 99 8.333 8.811 -0.478 1 1 1124 . 17 1 1 A 99 99 SER HA H 99 4.483 4.859 -0.376 1 1 1127 . 17 1 1 A 99 99 SER C C 99 174.489 173.915 0.574 1 1 1128 . 17 1 1 A 99 99 SER CA C 99 58.138 57.999 0.139 1 1 1129 . 17 1 1 A 99 99 SER CB C 99 63.846 61.760 2.086 1 1 1130 . 17 1 1 A 99 99 SER N N 99 116.892 124.690 -7.798 1 1 1131 . 17 1 1 A 100 100 GLY H H 100 8.253 8.151 0.102 1 1 1132 . 17 1 1 A 100 100 GLY HA2 H 100 4.177 4.295 -0.118 1 1 1133 . 17 1 1 A 100 100 GLY HA3 H 100 4.101 4.296 -0.195 1 1 1134 . 17 1 1 A 100 100 GLY C C 100 171.838 171.927 -0.089 1 1 1135 . 17 1 1 A 100 100 GLY CA C 100 44.679 44.135 0.544 1 1 1136 . 17 1 1 A 100 100 GLY N N 100 110.703 112.867 -2.164 1 1 1137 . 17 1 1 A 101 101 PRO HA H 101 4.480 4.682 -0.202 1 1 1144 . 17 1 1 A 101 101 PRO C C 101 177.411 175.863 1.548 1 1 1145 . 17 1 1 A 101 101 PRO CA C 101 63.312 62.858 0.454 1 1 1146 . 17 1 1 A 101 101 PRO CB C 101 32.158 31.587 0.571 1 1 1149 . 17 1 1 A 102 102 SER H H 102 8.517 8.620 -0.103 1 1 1150 . 17 1 1 A 102 102 SER C C 102 174.655 174.371 0.284 1 1 1151 . 17 1 1 A 102 102 SER CA C 102 58.438 58.069 0.369 1 1 1152 . 17 1 1 A 102 102 SER CB C 102 63.970 65.373 -1.403 1 1 1 . 18 1 1 A 2 2 SER HA H 2 4.493 4.563 -0.070 1 1 4 . 18 1 1 A 2 2 SER C C 2 174.671 173.532 1.139 1 1 5 . 18 1 1 A 2 2 SER CA C 2 58.438 57.760 0.678 1 1 6 . 18 1 1 A 2 2 SER CB C 2 63.558 61.626 1.932 1 1 7 . 18 1 1 A 3 3 SER H H 3 8.324 8.281 0.043 1 1 8 . 18 1 1 A 3 3 SER HA H 3 4.493 4.851 -0.358 1 1 11 . 18 1 1 A 3 3 SER C C 3 173.918 174.134 -0.216 1 1 12 . 18 1 1 A 3 3 SER CA C 3 58.455 57.007 1.448 1 1 13 . 18 1 1 A 3 3 SER CB C 3 63.929 64.981 -1.052 1 1 14 . 18 1 1 A 3 3 SER N N 3 117.862 119.062 -1.200 1 1 15 . 18 1 1 A 4 4 GLY H H 4 8.045 8.463 -0.418 1 1 16 . 18 1 1 A 4 4 GLY C C 4 179.001 173.394 5.607 1 1 17 . 18 1 1 A 4 4 GLY CA C 4 46.201 44.185 2.016 1 1 18 . 18 1 1 A 4 4 GLY N N 4 116.862 109.439 7.423 1 1 19 . 18 1 1 A 6 6 SER HA H 6 4.461 5.364 -0.903 1 1 22 . 18 1 1 A 6 6 SER C C 6 175.170 174.388 0.782 1 1 23 . 18 1 1 A 6 6 SER CA C 6 58.755 57.096 1.659 1 1 24 . 18 1 1 A 6 6 SER CB C 6 63.862 66.855 -2.993 1 1 25 . 18 1 1 A 7 7 GLY H H 7 8.432 8.239 0.193 1 1 26 . 18 1 1 A 7 7 GLY HA2 H 7 3.966 3.965 0.001 1 1 27 . 18 1 1 A 7 7 GLY C C 7 174.309 175.627 -1.318 1 1 28 . 18 1 1 A 7 7 GLY CA C 7 45.408 45.525 -0.117 1 1 29 . 18 1 1 A 7 7 GLY N N 7 110.678 109.683 0.995 1 1 30 . 18 1 1 A 8 8 GLN H H 8 8.210 8.219 -0.009 1 1 31 . 18 1 1 A 8 8 GLN HA H 8 4.324 4.412 -0.088 1 1 38 . 18 1 1 A 8 8 GLN C C 8 176.037 175.424 0.613 1 1 39 . 18 1 1 A 8 8 GLN CA C 8 55.970 58.137 -2.167 1 1 40 . 18 1 1 A 8 8 GLN CB C 8 29.562 29.585 -0.023 1 1 42 . 18 1 1 A 8 8 GLN N N 8 119.977 121.141 -1.164 1 1 44 . 18 1 1 A 9 9 ALA H H 9 8.394 7.957 0.437 1 1 45 . 18 1 1 A 9 9 ALA HA H 9 4.319 4.166 0.153 1 1 49 . 18 1 1 A 9 9 ALA C C 9 177.635 177.251 0.384 1 1 50 . 18 1 1 A 9 9 ALA CA C 9 52.531 53.112 -0.581 1 1 51 . 18 1 1 A 9 9 ALA CB C 9 19.136 17.318 1.818 1 1 52 . 18 1 1 A 9 9 ALA N N 9 125.301 120.624 4.677 1 1 53 . 18 1 1 A 10 10 SER H H 10 8.259 8.053 0.206 1 1 54 . 18 1 1 A 10 10 SER HA H 10 4.440 4.595 -0.155 1 1 57 . 18 1 1 A 10 10 SER C C 10 175.138 176.388 -1.250 1 1 58 . 18 1 1 A 10 10 SER CA C 10 58.649 60.901 -2.252 1 1 59 . 18 1 1 A 10 10 SER CB C 10 63.888 64.188 -0.300 1 1 60 . 18 1 1 A 10 10 SER N N 10 114.874 110.932 3.942 1 1 61 . 18 1 1 A 11 11 GLY H H 11 8.493 8.322 0.171 1 1 62 . 18 1 1 A 11 11 GLY HA2 H 11 4.039 3.443 0.596 1 1 63 . 18 1 1 A 11 11 GLY HA3 H 11 4.039 3.627 0.412 1 1 64 . 18 1 1 A 11 11 GLY C C 11 173.678 173.955 -0.277 1 1 65 . 18 1 1 A 11 11 GLY CA C 11 45.531 46.965 -1.434 1 1 66 . 18 1 1 A 11 11 GLY N N 11 110.301 109.446 0.855 1 1 67 . 18 1 1 A 12 12 HIS H H 12 7.970 7.717 0.253 1 1 68 . 18 1 1 A 12 12 HIS HA H 12 5.442 5.263 0.179 1 1 73 . 18 1 1 A 12 12 HIS C C 12 175.304 174.861 0.443 1 1 74 . 18 1 1 A 12 12 HIS CA C 12 55.095 55.080 0.015 1 1 75 . 18 1 1 A 12 12 HIS CB C 12 31.849 32.335 -0.486 1 1 78 . 18 1 1 A 12 12 HIS N N 12 119.432 116.457 2.975 1 1 79 . 18 1 1 A 13 13 PHE H H 13 8.940 8.618 0.322 1 1 80 . 18 1 1 A 13 13 PHE HA H 13 5.072 5.405 -0.333 1 1 88 . 18 1 1 A 13 13 PHE C C 13 172.688 172.334 0.354 1 1 89 . 18 1 1 A 13 13 PHE CA C 13 56.269 55.818 0.451 1 1 90 . 18 1 1 A 13 13 PHE CB C 13 40.835 41.565 -0.730 1 1 96 . 18 1 1 A 13 13 PHE N N 13 118.413 117.873 0.540 1 1 97 . 18 1 1 A 14 14 SER H H 14 8.709 8.924 -0.215 1 1 98 . 18 1 1 A 14 14 SER HA H 14 5.580 5.517 0.063 1 1 101 . 18 1 1 A 14 14 SER C C 14 174.119 172.857 1.262 1 1 102 . 18 1 1 A 14 14 SER CA C 14 56.974 56.770 0.204 1 1 103 . 18 1 1 A 14 14 SER CB C 14 65.778 66.255 -0.477 1 1 104 . 18 1 1 A 14 14 SER N N 14 115.082 116.123 -1.041 1 1 105 . 18 1 1 A 15 15 VAL H H 15 8.801 8.258 0.543 1 1 106 . 18 1 1 A 15 15 VAL HA H 15 4.373 4.837 -0.464 1 1 114 . 18 1 1 A 15 15 VAL C C 15 173.002 174.252 -1.250 1 1 115 . 18 1 1 A 15 15 VAL CA C 15 61.312 61.219 0.093 1 1 116 . 18 1 1 A 15 15 VAL CB C 15 36.461 34.167 2.294 1 1 119 . 18 1 1 A 15 15 VAL N N 15 121.148 121.821 -0.673 1 1 120 . 18 1 1 A 16 16 GLU H H 16 8.383 9.143 -0.760 1 1 121 . 18 1 1 A 16 16 GLU HA H 16 5.299 5.220 0.079 1 1 126 . 18 1 1 A 16 16 GLU C C 16 175.408 175.398 0.010 1 1 127 . 18 1 1 A 16 16 GLU CA C 16 54.594 54.829 -0.235 1 1 128 . 18 1 1 A 16 16 GLU CB C 16 31.993 32.494 -0.501 1 1 130 . 18 1 1 A 16 16 GLU N N 16 125.925 128.542 -2.617 1 1 131 . 18 1 1 A 17 17 LEU H H 17 9.172 8.568 0.604 1 1 132 . 18 1 1 A 17 17 LEU HA H 17 5.000 5.224 -0.224 1 1 142 . 18 1 1 A 17 17 LEU C C 17 175.596 175.901 -0.305 1 1 143 . 18 1 1 A 17 17 LEU CA C 17 52.919 53.534 -0.615 1 1 144 . 18 1 1 A 17 17 LEU CB C 17 47.317 46.423 0.894 1 1 148 . 18 1 1 A 17 17 LEU N N 17 122.761 127.329 -4.568 1 1 149 . 18 1 1 A 18 18 VAL H H 18 8.546 8.881 -0.335 1 1 150 . 18 1 1 A 18 18 VAL HA H 18 4.831 4.660 0.171 1 1 158 . 18 1 1 A 18 18 VAL C C 18 175.783 175.979 -0.196 1 1 159 . 18 1 1 A 18 18 VAL CA C 18 61.277 61.141 0.136 1 1 160 . 18 1 1 A 18 18 VAL CB C 18 33.600 33.870 -0.270 1 1 163 . 18 1 1 A 18 18 VAL N N 18 122.523 122.057 0.466 1 1 164 . 18 1 1 A 19 19 ARG H H 19 8.495 8.252 0.243 1 1 165 . 18 1 1 A 19 19 ARG HA H 19 2.868 3.378 -0.510 1 1 172 . 18 1 1 A 19 19 ARG C C 19 176.248 175.585 0.663 1 1 173 . 18 1 1 A 19 19 ARG CA C 19 58.138 57.012 1.126 1 1 174 . 18 1 1 A 19 19 ARG CB C 19 30.839 30.404 0.435 1 1 177 . 18 1 1 A 19 19 ARG N N 19 127.015 127.969 -0.954 1 1 178 . 18 1 1 A 20 20 GLY H H 20 7.244 7.929 -0.685 1 1 179 . 18 1 1 A 20 20 GLY HA2 H 20 4.504 4.036 0.468 1 1 180 . 18 1 1 A 20 20 GLY HA3 H 20 3.750 4.055 -0.305 1 1 181 . 18 1 1 A 20 20 GLY C C 20 175.286 172.667 2.619 1 1 182 . 18 1 1 A 20 20 GLY CA C 20 44.131 44.488 -0.357 1 1 183 . 18 1 1 A 20 20 GLY N N 20 112.266 111.906 0.360 1 1 184 . 18 1 1 A 21 21 TYR HA H 21 4.219 4.585 -0.366 1 1 191 . 18 1 1 A 21 21 TYR C C 21 176.309 175.278 1.031 1 1 192 . 18 1 1 A 21 21 TYR CA C 21 60.518 56.733 3.785 1 1 193 . 18 1 1 A 21 21 TYR CB C 21 37.826 37.444 0.382 1 1 198 . 18 1 1 A 22 22 ALA H H 22 8.272 8.193 0.079 1 1 199 . 18 1 1 A 22 22 ALA HA H 22 4.404 3.884 0.520 1 1 203 . 18 1 1 A 22 22 ALA C C 22 177.312 176.355 0.957 1 1 204 . 18 1 1 A 22 22 ALA CA C 22 50.816 53.210 -2.394 1 1 205 . 18 1 1 A 22 22 ALA CB C 22 18.455 17.918 0.537 1 1 206 . 18 1 1 A 22 22 ALA N N 22 121.539 128.860 -7.321 1 1 207 . 18 1 1 A 23 23 GLY H H 23 7.495 7.679 -0.184 1 1 208 . 18 1 1 A 23 23 GLY HA2 H 23 4.541 4.117 0.424 1 1 209 . 18 1 1 A 23 23 GLY HA3 H 23 3.238 4.189 -0.951 1 1 210 . 18 1 1 A 23 23 GLY C C 23 175.043 174.073 0.970 1 1 211 . 18 1 1 A 23 23 GLY CA C 23 44.897 45.420 -0.523 1 1 212 . 18 1 1 A 23 23 GLY N N 23 106.744 104.782 1.962 1 1 213 . 18 1 1 A 24 24 PHE H H 24 7.242 8.763 -1.521 1 1 214 . 18 1 1 A 24 24 PHE HA H 24 4.369 4.549 -0.180 1 1 222 . 18 1 1 A 24 24 PHE C C 24 175.902 176.340 -0.438 1 1 223 . 18 1 1 A 24 24 PHE CA C 24 60.347 58.350 1.997 1 1 224 . 18 1 1 A 24 24 PHE CB C 24 39.575 39.883 -0.308 1 1 230 . 18 1 1 A 25 25 GLY H H 25 8.820 8.625 0.195 1 1 231 . 18 1 1 A 25 25 GLY HA2 H 25 4.134 3.994 0.140 1 1 232 . 18 1 1 A 25 25 GLY HA3 H 25 3.913 3.997 -0.084 1 1 233 . 18 1 1 A 25 25 GLY C C 25 174.585 174.407 0.178 1 1 234 . 18 1 1 A 25 25 GLY CA C 25 47.030 46.270 0.760 1 1 235 . 18 1 1 A 25 25 GLY N N 25 107.899 109.339 -1.440 1 1 236 . 18 1 1 A 26 26 LEU H H 26 7.991 7.813 0.178 1 1 237 . 18 1 1 A 26 26 LEU HA H 26 4.990 4.829 0.161 1 1 247 . 18 1 1 A 26 26 LEU C C 26 174.135 174.710 -0.575 1 1 248 . 18 1 1 A 26 26 LEU CA C 26 53.906 53.504 0.402 1 1 249 . 18 1 1 A 26 26 LEU CB C 26 45.939 44.555 1.384 1 1 253 . 18 1 1 A 26 26 LEU N N 26 122.133 122.446 -0.313 1 1 254 . 18 1 1 A 27 27 THR H H 27 8.657 8.801 -0.144 1 1 255 . 18 1 1 A 27 27 THR HA H 27 4.662 5.015 -0.353 1 1 260 . 18 1 1 A 27 27 THR C C 27 174.074 173.447 0.627 1 1 261 . 18 1 1 A 27 27 THR CA C 27 61.382 62.060 -0.678 1 1 262 . 18 1 1 A 27 27 THR CB C 27 70.010 70.899 -0.889 1 1 264 . 18 1 1 A 27 27 THR N N 27 121.262 122.410 -1.148 1 1 265 . 18 1 1 A 28 28 LEU H H 28 9.692 9.015 0.677 1 1 266 . 18 1 1 A 28 28 LEU HA H 28 5.297 4.844 0.453 1 1 276 . 18 1 1 A 28 28 LEU C C 28 175.414 176.469 -1.055 1 1 277 . 18 1 1 A 28 28 LEU CA C 28 53.219 53.548 -0.329 1 1 278 . 18 1 1 A 28 28 LEU CB C 28 45.049 43.054 1.995 1 1 282 . 18 1 1 A 28 28 LEU N N 28 128.374 128.159 0.215 1 1 283 . 18 1 1 A 29 29 GLY H H 29 8.818 8.589 0.229 1 1 284 . 18 1 1 A 29 29 GLY HA2 H 29 4.089 4.062 0.027 1 1 285 . 18 1 1 A 29 29 GLY HA3 H 29 3.664 4.120 -0.456 1 1 286 . 18 1 1 A 29 29 GLY C C 29 171.700 174.490 -2.790 1 1 287 . 18 1 1 A 29 29 GLY CA C 29 44.086 44.578 -0.492 1 1 288 . 18 1 1 A 29 29 GLY N N 29 106.574 112.225 -5.651 1 1 289 . 18 1 1 A 30 30 GLY H H 30 8.339 8.178 0.161 1 1 290 . 18 1 1 A 30 30 GLY HA2 H 30 4.434 3.930 0.504 1 1 291 . 18 1 1 A 30 30 GLY HA3 H 30 3.554 3.934 -0.380 1 1 292 . 18 1 1 A 30 30 GLY C C 30 174.290 174.050 0.240 1 1 293 . 18 1 1 A 30 30 GLY CA C 30 44.879 45.394 -0.515 1 1 294 . 18 1 1 A 30 30 GLY N N 30 107.245 111.391 -4.146 1 1 295 . 18 1 1 A 31 31 GLY H H 31 7.292 8.729 -1.437 1 1 296 . 18 1 1 A 31 31 GLY HA2 H 31 4.439 4.041 0.398 1 1 297 . 18 1 1 A 31 31 GLY HA3 H 31 4.000 4.048 -0.048 1 1 298 . 18 1 1 A 31 31 GLY C C 31 174.513 173.256 1.257 1 1 299 . 18 1 1 A 31 31 GLY CA C 31 43.589 44.764 -1.175 1 1 300 . 18 1 1 A 31 31 GLY N N 31 107.984 108.845 -0.861 1 1 301 . 18 1 1 A 32 32 ARG H H 32 8.065 8.449 -0.384 1 1 302 . 18 1 1 A 32 32 ARG HA H 32 4.380 4.647 -0.267 1 1 309 . 18 1 1 A 32 32 ARG C C 32 176.139 174.863 1.276 1 1 310 . 18 1 1 A 32 32 ARG CA C 32 57.354 55.634 1.720 1 1 311 . 18 1 1 A 32 32 ARG CB C 32 30.080 31.119 -1.039 1 1 314 . 18 1 1 A 32 32 ARG N N 32 121.733 121.442 0.291 1 1 315 . 18 1 1 A 33 33 ASP H H 33 8.916 8.644 0.272 1 1 316 . 18 1 1 A 33 33 ASP HA H 33 4.799 5.017 -0.218 1 1 319 . 18 1 1 A 33 33 ASP C C 33 176.381 176.730 -0.349 1 1 320 . 18 1 1 A 33 33 ASP CA C 33 53.783 52.897 0.886 1 1 321 . 18 1 1 A 33 33 ASP CB C 33 43.712 43.779 -0.067 1 1 322 . 18 1 1 A 33 33 ASP N N 33 126.313 126.905 -0.592 1 1 323 . 18 1 1 A 34 34 VAL H H 34 8.372 8.564 -0.192 1 1 324 . 18 1 1 A 34 34 VAL HA H 34 3.943 3.872 0.071 1 1 329 . 18 1 1 A 34 34 VAL C C 34 176.591 176.523 0.068 1 1 330 . 18 1 1 A 34 34 VAL CA C 34 64.644 65.055 -0.411 1 1 331 . 18 1 1 A 34 34 VAL CB C 34 31.796 31.836 -0.040 1 1 333 . 18 1 1 A 34 34 VAL N N 34 121.465 124.247 -2.782 1 1 334 . 18 1 1 A 35 35 ALA H H 35 8.577 7.789 0.788 1 1 335 . 18 1 1 A 35 35 ALA HA H 35 4.386 4.513 -0.127 1 1 339 . 18 1 1 A 35 35 ALA C C 35 177.532 176.777 0.755 1 1 340 . 18 1 1 A 35 35 ALA CA C 35 52.589 51.253 1.336 1 1 341 . 18 1 1 A 35 35 ALA CB C 35 19.095 20.186 -1.091 1 1 342 . 18 1 1 A 35 35 ALA N N 35 123.222 120.538 2.684 1 1 343 . 18 1 1 A 36 36 GLY H H 36 7.816 7.457 0.359 1 1 344 . 18 1 1 A 36 36 GLY HA2 H 36 4.274 4.187 0.087 1 1 345 . 18 1 1 A 36 36 GLY HA3 H 36 3.723 4.189 -0.466 1 1 346 . 18 1 1 A 36 36 GLY C C 36 172.610 172.451 0.159 1 1 347 . 18 1 1 A 36 36 GLY CA C 36 45.161 45.495 -0.334 1 1 348 . 18 1 1 A 36 36 GLY N N 36 107.925 105.679 2.246 1 1 349 . 18 1 1 A 37 37 ASP H H 37 8.604 8.807 -0.203 1 1 350 . 18 1 1 A 37 37 ASP HA H 37 4.810 5.064 -0.254 1 1 353 . 18 1 1 A 37 37 ASP C C 37 176.081 175.505 0.576 1 1 354 . 18 1 1 A 37 37 ASP CA C 37 54.700 53.448 1.252 1 1 355 . 18 1 1 A 37 37 ASP CB C 37 41.076 41.699 -0.623 1 1 356 . 18 1 1 A 37 37 ASP N N 37 124.969 122.875 2.094 1 1 357 . 18 1 1 A 38 38 THR H H 38 7.679 8.596 -0.917 1 1 358 . 18 1 1 A 38 38 THR HA H 38 4.704 4.845 -0.141 1 1 363 . 18 1 1 A 38 38 THR C C 38 172.712 171.137 1.575 1 1 364 . 18 1 1 A 38 38 THR CA C 38 59.810 58.842 0.968 1 1 365 . 18 1 1 A 38 38 THR CB C 38 70.420 70.400 0.020 1 1 367 . 18 1 1 A 38 38 THR N N 38 116.498 114.562 1.936 1 1 368 . 18 1 1 A 39 39 PRO HA H 39 4.305 4.543 -0.238 1 1 375 . 18 1 1 A 39 39 PRO C C 39 176.355 176.914 -0.559 1 1 376 . 18 1 1 A 39 39 PRO CA C 39 63.304 62.662 0.642 1 1 377 . 18 1 1 A 39 39 PRO CB C 39 32.703 31.784 0.919 1 1 380 . 18 1 1 A 40 40 LEU H H 40 8.247 8.175 0.072 1 1 381 . 18 1 1 A 40 40 LEU HA H 40 4.704 4.268 0.436 1 1 391 . 18 1 1 A 40 40 LEU C C 40 176.631 177.329 -0.698 1 1 392 . 18 1 1 A 40 40 LEU CA C 40 55.352 55.329 0.023 1 1 393 . 18 1 1 A 40 40 LEU CB C 40 42.524 42.531 -0.007 1 1 397 . 18 1 1 A 40 40 LEU N N 40 125.558 124.057 1.501 1 1 398 . 18 1 1 A 41 41 ALA H H 41 8.856 8.251 0.605 1 1 399 . 18 1 1 A 41 41 ALA HA H 41 5.465 5.182 0.283 1 1 403 . 18 1 1 A 41 41 ALA C C 41 176.658 176.356 0.302 1 1 404 . 18 1 1 A 41 41 ALA CA C 41 50.503 51.553 -1.050 1 1 405 . 18 1 1 A 41 41 ALA CB C 41 24.074 22.800 1.274 1 1 406 . 18 1 1 A 41 41 ALA N N 41 128.426 125.457 2.969 1 1 407 . 18 1 1 A 42 42 VAL H H 42 9.160 8.339 0.821 1 1 408 . 18 1 1 A 42 42 VAL HA H 42 3.803 4.087 -0.284 1 1 416 . 18 1 1 A 42 42 VAL C C 42 176.499 175.696 0.803 1 1 417 . 18 1 1 A 42 42 VAL CA C 42 64.196 63.688 0.508 1 1 418 . 18 1 1 A 42 42 VAL CB C 42 31.773 31.938 -0.165 1 1 421 . 18 1 1 A 42 42 VAL N N 42 119.342 123.691 -4.349 1 1 422 . 18 1 1 A 43 43 ARG H H 43 9.385 9.418 -0.033 1 1 423 . 18 1 1 A 43 43 ARG HA H 43 4.527 4.418 0.109 1 1 430 . 18 1 1 A 43 43 ARG C C 43 175.332 175.858 -0.526 1 1 431 . 18 1 1 A 43 43 ARG CA C 43 55.340 57.034 -1.694 1 1 432 . 18 1 1 A 43 43 ARG CB C 43 32.242 31.909 0.333 1 1 435 . 18 1 1 A 43 43 ARG N N 43 131.043 128.408 2.635 1 1 436 . 18 1 1 A 44 44 GLY H H 44 7.872 7.439 0.433 1 1 437 . 18 1 1 A 44 44 GLY HA2 H 44 4.155 4.218 -0.063 1 1 438 . 18 1 1 A 44 44 GLY HA3 H 44 3.765 4.219 -0.454 1 1 439 . 18 1 1 A 44 44 GLY C C 44 170.284 171.747 -1.463 1 1 440 . 18 1 1 A 44 44 GLY CA C 44 45.602 44.072 1.530 1 1 441 . 18 1 1 A 44 44 GLY N N 44 107.517 107.555 -0.038 1 1 442 . 18 1 1 A 45 45 LEU H H 45 8.455 9.638 -1.183 1 1 443 . 18 1 1 A 45 45 LEU HA H 45 4.915 4.859 0.056 1 1 453 . 18 1 1 A 45 45 LEU C C 45 175.215 176.948 -1.733 1 1 454 . 18 1 1 A 45 45 LEU CA C 45 52.795 53.786 -0.991 1 1 455 . 18 1 1 A 45 45 LEU CB C 45 44.824 42.557 2.267 1 1 459 . 18 1 1 A 45 45 LEU N N 45 121.812 124.634 -2.822 1 1 460 . 18 1 1 A 46 46 LEU H H 46 7.582 8.740 -1.158 1 1 461 . 18 1 1 A 46 46 LEU HA H 46 4.208 4.427 -0.219 1 1 471 . 18 1 1 A 46 46 LEU C C 46 177.935 176.389 1.546 1 1 472 . 18 1 1 A 46 46 LEU CA C 46 54.984 55.911 -0.927 1 1 473 . 18 1 1 A 46 46 LEU CB C 46 42.815 42.304 0.511 1 1 477 . 18 1 1 A 46 46 LEU N N 46 124.670 128.378 -3.708 1 1 478 . 18 1 1 A 47 47 LYS H H 47 8.959 8.659 0.300 1 1 479 . 18 1 1 A 47 47 LYS HA H 47 3.875 3.872 0.003 1 1 488 . 18 1 1 A 47 47 LYS C C 47 176.699 176.969 -0.270 1 1 489 . 18 1 1 A 47 47 LYS CA C 47 58.861 58.153 0.708 1 1 490 . 18 1 1 A 47 47 LYS CB C 47 32.076 32.365 -0.289 1 1 494 . 18 1 1 A 47 47 LYS N N 47 129.726 127.976 1.750 1 1 495 . 18 1 1 A 48 48 ASP H H 48 8.845 9.038 -0.193 1 1 496 . 18 1 1 A 48 48 ASP HA H 48 4.395 4.276 0.119 1 1 499 . 18 1 1 A 48 48 ASP C C 48 175.442 175.080 0.362 1 1 500 . 18 1 1 A 48 48 ASP CA C 48 56.632 55.520 1.112 1 1 501 . 18 1 1 A 48 48 ASP CB C 48 39.740 40.231 -0.491 1 1 502 . 18 1 1 A 48 48 ASP N N 48 119.883 125.761 -5.878 1 1 503 . 18 1 1 A 49 49 GLY H H 49 7.947 7.967 -0.020 1 1 504 . 18 1 1 A 49 49 GLY HA2 H 49 4.578 4.166 0.412 1 1 505 . 18 1 1 A 49 49 GLY HA3 H 49 3.748 4.175 -0.427 1 1 506 . 18 1 1 A 49 49 GLY C C 49 172.008 174.773 -2.765 1 1 507 . 18 1 1 A 49 49 GLY CA C 49 45.000 44.023 0.977 1 1 508 . 18 1 1 A 49 49 GLY N N 49 106.565 108.173 -1.608 1 1 509 . 18 1 1 A 50 50 PRO HA H 50 4.268 4.385 -0.117 1 1 516 . 18 1 1 A 50 50 PRO C C 50 179.273 178.729 0.544 1 1 517 . 18 1 1 A 50 50 PRO CA C 50 65.791 65.089 0.702 1 1 518 . 18 1 1 A 50 50 PRO CB C 50 32.532 31.988 0.544 1 1 521 . 18 1 1 A 51 51 ALA H H 51 7.805 8.220 -0.415 1 1 522 . 18 1 1 A 51 51 ALA HA H 51 4.167 4.146 0.021 1 1 526 . 18 1 1 A 51 51 ALA C C 51 178.947 179.574 -0.627 1 1 527 . 18 1 1 A 51 51 ALA CA C 51 55.079 55.369 -0.290 1 1 528 . 18 1 1 A 51 51 ALA CB C 51 18.988 18.596 0.392 1 1 529 . 18 1 1 A 51 51 ALA N N 51 119.037 119.449 -0.412 1 1 530 . 18 1 1 A 52 52 GLN H H 52 9.614 8.221 1.393 1 1 531 . 18 1 1 A 52 52 GLN HA H 52 3.969 3.976 -0.007 1 1 538 . 18 1 1 A 52 52 GLN C C 52 178.509 178.373 0.136 1 1 539 . 18 1 1 A 52 52 GLN CA C 52 59.529 59.275 0.254 1 1 540 . 18 1 1 A 52 52 GLN CB C 52 29.107 28.283 0.824 1 1 542 . 18 1 1 A 52 52 GLN N N 52 122.017 118.164 3.853 1 1 544 . 18 1 1 A 53 53 ARG H H 53 8.524 8.063 0.461 1 1 545 . 18 1 1 A 53 53 ARG HA H 53 3.996 4.016 -0.020 1 1 552 . 18 1 1 A 53 53 ARG C C 53 178.479 179.170 -0.691 1 1 553 . 18 1 1 A 53 53 ARG CA C 53 58.825 59.446 -0.621 1 1 554 . 18 1 1 A 53 53 ARG CB C 53 30.546 30.162 0.384 1 1 557 . 18 1 1 A 53 53 ARG N N 53 116.703 118.600 -1.897 1 1 558 . 18 1 1 A 54 54 CYS H H 54 7.589 7.362 0.227 1 1 559 . 18 1 1 A 54 54 CYS HA H 54 4.641 4.405 0.236 1 1 562 . 18 1 1 A 54 54 CYS C C 54 175.840 175.155 0.685 1 1 563 . 18 1 1 A 54 54 CYS CA C 54 59.724 59.968 -0.244 1 1 564 . 18 1 1 A 54 54 CYS CB C 54 27.419 28.266 -0.847 1 1 565 . 18 1 1 A 54 54 CYS N N 54 113.424 117.210 -3.786 1 1 566 . 18 1 1 A 55 55 GLY H H 55 7.436 7.532 -0.096 1 1 567 . 18 1 1 A 55 55 GLY HA2 H 55 4.082 3.957 0.125 1 1 568 . 18 1 1 A 55 55 GLY HA3 H 55 4.082 3.963 0.119 1 1 569 . 18 1 1 A 55 55 GLY C C 55 174.435 175.805 -1.370 1 1 570 . 18 1 1 A 55 55 GLY CA C 55 46.977 45.454 1.523 1 1 571 . 18 1 1 A 55 55 GLY N N 55 109.572 108.520 1.052 1 1 572 . 18 1 1 A 56 56 ARG H H 56 7.860 8.273 -0.413 1 1 573 . 18 1 1 A 56 56 ARG HA H 56 4.472 3.992 0.480 1 1 580 . 18 1 1 A 56 56 ARG C C 56 174.959 176.717 -1.758 1 1 581 . 18 1 1 A 56 56 ARG CA C 56 55.687 58.782 -3.095 1 1 582 . 18 1 1 A 56 56 ARG CB C 56 32.785 30.236 2.549 1 1 585 . 18 1 1 A 56 56 ARG N N 56 118.137 120.119 -1.982 1 1 586 . 18 1 1 A 57 57 LEU H H 57 8.219 8.039 0.180 1 1 587 . 18 1 1 A 57 57 LEU HA H 57 4.926 4.633 0.293 1 1 597 . 18 1 1 A 57 57 LEU C C 57 175.333 176.081 -0.748 1 1 598 . 18 1 1 A 57 57 LEU CA C 57 53.043 53.570 -0.527 1 1 599 . 18 1 1 A 57 57 LEU CB C 57 46.459 43.618 2.841 1 1 603 . 18 1 1 A 57 57 LEU N N 57 117.496 119.422 -1.926 1 1 604 . 18 1 1 A 58 58 GLU H H 58 9.053 8.695 0.358 1 1 605 . 18 1 1 A 58 58 GLU HA H 58 4.460 4.874 -0.414 1 1 610 . 18 1 1 A 58 58 GLU C C 58 175.683 176.179 -0.496 1 1 611 . 18 1 1 A 58 58 GLU CA C 58 54.144 54.131 0.013 1 1 612 . 18 1 1 A 58 58 GLU CB C 58 33.286 34.058 -0.772 1 1 614 . 18 1 1 A 58 58 GLU N N 58 121.883 123.047 -1.164 1 1 615 . 18 1 1 A 59 59 VAL H H 59 8.727 8.597 0.130 1 1 616 . 18 1 1 A 59 59 VAL HA H 59 3.213 3.503 -0.290 1 1 624 . 18 1 1 A 59 59 VAL C C 59 177.728 177.098 0.630 1 1 625 . 18 1 1 A 59 59 VAL CA C 59 65.823 65.566 0.257 1 1 626 . 18 1 1 A 59 59 VAL CB C 59 31.151 31.302 -0.151 1 1 629 . 18 1 1 A 59 59 VAL N N 59 121.698 122.468 -0.770 1 1 630 . 18 1 1 A 60 60 GLY H H 60 9.172 8.646 0.526 1 1 631 . 18 1 1 A 60 60 GLY HA2 H 60 4.500 3.997 0.503 1 1 632 . 18 1 1 A 60 60 GLY HA3 H 60 3.469 4.004 -0.535 1 1 633 . 18 1 1 A 60 60 GLY C C 60 173.646 174.033 -0.387 1 1 634 . 18 1 1 A 60 60 GLY CA C 60 44.148 45.030 -0.882 1 1 635 . 18 1 1 A 60 60 GLY N N 60 117.734 115.209 2.525 1 1 636 . 18 1 1 A 61 61 ASP H H 61 7.877 7.867 0.010 1 1 637 . 18 1 1 A 61 61 ASP HA H 61 4.551 4.622 -0.071 1 1 640 . 18 1 1 A 61 61 ASP C C 61 175.437 175.281 0.156 1 1 641 . 18 1 1 A 61 61 ASP CA C 61 56.057 55.417 0.640 1 1 642 . 18 1 1 A 61 61 ASP CB C 61 40.660 41.750 -1.090 1 1 643 . 18 1 1 A 61 61 ASP N N 61 121.399 121.870 -0.471 1 1 644 . 18 1 1 A 62 62 LEU H H 62 8.773 8.545 0.228 1 1 645 . 18 1 1 A 62 62 LEU HA H 62 4.713 4.902 -0.189 1 1 655 . 18 1 1 A 62 62 LEU C C 62 176.560 176.070 0.490 1 1 656 . 18 1 1 A 62 62 LEU CA C 62 54.259 53.434 0.825 1 1 657 . 18 1 1 A 62 62 LEU CB C 62 42.022 43.959 -1.937 1 1 661 . 18 1 1 A 62 62 LEU N N 62 120.566 123.649 -3.083 1 1 662 . 18 1 1 A 63 63 VAL H H 63 8.121 8.818 -0.697 1 1 663 . 18 1 1 A 63 63 VAL HA H 63 4.113 4.198 -0.085 1 1 671 . 18 1 1 A 63 63 VAL C C 63 175.468 175.475 -0.007 1 1 672 . 18 1 1 A 63 63 VAL CA C 63 61.763 62.014 -0.251 1 1 673 . 18 1 1 A 63 63 VAL CB C 63 31.413 32.290 -0.877 1 1 676 . 18 1 1 A 63 63 VAL N N 63 121.172 123.667 -2.495 1 1 677 . 18 1 1 A 64 64 LEU H H 64 9.077 8.612 0.465 1 1 678 . 18 1 1 A 64 64 LEU HA H 64 4.113 4.188 -0.075 1 1 688 . 18 1 1 A 64 64 LEU C C 64 177.611 176.022 1.589 1 1 689 . 18 1 1 A 64 64 LEU CA C 64 56.614 55.168 1.446 1 1 690 . 18 1 1 A 64 64 LEU CB C 64 42.994 42.731 0.263 1 1 694 . 18 1 1 A 64 64 LEU N N 64 130.175 127.735 2.440 1 1 695 . 18 1 1 A 65 65 HIS H H 65 7.510 7.055 0.455 1 1 696 . 18 1 1 A 65 65 HIS HA H 65 5.297 5.117 0.180 1 1 701 . 18 1 1 A 65 65 HIS C C 65 174.833 173.537 1.296 1 1 702 . 18 1 1 A 65 65 HIS CA C 65 55.715 54.600 1.115 1 1 703 . 18 1 1 A 65 65 HIS CB C 65 35.813 34.500 1.313 1 1 706 . 18 1 1 A 65 65 HIS N N 65 115.096 115.027 0.069 1 1 707 . 18 1 1 A 66 66 ILE H H 66 8.675 8.539 0.136 1 1 708 . 18 1 1 A 66 66 ILE HA H 66 4.320 4.419 -0.099 1 1 718 . 18 1 1 A 66 66 ILE C C 66 175.571 176.196 -0.625 1 1 719 . 18 1 1 A 66 66 ILE CA C 66 60.510 60.361 0.149 1 1 720 . 18 1 1 A 66 66 ILE CB C 66 41.360 40.681 0.679 1 1 724 . 18 1 1 A 66 66 ILE N N 66 119.474 119.810 -0.336 1 1 725 . 18 1 1 A 67 67 ASN H H 67 10.170 9.604 0.566 1 1 726 . 18 1 1 A 67 67 ASN HA H 67 4.595 4.606 -0.011 1 1 731 . 18 1 1 A 67 67 ASN C C 67 175.349 175.215 0.134 1 1 732 . 18 1 1 A 67 67 ASN CA C 67 54.589 53.939 0.650 1 1 733 . 18 1 1 A 67 67 ASN CB C 67 37.267 36.223 1.044 1 1 734 . 18 1 1 A 67 67 ASN N N 67 129.216 126.171 3.045 1 1 736 . 18 1 1 A 68 68 GLY H H 68 9.396 8.686 0.710 1 1 737 . 18 1 1 A 68 68 GLY HA2 H 68 4.155 3.881 0.274 1 1 738 . 18 1 1 A 68 68 GLY HA3 H 68 3.585 3.881 -0.296 1 1 739 . 18 1 1 A 68 68 GLY C C 68 173.920 173.990 -0.070 1 1 740 . 18 1 1 A 68 68 GLY CA C 68 45.267 46.658 -1.391 1 1 741 . 18 1 1 A 68 68 GLY N N 68 104.067 107.796 -3.729 1 1 742 . 18 1 1 A 69 69 GLU H H 69 7.815 8.128 -0.313 1 1 743 . 18 1 1 A 69 69 GLU HA H 69 4.619 4.688 -0.069 1 1 748 . 18 1 1 A 69 69 GLU C C 69 175.696 175.303 0.393 1 1 749 . 18 1 1 A 69 69 GLU CA C 69 54.803 55.028 -0.225 1 1 750 . 18 1 1 A 69 69 GLU CB C 69 32.281 32.229 0.052 1 1 752 . 18 1 1 A 69 69 GLU N N 69 121.337 120.483 0.854 1 1 753 . 18 1 1 A 70 70 SER H H 70 8.867 9.003 -0.136 1 1 754 . 18 1 1 A 70 70 SER HA H 70 4.411 4.814 -0.403 1 1 757 . 18 1 1 A 70 70 SER C C 70 176.409 174.712 1.697 1 1 758 . 18 1 1 A 70 70 SER CA C 70 58.034 58.380 -0.346 1 1 759 . 18 1 1 A 70 70 SER CB C 70 63.432 63.013 0.419 1 1 760 . 18 1 1 A 70 70 SER N N 70 119.566 120.568 -1.002 1 1 761 . 18 1 1 A 71 71 THR H H 71 7.914 9.016 -1.102 1 1 762 . 18 1 1 A 71 71 THR HA H 71 4.162 4.384 -0.222 1 1 767 . 18 1 1 A 71 71 THR C C 71 175.433 175.557 -0.124 1 1 768 . 18 1 1 A 71 71 THR CA C 71 60.921 63.424 -2.503 1 1 769 . 18 1 1 A 71 71 THR CB C 71 68.671 68.911 -0.240 1 1 771 . 18 1 1 A 71 71 THR N N 71 114.514 121.075 -6.561 1 1 772 . 18 1 1 A 72 72 GLN H H 72 8.131 7.982 0.149 1 1 773 . 18 1 1 A 72 72 GLN HA H 72 4.020 4.070 -0.050 1 1 780 . 18 1 1 A 72 72 GLN C C 72 176.950 177.431 -0.481 1 1 781 . 18 1 1 A 72 72 GLN CA C 72 58.361 58.586 -0.225 1 1 782 . 18 1 1 A 72 72 GLN CB C 72 28.079 28.564 -0.485 1 1 784 . 18 1 1 A 72 72 GLN N N 72 124.809 121.162 3.647 1 1 786 . 18 1 1 A 73 73 GLY H H 73 9.025 7.913 1.112 1 1 787 . 18 1 1 A 73 73 GLY HA2 H 73 4.092 4.039 0.053 1 1 788 . 18 1 1 A 73 73 GLY HA3 H 73 3.754 4.041 -0.287 1 1 789 . 18 1 1 A 73 73 GLY C C 73 173.971 173.196 0.775 1 1 790 . 18 1 1 A 73 73 GLY CA C 73 45.373 45.629 -0.256 1 1 791 . 18 1 1 A 73 73 GLY N N 73 114.015 107.364 6.651 1 1 792 . 18 1 1 A 74 74 LEU H H 74 7.672 7.233 0.439 1 1 793 . 18 1 1 A 74 74 LEU HA H 74 4.768 4.694 0.074 1 1 803 . 18 1 1 A 74 74 LEU C C 74 179.964 177.267 2.697 1 1 804 . 18 1 1 A 74 74 LEU CA C 74 54.682 53.609 1.073 1 1 805 . 18 1 1 A 74 74 LEU CB C 74 42.355 43.649 -1.294 1 1 809 . 18 1 1 A 74 74 LEU N N 74 118.933 121.142 -2.209 1 1 810 . 18 1 1 A 75 75 THR H H 75 8.911 8.851 0.060 1 1 811 . 18 1 1 A 75 75 THR HA H 75 4.799 4.649 0.150 1 1 816 . 18 1 1 A 75 75 THR C C 75 174.971 175.362 -0.391 1 1 817 . 18 1 1 A 75 75 THR CA C 75 60.571 60.790 -0.219 1 1 818 . 18 1 1 A 75 75 THR CB C 75 71.058 71.175 -0.117 1 1 820 . 18 1 1 A 75 75 THR N N 75 113.687 116.850 -3.163 1 1 821 . 18 1 1 A 76 76 HIS H H 76 9.474 9.151 0.323 1 1 822 . 18 1 1 A 76 76 HIS HA H 76 3.997 4.074 -0.077 1 1 826 . 18 1 1 A 76 76 HIS C C 76 176.917 176.819 0.098 1 1 827 . 18 1 1 A 76 76 HIS CA C 76 61.208 61.218 -0.010 1 1 828 . 18 1 1 A 76 76 HIS CB C 76 29.729 30.417 -0.688 1 1 830 . 18 1 1 A 76 76 HIS N N 76 122.022 121.936 0.086 1 1 831 . 18 1 1 A 77 77 ALA H H 77 8.457 7.942 0.515 1 1 832 . 18 1 1 A 77 77 ALA HA H 77 3.946 3.581 0.365 1 1 836 . 18 1 1 A 77 77 ALA C C 77 181.502 179.828 1.674 1 1 837 . 18 1 1 A 77 77 ALA CA C 77 55.282 55.139 0.143 1 1 838 . 18 1 1 A 77 77 ALA CB C 77 18.162 17.972 0.190 1 1 839 . 18 1 1 A 77 77 ALA N N 77 119.389 120.609 -1.220 1 1 840 . 18 1 1 A 78 78 GLN H H 78 7.991 8.223 -0.232 1 1 841 . 18 1 1 A 78 78 GLN HA H 78 4.029 4.031 -0.002 1 1 848 . 18 1 1 A 78 78 GLN C C 78 179.215 178.322 0.893 1 1 849 . 18 1 1 A 78 78 GLN CA C 78 58.562 58.908 -0.346 1 1 850 . 18 1 1 A 78 78 GLN CB C 78 29.592 28.509 1.083 1 1 852 . 18 1 1 A 78 78 GLN N N 78 117.510 117.690 -0.180 1 1 854 . 18 1 1 A 79 79 ALA H H 79 8.367 8.102 0.265 1 1 855 . 18 1 1 A 79 79 ALA HA H 79 3.775 4.072 -0.297 1 1 859 . 18 1 1 A 79 79 ALA C C 79 178.754 180.031 -1.277 1 1 860 . 18 1 1 A 79 79 ALA CA C 79 55.828 55.313 0.515 1 1 861 . 18 1 1 A 79 79 ALA CB C 79 18.733 18.619 0.114 1 1 862 . 18 1 1 A 79 79 ALA N N 79 123.463 122.353 1.110 1 1 863 . 18 1 1 A 80 80 VAL H H 80 8.228 7.910 0.318 1 1 864 . 18 1 1 A 80 80 VAL HA H 80 3.510 3.551 -0.041 1 1 872 . 18 1 1 A 80 80 VAL C C 80 179.087 177.830 1.257 1 1 873 . 18 1 1 A 80 80 VAL CA C 80 66.912 66.764 0.148 1 1 874 . 18 1 1 A 80 80 VAL CB C 80 31.781 31.558 0.223 1 1 877 . 18 1 1 A 80 80 VAL N N 80 116.720 117.955 -1.235 1 1 878 . 18 1 1 A 81 81 GLU H H 81 7.834 8.339 -0.505 1 1 879 . 18 1 1 A 81 81 GLU HA H 81 4.195 3.961 0.234 1 1 884 . 18 1 1 A 81 81 GLU C C 81 178.847 178.857 -0.010 1 1 885 . 18 1 1 A 81 81 GLU CA C 81 59.100 59.975 -0.875 1 1 886 . 18 1 1 A 81 81 GLU CB C 81 28.818 29.535 -0.717 1 1 888 . 18 1 1 A 81 81 GLU N N 81 121.198 119.756 1.442 1 1 889 . 18 1 1 A 82 82 ARG H H 82 8.004 8.162 -0.158 1 1 890 . 18 1 1 A 82 82 ARG HA H 82 4.021 4.049 -0.028 1 1 897 . 18 1 1 A 82 82 ARG C C 82 179.863 178.569 1.294 1 1 898 . 18 1 1 A 82 82 ARG CA C 82 58.487 59.012 -0.525 1 1 899 . 18 1 1 A 82 82 ARG CB C 82 29.026 29.868 -0.842 1 1 902 . 18 1 1 A 82 82 ARG N N 82 119.267 118.393 0.874 1 1 903 . 18 1 1 A 83 83 ILE H H 83 7.875 8.224 -0.349 1 1 904 . 18 1 1 A 83 83 ILE HA H 83 3.467 3.646 -0.179 1 1 914 . 18 1 1 A 83 83 ILE C C 83 179.211 178.065 1.146 1 1 915 . 18 1 1 A 83 83 ILE CA C 83 65.491 65.314 0.177 1 1 916 . 18 1 1 A 83 83 ILE CB C 83 38.055 37.717 0.338 1 1 920 . 18 1 1 A 83 83 ILE N N 83 120.039 120.437 -0.398 1 1 921 . 18 1 1 A 84 84 ARG H H 84 8.207 8.506 -0.299 1 1 922 . 18 1 1 A 84 84 ARG HA H 84 4.125 4.197 -0.072 1 1 929 . 18 1 1 A 84 84 ARG C C 84 179.062 179.314 -0.252 1 1 930 . 18 1 1 A 84 84 ARG CA C 84 59.643 59.831 -0.188 1 1 931 . 18 1 1 A 84 84 ARG CB C 84 30.197 30.229 -0.032 1 1 934 . 18 1 1 A 84 84 ARG N N 84 121.315 120.579 0.736 1 1 935 . 18 1 1 A 85 85 ALA H H 85 8.366 8.189 0.177 1 1 936 . 18 1 1 A 85 85 ALA HA H 85 4.241 4.104 0.137 1 1 940 . 18 1 1 A 85 85 ALA C C 85 179.042 179.770 -0.728 1 1 941 . 18 1 1 A 85 85 ALA CA C 85 53.695 54.912 -1.217 1 1 942 . 18 1 1 A 85 85 ALA CB C 85 18.806 18.495 0.311 1 1 943 . 18 1 1 A 85 85 ALA N N 85 120.166 122.193 -2.027 1 1 944 . 18 1 1 A 86 86 GLY H H 86 7.470 8.582 -1.112 1 1 945 . 18 1 1 A 86 86 GLY HA2 H 86 4.134 3.890 0.244 1 1 946 . 18 1 1 A 86 86 GLY HA3 H 86 4.134 3.905 0.229 1 1 947 . 18 1 1 A 86 86 GLY C C 86 174.699 174.555 0.144 1 1 948 . 18 1 1 A 86 86 GLY CA C 86 45.902 47.216 -1.314 1 1 949 . 18 1 1 A 86 86 GLY N N 86 104.067 106.242 -2.175 1 1 950 . 18 1 1 A 87 87 GLY H H 87 7.688 7.297 0.391 1 1 951 . 18 1 1 A 87 87 GLY HA2 H 87 4.528 4.140 0.388 1 1 952 . 18 1 1 A 87 87 GLY HA3 H 87 3.835 4.142 -0.307 1 1 953 . 18 1 1 A 87 87 GLY C C 87 173.611 174.085 -0.474 1 1 954 . 18 1 1 A 87 87 GLY CA C 87 44.677 44.154 0.523 1 1 955 . 18 1 1 A 87 87 GLY N N 87 107.458 106.114 1.344 1 1 956 . 18 1 1 A 88 88 PRO HA H 88 4.306 4.525 -0.219 1 1 963 . 18 1 1 A 88 88 PRO C C 88 175.247 176.490 -1.243 1 1 964 . 18 1 1 A 88 88 PRO CA C 88 64.596 64.201 0.395 1 1 965 . 18 1 1 A 88 88 PRO CB C 88 32.405 31.961 0.444 1 1 968 . 18 1 1 A 89 89 GLN H H 89 7.606 8.154 -0.548 1 1 969 . 18 1 1 A 89 89 GLN HA H 89 5.343 4.974 0.369 1 1 976 . 18 1 1 A 89 89 GLN C C 89 173.750 174.222 -0.472 1 1 977 . 18 1 1 A 89 89 GLN CA C 89 54.626 54.648 -0.022 1 1 978 . 18 1 1 A 89 89 GLN CB C 89 31.870 31.722 0.148 1 1 980 . 18 1 1 A 89 89 GLN N N 89 116.964 119.295 -2.331 1 1 982 . 18 1 1 A 90 90 LEU H H 90 8.610 8.453 0.157 1 1 983 . 18 1 1 A 90 90 LEU HA H 90 4.757 4.777 -0.020 1 1 993 . 18 1 1 A 90 90 LEU C C 90 173.607 175.333 -1.726 1 1 994 . 18 1 1 A 90 90 LEU CA C 90 53.730 53.602 0.128 1 1 995 . 18 1 1 A 90 90 LEU CB C 90 45.549 43.784 1.765 1 1 999 . 18 1 1 A 90 90 LEU N N 90 124.460 126.745 -2.285 1 1 1000 . 18 1 1 A 91 91 HIS H H 91 8.826 8.856 -0.030 1 1 1001 . 18 1 1 A 91 91 HIS HA H 91 5.207 5.647 -0.440 1 1 1006 . 18 1 1 A 91 91 HIS C C 91 174.745 173.225 1.520 1 1 1007 . 18 1 1 A 91 91 HIS CA C 91 55.093 53.450 1.643 1 1 1008 . 18 1 1 A 91 91 HIS CB C 91 32.686 32.542 0.144 1 1 1011 . 18 1 1 A 91 91 HIS N N 91 126.871 126.675 0.196 1 1 1012 . 18 1 1 A 92 92 LEU H H 92 9.024 8.869 0.155 1 1 1013 . 18 1 1 A 92 92 LEU HA H 92 5.203 4.964 0.239 1 1 1023 . 18 1 1 A 92 92 LEU C C 92 175.889 175.458 0.431 1 1 1024 . 18 1 1 A 92 92 LEU CA C 92 52.955 53.470 -0.515 1 1 1025 . 18 1 1 A 92 92 LEU CB C 92 46.233 44.767 1.466 1 1 1029 . 18 1 1 A 92 92 LEU N N 92 125.837 128.530 -2.693 1 1 1030 . 18 1 1 A 93 93 VAL H H 93 7.739 8.756 -1.017 1 1 1031 . 18 1 1 A 93 93 VAL HA H 93 4.568 4.579 -0.011 1 1 1039 . 18 1 1 A 93 93 VAL C C 93 174.538 174.912 -0.374 1 1 1040 . 18 1 1 A 93 93 VAL CA C 93 62.666 62.068 0.598 1 1 1041 . 18 1 1 A 93 93 VAL CB C 93 32.838 31.516 1.322 1 1 1044 . 18 1 1 A 93 93 VAL N N 93 120.566 125.654 -5.088 1 1 1045 . 18 1 1 A 94 94 ILE H H 94 8.965 8.609 0.356 1 1 1046 . 18 1 1 A 94 94 ILE HA H 94 5.152 4.894 0.258 1 1 1056 . 18 1 1 A 94 94 ILE C C 94 174.723 174.516 0.207 1 1 1057 . 18 1 1 A 94 94 ILE CA C 94 56.360 59.124 -2.764 1 1 1058 . 18 1 1 A 94 94 ILE CB C 94 39.214 40.702 -1.488 1 1 1062 . 18 1 1 A 94 94 ILE N N 94 128.952 128.063 0.889 1 1 1063 . 18 1 1 A 95 95 ARG H H 95 8.286 8.265 0.021 1 1 1064 . 18 1 1 A 95 95 ARG HA H 95 4.715 4.878 -0.163 1 1 1071 . 18 1 1 A 95 95 ARG C C 95 173.665 175.048 -1.383 1 1 1072 . 18 1 1 A 95 95 ARG CA C 95 54.982 54.829 0.153 1 1 1073 . 18 1 1 A 95 95 ARG CB C 95 34.833 33.391 1.442 1 1 1076 . 18 1 1 A 95 95 ARG N N 95 120.920 125.750 -4.830 1 1 1077 . 18 1 1 A 96 96 ARG H H 96 9.238 8.712 0.526 1 1 1078 . 18 1 1 A 96 96 ARG HA H 96 4.984 4.409 0.575 1 1 1086 . 18 1 1 A 96 96 ARG C C 96 174.582 174.522 0.060 1 1 1087 . 18 1 1 A 96 96 ARG CA C 96 53.219 54.468 -1.249 1 1 1088 . 18 1 1 A 96 96 ARG CB C 96 31.369 30.662 0.707 1 1 1091 . 18 1 1 A 96 96 ARG N N 96 129.955 127.472 2.483 1 1 1093 . 18 1 1 A 97 97 PRO HA H 97 4.424 4.581 -0.157 1 1 1100 . 18 1 1 A 97 97 PRO C C 97 176.289 176.221 0.068 1 1 1101 . 18 1 1 A 97 97 PRO CA C 97 63.322 62.277 1.045 1 1 1102 . 18 1 1 A 97 97 PRO CB C 97 32.240 32.409 -0.169 1 1 1105 . 18 1 1 A 98 98 LEU H H 98 8.325 8.438 -0.113 1 1 1106 . 18 1 1 A 98 98 LEU HA H 98 4.399 4.344 0.055 1 1 1116 . 18 1 1 A 98 98 LEU C C 98 177.395 176.632 0.763 1 1 1117 . 18 1 1 A 98 98 LEU CA C 98 55.165 54.651 0.514 1 1 1118 . 18 1 1 A 98 98 LEU CB C 98 42.419 41.660 0.759 1 1 1122 . 18 1 1 A 98 98 LEU N N 98 122.396 122.511 -0.115 1 1 1123 . 18 1 1 A 99 99 SER H H 99 8.333 9.108 -0.775 1 1 1124 . 18 1 1 A 99 99 SER HA H 99 4.483 4.563 -0.080 1 1 1127 . 18 1 1 A 99 99 SER C C 99 174.489 174.091 0.398 1 1 1128 . 18 1 1 A 99 99 SER CA C 99 58.138 59.603 -1.465 1 1 1129 . 18 1 1 A 99 99 SER CB C 99 63.846 65.453 -1.607 1 1 1130 . 18 1 1 A 99 99 SER N N 99 116.892 120.421 -3.529 1 1 1131 . 18 1 1 A 100 100 GLY H H 100 8.253 7.329 0.924 1 1 1132 . 18 1 1 A 100 100 GLY HA2 H 100 4.177 4.074 0.103 1 1 1133 . 18 1 1 A 100 100 GLY HA3 H 100 4.101 4.074 0.027 1 1 1134 . 18 1 1 A 100 100 GLY C C 100 171.838 174.067 -2.229 1 1 1135 . 18 1 1 A 100 100 GLY CA C 100 44.679 44.556 0.123 1 1 1136 . 18 1 1 A 100 100 GLY N N 100 110.703 106.950 3.753 1 1 1137 . 18 1 1 A 101 101 PRO HA H 101 4.480 4.494 -0.014 1 1 1144 . 18 1 1 A 101 101 PRO C C 101 177.411 176.409 1.002 1 1 1145 . 18 1 1 A 101 101 PRO CA C 101 63.312 64.102 -0.790 1 1 1146 . 18 1 1 A 101 101 PRO CB C 101 32.158 31.855 0.303 1 1 1149 . 18 1 1 A 102 102 SER H H 102 8.517 7.940 0.577 1 1 1150 . 18 1 1 A 102 102 SER C C 102 174.655 173.874 0.781 1 1 1151 . 18 1 1 A 102 102 SER CA C 102 58.438 58.517 -0.079 1 1 1152 . 18 1 1 A 102 102 SER CB C 102 63.970 63.627 0.343 1 1 1 . 19 1 1 A 2 2 SER HA H 2 4.493 4.436 0.057 1 1 4 . 19 1 1 A 2 2 SER C C 2 174.671 174.765 -0.094 1 1 5 . 19 1 1 A 2 2 SER CA C 2 58.438 58.879 -0.441 1 1 6 . 19 1 1 A 2 2 SER CB C 2 63.558 64.074 -0.516 1 1 7 . 19 1 1 A 3 3 SER H H 3 8.324 8.905 -0.581 1 1 8 . 19 1 1 A 3 3 SER HA H 3 4.493 4.391 0.102 1 1 11 . 19 1 1 A 3 3 SER C C 3 173.918 174.657 -0.739 1 1 12 . 19 1 1 A 3 3 SER CA C 3 58.455 60.236 -1.781 1 1 13 . 19 1 1 A 3 3 SER CB C 3 63.929 63.433 0.496 1 1 14 . 19 1 1 A 3 3 SER N N 3 117.862 124.621 -6.759 1 1 15 . 19 1 1 A 4 4 GLY H H 4 8.045 7.276 0.769 1 1 16 . 19 1 1 A 4 4 GLY C C 4 179.001 172.865 6.136 1 1 17 . 19 1 1 A 4 4 GLY CA C 4 46.201 45.721 0.480 1 1 18 . 19 1 1 A 4 4 GLY N N 4 116.862 107.522 9.340 1 1 19 . 19 1 1 A 6 6 SER HA H 6 4.461 4.593 -0.132 1 1 22 . 19 1 1 A 6 6 SER C C 6 175.170 174.646 0.524 1 1 23 . 19 1 1 A 6 6 SER CA C 6 58.755 58.432 0.323 1 1 24 . 19 1 1 A 6 6 SER CB C 6 63.862 62.439 1.423 1 1 25 . 19 1 1 A 7 7 GLY H H 7 8.432 8.230 0.202 1 1 26 . 19 1 1 A 7 7 GLY HA2 H 7 3.966 4.056 -0.090 1 1 27 . 19 1 1 A 7 7 GLY C C 7 174.309 174.645 -0.336 1 1 28 . 19 1 1 A 7 7 GLY CA C 7 45.408 45.269 0.139 1 1 29 . 19 1 1 A 7 7 GLY N N 7 110.678 111.561 -0.883 1 1 30 . 19 1 1 A 8 8 GLN H H 8 8.210 7.903 0.307 1 1 31 . 19 1 1 A 8 8 GLN HA H 8 4.324 4.377 -0.053 1 1 38 . 19 1 1 A 8 8 GLN C C 8 176.037 175.164 0.873 1 1 39 . 19 1 1 A 8 8 GLN CA C 8 55.970 54.874 1.096 1 1 40 . 19 1 1 A 8 8 GLN CB C 8 29.562 27.917 1.645 1 1 42 . 19 1 1 A 8 8 GLN N N 8 119.977 120.443 -0.466 1 1 44 . 19 1 1 A 9 9 ALA H H 9 8.394 7.961 0.433 1 1 45 . 19 1 1 A 9 9 ALA HA H 9 4.319 4.237 0.082 1 1 49 . 19 1 1 A 9 9 ALA C C 9 177.635 177.333 0.302 1 1 50 . 19 1 1 A 9 9 ALA CA C 9 52.531 52.871 -0.340 1 1 51 . 19 1 1 A 9 9 ALA CB C 9 19.136 19.251 -0.115 1 1 52 . 19 1 1 A 9 9 ALA N N 9 125.301 127.498 -2.197 1 1 53 . 19 1 1 A 10 10 SER H H 10 8.259 8.641 -0.382 1 1 54 . 19 1 1 A 10 10 SER HA H 10 4.440 4.391 0.049 1 1 57 . 19 1 1 A 10 10 SER C C 10 175.138 174.883 0.255 1 1 58 . 19 1 1 A 10 10 SER CA C 10 58.649 59.312 -0.663 1 1 59 . 19 1 1 A 10 10 SER CB C 10 63.888 63.172 0.716 1 1 60 . 19 1 1 A 10 10 SER N N 10 114.874 116.799 -1.925 1 1 61 . 19 1 1 A 11 11 GLY H H 11 8.493 8.536 -0.043 1 1 62 . 19 1 1 A 11 11 GLY HA2 H 11 4.039 3.753 0.286 1 1 63 . 19 1 1 A 11 11 GLY HA3 H 11 4.039 3.900 0.139 1 1 64 . 19 1 1 A 11 11 GLY C C 11 173.678 174.109 -0.431 1 1 65 . 19 1 1 A 11 11 GLY CA C 11 45.531 46.073 -0.542 1 1 66 . 19 1 1 A 11 11 GLY N N 11 110.301 114.641 -4.340 1 1 67 . 19 1 1 A 12 12 HIS H H 12 7.970 8.008 -0.038 1 1 68 . 19 1 1 A 12 12 HIS HA H 12 5.442 4.404 1.038 1 1 73 . 19 1 1 A 12 12 HIS C C 12 175.304 175.286 0.018 1 1 74 . 19 1 1 A 12 12 HIS CA C 12 55.095 57.364 -2.269 1 1 75 . 19 1 1 A 12 12 HIS CB C 12 31.849 30.332 1.517 1 1 78 . 19 1 1 A 12 12 HIS N N 12 119.432 122.424 -2.992 1 1 79 . 19 1 1 A 13 13 PHE H H 13 8.940 8.657 0.283 1 1 80 . 19 1 1 A 13 13 PHE HA H 13 5.072 5.541 -0.469 1 1 88 . 19 1 1 A 13 13 PHE C C 13 172.688 173.297 -0.609 1 1 89 . 19 1 1 A 13 13 PHE CA C 13 56.269 55.443 0.826 1 1 90 . 19 1 1 A 13 13 PHE CB C 13 40.835 41.866 -1.031 1 1 96 . 19 1 1 A 13 13 PHE N N 13 118.413 121.316 -2.903 1 1 97 . 19 1 1 A 14 14 SER H H 14 8.709 8.809 -0.100 1 1 98 . 19 1 1 A 14 14 SER HA H 14 5.580 5.404 0.176 1 1 101 . 19 1 1 A 14 14 SER C C 14 174.119 172.907 1.212 1 1 102 . 19 1 1 A 14 14 SER CA C 14 56.974 57.049 -0.075 1 1 103 . 19 1 1 A 14 14 SER CB C 14 65.778 65.978 -0.200 1 1 104 . 19 1 1 A 14 14 SER N N 14 115.082 116.570 -1.488 1 1 105 . 19 1 1 A 15 15 VAL H H 15 8.801 8.585 0.216 1 1 106 . 19 1 1 A 15 15 VAL HA H 15 4.373 4.932 -0.559 1 1 114 . 19 1 1 A 15 15 VAL C C 15 173.002 175.024 -2.022 1 1 115 . 19 1 1 A 15 15 VAL CA C 15 61.312 61.120 0.192 1 1 116 . 19 1 1 A 15 15 VAL CB C 15 36.461 34.333 2.128 1 1 119 . 19 1 1 A 15 15 VAL N N 15 121.148 123.612 -2.464 1 1 120 . 19 1 1 A 16 16 GLU H H 16 8.383 8.955 -0.572 1 1 121 . 19 1 1 A 16 16 GLU HA H 16 5.299 5.488 -0.189 1 1 126 . 19 1 1 A 16 16 GLU C C 16 175.408 175.268 0.140 1 1 127 . 19 1 1 A 16 16 GLU CA C 16 54.594 54.953 -0.359 1 1 128 . 19 1 1 A 16 16 GLU CB C 16 31.993 32.221 -0.228 1 1 130 . 19 1 1 A 16 16 GLU N N 16 125.925 125.874 0.051 1 1 131 . 19 1 1 A 17 17 LEU H H 17 9.172 8.631 0.541 1 1 132 . 19 1 1 A 17 17 LEU HA H 17 5.000 5.205 -0.205 1 1 142 . 19 1 1 A 17 17 LEU C C 17 175.596 175.850 -0.254 1 1 143 . 19 1 1 A 17 17 LEU CA C 17 52.919 53.521 -0.602 1 1 144 . 19 1 1 A 17 17 LEU CB C 17 47.317 46.407 0.910 1 1 148 . 19 1 1 A 17 17 LEU N N 17 122.761 125.881 -3.120 1 1 149 . 19 1 1 A 18 18 VAL H H 18 8.546 8.891 -0.345 1 1 150 . 19 1 1 A 18 18 VAL HA H 18 4.831 4.671 0.160 1 1 158 . 19 1 1 A 18 18 VAL C C 18 175.783 176.038 -0.255 1 1 159 . 19 1 1 A 18 18 VAL CA C 18 61.277 61.250 0.027 1 1 160 . 19 1 1 A 18 18 VAL CB C 18 33.600 33.735 -0.135 1 1 163 . 19 1 1 A 18 18 VAL N N 18 122.523 121.717 0.806 1 1 164 . 19 1 1 A 19 19 ARG H H 19 8.495 8.542 -0.047 1 1 165 . 19 1 1 A 19 19 ARG HA H 19 2.868 3.246 -0.378 1 1 172 . 19 1 1 A 19 19 ARG C C 19 176.248 177.060 -0.812 1 1 173 . 19 1 1 A 19 19 ARG CA C 19 58.138 57.161 0.977 1 1 174 . 19 1 1 A 19 19 ARG CB C 19 30.839 30.672 0.167 1 1 177 . 19 1 1 A 19 19 ARG N N 19 127.015 128.063 -1.048 1 1 178 . 19 1 1 A 20 20 GLY H H 20 7.244 8.395 -1.151 1 1 179 . 19 1 1 A 20 20 GLY HA2 H 20 4.504 3.841 0.663 1 1 180 . 19 1 1 A 20 20 GLY HA3 H 20 3.750 3.842 -0.092 1 1 181 . 19 1 1 A 20 20 GLY C C 20 175.286 173.833 1.453 1 1 182 . 19 1 1 A 20 20 GLY CA C 20 44.131 46.460 -2.329 1 1 183 . 19 1 1 A 20 20 GLY N N 20 112.266 113.024 -0.758 1 1 184 . 19 1 1 A 21 21 TYR HA H 21 4.219 4.727 -0.508 1 1 191 . 19 1 1 A 21 21 TYR C C 21 176.309 175.013 1.296 1 1 192 . 19 1 1 A 21 21 TYR CA C 21 60.518 56.507 4.011 1 1 193 . 19 1 1 A 21 21 TYR CB C 21 37.826 38.816 -0.990 1 1 198 . 19 1 1 A 22 22 ALA H H 22 8.272 8.196 0.076 1 1 199 . 19 1 1 A 22 22 ALA HA H 22 4.404 3.850 0.554 1 1 203 . 19 1 1 A 22 22 ALA C C 22 177.312 176.270 1.042 1 1 204 . 19 1 1 A 22 22 ALA CA C 22 50.816 53.061 -2.245 1 1 205 . 19 1 1 A 22 22 ALA CB C 22 18.455 17.639 0.816 1 1 206 . 19 1 1 A 22 22 ALA N N 22 121.539 128.771 -7.232 1 1 207 . 19 1 1 A 23 23 GLY H H 23 7.495 7.862 -0.367 1 1 208 . 19 1 1 A 23 23 GLY HA2 H 23 4.541 4.097 0.444 1 1 209 . 19 1 1 A 23 23 GLY HA3 H 23 3.238 4.139 -0.901 1 1 210 . 19 1 1 A 23 23 GLY C C 23 175.043 173.898 1.145 1 1 211 . 19 1 1 A 23 23 GLY CA C 23 44.897 45.166 -0.269 1 1 212 . 19 1 1 A 23 23 GLY N N 23 106.744 104.684 2.060 1 1 213 . 19 1 1 A 24 24 PHE H H 24 7.242 8.680 -1.438 1 1 214 . 19 1 1 A 24 24 PHE HA H 24 4.369 4.518 -0.149 1 1 222 . 19 1 1 A 24 24 PHE C C 24 175.902 176.076 -0.174 1 1 223 . 19 1 1 A 24 24 PHE CA C 24 60.347 58.124 2.223 1 1 224 . 19 1 1 A 24 24 PHE CB C 24 39.575 39.739 -0.164 1 1 230 . 19 1 1 A 25 25 GLY H H 25 8.820 8.310 0.510 1 1 231 . 19 1 1 A 25 25 GLY HA2 H 25 4.134 4.036 0.098 1 1 232 . 19 1 1 A 25 25 GLY HA3 H 25 3.913 4.040 -0.127 1 1 233 . 19 1 1 A 25 25 GLY C C 25 174.585 174.441 0.144 1 1 234 . 19 1 1 A 25 25 GLY CA C 25 47.030 46.489 0.541 1 1 235 . 19 1 1 A 25 25 GLY N N 25 107.899 109.673 -1.774 1 1 236 . 19 1 1 A 26 26 LEU H H 26 7.991 7.838 0.153 1 1 237 . 19 1 1 A 26 26 LEU HA H 26 4.990 4.825 0.165 1 1 247 . 19 1 1 A 26 26 LEU C C 26 174.135 174.994 -0.859 1 1 248 . 19 1 1 A 26 26 LEU CA C 26 53.906 53.697 0.209 1 1 249 . 19 1 1 A 26 26 LEU CB C 26 45.939 43.969 1.970 1 1 253 . 19 1 1 A 26 26 LEU N N 26 122.133 122.776 -0.643 1 1 254 . 19 1 1 A 27 27 THR H H 27 8.657 8.840 -0.183 1 1 255 . 19 1 1 A 27 27 THR HA H 27 4.662 5.015 -0.353 1 1 260 . 19 1 1 A 27 27 THR C C 27 174.074 173.698 0.376 1 1 261 . 19 1 1 A 27 27 THR CA C 27 61.382 62.120 -0.738 1 1 262 . 19 1 1 A 27 27 THR CB C 27 70.010 70.510 -0.500 1 1 264 . 19 1 1 A 27 27 THR N N 27 121.262 123.347 -2.085 1 1 265 . 19 1 1 A 28 28 LEU H H 28 9.692 9.162 0.530 1 1 266 . 19 1 1 A 28 28 LEU HA H 28 5.297 4.996 0.301 1 1 276 . 19 1 1 A 28 28 LEU C C 28 175.414 176.337 -0.923 1 1 277 . 19 1 1 A 28 28 LEU CA C 28 53.219 53.898 -0.679 1 1 278 . 19 1 1 A 28 28 LEU CB C 28 45.049 43.487 1.562 1 1 282 . 19 1 1 A 28 28 LEU N N 28 128.374 127.963 0.411 1 1 283 . 19 1 1 A 29 29 GLY H H 29 8.818 8.448 0.370 1 1 284 . 19 1 1 A 29 29 GLY HA2 H 29 4.089 4.216 -0.127 1 1 285 . 19 1 1 A 29 29 GLY HA3 H 29 3.664 4.237 -0.573 1 1 286 . 19 1 1 A 29 29 GLY C C 29 171.700 173.721 -2.021 1 1 287 . 19 1 1 A 29 29 GLY CA C 29 44.086 44.711 -0.625 1 1 288 . 19 1 1 A 29 29 GLY N N 29 106.574 110.717 -4.143 1 1 289 . 19 1 1 A 30 30 GLY H H 30 8.339 8.293 0.046 1 1 290 . 19 1 1 A 30 30 GLY HA2 H 30 4.434 4.101 0.333 1 1 291 . 19 1 1 A 30 30 GLY HA3 H 30 3.554 4.122 -0.568 1 1 292 . 19 1 1 A 30 30 GLY C C 30 174.290 173.755 0.535 1 1 293 . 19 1 1 A 30 30 GLY CA C 30 44.879 44.419 0.460 1 1 294 . 19 1 1 A 30 30 GLY N N 30 107.245 111.519 -4.274 1 1 295 . 19 1 1 A 31 31 GLY H H 31 7.292 8.564 -1.272 1 1 296 . 19 1 1 A 31 31 GLY HA2 H 31 4.439 4.021 0.418 1 1 297 . 19 1 1 A 31 31 GLY HA3 H 31 4.000 4.059 -0.059 1 1 298 . 19 1 1 A 31 31 GLY C C 31 174.513 173.892 0.621 1 1 299 . 19 1 1 A 31 31 GLY CA C 31 43.589 45.272 -1.683 1 1 300 . 19 1 1 A 31 31 GLY N N 31 107.984 108.647 -0.663 1 1 301 . 19 1 1 A 32 32 ARG H H 32 8.065 8.343 -0.278 1 1 302 . 19 1 1 A 32 32 ARG HA H 32 4.380 4.360 0.020 1 1 309 . 19 1 1 A 32 32 ARG C C 32 176.139 175.213 0.926 1 1 310 . 19 1 1 A 32 32 ARG CA C 32 57.354 56.483 0.871 1 1 311 . 19 1 1 A 32 32 ARG CB C 32 30.080 31.005 -0.925 1 1 314 . 19 1 1 A 32 32 ARG N N 32 121.733 122.173 -0.440 1 1 315 . 19 1 1 A 33 33 ASP H H 33 8.916 8.652 0.264 1 1 316 . 19 1 1 A 33 33 ASP HA H 33 4.799 5.019 -0.220 1 1 319 . 19 1 1 A 33 33 ASP C C 33 176.381 176.422 -0.041 1 1 320 . 19 1 1 A 33 33 ASP CA C 33 53.783 52.916 0.867 1 1 321 . 19 1 1 A 33 33 ASP CB C 33 43.712 43.656 0.056 1 1 322 . 19 1 1 A 33 33 ASP N N 33 126.313 126.597 -0.284 1 1 323 . 19 1 1 A 34 34 VAL H H 34 8.372 8.926 -0.554 1 1 324 . 19 1 1 A 34 34 VAL HA H 34 3.943 3.708 0.235 1 1 329 . 19 1 1 A 34 34 VAL C C 34 176.591 177.349 -0.758 1 1 330 . 19 1 1 A 34 34 VAL CA C 34 64.644 65.772 -1.128 1 1 331 . 19 1 1 A 34 34 VAL CB C 34 31.796 32.059 -0.263 1 1 333 . 19 1 1 A 34 34 VAL N N 34 121.465 122.035 -0.570 1 1 334 . 19 1 1 A 35 35 ALA H H 35 8.577 7.758 0.819 1 1 335 . 19 1 1 A 35 35 ALA HA H 35 4.386 4.377 0.009 1 1 339 . 19 1 1 A 35 35 ALA C C 35 177.532 176.756 0.776 1 1 340 . 19 1 1 A 35 35 ALA CA C 35 52.589 51.625 0.964 1 1 341 . 19 1 1 A 35 35 ALA CB C 35 19.095 18.786 0.309 1 1 342 . 19 1 1 A 35 35 ALA N N 35 123.222 121.355 1.867 1 1 343 . 19 1 1 A 36 36 GLY H H 36 7.816 7.501 0.315 1 1 344 . 19 1 1 A 36 36 GLY HA2 H 36 4.274 4.040 0.234 1 1 345 . 19 1 1 A 36 36 GLY HA3 H 36 3.723 4.041 -0.318 1 1 346 . 19 1 1 A 36 36 GLY C C 36 172.610 172.729 -0.119 1 1 347 . 19 1 1 A 36 36 GLY CA C 36 45.161 44.065 1.096 1 1 348 . 19 1 1 A 36 36 GLY N N 36 107.925 106.560 1.365 1 1 349 . 19 1 1 A 37 37 ASP H H 37 8.604 8.532 0.072 1 1 350 . 19 1 1 A 37 37 ASP HA H 37 4.810 5.302 -0.492 1 1 353 . 19 1 1 A 37 37 ASP C C 37 176.081 175.606 0.475 1 1 354 . 19 1 1 A 37 37 ASP CA C 37 54.700 52.850 1.850 1 1 355 . 19 1 1 A 37 37 ASP CB C 37 41.076 41.735 -0.659 1 1 356 . 19 1 1 A 37 37 ASP N N 37 124.969 118.321 6.648 1 1 357 . 19 1 1 A 38 38 THR H H 38 7.679 8.612 -0.933 1 1 358 . 19 1 1 A 38 38 THR HA H 38 4.704 4.996 -0.292 1 1 363 . 19 1 1 A 38 38 THR C C 38 172.712 172.659 0.053 1 1 364 . 19 1 1 A 38 38 THR CA C 38 59.810 58.962 0.848 1 1 365 . 19 1 1 A 38 38 THR CB C 38 70.420 69.320 1.100 1 1 367 . 19 1 1 A 38 38 THR N N 38 116.498 115.759 0.739 1 1 368 . 19 1 1 A 39 39 PRO HA H 39 4.305 4.673 -0.368 1 1 375 . 19 1 1 A 39 39 PRO C C 39 176.355 176.962 -0.607 1 1 376 . 19 1 1 A 39 39 PRO CA C 39 63.304 62.689 0.615 1 1 377 . 19 1 1 A 39 39 PRO CB C 39 32.703 31.672 1.031 1 1 380 . 19 1 1 A 40 40 LEU H H 40 8.247 8.168 0.079 1 1 381 . 19 1 1 A 40 40 LEU HA H 40 4.704 4.327 0.377 1 1 391 . 19 1 1 A 40 40 LEU C C 40 176.631 177.384 -0.753 1 1 392 . 19 1 1 A 40 40 LEU CA C 40 55.352 55.352 0.000 1 1 393 . 19 1 1 A 40 40 LEU CB C 40 42.524 42.559 -0.035 1 1 397 . 19 1 1 A 40 40 LEU N N 40 125.558 124.057 1.501 1 1 398 . 19 1 1 A 41 41 ALA H H 41 8.856 8.747 0.109 1 1 399 . 19 1 1 A 41 41 ALA HA H 41 5.465 5.100 0.365 1 1 403 . 19 1 1 A 41 41 ALA C C 41 176.658 176.328 0.330 1 1 404 . 19 1 1 A 41 41 ALA CA C 41 50.503 51.518 -1.015 1 1 405 . 19 1 1 A 41 41 ALA CB C 41 24.074 22.846 1.228 1 1 406 . 19 1 1 A 41 41 ALA N N 41 128.426 125.587 2.839 1 1 407 . 19 1 1 A 42 42 VAL H H 42 9.160 8.403 0.757 1 1 408 . 19 1 1 A 42 42 VAL HA H 42 3.803 4.109 -0.306 1 1 416 . 19 1 1 A 42 42 VAL C C 42 176.499 175.728 0.771 1 1 417 . 19 1 1 A 42 42 VAL CA C 42 64.196 63.743 0.453 1 1 418 . 19 1 1 A 42 42 VAL CB C 42 31.773 32.006 -0.233 1 1 421 . 19 1 1 A 42 42 VAL N N 42 119.342 122.980 -3.638 1 1 422 . 19 1 1 A 43 43 ARG H H 43 9.385 9.317 0.068 1 1 423 . 19 1 1 A 43 43 ARG HA H 43 4.527 4.444 0.083 1 1 430 . 19 1 1 A 43 43 ARG C C 43 175.332 175.970 -0.638 1 1 431 . 19 1 1 A 43 43 ARG CA C 43 55.340 57.078 -1.738 1 1 432 . 19 1 1 A 43 43 ARG CB C 43 32.242 31.838 0.404 1 1 435 . 19 1 1 A 43 43 ARG N N 43 131.043 128.453 2.590 1 1 436 . 19 1 1 A 44 44 GLY H H 44 7.872 7.644 0.228 1 1 437 . 19 1 1 A 44 44 GLY HA2 H 44 4.155 4.217 -0.062 1 1 438 . 19 1 1 A 44 44 GLY HA3 H 44 3.765 4.220 -0.455 1 1 439 . 19 1 1 A 44 44 GLY C C 44 170.284 171.819 -1.535 1 1 440 . 19 1 1 A 44 44 GLY CA C 44 45.602 44.008 1.594 1 1 441 . 19 1 1 A 44 44 GLY N N 44 107.517 107.643 -0.126 1 1 442 . 19 1 1 A 45 45 LEU H H 45 8.455 9.536 -1.081 1 1 443 . 19 1 1 A 45 45 LEU HA H 45 4.915 4.894 0.021 1 1 453 . 19 1 1 A 45 45 LEU C C 45 175.215 176.745 -1.530 1 1 454 . 19 1 1 A 45 45 LEU CA C 45 52.795 53.795 -1.000 1 1 455 . 19 1 1 A 45 45 LEU CB C 45 44.824 43.462 1.362 1 1 459 . 19 1 1 A 45 45 LEU N N 45 121.812 124.220 -2.408 1 1 460 . 19 1 1 A 46 46 LEU H H 46 7.582 8.756 -1.174 1 1 461 . 19 1 1 A 46 46 LEU HA H 46 4.208 4.291 -0.083 1 1 471 . 19 1 1 A 46 46 LEU C C 46 177.935 176.404 1.531 1 1 472 . 19 1 1 A 46 46 LEU CA C 46 54.984 55.971 -0.987 1 1 473 . 19 1 1 A 46 46 LEU CB C 46 42.815 43.238 -0.423 1 1 477 . 19 1 1 A 46 46 LEU N N 46 124.670 128.660 -3.990 1 1 478 . 19 1 1 A 47 47 LYS H H 47 8.959 8.669 0.290 1 1 479 . 19 1 1 A 47 47 LYS HA H 47 3.875 4.001 -0.126 1 1 488 . 19 1 1 A 47 47 LYS C C 47 176.699 176.970 -0.271 1 1 489 . 19 1 1 A 47 47 LYS CA C 47 58.861 57.645 1.216 1 1 490 . 19 1 1 A 47 47 LYS CB C 47 32.076 32.551 -0.475 1 1 494 . 19 1 1 A 47 47 LYS N N 47 129.726 126.764 2.962 1 1 495 . 19 1 1 A 48 48 ASP H H 48 8.845 8.848 -0.003 1 1 496 . 19 1 1 A 48 48 ASP HA H 48 4.395 4.248 0.147 1 1 499 . 19 1 1 A 48 48 ASP C C 48 175.442 175.183 0.259 1 1 500 . 19 1 1 A 48 48 ASP CA C 48 56.632 55.132 1.500 1 1 501 . 19 1 1 A 48 48 ASP CB C 48 39.740 39.726 0.014 1 1 502 . 19 1 1 A 48 48 ASP N N 48 119.883 126.013 -6.130 1 1 503 . 19 1 1 A 49 49 GLY H H 49 7.947 8.012 -0.065 1 1 504 . 19 1 1 A 49 49 GLY HA2 H 49 4.578 4.154 0.424 1 1 505 . 19 1 1 A 49 49 GLY HA3 H 49 3.748 4.166 -0.418 1 1 506 . 19 1 1 A 49 49 GLY C C 49 172.008 174.786 -2.778 1 1 507 . 19 1 1 A 49 49 GLY CA C 49 45.000 43.748 1.252 1 1 508 . 19 1 1 A 49 49 GLY N N 49 106.565 107.652 -1.087 1 1 509 . 19 1 1 A 50 50 PRO HA H 50 4.268 4.372 -0.104 1 1 516 . 19 1 1 A 50 50 PRO C C 50 179.273 178.646 0.627 1 1 517 . 19 1 1 A 50 50 PRO CA C 50 65.791 65.128 0.663 1 1 518 . 19 1 1 A 50 50 PRO CB C 50 32.532 32.058 0.474 1 1 521 . 19 1 1 A 51 51 ALA H H 51 7.805 8.210 -0.405 1 1 522 . 19 1 1 A 51 51 ALA HA H 51 4.167 4.152 0.015 1 1 526 . 19 1 1 A 51 51 ALA C C 51 178.947 179.383 -0.436 1 1 527 . 19 1 1 A 51 51 ALA CA C 51 55.079 55.307 -0.228 1 1 528 . 19 1 1 A 51 51 ALA CB C 51 18.988 18.870 0.118 1 1 529 . 19 1 1 A 51 51 ALA N N 51 119.037 119.536 -0.499 1 1 530 . 19 1 1 A 52 52 GLN H H 52 9.614 8.093 1.521 1 1 531 . 19 1 1 A 52 52 GLN HA H 52 3.969 4.004 -0.035 1 1 538 . 19 1 1 A 52 52 GLN C C 52 178.509 178.042 0.467 1 1 539 . 19 1 1 A 52 52 GLN CA C 52 59.529 59.181 0.348 1 1 540 . 19 1 1 A 52 52 GLN CB C 52 29.107 28.647 0.460 1 1 542 . 19 1 1 A 52 52 GLN N N 52 122.017 118.163 3.854 1 1 544 . 19 1 1 A 53 53 ARG H H 53 8.524 7.777 0.747 1 1 545 . 19 1 1 A 53 53 ARG HA H 53 3.996 4.151 -0.155 1 1 552 . 19 1 1 A 53 53 ARG C C 53 178.479 179.124 -0.645 1 1 553 . 19 1 1 A 53 53 ARG CA C 53 58.825 59.104 -0.279 1 1 554 . 19 1 1 A 53 53 ARG CB C 53 30.546 29.589 0.957 1 1 557 . 19 1 1 A 53 53 ARG N N 53 116.703 118.630 -1.927 1 1 558 . 19 1 1 A 54 54 CYS H H 54 7.589 7.758 -0.169 1 1 559 . 19 1 1 A 54 54 CYS HA H 54 4.641 4.373 0.268 1 1 562 . 19 1 1 A 54 54 CYS C C 54 175.840 175.047 0.793 1 1 563 . 19 1 1 A 54 54 CYS CA C 54 59.724 59.957 -0.233 1 1 564 . 19 1 1 A 54 54 CYS CB C 54 27.419 28.271 -0.852 1 1 565 . 19 1 1 A 54 54 CYS N N 54 113.424 116.986 -3.562 1 1 566 . 19 1 1 A 55 55 GLY H H 55 7.436 7.693 -0.257 1 1 567 . 19 1 1 A 55 55 GLY HA2 H 55 4.082 3.955 0.127 1 1 568 . 19 1 1 A 55 55 GLY HA3 H 55 4.082 3.967 0.115 1 1 569 . 19 1 1 A 55 55 GLY C C 55 174.435 175.926 -1.491 1 1 570 . 19 1 1 A 55 55 GLY CA C 55 46.977 45.396 1.581 1 1 571 . 19 1 1 A 55 55 GLY N N 55 109.572 108.641 0.931 1 1 572 . 19 1 1 A 56 56 ARG H H 56 7.860 8.111 -0.251 1 1 573 . 19 1 1 A 56 56 ARG HA H 56 4.472 3.979 0.493 1 1 580 . 19 1 1 A 56 56 ARG C C 56 174.959 176.979 -2.020 1 1 581 . 19 1 1 A 56 56 ARG CA C 56 55.687 58.787 -3.100 1 1 582 . 19 1 1 A 56 56 ARG CB C 56 32.785 30.255 2.530 1 1 585 . 19 1 1 A 56 56 ARG N N 56 118.137 120.554 -2.417 1 1 586 . 19 1 1 A 57 57 LEU H H 57 8.219 8.088 0.131 1 1 587 . 19 1 1 A 57 57 LEU HA H 57 4.926 4.744 0.182 1 1 597 . 19 1 1 A 57 57 LEU C C 57 175.333 175.945 -0.612 1 1 598 . 19 1 1 A 57 57 LEU CA C 57 53.043 53.747 -0.704 1 1 599 . 19 1 1 A 57 57 LEU CB C 57 46.459 43.483 2.976 1 1 603 . 19 1 1 A 57 57 LEU N N 57 117.496 119.677 -2.181 1 1 604 . 19 1 1 A 58 58 GLU H H 58 9.053 8.918 0.135 1 1 605 . 19 1 1 A 58 58 GLU HA H 58 4.460 4.931 -0.471 1 1 610 . 19 1 1 A 58 58 GLU C C 58 175.683 176.244 -0.561 1 1 611 . 19 1 1 A 58 58 GLU CA C 58 54.144 54.148 -0.004 1 1 612 . 19 1 1 A 58 58 GLU CB C 58 33.286 33.834 -0.548 1 1 614 . 19 1 1 A 58 58 GLU N N 58 121.883 123.417 -1.534 1 1 615 . 19 1 1 A 59 59 VAL H H 59 8.727 8.579 0.148 1 1 616 . 19 1 1 A 59 59 VAL HA H 59 3.213 3.561 -0.348 1 1 624 . 19 1 1 A 59 59 VAL C C 59 177.728 176.993 0.735 1 1 625 . 19 1 1 A 59 59 VAL CA C 59 65.823 65.287 0.536 1 1 626 . 19 1 1 A 59 59 VAL CB C 59 31.151 31.293 -0.142 1 1 629 . 19 1 1 A 59 59 VAL N N 59 121.698 122.469 -0.771 1 1 630 . 19 1 1 A 60 60 GLY H H 60 9.172 8.606 0.566 1 1 631 . 19 1 1 A 60 60 GLY HA2 H 60 4.500 3.997 0.503 1 1 632 . 19 1 1 A 60 60 GLY HA3 H 60 3.469 4.001 -0.532 1 1 633 . 19 1 1 A 60 60 GLY C C 60 173.646 174.096 -0.450 1 1 634 . 19 1 1 A 60 60 GLY CA C 60 44.148 45.060 -0.912 1 1 635 . 19 1 1 A 60 60 GLY N N 60 117.734 115.337 2.397 1 1 636 . 19 1 1 A 61 61 ASP H H 61 7.877 7.972 -0.095 1 1 637 . 19 1 1 A 61 61 ASP HA H 61 4.551 4.605 -0.054 1 1 640 . 19 1 1 A 61 61 ASP C C 61 175.437 175.094 0.343 1 1 641 . 19 1 1 A 61 61 ASP CA C 61 56.057 55.430 0.627 1 1 642 . 19 1 1 A 61 61 ASP CB C 61 40.660 41.762 -1.102 1 1 643 . 19 1 1 A 61 61 ASP N N 61 121.399 121.849 -0.450 1 1 644 . 19 1 1 A 62 62 LEU H H 62 8.773 8.550 0.223 1 1 645 . 19 1 1 A 62 62 LEU HA H 62 4.713 5.002 -0.289 1 1 655 . 19 1 1 A 62 62 LEU C C 62 176.560 175.654 0.906 1 1 656 . 19 1 1 A 62 62 LEU CA C 62 54.259 53.330 0.929 1 1 657 . 19 1 1 A 62 62 LEU CB C 62 42.022 43.655 -1.633 1 1 661 . 19 1 1 A 62 62 LEU N N 62 120.566 122.785 -2.219 1 1 662 . 19 1 1 A 63 63 VAL H H 63 8.121 8.826 -0.705 1 1 663 . 19 1 1 A 63 63 VAL HA H 63 4.113 4.183 -0.070 1 1 671 . 19 1 1 A 63 63 VAL C C 63 175.468 175.437 0.031 1 1 672 . 19 1 1 A 63 63 VAL CA C 63 61.763 62.210 -0.447 1 1 673 . 19 1 1 A 63 63 VAL CB C 63 31.413 32.219 -0.806 1 1 676 . 19 1 1 A 63 63 VAL N N 63 121.172 123.817 -2.645 1 1 677 . 19 1 1 A 64 64 LEU H H 64 9.077 8.738 0.339 1 1 678 . 19 1 1 A 64 64 LEU HA H 64 4.113 4.175 -0.062 1 1 688 . 19 1 1 A 64 64 LEU C C 64 177.611 176.054 1.557 1 1 689 . 19 1 1 A 64 64 LEU CA C 64 56.614 55.104 1.510 1 1 690 . 19 1 1 A 64 64 LEU CB C 64 42.994 42.559 0.435 1 1 694 . 19 1 1 A 64 64 LEU N N 64 130.175 127.614 2.561 1 1 695 . 19 1 1 A 65 65 HIS H H 65 7.510 7.159 0.351 1 1 696 . 19 1 1 A 65 65 HIS HA H 65 5.297 5.158 0.139 1 1 701 . 19 1 1 A 65 65 HIS C C 65 174.833 173.642 1.191 1 1 702 . 19 1 1 A 65 65 HIS CA C 65 55.715 54.498 1.217 1 1 703 . 19 1 1 A 65 65 HIS CB C 65 35.813 34.341 1.472 1 1 706 . 19 1 1 A 65 65 HIS N N 65 115.096 114.912 0.184 1 1 707 . 19 1 1 A 66 66 ILE H H 66 8.675 8.326 0.349 1 1 708 . 19 1 1 A 66 66 ILE HA H 66 4.320 4.379 -0.059 1 1 718 . 19 1 1 A 66 66 ILE C C 66 175.571 175.898 -0.327 1 1 719 . 19 1 1 A 66 66 ILE CA C 66 60.510 60.148 0.362 1 1 720 . 19 1 1 A 66 66 ILE CB C 66 41.360 40.670 0.690 1 1 724 . 19 1 1 A 66 66 ILE N N 66 119.474 119.482 -0.008 1 1 725 . 19 1 1 A 67 67 ASN H H 67 10.170 9.555 0.615 1 1 726 . 19 1 1 A 67 67 ASN HA H 67 4.595 4.608 -0.013 1 1 731 . 19 1 1 A 67 67 ASN C C 67 175.349 175.661 -0.312 1 1 732 . 19 1 1 A 67 67 ASN CA C 67 54.589 54.717 -0.128 1 1 733 . 19 1 1 A 67 67 ASN CB C 67 37.267 37.292 -0.025 1 1 734 . 19 1 1 A 67 67 ASN N N 67 129.216 127.375 1.841 1 1 736 . 19 1 1 A 68 68 GLY H H 68 9.396 8.790 0.606 1 1 737 . 19 1 1 A 68 68 GLY HA2 H 68 4.155 3.855 0.300 1 1 738 . 19 1 1 A 68 68 GLY HA3 H 68 3.585 3.867 -0.282 1 1 739 . 19 1 1 A 68 68 GLY C C 68 173.920 173.857 0.063 1 1 740 . 19 1 1 A 68 68 GLY CA C 68 45.267 45.662 -0.395 1 1 741 . 19 1 1 A 68 68 GLY N N 68 104.067 103.855 0.212 1 1 742 . 19 1 1 A 69 69 GLU H H 69 7.815 8.072 -0.257 1 1 743 . 19 1 1 A 69 69 GLU HA H 69 4.619 4.687 -0.068 1 1 748 . 19 1 1 A 69 69 GLU C C 69 175.696 175.810 -0.114 1 1 749 . 19 1 1 A 69 69 GLU CA C 69 54.803 54.785 0.018 1 1 750 . 19 1 1 A 69 69 GLU CB C 69 32.281 31.397 0.884 1 1 752 . 19 1 1 A 69 69 GLU N N 69 121.337 120.115 1.222 1 1 753 . 19 1 1 A 70 70 SER H H 70 8.867 8.873 -0.006 1 1 754 . 19 1 1 A 70 70 SER HA H 70 4.411 4.950 -0.539 1 1 757 . 19 1 1 A 70 70 SER C C 70 176.409 174.724 1.685 1 1 758 . 19 1 1 A 70 70 SER CA C 70 58.034 58.437 -0.403 1 1 759 . 19 1 1 A 70 70 SER CB C 70 63.432 63.571 -0.139 1 1 760 . 19 1 1 A 70 70 SER N N 70 119.566 120.000 -0.434 1 1 761 . 19 1 1 A 71 71 THR H H 71 7.914 8.982 -1.068 1 1 762 . 19 1 1 A 71 71 THR HA H 71 4.162 4.318 -0.156 1 1 767 . 19 1 1 A 71 71 THR C C 71 175.433 175.572 -0.139 1 1 768 . 19 1 1 A 71 71 THR CA C 71 60.921 63.664 -2.743 1 1 769 . 19 1 1 A 71 71 THR CB C 71 68.671 68.841 -0.170 1 1 771 . 19 1 1 A 71 71 THR N N 71 114.514 121.293 -6.779 1 1 772 . 19 1 1 A 72 72 GLN H H 72 8.131 8.831 -0.700 1 1 773 . 19 1 1 A 72 72 GLN HA H 72 4.020 4.112 -0.092 1 1 780 . 19 1 1 A 72 72 GLN C C 72 176.950 176.576 0.374 1 1 781 . 19 1 1 A 72 72 GLN CA C 72 58.361 57.772 0.589 1 1 782 . 19 1 1 A 72 72 GLN CB C 72 28.079 28.381 -0.302 1 1 784 . 19 1 1 A 72 72 GLN N N 72 124.809 119.365 5.444 1 1 786 . 19 1 1 A 73 73 GLY H H 73 9.025 7.909 1.116 1 1 787 . 19 1 1 A 73 73 GLY HA2 H 73 4.092 4.117 -0.025 1 1 788 . 19 1 1 A 73 73 GLY HA3 H 73 3.754 4.119 -0.365 1 1 789 . 19 1 1 A 73 73 GLY C C 73 173.971 173.319 0.652 1 1 790 . 19 1 1 A 73 73 GLY CA C 73 45.373 45.523 -0.150 1 1 791 . 19 1 1 A 73 73 GLY N N 73 114.015 106.418 7.597 1 1 792 . 19 1 1 A 74 74 LEU H H 74 7.672 7.315 0.357 1 1 793 . 19 1 1 A 74 74 LEU HA H 74 4.768 4.648 0.120 1 1 803 . 19 1 1 A 74 74 LEU C C 74 179.964 177.019 2.945 1 1 804 . 19 1 1 A 74 74 LEU CA C 74 54.682 53.954 0.728 1 1 805 . 19 1 1 A 74 74 LEU CB C 74 42.355 43.175 -0.820 1 1 809 . 19 1 1 A 74 74 LEU N N 74 118.933 120.935 -2.002 1 1 810 . 19 1 1 A 75 75 THR H H 75 8.911 8.913 -0.002 1 1 811 . 19 1 1 A 75 75 THR HA H 75 4.799 4.594 0.205 1 1 816 . 19 1 1 A 75 75 THR C C 75 174.971 175.189 -0.218 1 1 817 . 19 1 1 A 75 75 THR CA C 75 60.571 60.901 -0.330 1 1 818 . 19 1 1 A 75 75 THR CB C 75 71.058 71.093 -0.035 1 1 820 . 19 1 1 A 75 75 THR N N 75 113.687 117.843 -4.156 1 1 821 . 19 1 1 A 76 76 HIS H H 76 9.474 9.135 0.339 1 1 822 . 19 1 1 A 76 76 HIS HA H 76 3.997 4.127 -0.130 1 1 826 . 19 1 1 A 76 76 HIS C C 76 176.917 176.916 0.001 1 1 827 . 19 1 1 A 76 76 HIS CA C 76 61.208 60.875 0.333 1 1 828 . 19 1 1 A 76 76 HIS CB C 76 29.729 30.289 -0.560 1 1 830 . 19 1 1 A 76 76 HIS N N 76 122.022 121.872 0.150 1 1 831 . 19 1 1 A 77 77 ALA H H 77 8.457 8.278 0.179 1 1 832 . 19 1 1 A 77 77 ALA HA H 77 3.946 3.867 0.079 1 1 836 . 19 1 1 A 77 77 ALA C C 77 181.502 179.877 1.625 1 1 837 . 19 1 1 A 77 77 ALA CA C 77 55.282 55.312 -0.030 1 1 838 . 19 1 1 A 77 77 ALA CB C 77 18.162 18.155 0.007 1 1 839 . 19 1 1 A 77 77 ALA N N 77 119.389 121.257 -1.868 1 1 840 . 19 1 1 A 78 78 GLN H H 78 7.991 8.185 -0.194 1 1 841 . 19 1 1 A 78 78 GLN HA H 78 4.029 4.054 -0.025 1 1 848 . 19 1 1 A 78 78 GLN C C 78 179.215 178.174 1.041 1 1 849 . 19 1 1 A 78 78 GLN CA C 78 58.562 58.793 -0.231 1 1 850 . 19 1 1 A 78 78 GLN CB C 78 29.592 28.410 1.182 1 1 852 . 19 1 1 A 78 78 GLN N N 78 117.510 117.748 -0.238 1 1 854 . 19 1 1 A 79 79 ALA H H 79 8.367 8.012 0.355 1 1 855 . 19 1 1 A 79 79 ALA HA H 79 3.775 4.037 -0.262 1 1 859 . 19 1 1 A 79 79 ALA C C 79 178.754 179.582 -0.828 1 1 860 . 19 1 1 A 79 79 ALA CA C 79 55.828 55.007 0.821 1 1 861 . 19 1 1 A 79 79 ALA CB C 79 18.733 18.353 0.380 1 1 862 . 19 1 1 A 79 79 ALA N N 79 123.463 122.565 0.898 1 1 863 . 19 1 1 A 80 80 VAL H H 80 8.228 7.934 0.294 1 1 864 . 19 1 1 A 80 80 VAL HA H 80 3.510 3.344 0.166 1 1 872 . 19 1 1 A 80 80 VAL C C 80 179.087 177.977 1.110 1 1 873 . 19 1 1 A 80 80 VAL CA C 80 66.912 66.915 -0.003 1 1 874 . 19 1 1 A 80 80 VAL CB C 80 31.781 31.265 0.516 1 1 877 . 19 1 1 A 80 80 VAL N N 80 116.720 118.216 -1.496 1 1 878 . 19 1 1 A 81 81 GLU H H 81 7.834 8.428 -0.594 1 1 879 . 19 1 1 A 81 81 GLU HA H 81 4.195 3.950 0.245 1 1 884 . 19 1 1 A 81 81 GLU C C 81 178.847 179.265 -0.418 1 1 885 . 19 1 1 A 81 81 GLU CA C 81 59.100 59.772 -0.672 1 1 886 . 19 1 1 A 81 81 GLU CB C 81 28.818 29.072 -0.254 1 1 888 . 19 1 1 A 81 81 GLU N N 81 121.198 119.949 1.249 1 1 889 . 19 1 1 A 82 82 ARG H H 82 8.004 7.501 0.503 1 1 890 . 19 1 1 A 82 82 ARG HA H 82 4.021 4.078 -0.057 1 1 897 . 19 1 1 A 82 82 ARG C C 82 179.863 178.708 1.155 1 1 898 . 19 1 1 A 82 82 ARG CA C 82 58.487 58.911 -0.424 1 1 899 . 19 1 1 A 82 82 ARG CB C 82 29.026 29.983 -0.957 1 1 902 . 19 1 1 A 82 82 ARG N N 82 119.267 118.803 0.464 1 1 903 . 19 1 1 A 83 83 ILE H H 83 7.875 7.806 0.069 1 1 904 . 19 1 1 A 83 83 ILE HA H 83 3.467 3.696 -0.229 1 1 914 . 19 1 1 A 83 83 ILE C C 83 179.211 178.410 0.801 1 1 915 . 19 1 1 A 83 83 ILE CA C 83 65.491 65.062 0.429 1 1 916 . 19 1 1 A 83 83 ILE CB C 83 38.055 37.561 0.494 1 1 920 . 19 1 1 A 83 83 ILE N N 83 120.039 121.032 -0.993 1 1 921 . 19 1 1 A 84 84 ARG H H 84 8.207 8.541 -0.334 1 1 922 . 19 1 1 A 84 84 ARG HA H 84 4.125 4.209 -0.084 1 1 929 . 19 1 1 A 84 84 ARG C C 84 179.062 177.265 1.797 1 1 930 . 19 1 1 A 84 84 ARG CA C 84 59.643 58.223 1.420 1 1 931 . 19 1 1 A 84 84 ARG CB C 84 30.197 29.473 0.724 1 1 934 . 19 1 1 A 84 84 ARG N N 84 121.315 120.685 0.630 1 1 935 . 19 1 1 A 85 85 ALA H H 85 8.366 7.704 0.662 1 1 936 . 19 1 1 A 85 85 ALA HA H 85 4.241 4.430 -0.189 1 1 940 . 19 1 1 A 85 85 ALA C C 85 179.042 178.836 0.206 1 1 941 . 19 1 1 A 85 85 ALA CA C 85 53.695 52.328 1.367 1 1 942 . 19 1 1 A 85 85 ALA CB C 85 18.806 19.397 -0.591 1 1 943 . 19 1 1 A 85 85 ALA N N 85 120.166 120.723 -0.557 1 1 944 . 19 1 1 A 86 86 GLY H H 86 7.470 8.096 -0.626 1 1 945 . 19 1 1 A 86 86 GLY HA2 H 86 4.134 3.923 0.211 1 1 946 . 19 1 1 A 86 86 GLY HA3 H 86 4.134 3.932 0.202 1 1 947 . 19 1 1 A 86 86 GLY C C 86 174.699 174.495 0.204 1 1 948 . 19 1 1 A 86 86 GLY CA C 86 45.902 45.872 0.030 1 1 949 . 19 1 1 A 86 86 GLY N N 86 104.067 107.312 -3.245 1 1 950 . 19 1 1 A 87 87 GLY H H 87 7.688 7.938 -0.250 1 1 951 . 19 1 1 A 87 87 GLY HA2 H 87 4.528 4.102 0.426 1 1 952 . 19 1 1 A 87 87 GLY HA3 H 87 3.835 4.102 -0.267 1 1 953 . 19 1 1 A 87 87 GLY C C 87 173.611 173.980 -0.369 1 1 954 . 19 1 1 A 87 87 GLY CA C 87 44.677 44.597 0.080 1 1 955 . 19 1 1 A 87 87 GLY N N 87 107.458 106.063 1.395 1 1 956 . 19 1 1 A 88 88 PRO HA H 88 4.306 4.564 -0.258 1 1 963 . 19 1 1 A 88 88 PRO C C 88 175.247 176.402 -1.155 1 1 964 . 19 1 1 A 88 88 PRO CA C 88 64.596 64.018 0.578 1 1 965 . 19 1 1 A 88 88 PRO CB C 88 32.405 31.903 0.502 1 1 968 . 19 1 1 A 89 89 GLN H H 89 7.606 8.066 -0.460 1 1 969 . 19 1 1 A 89 89 GLN HA H 89 5.343 5.003 0.340 1 1 976 . 19 1 1 A 89 89 GLN C C 89 173.750 174.233 -0.483 1 1 977 . 19 1 1 A 89 89 GLN CA C 89 54.626 54.603 0.023 1 1 978 . 19 1 1 A 89 89 GLN CB C 89 31.870 31.209 0.661 1 1 980 . 19 1 1 A 89 89 GLN N N 89 116.964 119.701 -2.737 1 1 982 . 19 1 1 A 90 90 LEU H H 90 8.610 8.377 0.233 1 1 983 . 19 1 1 A 90 90 LEU HA H 90 4.757 4.802 -0.045 1 1 993 . 19 1 1 A 90 90 LEU C C 90 173.607 175.295 -1.688 1 1 994 . 19 1 1 A 90 90 LEU CA C 90 53.730 53.714 0.016 1 1 995 . 19 1 1 A 90 90 LEU CB C 90 45.549 43.838 1.711 1 1 999 . 19 1 1 A 90 90 LEU N N 90 124.460 126.977 -2.517 1 1 1000 . 19 1 1 A 91 91 HIS H H 91 8.826 8.812 0.014 1 1 1001 . 19 1 1 A 91 91 HIS HA H 91 5.207 5.675 -0.468 1 1 1006 . 19 1 1 A 91 91 HIS C C 91 174.745 173.233 1.512 1 1 1007 . 19 1 1 A 91 91 HIS CA C 91 55.093 53.732 1.361 1 1 1008 . 19 1 1 A 91 91 HIS CB C 91 32.686 32.926 -0.240 1 1 1011 . 19 1 1 A 91 91 HIS N N 91 126.871 126.673 0.198 1 1 1012 . 19 1 1 A 92 92 LEU H H 92 9.024 8.331 0.693 1 1 1013 . 19 1 1 A 92 92 LEU HA H 92 5.203 4.755 0.448 1 1 1023 . 19 1 1 A 92 92 LEU C C 92 175.889 175.444 0.445 1 1 1024 . 19 1 1 A 92 92 LEU CA C 92 52.955 53.274 -0.319 1 1 1025 . 19 1 1 A 92 92 LEU CB C 92 46.233 45.706 0.527 1 1 1029 . 19 1 1 A 92 92 LEU N N 92 125.837 128.248 -2.411 1 1 1030 . 19 1 1 A 93 93 VAL H H 93 7.739 9.117 -1.378 1 1 1031 . 19 1 1 A 93 93 VAL HA H 93 4.568 4.450 0.118 1 1 1039 . 19 1 1 A 93 93 VAL C C 93 174.538 174.857 -0.319 1 1 1040 . 19 1 1 A 93 93 VAL CA C 93 62.666 61.784 0.882 1 1 1041 . 19 1 1 A 93 93 VAL CB C 93 32.838 31.624 1.214 1 1 1044 . 19 1 1 A 93 93 VAL N N 93 120.566 125.138 -4.572 1 1 1045 . 19 1 1 A 94 94 ILE H H 94 8.965 8.509 0.456 1 1 1046 . 19 1 1 A 94 94 ILE HA H 94 5.152 4.903 0.249 1 1 1056 . 19 1 1 A 94 94 ILE C C 94 174.723 174.455 0.268 1 1 1057 . 19 1 1 A 94 94 ILE CA C 94 56.360 59.111 -2.751 1 1 1058 . 19 1 1 A 94 94 ILE CB C 94 39.214 40.423 -1.209 1 1 1062 . 19 1 1 A 94 94 ILE N N 94 128.952 128.159 0.793 1 1 1063 . 19 1 1 A 95 95 ARG H H 95 8.286 8.392 -0.106 1 1 1064 . 19 1 1 A 95 95 ARG HA H 95 4.715 4.895 -0.180 1 1 1071 . 19 1 1 A 95 95 ARG C C 95 173.665 175.144 -1.479 1 1 1072 . 19 1 1 A 95 95 ARG CA C 95 54.982 54.838 0.144 1 1 1073 . 19 1 1 A 95 95 ARG CB C 95 34.833 33.524 1.309 1 1 1076 . 19 1 1 A 95 95 ARG N N 95 120.920 125.890 -4.970 1 1 1077 . 19 1 1 A 96 96 ARG H H 96 9.238 8.730 0.508 1 1 1078 . 19 1 1 A 96 96 ARG HA H 96 4.984 4.461 0.523 1 1 1086 . 19 1 1 A 96 96 ARG C C 96 174.582 174.637 -0.055 1 1 1087 . 19 1 1 A 96 96 ARG CA C 96 53.219 54.582 -1.363 1 1 1088 . 19 1 1 A 96 96 ARG CB C 96 31.369 30.301 1.068 1 1 1091 . 19 1 1 A 96 96 ARG N N 96 129.955 127.492 2.463 1 1 1093 . 19 1 1 A 97 97 PRO HA H 97 4.424 4.694 -0.270 1 1 1100 . 19 1 1 A 97 97 PRO C C 97 176.289 176.594 -0.305 1 1 1101 . 19 1 1 A 97 97 PRO CA C 97 63.322 62.319 1.003 1 1 1102 . 19 1 1 A 97 97 PRO CB C 97 32.240 33.369 -1.129 1 1 1105 . 19 1 1 A 98 98 LEU H H 98 8.325 8.693 -0.368 1 1 1106 . 19 1 1 A 98 98 LEU HA H 98 4.399 4.442 -0.043 1 1 1116 . 19 1 1 A 98 98 LEU C C 98 177.395 178.013 -0.618 1 1 1117 . 19 1 1 A 98 98 LEU CA C 98 55.165 56.981 -1.816 1 1 1118 . 19 1 1 A 98 98 LEU CB C 98 42.419 43.359 -0.940 1 1 1122 . 19 1 1 A 98 98 LEU N N 98 122.396 121.857 0.539 1 1 1123 . 19 1 1 A 99 99 SER H H 99 8.333 7.813 0.520 1 1 1124 . 19 1 1 A 99 99 SER HA H 99 4.483 4.413 0.070 1 1 1127 . 19 1 1 A 99 99 SER C C 99 174.489 174.707 -0.218 1 1 1128 . 19 1 1 A 99 99 SER CA C 99 58.138 59.896 -1.758 1 1 1129 . 19 1 1 A 99 99 SER CB C 99 63.846 64.032 -0.186 1 1 1130 . 19 1 1 A 99 99 SER N N 99 116.892 112.579 4.313 1 1 1131 . 19 1 1 A 100 100 GLY H H 100 8.253 8.098 0.155 1 1 1132 . 19 1 1 A 100 100 GLY HA2 H 100 4.177 3.940 0.237 1 1 1133 . 19 1 1 A 100 100 GLY HA3 H 100 4.101 3.941 0.160 1 1 1134 . 19 1 1 A 100 100 GLY C C 100 171.838 174.480 -2.642 1 1 1135 . 19 1 1 A 100 100 GLY CA C 100 44.679 46.053 -1.374 1 1 1136 . 19 1 1 A 100 100 GLY N N 100 110.703 108.138 2.565 1 1 1137 . 19 1 1 A 101 101 PRO HA H 101 4.480 4.702 -0.222 1 1 1144 . 19 1 1 A 101 101 PRO C C 101 177.411 175.305 2.106 1 1 1145 . 19 1 1 A 101 101 PRO CA C 101 63.312 62.597 0.715 1 1 1146 . 19 1 1 A 101 101 PRO CB C 101 32.158 33.305 -1.147 1 1 1149 . 19 1 1 A 102 102 SER H H 102 8.517 8.698 -0.181 1 1 1150 . 19 1 1 A 102 102 SER C C 102 174.655 173.402 1.253 1 1 1151 . 19 1 1 A 102 102 SER CA C 102 58.438 56.814 1.624 1 1 1152 . 19 1 1 A 102 102 SER CB C 102 63.970 65.013 -1.043 1 1 1 . 20 1 1 A 2 2 SER HA H 2 4.493 4.880 -0.387 1 1 4 . 20 1 1 A 2 2 SER C C 2 174.671 173.534 1.137 1 1 5 . 20 1 1 A 2 2 SER CA C 2 58.438 57.568 0.870 1 1 6 . 20 1 1 A 2 2 SER CB C 2 63.558 65.531 -1.973 1 1 7 . 20 1 1 A 3 3 SER H H 3 8.324 8.502 -0.178 1 1 8 . 20 1 1 A 3 3 SER HA H 3 4.493 5.077 -0.584 1 1 11 . 20 1 1 A 3 3 SER C C 3 173.918 174.710 -0.792 1 1 12 . 20 1 1 A 3 3 SER CA C 3 58.455 56.946 1.509 1 1 13 . 20 1 1 A 3 3 SER CB C 3 63.929 64.536 -0.607 1 1 14 . 20 1 1 A 3 3 SER N N 3 117.862 115.903 1.959 1 1 15 . 20 1 1 A 4 4 GLY H H 4 8.045 8.693 -0.648 1 1 16 . 20 1 1 A 4 4 GLY C C 4 179.001 173.850 5.151 1 1 17 . 20 1 1 A 4 4 GLY CA C 4 46.201 44.661 1.540 1 1 18 . 20 1 1 A 4 4 GLY N N 4 116.862 112.861 4.001 1 1 19 . 20 1 1 A 6 6 SER HA H 6 4.461 5.091 -0.630 1 1 22 . 20 1 1 A 6 6 SER C C 6 175.170 173.492 1.678 1 1 23 . 20 1 1 A 6 6 SER CA C 6 58.755 56.420 2.335 1 1 24 . 20 1 1 A 6 6 SER CB C 6 63.862 66.304 -2.442 1 1 25 . 20 1 1 A 7 7 GLY H H 7 8.432 8.492 -0.060 1 1 26 . 20 1 1 A 7 7 GLY HA2 H 7 3.966 4.105 -0.139 1 1 27 . 20 1 1 A 7 7 GLY C C 7 174.309 172.959 1.350 1 1 28 . 20 1 1 A 7 7 GLY CA C 7 45.408 44.721 0.687 1 1 29 . 20 1 1 A 7 7 GLY N N 7 110.678 112.328 -1.650 1 1 30 . 20 1 1 A 8 8 GLN H H 8 8.210 8.725 -0.515 1 1 31 . 20 1 1 A 8 8 GLN HA H 8 4.324 4.789 -0.465 1 1 38 . 20 1 1 A 8 8 GLN C C 8 176.037 175.763 0.274 1 1 39 . 20 1 1 A 8 8 GLN CA C 8 55.970 53.644 2.326 1 1 40 . 20 1 1 A 8 8 GLN CB C 8 29.562 31.872 -2.310 1 1 42 . 20 1 1 A 8 8 GLN N N 8 119.977 121.762 -1.785 1 1 44 . 20 1 1 A 9 9 ALA H H 9 8.394 8.530 -0.136 1 1 45 . 20 1 1 A 9 9 ALA HA H 9 4.319 4.144 0.175 1 1 49 . 20 1 1 A 9 9 ALA C C 9 177.635 178.790 -1.155 1 1 50 . 20 1 1 A 9 9 ALA CA C 9 52.531 54.510 -1.979 1 1 51 . 20 1 1 A 9 9 ALA CB C 9 19.136 19.428 -0.292 1 1 52 . 20 1 1 A 9 9 ALA N N 9 125.301 124.704 0.597 1 1 53 . 20 1 1 A 10 10 SER H H 10 8.259 8.006 0.253 1 1 54 . 20 1 1 A 10 10 SER HA H 10 4.440 4.300 0.140 1 1 57 . 20 1 1 A 10 10 SER C C 10 175.138 175.822 -0.684 1 1 58 . 20 1 1 A 10 10 SER CA C 10 58.649 61.122 -2.473 1 1 59 . 20 1 1 A 10 10 SER CB C 10 63.888 62.766 1.122 1 1 60 . 20 1 1 A 10 10 SER N N 10 114.874 113.109 1.765 1 1 61 . 20 1 1 A 11 11 GLY H H 11 8.493 7.907 0.586 1 1 62 . 20 1 1 A 11 11 GLY HA2 H 11 4.039 3.705 0.334 1 1 63 . 20 1 1 A 11 11 GLY HA3 H 11 4.039 3.841 0.198 1 1 64 . 20 1 1 A 11 11 GLY C C 11 173.678 173.636 0.042 1 1 65 . 20 1 1 A 11 11 GLY CA C 11 45.531 45.450 0.081 1 1 66 . 20 1 1 A 11 11 GLY N N 11 110.301 108.241 2.060 1 1 67 . 20 1 1 A 12 12 HIS H H 12 7.970 7.625 0.345 1 1 68 . 20 1 1 A 12 12 HIS HA H 12 5.442 4.633 0.809 1 1 73 . 20 1 1 A 12 12 HIS C C 12 175.304 175.181 0.123 1 1 74 . 20 1 1 A 12 12 HIS CA C 12 55.095 57.244 -2.149 1 1 75 . 20 1 1 A 12 12 HIS CB C 12 31.849 30.814 1.035 1 1 78 . 20 1 1 A 12 12 HIS N N 12 119.432 119.118 0.314 1 1 79 . 20 1 1 A 13 13 PHE H H 13 8.940 8.502 0.438 1 1 80 . 20 1 1 A 13 13 PHE HA H 13 5.072 5.357 -0.285 1 1 88 . 20 1 1 A 13 13 PHE C C 13 172.688 172.871 -0.183 1 1 89 . 20 1 1 A 13 13 PHE CA C 13 56.269 55.255 1.014 1 1 90 . 20 1 1 A 13 13 PHE CB C 13 40.835 41.845 -1.010 1 1 96 . 20 1 1 A 13 13 PHE N N 13 118.413 119.709 -1.296 1 1 97 . 20 1 1 A 14 14 SER H H 14 8.709 9.238 -0.529 1 1 98 . 20 1 1 A 14 14 SER HA H 14 5.580 5.409 0.171 1 1 101 . 20 1 1 A 14 14 SER C C 14 174.119 174.020 0.099 1 1 102 . 20 1 1 A 14 14 SER CA C 14 56.974 55.528 1.446 1 1 103 . 20 1 1 A 14 14 SER CB C 14 65.778 66.035 -0.257 1 1 104 . 20 1 1 A 14 14 SER N N 14 115.082 113.754 1.328 1 1 105 . 20 1 1 A 15 15 VAL H H 15 8.801 8.543 0.258 1 1 106 . 20 1 1 A 15 15 VAL HA H 15 4.373 4.680 -0.307 1 1 114 . 20 1 1 A 15 15 VAL C C 15 173.002 174.940 -1.938 1 1 115 . 20 1 1 A 15 15 VAL CA C 15 61.312 61.324 -0.012 1 1 116 . 20 1 1 A 15 15 VAL CB C 15 36.461 33.356 3.105 1 1 119 . 20 1 1 A 15 15 VAL N N 15 121.148 121.950 -0.802 1 1 120 . 20 1 1 A 16 16 GLU H H 16 8.383 8.835 -0.452 1 1 121 . 20 1 1 A 16 16 GLU HA H 16 5.299 5.238 0.061 1 1 126 . 20 1 1 A 16 16 GLU C C 16 175.408 175.461 -0.053 1 1 127 . 20 1 1 A 16 16 GLU CA C 16 54.594 55.191 -0.597 1 1 128 . 20 1 1 A 16 16 GLU CB C 16 31.993 32.325 -0.332 1 1 130 . 20 1 1 A 16 16 GLU N N 16 125.925 126.568 -0.643 1 1 131 . 20 1 1 A 17 17 LEU H H 17 9.172 8.779 0.393 1 1 132 . 20 1 1 A 17 17 LEU HA H 17 5.000 4.914 0.086 1 1 142 . 20 1 1 A 17 17 LEU C C 17 175.596 175.693 -0.097 1 1 143 . 20 1 1 A 17 17 LEU CA C 17 52.919 53.708 -0.789 1 1 144 . 20 1 1 A 17 17 LEU CB C 17 47.317 46.646 0.671 1 1 148 . 20 1 1 A 17 17 LEU N N 17 122.761 123.130 -0.369 1 1 149 . 20 1 1 A 18 18 VAL H H 18 8.546 9.030 -0.484 1 1 150 . 20 1 1 A 18 18 VAL HA H 18 4.831 4.712 0.119 1 1 158 . 20 1 1 A 18 18 VAL C C 18 175.783 176.160 -0.377 1 1 159 . 20 1 1 A 18 18 VAL CA C 18 61.277 61.459 -0.182 1 1 160 . 20 1 1 A 18 18 VAL CB C 18 33.600 32.948 0.652 1 1 163 . 20 1 1 A 18 18 VAL N N 18 122.523 123.499 -0.976 1 1 164 . 20 1 1 A 19 19 ARG H H 19 8.495 8.277 0.218 1 1 165 . 20 1 1 A 19 19 ARG HA H 19 2.868 2.787 0.081 1 1 172 . 20 1 1 A 19 19 ARG C C 19 176.248 175.808 0.440 1 1 173 . 20 1 1 A 19 19 ARG CA C 19 58.138 57.094 1.044 1 1 174 . 20 1 1 A 19 19 ARG CB C 19 30.839 30.625 0.214 1 1 177 . 20 1 1 A 19 19 ARG N N 19 127.015 127.594 -0.579 1 1 178 . 20 1 1 A 20 20 GLY H H 20 7.244 8.387 -1.143 1 1 179 . 20 1 1 A 20 20 GLY HA2 H 20 4.504 4.020 0.484 1 1 180 . 20 1 1 A 20 20 GLY HA3 H 20 3.750 4.028 -0.278 1 1 181 . 20 1 1 A 20 20 GLY C C 20 175.286 172.684 2.602 1 1 182 . 20 1 1 A 20 20 GLY CA C 20 44.131 44.226 -0.095 1 1 183 . 20 1 1 A 20 20 GLY N N 20 112.266 112.619 -0.353 1 1 184 . 20 1 1 A 21 21 TYR HA H 21 4.219 4.914 -0.695 1 1 191 . 20 1 1 A 21 21 TYR C C 21 176.309 175.175 1.134 1 1 192 . 20 1 1 A 21 21 TYR CA C 21 60.518 56.466 4.052 1 1 193 . 20 1 1 A 21 21 TYR CB C 21 37.826 39.656 -1.830 1 1 198 . 20 1 1 A 22 22 ALA H H 22 8.272 8.939 -0.667 1 1 199 . 20 1 1 A 22 22 ALA HA H 22 4.404 3.970 0.434 1 1 203 . 20 1 1 A 22 22 ALA C C 22 177.312 176.991 0.321 1 1 204 . 20 1 1 A 22 22 ALA CA C 22 50.816 53.155 -2.339 1 1 205 . 20 1 1 A 22 22 ALA CB C 22 18.455 17.893 0.562 1 1 206 . 20 1 1 A 22 22 ALA N N 22 121.539 122.464 -0.925 1 1 207 . 20 1 1 A 23 23 GLY H H 23 7.495 8.171 -0.676 1 1 208 . 20 1 1 A 23 23 GLY HA2 H 23 4.541 3.838 0.703 1 1 209 . 20 1 1 A 23 23 GLY HA3 H 23 3.238 3.930 -0.692 1 1 210 . 20 1 1 A 23 23 GLY C C 23 175.043 175.016 0.027 1 1 211 . 20 1 1 A 23 23 GLY CA C 23 44.897 44.665 0.232 1 1 212 . 20 1 1 A 23 23 GLY N N 23 106.744 103.131 3.613 1 1 213 . 20 1 1 A 24 24 PHE H H 24 7.242 8.664 -1.422 1 1 214 . 20 1 1 A 24 24 PHE HA H 24 4.369 4.489 -0.120 1 1 222 . 20 1 1 A 24 24 PHE C C 24 175.902 175.626 0.276 1 1 223 . 20 1 1 A 24 24 PHE CA C 24 60.347 58.040 2.307 1 1 224 . 20 1 1 A 24 24 PHE CB C 24 39.575 39.318 0.257 1 1 230 . 20 1 1 A 25 25 GLY H H 25 8.820 7.941 0.879 1 1 231 . 20 1 1 A 25 25 GLY HA2 H 25 4.134 3.922 0.212 1 1 232 . 20 1 1 A 25 25 GLY HA3 H 25 3.913 3.929 -0.016 1 1 233 . 20 1 1 A 25 25 GLY C C 25 174.585 174.498 0.087 1 1 234 . 20 1 1 A 25 25 GLY CA C 25 47.030 46.611 0.419 1 1 235 . 20 1 1 A 25 25 GLY N N 25 107.899 109.381 -1.482 1 1 236 . 20 1 1 A 26 26 LEU H H 26 7.991 7.781 0.210 1 1 237 . 20 1 1 A 26 26 LEU HA H 26 4.990 4.810 0.180 1 1 247 . 20 1 1 A 26 26 LEU C C 26 174.135 175.313 -1.178 1 1 248 . 20 1 1 A 26 26 LEU CA C 26 53.906 53.678 0.228 1 1 249 . 20 1 1 A 26 26 LEU CB C 26 45.939 44.122 1.817 1 1 253 . 20 1 1 A 26 26 LEU N N 26 122.133 122.604 -0.471 1 1 254 . 20 1 1 A 27 27 THR H H 27 8.657 8.838 -0.181 1 1 255 . 20 1 1 A 27 27 THR HA H 27 4.662 5.118 -0.456 1 1 260 . 20 1 1 A 27 27 THR C C 27 174.074 173.554 0.520 1 1 261 . 20 1 1 A 27 27 THR CA C 27 61.382 61.576 -0.194 1 1 262 . 20 1 1 A 27 27 THR CB C 27 70.010 70.861 -0.851 1 1 264 . 20 1 1 A 27 27 THR N N 27 121.262 122.839 -1.577 1 1 265 . 20 1 1 A 28 28 LEU H H 28 9.692 9.048 0.644 1 1 266 . 20 1 1 A 28 28 LEU HA H 28 5.297 5.152 0.145 1 1 276 . 20 1 1 A 28 28 LEU C C 28 175.414 175.847 -0.433 1 1 277 . 20 1 1 A 28 28 LEU CA C 28 53.219 53.111 0.108 1 1 278 . 20 1 1 A 28 28 LEU CB C 28 45.049 44.333 0.716 1 1 282 . 20 1 1 A 28 28 LEU N N 28 128.374 126.211 2.163 1 1 283 . 20 1 1 A 29 29 GLY H H 29 8.818 8.549 0.269 1 1 284 . 20 1 1 A 29 29 GLY HA2 H 29 4.089 4.196 -0.107 1 1 285 . 20 1 1 A 29 29 GLY HA3 H 29 3.664 4.227 -0.563 1 1 286 . 20 1 1 A 29 29 GLY C C 29 171.700 174.464 -2.764 1 1 287 . 20 1 1 A 29 29 GLY CA C 29 44.086 44.749 -0.663 1 1 288 . 20 1 1 A 29 29 GLY N N 29 106.574 112.042 -5.468 1 1 289 . 20 1 1 A 30 30 GLY H H 30 8.339 8.199 0.140 1 1 290 . 20 1 1 A 30 30 GLY HA2 H 30 4.434 4.074 0.360 1 1 291 . 20 1 1 A 30 30 GLY HA3 H 30 3.554 4.099 -0.545 1 1 292 . 20 1 1 A 30 30 GLY C C 30 174.290 173.915 0.375 1 1 293 . 20 1 1 A 30 30 GLY CA C 30 44.879 44.664 0.215 1 1 294 . 20 1 1 A 30 30 GLY N N 30 107.245 112.319 -5.074 1 1 295 . 20 1 1 A 31 31 GLY H H 31 7.292 8.606 -1.314 1 1 296 . 20 1 1 A 31 31 GLY HA2 H 31 4.439 4.035 0.404 1 1 297 . 20 1 1 A 31 31 GLY HA3 H 31 4.000 4.085 -0.085 1 1 298 . 20 1 1 A 31 31 GLY C C 31 174.513 173.517 0.996 1 1 299 . 20 1 1 A 31 31 GLY CA C 31 43.589 45.127 -1.538 1 1 300 . 20 1 1 A 31 31 GLY N N 31 107.984 108.813 -0.829 1 1 301 . 20 1 1 A 32 32 ARG H H 32 8.065 8.423 -0.358 1 1 302 . 20 1 1 A 32 32 ARG HA H 32 4.380 4.518 -0.138 1 1 309 . 20 1 1 A 32 32 ARG C C 32 176.139 174.457 1.682 1 1 310 . 20 1 1 A 32 32 ARG CA C 32 57.354 55.728 1.626 1 1 311 . 20 1 1 A 32 32 ARG CB C 32 30.080 30.777 -0.697 1 1 314 . 20 1 1 A 32 32 ARG N N 32 121.733 121.852 -0.119 1 1 315 . 20 1 1 A 33 33 ASP H H 33 8.916 8.649 0.267 1 1 316 . 20 1 1 A 33 33 ASP HA H 33 4.799 5.088 -0.289 1 1 319 . 20 1 1 A 33 33 ASP C C 33 176.381 177.330 -0.949 1 1 320 . 20 1 1 A 33 33 ASP CA C 33 53.783 52.648 1.135 1 1 321 . 20 1 1 A 33 33 ASP CB C 33 43.712 43.607 0.105 1 1 322 . 20 1 1 A 33 33 ASP N N 33 126.313 126.496 -0.183 1 1 323 . 20 1 1 A 34 34 VAL H H 34 8.372 8.748 -0.376 1 1 324 . 20 1 1 A 34 34 VAL HA H 34 3.943 3.826 0.117 1 1 329 . 20 1 1 A 34 34 VAL C C 34 176.591 176.865 -0.274 1 1 330 . 20 1 1 A 34 34 VAL CA C 34 64.644 64.273 0.371 1 1 331 . 20 1 1 A 34 34 VAL CB C 34 31.796 31.519 0.277 1 1 333 . 20 1 1 A 34 34 VAL N N 34 121.465 123.950 -2.485 1 1 334 . 20 1 1 A 35 35 ALA H H 35 8.577 7.802 0.775 1 1 335 . 20 1 1 A 35 35 ALA HA H 35 4.386 4.259 0.127 1 1 339 . 20 1 1 A 35 35 ALA C C 35 177.532 177.201 0.331 1 1 340 . 20 1 1 A 35 35 ALA CA C 35 52.589 52.877 -0.288 1 1 341 . 20 1 1 A 35 35 ALA CB C 35 19.095 19.743 -0.648 1 1 342 . 20 1 1 A 35 35 ALA N N 35 123.222 123.369 -0.147 1 1 343 . 20 1 1 A 36 36 GLY H H 36 7.816 7.174 0.642 1 1 344 . 20 1 1 A 36 36 GLY HA2 H 36 4.274 3.989 0.285 1 1 345 . 20 1 1 A 36 36 GLY HA3 H 36 3.723 3.993 -0.270 1 1 346 . 20 1 1 A 36 36 GLY C C 36 172.610 171.897 0.713 1 1 347 . 20 1 1 A 36 36 GLY CA C 36 45.161 45.456 -0.295 1 1 348 . 20 1 1 A 36 36 GLY N N 36 107.925 102.833 5.092 1 1 349 . 20 1 1 A 37 37 ASP H H 37 8.604 8.784 -0.180 1 1 350 . 20 1 1 A 37 37 ASP HA H 37 4.810 5.528 -0.718 1 1 353 . 20 1 1 A 37 37 ASP C C 37 176.081 174.869 1.212 1 1 354 . 20 1 1 A 37 37 ASP CA C 37 54.700 52.865 1.835 1 1 355 . 20 1 1 A 37 37 ASP CB C 37 41.076 42.370 -1.294 1 1 356 . 20 1 1 A 37 37 ASP N N 37 124.969 118.452 6.517 1 1 357 . 20 1 1 A 38 38 THR H H 38 7.679 8.612 -0.933 1 1 358 . 20 1 1 A 38 38 THR HA H 38 4.704 4.999 -0.295 1 1 363 . 20 1 1 A 38 38 THR C C 38 172.712 171.348 1.364 1 1 364 . 20 1 1 A 38 38 THR CA C 38 59.810 58.408 1.402 1 1 365 . 20 1 1 A 38 38 THR CB C 38 70.420 70.456 -0.036 1 1 367 . 20 1 1 A 38 38 THR N N 38 116.498 114.963 1.535 1 1 368 . 20 1 1 A 39 39 PRO HA H 39 4.305 4.553 -0.248 1 1 375 . 20 1 1 A 39 39 PRO C C 39 176.355 176.875 -0.520 1 1 376 . 20 1 1 A 39 39 PRO CA C 39 63.304 62.868 0.436 1 1 377 . 20 1 1 A 39 39 PRO CB C 39 32.703 32.099 0.604 1 1 380 . 20 1 1 A 40 40 LEU H H 40 8.247 8.201 0.046 1 1 381 . 20 1 1 A 40 40 LEU HA H 40 4.704 4.307 0.397 1 1 391 . 20 1 1 A 40 40 LEU C C 40 176.631 177.116 -0.485 1 1 392 . 20 1 1 A 40 40 LEU CA C 40 55.352 55.116 0.236 1 1 393 . 20 1 1 A 40 40 LEU CB C 40 42.524 42.379 0.145 1 1 397 . 20 1 1 A 40 40 LEU N N 40 125.558 124.140 1.418 1 1 398 . 20 1 1 A 41 41 ALA H H 41 8.856 8.800 0.056 1 1 399 . 20 1 1 A 41 41 ALA HA H 41 5.465 4.988 0.477 1 1 403 . 20 1 1 A 41 41 ALA C C 41 176.658 176.116 0.542 1 1 404 . 20 1 1 A 41 41 ALA CA C 41 50.503 51.175 -0.672 1 1 405 . 20 1 1 A 41 41 ALA CB C 41 24.074 22.953 1.121 1 1 406 . 20 1 1 A 41 41 ALA N N 41 128.426 125.760 2.666 1 1 407 . 20 1 1 A 42 42 VAL H H 42 9.160 8.826 0.334 1 1 408 . 20 1 1 A 42 42 VAL HA H 42 3.803 4.049 -0.246 1 1 416 . 20 1 1 A 42 42 VAL C C 42 176.499 175.746 0.753 1 1 417 . 20 1 1 A 42 42 VAL CA C 42 64.196 63.716 0.480 1 1 418 . 20 1 1 A 42 42 VAL CB C 42 31.773 32.138 -0.365 1 1 421 . 20 1 1 A 42 42 VAL N N 42 119.342 122.449 -3.107 1 1 422 . 20 1 1 A 43 43 ARG H H 43 9.385 9.366 0.019 1 1 423 . 20 1 1 A 43 43 ARG HA H 43 4.527 4.458 0.069 1 1 430 . 20 1 1 A 43 43 ARG C C 43 175.332 175.791 -0.459 1 1 431 . 20 1 1 A 43 43 ARG CA C 43 55.340 57.120 -1.780 1 1 432 . 20 1 1 A 43 43 ARG CB C 43 32.242 32.078 0.164 1 1 435 . 20 1 1 A 43 43 ARG N N 43 131.043 128.259 2.784 1 1 436 . 20 1 1 A 44 44 GLY H H 44 7.872 7.871 0.001 1 1 437 . 20 1 1 A 44 44 GLY HA2 H 44 4.155 4.230 -0.075 1 1 438 . 20 1 1 A 44 44 GLY HA3 H 44 3.765 4.230 -0.465 1 1 439 . 20 1 1 A 44 44 GLY C C 44 170.284 171.874 -1.590 1 1 440 . 20 1 1 A 44 44 GLY CA C 44 45.602 44.147 1.455 1 1 441 . 20 1 1 A 44 44 GLY N N 44 107.517 107.537 -0.020 1 1 442 . 20 1 1 A 45 45 LEU H H 45 8.455 9.675 -1.220 1 1 443 . 20 1 1 A 45 45 LEU HA H 45 4.915 4.901 0.014 1 1 453 . 20 1 1 A 45 45 LEU C C 45 175.215 176.996 -1.781 1 1 454 . 20 1 1 A 45 45 LEU CA C 45 52.795 53.793 -0.998 1 1 455 . 20 1 1 A 45 45 LEU CB C 45 44.824 42.693 2.131 1 1 459 . 20 1 1 A 45 45 LEU N N 45 121.812 125.329 -3.517 1 1 460 . 20 1 1 A 46 46 LEU H H 46 7.582 8.799 -1.217 1 1 461 . 20 1 1 A 46 46 LEU HA H 46 4.208 4.355 -0.147 1 1 471 . 20 1 1 A 46 46 LEU C C 46 177.935 176.687 1.248 1 1 472 . 20 1 1 A 46 46 LEU CA C 46 54.984 55.940 -0.956 1 1 473 . 20 1 1 A 46 46 LEU CB C 46 42.815 42.532 0.283 1 1 477 . 20 1 1 A 46 46 LEU N N 46 124.670 128.545 -3.875 1 1 478 . 20 1 1 A 47 47 LYS H H 47 8.959 8.582 0.377 1 1 479 . 20 1 1 A 47 47 LYS HA H 47 3.875 3.965 -0.090 1 1 488 . 20 1 1 A 47 47 LYS C C 47 176.699 177.052 -0.353 1 1 489 . 20 1 1 A 47 47 LYS CA C 47 58.861 57.521 1.340 1 1 490 . 20 1 1 A 47 47 LYS CB C 47 32.076 32.165 -0.089 1 1 494 . 20 1 1 A 47 47 LYS N N 47 129.726 127.368 2.358 1 1 495 . 20 1 1 A 48 48 ASP H H 48 8.845 9.073 -0.228 1 1 496 . 20 1 1 A 48 48 ASP HA H 48 4.395 4.307 0.088 1 1 499 . 20 1 1 A 48 48 ASP C C 48 175.442 175.338 0.104 1 1 500 . 20 1 1 A 48 48 ASP CA C 48 56.632 54.946 1.686 1 1 501 . 20 1 1 A 48 48 ASP CB C 48 39.740 39.594 0.146 1 1 502 . 20 1 1 A 48 48 ASP N N 48 119.883 125.522 -5.639 1 1 503 . 20 1 1 A 49 49 GLY H H 49 7.947 8.107 -0.160 1 1 504 . 20 1 1 A 49 49 GLY HA2 H 49 4.578 4.271 0.307 1 1 505 . 20 1 1 A 49 49 GLY HA3 H 49 3.748 4.347 -0.599 1 1 506 . 20 1 1 A 49 49 GLY C C 49 172.008 174.793 -2.785 1 1 507 . 20 1 1 A 49 49 GLY CA C 49 45.000 44.114 0.886 1 1 508 . 20 1 1 A 49 49 GLY N N 49 106.565 106.320 0.245 1 1 509 . 20 1 1 A 50 50 PRO HA H 50 4.268 4.356 -0.088 1 1 516 . 20 1 1 A 50 50 PRO C C 50 179.273 178.509 0.764 1 1 517 . 20 1 1 A 50 50 PRO CA C 50 65.791 65.310 0.481 1 1 518 . 20 1 1 A 50 50 PRO CB C 50 32.532 32.027 0.505 1 1 521 . 20 1 1 A 51 51 ALA H H 51 7.805 8.229 -0.424 1 1 522 . 20 1 1 A 51 51 ALA HA H 51 4.167 4.132 0.035 1 1 526 . 20 1 1 A 51 51 ALA C C 51 178.947 180.012 -1.065 1 1 527 . 20 1 1 A 51 51 ALA CA C 51 55.079 54.664 0.415 1 1 528 . 20 1 1 A 51 51 ALA CB C 51 18.988 18.488 0.500 1 1 529 . 20 1 1 A 51 51 ALA N N 51 119.037 118.939 0.098 1 1 530 . 20 1 1 A 52 52 GLN H H 52 9.614 7.765 1.849 1 1 531 . 20 1 1 A 52 52 GLN HA H 52 3.969 4.136 -0.167 1 1 538 . 20 1 1 A 52 52 GLN C C 52 178.509 178.476 0.033 1 1 539 . 20 1 1 A 52 52 GLN CA C 52 59.529 58.568 0.961 1 1 540 . 20 1 1 A 52 52 GLN CB C 52 29.107 28.608 0.499 1 1 542 . 20 1 1 A 52 52 GLN N N 52 122.017 118.043 3.974 1 1 544 . 20 1 1 A 53 53 ARG H H 53 8.524 8.323 0.201 1 1 545 . 20 1 1 A 53 53 ARG HA H 53 3.996 4.096 -0.100 1 1 552 . 20 1 1 A 53 53 ARG C C 53 178.479 179.052 -0.573 1 1 553 . 20 1 1 A 53 53 ARG CA C 53 58.825 59.612 -0.787 1 1 554 . 20 1 1 A 53 53 ARG CB C 53 30.546 30.392 0.154 1 1 557 . 20 1 1 A 53 53 ARG N N 53 116.703 118.880 -2.177 1 1 558 . 20 1 1 A 54 54 CYS H H 54 7.589 7.775 -0.186 1 1 559 . 20 1 1 A 54 54 CYS HA H 54 4.641 4.323 0.318 1 1 562 . 20 1 1 A 54 54 CYS C C 54 175.840 175.711 0.129 1 1 563 . 20 1 1 A 54 54 CYS CA C 54 59.724 60.182 -0.458 1 1 564 . 20 1 1 A 54 54 CYS CB C 54 27.419 28.853 -1.434 1 1 565 . 20 1 1 A 54 54 CYS N N 54 113.424 116.914 -3.490 1 1 566 . 20 1 1 A 55 55 GLY H H 55 7.436 7.794 -0.358 1 1 567 . 20 1 1 A 55 55 GLY HA2 H 55 4.082 3.965 0.117 1 1 568 . 20 1 1 A 55 55 GLY HA3 H 55 4.082 3.973 0.109 1 1 569 . 20 1 1 A 55 55 GLY C C 55 174.435 175.810 -1.375 1 1 570 . 20 1 1 A 55 55 GLY CA C 55 46.977 45.338 1.639 1 1 571 . 20 1 1 A 55 55 GLY N N 55 109.572 109.530 0.042 1 1 572 . 20 1 1 A 56 56 ARG H H 56 7.860 8.187 -0.327 1 1 573 . 20 1 1 A 56 56 ARG HA H 56 4.472 4.013 0.459 1 1 580 . 20 1 1 A 56 56 ARG C C 56 174.959 176.401 -1.442 1 1 581 . 20 1 1 A 56 56 ARG CA C 56 55.687 58.706 -3.019 1 1 582 . 20 1 1 A 56 56 ARG CB C 56 32.785 30.317 2.468 1 1 585 . 20 1 1 A 56 56 ARG N N 56 118.137 119.773 -1.636 1 1 586 . 20 1 1 A 57 57 LEU H H 57 8.219 7.996 0.223 1 1 587 . 20 1 1 A 57 57 LEU HA H 57 4.926 4.907 0.019 1 1 597 . 20 1 1 A 57 57 LEU C C 57 175.333 175.715 -0.382 1 1 598 . 20 1 1 A 57 57 LEU CA C 57 53.043 53.352 -0.309 1 1 599 . 20 1 1 A 57 57 LEU CB C 57 46.459 43.051 3.408 1 1 603 . 20 1 1 A 57 57 LEU N N 57 117.496 120.650 -3.154 1 1 604 . 20 1 1 A 58 58 GLU H H 58 9.053 8.928 0.125 1 1 605 . 20 1 1 A 58 58 GLU HA H 58 4.460 4.976 -0.516 1 1 610 . 20 1 1 A 58 58 GLU C C 58 175.683 175.295 0.388 1 1 611 . 20 1 1 A 58 58 GLU CA C 58 54.144 54.333 -0.189 1 1 612 . 20 1 1 A 58 58 GLU CB C 58 33.286 33.629 -0.343 1 1 614 . 20 1 1 A 58 58 GLU N N 58 121.883 122.067 -0.184 1 1 615 . 20 1 1 A 59 59 VAL H H 59 8.727 8.568 0.159 1 1 616 . 20 1 1 A 59 59 VAL HA H 59 3.213 3.505 -0.292 1 1 624 . 20 1 1 A 59 59 VAL C C 59 177.728 177.054 0.674 1 1 625 . 20 1 1 A 59 59 VAL CA C 59 65.823 65.607 0.216 1 1 626 . 20 1 1 A 59 59 VAL CB C 59 31.151 31.289 -0.138 1 1 629 . 20 1 1 A 59 59 VAL N N 59 121.698 121.902 -0.204 1 1 630 . 20 1 1 A 60 60 GLY H H 60 9.172 8.471 0.701 1 1 631 . 20 1 1 A 60 60 GLY HA2 H 60 4.500 4.030 0.470 1 1 632 . 20 1 1 A 60 60 GLY HA3 H 60 3.469 4.034 -0.565 1 1 633 . 20 1 1 A 60 60 GLY C C 60 173.646 174.323 -0.677 1 1 634 . 20 1 1 A 60 60 GLY CA C 60 44.148 45.010 -0.862 1 1 635 . 20 1 1 A 60 60 GLY N N 60 117.734 115.305 2.429 1 1 636 . 20 1 1 A 61 61 ASP H H 61 7.877 7.900 -0.023 1 1 637 . 20 1 1 A 61 61 ASP HA H 61 4.551 4.609 -0.058 1 1 640 . 20 1 1 A 61 61 ASP C C 61 175.437 174.952 0.485 1 1 641 . 20 1 1 A 61 61 ASP CA C 61 56.057 55.309 0.748 1 1 642 . 20 1 1 A 61 61 ASP CB C 61 40.660 41.773 -1.113 1 1 643 . 20 1 1 A 61 61 ASP N N 61 121.399 121.975 -0.576 1 1 644 . 20 1 1 A 62 62 LEU H H 62 8.773 8.641 0.132 1 1 645 . 20 1 1 A 62 62 LEU HA H 62 4.713 4.846 -0.133 1 1 655 . 20 1 1 A 62 62 LEU C C 62 176.560 175.403 1.157 1 1 656 . 20 1 1 A 62 62 LEU CA C 62 54.259 53.482 0.777 1 1 657 . 20 1 1 A 62 62 LEU CB C 62 42.022 43.127 -1.105 1 1 661 . 20 1 1 A 62 62 LEU N N 62 120.566 122.422 -1.856 1 1 662 . 20 1 1 A 63 63 VAL H H 63 8.121 8.801 -0.680 1 1 663 . 20 1 1 A 63 63 VAL HA H 63 4.113 4.190 -0.077 1 1 671 . 20 1 1 A 63 63 VAL C C 63 175.468 175.392 0.076 1 1 672 . 20 1 1 A 63 63 VAL CA C 63 61.763 62.528 -0.765 1 1 673 . 20 1 1 A 63 63 VAL CB C 63 31.413 31.793 -0.380 1 1 676 . 20 1 1 A 63 63 VAL N N 63 121.172 124.613 -3.441 1 1 677 . 20 1 1 A 64 64 LEU H H 64 9.077 8.656 0.421 1 1 678 . 20 1 1 A 64 64 LEU HA H 64 4.113 4.187 -0.074 1 1 688 . 20 1 1 A 64 64 LEU C C 64 177.611 176.417 1.194 1 1 689 . 20 1 1 A 64 64 LEU CA C 64 56.614 55.499 1.115 1 1 690 . 20 1 1 A 64 64 LEU CB C 64 42.994 42.144 0.850 1 1 694 . 20 1 1 A 64 64 LEU N N 64 130.175 127.753 2.422 1 1 695 . 20 1 1 A 65 65 HIS H H 65 7.510 7.078 0.432 1 1 696 . 20 1 1 A 65 65 HIS HA H 65 5.297 5.201 0.096 1 1 701 . 20 1 1 A 65 65 HIS C C 65 174.833 173.649 1.184 1 1 702 . 20 1 1 A 65 65 HIS CA C 65 55.715 54.430 1.285 1 1 703 . 20 1 1 A 65 65 HIS CB C 65 35.813 34.645 1.168 1 1 706 . 20 1 1 A 65 65 HIS N N 65 115.096 114.228 0.868 1 1 707 . 20 1 1 A 66 66 ILE H H 66 8.675 8.803 -0.128 1 1 708 . 20 1 1 A 66 66 ILE HA H 66 4.320 4.383 -0.063 1 1 718 . 20 1 1 A 66 66 ILE C C 66 175.571 175.889 -0.318 1 1 719 . 20 1 1 A 66 66 ILE CA C 66 60.510 60.130 0.380 1 1 720 . 20 1 1 A 66 66 ILE CB C 66 41.360 40.734 0.626 1 1 724 . 20 1 1 A 66 66 ILE N N 66 119.474 119.377 0.097 1 1 725 . 20 1 1 A 67 67 ASN H H 67 10.170 9.537 0.633 1 1 726 . 20 1 1 A 67 67 ASN HA H 67 4.595 4.591 0.004 1 1 731 . 20 1 1 A 67 67 ASN C C 67 175.349 175.556 -0.207 1 1 732 . 20 1 1 A 67 67 ASN CA C 67 54.589 54.628 -0.039 1 1 733 . 20 1 1 A 67 67 ASN CB C 67 37.267 37.433 -0.166 1 1 734 . 20 1 1 A 67 67 ASN N N 67 129.216 127.200 2.016 1 1 736 . 20 1 1 A 68 68 GLY H H 68 9.396 8.804 0.592 1 1 737 . 20 1 1 A 68 68 GLY HA2 H 68 4.155 3.857 0.298 1 1 738 . 20 1 1 A 68 68 GLY HA3 H 68 3.585 3.898 -0.313 1 1 739 . 20 1 1 A 68 68 GLY C C 68 173.920 173.689 0.231 1 1 740 . 20 1 1 A 68 68 GLY CA C 68 45.267 45.871 -0.604 1 1 741 . 20 1 1 A 68 68 GLY N N 68 104.067 103.614 0.453 1 1 742 . 20 1 1 A 69 69 GLU H H 69 7.815 7.965 -0.150 1 1 743 . 20 1 1 A 69 69 GLU HA H 69 4.619 4.638 -0.019 1 1 748 . 20 1 1 A 69 69 GLU C C 69 175.696 174.998 0.698 1 1 749 . 20 1 1 A 69 69 GLU CA C 69 54.803 54.701 0.102 1 1 750 . 20 1 1 A 69 69 GLU CB C 69 32.281 32.349 -0.068 1 1 752 . 20 1 1 A 69 69 GLU N N 69 121.337 120.917 0.420 1 1 753 . 20 1 1 A 70 70 SER H H 70 8.867 8.945 -0.078 1 1 754 . 20 1 1 A 70 70 SER HA H 70 4.411 4.446 -0.035 1 1 757 . 20 1 1 A 70 70 SER C C 70 176.409 175.846 0.563 1 1 758 . 20 1 1 A 70 70 SER CA C 70 58.034 59.247 -1.213 1 1 759 . 20 1 1 A 70 70 SER CB C 70 63.432 63.556 -0.124 1 1 760 . 20 1 1 A 70 70 SER N N 70 119.566 121.391 -1.825 1 1 761 . 20 1 1 A 71 71 THR H H 71 7.914 8.905 -0.991 1 1 762 . 20 1 1 A 71 71 THR HA H 71 4.162 4.393 -0.231 1 1 767 . 20 1 1 A 71 71 THR C C 71 175.433 176.333 -0.900 1 1 768 . 20 1 1 A 71 71 THR CA C 71 60.921 63.554 -2.633 1 1 769 . 20 1 1 A 71 71 THR CB C 71 68.671 68.963 -0.292 1 1 771 . 20 1 1 A 71 71 THR N N 71 114.514 116.325 -1.811 1 1 772 . 20 1 1 A 72 72 GLN H H 72 8.131 8.054 0.077 1 1 773 . 20 1 1 A 72 72 GLN HA H 72 4.020 4.167 -0.147 1 1 780 . 20 1 1 A 72 72 GLN C C 72 176.950 177.340 -0.390 1 1 781 . 20 1 1 A 72 72 GLN CA C 72 58.361 58.772 -0.411 1 1 782 . 20 1 1 A 72 72 GLN CB C 72 28.079 28.449 -0.370 1 1 784 . 20 1 1 A 72 72 GLN N N 72 124.809 122.244 2.565 1 1 786 . 20 1 1 A 73 73 GLY H H 73 9.025 7.999 1.026 1 1 787 . 20 1 1 A 73 73 GLY HA2 H 73 4.092 3.999 0.093 1 1 788 . 20 1 1 A 73 73 GLY HA3 H 73 3.754 4.003 -0.249 1 1 789 . 20 1 1 A 73 73 GLY C C 73 173.971 173.752 0.219 1 1 790 . 20 1 1 A 73 73 GLY CA C 73 45.373 45.260 0.113 1 1 791 . 20 1 1 A 73 73 GLY N N 73 114.015 107.819 6.196 1 1 792 . 20 1 1 A 74 74 LEU H H 74 7.672 7.467 0.205 1 1 793 . 20 1 1 A 74 74 LEU HA H 74 4.768 4.649 0.119 1 1 803 . 20 1 1 A 74 74 LEU C C 74 179.964 176.801 3.163 1 1 804 . 20 1 1 A 74 74 LEU CA C 74 54.682 53.986 0.696 1 1 805 . 20 1 1 A 74 74 LEU CB C 74 42.355 42.825 -0.470 1 1 809 . 20 1 1 A 74 74 LEU N N 74 118.933 121.143 -2.210 1 1 810 . 20 1 1 A 75 75 THR H H 75 8.911 8.882 0.029 1 1 811 . 20 1 1 A 75 75 THR HA H 75 4.799 4.721 0.078 1 1 816 . 20 1 1 A 75 75 THR C C 75 174.971 175.353 -0.382 1 1 817 . 20 1 1 A 75 75 THR CA C 75 60.571 60.569 0.002 1 1 818 . 20 1 1 A 75 75 THR CB C 75 71.058 71.449 -0.391 1 1 820 . 20 1 1 A 75 75 THR N N 75 113.687 116.795 -3.108 1 1 821 . 20 1 1 A 76 76 HIS H H 76 9.474 9.091 0.383 1 1 822 . 20 1 1 A 76 76 HIS HA H 76 3.997 4.103 -0.106 1 1 826 . 20 1 1 A 76 76 HIS C C 76 176.917 176.848 0.069 1 1 827 . 20 1 1 A 76 76 HIS CA C 76 61.208 61.080 0.128 1 1 828 . 20 1 1 A 76 76 HIS CB C 76 29.729 30.399 -0.670 1 1 830 . 20 1 1 A 76 76 HIS N N 76 122.022 121.875 0.147 1 1 831 . 20 1 1 A 77 77 ALA H H 77 8.457 8.493 -0.036 1 1 832 . 20 1 1 A 77 77 ALA HA H 77 3.946 4.050 -0.104 1 1 836 . 20 1 1 A 77 77 ALA C C 77 181.502 179.765 1.737 1 1 837 . 20 1 1 A 77 77 ALA CA C 77 55.282 55.184 0.098 1 1 838 . 20 1 1 A 77 77 ALA CB C 77 18.162 18.297 -0.135 1 1 839 . 20 1 1 A 77 77 ALA N N 77 119.389 121.058 -1.669 1 1 840 . 20 1 1 A 78 78 GLN H H 78 7.991 7.899 0.092 1 1 841 . 20 1 1 A 78 78 GLN HA H 78 4.029 4.033 -0.004 1 1 848 . 20 1 1 A 78 78 GLN C C 78 179.215 178.497 0.718 1 1 849 . 20 1 1 A 78 78 GLN CA C 78 58.562 58.691 -0.129 1 1 850 . 20 1 1 A 78 78 GLN CB C 78 29.592 28.648 0.944 1 1 852 . 20 1 1 A 78 78 GLN N N 78 117.510 117.662 -0.152 1 1 854 . 20 1 1 A 79 79 ALA H H 79 8.367 8.323 0.044 1 1 855 . 20 1 1 A 79 79 ALA HA H 79 3.775 4.047 -0.272 1 1 859 . 20 1 1 A 79 79 ALA C C 79 178.754 179.988 -1.234 1 1 860 . 20 1 1 A 79 79 ALA CA C 79 55.828 54.890 0.938 1 1 861 . 20 1 1 A 79 79 ALA CB C 79 18.733 18.378 0.355 1 1 862 . 20 1 1 A 79 79 ALA N N 79 123.463 122.385 1.078 1 1 863 . 20 1 1 A 80 80 VAL H H 80 8.228 7.198 1.030 1 1 864 . 20 1 1 A 80 80 VAL HA H 80 3.510 3.586 -0.076 1 1 872 . 20 1 1 A 80 80 VAL C C 80 179.087 177.734 1.353 1 1 873 . 20 1 1 A 80 80 VAL CA C 80 66.912 66.438 0.474 1 1 874 . 20 1 1 A 80 80 VAL CB C 80 31.781 31.637 0.144 1 1 877 . 20 1 1 A 80 80 VAL N N 80 116.720 117.472 -0.752 1 1 878 . 20 1 1 A 81 81 GLU H H 81 7.834 8.300 -0.466 1 1 879 . 20 1 1 A 81 81 GLU HA H 81 4.195 3.964 0.231 1 1 884 . 20 1 1 A 81 81 GLU C C 81 178.847 178.680 0.167 1 1 885 . 20 1 1 A 81 81 GLU CA C 81 59.100 59.150 -0.050 1 1 886 . 20 1 1 A 81 81 GLU CB C 81 28.818 29.284 -0.466 1 1 888 . 20 1 1 A 81 81 GLU N N 81 121.198 119.927 1.271 1 1 889 . 20 1 1 A 82 82 ARG H H 82 8.004 8.085 -0.081 1 1 890 . 20 1 1 A 82 82 ARG HA H 82 4.021 4.053 -0.032 1 1 897 . 20 1 1 A 82 82 ARG C C 82 179.863 178.485 1.378 1 1 898 . 20 1 1 A 82 82 ARG CA C 82 58.487 59.170 -0.683 1 1 899 . 20 1 1 A 82 82 ARG CB C 82 29.026 29.888 -0.862 1 1 902 . 20 1 1 A 82 82 ARG N N 82 119.267 118.737 0.530 1 1 903 . 20 1 1 A 83 83 ILE H H 83 7.875 7.734 0.141 1 1 904 . 20 1 1 A 83 83 ILE HA H 83 3.467 3.635 -0.168 1 1 914 . 20 1 1 A 83 83 ILE C C 83 179.211 177.880 1.331 1 1 915 . 20 1 1 A 83 83 ILE CA C 83 65.491 64.951 0.540 1 1 916 . 20 1 1 A 83 83 ILE CB C 83 38.055 37.959 0.096 1 1 920 . 20 1 1 A 83 83 ILE N N 83 120.039 121.134 -1.095 1 1 921 . 20 1 1 A 84 84 ARG H H 84 8.207 8.102 0.105 1 1 922 . 20 1 1 A 84 84 ARG HA H 84 4.125 4.115 0.010 1 1 929 . 20 1 1 A 84 84 ARG C C 84 179.062 179.370 -0.308 1 1 930 . 20 1 1 A 84 84 ARG CA C 84 59.643 59.853 -0.210 1 1 931 . 20 1 1 A 84 84 ARG CB C 84 30.197 30.178 0.019 1 1 934 . 20 1 1 A 84 84 ARG N N 84 121.315 119.624 1.691 1 1 935 . 20 1 1 A 85 85 ALA H H 85 8.366 8.276 0.090 1 1 936 . 20 1 1 A 85 85 ALA HA H 85 4.241 4.105 0.136 1 1 940 . 20 1 1 A 85 85 ALA C C 85 179.042 179.894 -0.852 1 1 941 . 20 1 1 A 85 85 ALA CA C 85 53.695 54.804 -1.109 1 1 942 . 20 1 1 A 85 85 ALA CB C 85 18.806 18.597 0.209 1 1 943 . 20 1 1 A 85 85 ALA N N 85 120.166 122.019 -1.853 1 1 944 . 20 1 1 A 86 86 GLY H H 86 7.470 8.199 -0.729 1 1 945 . 20 1 1 A 86 86 GLY HA2 H 86 4.134 3.943 0.191 1 1 946 . 20 1 1 A 86 86 GLY HA3 H 86 4.134 3.950 0.184 1 1 947 . 20 1 1 A 86 86 GLY C C 86 174.699 174.585 0.114 1 1 948 . 20 1 1 A 86 86 GLY CA C 86 45.902 46.335 -0.433 1 1 949 . 20 1 1 A 86 86 GLY N N 86 104.067 106.379 -2.312 1 1 950 . 20 1 1 A 87 87 GLY H H 87 7.688 7.653 0.035 1 1 951 . 20 1 1 A 87 87 GLY HA2 H 87 4.528 4.070 0.458 1 1 952 . 20 1 1 A 87 87 GLY HA3 H 87 3.835 4.070 -0.235 1 1 953 . 20 1 1 A 87 87 GLY C C 87 173.611 173.918 -0.307 1 1 954 . 20 1 1 A 87 87 GLY CA C 87 44.677 44.495 0.182 1 1 955 . 20 1 1 A 87 87 GLY N N 87 107.458 106.270 1.188 1 1 956 . 20 1 1 A 88 88 PRO HA H 88 4.306 4.506 -0.200 1 1 963 . 20 1 1 A 88 88 PRO C C 88 175.247 176.340 -1.093 1 1 964 . 20 1 1 A 88 88 PRO CA C 88 64.596 64.176 0.420 1 1 965 . 20 1 1 A 88 88 PRO CB C 88 32.405 32.118 0.287 1 1 968 . 20 1 1 A 89 89 GLN H H 89 7.606 7.979 -0.373 1 1 969 . 20 1 1 A 89 89 GLN HA H 89 5.343 4.958 0.385 1 1 976 . 20 1 1 A 89 89 GLN C C 89 173.750 174.546 -0.796 1 1 977 . 20 1 1 A 89 89 GLN CA C 89 54.626 54.843 -0.217 1 1 978 . 20 1 1 A 89 89 GLN CB C 89 31.870 31.208 0.662 1 1 980 . 20 1 1 A 89 89 GLN N N 89 116.964 118.781 -1.817 1 1 982 . 20 1 1 A 90 90 LEU H H 90 8.610 8.396 0.214 1 1 983 . 20 1 1 A 90 90 LEU HA H 90 4.757 5.038 -0.281 1 1 993 . 20 1 1 A 90 90 LEU C C 90 173.607 174.944 -1.337 1 1 994 . 20 1 1 A 90 90 LEU CA C 90 53.730 53.180 0.550 1 1 995 . 20 1 1 A 90 90 LEU CB C 90 45.549 44.810 0.739 1 1 999 . 20 1 1 A 90 90 LEU N N 90 124.460 125.096 -0.636 1 1 1000 . 20 1 1 A 91 91 HIS H H 91 8.826 8.776 0.050 1 1 1001 . 20 1 1 A 91 91 HIS HA H 91 5.207 5.325 -0.118 1 1 1006 . 20 1 1 A 91 91 HIS C C 91 174.745 173.148 1.597 1 1 1007 . 20 1 1 A 91 91 HIS CA C 91 55.093 54.944 0.149 1 1 1008 . 20 1 1 A 91 91 HIS CB C 91 32.686 33.134 -0.448 1 1 1011 . 20 1 1 A 91 91 HIS N N 91 126.871 125.650 1.221 1 1 1012 . 20 1 1 A 92 92 LEU H H 92 9.024 8.347 0.677 1 1 1013 . 20 1 1 A 92 92 LEU HA H 92 5.203 4.871 0.332 1 1 1023 . 20 1 1 A 92 92 LEU C C 92 175.889 175.472 0.417 1 1 1024 . 20 1 1 A 92 92 LEU CA C 92 52.955 53.196 -0.241 1 1 1025 . 20 1 1 A 92 92 LEU CB C 92 46.233 45.725 0.508 1 1 1029 . 20 1 1 A 92 92 LEU N N 92 125.837 128.636 -2.799 1 1 1030 . 20 1 1 A 93 93 VAL H H 93 7.739 8.789 -1.050 1 1 1031 . 20 1 1 A 93 93 VAL HA H 93 4.568 4.622 -0.054 1 1 1039 . 20 1 1 A 93 93 VAL C C 93 174.538 174.781 -0.243 1 1 1040 . 20 1 1 A 93 93 VAL CA C 93 62.666 61.795 0.871 1 1 1041 . 20 1 1 A 93 93 VAL CB C 93 32.838 31.564 1.274 1 1 1044 . 20 1 1 A 93 93 VAL N N 93 120.566 124.870 -4.304 1 1 1045 . 20 1 1 A 94 94 ILE H H 94 8.965 8.420 0.545 1 1 1046 . 20 1 1 A 94 94 ILE HA H 94 5.152 4.897 0.255 1 1 1056 . 20 1 1 A 94 94 ILE C C 94 174.723 174.532 0.191 1 1 1057 . 20 1 1 A 94 94 ILE CA C 94 56.360 59.135 -2.775 1 1 1058 . 20 1 1 A 94 94 ILE CB C 94 39.214 40.717 -1.503 1 1 1062 . 20 1 1 A 94 94 ILE N N 94 128.952 127.575 1.377 1 1 1063 . 20 1 1 A 95 95 ARG H H 95 8.286 8.418 -0.132 1 1 1064 . 20 1 1 A 95 95 ARG HA H 95 4.715 4.959 -0.244 1 1 1071 . 20 1 1 A 95 95 ARG C C 95 173.665 174.987 -1.322 1 1 1072 . 20 1 1 A 95 95 ARG CA C 95 54.982 54.809 0.173 1 1 1073 . 20 1 1 A 95 95 ARG CB C 95 34.833 33.464 1.369 1 1 1076 . 20 1 1 A 95 95 ARG N N 95 120.920 125.600 -4.680 1 1 1077 . 20 1 1 A 96 96 ARG H H 96 9.238 8.990 0.248 1 1 1078 . 20 1 1 A 96 96 ARG HA H 96 4.984 4.402 0.582 1 1 1086 . 20 1 1 A 96 96 ARG C C 96 174.582 174.862 -0.280 1 1 1087 . 20 1 1 A 96 96 ARG CA C 96 53.219 54.366 -1.147 1 1 1088 . 20 1 1 A 96 96 ARG CB C 96 31.369 31.349 0.020 1 1 1091 . 20 1 1 A 96 96 ARG N N 96 129.955 128.623 1.332 1 1 1093 . 20 1 1 A 97 97 PRO HA H 97 4.424 4.684 -0.260 1 1 1100 . 20 1 1 A 97 97 PRO C C 97 176.289 175.362 0.927 1 1 1101 . 20 1 1 A 97 97 PRO CA C 97 63.322 62.317 1.005 1 1 1102 . 20 1 1 A 97 97 PRO CB C 97 32.240 32.890 -0.650 1 1 1105 . 20 1 1 A 98 98 LEU H H 98 8.325 8.427 -0.102 1 1 1106 . 20 1 1 A 98 98 LEU HA H 98 4.399 4.707 -0.308 1 1 1116 . 20 1 1 A 98 98 LEU C C 98 177.395 175.657 1.738 1 1 1117 . 20 1 1 A 98 98 LEU CA C 98 55.165 54.014 1.151 1 1 1118 . 20 1 1 A 98 98 LEU CB C 98 42.419 41.554 0.865 1 1 1122 . 20 1 1 A 98 98 LEU N N 98 122.396 122.781 -0.385 1 1 1123 . 20 1 1 A 99 99 SER H H 99 8.333 8.579 -0.246 1 1 1124 . 20 1 1 A 99 99 SER HA H 99 4.483 4.990 -0.507 1 1 1127 . 20 1 1 A 99 99 SER C C 99 174.489 173.478 1.011 1 1 1128 . 20 1 1 A 99 99 SER CA C 99 58.138 58.068 0.070 1 1 1129 . 20 1 1 A 99 99 SER CB C 99 63.846 66.887 -3.041 1 1 1130 . 20 1 1 A 99 99 SER N N 99 116.892 119.394 -2.502 1 1 1131 . 20 1 1 A 100 100 GLY H H 100 8.253 8.801 -0.548 1 1 1132 . 20 1 1 A 100 100 GLY HA2 H 100 4.177 4.027 0.150 1 1 1133 . 20 1 1 A 100 100 GLY HA3 H 100 4.101 4.028 0.073 1 1 1134 . 20 1 1 A 100 100 GLY C C 100 171.838 173.071 -1.233 1 1 1135 . 20 1 1 A 100 100 GLY CA C 100 44.679 44.971 -0.292 1 1 1136 . 20 1 1 A 100 100 GLY N N 100 110.703 111.982 -1.279 1 1 1137 . 20 1 1 A 101 101 PRO HA H 101 4.480 4.625 -0.145 1 1 1144 . 20 1 1 A 101 101 PRO C C 101 177.411 175.682 1.729 1 1 1145 . 20 1 1 A 101 101 PRO CA C 101 63.312 62.813 0.499 1 1 1146 . 20 1 1 A 101 101 PRO CB C 101 32.158 32.681 -0.523 1 1 1149 . 20 1 1 A 102 102 SER H H 102 8.517 8.668 -0.151 1 1 1150 . 20 1 1 A 102 102 SER C C 102 174.655 173.107 1.548 1 1 1151 . 20 1 1 A 102 102 SER CA C 102 58.438 56.643 1.795 1 1 1152 . 20 1 1 A 102 102 SER CB C 102 63.970 63.314 0.656 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 100 1.153 1 2 1 1 1 "RMS(OBS, PRED)" CA 100 1.157 1 3 1 1 1 "RMS(OBS, PRED)" CB 81 1.026 1 4 1 1 1 "RMS(OBS, PRED)" H 92 0.576 1 5 1 1 1 "RMS(OBS, PRED)" HA 115 0.321 1 6 1 1 1 "RMS(OBS, PRED)" N 90 2.996 1 7 1 2 1 "RMS(OBS, PRED)" C 100 1.179 1 8 1 2 1 "RMS(OBS, PRED)" CA 100 1.041 1 9 1 2 1 "RMS(OBS, PRED)" CB 81 1.090 1 10 1 2 1 "RMS(OBS, PRED)" H 92 0.592 1 11 1 2 1 "RMS(OBS, PRED)" HA 115 0.324 1 12 1 2 1 "RMS(OBS, PRED)" N 90 2.837 1 13 1 3 1 "RMS(OBS, PRED)" C 100 1.186 1 14 1 3 1 "RMS(OBS, PRED)" CA 100 1.067 1 15 1 3 1 "RMS(OBS, PRED)" CB 81 1.046 1 16 1 3 1 "RMS(OBS, PRED)" H 92 0.584 1 17 1 3 1 "RMS(OBS, PRED)" HA 115 0.289 1 18 1 3 1 "RMS(OBS, PRED)" N 90 2.637 1 19 1 4 1 "RMS(OBS, PRED)" C 100 1.204 1 20 1 4 1 "RMS(OBS, PRED)" CA 100 0.977 1 21 1 4 1 "RMS(OBS, PRED)" CB 81 0.975 1 22 1 4 1 "RMS(OBS, PRED)" H 92 0.562 1 23 1 4 1 "RMS(OBS, PRED)" HA 115 0.306 1 24 1 4 1 "RMS(OBS, PRED)" N 90 2.866 1 25 1 5 1 "RMS(OBS, PRED)" C 100 1.337 1 26 1 5 1 "RMS(OBS, PRED)" CA 100 1.166 1 27 1 5 1 "RMS(OBS, PRED)" CB 81 1.230 1 28 1 5 1 "RMS(OBS, PRED)" H 92 0.556 1 29 1 5 1 "RMS(OBS, PRED)" HA 115 0.329 1 30 1 5 1 "RMS(OBS, PRED)" N 90 2.886 1 31 1 6 1 "RMS(OBS, PRED)" C 100 1.270 1 32 1 6 1 "RMS(OBS, PRED)" CA 100 1.176 1 33 1 6 1 "RMS(OBS, PRED)" CB 81 1.111 1 34 1 6 1 "RMS(OBS, PRED)" H 92 0.542 1 35 1 6 1 "RMS(OBS, PRED)" HA 115 0.335 1 36 1 6 1 "RMS(OBS, PRED)" N 90 2.952 1 37 1 7 1 "RMS(OBS, PRED)" C 100 1.152 1 38 1 7 1 "RMS(OBS, PRED)" CA 100 1.105 1 39 1 7 1 "RMS(OBS, PRED)" CB 81 1.100 1 40 1 7 1 "RMS(OBS, PRED)" H 92 0.553 1 41 1 7 1 "RMS(OBS, PRED)" HA 115 0.302 1 42 1 7 1 "RMS(OBS, PRED)" N 90 2.802 1 43 1 8 1 "RMS(OBS, PRED)" C 100 1.213 1 44 1 8 1 "RMS(OBS, PRED)" CA 100 1.152 1 45 1 8 1 "RMS(OBS, PRED)" CB 81 1.143 1 46 1 8 1 "RMS(OBS, PRED)" H 92 0.560 1 47 1 8 1 "RMS(OBS, PRED)" HA 115 0.340 1 48 1 8 1 "RMS(OBS, PRED)" N 90 2.834 1 49 1 9 1 "RMS(OBS, PRED)" C 100 1.212 1 50 1 9 1 "RMS(OBS, PRED)" CA 100 1.191 1 51 1 9 1 "RMS(OBS, PRED)" CB 81 1.231 1 52 1 9 1 "RMS(OBS, PRED)" H 92 0.555 1 53 1 9 1 "RMS(OBS, PRED)" HA 115 0.342 1 54 1 9 1 "RMS(OBS, PRED)" N 90 2.908 1 55 1 10 1 "RMS(OBS, PRED)" C 100 1.139 1 56 1 10 1 "RMS(OBS, PRED)" CA 100 1.027 1 57 1 10 1 "RMS(OBS, PRED)" CB 81 1.079 1 58 1 10 1 "RMS(OBS, PRED)" H 92 0.555 1 59 1 10 1 "RMS(OBS, PRED)" HA 115 0.297 1 60 1 10 1 "RMS(OBS, PRED)" N 90 2.797 1 61 1 11 1 "RMS(OBS, PRED)" C 100 1.206 1 62 1 11 1 "RMS(OBS, PRED)" CA 100 1.068 1 63 1 11 1 "RMS(OBS, PRED)" CB 81 1.086 1 64 1 11 1 "RMS(OBS, PRED)" H 92 0.569 1 65 1 11 1 "RMS(OBS, PRED)" HA 115 0.311 1 66 1 11 1 "RMS(OBS, PRED)" N 90 2.602 1 67 1 12 1 "RMS(OBS, PRED)" C 100 1.156 1 68 1 12 1 "RMS(OBS, PRED)" CA 100 1.137 1 69 1 12 1 "RMS(OBS, PRED)" CB 81 1.292 1 70 1 12 1 "RMS(OBS, PRED)" H 92 0.580 1 71 1 12 1 "RMS(OBS, PRED)" HA 115 0.330 1 72 1 12 1 "RMS(OBS, PRED)" N 90 2.701 1 73 1 13 1 "RMS(OBS, PRED)" C 100 1.098 1 74 1 13 1 "RMS(OBS, PRED)" CA 100 0.999 1 75 1 13 1 "RMS(OBS, PRED)" CB 81 1.035 1 76 1 13 1 "RMS(OBS, PRED)" H 92 0.541 1 77 1 13 1 "RMS(OBS, PRED)" HA 115 0.298 1 78 1 13 1 "RMS(OBS, PRED)" N 90 2.684 1 79 1 14 1 "RMS(OBS, PRED)" C 100 1.200 1 80 1 14 1 "RMS(OBS, PRED)" CA 100 1.005 1 81 1 14 1 "RMS(OBS, PRED)" CB 81 0.986 1 82 1 14 1 "RMS(OBS, PRED)" H 92 0.560 1 83 1 14 1 "RMS(OBS, PRED)" HA 115 0.277 1 84 1 14 1 "RMS(OBS, PRED)" N 90 2.875 1 85 1 15 1 "RMS(OBS, PRED)" C 100 1.178 1 86 1 15 1 "RMS(OBS, PRED)" CA 100 1.125 1 87 1 15 1 "RMS(OBS, PRED)" CB 81 1.071 1 88 1 15 1 "RMS(OBS, PRED)" H 92 0.542 1 89 1 15 1 "RMS(OBS, PRED)" HA 115 0.313 1 90 1 15 1 "RMS(OBS, PRED)" N 90 2.750 1 91 1 16 1 "RMS(OBS, PRED)" C 100 1.192 1 92 1 16 1 "RMS(OBS, PRED)" CA 100 1.211 1 93 1 16 1 "RMS(OBS, PRED)" CB 81 0.927 1 94 1 16 1 "RMS(OBS, PRED)" H 92 0.575 1 95 1 16 1 "RMS(OBS, PRED)" HA 115 0.293 1 96 1 16 1 "RMS(OBS, PRED)" N 90 2.861 1 97 1 17 1 "RMS(OBS, PRED)" C 100 1.189 1 98 1 17 1 "RMS(OBS, PRED)" CA 100 1.057 1 99 1 17 1 "RMS(OBS, PRED)" CB 81 1.126 1 100 1 17 1 "RMS(OBS, PRED)" H 92 0.550 1 101 1 17 1 "RMS(OBS, PRED)" HA 115 0.308 1 102 1 17 1 "RMS(OBS, PRED)" N 90 2.793 1 103 1 18 1 "RMS(OBS, PRED)" C 100 1.174 1 104 1 18 1 "RMS(OBS, PRED)" CA 100 1.108 1 105 1 18 1 "RMS(OBS, PRED)" CB 81 1.061 1 106 1 18 1 "RMS(OBS, PRED)" H 92 0.548 1 107 1 18 1 "RMS(OBS, PRED)" HA 115 0.293 1 108 1 18 1 "RMS(OBS, PRED)" N 90 2.817 1 109 1 19 1 "RMS(OBS, PRED)" C 100 1.185 1 110 1 19 1 "RMS(OBS, PRED)" CA 100 1.155 1 111 1 19 1 "RMS(OBS, PRED)" CB 81 0.973 1 112 1 19 1 "RMS(OBS, PRED)" H 92 0.549 1 113 1 19 1 "RMS(OBS, PRED)" HA 115 0.306 1 114 1 19 1 "RMS(OBS, PRED)" N 90 2.998 1 115 1 20 1 "RMS(OBS, PRED)" C 100 1.180 1 116 1 20 1 "RMS(OBS, PRED)" CA 100 1.185 1 117 1 20 1 "RMS(OBS, PRED)" CB 81 1.087 1 118 1 20 1 "RMS(OBS, PRED)" H 92 0.555 1 119 1 20 1 "RMS(OBS, PRED)" HA 115 0.304 1 120 1 20 1 "RMS(OBS, PRED)" N 90 2.412 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 1 . 1 1 A 2 2 SER HA H 2 4.493 4.782 -0.289 2 1 4 . 1 1 A 2 2 SER C C 2 174.671 173.977 0.694 2 1 5 . 1 1 A 2 2 SER CA C 2 58.438 57.905 0.533 2 1 6 . 1 1 A 2 2 SER CB C 2 63.558 64.162 -0.604 2 1 7 . 1 1 A 3 3 SER H H 3 8.324 8.436 -0.112 2 1 8 . 1 1 A 3 3 SER HA H 3 4.493 4.635 -0.142 2 1 11 . 1 1 A 3 3 SER C C 3 173.918 174.326 -0.408 2 1 12 . 1 1 A 3 3 SER CA C 3 58.455 58.564 -0.109 2 1 13 . 1 1 A 3 3 SER CB C 3 63.929 64.318 -0.389 2 1 14 . 1 1 A 3 3 SER N N 3 117.862 118.437 -0.575 2 1 15 . 1 1 A 4 4 GLY H H 4 8.045 8.313 -0.268 2 1 16 . 1 1 A 4 4 GLY C C 4 179.001 173.324 5.677 2 1 17 . 1 1 A 4 4 GLY CA C 4 46.201 45.301 0.900 2 1 18 . 1 1 A 4 4 GLY N N 4 116.862 111.613 5.249 2 1 19 . 1 1 A 6 6 SER HA H 6 4.461 4.726 -0.265 2 1 22 . 1 1 A 6 6 SER C C 6 175.170 174.382 0.788 2 1 23 . 1 1 A 6 6 SER CA C 6 58.755 58.362 0.393 2 1 24 . 1 1 A 6 6 SER CB C 6 63.862 64.416 -0.554 2 1 25 . 1 1 A 7 7 GLY H H 7 8.432 8.344 0.088 2 1 26 . 1 1 A 7 7 GLY HA2 H 7 3.966 4.078 -0.112 2 1 27 . 1 1 A 7 7 GLY C C 7 174.309 173.799 0.510 2 1 28 . 1 1 A 7 7 GLY CA C 7 45.408 45.105 0.303 2 1 29 . 1 1 A 7 7 GLY N N 7 110.678 111.890 -1.212 2 1 30 . 1 1 A 8 8 GLN H H 8 8.210 8.324 -0.114 2 1 31 . 1 1 A 8 8 GLN HA H 8 4.324 4.609 -0.285 2 1 38 . 1 1 A 8 8 GLN C C 8 176.037 175.177 0.860 2 1 39 . 1 1 A 8 8 GLN CA C 8 55.970 55.508 0.463 2 1 40 . 1 1 A 8 8 GLN CB C 8 29.562 30.158 -0.596 2 1 42 . 1 1 A 8 8 GLN N N 8 119.977 120.322 -0.345 2 1 44 . 1 1 A 9 9 ALA H H 9 8.394 8.348 0.046 2 1 45 . 1 1 A 9 9 ALA HA H 9 4.319 4.632 -0.313 2 1 49 . 1 1 A 9 9 ALA C C 9 177.635 176.760 0.875 2 1 50 . 1 1 A 9 9 ALA CA C 9 52.531 51.998 0.533 2 1 51 . 1 1 A 9 9 ALA CB C 9 19.136 20.405 -1.269 2 1 52 . 1 1 A 9 9 ALA N N 9 125.301 125.397 -0.096 2 1 53 . 1 1 A 10 10 SER H H 10 8.259 8.563 -0.304 2 1 54 . 1 1 A 10 10 SER HA H 10 4.440 4.679 -0.239 2 1 57 . 1 1 A 10 10 SER C C 10 175.138 174.882 0.256 2 1 58 . 1 1 A 10 10 SER CA C 10 58.649 58.560 0.089 2 1 59 . 1 1 A 10 10 SER CB C 10 63.888 64.154 -0.266 2 1 60 . 1 1 A 10 10 SER N N 10 114.874 116.679 -1.805 2 1 61 . 1 1 A 11 11 GLY H H 11 8.493 8.344 0.149 2 1 62 . 1 1 A 11 11 GLY HA2 H 11 4.039 3.808 0.231 2 1 63 . 1 1 A 11 11 GLY HA3 H 11 4.039 3.926 0.113 2 1 64 . 1 1 A 11 11 GLY C C 11 173.678 173.971 -0.293 2 1 65 . 1 1 A 11 11 GLY CA C 11 45.531 45.950 -0.419 2 1 66 . 1 1 A 11 11 GLY N N 11 110.301 111.689 -1.388 2 1 67 . 1 1 A 12 12 HIS H H 12 7.970 7.574 0.396 2 1 68 . 1 1 A 12 12 HIS HA H 12 5.442 4.658 0.784 2 1 73 . 1 1 A 12 12 HIS C C 12 175.304 174.872 0.432 2 1 74 . 1 1 A 12 12 HIS CA C 12 55.095 56.047 -0.952 2 1 75 . 1 1 A 12 12 HIS CB C 12 31.849 31.255 0.594 2 1 78 . 1 1 A 12 12 HIS N N 12 119.432 118.893 0.539 2 1 79 . 1 1 A 13 13 PHE H H 13 8.940 8.574 0.366 2 1 80 . 1 1 A 13 13 PHE HA H 13 5.072 5.461 -0.389 2 1 88 . 1 1 A 13 13 PHE C C 13 172.688 173.294 -0.606 2 1 89 . 1 1 A 13 13 PHE CA C 13 56.269 55.299 0.970 2 1 90 . 1 1 A 13 13 PHE CB C 13 40.835 41.978 -1.143 2 1 96 . 1 1 A 13 13 PHE N N 13 118.413 119.204 -0.791 2 1 97 . 1 1 A 14 14 SER H H 14 8.709 9.038 -0.329 2 1 98 . 1 1 A 14 14 SER HA H 14 5.580 5.389 0.191 2 1 101 . 1 1 A 14 14 SER C C 14 174.119 173.758 0.361 2 1 102 . 1 1 A 14 14 SER CA C 14 56.974 56.044 0.930 2 1 103 . 1 1 A 14 14 SER CB C 14 65.778 65.958 -0.180 2 1 104 . 1 1 A 14 14 SER N N 14 115.082 114.640 0.442 2 1 105 . 1 1 A 15 15 VAL H H 15 8.801 8.454 0.347 2 1 106 . 1 1 A 15 15 VAL HA H 15 4.373 4.732 -0.359 2 1 114 . 1 1 A 15 15 VAL C C 15 173.002 174.637 -1.635 2 1 115 . 1 1 A 15 15 VAL CA C 15 61.312 61.258 0.054 2 1 116 . 1 1 A 15 15 VAL CB C 15 36.461 34.205 2.256 2 1 119 . 1 1 A 15 15 VAL N N 15 121.148 121.859 -0.711 2 1 120 . 1 1 A 16 16 GLU H H 16 8.383 8.968 -0.585 2 1 121 . 1 1 A 16 16 GLU HA H 16 5.299 5.343 -0.044 2 1 126 . 1 1 A 16 16 GLU C C 16 175.408 175.460 -0.052 2 1 127 . 1 1 A 16 16 GLU CA C 16 54.594 55.116 -0.522 2 1 128 . 1 1 A 16 16 GLU CB C 16 31.993 32.008 -0.015 2 1 130 . 1 1 A 16 16 GLU N N 16 125.925 127.408 -1.483 2 1 131 . 1 1 A 17 17 LEU H H 17 9.172 8.732 0.440 2 1 132 . 1 1 A 17 17 LEU HA H 17 5.000 5.107 -0.107 2 1 142 . 1 1 A 17 17 LEU C C 17 175.596 175.903 -0.307 2 1 143 . 1 1 A 17 17 LEU CA C 17 52.919 53.552 -0.633 2 1 144 . 1 1 A 17 17 LEU CB C 17 47.317 46.442 0.875 2 1 148 . 1 1 A 17 17 LEU N N 17 122.761 125.714 -2.953 2 1 149 . 1 1 A 18 18 VAL H H 18 8.546 8.871 -0.325 2 1 150 . 1 1 A 18 18 VAL HA H 18 4.831 4.724 0.107 2 1 158 . 1 1 A 18 18 VAL C C 18 175.783 175.984 -0.201 2 1 159 . 1 1 A 18 18 VAL CA C 18 61.277 61.215 0.062 2 1 160 . 1 1 A 18 18 VAL CB C 18 33.600 33.744 -0.144 2 1 163 . 1 1 A 18 18 VAL N N 18 122.523 122.399 0.124 2 1 164 . 1 1 A 19 19 ARG H H 19 8.495 8.209 0.286 2 1 165 . 1 1 A 19 19 ARG HA H 19 2.868 3.030 -0.162 2 1 172 . 1 1 A 19 19 ARG C C 19 176.248 175.973 0.275 2 1 173 . 1 1 A 19 19 ARG CA C 19 58.138 57.018 1.120 2 1 174 . 1 1 A 19 19 ARG CB C 19 30.839 30.519 0.320 2 1 177 . 1 1 A 19 19 ARG N N 19 127.015 128.019 -1.004 2 1 178 . 1 1 A 20 20 GLY H H 20 7.244 8.137 -0.893 2 1 179 . 1 1 A 20 20 GLY HA2 H 20 4.504 4.006 0.498 2 1 180 . 1 1 A 20 20 GLY HA3 H 20 3.750 4.022 -0.272 2 1 181 . 1 1 A 20 20 GLY C C 20 175.286 173.408 1.878 2 1 182 . 1 1 A 20 20 GLY CA C 20 44.131 44.926 -0.795 2 1 183 . 1 1 A 20 20 GLY N N 20 112.266 112.672 -0.406 2 1 184 . 1 1 A 21 21 TYR HA H 21 4.219 4.479 -0.260 2 1 191 . 1 1 A 21 21 TYR C C 21 176.309 175.314 0.995 2 1 192 . 1 1 A 21 21 TYR CA C 21 60.518 58.332 2.186 2 1 193 . 1 1 A 21 21 TYR CB C 21 37.826 39.015 -1.189 2 1 198 . 1 1 A 22 22 ALA H H 22 8.272 8.306 -0.034 2 1 199 . 1 1 A 22 22 ALA HA H 22 4.404 4.018 0.386 2 1 203 . 1 1 A 22 22 ALA C C 22 177.312 176.868 0.444 2 1 204 . 1 1 A 22 22 ALA CA C 22 50.816 52.489 -1.673 2 1 205 . 1 1 A 22 22 ALA CB C 22 18.455 18.480 -0.025 2 1 206 . 1 1 A 22 22 ALA N N 22 121.539 125.582 -4.043 2 1 207 . 1 1 A 23 23 GLY H H 23 7.495 8.238 -0.743 2 1 208 . 1 1 A 23 23 GLY HA2 H 23 4.541 3.894 0.647 2 1 209 . 1 1 A 23 23 GLY HA3 H 23 3.238 3.985 -0.747 2 1 210 . 1 1 A 23 23 GLY C C 23 175.043 174.787 0.256 2 1 211 . 1 1 A 23 23 GLY CA C 23 44.897 45.125 -0.228 2 1 212 . 1 1 A 23 23 GLY N N 23 106.744 106.408 0.336 2 1 213 . 1 1 A 24 24 PHE H H 24 7.242 8.759 -1.517 2 1 214 . 1 1 A 24 24 PHE HA H 24 4.369 4.523 -0.154 2 1 222 . 1 1 A 24 24 PHE C C 24 175.902 176.090 -0.188 2 1 223 . 1 1 A 24 24 PHE CA C 24 60.347 58.336 2.011 2 1 224 . 1 1 A 24 24 PHE CB C 24 39.575 39.762 -0.187 2 1 230 . 1 1 A 25 25 GLY H H 25 8.820 8.359 0.461 2 1 231 . 1 1 A 25 25 GLY HA2 H 25 4.134 4.006 0.128 2 1 232 . 1 1 A 25 25 GLY HA3 H 25 3.913 4.012 -0.099 2 1 233 . 1 1 A 25 25 GLY C C 25 174.585 174.377 0.208 2 1 234 . 1 1 A 25 25 GLY CA C 25 47.030 46.404 0.626 2 1 235 . 1 1 A 25 25 GLY N N 25 107.899 109.301 -1.402 2 1 236 . 1 1 A 26 26 LEU H H 26 7.991 7.824 0.167 2 1 237 . 1 1 A 26 26 LEU HA H 26 4.990 4.835 0.155 2 1 247 . 1 1 A 26 26 LEU C C 26 174.135 175.103 -0.968 2 1 248 . 1 1 A 26 26 LEU CA C 26 53.906 53.621 0.285 2 1 249 . 1 1 A 26 26 LEU CB C 26 45.939 44.344 1.595 2 1 253 . 1 1 A 26 26 LEU N N 26 122.133 122.663 -0.530 2 1 254 . 1 1 A 27 27 THR H H 27 8.657 8.759 -0.102 2 1 255 . 1 1 A 27 27 THR HA H 27 4.662 5.169 -0.507 2 1 260 . 1 1 A 27 27 THR C C 27 174.074 173.485 0.589 2 1 261 . 1 1 A 27 27 THR CA C 27 61.382 61.413 -0.031 2 1 262 . 1 1 A 27 27 THR CB C 27 70.010 71.743 -1.733 2 1 264 . 1 1 A 27 27 THR N N 27 121.262 122.624 -1.362 2 1 265 . 1 1 A 28 28 LEU H H 28 9.692 8.981 0.711 2 1 266 . 1 1 A 28 28 LEU HA H 28 5.297 5.114 0.183 2 1 276 . 1 1 A 28 28 LEU C C 28 175.414 175.905 -0.491 2 1 277 . 1 1 A 28 28 LEU CA C 28 53.219 53.192 0.027 2 1 278 . 1 1 A 28 28 LEU CB C 28 45.049 44.512 0.537 2 1 282 . 1 1 A 28 28 LEU N N 28 128.374 125.594 2.780 2 1 283 . 1 1 A 29 29 GLY H H 29 8.818 8.664 0.154 2 1 284 . 1 1 A 29 29 GLY HA2 H 29 4.089 4.126 -0.037 2 1 285 . 1 1 A 29 29 GLY HA3 H 29 3.664 4.163 -0.499 2 1 286 . 1 1 A 29 29 GLY C C 29 171.700 174.271 -2.571 2 1 287 . 1 1 A 29 29 GLY CA C 29 44.086 44.772 -0.686 2 1 288 . 1 1 A 29 29 GLY N N 29 106.574 111.953 -5.379 2 1 289 . 1 1 A 30 30 GLY H H 30 8.339 8.224 0.115 2 1 290 . 1 1 A 30 30 GLY HA2 H 30 4.434 4.049 0.385 2 1 291 . 1 1 A 30 30 GLY HA3 H 30 3.554 4.067 -0.513 2 1 292 . 1 1 A 30 30 GLY C C 30 174.290 173.709 0.581 2 1 293 . 1 1 A 30 30 GLY CA C 30 44.879 44.698 0.181 2 1 294 . 1 1 A 30 30 GLY N N 30 107.245 111.834 -4.589 2 1 295 . 1 1 A 31 31 GLY H H 31 7.292 8.537 -1.245 2 1 296 . 1 1 A 31 31 GLY HA2 H 31 4.439 4.049 0.390 2 1 297 . 1 1 A 31 31 GLY HA3 H 31 4.000 4.077 -0.077 2 1 298 . 1 1 A 31 31 GLY C C 31 174.513 173.539 0.974 2 1 299 . 1 1 A 31 31 GLY CA C 31 43.589 44.898 -1.309 2 1 300 . 1 1 A 31 31 GLY N N 31 107.984 108.586 -0.602 2 1 301 . 1 1 A 32 32 ARG H H 32 8.065 8.375 -0.310 2 1 302 . 1 1 A 32 32 ARG HA H 32 4.380 4.502 -0.122 2 1 309 . 1 1 A 32 32 ARG C C 32 176.139 174.913 1.226 2 1 310 . 1 1 A 32 32 ARG CA C 32 57.354 55.992 1.362 2 1 311 . 1 1 A 32 32 ARG CB C 32 30.080 30.973 -0.893 2 1 314 . 1 1 A 32 32 ARG N N 32 121.733 121.781 -0.048 2 1 315 . 1 1 A 33 33 ASP H H 33 8.916 8.764 0.152 2 1 316 . 1 1 A 33 33 ASP HA H 33 4.799 5.019 -0.220 2 1 319 . 1 1 A 33 33 ASP C C 33 176.381 176.743 -0.362 2 1 320 . 1 1 A 33 33 ASP CA C 33 53.783 52.732 1.051 2 1 321 . 1 1 A 33 33 ASP CB C 33 43.712 43.557 0.155 2 1 322 . 1 1 A 33 33 ASP N N 33 126.313 126.730 -0.417 2 1 323 . 1 1 A 34 34 VAL H H 34 8.372 8.709 -0.337 2 1 324 . 1 1 A 34 34 VAL HA H 34 3.943 3.834 0.109 2 1 329 . 1 1 A 34 34 VAL C C 34 176.591 176.768 -0.177 2 1 330 . 1 1 A 34 34 VAL CA C 34 64.644 65.032 -0.388 2 1 331 . 1 1 A 34 34 VAL CB C 34 31.796 31.792 0.004 2 1 333 . 1 1 A 34 34 VAL N N 34 121.465 123.476 -2.011 2 1 334 . 1 1 A 35 35 ALA H H 35 8.577 7.793 0.784 2 1 335 . 1 1 A 35 35 ALA HA H 35 4.386 4.419 -0.033 2 1 339 . 1 1 A 35 35 ALA C C 35 177.532 176.846 0.686 2 1 340 . 1 1 A 35 35 ALA CA C 35 52.589 51.919 0.670 2 1 341 . 1 1 A 35 35 ALA CB C 35 19.095 19.766 -0.671 2 1 342 . 1 1 A 35 35 ALA N N 35 123.222 121.587 1.635 2 1 343 . 1 1 A 36 36 GLY H H 36 7.816 7.412 0.404 2 1 344 . 1 1 A 36 36 GLY HA2 H 36 4.274 4.051 0.223 2 1 345 . 1 1 A 36 36 GLY HA3 H 36 3.723 4.053 -0.330 2 1 346 . 1 1 A 36 36 GLY C C 36 172.610 171.979 0.631 2 1 347 . 1 1 A 36 36 GLY CA C 36 45.161 45.299 -0.138 2 1 348 . 1 1 A 36 36 GLY N N 36 107.925 105.460 2.465 2 1 349 . 1 1 A 37 37 ASP H H 37 8.604 8.712 -0.108 2 1 350 . 1 1 A 37 37 ASP HA H 37 4.810 5.402 -0.592 2 1 353 . 1 1 A 37 37 ASP C C 37 176.081 174.973 1.108 2 1 354 . 1 1 A 37 37 ASP CA C 37 54.700 53.022 1.678 2 1 355 . 1 1 A 37 37 ASP CB C 37 41.076 42.654 -1.578 2 1 356 . 1 1 A 37 37 ASP N N 37 124.969 120.453 4.516 2 1 357 . 1 1 A 38 38 THR H H 38 7.679 8.692 -1.013 2 1 358 . 1 1 A 38 38 THR HA H 38 4.704 4.997 -0.293 2 1 363 . 1 1 A 38 38 THR C C 38 172.712 171.663 1.049 2 1 364 . 1 1 A 38 38 THR CA C 38 59.810 58.435 1.375 2 1 365 . 1 1 A 38 38 THR CB C 38 70.420 70.375 0.045 2 1 367 . 1 1 A 38 38 THR N N 38 116.498 114.547 1.951 2 1 368 . 1 1 A 39 39 PRO HA H 39 4.305 4.613 -0.308 2 1 375 . 1 1 A 39 39 PRO C C 39 176.355 176.924 -0.569 2 1 376 . 1 1 A 39 39 PRO CA C 39 63.304 62.744 0.560 2 1 377 . 1 1 A 39 39 PRO CB C 39 32.703 31.771 0.932 2 1 380 . 1 1 A 40 40 LEU H H 40 8.247 8.173 0.074 2 1 381 . 1 1 A 40 40 LEU HA H 40 4.704 4.258 0.446 2 1 391 . 1 1 A 40 40 LEU C C 40 176.631 177.245 -0.614 2 1 392 . 1 1 A 40 40 LEU CA C 40 55.352 55.295 0.057 2 1 393 . 1 1 A 40 40 LEU CB C 40 42.524 42.285 0.239 2 1 397 . 1 1 A 40 40 LEU N N 40 125.558 124.071 1.487 2 1 398 . 1 1 A 41 41 ALA H H 41 8.856 8.639 0.217 2 1 399 . 1 1 A 41 41 ALA HA H 41 5.465 5.126 0.339 2 1 403 . 1 1 A 41 41 ALA C C 41 176.658 176.305 0.353 2 1 404 . 1 1 A 41 41 ALA CA C 41 50.503 51.240 -0.737 2 1 405 . 1 1 A 41 41 ALA CB C 41 24.074 22.889 1.185 2 1 406 . 1 1 A 41 41 ALA N N 41 128.426 125.868 2.558 2 1 407 . 1 1 A 42 42 VAL H H 42 9.160 8.648 0.512 2 1 408 . 1 1 A 42 42 VAL HA H 42 3.803 4.107 -0.304 2 1 416 . 1 1 A 42 42 VAL C C 42 176.499 175.725 0.774 2 1 417 . 1 1 A 42 42 VAL CA C 42 64.196 63.722 0.474 2 1 418 . 1 1 A 42 42 VAL CB C 42 31.773 31.969 -0.196 2 1 421 . 1 1 A 42 42 VAL N N 42 119.342 122.980 -3.638 2 1 422 . 1 1 A 43 43 ARG H H 43 9.385 9.217 0.168 2 1 423 . 1 1 A 43 43 ARG HA H 43 4.527 4.425 0.102 2 1 430 . 1 1 A 43 43 ARG C C 43 175.332 175.927 -0.595 2 1 431 . 1 1 A 43 43 ARG CA C 43 55.340 57.180 -1.840 2 1 432 . 1 1 A 43 43 ARG CB C 43 32.242 31.950 0.292 2 1 435 . 1 1 A 43 43 ARG N N 43 131.043 128.505 2.538 2 1 436 . 1 1 A 44 44 GLY H H 44 7.872 7.762 0.110 2 1 437 . 1 1 A 44 44 GLY HA2 H 44 4.155 4.193 -0.038 2 1 438 . 1 1 A 44 44 GLY HA3 H 44 3.765 4.195 -0.430 2 1 439 . 1 1 A 44 44 GLY C C 44 170.284 171.792 -1.508 2 1 440 . 1 1 A 44 44 GLY CA C 44 45.602 44.020 1.582 2 1 441 . 1 1 A 44 44 GLY N N 44 107.517 107.635 -0.118 2 1 442 . 1 1 A 45 45 LEU H H 45 8.455 9.518 -1.063 2 1 443 . 1 1 A 45 45 LEU HA H 45 4.915 4.919 -0.004 2 1 453 . 1 1 A 45 45 LEU C C 45 175.215 176.821 -1.606 2 1 454 . 1 1 A 45 45 LEU CA C 45 52.795 53.894 -1.099 2 1 455 . 1 1 A 45 45 LEU CB C 45 44.824 43.431 1.393 2 1 459 . 1 1 A 45 45 LEU N N 45 121.812 123.788 -1.976 2 1 460 . 1 1 A 46 46 LEU H H 46 7.582 8.806 -1.224 2 1 461 . 1 1 A 46 46 LEU HA H 46 4.208 4.342 -0.134 2 1 471 . 1 1 A 46 46 LEU C C 46 177.935 176.496 1.439 2 1 472 . 1 1 A 46 46 LEU CA C 46 54.984 56.009 -1.025 2 1 473 . 1 1 A 46 46 LEU CB C 46 42.815 42.727 0.088 2 1 477 . 1 1 A 46 46 LEU N N 46 124.670 128.559 -3.889 2 1 478 . 1 1 A 47 47 LYS H H 47 8.959 8.628 0.331 2 1 479 . 1 1 A 47 47 LYS HA H 47 3.875 3.966 -0.091 2 1 488 . 1 1 A 47 47 LYS C C 47 176.699 177.016 -0.317 2 1 489 . 1 1 A 47 47 LYS CA C 47 58.861 57.704 1.157 2 1 490 . 1 1 A 47 47 LYS CB C 47 32.076 32.340 -0.264 2 1 494 . 1 1 A 47 47 LYS N N 47 129.726 127.024 2.702 2 1 495 . 1 1 A 48 48 ASP H H 48 8.845 9.012 -0.167 2 1 496 . 1 1 A 48 48 ASP HA H 48 4.395 4.296 0.099 2 1 499 . 1 1 A 48 48 ASP C C 48 175.442 175.411 0.031 2 1 500 . 1 1 A 48 48 ASP CA C 48 56.632 55.174 1.458 2 1 501 . 1 1 A 48 48 ASP CB C 48 39.740 39.456 0.284 2 1 502 . 1 1 A 48 48 ASP N N 48 119.883 124.735 -4.852 2 1 503 . 1 1 A 49 49 GLY H H 49 7.947 7.880 0.067 2 1 504 . 1 1 A 49 49 GLY HA2 H 49 4.578 4.146 0.432 2 1 505 . 1 1 A 49 49 GLY HA3 H 49 3.748 4.162 -0.414 2 1 506 . 1 1 A 49 49 GLY C C 49 172.008 174.738 -2.730 2 1 507 . 1 1 A 49 49 GLY CA C 49 45.000 43.946 1.054 2 1 508 . 1 1 A 49 49 GLY N N 49 106.565 107.896 -1.331 2 1 509 . 1 1 A 50 50 PRO HA H 50 4.268 4.393 -0.125 2 1 516 . 1 1 A 50 50 PRO C C 50 179.273 178.523 0.750 2 1 517 . 1 1 A 50 50 PRO CA C 50 65.791 65.100 0.691 2 1 518 . 1 1 A 50 50 PRO CB C 50 32.532 32.017 0.515 2 1 521 . 1 1 A 51 51 ALA H H 51 7.805 8.189 -0.384 2 1 522 . 1 1 A 51 51 ALA HA H 51 4.167 4.147 0.020 2 1 526 . 1 1 A 51 51 ALA C C 51 178.947 179.857 -0.911 2 1 527 . 1 1 A 51 51 ALA CA C 51 55.079 55.126 -0.047 2 1 528 . 1 1 A 51 51 ALA CB C 51 18.988 18.573 0.415 2 1 529 . 1 1 A 51 51 ALA N N 51 119.037 119.375 -0.338 2 1 530 . 1 1 A 52 52 GLN H H 52 9.614 7.981 1.633 2 1 531 . 1 1 A 52 52 GLN HA H 52 3.969 4.036 -0.067 2 1 538 . 1 1 A 52 52 GLN C C 52 178.509 178.305 0.204 2 1 539 . 1 1 A 52 52 GLN CA C 52 59.529 59.057 0.472 2 1 540 . 1 1 A 52 52 GLN CB C 52 29.107 28.479 0.628 2 1 542 . 1 1 A 52 52 GLN N N 52 122.017 117.970 4.047 2 1 544 . 1 1 A 53 53 ARG H H 53 8.524 8.086 0.438 2 1 545 . 1 1 A 53 53 ARG HA H 53 3.996 4.070 -0.074 2 1 552 . 1 1 A 53 53 ARG C C 53 178.479 179.039 -0.560 2 1 553 . 1 1 A 53 53 ARG CA C 53 58.825 59.469 -0.644 2 1 554 . 1 1 A 53 53 ARG CB C 53 30.546 30.229 0.317 2 1 557 . 1 1 A 53 53 ARG N N 53 116.703 118.725 -2.022 2 1 558 . 1 1 A 54 54 CYS H H 54 7.589 7.683 -0.094 2 1 559 . 1 1 A 54 54 CYS HA H 54 4.641 4.330 0.311 2 1 562 . 1 1 A 54 54 CYS C C 54 175.840 175.375 0.465 2 1 563 . 1 1 A 54 54 CYS CA C 54 59.724 60.292 -0.568 2 1 564 . 1 1 A 54 54 CYS CB C 54 27.419 28.310 -0.891 2 1 565 . 1 1 A 54 54 CYS N N 54 113.424 117.376 -3.952 2 1 566 . 1 1 A 55 55 GLY H H 55 7.436 7.698 -0.262 2 1 567 . 1 1 A 55 55 GLY HA2 H 55 4.082 3.940 0.142 2 1 568 . 1 1 A 55 55 GLY HA3 H 55 4.082 3.949 0.133 2 1 569 . 1 1 A 55 55 GLY C C 55 174.435 175.569 -1.134 2 1 570 . 1 1 A 55 55 GLY CA C 55 46.977 45.711 1.266 2 1 571 . 1 1 A 55 55 GLY N N 55 109.572 108.954 0.618 2 1 572 . 1 1 A 56 56 ARG H H 56 7.860 8.164 -0.304 2 1 573 . 1 1 A 56 56 ARG HA H 56 4.472 4.089 0.383 2 1 580 . 1 1 A 56 56 ARG C C 56 174.959 176.512 -1.553 2 1 581 . 1 1 A 56 56 ARG CA C 56 55.687 58.204 -2.517 2 1 582 . 1 1 A 56 56 ARG CB C 56 32.785 30.678 2.107 2 1 585 . 1 1 A 56 56 ARG N N 56 118.137 119.337 -1.200 2 1 586 . 1 1 A 57 57 LEU H H 57 8.219 7.934 0.285 2 1 587 . 1 1 A 57 57 LEU HA H 57 4.926 4.784 0.142 2 1 597 . 1 1 A 57 57 LEU C C 57 175.333 175.804 -0.471 2 1 598 . 1 1 A 57 57 LEU CA C 57 53.043 53.597 -0.554 2 1 599 . 1 1 A 57 57 LEU CB C 57 46.459 43.469 2.990 2 1 603 . 1 1 A 57 57 LEU N N 57 117.496 120.164 -2.668 2 1 604 . 1 1 A 58 58 GLU H H 58 9.053 8.961 0.092 2 1 605 . 1 1 A 58 58 GLU HA H 58 4.460 4.902 -0.442 2 1 610 . 1 1 A 58 58 GLU C C 58 175.683 176.148 -0.465 2 1 611 . 1 1 A 58 58 GLU CA C 58 54.144 54.237 -0.093 2 1 612 . 1 1 A 58 58 GLU CB C 58 33.286 33.620 -0.335 2 1 614 . 1 1 A 58 58 GLU N N 58 121.883 122.897 -1.014 2 1 615 . 1 1 A 59 59 VAL H H 59 8.727 8.580 0.147 2 1 616 . 1 1 A 59 59 VAL HA H 59 3.213 3.593 -0.380 2 1 624 . 1 1 A 59 59 VAL C C 59 177.728 177.034 0.694 2 1 625 . 1 1 A 59 59 VAL CA C 59 65.823 65.332 0.491 2 1 626 . 1 1 A 59 59 VAL CB C 59 31.151 31.306 -0.155 2 1 629 . 1 1 A 59 59 VAL N N 59 121.698 122.462 -0.764 2 1 630 . 1 1 A 60 60 GLY H H 60 9.172 8.607 0.565 2 1 631 . 1 1 A 60 60 GLY HA2 H 60 4.500 4.003 0.497 2 1 632 . 1 1 A 60 60 GLY HA3 H 60 3.469 4.008 -0.539 2 1 633 . 1 1 A 60 60 GLY C C 60 173.646 174.162 -0.516 2 1 634 . 1 1 A 60 60 GLY CA C 60 44.148 45.037 -0.889 2 1 635 . 1 1 A 60 60 GLY N N 60 117.734 115.344 2.390 2 1 636 . 1 1 A 61 61 ASP H H 61 7.877 7.906 -0.029 2 1 637 . 1 1 A 61 61 ASP HA H 61 4.551 4.634 -0.083 2 1 640 . 1 1 A 61 61 ASP C C 61 175.437 175.332 0.105 2 1 641 . 1 1 A 61 61 ASP CA C 61 56.057 55.138 0.919 2 1 642 . 1 1 A 61 61 ASP CB C 61 40.660 41.691 -1.031 2 1 643 . 1 1 A 61 61 ASP N N 61 121.399 121.700 -0.301 2 1 644 . 1 1 A 62 62 LEU H H 62 8.773 8.571 0.202 2 1 645 . 1 1 A 62 62 LEU HA H 62 4.713 4.860 -0.147 2 1 655 . 1 1 A 62 62 LEU C C 62 176.560 175.833 0.727 2 1 656 . 1 1 A 62 62 LEU CA C 62 54.259 53.526 0.733 2 1 657 . 1 1 A 62 62 LEU CB C 62 42.022 43.289 -1.267 2 1 661 . 1 1 A 62 62 LEU N N 62 120.566 123.375 -2.809 2 1 662 . 1 1 A 63 63 VAL H H 63 8.121 8.799 -0.678 2 1 663 . 1 1 A 63 63 VAL HA H 63 4.113 4.176 -0.063 2 1 671 . 1 1 A 63 63 VAL C C 63 175.468 175.409 0.059 2 1 672 . 1 1 A 63 63 VAL CA C 63 61.763 62.298 -0.535 2 1 673 . 1 1 A 63 63 VAL CB C 63 31.413 32.165 -0.752 2 1 676 . 1 1 A 63 63 VAL N N 63 121.172 124.175 -3.003 2 1 677 . 1 1 A 64 64 LEU H H 64 9.077 8.712 0.365 2 1 678 . 1 1 A 64 64 LEU HA H 64 4.113 4.182 -0.069 2 1 688 . 1 1 A 64 64 LEU C C 64 177.611 176.232 1.379 2 1 689 . 1 1 A 64 64 LEU CA C 64 56.614 55.416 1.198 2 1 690 . 1 1 A 64 64 LEU CB C 64 42.994 42.438 0.556 2 1 694 . 1 1 A 64 64 LEU N N 64 130.175 127.743 2.432 2 1 695 . 1 1 A 65 65 HIS H H 65 7.510 7.265 0.245 2 1 696 . 1 1 A 65 65 HIS HA H 65 5.297 5.169 0.128 2 1 701 . 1 1 A 65 65 HIS C C 65 174.833 173.638 1.195 2 1 702 . 1 1 A 65 65 HIS CA C 65 55.715 54.513 1.202 2 1 703 . 1 1 A 65 65 HIS CB C 65 35.813 34.556 1.257 2 1 706 . 1 1 A 65 65 HIS N N 65 115.096 114.437 0.659 2 1 707 . 1 1 A 66 66 ILE H H 66 8.675 8.587 0.088 2 1 708 . 1 1 A 66 66 ILE HA H 66 4.320 4.402 -0.082 2 1 718 . 1 1 A 66 66 ILE C C 66 175.571 175.899 -0.328 2 1 719 . 1 1 A 66 66 ILE CA C 66 60.510 60.257 0.254 2 1 720 . 1 1 A 66 66 ILE CB C 66 41.360 40.697 0.663 2 1 724 . 1 1 A 66 66 ILE N N 66 119.474 119.517 -0.043 2 1 725 . 1 1 A 67 67 ASN H H 67 10.170 9.662 0.508 2 1 726 . 1 1 A 67 67 ASN HA H 67 4.595 4.595 -0.000 2 1 731 . 1 1 A 67 67 ASN C C 67 175.349 175.535 -0.186 2 1 732 . 1 1 A 67 67 ASN CA C 67 54.589 54.599 -0.010 2 1 733 . 1 1 A 67 67 ASN CB C 67 37.267 37.345 -0.078 2 1 734 . 1 1 A 67 67 ASN N N 67 129.216 127.301 1.915 2 1 736 . 1 1 A 68 68 GLY H H 68 9.396 8.768 0.628 2 1 737 . 1 1 A 68 68 GLY HA2 H 68 4.155 3.866 0.289 2 1 738 . 1 1 A 68 68 GLY HA3 H 68 3.585 3.887 -0.302 2 1 739 . 1 1 A 68 68 GLY C C 68 173.920 173.807 0.113 2 1 740 . 1 1 A 68 68 GLY CA C 68 45.267 46.009 -0.742 2 1 741 . 1 1 A 68 68 GLY N N 68 104.067 103.956 0.111 2 1 742 . 1 1 A 69 69 GLU H H 69 7.815 8.089 -0.274 2 1 743 . 1 1 A 69 69 GLU HA H 69 4.619 4.678 -0.059 2 1 748 . 1 1 A 69 69 GLU C C 69 175.696 175.351 0.345 2 1 749 . 1 1 A 69 69 GLU CA C 69 54.803 54.757 0.046 2 1 750 . 1 1 A 69 69 GLU CB C 69 32.281 32.163 0.118 2 1 752 . 1 1 A 69 69 GLU N N 69 121.337 120.194 1.143 2 1 753 . 1 1 A 70 70 SER H H 70 8.867 8.850 0.017 2 1 754 . 1 1 A 70 70 SER HA H 70 4.411 4.801 -0.390 2 1 757 . 1 1 A 70 70 SER C C 70 176.409 174.909 1.500 2 1 758 . 1 1 A 70 70 SER CA C 70 58.034 58.112 -0.078 2 1 759 . 1 1 A 70 70 SER CB C 70 63.432 63.534 -0.102 2 1 760 . 1 1 A 70 70 SER N N 70 119.566 119.062 0.504 2 1 761 . 1 1 A 71 71 THR H H 71 7.914 9.068 -1.154 2 1 762 . 1 1 A 71 71 THR HA H 71 4.162 4.369 -0.207 2 1 767 . 1 1 A 71 71 THR C C 71 175.433 175.578 -0.145 2 1 768 . 1 1 A 71 71 THR CA C 71 60.921 63.460 -2.539 2 1 769 . 1 1 A 71 71 THR CB C 71 68.671 68.959 -0.288 2 1 771 . 1 1 A 71 71 THR N N 71 114.514 120.729 -6.215 2 1 772 . 1 1 A 72 72 GLN H H 72 8.131 8.162 -0.031 2 1 773 . 1 1 A 72 72 GLN HA H 72 4.020 4.073 -0.053 2 1 780 . 1 1 A 72 72 GLN C C 72 176.950 177.354 -0.404 2 1 781 . 1 1 A 72 72 GLN CA C 72 58.361 59.016 -0.655 2 1 782 . 1 1 A 72 72 GLN CB C 72 28.079 28.482 -0.403 2 1 784 . 1 1 A 72 72 GLN N N 72 124.809 121.195 3.614 2 1 786 . 1 1 A 73 73 GLY H H 73 9.025 7.945 1.080 2 1 787 . 1 1 A 73 73 GLY HA2 H 73 4.092 4.048 0.044 2 1 788 . 1 1 A 73 73 GLY HA3 H 73 3.754 4.050 -0.296 2 1 789 . 1 1 A 73 73 GLY C C 73 173.971 173.426 0.545 2 1 790 . 1 1 A 73 73 GLY CA C 73 45.373 45.446 -0.073 2 1 791 . 1 1 A 73 73 GLY N N 73 114.015 106.564 7.452 2 1 792 . 1 1 A 74 74 LEU H H 74 7.672 7.420 0.252 2 1 793 . 1 1 A 74 74 LEU HA H 74 4.768 4.742 0.026 2 1 803 . 1 1 A 74 74 LEU C C 74 179.964 176.742 3.222 2 1 804 . 1 1 A 74 74 LEU CA C 74 54.682 53.661 1.021 2 1 805 . 1 1 A 74 74 LEU CB C 74 42.355 43.642 -1.287 2 1 809 . 1 1 A 74 74 LEU N N 74 118.933 120.893 -1.960 2 1 810 . 1 1 A 75 75 THR H H 75 8.911 8.760 0.151 2 1 811 . 1 1 A 75 75 THR HA H 75 4.799 4.736 0.063 2 1 816 . 1 1 A 75 75 THR C C 75 174.971 175.430 -0.459 2 1 817 . 1 1 A 75 75 THR CA C 75 60.571 60.431 0.140 2 1 818 . 1 1 A 75 75 THR CB C 75 71.058 71.416 -0.358 2 1 820 . 1 1 A 75 75 THR N N 75 113.687 115.708 -2.021 2 1 821 . 1 1 A 76 76 HIS H H 76 9.474 9.099 0.375 2 1 822 . 1 1 A 76 76 HIS HA H 76 3.997 4.125 -0.128 2 1 826 . 1 1 A 76 76 HIS C C 76 176.917 176.861 0.056 2 1 827 . 1 1 A 76 76 HIS CA C 76 61.208 60.623 0.585 2 1 828 . 1 1 A 76 76 HIS CB C 76 29.729 30.272 -0.543 2 1 830 . 1 1 A 76 76 HIS N N 76 122.022 122.060 -0.038 2 1 831 . 1 1 A 77 77 ALA H H 77 8.457 8.108 0.349 2 1 832 . 1 1 A 77 77 ALA HA H 77 3.946 3.791 0.155 2 1 836 . 1 1 A 77 77 ALA C C 77 181.502 179.769 1.733 2 1 837 . 1 1 A 77 77 ALA CA C 77 55.282 55.094 0.188 2 1 838 . 1 1 A 77 77 ALA CB C 77 18.162 18.277 -0.115 2 1 839 . 1 1 A 77 77 ALA N N 77 119.389 120.957 -1.568 2 1 840 . 1 1 A 78 78 GLN H H 78 7.991 7.957 0.034 2 1 841 . 1 1 A 78 78 GLN HA H 78 4.029 4.040 -0.011 2 1 848 . 1 1 A 78 78 GLN C C 78 179.215 178.434 0.781 2 1 849 . 1 1 A 78 78 GLN CA C 78 58.562 58.821 -0.259 2 1 850 . 1 1 A 78 78 GLN CB C 78 29.592 28.498 1.094 2 1 852 . 1 1 A 78 78 GLN N N 78 117.510 117.721 -0.211 2 1 854 . 1 1 A 79 79 ALA H H 79 8.367 8.237 0.130 2 1 855 . 1 1 A 79 79 ALA HA H 79 3.775 4.073 -0.298 2 1 859 . 1 1 A 79 79 ALA C C 79 178.754 179.914 -1.160 2 1 860 . 1 1 A 79 79 ALA CA C 79 55.828 55.093 0.735 2 1 861 . 1 1 A 79 79 ALA CB C 79 18.733 18.547 0.185 2 1 862 . 1 1 A 79 79 ALA N N 79 123.463 122.377 1.086 2 1 863 . 1 1 A 80 80 VAL H H 80 8.228 7.771 0.457 2 1 864 . 1 1 A 80 80 VAL HA H 80 3.510 3.503 0.007 2 1 872 . 1 1 A 80 80 VAL C C 80 179.087 177.977 1.110 2 1 873 . 1 1 A 80 80 VAL CA C 80 66.912 66.634 0.278 2 1 874 . 1 1 A 80 80 VAL CB C 80 31.781 31.495 0.286 2 1 877 . 1 1 A 80 80 VAL N N 80 116.720 117.890 -1.170 2 1 878 . 1 1 A 81 81 GLU H H 81 7.834 8.216 -0.382 2 1 879 . 1 1 A 81 81 GLU HA H 81 4.195 3.994 0.201 2 1 884 . 1 1 A 81 81 GLU C C 81 178.847 178.792 0.055 2 1 885 . 1 1 A 81 81 GLU CA C 81 59.100 59.472 -0.372 2 1 886 . 1 1 A 81 81 GLU CB C 81 28.818 29.229 -0.411 2 1 888 . 1 1 A 81 81 GLU N N 81 121.198 119.887 1.311 2 1 889 . 1 1 A 82 82 ARG H H 82 8.004 7.905 0.099 2 1 890 . 1 1 A 82 82 ARG HA H 82 4.021 4.059 -0.038 2 1 897 . 1 1 A 82 82 ARG C C 82 179.863 178.715 1.148 2 1 898 . 1 1 A 82 82 ARG CA C 82 58.487 58.999 -0.512 2 1 899 . 1 1 A 82 82 ARG CB C 82 29.026 29.997 -0.971 2 1 902 . 1 1 A 82 82 ARG N N 82 119.267 118.829 0.438 2 1 903 . 1 1 A 83 83 ILE H H 83 7.875 7.888 -0.013 2 1 904 . 1 1 A 83 83 ILE HA H 83 3.467 3.679 -0.212 2 1 914 . 1 1 A 83 83 ILE C C 83 179.211 178.021 1.190 2 1 915 . 1 1 A 83 83 ILE CA C 83 65.491 64.997 0.494 2 1 916 . 1 1 A 83 83 ILE CB C 83 38.055 37.688 0.367 2 1 920 . 1 1 A 83 83 ILE N N 83 120.039 120.922 -0.883 2 1 921 . 1 1 A 84 84 ARG H H 84 8.207 8.224 -0.017 2 1 922 . 1 1 A 84 84 ARG HA H 84 4.125 4.148 -0.023 2 1 929 . 1 1 A 84 84 ARG C C 84 179.062 178.611 0.451 2 1 930 . 1 1 A 84 84 ARG CA C 84 59.643 59.349 0.294 2 1 931 . 1 1 A 84 84 ARG CB C 84 30.197 30.157 0.040 2 1 934 . 1 1 A 84 84 ARG N N 84 121.315 120.292 1.023 2 1 935 . 1 1 A 85 85 ALA H H 85 8.366 8.158 0.208 2 1 936 . 1 1 A 85 85 ALA HA H 85 4.241 4.165 0.076 2 1 940 . 1 1 A 85 85 ALA C C 85 179.042 179.495 -0.453 2 1 941 . 1 1 A 85 85 ALA CA C 85 53.695 54.176 -0.481 2 1 942 . 1 1 A 85 85 ALA CB C 85 18.806 18.696 0.110 2 1 943 . 1 1 A 85 85 ALA N N 85 120.166 121.830 -1.664 2 1 944 . 1 1 A 86 86 GLY H H 86 7.470 8.397 -0.927 2 1 945 . 1 1 A 86 86 GLY HA2 H 86 4.134 3.926 0.208 2 1 946 . 1 1 A 86 86 GLY HA3 H 86 4.134 3.937 0.197 2 1 947 . 1 1 A 86 86 GLY C C 86 174.699 174.632 0.067 2 1 948 . 1 1 A 86 86 GLY CA C 86 45.902 46.750 -0.848 2 1 949 . 1 1 A 86 86 GLY N N 86 104.067 106.510 -2.443 2 1 950 . 1 1 A 87 87 GLY H H 87 7.688 7.633 0.055 2 1 951 . 1 1 A 87 87 GLY HA2 H 87 4.528 4.096 0.431 2 1 952 . 1 1 A 87 87 GLY HA3 H 87 3.835 4.099 -0.264 2 1 953 . 1 1 A 87 87 GLY C C 87 173.611 174.045 -0.434 2 1 954 . 1 1 A 87 87 GLY CA C 87 44.677 44.355 0.322 2 1 955 . 1 1 A 87 87 GLY N N 87 107.458 106.133 1.325 2 1 956 . 1 1 A 88 88 PRO HA H 88 4.306 4.504 -0.198 2 1 963 . 1 1 A 88 88 PRO C C 88 175.247 176.437 -1.190 2 1 964 . 1 1 A 88 88 PRO CA C 88 64.596 64.178 0.418 2 1 965 . 1 1 A 88 88 PRO CB C 88 32.405 32.081 0.324 2 1 968 . 1 1 A 89 89 GLN H H 89 7.606 8.101 -0.495 2 1 969 . 1 1 A 89 89 GLN HA H 89 5.343 4.947 0.396 2 1 976 . 1 1 A 89 89 GLN C C 89 173.750 174.415 -0.665 2 1 977 . 1 1 A 89 89 GLN CA C 89 54.626 54.879 -0.253 2 1 978 . 1 1 A 89 89 GLN CB C 89 31.870 31.194 0.676 2 1 980 . 1 1 A 89 89 GLN N N 89 116.964 118.888 -1.924 2 1 982 . 1 1 A 90 90 LEU H H 90 8.610 8.550 0.060 2 1 983 . 1 1 A 90 90 LEU HA H 90 4.757 4.858 -0.101 2 1 993 . 1 1 A 90 90 LEU C C 90 173.607 175.165 -1.558 2 1 994 . 1 1 A 90 90 LEU CA C 90 53.730 53.563 0.167 2 1 995 . 1 1 A 90 90 LEU CB C 90 45.549 44.181 1.368 2 1 999 . 1 1 A 90 90 LEU N N 90 124.460 126.521 -2.061 2 1 1000 . 1 1 A 91 91 HIS H H 91 8.826 8.824 0.002 2 1 1001 . 1 1 A 91 91 HIS HA H 91 5.207 5.559 -0.352 2 1 1006 . 1 1 A 91 91 HIS C C 91 174.745 173.213 1.532 2 1 1007 . 1 1 A 91 91 HIS CA C 91 55.093 54.160 0.934 2 1 1008 . 1 1 A 91 91 HIS CB C 91 32.686 32.925 -0.239 2 1 1011 . 1 1 A 91 91 HIS N N 91 126.871 126.084 0.787 2 1 1012 . 1 1 A 92 92 LEU H H 92 9.024 8.501 0.523 2 1 1013 . 1 1 A 92 92 LEU HA H 92 5.203 4.849 0.354 2 1 1023 . 1 1 A 92 92 LEU C C 92 175.889 175.384 0.505 2 1 1024 . 1 1 A 92 92 LEU CA C 92 52.955 53.365 -0.410 2 1 1025 . 1 1 A 92 92 LEU CB C 92 46.233 45.392 0.841 2 1 1029 . 1 1 A 92 92 LEU N N 92 125.837 128.444 -2.607 2 1 1030 . 1 1 A 93 93 VAL H H 93 7.739 8.774 -1.035 2 1 1031 . 1 1 A 93 93 VAL HA H 93 4.568 4.618 -0.050 2 1 1039 . 1 1 A 93 93 VAL C C 93 174.538 174.909 -0.371 2 1 1040 . 1 1 A 93 93 VAL CA C 93 62.666 61.814 0.852 2 1 1041 . 1 1 A 93 93 VAL CB C 93 32.838 31.895 0.943 2 1 1044 . 1 1 A 93 93 VAL N N 93 120.566 124.686 -4.120 2 1 1045 . 1 1 A 94 94 ILE H H 94 8.965 8.567 0.398 2 1 1046 . 1 1 A 94 94 ILE HA H 94 5.152 4.835 0.317 2 1 1056 . 1 1 A 94 94 ILE C C 94 174.723 174.284 0.439 2 1 1057 . 1 1 A 94 94 ILE CA C 94 56.360 59.077 -2.717 2 1 1058 . 1 1 A 94 94 ILE CB C 94 39.214 40.612 -1.398 2 1 1062 . 1 1 A 94 94 ILE N N 94 128.952 127.727 1.225 2 1 1063 . 1 1 A 95 95 ARG H H 95 8.286 8.462 -0.176 2 1 1064 . 1 1 A 95 95 ARG HA H 95 4.715 4.819 -0.104 2 1 1071 . 1 1 A 95 95 ARG C C 95 173.665 174.991 -1.326 2 1 1072 . 1 1 A 95 95 ARG CA C 95 54.982 54.574 0.409 2 1 1073 . 1 1 A 95 95 ARG CB C 95 34.833 33.406 1.427 2 1 1076 . 1 1 A 95 95 ARG N N 95 120.920 126.160 -5.240 2 1 1077 . 1 1 A 96 96 ARG H H 96 9.238 8.852 0.386 2 1 1078 . 1 1 A 96 96 ARG HA H 96 4.984 4.430 0.554 2 1 1086 . 1 1 A 96 96 ARG C C 96 174.582 174.893 -0.311 2 1 1087 . 1 1 A 96 96 ARG CA C 96 53.219 54.307 -1.088 2 1 1088 . 1 1 A 96 96 ARG CB C 96 31.369 31.071 0.298 2 1 1091 . 1 1 A 96 96 ARG N N 96 129.955 128.517 1.438 2 1 1093 . 1 1 A 97 97 PRO HA H 97 4.424 4.627 -0.203 2 1 1100 . 1 1 A 97 97 PRO C C 97 176.289 176.330 -0.041 2 1 1101 . 1 1 A 97 97 PRO CA C 97 63.322 62.366 0.956 2 1 1102 . 1 1 A 97 97 PRO CB C 97 32.240 32.868 -0.628 2 1 1105 . 1 1 A 98 98 LEU H H 98 8.325 8.440 -0.115 2 1 1106 . 1 1 A 98 98 LEU HA H 98 4.399 4.505 -0.106 2 1 1116 . 1 1 A 98 98 LEU C C 98 177.395 176.318 1.077 2 1 1117 . 1 1 A 98 98 LEU CA C 98 55.165 54.969 0.196 2 1 1118 . 1 1 A 98 98 LEU CB C 98 42.419 42.560 -0.141 2 1 1122 . 1 1 A 98 98 LEU N N 98 122.396 121.781 0.615 2 1 1123 . 1 1 A 99 99 SER H H 99 8.333 8.519 -0.186 2 1 1124 . 1 1 A 99 99 SER HA H 99 4.483 4.806 -0.323 2 1 1127 . 1 1 A 99 99 SER C C 99 174.489 173.966 0.523 2 1 1128 . 1 1 A 99 99 SER CA C 99 58.138 57.902 0.236 2 1 1129 . 1 1 A 99 99 SER CB C 99 63.846 64.779 -0.933 2 1 1130 . 1 1 A 99 99 SER N N 99 116.892 117.352 -0.460 2 1 1131 . 1 1 A 100 100 GLY H H 100 8.253 8.319 -0.066 2 1 1132 . 1 1 A 100 100 GLY HA2 H 100 4.177 4.152 0.024 2 1 1133 . 1 1 A 100 100 GLY HA3 H 100 4.101 4.153 -0.052 2 1 1134 . 1 1 A 100 100 GLY C C 100 171.838 173.452 -1.614 2 1 1135 . 1 1 A 100 100 GLY CA C 100 44.679 45.273 -0.594 2 1 1136 . 1 1 A 100 100 GLY N N 100 110.703 110.737 -0.034 2 1 1137 . 1 1 A 101 101 PRO HA H 101 4.480 4.588 -0.108 2 1 1144 . 1 1 A 101 101 PRO C C 101 177.411 176.355 1.056 2 1 1145 . 1 1 A 101 101 PRO CA C 101 63.312 63.123 0.189 2 1 1146 . 1 1 A 101 101 PRO CB C 101 32.158 31.820 0.338 2 1 1149 . 1 1 A 102 102 SER H H 102 8.517 8.353 0.164 2 1 1150 . 1 1 A 102 102 SER C C 102 174.655 174.008 0.647 2 1 1151 . 1 1 A 102 102 SER CA C 102 58.438 58.287 0.151 2 1 1152 . 1 1 A 102 102 SER CB C 102 63.970 64.220 -0.250 2 stop_ save_