data_16647_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16647 _Entry.PDB_ID 2KRS _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 14 . 1 1 1 A 2 2 GLN H H 2 9.330 8.987 0.343 1 1 15 . 1 1 1 A 2 2 GLN HA H 2 5.000 5.107 -0.107 1 1 22 . 1 1 1 A 2 2 GLN C C 2 174.500 174.444 0.056 1 1 23 . 1 1 1 A 2 2 GLN CA C 2 55.500 54.203 1.297 1 1 24 . 1 1 1 A 2 2 GLN CB C 2 31.700 31.648 0.052 1 1 26 . 1 1 1 A 2 2 GLN N N 2 125.400 123.026 2.374 1 1 28 . 1 1 1 A 3 3 GLY H H 3 8.860 8.871 -0.011 1 1 29 . 1 1 1 A 3 3 GLY HA2 H 3 3.070 4.056 -0.986 1 1 30 . 1 1 1 A 3 3 GLY HA3 H 3 5.250 4.062 1.188 1 1 31 . 1 1 1 A 3 3 GLY C C 3 171.800 172.425 -0.625 1 1 32 . 1 1 1 A 3 3 GLY CA C 3 44.300 44.666 -0.366 1 1 33 . 1 1 1 A 3 3 GLY N N 3 108.200 110.019 -1.819 1 1 34 . 1 1 1 A 4 4 VAL H H 4 9.060 8.728 0.332 1 1 35 . 1 1 1 A 4 4 VAL HA H 4 5.080 4.869 0.211 1 1 43 . 1 1 1 A 4 4 VAL C C 4 174.500 174.594 -0.094 1 1 44 . 1 1 1 A 4 4 VAL CA C 4 59.800 60.649 -0.849 1 1 45 . 1 1 1 A 4 4 VAL CB C 4 35.300 34.573 0.727 1 1 48 . 1 1 1 A 4 4 VAL N N 4 120.200 122.604 -2.404 1 1 49 . 1 1 1 A 5 5 VAL H H 5 8.750 9.101 -0.351 1 1 50 . 1 1 1 A 5 5 VAL HA H 5 4.190 4.700 -0.510 1 1 58 . 1 1 1 A 5 5 VAL C C 5 175.800 174.205 1.595 1 1 59 . 1 1 1 A 5 5 VAL CA C 5 62.800 61.859 0.941 1 1 60 . 1 1 1 A 5 5 VAL CB C 5 31.900 32.242 -0.342 1 1 63 . 1 1 1 A 5 5 VAL N N 5 128.600 128.438 0.162 1 1 64 . 1 1 1 A 6 6 LYS H H 6 8.830 9.824 -0.994 1 1 65 . 1 1 1 A 6 6 LYS HA H 6 5.250 5.072 0.178 1 1 74 . 1 1 1 A 6 6 LYS C C 6 174.800 175.088 -0.288 1 1 75 . 1 1 1 A 6 6 LYS CA C 6 54.300 54.984 -0.684 1 1 76 . 1 1 1 A 6 6 LYS CB C 6 33.200 34.545 -1.345 1 1 80 . 1 1 1 A 6 6 LYS N N 6 131.400 129.433 1.967 1 1 81 . 1 1 1 A 7 7 VAL H H 7 8.270 8.534 -0.264 1 1 82 . 1 1 1 A 7 7 VAL HA H 7 4.640 4.971 -0.331 1 1 90 . 1 1 1 A 7 7 VAL C C 7 173.400 175.866 -2.466 1 1 91 . 1 1 1 A 7 7 VAL CA C 7 59.700 59.917 -0.217 1 1 92 . 1 1 1 A 7 7 VAL CB C 7 35.400 35.765 -0.365 1 1 95 . 1 1 1 A 7 7 VAL N N 7 119.000 124.929 -5.929 1 1 96 . 1 1 1 A 8 8 ASN H H 8 8.560 9.186 -0.626 1 1 97 . 1 1 1 A 8 8 ASN HA H 8 4.690 4.436 0.254 1 1 102 . 1 1 1 A 8 8 ASN C C 8 175.600 175.884 -0.284 1 1 103 . 1 1 1 A 8 8 ASN CA C 8 54.500 56.553 -2.053 1 1 104 . 1 1 1 A 8 8 ASN CB C 8 38.700 38.233 0.467 1 1 106 . 1 1 1 A 8 8 ASN N N 8 120.700 127.187 -6.487 1 1 108 . 1 1 1 A 9 9 SER H H 9 7.630 8.084 -0.454 1 1 109 . 1 1 1 A 9 9 SER HA H 9 4.450 4.615 -0.165 1 1 112 . 1 1 1 A 9 9 SER C C 9 172.800 174.166 -1.366 1 1 113 . 1 1 1 A 9 9 SER CA C 9 58.100 59.825 -1.725 1 1 114 . 1 1 1 A 9 9 SER CB C 9 63.500 64.578 -1.078 1 1 115 . 1 1 1 A 9 9 SER N N 9 112.800 111.188 1.612 1 1 116 . 1 1 1 A 10 10 ALA H H 10 8.330 7.591 0.739 1 1 117 . 1 1 1 A 10 10 ALA HA H 10 4.530 4.672 -0.142 1 1 121 . 1 1 1 A 10 10 ALA C C 10 175.300 174.385 0.915 1 1 122 . 1 1 1 A 10 10 ALA CA C 10 52.400 51.534 0.866 1 1 123 . 1 1 1 A 10 10 ALA CB C 10 20.900 23.113 -2.213 1 1 124 . 1 1 1 A 10 10 ALA N N 10 123.900 117.913 5.987 1 1 125 . 1 1 1 A 11 11 LEU H H 11 8.930 9.086 -0.156 1 1 126 . 1 1 1 A 11 11 LEU HA H 11 4.530 4.931 -0.401 1 1 136 . 1 1 1 A 11 11 LEU C C 11 175.300 175.701 -0.401 1 1 137 . 1 1 1 A 11 11 LEU CA C 11 52.600 53.311 -0.711 1 1 138 . 1 1 1 A 11 11 LEU CB C 11 45.900 44.645 1.255 1 1 142 . 1 1 1 A 11 11 LEU N N 11 123.600 123.085 0.515 1 1 143 . 1 1 1 A 12 12 ASN H H 12 8.800 8.637 0.163 1 1 144 . 1 1 1 A 12 12 ASN HA H 12 5.030 4.956 0.074 1 1 149 . 1 1 1 A 12 12 ASN C C 12 174.000 174.620 -0.620 1 1 150 . 1 1 1 A 12 12 ASN CA C 12 53.800 53.195 0.605 1 1 151 . 1 1 1 A 12 12 ASN CB C 12 39.500 39.569 -0.069 1 1 153 . 1 1 1 A 12 12 ASN N N 12 123.600 124.737 -1.137 1 1 155 . 1 1 1 A 13 13 MET H H 13 8.630 8.804 -0.174 1 1 156 . 1 1 1 A 13 13 MET HA H 13 4.970 5.213 -0.243 1 1 164 . 1 1 1 A 13 13 MET C C 13 176.000 175.095 0.905 1 1 165 . 1 1 1 A 13 13 MET CA C 13 54.900 54.095 0.805 1 1 166 . 1 1 1 A 13 13 MET CB C 13 35.200 35.383 -0.183 1 1 169 . 1 1 1 A 13 13 MET N N 13 122.600 123.680 -1.080 1 1 170 . 1 1 1 A 14 14 ARG H H 14 9.730 8.295 1.435 1 1 171 . 1 1 1 A 14 14 ARG HA H 14 5.760 4.877 0.883 1 1 178 . 1 1 1 A 14 14 ARG C C 14 177.700 176.266 1.434 1 1 179 . 1 1 1 A 14 14 ARG CA C 14 54.900 53.923 0.977 1 1 180 . 1 1 1 A 14 14 ARG CB C 14 34.600 33.114 1.486 1 1 183 . 1 1 1 A 14 14 ARG N N 14 125.200 125.779 -0.579 1 1 184 . 1 1 1 A 15 15 SER H H 15 9.010 8.791 0.219 1 1 185 . 1 1 1 A 15 15 SER HA H 15 4.580 4.129 0.451 1 1 188 . 1 1 1 A 15 15 SER C C 15 173.100 174.589 -1.489 1 1 189 . 1 1 1 A 15 15 SER CA C 15 59.100 61.477 -2.377 1 1 190 . 1 1 1 A 15 15 SER CB C 15 63.600 63.084 0.516 1 1 191 . 1 1 1 A 15 15 SER N N 15 113.600 118.855 -5.255 1 1 192 . 1 1 1 A 16 16 GLY H H 16 6.940 7.459 -0.519 1 1 193 . 1 1 1 A 16 16 GLY HA2 H 16 1.050 1.721 -0.671 1 1 194 . 1 1 1 A 16 16 GLY HA3 H 16 3.010 3.558 -0.548 1 1 195 . 1 1 1 A 16 16 GLY CA C 16 43.700 42.945 0.755 1 1 196 . 1 1 1 A 16 16 GLY N N 16 109.500 107.965 1.535 1 1 197 . 1 1 1 A 17 17 PRO HA H 17 3.070 3.709 -0.639 1 1 204 . 1 1 1 A 17 17 PRO C C 17 172.400 174.938 -2.538 1 1 205 . 1 1 1 A 17 17 PRO CA C 17 60.200 61.455 -1.255 1 1 206 . 1 1 1 A 17 17 PRO CB C 17 28.300 28.511 -0.211 1 1 209 . 1 1 1 A 18 18 GLY H H 18 6.650 6.988 -0.338 1 1 210 . 1 1 1 A 18 18 GLY HA2 H 18 3.630 3.945 -0.315 1 1 211 . 1 1 1 A 18 18 GLY HA3 H 18 4.010 4.122 -0.112 1 1 212 . 1 1 1 A 18 18 GLY C C 18 173.200 174.243 -1.043 1 1 213 . 1 1 1 A 18 18 GLY CA C 18 46.200 45.406 0.794 1 1 214 . 1 1 1 A 18 18 GLY N N 18 110.400 109.744 0.656 1 1 215 . 1 1 1 A 19 19 SER H H 19 8.960 9.345 -0.385 1 1 216 . 1 1 1 A 19 19 SER HA H 19 4.200 4.356 -0.156 1 1 219 . 1 1 1 A 19 19 SER C C 19 173.600 176.522 -2.922 1 1 220 . 1 1 1 A 19 19 SER CA C 19 60.600 60.883 -0.283 1 1 221 . 1 1 1 A 19 19 SER CB C 19 63.200 63.109 0.091 1 1 222 . 1 1 1 A 19 19 SER N N 19 115.800 116.898 -1.098 1 1 223 . 1 1 1 A 20 20 ASN H H 20 8.720 7.906 0.814 1 1 224 . 1 1 1 A 20 20 ASN HA H 20 4.560 4.448 0.112 1 1 229 . 1 1 1 A 20 20 ASN C C 20 175.300 178.057 -2.757 1 1 230 . 1 1 1 A 20 20 ASN CA C 20 53.300 56.257 -2.957 1 1 231 . 1 1 1 A 20 20 ASN CB C 20 37.300 37.440 -0.140 1 1 233 . 1 1 1 A 20 20 ASN N N 20 115.000 119.884 -4.884 1 1 235 . 1 1 1 A 21 21 TYR H H 21 7.040 7.917 -0.877 1 1 236 . 1 1 1 A 21 21 TYR HA H 21 4.290 4.225 0.065 1 1 243 . 1 1 1 A 21 21 TYR C C 21 175.700 176.482 -0.782 1 1 244 . 1 1 1 A 21 21 TYR CA C 21 58.800 60.632 -1.832 1 1 245 . 1 1 1 A 21 21 TYR CB C 21 39.400 38.690 0.710 1 1 250 . 1 1 1 A 21 21 TYR N N 21 119.200 117.945 1.255 1 1 251 . 1 1 1 A 22 22 GLY H H 22 8.450 7.930 0.520 1 1 252 . 1 1 1 A 22 22 GLY HA2 H 22 3.820 4.086 -0.266 1 1 253 . 1 1 1 A 22 22 GLY HA3 H 22 4.090 4.088 0.002 1 1 254 . 1 1 1 A 22 22 GLY C C 22 172.700 172.722 -0.022 1 1 255 . 1 1 1 A 22 22 GLY CA C 22 45.300 44.217 1.083 1 1 256 . 1 1 1 A 22 22 GLY N N 22 107.800 106.082 1.718 1 1 257 . 1 1 1 A 23 23 VAL H H 23 8.470 8.231 0.239 1 1 258 . 1 1 1 A 23 23 VAL HA H 23 4.320 4.489 -0.169 1 1 266 . 1 1 1 A 23 23 VAL C C 23 178.000 176.543 1.457 1 1 267 . 1 1 1 A 23 23 VAL CA C 23 63.700 62.229 1.471 1 1 268 . 1 1 1 A 23 23 VAL CB C 23 32.700 32.270 0.430 1 1 271 . 1 1 1 A 23 23 VAL N N 23 120.200 119.397 0.803 1 1 272 . 1 1 1 A 24 24 ILE H H 24 9.120 9.052 0.068 1 1 273 . 1 1 1 A 24 24 ILE HA H 24 4.740 4.702 0.038 1 1 283 . 1 1 1 A 24 24 ILE C C 24 175.300 175.662 -0.362 1 1 284 . 1 1 1 A 24 24 ILE CA C 24 60.500 60.729 -0.229 1 1 285 . 1 1 1 A 24 24 ILE CB C 24 39.900 39.214 0.686 1 1 289 . 1 1 1 A 24 24 ILE N N 24 120.900 124.135 -3.235 1 1 290 . 1 1 1 A 25 25 GLY H H 25 7.770 7.536 0.234 1 1 291 . 1 1 1 A 25 25 GLY HA2 H 25 4.130 4.074 0.056 1 1 292 . 1 1 1 A 25 25 GLY HA3 H 25 4.310 4.078 0.232 1 1 293 . 1 1 1 A 25 25 GLY C C 25 171.100 171.295 -0.195 1 1 294 . 1 1 1 A 25 25 GLY CA C 25 45.500 45.524 -0.024 1 1 295 . 1 1 1 A 25 25 GLY N N 25 109.200 109.320 -0.120 1 1 296 . 1 1 1 A 26 26 THR H H 26 8.440 8.547 -0.107 1 1 297 . 1 1 1 A 26 26 THR HA H 26 5.080 5.063 0.017 1 1 302 . 1 1 1 A 26 26 THR C C 26 173.000 173.513 -0.513 1 1 303 . 1 1 1 A 26 26 THR CA C 26 61.400 61.197 0.203 1 1 304 . 1 1 1 A 26 26 THR CB C 26 72.200 70.787 1.413 1 1 306 . 1 1 1 A 26 26 THR N N 26 113.900 115.270 -1.370 1 1 307 . 1 1 1 A 27 27 LEU H H 27 9.180 9.589 -0.409 1 1 308 . 1 1 1 A 27 27 LEU HA H 27 4.480 4.884 -0.404 1 1 318 . 1 1 1 A 27 27 LEU C C 27 174.900 175.899 -0.999 1 1 319 . 1 1 1 A 27 27 LEU CA C 27 53.400 52.992 0.408 1 1 320 . 1 1 1 A 27 27 LEU CB C 27 45.000 44.604 0.396 1 1 324 . 1 1 1 A 27 27 LEU N N 27 125.600 126.349 -0.749 1 1 325 . 1 1 1 A 28 28 ARG H H 28 9.280 8.486 0.794 1 1 326 . 1 1 1 A 28 28 ARG HA H 28 4.510 4.583 -0.073 1 1 333 . 1 1 1 A 28 28 ARG C C 28 175.300 175.638 -0.338 1 1 334 . 1 1 1 A 28 28 ARG CA C 28 53.300 54.662 -1.362 1 1 335 . 1 1 1 A 28 28 ARG CB C 28 33.100 31.342 1.758 1 1 338 . 1 1 1 A 28 28 ARG N N 28 120.600 121.734 -1.134 1 1 339 . 1 1 1 A 29 29 ASN H H 29 8.360 8.694 -0.334 1 1 340 . 1 1 1 A 29 29 ASN HA H 29 4.070 4.712 -0.642 1 1 345 . 1 1 1 A 29 29 ASN C C 29 176.500 175.016 1.484 1 1 346 . 1 1 1 A 29 29 ASN CA C 29 56.100 52.602 3.498 1 1 347 . 1 1 1 A 29 29 ASN CB C 29 39.300 39.082 0.218 1 1 349 . 1 1 1 A 29 29 ASN N N 29 117.200 118.992 -1.792 1 1 351 . 1 1 1 A 30 30 ASN H H 30 9.290 8.700 0.590 1 1 352 . 1 1 1 A 30 30 ASN HA H 30 4.300 4.273 0.027 1 1 357 . 1 1 1 A 30 30 ASN C C 30 175.100 173.332 1.768 1 1 358 . 1 1 1 A 30 30 ASN CA C 30 55.500 54.335 1.165 1 1 359 . 1 1 1 A 30 30 ASN CB C 30 37.300 37.283 0.017 1 1 361 . 1 1 1 A 30 30 ASN N N 30 118.900 114.994 3.906 1 1 363 . 1 1 1 A 31 31 ASP H H 31 8.210 7.913 0.297 1 1 364 . 1 1 1 A 31 31 ASP HA H 31 4.700 4.953 -0.253 1 1 367 . 1 1 1 A 31 31 ASP C C 31 175.300 175.283 0.017 1 1 368 . 1 1 1 A 31 31 ASP CA C 31 56.500 53.544 2.956 1 1 369 . 1 1 1 A 31 31 ASP CB C 31 41.200 41.565 -0.365 1 1 370 . 1 1 1 A 31 31 ASP N N 31 122.300 118.969 3.331 1 1 371 . 1 1 1 A 32 32 LYS H H 32 8.510 8.695 -0.185 1 1 372 . 1 1 1 A 32 32 LYS HA H 32 5.140 4.418 0.722 1 1 381 . 1 1 1 A 32 32 LYS C C 32 176.600 176.712 -0.112 1 1 382 . 1 1 1 A 32 32 LYS CA C 32 55.400 56.493 -1.093 1 1 383 . 1 1 1 A 32 32 LYS CB C 32 33.500 32.986 0.514 1 1 387 . 1 1 1 A 32 32 LYS N N 32 121.500 127.063 -5.563 1 1 388 . 1 1 1 A 33 33 VAL H H 33 8.650 8.625 0.025 1 1 389 . 1 1 1 A 33 33 VAL HA H 33 5.020 4.979 0.041 1 1 397 . 1 1 1 A 33 33 VAL C C 33 174.200 173.646 0.554 1 1 398 . 1 1 1 A 33 33 VAL CA C 33 58.200 58.747 -0.547 1 1 399 . 1 1 1 A 33 33 VAL CB C 33 34.900 35.816 -0.916 1 1 402 . 1 1 1 A 33 33 VAL N N 33 113.500 117.931 -4.431 1 1 403 . 1 1 1 A 34 34 GLU H H 34 8.070 8.878 -0.808 1 1 404 . 1 1 1 A 34 34 GLU HA H 34 4.780 4.919 -0.139 1 1 409 . 1 1 1 A 34 34 GLU C C 34 176.000 175.213 0.787 1 1 410 . 1 1 1 A 34 34 GLU CA C 34 55.000 54.985 0.015 1 1 411 . 1 1 1 A 34 34 GLU CB C 34 31.400 31.954 -0.554 1 1 413 . 1 1 1 A 34 34 GLU N N 34 122.300 122.155 0.145 1 1 414 . 1 1 1 A 35 35 ILE H H 35 8.610 8.906 -0.296 1 1 415 . 1 1 1 A 35 35 ILE HA H 35 4.100 4.466 -0.366 1 1 425 . 1 1 1 A 35 35 ILE C C 35 175.600 175.591 0.009 1 1 426 . 1 1 1 A 35 35 ILE CA C 35 61.200 61.755 -0.555 1 1 427 . 1 1 1 A 35 35 ILE CB C 35 38.800 37.887 0.913 1 1 431 . 1 1 1 A 35 35 ILE N N 35 125.500 127.596 -2.096 1 1 432 . 1 1 1 A 36 36 ILE H H 36 9.450 9.569 -0.119 1 1 433 . 1 1 1 A 36 36 ILE HA H 36 3.990 4.185 -0.195 1 1 443 . 1 1 1 A 36 36 ILE C C 36 176.500 176.196 0.304 1 1 444 . 1 1 1 A 36 36 ILE CA C 36 63.100 62.570 0.530 1 1 445 . 1 1 1 A 36 36 ILE CB C 36 38.800 38.374 0.426 1 1 449 . 1 1 1 A 36 36 ILE N N 36 129.500 128.632 0.868 1 1 450 . 1 1 1 A 37 37 LYS H H 37 7.630 7.653 -0.023 1 1 451 . 1 1 1 A 37 37 LYS HA H 37 4.670 4.743 -0.073 1 1 460 . 1 1 1 A 37 37 LYS C C 37 173.100 173.833 -0.733 1 1 461 . 1 1 1 A 37 37 LYS CA C 37 55.700 55.141 0.559 1 1 462 . 1 1 1 A 37 37 LYS CB C 37 34.700 34.724 -0.024 1 1 466 . 1 1 1 A 37 37 LYS N N 37 113.300 115.368 -2.068 1 1 467 . 1 1 1 A 38 38 GLU H H 38 8.800 9.000 -0.200 1 1 468 . 1 1 1 A 38 38 GLU HA H 38 5.360 5.364 -0.004 1 1 473 . 1 1 1 A 38 38 GLU C C 38 175.300 175.180 0.120 1 1 474 . 1 1 1 A 38 38 GLU CA C 38 55.400 54.857 0.543 1 1 475 . 1 1 1 A 38 38 GLU CB C 38 32.500 32.503 -0.003 1 1 477 . 1 1 1 A 38 38 GLU N N 38 122.000 121.777 0.223 1 1 478 . 1 1 1 A 39 39 VAL H H 39 9.550 9.095 0.455 1 1 479 . 1 1 1 A 39 39 VAL HA H 39 4.360 4.534 -0.174 1 1 487 . 1 1 1 A 39 39 VAL C C 39 174.500 176.058 -1.558 1 1 488 . 1 1 1 A 39 39 VAL CA C 39 61.600 61.122 0.478 1 1 489 . 1 1 1 A 39 39 VAL CB C 39 34.400 34.422 -0.022 1 1 492 . 1 1 1 A 39 39 VAL N N 39 126.000 126.451 -0.451 1 1 493 . 1 1 1 A 40 40 ASP H H 40 8.960 9.608 -0.648 1 1 494 . 1 1 1 A 40 40 ASP HA H 40 4.340 4.299 0.041 1 1 497 . 1 1 1 A 40 40 ASP C C 40 175.800 175.358 0.442 1 1 498 . 1 1 1 A 40 40 ASP CA C 40 55.900 55.353 0.547 1 1 499 . 1 1 1 A 40 40 ASP CB C 40 40.700 39.822 0.878 1 1 500 . 1 1 1 A 40 40 ASP N N 40 125.700 127.664 -1.964 1 1 501 . 1 1 1 A 41 41 GLY H H 41 8.870 8.269 0.601 1 1 502 . 1 1 1 A 41 41 GLY HA2 H 41 3.510 3.651 -0.141 1 1 503 . 1 1 1 A 41 41 GLY HA3 H 41 4.190 3.679 0.511 1 1 504 . 1 1 1 A 41 41 GLY C C 41 173.900 173.964 -0.064 1 1 505 . 1 1 1 A 41 41 GLY CA C 41 45.700 45.295 0.405 1 1 506 . 1 1 1 A 41 41 GLY N N 41 105.500 103.191 2.309 1 1 507 . 1 1 1 A 42 42 TRP H H 42 8.580 8.150 0.430 1 1 508 . 1 1 1 A 42 42 TRP HA H 42 4.700 4.586 0.114 1 1 517 . 1 1 1 A 42 42 TRP C C 42 175.300 175.741 -0.441 1 1 518 . 1 1 1 A 42 42 TRP CA C 42 56.300 57.559 -1.259 1 1 519 . 1 1 1 A 42 42 TRP CB C 42 31.300 30.407 0.893 1 1 525 . 1 1 1 A 42 42 TRP N N 42 122.900 120.871 2.029 1 1 527 . 1 1 1 A 43 43 TYR H H 43 9.400 8.650 0.750 1 1 528 . 1 1 1 A 43 43 TYR HA H 43 5.630 5.212 0.418 1 1 535 . 1 1 1 A 43 43 TYR C C 43 175.800 175.354 0.446 1 1 536 . 1 1 1 A 43 43 TYR CA C 43 55.900 57.078 -1.178 1 1 537 . 1 1 1 A 43 43 TYR CB C 43 40.200 40.498 -0.298 1 1 542 . 1 1 1 A 43 43 TYR N N 43 119.000 122.140 -3.140 1 1 543 . 1 1 1 A 44 44 GLU H H 44 9.110 9.659 -0.549 1 1 544 . 1 1 1 A 44 44 GLU HA H 44 4.040 4.525 -0.485 1 1 549 . 1 1 1 A 44 44 GLU C C 44 175.500 176.553 -1.053 1 1 550 . 1 1 1 A 44 44 GLU CA C 44 55.500 56.158 -0.658 1 1 551 . 1 1 1 A 44 44 GLU CB C 44 31.200 30.824 0.376 1 1 553 . 1 1 1 A 44 44 GLU N N 44 125.600 124.920 0.680 1 1 554 . 1 1 1 A 45 45 ILE H H 45 9.300 8.673 0.627 1 1 555 . 1 1 1 A 45 45 ILE HA H 45 5.550 5.484 0.066 1 1 565 . 1 1 1 A 45 45 ILE C C 45 173.700 173.642 0.058 1 1 566 . 1 1 1 A 45 45 ILE CA C 45 58.300 58.516 -0.216 1 1 567 . 1 1 1 A 45 45 ILE CB C 45 43.200 42.054 1.146 1 1 571 . 1 1 1 A 45 45 ILE N N 45 122.700 121.178 1.522 1 1 572 . 1 1 1 A 46 46 ARG H H 46 8.730 8.357 0.373 1 1 573 . 1 1 1 A 46 46 ARG HA H 46 5.310 5.624 -0.314 1 1 580 . 1 1 1 A 46 46 ARG C C 46 176.400 174.589 1.811 1 1 581 . 1 1 1 A 46 46 ARG CA C 46 54.400 54.356 0.044 1 1 582 . 1 1 1 A 46 46 ARG CB C 46 33.600 33.498 0.102 1 1 585 . 1 1 1 A 46 46 ARG N N 46 118.900 122.323 -3.423 1 1 586 . 1 1 1 A 47 47 PHE H H 47 9.080 9.216 -0.136 1 1 587 . 1 1 1 A 47 47 PHE HA H 47 4.850 4.847 0.003 1 1 595 . 1 1 1 A 47 47 PHE C C 47 174.500 174.791 -0.291 1 1 596 . 1 1 1 A 47 47 PHE CA C 47 57.300 57.760 -0.460 1 1 597 . 1 1 1 A 47 47 PHE CB C 47 42.500 42.950 -0.450 1 1 603 . 1 1 1 A 47 47 PHE N N 47 126.500 126.936 -0.436 1 1 604 . 1 1 1 A 48 48 ASN H H 48 9.140 8.723 0.417 1 1 605 . 1 1 1 A 48 48 ASN HA H 48 4.080 4.185 -0.105 1 1 610 . 1 1 1 A 48 48 ASN C C 48 175.100 175.549 -0.449 1 1 611 . 1 1 1 A 48 48 ASN CA C 48 53.500 54.182 -0.682 1 1 612 . 1 1 1 A 48 48 ASN CB C 48 37.100 37.242 -0.142 1 1 614 . 1 1 1 A 48 48 ASN N N 48 128.500 125.079 3.421 1 1 616 . 1 1 1 A 49 49 GLY H H 49 8.600 8.597 0.003 1 1 617 . 1 1 1 A 49 49 GLY HA2 H 49 3.510 3.824 -0.314 1 1 618 . 1 1 1 A 49 49 GLY HA3 H 49 4.110 3.826 0.284 1 1 619 . 1 1 1 A 49 49 GLY C C 49 173.600 173.705 -0.105 1 1 620 . 1 1 1 A 49 49 GLY CA C 49 45.600 45.363 0.237 1 1 621 . 1 1 1 A 49 49 GLY N N 49 103.100 103.998 -0.898 1 1 622 . 1 1 1 A 50 50 LYS H H 50 7.850 8.039 -0.189 1 1 623 . 1 1 1 A 50 50 LYS HA H 50 4.620 4.721 -0.101 1 1 632 . 1 1 1 A 50 50 LYS C C 50 174.600 175.585 -0.985 1 1 633 . 1 1 1 A 50 50 LYS CA C 50 54.900 54.293 0.607 1 1 634 . 1 1 1 A 50 50 LYS CB C 50 35.100 34.648 0.452 1 1 638 . 1 1 1 A 50 50 LYS N N 50 121.700 120.318 1.382 1 1 639 . 1 1 1 A 51 51 VAL H H 51 8.120 8.604 -0.484 1 1 640 . 1 1 1 A 51 51 VAL HA H 51 5.100 4.970 0.130 1 1 648 . 1 1 1 A 51 51 VAL C C 51 176.100 175.712 0.388 1 1 649 . 1 1 1 A 51 51 VAL CA C 51 60.700 60.129 0.571 1 1 650 . 1 1 1 A 51 51 VAL CB C 51 33.400 34.386 -0.986 1 1 653 . 1 1 1 A 51 51 VAL N N 51 122.100 122.639 -0.539 1 1 654 . 1 1 1 A 52 52 GLY H H 52 8.430 8.010 0.420 1 1 655 . 1 1 1 A 52 52 GLY HA2 H 52 3.760 4.135 -0.375 1 1 656 . 1 1 1 A 52 52 GLY HA3 H 52 4.230 4.227 0.003 1 1 657 . 1 1 1 A 52 52 GLY C C 52 170.300 171.157 -0.857 1 1 658 . 1 1 1 A 52 52 GLY CA C 52 45.600 45.930 -0.330 1 1 659 . 1 1 1 A 52 52 GLY N N 52 113.100 112.702 0.398 1 1 660 . 1 1 1 A 53 53 TYR H H 53 9.260 9.267 -0.007 1 1 661 . 1 1 1 A 53 53 TYR HA H 53 5.990 5.745 0.245 1 1 668 . 1 1 1 A 53 53 TYR C C 53 175.700 175.260 0.440 1 1 669 . 1 1 1 A 53 53 TYR CA C 53 56.800 56.690 0.110 1 1 670 . 1 1 1 A 53 53 TYR CB C 53 42.800 43.233 -0.433 1 1 675 . 1 1 1 A 53 53 TYR N N 53 118.000 119.199 -1.199 1 1 676 . 1 1 1 A 54 54 ALA H H 54 9.210 8.606 0.604 1 1 677 . 1 1 1 A 54 54 ALA HA H 54 5.280 5.414 -0.134 1 1 681 . 1 1 1 A 54 54 ALA C C 54 175.800 176.342 -0.542 1 1 682 . 1 1 1 A 54 54 ALA CA C 54 50.900 50.821 0.079 1 1 683 . 1 1 1 A 54 54 ALA CB C 54 23.800 23.547 0.253 1 1 684 . 1 1 1 A 54 54 ALA N N 54 122.000 122.997 -0.997 1 1 685 . 1 1 1 A 55 55 SER H H 55 8.620 8.974 -0.354 1 1 686 . 1 1 1 A 55 55 SER HA H 55 3.270 3.916 -0.646 1 1 689 . 1 1 1 A 55 55 SER C C 55 175.400 176.044 -0.644 1 1 690 . 1 1 1 A 55 55 SER CA C 55 59.100 59.216 -0.116 1 1 691 . 1 1 1 A 55 55 SER CB C 55 63.200 63.770 -0.570 1 1 692 . 1 1 1 A 55 55 SER N N 55 117.400 116.881 0.519 1 1 693 . 1 1 1 A 56 56 LYS H H 56 7.630 8.414 -0.784 1 1 694 . 1 1 1 A 56 56 LYS HA H 56 3.750 4.283 -0.533 1 1 703 . 1 1 1 A 56 56 LYS C C 56 177.100 178.628 -1.528 1 1 704 . 1 1 1 A 56 56 LYS CA C 56 58.600 58.950 -0.350 1 1 705 . 1 1 1 A 56 56 LYS CB C 56 32.300 32.145 0.155 1 1 709 . 1 1 1 A 56 56 LYS N N 56 124.500 123.686 0.814 1 1 710 . 1 1 1 A 57 57 SER H H 57 7.670 8.002 -0.332 1 1 711 . 1 1 1 A 57 57 SER HA H 57 3.930 4.058 -0.128 1 1 714 . 1 1 1 A 57 57 SER C C 57 174.100 175.275 -1.175 1 1 715 . 1 1 1 A 57 57 SER CA C 57 60.700 62.401 -1.701 1 1 716 . 1 1 1 A 57 57 SER CB C 57 62.800 63.194 -0.394 1 1 717 . 1 1 1 A 57 57 SER N N 57 112.000 117.888 -5.888 1 1 718 . 1 1 1 A 58 58 TYR H H 58 6.990 7.781 -0.791 1 1 719 . 1 1 1 A 58 58 TYR HA H 58 4.800 4.609 0.191 1 1 726 . 1 1 1 A 58 58 TYR C C 58 173.300 174.906 -1.606 1 1 727 . 1 1 1 A 58 58 TYR CA C 58 57.400 59.009 -1.609 1 1 728 . 1 1 1 A 58 58 TYR CB C 58 40.500 39.205 1.295 1 1 733 . 1 1 1 A 58 58 TYR N N 58 116.100 117.680 -1.580 1 1 734 . 1 1 1 A 59 59 ILE H H 59 7.300 7.756 -0.456 1 1 735 . 1 1 1 A 59 59 ILE HA H 59 4.790 4.804 -0.014 1 1 745 . 1 1 1 A 59 59 ILE C C 59 174.500 174.833 -0.333 1 1 746 . 1 1 1 A 59 59 ILE CA C 59 59.300 60.190 -0.890 1 1 747 . 1 1 1 A 59 59 ILE CB C 59 40.800 39.085 1.715 1 1 751 . 1 1 1 A 59 59 ILE N N 59 119.000 120.482 -1.482 1 1 752 . 1 1 1 A 60 60 THR H H 60 8.980 9.118 -0.138 1 1 753 . 1 1 1 A 60 60 THR HA H 60 4.580 4.835 -0.255 1 1 758 . 1 1 1 A 60 60 THR C C 60 173.800 173.588 0.212 1 1 759 . 1 1 1 A 60 60 THR CA C 60 60.800 61.855 -1.055 1 1 760 . 1 1 1 A 60 60 THR CB C 60 71.100 70.441 0.659 1 1 762 . 1 1 1 A 60 60 THR N N 60 123.600 124.179 -0.579 1 1 763 . 1 1 1 A 61 61 ILE H H 61 8.680 8.661 0.019 1 1 764 . 1 1 1 A 61 61 ILE HA H 61 4.180 4.140 0.040 1 1 774 . 1 1 1 A 61 61 ILE C C 61 176.400 175.463 0.937 1 1 775 . 1 1 1 A 61 61 ILE CA C 61 61.800 61.346 0.454 1 1 776 . 1 1 1 A 61 61 ILE CB C 61 37.900 37.495 0.405 1 1 780 . 1 1 1 A 61 61 ILE N N 61 127.200 128.105 -0.905 1 1 781 . 1 1 1 A 62 62 VAL H H 62 8.370 8.575 -0.205 1 1 782 . 1 1 1 A 62 62 VAL HA H 62 4.140 4.469 -0.329 1 1 790 . 1 1 1 A 62 62 VAL C C 62 175.200 176.514 -1.314 1 1 791 . 1 1 1 A 62 62 VAL CA C 62 61.800 61.153 0.647 1 1 792 . 1 1 1 A 62 62 VAL CB C 62 33.200 32.852 0.348 1 1 795 . 1 1 1 A 62 62 VAL N N 62 126.600 127.943 -1.343 1 1 796 . 1 1 1 A 63 63 ASN H H 63 8.590 9.113 -0.523 1 1 797 . 1 1 1 A 63 63 ASN HA H 63 4.730 4.352 0.378 1 1 802 . 1 1 1 A 63 63 ASN C C 63 175.200 175.953 -0.753 1 1 803 . 1 1 1 A 63 63 ASN CA C 63 53.200 53.718 -0.518 1 1 804 . 1 1 1 A 63 63 ASN CB C 63 39.100 37.029 2.071 1 1 806 . 1 1 1 A 63 63 ASN N N 63 123.500 124.774 -1.274 1 1 808 . 1 1 1 A 64 64 GLU H H 64 8.620 8.143 0.477 1 1 809 . 1 1 1 A 64 64 GLU HA H 64 4.250 4.203 0.047 1 1 814 . 1 1 1 A 64 64 GLU C C 64 177.000 177.306 -0.306 1 1 815 . 1 1 1 A 64 64 GLU CA C 64 57.100 55.746 1.354 1 1 816 . 1 1 1 A 64 64 GLU CB C 64 30.400 28.560 1.840 1 1 818 . 1 1 1 A 64 64 GLU N N 64 122.700 118.236 4.464 1 1 819 . 1 1 1 A 65 65 GLY H H 65 8.490 8.853 -0.363 1 1 820 . 1 1 1 A 65 65 GLY HA2 H 65 3.980 3.919 0.061 1 1 821 . 1 1 1 A 65 65 GLY HA3 H 65 3.980 3.919 0.061 1 1 822 . 1 1 1 A 65 65 GLY C C 65 174.300 174.887 -0.587 1 1 823 . 1 1 1 A 65 65 GLY CA C 65 45.500 45.942 -0.442 1 1 824 . 1 1 1 A 65 65 GLY N N 65 109.600 109.492 0.108 1 1 825 . 1 1 1 A 66 66 SER H H 66 8.180 7.590 0.590 1 1 826 . 1 1 1 A 66 66 SER HA H 66 4.450 4.393 0.057 1 1 829 . 1 1 1 A 66 66 SER C C 66 174.900 174.611 0.289 1 1 830 . 1 1 1 A 66 66 SER CA C 66 58.300 58.469 -0.169 1 1 831 . 1 1 1 A 66 66 SER CB C 66 63.700 64.631 -0.931 1 1 832 . 1 1 1 A 66 66 SER N N 66 115.500 115.855 -0.355 1 1 833 . 1 1 1 A 67 67 LEU H H 67 8.300 8.511 -0.211 1 1 834 . 1 1 1 A 67 67 LEU HA H 67 4.300 4.611 -0.311 1 1 844 . 1 1 1 A 67 67 LEU C C 67 177.500 176.800 0.700 1 1 845 . 1 1 1 A 67 67 LEU CA C 67 55.400 54.205 1.195 1 1 846 . 1 1 1 A 67 67 LEU CB C 67 42.200 43.702 -1.502 1 1 850 . 1 1 1 A 67 67 LEU N N 67 123.800 119.593 4.207 1 1 851 . 1 1 1 A 68 68 GLU H H 68 8.270 7.665 0.605 1 1 852 . 1 1 1 A 68 68 GLU HA H 68 4.160 4.287 -0.127 1 1 857 . 1 1 1 A 68 68 GLU CA C 68 56.900 56.704 0.196 1 1 858 . 1 1 1 A 68 68 GLU CB C 68 30.100 30.420 -0.320 1 1 860 . 1 1 1 A 68 68 GLU N N 68 120.700 121.336 -0.636 1 1 861 . 1 1 1 A 69 69 HIS C C 69 173.900 175.284 -1.384 1 1 862 . 1 1 1 A 70 70 HIS H H 70 8.140 8.959 -0.819 1 1 863 . 1 1 1 A 70 70 HIS CA C 70 57.200 56.779 0.421 1 1 864 . 1 1 1 A 70 70 HIS CB C 70 30.200 27.580 2.620 1 1 14 . 2 1 1 A 2 2 GLN H H 2 9.330 9.140 0.190 1 1 15 . 2 1 1 A 2 2 GLN HA H 2 5.000 4.995 0.005 1 1 22 . 2 1 1 A 2 2 GLN C C 2 174.500 175.386 -0.886 1 1 23 . 2 1 1 A 2 2 GLN CA C 2 55.500 54.327 1.173 1 1 24 . 2 1 1 A 2 2 GLN CB C 2 31.700 30.822 0.878 1 1 26 . 2 1 1 A 2 2 GLN N N 2 125.400 123.956 1.444 1 1 28 . 2 1 1 A 3 3 GLY H H 3 8.860 8.831 0.029 1 1 29 . 2 1 1 A 3 3 GLY HA2 H 3 3.070 4.048 -0.978 1 1 30 . 2 1 1 A 3 3 GLY HA3 H 3 5.250 4.064 1.186 1 1 31 . 2 1 1 A 3 3 GLY C C 3 171.800 172.348 -0.548 1 1 32 . 2 1 1 A 3 3 GLY CA C 3 44.300 44.569 -0.269 1 1 33 . 2 1 1 A 3 3 GLY N N 3 108.200 112.865 -4.665 1 1 34 . 2 1 1 A 4 4 VAL H H 4 9.060 8.693 0.367 1 1 35 . 2 1 1 A 4 4 VAL HA H 4 5.080 4.827 0.253 1 1 43 . 2 1 1 A 4 4 VAL C C 4 174.500 174.645 -0.145 1 1 44 . 2 1 1 A 4 4 VAL CA C 4 59.800 60.625 -0.825 1 1 45 . 2 1 1 A 4 4 VAL CB C 4 35.300 34.805 0.495 1 1 48 . 2 1 1 A 4 4 VAL N N 4 120.200 123.405 -3.205 1 1 49 . 2 1 1 A 5 5 VAL H H 5 8.750 8.843 -0.093 1 1 50 . 2 1 1 A 5 5 VAL HA H 5 4.190 4.652 -0.462 1 1 58 . 2 1 1 A 5 5 VAL C C 5 175.800 175.152 0.648 1 1 59 . 2 1 1 A 5 5 VAL CA C 5 62.800 61.840 0.960 1 1 60 . 2 1 1 A 5 5 VAL CB C 5 31.900 32.268 -0.368 1 1 63 . 2 1 1 A 5 5 VAL N N 5 128.600 128.273 0.327 1 1 64 . 2 1 1 A 6 6 LYS H H 6 8.830 8.931 -0.101 1 1 65 . 2 1 1 A 6 6 LYS HA H 6 5.250 5.037 0.213 1 1 74 . 2 1 1 A 6 6 LYS C C 6 174.800 174.895 -0.095 1 1 75 . 2 1 1 A 6 6 LYS CA C 6 54.300 55.208 -0.908 1 1 76 . 2 1 1 A 6 6 LYS CB C 6 33.200 34.186 -0.986 1 1 80 . 2 1 1 A 6 6 LYS N N 6 131.400 126.989 4.411 1 1 81 . 2 1 1 A 7 7 VAL H H 7 8.270 8.668 -0.398 1 1 82 . 2 1 1 A 7 7 VAL HA H 7 4.640 4.912 -0.272 1 1 90 . 2 1 1 A 7 7 VAL C C 7 173.400 175.594 -2.194 1 1 91 . 2 1 1 A 7 7 VAL CA C 7 59.700 59.708 -0.008 1 1 92 . 2 1 1 A 7 7 VAL CB C 7 35.400 35.341 0.059 1 1 95 . 2 1 1 A 7 7 VAL N N 7 119.000 123.137 -4.137 1 1 96 . 2 1 1 A 8 8 ASN H H 8 8.560 8.768 -0.208 1 1 97 . 2 1 1 A 8 8 ASN HA H 8 4.690 4.432 0.258 1 1 102 . 2 1 1 A 8 8 ASN C C 8 175.600 175.870 -0.270 1 1 103 . 2 1 1 A 8 8 ASN CA C 8 54.500 56.223 -1.723 1 1 104 . 2 1 1 A 8 8 ASN CB C 8 38.700 38.767 -0.067 1 1 106 . 2 1 1 A 8 8 ASN N N 8 120.700 126.055 -5.355 1 1 108 . 2 1 1 A 9 9 SER H H 9 7.630 8.402 -0.772 1 1 109 . 2 1 1 A 9 9 SER HA H 9 4.450 4.793 -0.343 1 1 112 . 2 1 1 A 9 9 SER C C 9 172.800 173.033 -0.233 1 1 113 . 2 1 1 A 9 9 SER CA C 9 58.100 59.780 -1.680 1 1 114 . 2 1 1 A 9 9 SER CB C 9 63.500 65.872 -2.372 1 1 115 . 2 1 1 A 9 9 SER N N 9 112.800 112.624 0.176 1 1 116 . 2 1 1 A 10 10 ALA H H 10 8.330 7.439 0.891 1 1 117 . 2 1 1 A 10 10 ALA HA H 10 4.530 4.733 -0.203 1 1 121 . 2 1 1 A 10 10 ALA C C 10 175.300 174.787 0.513 1 1 122 . 2 1 1 A 10 10 ALA CA C 10 52.400 51.543 0.857 1 1 123 . 2 1 1 A 10 10 ALA CB C 10 20.900 22.779 -1.879 1 1 124 . 2 1 1 A 10 10 ALA N N 10 123.900 120.692 3.208 1 1 125 . 2 1 1 A 11 11 LEU H H 11 8.930 9.028 -0.098 1 1 126 . 2 1 1 A 11 11 LEU HA H 11 4.530 5.039 -0.509 1 1 136 . 2 1 1 A 11 11 LEU C C 11 175.300 175.563 -0.263 1 1 137 . 2 1 1 A 11 11 LEU CA C 11 52.600 53.245 -0.645 1 1 138 . 2 1 1 A 11 11 LEU CB C 11 45.900 45.483 0.417 1 1 142 . 2 1 1 A 11 11 LEU N N 11 123.600 123.052 0.548 1 1 143 . 2 1 1 A 12 12 ASN H H 12 8.800 8.678 0.122 1 1 144 . 2 1 1 A 12 12 ASN HA H 12 5.030 4.855 0.175 1 1 149 . 2 1 1 A 12 12 ASN C C 12 174.000 174.892 -0.892 1 1 150 . 2 1 1 A 12 12 ASN CA C 12 53.800 53.420 0.380 1 1 151 . 2 1 1 A 12 12 ASN CB C 12 39.500 38.956 0.544 1 1 153 . 2 1 1 A 12 12 ASN N N 12 123.600 124.720 -1.120 1 1 155 . 2 1 1 A 13 13 MET H H 13 8.630 9.205 -0.575 1 1 156 . 2 1 1 A 13 13 MET HA H 13 4.970 5.202 -0.232 1 1 164 . 2 1 1 A 13 13 MET C C 13 176.000 175.316 0.684 1 1 165 . 2 1 1 A 13 13 MET CA C 13 54.900 54.126 0.774 1 1 166 . 2 1 1 A 13 13 MET CB C 13 35.200 35.670 -0.470 1 1 169 . 2 1 1 A 13 13 MET N N 13 122.600 124.142 -1.542 1 1 170 . 2 1 1 A 14 14 ARG H H 14 9.730 8.862 0.868 1 1 171 . 2 1 1 A 14 14 ARG HA H 14 5.760 4.699 1.061 1 1 178 . 2 1 1 A 14 14 ARG C C 14 177.700 176.834 0.866 1 1 179 . 2 1 1 A 14 14 ARG CA C 14 54.900 54.626 0.274 1 1 180 . 2 1 1 A 14 14 ARG CB C 14 34.600 32.690 1.910 1 1 183 . 2 1 1 A 14 14 ARG N N 14 125.200 125.276 -0.076 1 1 184 . 2 1 1 A 15 15 SER H H 15 9.010 8.883 0.127 1 1 185 . 2 1 1 A 15 15 SER HA H 15 4.580 4.531 0.049 1 1 188 . 2 1 1 A 15 15 SER C C 15 173.100 174.321 -1.221 1 1 189 . 2 1 1 A 15 15 SER CA C 15 59.100 59.296 -0.196 1 1 190 . 2 1 1 A 15 15 SER CB C 15 63.600 63.936 -0.336 1 1 191 . 2 1 1 A 15 15 SER N N 15 113.600 116.298 -2.698 1 1 192 . 2 1 1 A 16 16 GLY H H 16 6.940 7.366 -0.426 1 1 193 . 2 1 1 A 16 16 GLY HA2 H 16 1.050 3.349 -2.299 1 1 194 . 2 1 1 A 16 16 GLY HA3 H 16 3.010 3.552 -0.542 1 1 195 . 2 1 1 A 16 16 GLY CA C 16 43.700 44.798 -1.098 1 1 196 . 2 1 1 A 16 16 GLY N N 16 109.500 105.786 3.714 1 1 197 . 2 1 1 A 17 17 PRO HA H 17 3.070 3.064 0.006 1 1 204 . 2 1 1 A 17 17 PRO C C 17 172.400 175.303 -2.903 1 1 205 . 2 1 1 A 17 17 PRO CA C 17 60.200 61.358 -1.158 1 1 206 . 2 1 1 A 17 17 PRO CB C 17 28.300 28.724 -0.424 1 1 209 . 2 1 1 A 18 18 GLY H H 18 6.650 7.149 -0.499 1 1 210 . 2 1 1 A 18 18 GLY HA2 H 18 3.630 4.077 -0.447 1 1 211 . 2 1 1 A 18 18 GLY HA3 H 18 4.010 4.161 -0.151 1 1 212 . 2 1 1 A 18 18 GLY C C 18 173.200 174.331 -1.131 1 1 213 . 2 1 1 A 18 18 GLY CA C 18 46.200 45.801 0.399 1 1 214 . 2 1 1 A 18 18 GLY N N 18 110.400 110.050 0.350 1 1 215 . 2 1 1 A 19 19 SER H H 19 8.960 8.986 -0.026 1 1 216 . 2 1 1 A 19 19 SER HA H 19 4.200 4.349 -0.149 1 1 219 . 2 1 1 A 19 19 SER C C 19 173.600 175.218 -1.618 1 1 220 . 2 1 1 A 19 19 SER CA C 19 60.600 61.070 -0.470 1 1 221 . 2 1 1 A 19 19 SER CB C 19 63.200 63.199 0.001 1 1 222 . 2 1 1 A 19 19 SER N N 19 115.800 117.117 -1.317 1 1 223 . 2 1 1 A 20 20 ASN H H 20 8.720 7.968 0.752 1 1 224 . 2 1 1 A 20 20 ASN HA H 20 4.560 4.540 0.020 1 1 229 . 2 1 1 A 20 20 ASN C C 20 175.300 175.954 -0.654 1 1 230 . 2 1 1 A 20 20 ASN CA C 20 53.300 53.817 -0.517 1 1 231 . 2 1 1 A 20 20 ASN CB C 20 37.300 38.152 -0.852 1 1 233 . 2 1 1 A 20 20 ASN N N 20 115.000 119.634 -4.634 1 1 235 . 2 1 1 A 21 21 TYR H H 21 7.040 7.549 -0.509 1 1 236 . 2 1 1 A 21 21 TYR HA H 21 4.290 4.590 -0.300 1 1 243 . 2 1 1 A 21 21 TYR C C 21 175.700 176.147 -0.447 1 1 244 . 2 1 1 A 21 21 TYR CA C 21 58.800 57.976 0.824 1 1 245 . 2 1 1 A 21 21 TYR CB C 21 39.400 38.837 0.563 1 1 250 . 2 1 1 A 21 21 TYR N N 21 119.200 116.023 3.177 1 1 251 . 2 1 1 A 22 22 GLY H H 22 8.450 7.515 0.935 1 1 252 . 2 1 1 A 22 22 GLY HA2 H 22 3.820 4.069 -0.249 1 1 253 . 2 1 1 A 22 22 GLY HA3 H 22 4.090 4.076 0.014 1 1 254 . 2 1 1 A 22 22 GLY C C 22 172.700 172.914 -0.214 1 1 255 . 2 1 1 A 22 22 GLY CA C 22 45.300 45.010 0.290 1 1 256 . 2 1 1 A 22 22 GLY N N 22 107.800 108.505 -0.705 1 1 257 . 2 1 1 A 23 23 VAL H H 23 8.470 8.342 0.128 1 1 258 . 2 1 1 A 23 23 VAL HA H 23 4.320 5.046 -0.726 1 1 266 . 2 1 1 A 23 23 VAL C C 23 178.000 176.730 1.270 1 1 267 . 2 1 1 A 23 23 VAL CA C 23 63.700 60.425 3.275 1 1 268 . 2 1 1 A 23 23 VAL CB C 23 32.700 34.071 -1.371 1 1 271 . 2 1 1 A 23 23 VAL N N 23 120.200 119.157 1.043 1 1 272 . 2 1 1 A 24 24 ILE H H 24 9.120 8.683 0.437 1 1 273 . 2 1 1 A 24 24 ILE HA H 24 4.740 4.643 0.097 1 1 283 . 2 1 1 A 24 24 ILE C C 24 175.300 175.715 -0.415 1 1 284 . 2 1 1 A 24 24 ILE CA C 24 60.500 60.895 -0.395 1 1 285 . 2 1 1 A 24 24 ILE CB C 24 39.900 38.868 1.032 1 1 289 . 2 1 1 A 24 24 ILE N N 24 120.900 124.573 -3.673 1 1 290 . 2 1 1 A 25 25 GLY H H 25 7.770 7.536 0.234 1 1 291 . 2 1 1 A 25 25 GLY HA2 H 25 4.130 4.115 0.015 1 1 292 . 2 1 1 A 25 25 GLY HA3 H 25 4.310 4.122 0.188 1 1 293 . 2 1 1 A 25 25 GLY C C 25 171.100 171.337 -0.237 1 1 294 . 2 1 1 A 25 25 GLY CA C 25 45.500 45.690 -0.190 1 1 295 . 2 1 1 A 25 25 GLY N N 25 109.200 108.968 0.232 1 1 296 . 2 1 1 A 26 26 THR H H 26 8.440 8.433 0.007 1 1 297 . 2 1 1 A 26 26 THR HA H 26 5.080 5.336 -0.256 1 1 302 . 2 1 1 A 26 26 THR C C 26 173.000 173.456 -0.456 1 1 303 . 2 1 1 A 26 26 THR CA C 26 61.400 59.669 1.731 1 1 304 . 2 1 1 A 26 26 THR CB C 26 72.200 72.212 -0.012 1 1 306 . 2 1 1 A 26 26 THR N N 26 113.900 111.534 2.366 1 1 307 . 2 1 1 A 27 27 LEU H H 27 9.180 9.499 -0.319 1 1 308 . 2 1 1 A 27 27 LEU HA H 27 4.480 5.000 -0.520 1 1 318 . 2 1 1 A 27 27 LEU C C 27 174.900 175.715 -0.815 1 1 319 . 2 1 1 A 27 27 LEU CA C 27 53.400 53.406 -0.006 1 1 320 . 2 1 1 A 27 27 LEU CB C 27 45.000 45.159 -0.159 1 1 324 . 2 1 1 A 27 27 LEU N N 27 125.600 123.435 2.165 1 1 325 . 2 1 1 A 28 28 ARG H H 28 9.280 8.712 0.568 1 1 326 . 2 1 1 A 28 28 ARG HA H 28 4.510 4.692 -0.182 1 1 333 . 2 1 1 A 28 28 ARG C C 28 175.300 175.905 -0.605 1 1 334 . 2 1 1 A 28 28 ARG CA C 28 53.300 54.119 -0.819 1 1 335 . 2 1 1 A 28 28 ARG CB C 28 33.100 32.622 0.478 1 1 338 . 2 1 1 A 28 28 ARG N N 28 120.600 121.677 -1.077 1 1 339 . 2 1 1 A 29 29 ASN H H 29 8.360 8.745 -0.385 1 1 340 . 2 1 1 A 29 29 ASN HA H 29 4.070 4.652 -0.582 1 1 345 . 2 1 1 A 29 29 ASN C C 29 176.500 175.415 1.085 1 1 346 . 2 1 1 A 29 29 ASN CA C 29 56.100 53.325 2.775 1 1 347 . 2 1 1 A 29 29 ASN CB C 29 39.300 38.882 0.418 1 1 349 . 2 1 1 A 29 29 ASN N N 29 117.200 120.300 -3.100 1 1 351 . 2 1 1 A 30 30 ASN H H 30 9.290 8.913 0.377 1 1 352 . 2 1 1 A 30 30 ASN HA H 30 4.300 4.398 -0.098 1 1 357 . 2 1 1 A 30 30 ASN C C 30 175.100 174.206 0.894 1 1 358 . 2 1 1 A 30 30 ASN CA C 30 55.500 54.565 0.935 1 1 359 . 2 1 1 A 30 30 ASN CB C 30 37.300 38.201 -0.901 1 1 361 . 2 1 1 A 30 30 ASN N N 30 118.900 118.415 0.485 1 1 363 . 2 1 1 A 31 31 ASP H H 31 8.210 7.627 0.583 1 1 364 . 2 1 1 A 31 31 ASP HA H 31 4.700 4.735 -0.035 1 1 367 . 2 1 1 A 31 31 ASP C C 31 175.300 175.545 -0.245 1 1 368 . 2 1 1 A 31 31 ASP CA C 31 56.500 53.897 2.603 1 1 369 . 2 1 1 A 31 31 ASP CB C 31 41.200 41.366 -0.166 1 1 370 . 2 1 1 A 31 31 ASP N N 31 122.300 120.920 1.380 1 1 371 . 2 1 1 A 32 32 LYS H H 32 8.510 8.725 -0.215 1 1 372 . 2 1 1 A 32 32 LYS HA H 32 5.140 5.248 -0.108 1 1 381 . 2 1 1 A 32 32 LYS C C 32 176.600 175.981 0.619 1 1 382 . 2 1 1 A 32 32 LYS CA C 32 55.400 55.171 0.229 1 1 383 . 2 1 1 A 32 32 LYS CB C 32 33.500 34.823 -1.323 1 1 387 . 2 1 1 A 32 32 LYS N N 32 121.500 125.996 -4.496 1 1 388 . 2 1 1 A 33 33 VAL H H 33 8.650 8.631 0.019 1 1 389 . 2 1 1 A 33 33 VAL HA H 33 5.020 4.918 0.102 1 1 397 . 2 1 1 A 33 33 VAL C C 33 174.200 174.587 -0.387 1 1 398 . 2 1 1 A 33 33 VAL CA C 33 58.200 58.743 -0.543 1 1 399 . 2 1 1 A 33 33 VAL CB C 33 34.900 35.873 -0.973 1 1 402 . 2 1 1 A 33 33 VAL N N 33 113.500 118.106 -4.606 1 1 403 . 2 1 1 A 34 34 GLU H H 34 8.070 8.445 -0.375 1 1 404 . 2 1 1 A 34 34 GLU HA H 34 4.780 4.749 0.031 1 1 409 . 2 1 1 A 34 34 GLU C C 34 176.000 175.927 0.073 1 1 410 . 2 1 1 A 34 34 GLU CA C 34 55.000 56.138 -1.138 1 1 411 . 2 1 1 A 34 34 GLU CB C 34 31.400 30.767 0.633 1 1 413 . 2 1 1 A 34 34 GLU N N 34 122.300 120.751 1.549 1 1 414 . 2 1 1 A 35 35 ILE H H 35 8.610 8.908 -0.298 1 1 415 . 2 1 1 A 35 35 ILE HA H 35 4.100 4.670 -0.570 1 1 425 . 2 1 1 A 35 35 ILE C C 35 175.600 175.578 0.022 1 1 426 . 2 1 1 A 35 35 ILE CA C 35 61.200 60.076 1.124 1 1 427 . 2 1 1 A 35 35 ILE CB C 35 38.800 39.199 -0.399 1 1 431 . 2 1 1 A 35 35 ILE N N 35 125.500 124.261 1.239 1 1 432 . 2 1 1 A 36 36 ILE H H 36 9.450 8.866 0.584 1 1 433 . 2 1 1 A 36 36 ILE HA H 36 3.990 4.159 -0.169 1 1 443 . 2 1 1 A 36 36 ILE C C 36 176.500 176.244 0.256 1 1 444 . 2 1 1 A 36 36 ILE CA C 36 63.100 62.512 0.588 1 1 445 . 2 1 1 A 36 36 ILE CB C 36 38.800 38.321 0.479 1 1 449 . 2 1 1 A 36 36 ILE N N 36 129.500 128.525 0.975 1 1 450 . 2 1 1 A 37 37 LYS H H 37 7.630 7.621 0.009 1 1 451 . 2 1 1 A 37 37 LYS HA H 37 4.670 4.720 -0.050 1 1 460 . 2 1 1 A 37 37 LYS C C 37 173.100 173.821 -0.721 1 1 461 . 2 1 1 A 37 37 LYS CA C 37 55.700 55.136 0.564 1 1 462 . 2 1 1 A 37 37 LYS CB C 37 34.700 34.886 -0.186 1 1 466 . 2 1 1 A 37 37 LYS N N 37 113.300 114.990 -1.690 1 1 467 . 2 1 1 A 38 38 GLU H H 38 8.800 9.008 -0.208 1 1 468 . 2 1 1 A 38 38 GLU HA H 38 5.360 5.281 0.079 1 1 473 . 2 1 1 A 38 38 GLU C C 38 175.300 175.252 0.048 1 1 474 . 2 1 1 A 38 38 GLU CA C 38 55.400 55.056 0.344 1 1 475 . 2 1 1 A 38 38 GLU CB C 38 32.500 32.863 -0.363 1 1 477 . 2 1 1 A 38 38 GLU N N 38 122.000 121.776 0.224 1 1 478 . 2 1 1 A 39 39 VAL H H 39 9.550 9.041 0.509 1 1 479 . 2 1 1 A 39 39 VAL HA H 39 4.360 4.545 -0.185 1 1 487 . 2 1 1 A 39 39 VAL C C 39 174.500 175.707 -1.207 1 1 488 . 2 1 1 A 39 39 VAL CA C 39 61.600 61.171 0.429 1 1 489 . 2 1 1 A 39 39 VAL CB C 39 34.400 34.498 -0.098 1 1 492 . 2 1 1 A 39 39 VAL N N 39 126.000 125.856 0.144 1 1 493 . 2 1 1 A 40 40 ASP H H 40 8.960 9.468 -0.508 1 1 494 . 2 1 1 A 40 40 ASP HA H 40 4.340 4.382 -0.042 1 1 497 . 2 1 1 A 40 40 ASP C C 40 175.800 176.344 -0.544 1 1 498 . 2 1 1 A 40 40 ASP CA C 40 55.900 55.703 0.197 1 1 499 . 2 1 1 A 40 40 ASP CB C 40 40.700 39.624 1.076 1 1 500 . 2 1 1 A 40 40 ASP N N 40 125.700 129.073 -3.373 1 1 501 . 2 1 1 A 41 41 GLY H H 41 8.870 8.249 0.621 1 1 502 . 2 1 1 A 41 41 GLY HA2 H 41 3.510 3.695 -0.185 1 1 503 . 2 1 1 A 41 41 GLY HA3 H 41 4.190 3.764 0.426 1 1 504 . 2 1 1 A 41 41 GLY C C 41 173.900 174.198 -0.298 1 1 505 . 2 1 1 A 41 41 GLY CA C 41 45.700 45.196 0.504 1 1 506 . 2 1 1 A 41 41 GLY N N 41 105.500 104.654 0.846 1 1 507 . 2 1 1 A 42 42 TRP H H 42 8.580 7.826 0.754 1 1 508 . 2 1 1 A 42 42 TRP HA H 42 4.700 4.584 0.116 1 1 517 . 2 1 1 A 42 42 TRP C C 42 175.300 175.784 -0.484 1 1 518 . 2 1 1 A 42 42 TRP CA C 42 56.300 57.744 -1.444 1 1 519 . 2 1 1 A 42 42 TRP CB C 42 31.300 30.226 1.074 1 1 525 . 2 1 1 A 42 42 TRP N N 42 122.900 120.461 2.439 1 1 527 . 2 1 1 A 43 43 TYR H H 43 9.400 8.562 0.838 1 1 528 . 2 1 1 A 43 43 TYR HA H 43 5.630 5.132 0.498 1 1 535 . 2 1 1 A 43 43 TYR C C 43 175.800 175.064 0.736 1 1 536 . 2 1 1 A 43 43 TYR CA C 43 55.900 56.762 -0.862 1 1 537 . 2 1 1 A 43 43 TYR CB C 43 40.200 40.791 -0.591 1 1 542 . 2 1 1 A 43 43 TYR N N 43 119.000 122.220 -3.220 1 1 543 . 2 1 1 A 44 44 GLU H H 44 9.110 8.993 0.117 1 1 544 . 2 1 1 A 44 44 GLU HA H 44 4.040 4.331 -0.291 1 1 549 . 2 1 1 A 44 44 GLU C C 44 175.500 176.280 -0.780 1 1 550 . 2 1 1 A 44 44 GLU CA C 44 55.500 55.692 -0.192 1 1 551 . 2 1 1 A 44 44 GLU CB C 44 31.200 30.998 0.202 1 1 553 . 2 1 1 A 44 44 GLU N N 44 125.600 124.564 1.036 1 1 554 . 2 1 1 A 45 45 ILE H H 45 9.300 8.578 0.722 1 1 555 . 2 1 1 A 45 45 ILE HA H 45 5.550 5.439 0.111 1 1 565 . 2 1 1 A 45 45 ILE C C 45 173.700 173.461 0.239 1 1 566 . 2 1 1 A 45 45 ILE CA C 45 58.300 58.593 -0.293 1 1 567 . 2 1 1 A 45 45 ILE CB C 45 43.200 41.995 1.205 1 1 571 . 2 1 1 A 45 45 ILE N N 45 122.700 121.182 1.518 1 1 572 . 2 1 1 A 46 46 ARG H H 46 8.730 8.372 0.358 1 1 573 . 2 1 1 A 46 46 ARG HA H 46 5.310 5.531 -0.221 1 1 580 . 2 1 1 A 46 46 ARG C C 46 176.400 174.838 1.562 1 1 581 . 2 1 1 A 46 46 ARG CA C 46 54.400 54.394 0.006 1 1 582 . 2 1 1 A 46 46 ARG CB C 46 33.600 33.514 0.086 1 1 585 . 2 1 1 A 46 46 ARG N N 46 118.900 122.515 -3.615 1 1 586 . 2 1 1 A 47 47 PHE H H 47 9.080 9.658 -0.578 1 1 587 . 2 1 1 A 47 47 PHE HA H 47 4.850 4.829 0.021 1 1 595 . 2 1 1 A 47 47 PHE C C 47 174.500 175.000 -0.500 1 1 596 . 2 1 1 A 47 47 PHE CA C 47 57.300 57.805 -0.505 1 1 597 . 2 1 1 A 47 47 PHE CB C 47 42.500 42.818 -0.318 1 1 603 . 2 1 1 A 47 47 PHE N N 47 126.500 127.145 -0.645 1 1 604 . 2 1 1 A 48 48 ASN H H 48 9.140 8.387 0.753 1 1 605 . 2 1 1 A 48 48 ASN HA H 48 4.080 4.208 -0.128 1 1 610 . 2 1 1 A 48 48 ASN C C 48 175.100 175.262 -0.162 1 1 611 . 2 1 1 A 48 48 ASN CA C 48 53.500 53.766 -0.266 1 1 612 . 2 1 1 A 48 48 ASN CB C 48 37.100 36.187 0.913 1 1 614 . 2 1 1 A 48 48 ASN N N 48 128.500 124.927 3.573 1 1 616 . 2 1 1 A 49 49 GLY H H 49 8.600 8.597 0.003 1 1 617 . 2 1 1 A 49 49 GLY HA2 H 49 3.510 3.859 -0.349 1 1 618 . 2 1 1 A 49 49 GLY HA3 H 49 4.110 3.860 0.250 1 1 619 . 2 1 1 A 49 49 GLY C C 49 173.600 173.762 -0.162 1 1 620 . 2 1 1 A 49 49 GLY CA C 49 45.600 45.446 0.154 1 1 621 . 2 1 1 A 49 49 GLY N N 49 103.100 108.604 -5.504 1 1 622 . 2 1 1 A 50 50 LYS H H 50 7.850 8.492 -0.642 1 1 623 . 2 1 1 A 50 50 LYS HA H 50 4.620 4.908 -0.288 1 1 632 . 2 1 1 A 50 50 LYS C C 50 174.600 175.032 -0.432 1 1 633 . 2 1 1 A 50 50 LYS CA C 50 54.900 54.256 0.644 1 1 634 . 2 1 1 A 50 50 LYS CB C 50 35.100 35.379 -0.279 1 1 638 . 2 1 1 A 50 50 LYS N N 50 121.700 120.422 1.278 1 1 639 . 2 1 1 A 51 51 VAL H H 51 8.120 8.713 -0.593 1 1 640 . 2 1 1 A 51 51 VAL HA H 51 5.100 5.092 0.008 1 1 648 . 2 1 1 A 51 51 VAL C C 51 176.100 175.579 0.521 1 1 649 . 2 1 1 A 51 51 VAL CA C 51 60.700 60.198 0.502 1 1 650 . 2 1 1 A 51 51 VAL CB C 51 33.400 34.199 -0.799 1 1 653 . 2 1 1 A 51 51 VAL N N 51 122.100 122.709 -0.609 1 1 654 . 2 1 1 A 52 52 GLY H H 52 8.430 8.213 0.217 1 1 655 . 2 1 1 A 52 52 GLY HA2 H 52 3.760 4.305 -0.545 1 1 656 . 2 1 1 A 52 52 GLY HA3 H 52 4.230 4.343 -0.113 1 1 657 . 2 1 1 A 52 52 GLY C C 52 170.300 171.612 -1.312 1 1 658 . 2 1 1 A 52 52 GLY CA C 52 45.600 45.779 -0.179 1 1 659 . 2 1 1 A 52 52 GLY N N 52 113.100 112.791 0.309 1 1 660 . 2 1 1 A 53 53 TYR H H 53 9.260 9.125 0.135 1 1 661 . 2 1 1 A 53 53 TYR HA H 53 5.990 5.718 0.272 1 1 668 . 2 1 1 A 53 53 TYR C C 53 175.700 175.235 0.465 1 1 669 . 2 1 1 A 53 53 TYR CA C 53 56.800 56.775 0.025 1 1 670 . 2 1 1 A 53 53 TYR CB C 53 42.800 43.287 -0.487 1 1 675 . 2 1 1 A 53 53 TYR N N 53 118.000 119.137 -1.137 1 1 676 . 2 1 1 A 54 54 ALA H H 54 9.210 8.488 0.722 1 1 677 . 2 1 1 A 54 54 ALA HA H 54 5.280 5.398 -0.118 1 1 681 . 2 1 1 A 54 54 ALA C C 54 175.800 175.603 0.197 1 1 682 . 2 1 1 A 54 54 ALA CA C 54 50.900 51.091 -0.191 1 1 683 . 2 1 1 A 54 54 ALA CB C 54 23.800 23.522 0.278 1 1 684 . 2 1 1 A 54 54 ALA N N 54 122.000 122.787 -0.787 1 1 685 . 2 1 1 A 55 55 SER H H 55 8.620 8.694 -0.074 1 1 686 . 2 1 1 A 55 55 SER HA H 55 3.270 3.313 -0.043 1 1 689 . 2 1 1 A 55 55 SER C C 55 175.400 176.171 -0.771 1 1 690 . 2 1 1 A 55 55 SER CA C 55 59.100 58.066 1.034 1 1 691 . 2 1 1 A 55 55 SER CB C 55 63.200 63.275 -0.075 1 1 692 . 2 1 1 A 55 55 SER N N 55 117.400 115.123 2.277 1 1 693 . 2 1 1 A 56 56 LYS H H 56 7.630 8.215 -0.585 1 1 694 . 2 1 1 A 56 56 LYS HA H 56 3.750 4.273 -0.523 1 1 703 . 2 1 1 A 56 56 LYS C C 56 177.100 178.063 -0.963 1 1 704 . 2 1 1 A 56 56 LYS CA C 56 58.600 58.248 0.352 1 1 705 . 2 1 1 A 56 56 LYS CB C 56 32.300 32.083 0.217 1 1 709 . 2 1 1 A 56 56 LYS N N 56 124.500 124.684 -0.184 1 1 710 . 2 1 1 A 57 57 SER H H 57 7.670 7.679 -0.009 1 1 711 . 2 1 1 A 57 57 SER HA H 57 3.930 4.144 -0.214 1 1 714 . 2 1 1 A 57 57 SER C C 57 174.100 174.441 -0.341 1 1 715 . 2 1 1 A 57 57 SER CA C 57 60.700 61.024 -0.324 1 1 716 . 2 1 1 A 57 57 SER CB C 57 62.800 63.174 -0.374 1 1 717 . 2 1 1 A 57 57 SER N N 57 112.000 117.493 -5.493 1 1 718 . 2 1 1 A 58 58 TYR H H 58 6.990 8.007 -1.017 1 1 719 . 2 1 1 A 58 58 TYR HA H 58 4.800 4.794 0.006 1 1 726 . 2 1 1 A 58 58 TYR C C 58 173.300 174.760 -1.460 1 1 727 . 2 1 1 A 58 58 TYR CA C 58 57.400 57.507 -0.107 1 1 728 . 2 1 1 A 58 58 TYR CB C 58 40.500 39.318 1.182 1 1 733 . 2 1 1 A 58 58 TYR N N 58 116.100 116.947 -0.847 1 1 734 . 2 1 1 A 59 59 ILE H H 59 7.300 7.616 -0.316 1 1 735 . 2 1 1 A 59 59 ILE HA H 59 4.790 4.793 -0.003 1 1 745 . 2 1 1 A 59 59 ILE C C 59 174.500 174.231 0.269 1 1 746 . 2 1 1 A 59 59 ILE CA C 59 59.300 60.392 -1.092 1 1 747 . 2 1 1 A 59 59 ILE CB C 59 40.800 40.902 -0.102 1 1 751 . 2 1 1 A 59 59 ILE N N 59 119.000 120.509 -1.509 1 1 752 . 2 1 1 A 60 60 THR H H 60 8.980 8.765 0.215 1 1 753 . 2 1 1 A 60 60 THR HA H 60 4.580 4.933 -0.353 1 1 758 . 2 1 1 A 60 60 THR C C 60 173.800 173.148 0.652 1 1 759 . 2 1 1 A 60 60 THR CA C 60 60.800 61.599 -0.799 1 1 760 . 2 1 1 A 60 60 THR CB C 60 71.100 71.169 -0.069 1 1 762 . 2 1 1 A 60 60 THR N N 60 123.600 123.685 -0.085 1 1 763 . 2 1 1 A 61 61 ILE H H 61 8.680 8.514 0.166 1 1 764 . 2 1 1 A 61 61 ILE HA H 61 4.180 4.317 -0.137 1 1 774 . 2 1 1 A 61 61 ILE C C 61 176.400 175.872 0.528 1 1 775 . 2 1 1 A 61 61 ILE CA C 61 61.800 61.616 0.184 1 1 776 . 2 1 1 A 61 61 ILE CB C 61 37.900 37.567 0.333 1 1 780 . 2 1 1 A 61 61 ILE N N 61 127.200 128.172 -0.972 1 1 781 . 2 1 1 A 62 62 VAL H H 62 8.370 8.148 0.222 1 1 782 . 2 1 1 A 62 62 VAL HA H 62 4.140 4.555 -0.415 1 1 790 . 2 1 1 A 62 62 VAL C C 62 175.200 175.737 -0.537 1 1 791 . 2 1 1 A 62 62 VAL CA C 62 61.800 60.585 1.215 1 1 792 . 2 1 1 A 62 62 VAL CB C 62 33.200 33.866 -0.666 1 1 795 . 2 1 1 A 62 62 VAL N N 62 126.600 123.359 3.241 1 1 796 . 2 1 1 A 63 63 ASN H H 63 8.590 8.512 0.078 1 1 797 . 2 1 1 A 63 63 ASN HA H 63 4.730 4.628 0.102 1 1 802 . 2 1 1 A 63 63 ASN C C 63 175.200 174.513 0.687 1 1 803 . 2 1 1 A 63 63 ASN CA C 63 53.200 54.009 -0.809 1 1 804 . 2 1 1 A 63 63 ASN CB C 63 39.100 38.480 0.620 1 1 806 . 2 1 1 A 63 63 ASN N N 63 123.500 119.839 3.661 1 1 808 . 2 1 1 A 64 64 GLU H H 64 8.620 8.521 0.099 1 1 809 . 2 1 1 A 64 64 GLU HA H 64 4.250 4.136 0.114 1 1 814 . 2 1 1 A 64 64 GLU C C 64 177.000 177.005 -0.005 1 1 815 . 2 1 1 A 64 64 GLU CA C 64 57.100 57.208 -0.108 1 1 816 . 2 1 1 A 64 64 GLU CB C 64 30.400 29.581 0.819 1 1 818 . 2 1 1 A 64 64 GLU N N 64 122.700 121.044 1.656 1 1 819 . 2 1 1 A 65 65 GLY H H 65 8.490 8.714 -0.224 1 1 820 . 2 1 1 A 65 65 GLY HA2 H 65 3.980 4.069 -0.089 1 1 821 . 2 1 1 A 65 65 GLY HA3 H 65 3.980 4.080 -0.100 1 1 822 . 2 1 1 A 65 65 GLY C C 65 174.300 173.604 0.696 1 1 823 . 2 1 1 A 65 65 GLY CA C 65 45.500 45.151 0.349 1 1 824 . 2 1 1 A 65 65 GLY N N 65 109.600 112.425 -2.825 1 1 825 . 2 1 1 A 66 66 SER H H 66 8.180 7.870 0.310 1 1 826 . 2 1 1 A 66 66 SER HA H 66 4.450 4.933 -0.483 1 1 829 . 2 1 1 A 66 66 SER C C 66 174.900 172.009 2.891 1 1 830 . 2 1 1 A 66 66 SER CA C 66 58.300 57.353 0.947 1 1 831 . 2 1 1 A 66 66 SER CB C 66 63.700 66.955 -3.255 1 1 832 . 2 1 1 A 66 66 SER N N 66 115.500 114.199 1.301 1 1 833 . 2 1 1 A 67 67 LEU H H 67 8.300 8.369 -0.069 1 1 834 . 2 1 1 A 67 67 LEU HA H 67 4.300 4.815 -0.515 1 1 844 . 2 1 1 A 67 67 LEU C C 67 177.500 176.341 1.159 1 1 845 . 2 1 1 A 67 67 LEU CA C 67 55.400 54.261 1.139 1 1 846 . 2 1 1 A 67 67 LEU CB C 67 42.200 43.386 -1.186 1 1 850 . 2 1 1 A 67 67 LEU N N 67 123.800 124.686 -0.886 1 1 851 . 2 1 1 A 68 68 GLU H H 68 8.270 8.904 -0.634 1 1 852 . 2 1 1 A 68 68 GLU HA H 68 4.160 4.636 -0.476 1 1 857 . 2 1 1 A 68 68 GLU CA C 68 56.900 56.596 0.304 1 1 858 . 2 1 1 A 68 68 GLU CB C 68 30.100 30.900 -0.800 1 1 860 . 2 1 1 A 68 68 GLU N N 68 120.700 128.306 -7.606 1 1 861 . 2 1 1 A 69 69 HIS C C 69 173.900 173.096 0.804 1 1 862 . 2 1 1 A 70 70 HIS H H 70 8.140 8.753 -0.613 1 1 863 . 2 1 1 A 70 70 HIS CA C 70 57.200 54.179 3.021 1 1 864 . 2 1 1 A 70 70 HIS CB C 70 30.200 32.242 -2.042 1 1 14 . 3 1 1 A 2 2 GLN H H 2 9.330 8.954 0.376 1 1 15 . 3 1 1 A 2 2 GLN HA H 2 5.000 5.094 -0.094 1 1 22 . 3 1 1 A 2 2 GLN C C 2 174.500 175.812 -1.312 1 1 23 . 3 1 1 A 2 2 GLN CA C 2 55.500 54.035 1.465 1 1 24 . 3 1 1 A 2 2 GLN CB C 2 31.700 31.532 0.168 1 1 26 . 3 1 1 A 2 2 GLN N N 2 125.400 125.486 -0.086 1 1 28 . 3 1 1 A 3 3 GLY H H 3 8.860 8.876 -0.016 1 1 29 . 3 1 1 A 3 3 GLY HA2 H 3 3.070 4.058 -0.988 1 1 30 . 3 1 1 A 3 3 GLY HA3 H 3 5.250 4.088 1.162 1 1 31 . 3 1 1 A 3 3 GLY C C 3 171.800 172.488 -0.688 1 1 32 . 3 1 1 A 3 3 GLY CA C 3 44.300 44.381 -0.081 1 1 33 . 3 1 1 A 3 3 GLY N N 3 108.200 112.412 -4.212 1 1 34 . 3 1 1 A 4 4 VAL H H 4 9.060 8.495 0.565 1 1 35 . 3 1 1 A 4 4 VAL HA H 4 5.080 4.804 0.276 1 1 43 . 3 1 1 A 4 4 VAL C C 4 174.500 174.625 -0.125 1 1 44 . 3 1 1 A 4 4 VAL CA C 4 59.800 60.492 -0.692 1 1 45 . 3 1 1 A 4 4 VAL CB C 4 35.300 34.803 0.497 1 1 48 . 3 1 1 A 4 4 VAL N N 4 120.200 120.779 -0.579 1 1 49 . 3 1 1 A 5 5 VAL H H 5 8.750 9.058 -0.308 1 1 50 . 3 1 1 A 5 5 VAL HA H 5 4.190 4.735 -0.545 1 1 58 . 3 1 1 A 5 5 VAL C C 5 175.800 175.197 0.603 1 1 59 . 3 1 1 A 5 5 VAL CA C 5 62.800 61.915 0.885 1 1 60 . 3 1 1 A 5 5 VAL CB C 5 31.900 32.066 -0.166 1 1 63 . 3 1 1 A 5 5 VAL N N 5 128.600 128.291 0.309 1 1 64 . 3 1 1 A 6 6 LYS H H 6 8.830 9.072 -0.242 1 1 65 . 3 1 1 A 6 6 LYS HA H 6 5.250 5.025 0.225 1 1 74 . 3 1 1 A 6 6 LYS C C 6 174.800 175.607 -0.807 1 1 75 . 3 1 1 A 6 6 LYS CA C 6 54.300 55.099 -0.799 1 1 76 . 3 1 1 A 6 6 LYS CB C 6 33.200 34.269 -1.069 1 1 80 . 3 1 1 A 6 6 LYS N N 6 131.400 127.638 3.762 1 1 81 . 3 1 1 A 7 7 VAL H H 7 8.270 8.962 -0.692 1 1 82 . 3 1 1 A 7 7 VAL HA H 7 4.640 4.841 -0.201 1 1 90 . 3 1 1 A 7 7 VAL C C 7 173.400 176.206 -2.806 1 1 91 . 3 1 1 A 7 7 VAL CA C 7 59.700 60.324 -0.624 1 1 92 . 3 1 1 A 7 7 VAL CB C 7 35.400 35.303 0.097 1 1 95 . 3 1 1 A 7 7 VAL N N 7 119.000 124.154 -5.154 1 1 96 . 3 1 1 A 8 8 ASN H H 8 8.560 9.161 -0.601 1 1 97 . 3 1 1 A 8 8 ASN HA H 8 4.690 4.417 0.273 1 1 102 . 3 1 1 A 8 8 ASN C C 8 175.600 176.386 -0.786 1 1 103 . 3 1 1 A 8 8 ASN CA C 8 54.500 56.010 -1.510 1 1 104 . 3 1 1 A 8 8 ASN CB C 8 38.700 38.673 0.027 1 1 106 . 3 1 1 A 8 8 ASN N N 8 120.700 126.238 -5.538 1 1 108 . 3 1 1 A 9 9 SER H H 9 7.630 8.046 -0.416 1 1 109 . 3 1 1 A 9 9 SER HA H 9 4.450 4.654 -0.204 1 1 112 . 3 1 1 A 9 9 SER C C 9 172.800 173.887 -1.087 1 1 113 . 3 1 1 A 9 9 SER CA C 9 58.100 59.380 -1.280 1 1 114 . 3 1 1 A 9 9 SER CB C 9 63.500 65.093 -1.593 1 1 115 . 3 1 1 A 9 9 SER N N 9 112.800 112.043 0.757 1 1 116 . 3 1 1 A 10 10 ALA H H 10 8.330 7.702 0.628 1 1 117 . 3 1 1 A 10 10 ALA HA H 10 4.530 4.646 -0.116 1 1 121 . 3 1 1 A 10 10 ALA C C 10 175.300 174.718 0.582 1 1 122 . 3 1 1 A 10 10 ALA CA C 10 52.400 51.365 1.035 1 1 123 . 3 1 1 A 10 10 ALA CB C 10 20.900 22.861 -1.961 1 1 124 . 3 1 1 A 10 10 ALA N N 10 123.900 117.637 6.263 1 1 125 . 3 1 1 A 11 11 LEU H H 11 8.930 8.629 0.301 1 1 126 . 3 1 1 A 11 11 LEU HA H 11 4.530 4.844 -0.314 1 1 136 . 3 1 1 A 11 11 LEU C C 11 175.300 174.977 0.323 1 1 137 . 3 1 1 A 11 11 LEU CA C 11 52.600 53.375 -0.775 1 1 138 . 3 1 1 A 11 11 LEU CB C 11 45.900 45.690 0.210 1 1 142 . 3 1 1 A 11 11 LEU N N 11 123.600 123.130 0.470 1 1 143 . 3 1 1 A 12 12 ASN H H 12 8.800 8.687 0.113 1 1 144 . 3 1 1 A 12 12 ASN HA H 12 5.030 4.967 0.063 1 1 149 . 3 1 1 A 12 12 ASN C C 12 174.000 174.997 -0.997 1 1 150 . 3 1 1 A 12 12 ASN CA C 12 53.800 53.108 0.692 1 1 151 . 3 1 1 A 12 12 ASN CB C 12 39.500 39.319 0.181 1 1 153 . 3 1 1 A 12 12 ASN N N 12 123.600 124.566 -0.966 1 1 155 . 3 1 1 A 13 13 MET H H 13 8.630 8.920 -0.290 1 1 156 . 3 1 1 A 13 13 MET HA H 13 4.970 4.933 0.037 1 1 164 . 3 1 1 A 13 13 MET C C 13 176.000 174.966 1.034 1 1 165 . 3 1 1 A 13 13 MET CA C 13 54.900 54.581 0.319 1 1 166 . 3 1 1 A 13 13 MET CB C 13 35.200 34.408 0.792 1 1 169 . 3 1 1 A 13 13 MET N N 13 122.600 124.220 -1.620 1 1 170 . 3 1 1 A 14 14 ARG H H 14 9.730 8.820 0.910 1 1 171 . 3 1 1 A 14 14 ARG HA H 14 5.760 4.854 0.906 1 1 178 . 3 1 1 A 14 14 ARG C C 14 177.700 176.939 0.761 1 1 179 . 3 1 1 A 14 14 ARG CA C 14 54.900 55.210 -0.310 1 1 180 . 3 1 1 A 14 14 ARG CB C 14 34.600 32.709 1.891 1 1 183 . 3 1 1 A 14 14 ARG N N 14 125.200 124.946 0.254 1 1 184 . 3 1 1 A 15 15 SER H H 15 9.010 8.834 0.176 1 1 185 . 3 1 1 A 15 15 SER HA H 15 4.580 4.688 -0.108 1 1 188 . 3 1 1 A 15 15 SER C C 15 173.100 174.760 -1.660 1 1 189 . 3 1 1 A 15 15 SER CA C 15 59.100 59.480 -0.380 1 1 190 . 3 1 1 A 15 15 SER CB C 15 63.600 63.799 -0.199 1 1 191 . 3 1 1 A 15 15 SER N N 15 113.600 117.600 -4.000 1 1 192 . 3 1 1 A 16 16 GLY H H 16 6.940 7.696 -0.756 1 1 193 . 3 1 1 A 16 16 GLY HA2 H 16 1.050 3.450 -2.400 1 1 194 . 3 1 1 A 16 16 GLY HA3 H 16 3.010 3.516 -0.506 1 1 195 . 3 1 1 A 16 16 GLY CA C 16 43.700 44.650 -0.950 1 1 196 . 3 1 1 A 16 16 GLY N N 16 109.500 106.267 3.233 1 1 197 . 3 1 1 A 17 17 PRO HA H 17 3.070 3.430 -0.360 1 1 204 . 3 1 1 A 17 17 PRO C C 17 172.400 175.405 -3.005 1 1 205 . 3 1 1 A 17 17 PRO CA C 17 60.200 62.557 -2.357 1 1 206 . 3 1 1 A 17 17 PRO CB C 17 28.300 31.581 -3.281 1 1 209 . 3 1 1 A 18 18 GLY H H 18 6.650 7.349 -0.699 1 1 210 . 3 1 1 A 18 18 GLY HA2 H 18 3.630 3.747 -0.117 1 1 211 . 3 1 1 A 18 18 GLY HA3 H 18 4.010 3.840 0.170 1 1 212 . 3 1 1 A 18 18 GLY C C 18 173.200 174.789 -1.589 1 1 213 . 3 1 1 A 18 18 GLY CA C 18 46.200 44.513 1.687 1 1 214 . 3 1 1 A 18 18 GLY N N 18 110.400 108.860 1.540 1 1 215 . 3 1 1 A 19 19 SER H H 19 8.960 9.123 -0.163 1 1 216 . 3 1 1 A 19 19 SER HA H 19 4.200 4.483 -0.283 1 1 219 . 3 1 1 A 19 19 SER C C 19 173.600 175.120 -1.520 1 1 220 . 3 1 1 A 19 19 SER CA C 19 60.600 61.067 -0.467 1 1 221 . 3 1 1 A 19 19 SER CB C 19 63.200 63.246 -0.046 1 1 222 . 3 1 1 A 19 19 SER N N 19 115.800 118.999 -3.199 1 1 223 . 3 1 1 A 20 20 ASN H H 20 8.720 8.088 0.632 1 1 224 . 3 1 1 A 20 20 ASN HA H 20 4.560 4.829 -0.269 1 1 229 . 3 1 1 A 20 20 ASN C C 20 175.300 175.862 -0.562 1 1 230 . 3 1 1 A 20 20 ASN CA C 20 53.300 53.437 -0.137 1 1 231 . 3 1 1 A 20 20 ASN CB C 20 37.300 39.091 -1.791 1 1 233 . 3 1 1 A 20 20 ASN N N 20 115.000 119.025 -4.025 1 1 235 . 3 1 1 A 21 21 TYR H H 21 7.040 7.812 -0.772 1 1 236 . 3 1 1 A 21 21 TYR HA H 21 4.290 4.623 -0.333 1 1 243 . 3 1 1 A 21 21 TYR C C 21 175.700 176.044 -0.344 1 1 244 . 3 1 1 A 21 21 TYR CA C 21 58.800 58.014 0.786 1 1 245 . 3 1 1 A 21 21 TYR CB C 21 39.400 38.791 0.609 1 1 250 . 3 1 1 A 21 21 TYR N N 21 119.200 116.794 2.406 1 1 251 . 3 1 1 A 22 22 GLY H H 22 8.450 7.989 0.461 1 1 252 . 3 1 1 A 22 22 GLY HA2 H 22 3.820 4.099 -0.279 1 1 253 . 3 1 1 A 22 22 GLY HA3 H 22 4.090 4.103 -0.013 1 1 254 . 3 1 1 A 22 22 GLY C C 22 172.700 172.770 -0.070 1 1 255 . 3 1 1 A 22 22 GLY CA C 22 45.300 44.788 0.512 1 1 256 . 3 1 1 A 22 22 GLY N N 22 107.800 108.288 -0.488 1 1 257 . 3 1 1 A 23 23 VAL H H 23 8.470 8.320 0.150 1 1 258 . 3 1 1 A 23 23 VAL HA H 23 4.320 5.025 -0.705 1 1 266 . 3 1 1 A 23 23 VAL C C 23 178.000 176.811 1.189 1 1 267 . 3 1 1 A 23 23 VAL CA C 23 63.700 60.466 3.234 1 1 268 . 3 1 1 A 23 23 VAL CB C 23 32.700 34.060 -1.360 1 1 271 . 3 1 1 A 23 23 VAL N N 23 120.200 119.027 1.173 1 1 272 . 3 1 1 A 24 24 ILE H H 24 9.120 8.579 0.541 1 1 273 . 3 1 1 A 24 24 ILE HA H 24 4.740 4.657 0.083 1 1 283 . 3 1 1 A 24 24 ILE C C 24 175.300 175.735 -0.435 1 1 284 . 3 1 1 A 24 24 ILE CA C 24 60.500 60.848 -0.348 1 1 285 . 3 1 1 A 24 24 ILE CB C 24 39.900 38.932 0.968 1 1 289 . 3 1 1 A 24 24 ILE N N 24 120.900 124.354 -3.454 1 1 290 . 3 1 1 A 25 25 GLY H H 25 7.770 7.552 0.218 1 1 291 . 3 1 1 A 25 25 GLY HA2 H 25 4.130 4.121 0.009 1 1 292 . 3 1 1 A 25 25 GLY HA3 H 25 4.310 4.137 0.173 1 1 293 . 3 1 1 A 25 25 GLY C C 25 171.100 171.404 -0.304 1 1 294 . 3 1 1 A 25 25 GLY CA C 25 45.500 45.803 -0.303 1 1 295 . 3 1 1 A 25 25 GLY N N 25 109.200 109.156 0.044 1 1 296 . 3 1 1 A 26 26 THR H H 26 8.440 8.495 -0.055 1 1 297 . 3 1 1 A 26 26 THR HA H 26 5.080 5.296 -0.216 1 1 302 . 3 1 1 A 26 26 THR C C 26 173.000 173.542 -0.542 1 1 303 . 3 1 1 A 26 26 THR CA C 26 61.400 59.668 1.732 1 1 304 . 3 1 1 A 26 26 THR CB C 26 72.200 72.150 0.050 1 1 306 . 3 1 1 A 26 26 THR N N 26 113.900 111.774 2.126 1 1 307 . 3 1 1 A 27 27 LEU H H 27 9.180 9.058 0.122 1 1 308 . 3 1 1 A 27 27 LEU HA H 27 4.480 5.094 -0.614 1 1 318 . 3 1 1 A 27 27 LEU C C 27 174.900 175.668 -0.768 1 1 319 . 3 1 1 A 27 27 LEU CA C 27 53.400 53.520 -0.120 1 1 320 . 3 1 1 A 27 27 LEU CB C 27 45.000 45.516 -0.516 1 1 324 . 3 1 1 A 27 27 LEU N N 27 125.600 123.476 2.124 1 1 325 . 3 1 1 A 28 28 ARG H H 28 9.280 8.754 0.526 1 1 326 . 3 1 1 A 28 28 ARG HA H 28 4.510 4.903 -0.393 1 1 333 . 3 1 1 A 28 28 ARG C C 28 175.300 175.914 -0.614 1 1 334 . 3 1 1 A 28 28 ARG CA C 28 53.300 53.842 -0.542 1 1 335 . 3 1 1 A 28 28 ARG CB C 28 33.100 33.259 -0.159 1 1 338 . 3 1 1 A 28 28 ARG N N 28 120.600 121.592 -0.992 1 1 339 . 3 1 1 A 29 29 ASN H H 29 8.360 8.625 -0.265 1 1 340 . 3 1 1 A 29 29 ASN HA H 29 4.070 4.894 -0.824 1 1 345 . 3 1 1 A 29 29 ASN C C 29 176.500 175.110 1.390 1 1 346 . 3 1 1 A 29 29 ASN CA C 29 56.100 53.089 3.011 1 1 347 . 3 1 1 A 29 29 ASN CB C 29 39.300 39.236 0.064 1 1 349 . 3 1 1 A 29 29 ASN N N 29 117.200 120.020 -2.820 1 1 351 . 3 1 1 A 30 30 ASN H H 30 9.290 8.731 0.559 1 1 352 . 3 1 1 A 30 30 ASN HA H 30 4.300 4.280 0.020 1 1 357 . 3 1 1 A 30 30 ASN C C 30 175.100 174.340 0.760 1 1 358 . 3 1 1 A 30 30 ASN CA C 30 55.500 54.618 0.882 1 1 359 . 3 1 1 A 30 30 ASN CB C 30 37.300 37.122 0.178 1 1 361 . 3 1 1 A 30 30 ASN N N 30 118.900 114.753 4.147 1 1 363 . 3 1 1 A 31 31 ASP H H 31 8.210 7.473 0.737 1 1 364 . 3 1 1 A 31 31 ASP HA H 31 4.700 4.664 0.036 1 1 367 . 3 1 1 A 31 31 ASP C C 31 175.300 175.644 -0.344 1 1 368 . 3 1 1 A 31 31 ASP CA C 31 56.500 53.801 2.699 1 1 369 . 3 1 1 A 31 31 ASP CB C 31 41.200 40.919 0.281 1 1 370 . 3 1 1 A 31 31 ASP N N 31 122.300 118.597 3.703 1 1 371 . 3 1 1 A 32 32 LYS H H 32 8.510 8.523 -0.013 1 1 372 . 3 1 1 A 32 32 LYS HA H 32 5.140 4.819 0.321 1 1 381 . 3 1 1 A 32 32 LYS C C 32 176.600 175.783 0.817 1 1 382 . 3 1 1 A 32 32 LYS CA C 32 55.400 55.671 -0.271 1 1 383 . 3 1 1 A 32 32 LYS CB C 32 33.500 33.076 0.424 1 1 387 . 3 1 1 A 32 32 LYS N N 32 121.500 121.907 -0.407 1 1 388 . 3 1 1 A 33 33 VAL H H 33 8.650 8.660 -0.010 1 1 389 . 3 1 1 A 33 33 VAL HA H 33 5.020 4.904 0.116 1 1 397 . 3 1 1 A 33 33 VAL C C 33 174.200 174.061 0.139 1 1 398 . 3 1 1 A 33 33 VAL CA C 33 58.200 58.728 -0.528 1 1 399 . 3 1 1 A 33 33 VAL CB C 33 34.900 35.748 -0.848 1 1 402 . 3 1 1 A 33 33 VAL N N 33 113.500 118.731 -5.231 1 1 403 . 3 1 1 A 34 34 GLU H H 34 8.070 8.625 -0.555 1 1 404 . 3 1 1 A 34 34 GLU HA H 34 4.780 4.704 0.076 1 1 409 . 3 1 1 A 34 34 GLU C C 34 176.000 175.643 0.357 1 1 410 . 3 1 1 A 34 34 GLU CA C 34 55.000 55.636 -0.636 1 1 411 . 3 1 1 A 34 34 GLU CB C 34 31.400 31.203 0.197 1 1 413 . 3 1 1 A 34 34 GLU N N 34 122.300 122.270 0.030 1 1 414 . 3 1 1 A 35 35 ILE H H 35 8.610 8.888 -0.278 1 1 415 . 3 1 1 A 35 35 ILE HA H 35 4.100 4.609 -0.509 1 1 425 . 3 1 1 A 35 35 ILE C C 35 175.600 175.430 0.170 1 1 426 . 3 1 1 A 35 35 ILE CA C 35 61.200 60.915 0.285 1 1 427 . 3 1 1 A 35 35 ILE CB C 35 38.800 37.268 1.532 1 1 431 . 3 1 1 A 35 35 ILE N N 35 125.500 127.172 -1.672 1 1 432 . 3 1 1 A 36 36 ILE H H 36 9.450 8.590 0.860 1 1 433 . 3 1 1 A 36 36 ILE HA H 36 3.990 3.909 0.081 1 1 443 . 3 1 1 A 36 36 ILE C C 36 176.500 176.309 0.191 1 1 444 . 3 1 1 A 36 36 ILE CA C 36 63.100 64.014 -0.914 1 1 445 . 3 1 1 A 36 36 ILE CB C 36 38.800 38.156 0.644 1 1 449 . 3 1 1 A 36 36 ILE N N 36 129.500 129.529 -0.029 1 1 450 . 3 1 1 A 37 37 LYS H H 37 7.630 7.608 0.022 1 1 451 . 3 1 1 A 37 37 LYS HA H 37 4.670 4.736 -0.066 1 1 460 . 3 1 1 A 37 37 LYS C C 37 173.100 173.871 -0.771 1 1 461 . 3 1 1 A 37 37 LYS CA C 37 55.700 55.053 0.647 1 1 462 . 3 1 1 A 37 37 LYS CB C 37 34.700 34.315 0.385 1 1 466 . 3 1 1 A 37 37 LYS N N 37 113.300 114.838 -1.538 1 1 467 . 3 1 1 A 38 38 GLU H H 38 8.800 8.686 0.114 1 1 468 . 3 1 1 A 38 38 GLU HA H 38 5.360 5.350 0.010 1 1 473 . 3 1 1 A 38 38 GLU C C 38 175.300 175.150 0.150 1 1 474 . 3 1 1 A 38 38 GLU CA C 38 55.400 54.824 0.576 1 1 475 . 3 1 1 A 38 38 GLU CB C 38 32.500 32.776 -0.276 1 1 477 . 3 1 1 A 38 38 GLU N N 38 122.000 120.423 1.577 1 1 478 . 3 1 1 A 39 39 VAL H H 39 9.550 9.080 0.470 1 1 479 . 3 1 1 A 39 39 VAL HA H 39 4.360 4.523 -0.163 1 1 487 . 3 1 1 A 39 39 VAL C C 39 174.500 175.597 -1.097 1 1 488 . 3 1 1 A 39 39 VAL CA C 39 61.600 61.095 0.505 1 1 489 . 3 1 1 A 39 39 VAL CB C 39 34.400 34.380 0.020 1 1 492 . 3 1 1 A 39 39 VAL N N 39 126.000 126.034 -0.034 1 1 493 . 3 1 1 A 40 40 ASP H H 40 8.960 9.406 -0.446 1 1 494 . 3 1 1 A 40 40 ASP HA H 40 4.340 4.321 0.019 1 1 497 . 3 1 1 A 40 40 ASP C C 40 175.800 176.250 -0.450 1 1 498 . 3 1 1 A 40 40 ASP CA C 40 55.900 55.664 0.236 1 1 499 . 3 1 1 A 40 40 ASP CB C 40 40.700 39.464 1.236 1 1 500 . 3 1 1 A 40 40 ASP N N 40 125.700 128.857 -3.157 1 1 501 . 3 1 1 A 41 41 GLY H H 41 8.870 8.358 0.512 1 1 502 . 3 1 1 A 41 41 GLY HA2 H 41 3.510 3.746 -0.236 1 1 503 . 3 1 1 A 41 41 GLY HA3 H 41 4.190 3.862 0.328 1 1 504 . 3 1 1 A 41 41 GLY C C 41 173.900 174.103 -0.203 1 1 505 . 3 1 1 A 41 41 GLY CA C 41 45.700 45.441 0.259 1 1 506 . 3 1 1 A 41 41 GLY N N 41 105.500 104.607 0.893 1 1 507 . 3 1 1 A 42 42 TRP H H 42 8.580 8.231 0.349 1 1 508 . 3 1 1 A 42 42 TRP HA H 42 4.700 4.610 0.090 1 1 517 . 3 1 1 A 42 42 TRP C C 42 175.300 175.648 -0.348 1 1 518 . 3 1 1 A 42 42 TRP CA C 42 56.300 57.395 -1.095 1 1 519 . 3 1 1 A 42 42 TRP CB C 42 31.300 30.519 0.781 1 1 525 . 3 1 1 A 42 42 TRP N N 42 122.900 120.964 1.936 1 1 527 . 3 1 1 A 43 43 TYR H H 43 9.400 8.529 0.871 1 1 528 . 3 1 1 A 43 43 TYR HA H 43 5.630 5.215 0.415 1 1 535 . 3 1 1 A 43 43 TYR C C 43 175.800 175.144 0.656 1 1 536 . 3 1 1 A 43 43 TYR CA C 43 55.900 56.775 -0.875 1 1 537 . 3 1 1 A 43 43 TYR CB C 43 40.200 40.358 -0.158 1 1 542 . 3 1 1 A 43 43 TYR N N 43 119.000 121.857 -2.857 1 1 543 . 3 1 1 A 44 44 GLU H H 44 9.110 9.189 -0.079 1 1 544 . 3 1 1 A 44 44 GLU HA H 44 4.040 4.774 -0.734 1 1 549 . 3 1 1 A 44 44 GLU C C 44 175.500 176.222 -0.722 1 1 550 . 3 1 1 A 44 44 GLU CA C 44 55.500 55.621 -0.121 1 1 551 . 3 1 1 A 44 44 GLU CB C 44 31.200 31.201 -0.001 1 1 553 . 3 1 1 A 44 44 GLU N N 44 125.600 124.758 0.842 1 1 554 . 3 1 1 A 45 45 ILE H H 45 9.300 8.626 0.674 1 1 555 . 3 1 1 A 45 45 ILE HA H 45 5.550 5.385 0.165 1 1 565 . 3 1 1 A 45 45 ILE C C 45 173.700 173.508 0.192 1 1 566 . 3 1 1 A 45 45 ILE CA C 45 58.300 58.666 -0.366 1 1 567 . 3 1 1 A 45 45 ILE CB C 45 43.200 42.175 1.025 1 1 571 . 3 1 1 A 45 45 ILE N N 45 122.700 121.271 1.429 1 1 572 . 3 1 1 A 46 46 ARG H H 46 8.730 8.477 0.253 1 1 573 . 3 1 1 A 46 46 ARG HA H 46 5.310 5.392 -0.082 1 1 580 . 3 1 1 A 46 46 ARG C C 46 176.400 174.733 1.667 1 1 581 . 3 1 1 A 46 46 ARG CA C 46 54.400 54.381 0.019 1 1 582 . 3 1 1 A 46 46 ARG CB C 46 33.600 33.207 0.393 1 1 585 . 3 1 1 A 46 46 ARG N N 46 118.900 122.794 -3.894 1 1 586 . 3 1 1 A 47 47 PHE H H 47 9.080 9.424 -0.344 1 1 587 . 3 1 1 A 47 47 PHE HA H 47 4.850 4.849 0.001 1 1 595 . 3 1 1 A 47 47 PHE C C 47 174.500 174.739 -0.239 1 1 596 . 3 1 1 A 47 47 PHE CA C 47 57.300 57.722 -0.422 1 1 597 . 3 1 1 A 47 47 PHE CB C 47 42.500 42.945 -0.445 1 1 603 . 3 1 1 A 47 47 PHE N N 47 126.500 127.268 -0.768 1 1 604 . 3 1 1 A 48 48 ASN H H 48 9.140 8.821 0.319 1 1 605 . 3 1 1 A 48 48 ASN HA H 48 4.080 4.124 -0.044 1 1 610 . 3 1 1 A 48 48 ASN C C 48 175.100 174.780 0.320 1 1 611 . 3 1 1 A 48 48 ASN CA C 48 53.500 53.724 -0.224 1 1 612 . 3 1 1 A 48 48 ASN CB C 48 37.100 37.112 -0.012 1 1 614 . 3 1 1 A 48 48 ASN N N 48 128.500 125.497 3.003 1 1 616 . 3 1 1 A 49 49 GLY H H 49 8.600 8.602 -0.002 1 1 617 . 3 1 1 A 49 49 GLY HA2 H 49 3.510 3.823 -0.313 1 1 618 . 3 1 1 A 49 49 GLY HA3 H 49 4.110 3.831 0.279 1 1 619 . 3 1 1 A 49 49 GLY C C 49 173.600 173.749 -0.149 1 1 620 . 3 1 1 A 49 49 GLY CA C 49 45.600 45.444 0.156 1 1 621 . 3 1 1 A 49 49 GLY N N 49 103.100 103.365 -0.265 1 1 622 . 3 1 1 A 50 50 LYS H H 50 7.850 8.206 -0.356 1 1 623 . 3 1 1 A 50 50 LYS HA H 50 4.620 4.773 -0.153 1 1 632 . 3 1 1 A 50 50 LYS C C 50 174.600 175.351 -0.751 1 1 633 . 3 1 1 A 50 50 LYS CA C 50 54.900 54.301 0.599 1 1 634 . 3 1 1 A 50 50 LYS CB C 50 35.100 34.981 0.119 1 1 638 . 3 1 1 A 50 50 LYS N N 50 121.700 120.337 1.363 1 1 639 . 3 1 1 A 51 51 VAL H H 51 8.120 8.718 -0.598 1 1 640 . 3 1 1 A 51 51 VAL HA H 51 5.100 5.072 0.028 1 1 648 . 3 1 1 A 51 51 VAL C C 51 176.100 175.667 0.433 1 1 649 . 3 1 1 A 51 51 VAL CA C 51 60.700 60.144 0.556 1 1 650 . 3 1 1 A 51 51 VAL CB C 51 33.400 34.472 -1.072 1 1 653 . 3 1 1 A 51 51 VAL N N 51 122.100 122.850 -0.750 1 1 654 . 3 1 1 A 52 52 GLY H H 52 8.430 7.988 0.442 1 1 655 . 3 1 1 A 52 52 GLY HA2 H 52 3.760 4.262 -0.502 1 1 656 . 3 1 1 A 52 52 GLY HA3 H 52 4.230 4.297 -0.067 1 1 657 . 3 1 1 A 52 52 GLY C C 52 170.300 171.316 -1.016 1 1 658 . 3 1 1 A 52 52 GLY CA C 52 45.600 45.932 -0.332 1 1 659 . 3 1 1 A 52 52 GLY N N 52 113.100 112.629 0.471 1 1 660 . 3 1 1 A 53 53 TYR H H 53 9.260 9.334 -0.074 1 1 661 . 3 1 1 A 53 53 TYR HA H 53 5.990 5.793 0.197 1 1 668 . 3 1 1 A 53 53 TYR C C 53 175.700 174.954 0.746 1 1 669 . 3 1 1 A 53 53 TYR CA C 53 56.800 56.807 -0.007 1 1 670 . 3 1 1 A 53 53 TYR CB C 53 42.800 43.446 -0.646 1 1 675 . 3 1 1 A 53 53 TYR N N 53 118.000 119.037 -1.037 1 1 676 . 3 1 1 A 54 54 ALA H H 54 9.210 8.313 0.897 1 1 677 . 3 1 1 A 54 54 ALA HA H 54 5.280 4.998 0.282 1 1 681 . 3 1 1 A 54 54 ALA C C 54 175.800 176.136 -0.336 1 1 682 . 3 1 1 A 54 54 ALA CA C 54 50.900 51.075 -0.175 1 1 683 . 3 1 1 A 54 54 ALA CB C 54 23.800 23.203 0.597 1 1 684 . 3 1 1 A 54 54 ALA N N 54 122.000 122.423 -0.423 1 1 685 . 3 1 1 A 55 55 SER H H 55 8.620 8.431 0.189 1 1 686 . 3 1 1 A 55 55 SER HA H 55 3.270 3.697 -0.427 1 1 689 . 3 1 1 A 55 55 SER C C 55 175.400 175.739 -0.339 1 1 690 . 3 1 1 A 55 55 SER CA C 55 59.100 57.395 1.705 1 1 691 . 3 1 1 A 55 55 SER CB C 55 63.200 64.016 -0.816 1 1 692 . 3 1 1 A 55 55 SER N N 55 117.400 113.267 4.133 1 1 693 . 3 1 1 A 56 56 LYS H H 56 7.630 8.483 -0.853 1 1 694 . 3 1 1 A 56 56 LYS HA H 56 3.750 4.130 -0.380 1 1 703 . 3 1 1 A 56 56 LYS C C 56 177.100 178.116 -1.016 1 1 704 . 3 1 1 A 56 56 LYS CA C 56 58.600 58.659 -0.059 1 1 705 . 3 1 1 A 56 56 LYS CB C 56 32.300 32.071 0.229 1 1 709 . 3 1 1 A 56 56 LYS N N 56 124.500 121.127 3.373 1 1 710 . 3 1 1 A 57 57 SER H H 57 7.670 7.985 -0.315 1 1 711 . 3 1 1 A 57 57 SER HA H 57 3.930 4.102 -0.172 1 1 714 . 3 1 1 A 57 57 SER C C 57 174.100 174.287 -0.187 1 1 715 . 3 1 1 A 57 57 SER CA C 57 60.700 61.084 -0.384 1 1 716 . 3 1 1 A 57 57 SER CB C 57 62.800 62.917 -0.117 1 1 717 . 3 1 1 A 57 57 SER N N 57 112.000 117.334 -5.334 1 1 718 . 3 1 1 A 58 58 TYR H H 58 6.990 7.716 -0.726 1 1 719 . 3 1 1 A 58 58 TYR HA H 58 4.800 4.752 0.048 1 1 726 . 3 1 1 A 58 58 TYR C C 58 173.300 174.662 -1.362 1 1 727 . 3 1 1 A 58 58 TYR CA C 58 57.400 57.346 0.054 1 1 728 . 3 1 1 A 58 58 TYR CB C 58 40.500 39.424 1.076 1 1 733 . 3 1 1 A 58 58 TYR N N 58 116.100 117.024 -0.924 1 1 734 . 3 1 1 A 59 59 ILE H H 59 7.300 7.494 -0.194 1 1 735 . 3 1 1 A 59 59 ILE HA H 59 4.790 4.733 0.057 1 1 745 . 3 1 1 A 59 59 ILE C C 59 174.500 174.265 0.235 1 1 746 . 3 1 1 A 59 59 ILE CA C 59 59.300 60.172 -0.872 1 1 747 . 3 1 1 A 59 59 ILE CB C 59 40.800 39.984 0.816 1 1 751 . 3 1 1 A 59 59 ILE N N 59 119.000 120.645 -1.645 1 1 752 . 3 1 1 A 60 60 THR H H 60 8.980 8.894 0.086 1 1 753 . 3 1 1 A 60 60 THR HA H 60 4.580 4.883 -0.303 1 1 758 . 3 1 1 A 60 60 THR C C 60 173.800 173.601 0.199 1 1 759 . 3 1 1 A 60 60 THR CA C 60 60.800 61.539 -0.739 1 1 760 . 3 1 1 A 60 60 THR CB C 60 71.100 70.876 0.224 1 1 762 . 3 1 1 A 60 60 THR N N 60 123.600 123.808 -0.208 1 1 763 . 3 1 1 A 61 61 ILE H H 61 8.680 8.604 0.076 1 1 764 . 3 1 1 A 61 61 ILE HA H 61 4.180 4.022 0.158 1 1 774 . 3 1 1 A 61 61 ILE C C 61 176.400 176.070 0.330 1 1 775 . 3 1 1 A 61 61 ILE CA C 61 61.800 61.718 0.082 1 1 776 . 3 1 1 A 61 61 ILE CB C 61 37.900 37.708 0.192 1 1 780 . 3 1 1 A 61 61 ILE N N 61 127.200 127.877 -0.677 1 1 781 . 3 1 1 A 62 62 VAL H H 62 8.370 8.566 -0.196 1 1 782 . 3 1 1 A 62 62 VAL HA H 62 4.140 3.736 0.404 1 1 790 . 3 1 1 A 62 62 VAL C C 62 175.200 176.394 -1.194 1 1 791 . 3 1 1 A 62 62 VAL CA C 62 61.800 63.505 -1.705 1 1 792 . 3 1 1 A 62 62 VAL CB C 62 33.200 31.762 1.438 1 1 795 . 3 1 1 A 62 62 VAL N N 62 126.600 127.743 -1.143 1 1 796 . 3 1 1 A 63 63 ASN H H 63 8.590 9.218 -0.628 1 1 797 . 3 1 1 A 63 63 ASN HA H 63 4.730 4.411 0.319 1 1 802 . 3 1 1 A 63 63 ASN C C 63 175.200 175.356 -0.156 1 1 803 . 3 1 1 A 63 63 ASN CA C 63 53.200 54.213 -1.013 1 1 804 . 3 1 1 A 63 63 ASN CB C 63 39.100 36.723 2.377 1 1 806 . 3 1 1 A 63 63 ASN N N 63 123.500 123.028 0.472 1 1 808 . 3 1 1 A 64 64 GLU H H 64 8.620 8.032 0.588 1 1 809 . 3 1 1 A 64 64 GLU HA H 64 4.250 3.942 0.308 1 1 814 . 3 1 1 A 64 64 GLU C C 64 177.000 179.468 -2.468 1 1 815 . 3 1 1 A 64 64 GLU CA C 64 57.100 59.376 -2.276 1 1 816 . 3 1 1 A 64 64 GLU CB C 64 30.400 29.236 1.164 1 1 818 . 3 1 1 A 64 64 GLU N N 64 122.700 118.538 4.162 1 1 819 . 3 1 1 A 65 65 GLY H H 65 8.490 8.102 0.388 1 1 820 . 3 1 1 A 65 65 GLY HA2 H 65 3.980 4.057 -0.077 1 1 821 . 3 1 1 A 65 65 GLY HA3 H 65 3.980 4.059 -0.079 1 1 822 . 3 1 1 A 65 65 GLY C C 65 174.300 174.259 0.041 1 1 823 . 3 1 1 A 65 65 GLY CA C 65 45.500 44.435 1.065 1 1 824 . 3 1 1 A 65 65 GLY N N 65 109.600 108.148 1.452 1 1 825 . 3 1 1 A 66 66 SER H H 66 8.180 8.542 -0.362 1 1 826 . 3 1 1 A 66 66 SER HA H 66 4.450 4.182 0.268 1 1 829 . 3 1 1 A 66 66 SER C C 66 174.900 174.489 0.411 1 1 830 . 3 1 1 A 66 66 SER CA C 66 58.300 58.735 -0.435 1 1 831 . 3 1 1 A 66 66 SER CB C 66 63.700 61.823 1.877 1 1 832 . 3 1 1 A 66 66 SER N N 66 115.500 114.360 1.140 1 1 833 . 3 1 1 A 67 67 LEU H H 67 8.300 8.094 0.206 1 1 834 . 3 1 1 A 67 67 LEU HA H 67 4.300 4.012 0.288 1 1 844 . 3 1 1 A 67 67 LEU C C 67 177.500 176.791 0.709 1 1 845 . 3 1 1 A 67 67 LEU CA C 67 55.400 57.295 -1.895 1 1 846 . 3 1 1 A 67 67 LEU CB C 67 42.200 42.147 0.053 1 1 850 . 3 1 1 A 67 67 LEU N N 67 123.800 128.083 -4.283 1 1 851 . 3 1 1 A 68 68 GLU H H 68 8.270 7.931 0.339 1 1 852 . 3 1 1 A 68 68 GLU HA H 68 4.160 4.434 -0.274 1 1 857 . 3 1 1 A 68 68 GLU CA C 68 56.900 57.019 -0.119 1 1 858 . 3 1 1 A 68 68 GLU CB C 68 30.100 30.275 -0.175 1 1 860 . 3 1 1 A 68 68 GLU N N 68 120.700 114.260 6.440 1 1 861 . 3 1 1 A 69 69 HIS C C 69 173.900 175.220 -1.320 1 1 862 . 3 1 1 A 70 70 HIS H H 70 8.140 8.240 -0.100 1 1 863 . 3 1 1 A 70 70 HIS CA C 70 57.200 59.426 -2.226 1 1 864 . 3 1 1 A 70 70 HIS CB C 70 30.200 29.947 0.253 1 1 14 . 4 1 1 A 2 2 GLN H H 2 9.330 8.433 0.897 1 1 15 . 4 1 1 A 2 2 GLN HA H 2 5.000 5.159 -0.159 1 1 22 . 4 1 1 A 2 2 GLN C C 2 174.500 175.417 -0.917 1 1 23 . 4 1 1 A 2 2 GLN CA C 2 55.500 54.432 1.068 1 1 24 . 4 1 1 A 2 2 GLN CB C 2 31.700 30.561 1.139 1 1 26 . 4 1 1 A 2 2 GLN N N 2 125.400 118.181 7.219 1 1 28 . 4 1 1 A 3 3 GLY H H 3 8.860 8.797 0.063 1 1 29 . 4 1 1 A 3 3 GLY HA2 H 3 3.070 4.122 -1.052 1 1 30 . 4 1 1 A 3 3 GLY HA3 H 3 5.250 4.133 1.117 1 1 31 . 4 1 1 A 3 3 GLY C C 3 171.800 172.169 -0.369 1 1 32 . 4 1 1 A 3 3 GLY CA C 3 44.300 44.020 0.280 1 1 33 . 4 1 1 A 3 3 GLY N N 3 108.200 112.779 -4.579 1 1 34 . 4 1 1 A 4 4 VAL H H 4 9.060 8.664 0.396 1 1 35 . 4 1 1 A 4 4 VAL HA H 4 5.080 4.931 0.149 1 1 43 . 4 1 1 A 4 4 VAL C C 4 174.500 174.711 -0.211 1 1 44 . 4 1 1 A 4 4 VAL CA C 4 59.800 60.485 -0.685 1 1 45 . 4 1 1 A 4 4 VAL CB C 4 35.300 34.786 0.514 1 1 48 . 4 1 1 A 4 4 VAL N N 4 120.200 121.976 -1.776 1 1 49 . 4 1 1 A 5 5 VAL H H 5 8.750 8.682 0.068 1 1 50 . 4 1 1 A 5 5 VAL HA H 5 4.190 4.516 -0.326 1 1 58 . 4 1 1 A 5 5 VAL C C 5 175.800 175.279 0.521 1 1 59 . 4 1 1 A 5 5 VAL CA C 5 62.800 61.907 0.893 1 1 60 . 4 1 1 A 5 5 VAL CB C 5 31.900 32.067 -0.167 1 1 63 . 4 1 1 A 5 5 VAL N N 5 128.600 128.139 0.461 1 1 64 . 4 1 1 A 6 6 LYS H H 6 8.830 8.638 0.192 1 1 65 . 4 1 1 A 6 6 LYS HA H 6 5.250 4.972 0.278 1 1 74 . 4 1 1 A 6 6 LYS C C 6 174.800 175.286 -0.486 1 1 75 . 4 1 1 A 6 6 LYS CA C 6 54.300 55.206 -0.906 1 1 76 . 4 1 1 A 6 6 LYS CB C 6 33.200 34.103 -0.903 1 1 80 . 4 1 1 A 6 6 LYS N N 6 131.400 127.311 4.089 1 1 81 . 4 1 1 A 7 7 VAL H H 7 8.270 8.817 -0.547 1 1 82 . 4 1 1 A 7 7 VAL HA H 7 4.640 4.811 -0.171 1 1 90 . 4 1 1 A 7 7 VAL C C 7 173.400 175.202 -1.802 1 1 91 . 4 1 1 A 7 7 VAL CA C 7 59.700 58.956 0.744 1 1 92 . 4 1 1 A 7 7 VAL CB C 7 35.400 35.523 -0.123 1 1 95 . 4 1 1 A 7 7 VAL N N 7 119.000 119.110 -0.110 1 1 96 . 4 1 1 A 8 8 ASN H H 8 8.560 8.900 -0.340 1 1 97 . 4 1 1 A 8 8 ASN HA H 8 4.690 4.856 -0.166 1 1 102 . 4 1 1 A 8 8 ASN C C 8 175.600 175.042 0.558 1 1 103 . 4 1 1 A 8 8 ASN CA C 8 54.500 54.024 0.476 1 1 104 . 4 1 1 A 8 8 ASN CB C 8 38.700 39.460 -0.760 1 1 106 . 4 1 1 A 8 8 ASN N N 8 120.700 120.069 0.631 1 1 108 . 4 1 1 A 9 9 SER H H 9 7.630 7.616 0.014 1 1 109 . 4 1 1 A 9 9 SER HA H 9 4.450 4.748 -0.298 1 1 112 . 4 1 1 A 9 9 SER C C 9 172.800 172.889 -0.089 1 1 113 . 4 1 1 A 9 9 SER CA C 9 58.100 57.261 0.839 1 1 114 . 4 1 1 A 9 9 SER CB C 9 63.500 66.737 -3.237 1 1 115 . 4 1 1 A 9 9 SER N N 9 112.800 113.289 -0.489 1 1 116 . 4 1 1 A 10 10 ALA H H 10 8.330 8.316 0.014 1 1 117 . 4 1 1 A 10 10 ALA HA H 10 4.530 4.379 0.151 1 1 121 . 4 1 1 A 10 10 ALA C C 10 175.300 176.737 -1.437 1 1 122 . 4 1 1 A 10 10 ALA CA C 10 52.400 52.298 0.102 1 1 123 . 4 1 1 A 10 10 ALA CB C 10 20.900 19.297 1.603 1 1 124 . 4 1 1 A 10 10 ALA N N 10 123.900 124.729 -0.829 1 1 125 . 4 1 1 A 11 11 LEU H H 11 8.930 8.647 0.283 1 1 126 . 4 1 1 A 11 11 LEU HA H 11 4.530 5.002 -0.472 1 1 136 . 4 1 1 A 11 11 LEU C C 11 175.300 174.839 0.461 1 1 137 . 4 1 1 A 11 11 LEU CA C 11 52.600 53.184 -0.584 1 1 138 . 4 1 1 A 11 11 LEU CB C 11 45.900 45.372 0.528 1 1 142 . 4 1 1 A 11 11 LEU N N 11 123.600 123.602 -0.002 1 1 143 . 4 1 1 A 12 12 ASN H H 12 8.800 8.596 0.204 1 1 144 . 4 1 1 A 12 12 ASN HA H 12 5.030 5.158 -0.128 1 1 149 . 4 1 1 A 12 12 ASN C C 12 174.000 174.395 -0.395 1 1 150 . 4 1 1 A 12 12 ASN CA C 12 53.800 52.678 1.122 1 1 151 . 4 1 1 A 12 12 ASN CB C 12 39.500 40.045 -0.545 1 1 153 . 4 1 1 A 12 12 ASN N N 12 123.600 124.533 -0.933 1 1 155 . 4 1 1 A 13 13 MET H H 13 8.630 8.976 -0.346 1 1 156 . 4 1 1 A 13 13 MET HA H 13 4.970 5.264 -0.294 1 1 164 . 4 1 1 A 13 13 MET C C 13 176.000 175.339 0.661 1 1 165 . 4 1 1 A 13 13 MET CA C 13 54.900 54.148 0.752 1 1 166 . 4 1 1 A 13 13 MET CB C 13 35.200 35.650 -0.450 1 1 169 . 4 1 1 A 13 13 MET N N 13 122.600 124.925 -2.325 1 1 170 . 4 1 1 A 14 14 ARG H H 14 9.730 8.692 1.038 1 1 171 . 4 1 1 A 14 14 ARG HA H 14 5.760 4.876 0.884 1 1 178 . 4 1 1 A 14 14 ARG C C 14 177.700 177.131 0.569 1 1 179 . 4 1 1 A 14 14 ARG CA C 14 54.900 54.548 0.352 1 1 180 . 4 1 1 A 14 14 ARG CB C 14 34.600 33.195 1.405 1 1 183 . 4 1 1 A 14 14 ARG N N 14 125.200 125.531 -0.331 1 1 184 . 4 1 1 A 15 15 SER H H 15 9.010 8.908 0.102 1 1 185 . 4 1 1 A 15 15 SER HA H 15 4.580 4.475 0.105 1 1 188 . 4 1 1 A 15 15 SER C C 15 173.100 174.270 -1.170 1 1 189 . 4 1 1 A 15 15 SER CA C 15 59.100 59.530 -0.430 1 1 190 . 4 1 1 A 15 15 SER CB C 15 63.600 63.684 -0.084 1 1 191 . 4 1 1 A 15 15 SER N N 15 113.600 115.136 -1.536 1 1 192 . 4 1 1 A 16 16 GLY H H 16 6.940 7.559 -0.619 1 1 193 . 4 1 1 A 16 16 GLY HA2 H 16 1.050 3.300 -2.250 1 1 194 . 4 1 1 A 16 16 GLY HA3 H 16 3.010 3.428 -0.418 1 1 195 . 4 1 1 A 16 16 GLY CA C 16 43.700 44.568 -0.868 1 1 196 . 4 1 1 A 16 16 GLY N N 16 109.500 108.448 1.052 1 1 197 . 4 1 1 A 17 17 PRO HA H 17 3.070 2.912 0.158 1 1 204 . 4 1 1 A 17 17 PRO C C 17 172.400 175.425 -3.025 1 1 205 . 4 1 1 A 17 17 PRO CA C 17 60.200 62.727 -2.527 1 1 206 . 4 1 1 A 17 17 PRO CB C 17 28.300 30.770 -2.470 1 1 209 . 4 1 1 A 18 18 GLY H H 18 6.650 8.259 -1.609 1 1 210 . 4 1 1 A 18 18 GLY HA2 H 18 3.630 3.854 -0.224 1 1 211 . 4 1 1 A 18 18 GLY HA3 H 18 4.010 3.975 0.035 1 1 212 . 4 1 1 A 18 18 GLY C C 18 173.200 174.818 -1.618 1 1 213 . 4 1 1 A 18 18 GLY CA C 18 46.200 44.659 1.541 1 1 214 . 4 1 1 A 18 18 GLY N N 18 110.400 110.107 0.293 1 1 215 . 4 1 1 A 19 19 SER H H 19 8.960 9.074 -0.114 1 1 216 . 4 1 1 A 19 19 SER HA H 19 4.200 4.419 -0.219 1 1 219 . 4 1 1 A 19 19 SER C C 19 173.600 174.595 -0.995 1 1 220 . 4 1 1 A 19 19 SER CA C 19 60.600 60.967 -0.367 1 1 221 . 4 1 1 A 19 19 SER CB C 19 63.200 63.107 0.093 1 1 222 . 4 1 1 A 19 19 SER N N 19 115.800 119.831 -4.031 1 1 223 . 4 1 1 A 20 20 ASN H H 20 8.720 8.267 0.453 1 1 224 . 4 1 1 A 20 20 ASN HA H 20 4.560 4.590 -0.030 1 1 229 . 4 1 1 A 20 20 ASN C C 20 175.300 175.166 0.134 1 1 230 . 4 1 1 A 20 20 ASN CA C 20 53.300 53.072 0.228 1 1 231 . 4 1 1 A 20 20 ASN CB C 20 37.300 37.485 -0.185 1 1 233 . 4 1 1 A 20 20 ASN N N 20 115.000 118.608 -3.608 1 1 235 . 4 1 1 A 21 21 TYR H H 21 7.040 7.627 -0.587 1 1 236 . 4 1 1 A 21 21 TYR HA H 21 4.290 4.629 -0.339 1 1 243 . 4 1 1 A 21 21 TYR C C 21 175.700 176.215 -0.515 1 1 244 . 4 1 1 A 21 21 TYR CA C 21 58.800 58.059 0.741 1 1 245 . 4 1 1 A 21 21 TYR CB C 21 39.400 38.923 0.477 1 1 250 . 4 1 1 A 21 21 TYR N N 21 119.200 118.024 1.176 1 1 251 . 4 1 1 A 22 22 GLY H H 22 8.450 7.980 0.470 1 1 252 . 4 1 1 A 22 22 GLY HA2 H 22 3.820 4.119 -0.299 1 1 253 . 4 1 1 A 22 22 GLY HA3 H 22 4.090 4.124 -0.034 1 1 254 . 4 1 1 A 22 22 GLY C C 22 172.700 173.180 -0.480 1 1 255 . 4 1 1 A 22 22 GLY CA C 22 45.300 44.892 0.408 1 1 256 . 4 1 1 A 22 22 GLY N N 22 107.800 108.210 -0.410 1 1 257 . 4 1 1 A 23 23 VAL H H 23 8.470 8.338 0.132 1 1 258 . 4 1 1 A 23 23 VAL HA H 23 4.320 4.755 -0.435 1 1 266 . 4 1 1 A 23 23 VAL C C 23 178.000 176.460 1.540 1 1 267 . 4 1 1 A 23 23 VAL CA C 23 63.700 61.234 2.466 1 1 268 . 4 1 1 A 23 23 VAL CB C 23 32.700 32.733 -0.033 1 1 271 . 4 1 1 A 23 23 VAL N N 23 120.200 119.540 0.660 1 1 272 . 4 1 1 A 24 24 ILE H H 24 9.120 9.076 0.044 1 1 273 . 4 1 1 A 24 24 ILE HA H 24 4.740 4.642 0.098 1 1 283 . 4 1 1 A 24 24 ILE C C 24 175.300 175.698 -0.398 1 1 284 . 4 1 1 A 24 24 ILE CA C 24 60.500 60.840 -0.340 1 1 285 . 4 1 1 A 24 24 ILE CB C 24 39.900 38.906 0.994 1 1 289 . 4 1 1 A 24 24 ILE N N 24 120.900 124.600 -3.700 1 1 290 . 4 1 1 A 25 25 GLY H H 25 7.770 7.530 0.240 1 1 291 . 4 1 1 A 25 25 GLY HA2 H 25 4.130 4.138 -0.008 1 1 292 . 4 1 1 A 25 25 GLY HA3 H 25 4.310 4.144 0.166 1 1 293 . 4 1 1 A 25 25 GLY C C 25 171.100 171.329 -0.229 1 1 294 . 4 1 1 A 25 25 GLY CA C 25 45.500 45.621 -0.121 1 1 295 . 4 1 1 A 25 25 GLY N N 25 109.200 109.206 -0.006 1 1 296 . 4 1 1 A 26 26 THR H H 26 8.440 8.517 -0.077 1 1 297 . 4 1 1 A 26 26 THR HA H 26 5.080 5.284 -0.204 1 1 302 . 4 1 1 A 26 26 THR C C 26 173.000 173.403 -0.403 1 1 303 . 4 1 1 A 26 26 THR CA C 26 61.400 61.269 0.131 1 1 304 . 4 1 1 A 26 26 THR CB C 26 72.200 71.069 1.131 1 1 306 . 4 1 1 A 26 26 THR N N 26 113.900 115.377 -1.477 1 1 307 . 4 1 1 A 27 27 LEU H H 27 9.180 9.608 -0.428 1 1 308 . 4 1 1 A 27 27 LEU HA H 27 4.480 5.058 -0.578 1 1 318 . 4 1 1 A 27 27 LEU C C 27 174.900 175.513 -0.613 1 1 319 . 4 1 1 A 27 27 LEU CA C 27 53.400 53.043 0.357 1 1 320 . 4 1 1 A 27 27 LEU CB C 27 45.000 44.713 0.287 1 1 324 . 4 1 1 A 27 27 LEU N N 27 125.600 126.476 -0.876 1 1 325 . 4 1 1 A 28 28 ARG H H 28 9.280 9.368 -0.088 1 1 326 . 4 1 1 A 28 28 ARG HA H 28 4.510 4.690 -0.180 1 1 333 . 4 1 1 A 28 28 ARG C C 28 175.300 175.851 -0.551 1 1 334 . 4 1 1 A 28 28 ARG CA C 28 53.300 53.945 -0.645 1 1 335 . 4 1 1 A 28 28 ARG CB C 28 33.100 32.687 0.413 1 1 338 . 4 1 1 A 28 28 ARG N N 28 120.600 121.995 -1.395 1 1 339 . 4 1 1 A 29 29 ASN H H 29 8.360 8.628 -0.268 1 1 340 . 4 1 1 A 29 29 ASN HA H 29 4.070 4.978 -0.908 1 1 345 . 4 1 1 A 29 29 ASN C C 29 176.500 175.017 1.483 1 1 346 . 4 1 1 A 29 29 ASN CA C 29 56.100 52.665 3.435 1 1 347 . 4 1 1 A 29 29 ASN CB C 29 39.300 39.121 0.179 1 1 349 . 4 1 1 A 29 29 ASN N N 29 117.200 119.189 -1.989 1 1 351 . 4 1 1 A 30 30 ASN H H 30 9.290 8.960 0.330 1 1 352 . 4 1 1 A 30 30 ASN HA H 30 4.300 4.284 0.016 1 1 357 . 4 1 1 A 30 30 ASN C C 30 175.100 174.285 0.815 1 1 358 . 4 1 1 A 30 30 ASN CA C 30 55.500 54.654 0.846 1 1 359 . 4 1 1 A 30 30 ASN CB C 30 37.300 37.324 -0.024 1 1 361 . 4 1 1 A 30 30 ASN N N 30 118.900 114.603 4.297 1 1 363 . 4 1 1 A 31 31 ASP H H 31 8.210 7.577 0.633 1 1 364 . 4 1 1 A 31 31 ASP HA H 31 4.700 4.620 0.080 1 1 367 . 4 1 1 A 31 31 ASP C C 31 175.300 175.577 -0.277 1 1 368 . 4 1 1 A 31 31 ASP CA C 31 56.500 54.833 1.667 1 1 369 . 4 1 1 A 31 31 ASP CB C 31 41.200 41.268 -0.068 1 1 370 . 4 1 1 A 31 31 ASP N N 31 122.300 119.484 2.816 1 1 371 . 4 1 1 A 32 32 LYS H H 32 8.510 8.581 -0.071 1 1 372 . 4 1 1 A 32 32 LYS HA H 32 5.140 5.037 0.103 1 1 381 . 4 1 1 A 32 32 LYS C C 32 176.600 175.938 0.662 1 1 382 . 4 1 1 A 32 32 LYS CA C 32 55.400 55.195 0.205 1 1 383 . 4 1 1 A 32 32 LYS CB C 32 33.500 34.131 -0.631 1 1 387 . 4 1 1 A 32 32 LYS N N 32 121.500 123.005 -1.505 1 1 388 . 4 1 1 A 33 33 VAL H H 33 8.650 8.677 -0.027 1 1 389 . 4 1 1 A 33 33 VAL HA H 33 5.020 4.986 0.034 1 1 397 . 4 1 1 A 33 33 VAL C C 33 174.200 173.662 0.538 1 1 398 . 4 1 1 A 33 33 VAL CA C 33 58.200 58.736 -0.536 1 1 399 . 4 1 1 A 33 33 VAL CB C 33 34.900 35.836 -0.936 1 1 402 . 4 1 1 A 33 33 VAL N N 33 113.500 117.564 -4.064 1 1 403 . 4 1 1 A 34 34 GLU H H 34 8.070 8.854 -0.784 1 1 404 . 4 1 1 A 34 34 GLU HA H 34 4.780 4.991 -0.211 1 1 409 . 4 1 1 A 34 34 GLU C C 34 176.000 175.441 0.559 1 1 410 . 4 1 1 A 34 34 GLU CA C 34 55.000 55.001 -0.001 1 1 411 . 4 1 1 A 34 34 GLU CB C 34 31.400 31.910 -0.510 1 1 413 . 4 1 1 A 34 34 GLU N N 34 122.300 122.121 0.179 1 1 414 . 4 1 1 A 35 35 ILE H H 35 8.610 9.030 -0.420 1 1 415 . 4 1 1 A 35 35 ILE HA H 35 4.100 4.405 -0.305 1 1 425 . 4 1 1 A 35 35 ILE C C 35 175.600 175.498 0.102 1 1 426 . 4 1 1 A 35 35 ILE CA C 35 61.200 61.804 -0.604 1 1 427 . 4 1 1 A 35 35 ILE CB C 35 38.800 37.788 1.012 1 1 431 . 4 1 1 A 35 35 ILE N N 35 125.500 127.607 -2.107 1 1 432 . 4 1 1 A 36 36 ILE H H 36 9.450 9.682 -0.232 1 1 433 . 4 1 1 A 36 36 ILE HA H 36 3.990 4.159 -0.169 1 1 443 . 4 1 1 A 36 36 ILE C C 36 176.500 176.211 0.289 1 1 444 . 4 1 1 A 36 36 ILE CA C 36 63.100 62.898 0.202 1 1 445 . 4 1 1 A 36 36 ILE CB C 36 38.800 38.428 0.372 1 1 449 . 4 1 1 A 36 36 ILE N N 36 129.500 128.655 0.845 1 1 450 . 4 1 1 A 37 37 LYS H H 37 7.630 7.686 -0.056 1 1 451 . 4 1 1 A 37 37 LYS HA H 37 4.670 4.842 -0.172 1 1 460 . 4 1 1 A 37 37 LYS C C 37 173.100 173.608 -0.508 1 1 461 . 4 1 1 A 37 37 LYS CA C 37 55.700 55.579 0.121 1 1 462 . 4 1 1 A 37 37 LYS CB C 37 34.700 36.352 -1.652 1 1 466 . 4 1 1 A 37 37 LYS N N 37 113.300 118.193 -4.893 1 1 467 . 4 1 1 A 38 38 GLU H H 38 8.800 9.223 -0.423 1 1 468 . 4 1 1 A 38 38 GLU HA H 38 5.360 5.307 0.053 1 1 473 . 4 1 1 A 38 38 GLU C C 38 175.300 175.222 0.078 1 1 474 . 4 1 1 A 38 38 GLU CA C 38 55.400 54.861 0.539 1 1 475 . 4 1 1 A 38 38 GLU CB C 38 32.500 32.548 -0.048 1 1 477 . 4 1 1 A 38 38 GLU N N 38 122.000 126.051 -4.051 1 1 478 . 4 1 1 A 39 39 VAL H H 39 9.550 9.058 0.492 1 1 479 . 4 1 1 A 39 39 VAL HA H 39 4.360 4.550 -0.190 1 1 487 . 4 1 1 A 39 39 VAL C C 39 174.500 175.578 -1.078 1 1 488 . 4 1 1 A 39 39 VAL CA C 39 61.600 61.100 0.500 1 1 489 . 4 1 1 A 39 39 VAL CB C 39 34.400 34.422 -0.022 1 1 492 . 4 1 1 A 39 39 VAL N N 39 126.000 126.386 -0.386 1 1 493 . 4 1 1 A 40 40 ASP H H 40 8.960 9.415 -0.455 1 1 494 . 4 1 1 A 40 40 ASP HA H 40 4.340 4.375 -0.035 1 1 497 . 4 1 1 A 40 40 ASP C C 40 175.800 176.257 -0.457 1 1 498 . 4 1 1 A 40 40 ASP CA C 40 55.900 55.549 0.351 1 1 499 . 4 1 1 A 40 40 ASP CB C 40 40.700 39.465 1.235 1 1 500 . 4 1 1 A 40 40 ASP N N 40 125.700 128.745 -3.045 1 1 501 . 4 1 1 A 41 41 GLY H H 41 8.870 8.253 0.617 1 1 502 . 4 1 1 A 41 41 GLY HA2 H 41 3.510 3.747 -0.237 1 1 503 . 4 1 1 A 41 41 GLY HA3 H 41 4.190 3.842 0.348 1 1 504 . 4 1 1 A 41 41 GLY C C 41 173.900 174.349 -0.449 1 1 505 . 4 1 1 A 41 41 GLY CA C 41 45.700 45.266 0.434 1 1 506 . 4 1 1 A 41 41 GLY N N 41 105.500 104.816 0.684 1 1 507 . 4 1 1 A 42 42 TRP H H 42 8.580 8.096 0.484 1 1 508 . 4 1 1 A 42 42 TRP HA H 42 4.700 4.691 0.009 1 1 517 . 4 1 1 A 42 42 TRP C C 42 175.300 175.687 -0.387 1 1 518 . 4 1 1 A 42 42 TRP CA C 42 56.300 57.658 -1.358 1 1 519 . 4 1 1 A 42 42 TRP CB C 42 31.300 30.373 0.927 1 1 525 . 4 1 1 A 42 42 TRP N N 42 122.900 120.542 2.358 1 1 527 . 4 1 1 A 43 43 TYR H H 43 9.400 9.047 0.353 1 1 528 . 4 1 1 A 43 43 TYR HA H 43 5.630 5.115 0.515 1 1 535 . 4 1 1 A 43 43 TYR C C 43 175.800 175.108 0.692 1 1 536 . 4 1 1 A 43 43 TYR CA C 43 55.900 56.952 -1.052 1 1 537 . 4 1 1 A 43 43 TYR CB C 43 40.200 41.228 -1.028 1 1 542 . 4 1 1 A 43 43 TYR N N 43 119.000 121.865 -2.865 1 1 543 . 4 1 1 A 44 44 GLU H H 44 9.110 9.566 -0.456 1 1 544 . 4 1 1 A 44 44 GLU HA H 44 4.040 4.567 -0.527 1 1 549 . 4 1 1 A 44 44 GLU C C 44 175.500 176.523 -1.023 1 1 550 . 4 1 1 A 44 44 GLU CA C 44 55.500 56.056 -0.556 1 1 551 . 4 1 1 A 44 44 GLU CB C 44 31.200 30.907 0.293 1 1 553 . 4 1 1 A 44 44 GLU N N 44 125.600 124.568 1.032 1 1 554 . 4 1 1 A 45 45 ILE H H 45 9.300 8.623 0.677 1 1 555 . 4 1 1 A 45 45 ILE HA H 45 5.550 5.449 0.101 1 1 565 . 4 1 1 A 45 45 ILE C C 45 173.700 173.475 0.225 1 1 566 . 4 1 1 A 45 45 ILE CA C 45 58.300 58.585 -0.285 1 1 567 . 4 1 1 A 45 45 ILE CB C 45 43.200 42.095 1.105 1 1 571 . 4 1 1 A 45 45 ILE N N 45 122.700 121.104 1.596 1 1 572 . 4 1 1 A 46 46 ARG H H 46 8.730 8.392 0.338 1 1 573 . 4 1 1 A 46 46 ARG HA H 46 5.310 5.594 -0.284 1 1 580 . 4 1 1 A 46 46 ARG C C 46 176.400 174.675 1.725 1 1 581 . 4 1 1 A 46 46 ARG CA C 46 54.400 54.376 0.024 1 1 582 . 4 1 1 A 46 46 ARG CB C 46 33.600 33.507 0.093 1 1 585 . 4 1 1 A 46 46 ARG N N 46 118.900 122.461 -3.561 1 1 586 . 4 1 1 A 47 47 PHE H H 47 9.080 9.754 -0.674 1 1 587 . 4 1 1 A 47 47 PHE HA H 47 4.850 4.850 0.000 1 1 595 . 4 1 1 A 47 47 PHE C C 47 174.500 174.673 -0.173 1 1 596 . 4 1 1 A 47 47 PHE CA C 47 57.300 57.755 -0.455 1 1 597 . 4 1 1 A 47 47 PHE CB C 47 42.500 42.938 -0.438 1 1 603 . 4 1 1 A 47 47 PHE N N 47 126.500 126.929 -0.429 1 1 604 . 4 1 1 A 48 48 ASN H H 48 9.140 8.804 0.336 1 1 605 . 4 1 1 A 48 48 ASN HA H 48 4.080 4.122 -0.042 1 1 610 . 4 1 1 A 48 48 ASN C C 48 175.100 174.667 0.433 1 1 611 . 4 1 1 A 48 48 ASN CA C 48 53.500 53.761 -0.261 1 1 612 . 4 1 1 A 48 48 ASN CB C 48 37.100 37.222 -0.122 1 1 614 . 4 1 1 A 48 48 ASN N N 48 128.500 125.449 3.051 1 1 616 . 4 1 1 A 49 49 GLY H H 49 8.600 8.556 0.044 1 1 617 . 4 1 1 A 49 49 GLY HA2 H 49 3.510 3.807 -0.297 1 1 618 . 4 1 1 A 49 49 GLY HA3 H 49 4.110 3.809 0.301 1 1 619 . 4 1 1 A 49 49 GLY C C 49 173.600 173.769 -0.169 1 1 620 . 4 1 1 A 49 49 GLY CA C 49 45.600 45.584 0.016 1 1 621 . 4 1 1 A 49 49 GLY N N 49 103.100 103.807 -0.707 1 1 622 . 4 1 1 A 50 50 LYS H H 50 7.850 7.841 0.009 1 1 623 . 4 1 1 A 50 50 LYS HA H 50 4.620 4.705 -0.085 1 1 632 . 4 1 1 A 50 50 LYS C C 50 174.600 174.872 -0.272 1 1 633 . 4 1 1 A 50 50 LYS CA C 50 54.900 54.907 -0.007 1 1 634 . 4 1 1 A 50 50 LYS CB C 50 35.100 35.025 0.075 1 1 638 . 4 1 1 A 50 50 LYS N N 50 121.700 120.999 0.701 1 1 639 . 4 1 1 A 51 51 VAL H H 51 8.120 8.765 -0.645 1 1 640 . 4 1 1 A 51 51 VAL HA H 51 5.100 5.128 -0.028 1 1 648 . 4 1 1 A 51 51 VAL C C 51 176.100 175.562 0.538 1 1 649 . 4 1 1 A 51 51 VAL CA C 51 60.700 60.171 0.529 1 1 650 . 4 1 1 A 51 51 VAL CB C 51 33.400 33.958 -0.558 1 1 653 . 4 1 1 A 51 51 VAL N N 51 122.100 126.230 -4.130 1 1 654 . 4 1 1 A 52 52 GLY H H 52 8.430 8.328 0.102 1 1 655 . 4 1 1 A 52 52 GLY HA2 H 52 3.760 4.294 -0.534 1 1 656 . 4 1 1 A 52 52 GLY HA3 H 52 4.230 4.295 -0.065 1 1 657 . 4 1 1 A 52 52 GLY C C 52 170.300 171.725 -1.425 1 1 658 . 4 1 1 A 52 52 GLY CA C 52 45.600 45.555 0.045 1 1 659 . 4 1 1 A 52 52 GLY N N 52 113.100 112.774 0.326 1 1 660 . 4 1 1 A 53 53 TYR H H 53 9.260 8.903 0.357 1 1 661 . 4 1 1 A 53 53 TYR HA H 53 5.990 5.858 0.132 1 1 668 . 4 1 1 A 53 53 TYR C C 53 175.700 175.140 0.560 1 1 669 . 4 1 1 A 53 53 TYR CA C 53 56.800 56.819 -0.019 1 1 670 . 4 1 1 A 53 53 TYR CB C 53 42.800 43.384 -0.584 1 1 675 . 4 1 1 A 53 53 TYR N N 53 118.000 119.139 -1.139 1 1 676 . 4 1 1 A 54 54 ALA H H 54 9.210 8.606 0.604 1 1 677 . 4 1 1 A 54 54 ALA HA H 54 5.280 5.207 0.073 1 1 681 . 4 1 1 A 54 54 ALA C C 54 175.800 176.247 -0.447 1 1 682 . 4 1 1 A 54 54 ALA CA C 54 50.900 51.217 -0.317 1 1 683 . 4 1 1 A 54 54 ALA CB C 54 23.800 23.408 0.392 1 1 684 . 4 1 1 A 54 54 ALA N N 54 122.000 122.631 -0.631 1 1 685 . 4 1 1 A 55 55 SER H H 55 8.620 8.672 -0.052 1 1 686 . 4 1 1 A 55 55 SER HA H 55 3.270 3.941 -0.671 1 1 689 . 4 1 1 A 55 55 SER C C 55 175.400 175.199 0.201 1 1 690 . 4 1 1 A 55 55 SER CA C 55 59.100 56.862 2.238 1 1 691 . 4 1 1 A 55 55 SER CB C 55 63.200 64.264 -1.064 1 1 692 . 4 1 1 A 55 55 SER N N 55 117.400 113.345 4.055 1 1 693 . 4 1 1 A 56 56 LYS H H 56 7.630 8.581 -0.951 1 1 694 . 4 1 1 A 56 56 LYS HA H 56 3.750 4.037 -0.287 1 1 703 . 4 1 1 A 56 56 LYS C C 56 177.100 178.267 -1.167 1 1 704 . 4 1 1 A 56 56 LYS CA C 56 58.600 59.291 -0.691 1 1 705 . 4 1 1 A 56 56 LYS CB C 56 32.300 32.061 0.239 1 1 709 . 4 1 1 A 56 56 LYS N N 56 124.500 122.622 1.878 1 1 710 . 4 1 1 A 57 57 SER H H 57 7.670 7.813 -0.143 1 1 711 . 4 1 1 A 57 57 SER HA H 57 3.930 4.037 -0.107 1 1 714 . 4 1 1 A 57 57 SER C C 57 174.100 175.029 -0.929 1 1 715 . 4 1 1 A 57 57 SER CA C 57 60.700 60.795 -0.095 1 1 716 . 4 1 1 A 57 57 SER CB C 57 62.800 62.222 0.578 1 1 717 . 4 1 1 A 57 57 SER N N 57 112.000 114.467 -2.467 1 1 718 . 4 1 1 A 58 58 TYR H H 58 6.990 7.220 -0.230 1 1 719 . 4 1 1 A 58 58 TYR HA H 58 4.800 4.699 0.101 1 1 726 . 4 1 1 A 58 58 TYR C C 58 173.300 174.719 -1.419 1 1 727 . 4 1 1 A 58 58 TYR CA C 58 57.400 58.246 -0.846 1 1 728 . 4 1 1 A 58 58 TYR CB C 58 40.500 39.395 1.105 1 1 733 . 4 1 1 A 58 58 TYR N N 58 116.100 119.260 -3.160 1 1 734 . 4 1 1 A 59 59 ILE H H 59 7.300 7.511 -0.211 1 1 735 . 4 1 1 A 59 59 ILE HA H 59 4.790 4.731 0.059 1 1 745 . 4 1 1 A 59 59 ILE C C 59 174.500 174.576 -0.076 1 1 746 . 4 1 1 A 59 59 ILE CA C 59 59.300 60.120 -0.820 1 1 747 . 4 1 1 A 59 59 ILE CB C 59 40.800 38.867 1.933 1 1 751 . 4 1 1 A 59 59 ILE N N 59 119.000 120.464 -1.464 1 1 752 . 4 1 1 A 60 60 THR H H 60 8.980 8.936 0.044 1 1 753 . 4 1 1 A 60 60 THR HA H 60 4.580 4.879 -0.299 1 1 758 . 4 1 1 A 60 60 THR C C 60 173.800 173.464 0.336 1 1 759 . 4 1 1 A 60 60 THR CA C 60 60.800 61.616 -0.816 1 1 760 . 4 1 1 A 60 60 THR CB C 60 71.100 70.755 0.345 1 1 762 . 4 1 1 A 60 60 THR N N 60 123.600 124.003 -0.403 1 1 763 . 4 1 1 A 61 61 ILE H H 61 8.680 8.586 0.094 1 1 764 . 4 1 1 A 61 61 ILE HA H 61 4.180 4.074 0.106 1 1 774 . 4 1 1 A 61 61 ILE C C 61 176.400 175.999 0.401 1 1 775 . 4 1 1 A 61 61 ILE CA C 61 61.800 61.438 0.362 1 1 776 . 4 1 1 A 61 61 ILE CB C 61 37.900 37.522 0.378 1 1 780 . 4 1 1 A 61 61 ILE N N 61 127.200 128.227 -1.027 1 1 781 . 4 1 1 A 62 62 VAL H H 62 8.370 8.631 -0.261 1 1 782 . 4 1 1 A 62 62 VAL HA H 62 4.140 3.996 0.144 1 1 790 . 4 1 1 A 62 62 VAL C C 62 175.200 175.934 -0.734 1 1 791 . 4 1 1 A 62 62 VAL CA C 62 61.800 62.273 -0.473 1 1 792 . 4 1 1 A 62 62 VAL CB C 62 33.200 32.134 1.066 1 1 795 . 4 1 1 A 62 62 VAL N N 62 126.600 127.924 -1.324 1 1 796 . 4 1 1 A 63 63 ASN H H 63 8.590 9.031 -0.441 1 1 797 . 4 1 1 A 63 63 ASN HA H 63 4.730 4.226 0.504 1 1 802 . 4 1 1 A 63 63 ASN C C 63 175.200 174.845 0.355 1 1 803 . 4 1 1 A 63 63 ASN CA C 63 53.200 54.158 -0.958 1 1 804 . 4 1 1 A 63 63 ASN CB C 63 39.100 37.028 2.072 1 1 806 . 4 1 1 A 63 63 ASN N N 63 123.500 121.739 1.761 1 1 808 . 4 1 1 A 64 64 GLU H H 64 8.620 7.859 0.761 1 1 809 . 4 1 1 A 64 64 GLU HA H 64 4.250 4.278 -0.028 1 1 814 . 4 1 1 A 64 64 GLU C C 64 177.000 176.774 0.226 1 1 815 . 4 1 1 A 64 64 GLU CA C 64 57.100 56.578 0.522 1 1 816 . 4 1 1 A 64 64 GLU CB C 64 30.400 30.919 -0.519 1 1 818 . 4 1 1 A 64 64 GLU N N 64 122.700 117.373 5.327 1 1 819 . 4 1 1 A 65 65 GLY H H 65 8.490 8.520 -0.030 1 1 820 . 4 1 1 A 65 65 GLY HA2 H 65 3.980 3.976 0.004 1 1 821 . 4 1 1 A 65 65 GLY HA3 H 65 3.980 3.982 -0.002 1 1 822 . 4 1 1 A 65 65 GLY C C 65 174.300 173.327 0.973 1 1 823 . 4 1 1 A 65 65 GLY CA C 65 45.500 45.917 -0.417 1 1 824 . 4 1 1 A 65 65 GLY N N 65 109.600 109.511 0.089 1 1 825 . 4 1 1 A 66 66 SER H H 66 8.180 8.720 -0.540 1 1 826 . 4 1 1 A 66 66 SER HA H 66 4.450 4.491 -0.041 1 1 829 . 4 1 1 A 66 66 SER C C 66 174.900 174.303 0.597 1 1 830 . 4 1 1 A 66 66 SER CA C 66 58.300 58.235 0.065 1 1 831 . 4 1 1 A 66 66 SER CB C 66 63.700 63.704 -0.004 1 1 832 . 4 1 1 A 66 66 SER N N 66 115.500 120.577 -5.077 1 1 833 . 4 1 1 A 67 67 LEU H H 67 8.300 9.278 -0.978 1 1 834 . 4 1 1 A 67 67 LEU HA H 67 4.300 4.382 -0.082 1 1 844 . 4 1 1 A 67 67 LEU C C 67 177.500 176.539 0.961 1 1 845 . 4 1 1 A 67 67 LEU CA C 67 55.400 57.175 -1.775 1 1 846 . 4 1 1 A 67 67 LEU CB C 67 42.200 40.834 1.366 1 1 850 . 4 1 1 A 67 67 LEU N N 67 123.800 128.634 -4.834 1 1 851 . 4 1 1 A 68 68 GLU H H 68 8.270 9.112 -0.842 1 1 852 . 4 1 1 A 68 68 GLU HA H 68 4.160 3.972 0.188 1 1 857 . 4 1 1 A 68 68 GLU CA C 68 56.900 57.873 -0.973 1 1 858 . 4 1 1 A 68 68 GLU CB C 68 30.100 27.628 2.472 1 1 860 . 4 1 1 A 68 68 GLU N N 68 120.700 117.417 3.283 1 1 861 . 4 1 1 A 69 69 HIS C C 69 173.900 175.261 -1.361 1 1 862 . 4 1 1 A 70 70 HIS H H 70 8.140 7.814 0.326 1 1 863 . 4 1 1 A 70 70 HIS CA C 70 57.200 57.820 -0.620 1 1 864 . 4 1 1 A 70 70 HIS CB C 70 30.200 29.286 0.914 1 1 14 . 5 1 1 A 2 2 GLN H H 2 9.330 8.946 0.384 1 1 15 . 5 1 1 A 2 2 GLN HA H 2 5.000 5.204 -0.204 1 1 22 . 5 1 1 A 2 2 GLN C C 2 174.500 175.618 -1.118 1 1 23 . 5 1 1 A 2 2 GLN CA C 2 55.500 54.250 1.250 1 1 24 . 5 1 1 A 2 2 GLN CB C 2 31.700 31.144 0.556 1 1 26 . 5 1 1 A 2 2 GLN N N 2 125.400 125.430 -0.030 1 1 28 . 5 1 1 A 3 3 GLY H H 3 8.860 8.776 0.084 1 1 29 . 5 1 1 A 3 3 GLY HA2 H 3 3.070 4.039 -0.969 1 1 30 . 5 1 1 A 3 3 GLY HA3 H 3 5.250 4.052 1.198 1 1 31 . 5 1 1 A 3 3 GLY C C 3 171.800 172.747 -0.947 1 1 32 . 5 1 1 A 3 3 GLY CA C 3 44.300 44.526 -0.226 1 1 33 . 5 1 1 A 3 3 GLY N N 3 108.200 111.927 -3.727 1 1 34 . 5 1 1 A 4 4 VAL H H 4 9.060 8.857 0.203 1 1 35 . 5 1 1 A 4 4 VAL HA H 4 5.080 4.763 0.317 1 1 43 . 5 1 1 A 4 4 VAL C C 4 174.500 174.894 -0.394 1 1 44 . 5 1 1 A 4 4 VAL CA C 4 59.800 60.313 -0.513 1 1 45 . 5 1 1 A 4 4 VAL CB C 4 35.300 35.188 0.112 1 1 48 . 5 1 1 A 4 4 VAL N N 4 120.200 121.754 -1.554 1 1 49 . 5 1 1 A 5 5 VAL H H 5 8.750 8.521 0.229 1 1 50 . 5 1 1 A 5 5 VAL HA H 5 4.190 4.188 0.002 1 1 58 . 5 1 1 A 5 5 VAL C C 5 175.800 175.249 0.551 1 1 59 . 5 1 1 A 5 5 VAL CA C 5 62.800 62.349 0.451 1 1 60 . 5 1 1 A 5 5 VAL CB C 5 31.900 31.604 0.296 1 1 63 . 5 1 1 A 5 5 VAL N N 5 128.600 127.720 0.880 1 1 64 . 5 1 1 A 6 6 LYS H H 6 8.830 8.491 0.339 1 1 65 . 5 1 1 A 6 6 LYS HA H 6 5.250 4.993 0.257 1 1 74 . 5 1 1 A 6 6 LYS C C 6 174.800 175.139 -0.339 1 1 75 . 5 1 1 A 6 6 LYS CA C 6 54.300 55.216 -0.916 1 1 76 . 5 1 1 A 6 6 LYS CB C 6 33.200 34.005 -0.805 1 1 80 . 5 1 1 A 6 6 LYS N N 6 131.400 127.350 4.050 1 1 81 . 5 1 1 A 7 7 VAL H H 7 8.270 8.476 -0.206 1 1 82 . 5 1 1 A 7 7 VAL HA H 7 4.640 4.682 -0.042 1 1 90 . 5 1 1 A 7 7 VAL C C 7 173.400 175.688 -2.288 1 1 91 . 5 1 1 A 7 7 VAL CA C 7 59.700 58.890 0.810 1 1 92 . 5 1 1 A 7 7 VAL CB C 7 35.400 35.797 -0.397 1 1 95 . 5 1 1 A 7 7 VAL N N 7 119.000 119.094 -0.094 1 1 96 . 5 1 1 A 8 8 ASN H H 8 8.560 8.913 -0.353 1 1 97 . 5 1 1 A 8 8 ASN HA H 8 4.690 4.646 0.044 1 1 102 . 5 1 1 A 8 8 ASN C C 8 175.600 175.046 0.554 1 1 103 . 5 1 1 A 8 8 ASN CA C 8 54.500 53.900 0.600 1 1 104 . 5 1 1 A 8 8 ASN CB C 8 38.700 38.883 -0.183 1 1 106 . 5 1 1 A 8 8 ASN N N 8 120.700 119.701 0.999 1 1 108 . 5 1 1 A 9 9 SER H H 9 7.630 7.586 0.044 1 1 109 . 5 1 1 A 9 9 SER HA H 9 4.450 4.562 -0.112 1 1 112 . 5 1 1 A 9 9 SER C C 9 172.800 172.934 -0.134 1 1 113 . 5 1 1 A 9 9 SER CA C 9 58.100 55.891 2.209 1 1 114 . 5 1 1 A 9 9 SER CB C 9 63.500 65.241 -1.741 1 1 115 . 5 1 1 A 9 9 SER N N 9 112.800 112.542 0.258 1 1 116 . 5 1 1 A 10 10 ALA H H 10 8.330 8.295 0.035 1 1 117 . 5 1 1 A 10 10 ALA HA H 10 4.530 4.387 0.143 1 1 121 . 5 1 1 A 10 10 ALA C C 10 175.300 176.820 -1.520 1 1 122 . 5 1 1 A 10 10 ALA CA C 10 52.400 52.376 0.024 1 1 123 . 5 1 1 A 10 10 ALA CB C 10 20.900 19.307 1.593 1 1 124 . 5 1 1 A 10 10 ALA N N 10 123.900 124.461 -0.561 1 1 125 . 5 1 1 A 11 11 LEU H H 11 8.930 9.052 -0.122 1 1 126 . 5 1 1 A 11 11 LEU HA H 11 4.530 4.995 -0.465 1 1 136 . 5 1 1 A 11 11 LEU C C 11 175.300 175.115 0.185 1 1 137 . 5 1 1 A 11 11 LEU CA C 11 52.600 53.421 -0.821 1 1 138 . 5 1 1 A 11 11 LEU CB C 11 45.900 45.895 0.005 1 1 142 . 5 1 1 A 11 11 LEU N N 11 123.600 123.314 0.286 1 1 143 . 5 1 1 A 12 12 ASN H H 12 8.800 8.583 0.217 1 1 144 . 5 1 1 A 12 12 ASN HA H 12 5.030 5.073 -0.043 1 1 149 . 5 1 1 A 12 12 ASN C C 12 174.000 174.558 -0.558 1 1 150 . 5 1 1 A 12 12 ASN CA C 12 53.800 53.045 0.755 1 1 151 . 5 1 1 A 12 12 ASN CB C 12 39.500 39.753 -0.253 1 1 153 . 5 1 1 A 12 12 ASN N N 12 123.600 124.437 -0.837 1 1 155 . 5 1 1 A 13 13 MET H H 13 8.630 8.737 -0.107 1 1 156 . 5 1 1 A 13 13 MET HA H 13 4.970 5.254 -0.284 1 1 164 . 5 1 1 A 13 13 MET C C 13 176.000 174.850 1.150 1 1 165 . 5 1 1 A 13 13 MET CA C 13 54.900 54.214 0.686 1 1 166 . 5 1 1 A 13 13 MET CB C 13 35.200 35.537 -0.337 1 1 169 . 5 1 1 A 13 13 MET N N 13 122.600 123.957 -1.357 1 1 170 . 5 1 1 A 14 14 ARG H H 14 9.730 8.459 1.271 1 1 171 . 5 1 1 A 14 14 ARG HA H 14 5.760 4.733 1.027 1 1 178 . 5 1 1 A 14 14 ARG C C 14 177.700 176.599 1.101 1 1 179 . 5 1 1 A 14 14 ARG CA C 14 54.900 54.220 0.680 1 1 180 . 5 1 1 A 14 14 ARG CB C 14 34.600 32.500 2.100 1 1 183 . 5 1 1 A 14 14 ARG N N 14 125.200 125.650 -0.450 1 1 184 . 5 1 1 A 15 15 SER H H 15 9.010 8.875 0.135 1 1 185 . 5 1 1 A 15 15 SER HA H 15 4.580 4.139 0.441 1 1 188 . 5 1 1 A 15 15 SER C C 15 173.100 174.215 -1.115 1 1 189 . 5 1 1 A 15 15 SER CA C 15 59.100 61.322 -2.222 1 1 190 . 5 1 1 A 15 15 SER CB C 15 63.600 63.541 0.059 1 1 191 . 5 1 1 A 15 15 SER N N 15 113.600 118.469 -4.869 1 1 192 . 5 1 1 A 16 16 GLY H H 16 6.940 7.242 -0.302 1 1 193 . 5 1 1 A 16 16 GLY HA2 H 16 1.050 3.404 -2.354 1 1 194 . 5 1 1 A 16 16 GLY HA3 H 16 3.010 3.501 -0.491 1 1 195 . 5 1 1 A 16 16 GLY CA C 16 43.700 44.135 -0.435 1 1 196 . 5 1 1 A 16 16 GLY N N 16 109.500 106.821 2.679 1 1 197 . 5 1 1 A 17 17 PRO HA H 17 3.070 3.659 -0.589 1 1 204 . 5 1 1 A 17 17 PRO C C 17 172.400 175.212 -2.812 1 1 205 . 5 1 1 A 17 17 PRO CA C 17 60.200 61.677 -1.477 1 1 206 . 5 1 1 A 17 17 PRO CB C 17 28.300 28.830 -0.530 1 1 209 . 5 1 1 A 18 18 GLY H H 18 6.650 7.289 -0.639 1 1 210 . 5 1 1 A 18 18 GLY HA2 H 18 3.630 3.985 -0.355 1 1 211 . 5 1 1 A 18 18 GLY HA3 H 18 4.010 4.061 -0.051 1 1 212 . 5 1 1 A 18 18 GLY C C 18 173.200 174.445 -1.245 1 1 213 . 5 1 1 A 18 18 GLY CA C 18 46.200 45.574 0.626 1 1 214 . 5 1 1 A 18 18 GLY N N 18 110.400 109.955 0.445 1 1 215 . 5 1 1 A 19 19 SER H H 19 8.960 9.034 -0.074 1 1 216 . 5 1 1 A 19 19 SER HA H 19 4.200 4.205 -0.005 1 1 219 . 5 1 1 A 19 19 SER C C 19 173.600 175.068 -1.468 1 1 220 . 5 1 1 A 19 19 SER CA C 19 60.600 60.047 0.553 1 1 221 . 5 1 1 A 19 19 SER CB C 19 63.200 62.819 0.381 1 1 222 . 5 1 1 A 19 19 SER N N 19 115.800 118.389 -2.589 1 1 223 . 5 1 1 A 20 20 ASN H H 20 8.720 7.841 0.879 1 1 224 . 5 1 1 A 20 20 ASN HA H 20 4.560 4.661 -0.101 1 1 229 . 5 1 1 A 20 20 ASN C C 20 175.300 175.935 -0.635 1 1 230 . 5 1 1 A 20 20 ASN CA C 20 53.300 53.273 0.027 1 1 231 . 5 1 1 A 20 20 ASN CB C 20 37.300 38.807 -1.507 1 1 233 . 5 1 1 A 20 20 ASN N N 20 115.000 117.417 -2.417 1 1 235 . 5 1 1 A 21 21 TYR H H 21 7.040 7.880 -0.840 1 1 236 . 5 1 1 A 21 21 TYR HA H 21 4.290 4.603 -0.313 1 1 243 . 5 1 1 A 21 21 TYR C C 21 175.700 176.198 -0.498 1 1 244 . 5 1 1 A 21 21 TYR CA C 21 58.800 58.026 0.774 1 1 245 . 5 1 1 A 21 21 TYR CB C 21 39.400 38.765 0.635 1 1 250 . 5 1 1 A 21 21 TYR N N 21 119.200 116.400 2.800 1 1 251 . 5 1 1 A 22 22 GLY H H 22 8.450 7.989 0.461 1 1 252 . 5 1 1 A 22 22 GLY HA2 H 22 3.820 4.057 -0.237 1 1 253 . 5 1 1 A 22 22 GLY HA3 H 22 4.090 4.063 0.027 1 1 254 . 5 1 1 A 22 22 GLY C C 22 172.700 173.282 -0.582 1 1 255 . 5 1 1 A 22 22 GLY CA C 22 45.300 45.030 0.270 1 1 256 . 5 1 1 A 22 22 GLY N N 22 107.800 108.385 -0.585 1 1 257 . 5 1 1 A 23 23 VAL H H 23 8.470 8.324 0.146 1 1 258 . 5 1 1 A 23 23 VAL HA H 23 4.320 4.716 -0.396 1 1 266 . 5 1 1 A 23 23 VAL C C 23 178.000 176.439 1.561 1 1 267 . 5 1 1 A 23 23 VAL CA C 23 63.700 61.365 2.335 1 1 268 . 5 1 1 A 23 23 VAL CB C 23 32.700 32.182 0.518 1 1 271 . 5 1 1 A 23 23 VAL N N 23 120.200 119.663 0.537 1 1 272 . 5 1 1 A 24 24 ILE H H 24 9.120 8.952 0.168 1 1 273 . 5 1 1 A 24 24 ILE HA H 24 4.740 4.613 0.127 1 1 283 . 5 1 1 A 24 24 ILE C C 24 175.300 175.765 -0.465 1 1 284 . 5 1 1 A 24 24 ILE CA C 24 60.500 60.920 -0.420 1 1 285 . 5 1 1 A 24 24 ILE CB C 24 39.900 38.857 1.043 1 1 289 . 5 1 1 A 24 24 ILE N N 24 120.900 124.648 -3.748 1 1 290 . 5 1 1 A 25 25 GLY H H 25 7.770 7.530 0.240 1 1 291 . 5 1 1 A 25 25 GLY HA2 H 25 4.130 4.131 -0.001 1 1 292 . 5 1 1 A 25 25 GLY HA3 H 25 4.310 4.141 0.169 1 1 293 . 5 1 1 A 25 25 GLY C C 25 171.100 171.338 -0.238 1 1 294 . 5 1 1 A 25 25 GLY CA C 25 45.500 45.639 -0.139 1 1 295 . 5 1 1 A 25 25 GLY N N 25 109.200 109.199 0.001 1 1 296 . 5 1 1 A 26 26 THR H H 26 8.440 8.551 -0.111 1 1 297 . 5 1 1 A 26 26 THR HA H 26 5.080 5.128 -0.048 1 1 302 . 5 1 1 A 26 26 THR C C 26 173.000 173.455 -0.455 1 1 303 . 5 1 1 A 26 26 THR CA C 26 61.400 61.374 0.026 1 1 304 . 5 1 1 A 26 26 THR CB C 26 72.200 71.111 1.089 1 1 306 . 5 1 1 A 26 26 THR N N 26 113.900 115.255 -1.355 1 1 307 . 5 1 1 A 27 27 LEU H H 27 9.180 9.704 -0.524 1 1 308 . 5 1 1 A 27 27 LEU HA H 27 4.480 5.108 -0.628 1 1 318 . 5 1 1 A 27 27 LEU C C 27 174.900 175.611 -0.711 1 1 319 . 5 1 1 A 27 27 LEU CA C 27 53.400 53.094 0.306 1 1 320 . 5 1 1 A 27 27 LEU CB C 27 45.000 45.007 -0.007 1 1 324 . 5 1 1 A 27 27 LEU N N 27 125.600 126.426 -0.826 1 1 325 . 5 1 1 A 28 28 ARG H H 28 9.280 8.794 0.486 1 1 326 . 5 1 1 A 28 28 ARG HA H 28 4.510 4.866 -0.356 1 1 333 . 5 1 1 A 28 28 ARG C C 28 175.300 175.618 -0.318 1 1 334 . 5 1 1 A 28 28 ARG CA C 28 53.300 53.736 -0.436 1 1 335 . 5 1 1 A 28 28 ARG CB C 28 33.100 33.230 -0.130 1 1 338 . 5 1 1 A 28 28 ARG N N 28 120.600 121.387 -0.787 1 1 339 . 5 1 1 A 29 29 ASN H H 29 8.360 8.739 -0.379 1 1 340 . 5 1 1 A 29 29 ASN HA H 29 4.070 4.910 -0.840 1 1 345 . 5 1 1 A 29 29 ASN C C 29 176.500 175.405 1.095 1 1 346 . 5 1 1 A 29 29 ASN CA C 29 56.100 52.580 3.520 1 1 347 . 5 1 1 A 29 29 ASN CB C 29 39.300 39.239 0.061 1 1 349 . 5 1 1 A 29 29 ASN N N 29 117.200 119.650 -2.450 1 1 351 . 5 1 1 A 30 30 ASN H H 30 9.290 8.793 0.497 1 1 352 . 5 1 1 A 30 30 ASN HA H 30 4.300 4.623 -0.323 1 1 357 . 5 1 1 A 30 30 ASN C C 30 175.100 174.084 1.016 1 1 358 . 5 1 1 A 30 30 ASN CA C 30 55.500 54.742 0.758 1 1 359 . 5 1 1 A 30 30 ASN CB C 30 37.300 38.130 -0.830 1 1 361 . 5 1 1 A 30 30 ASN N N 30 118.900 118.050 0.850 1 1 363 . 5 1 1 A 31 31 ASP H H 31 8.210 8.137 0.073 1 1 364 . 5 1 1 A 31 31 ASP HA H 31 4.700 4.601 0.099 1 1 367 . 5 1 1 A 31 31 ASP C C 31 175.300 176.162 -0.862 1 1 368 . 5 1 1 A 31 31 ASP CA C 31 56.500 54.823 1.677 1 1 369 . 5 1 1 A 31 31 ASP CB C 31 41.200 41.421 -0.221 1 1 370 . 5 1 1 A 31 31 ASP N N 31 122.300 121.842 0.458 1 1 371 . 5 1 1 A 32 32 LYS H H 32 8.510 8.638 -0.128 1 1 372 . 5 1 1 A 32 32 LYS HA H 32 5.140 5.072 0.068 1 1 381 . 5 1 1 A 32 32 LYS C C 32 176.600 175.735 0.865 1 1 382 . 5 1 1 A 32 32 LYS CA C 32 55.400 55.254 0.146 1 1 383 . 5 1 1 A 32 32 LYS CB C 32 33.500 34.671 -1.171 1 1 387 . 5 1 1 A 32 32 LYS N N 32 121.500 120.558 0.942 1 1 388 . 5 1 1 A 33 33 VAL H H 33 8.650 9.031 -0.381 1 1 389 . 5 1 1 A 33 33 VAL HA H 33 5.020 4.987 0.033 1 1 397 . 5 1 1 A 33 33 VAL C C 33 174.200 174.457 -0.257 1 1 398 . 5 1 1 A 33 33 VAL CA C 33 58.200 58.711 -0.511 1 1 399 . 5 1 1 A 33 33 VAL CB C 33 34.900 35.509 -0.609 1 1 402 . 5 1 1 A 33 33 VAL N N 33 113.500 117.668 -4.168 1 1 403 . 5 1 1 A 34 34 GLU H H 34 8.070 8.589 -0.519 1 1 404 . 5 1 1 A 34 34 GLU HA H 34 4.780 4.791 -0.011 1 1 409 . 5 1 1 A 34 34 GLU C C 34 176.000 175.716 0.284 1 1 410 . 5 1 1 A 34 34 GLU CA C 34 55.000 55.781 -0.781 1 1 411 . 5 1 1 A 34 34 GLU CB C 34 31.400 31.221 0.179 1 1 413 . 5 1 1 A 34 34 GLU N N 34 122.300 120.695 1.605 1 1 414 . 5 1 1 A 35 35 ILE H H 35 8.610 8.567 0.043 1 1 415 . 5 1 1 A 35 35 ILE HA H 35 4.100 4.579 -0.479 1 1 425 . 5 1 1 A 35 35 ILE C C 35 175.600 175.600 0.000 1 1 426 . 5 1 1 A 35 35 ILE CA C 35 61.200 60.684 0.516 1 1 427 . 5 1 1 A 35 35 ILE CB C 35 38.800 38.116 0.684 1 1 431 . 5 1 1 A 35 35 ILE N N 35 125.500 124.468 1.032 1 1 432 . 5 1 1 A 36 36 ILE H H 36 9.450 8.695 0.755 1 1 433 . 5 1 1 A 36 36 ILE HA H 36 3.990 4.139 -0.149 1 1 443 . 5 1 1 A 36 36 ILE C C 36 176.500 175.917 0.583 1 1 444 . 5 1 1 A 36 36 ILE CA C 36 63.100 62.600 0.500 1 1 445 . 5 1 1 A 36 36 ILE CB C 36 38.800 38.233 0.567 1 1 449 . 5 1 1 A 36 36 ILE N N 36 129.500 128.611 0.889 1 1 450 . 5 1 1 A 37 37 LYS H H 37 7.630 7.499 0.131 1 1 451 . 5 1 1 A 37 37 LYS HA H 37 4.670 4.741 -0.071 1 1 460 . 5 1 1 A 37 37 LYS C C 37 173.100 173.540 -0.440 1 1 461 . 5 1 1 A 37 37 LYS CA C 37 55.700 55.767 -0.067 1 1 462 . 5 1 1 A 37 37 LYS CB C 37 34.700 36.087 -1.387 1 1 466 . 5 1 1 A 37 37 LYS N N 37 113.300 117.628 -4.328 1 1 467 . 5 1 1 A 38 38 GLU H H 38 8.800 8.973 -0.173 1 1 468 . 5 1 1 A 38 38 GLU HA H 38 5.360 5.334 0.026 1 1 473 . 5 1 1 A 38 38 GLU C C 38 175.300 175.233 0.067 1 1 474 . 5 1 1 A 38 38 GLU CA C 38 55.400 55.002 0.398 1 1 475 . 5 1 1 A 38 38 GLU CB C 38 32.500 32.449 0.051 1 1 477 . 5 1 1 A 38 38 GLU N N 38 122.000 125.184 -3.184 1 1 478 . 5 1 1 A 39 39 VAL H H 39 9.550 9.164 0.386 1 1 479 . 5 1 1 A 39 39 VAL HA H 39 4.360 4.535 -0.175 1 1 487 . 5 1 1 A 39 39 VAL C C 39 174.500 175.652 -1.152 1 1 488 . 5 1 1 A 39 39 VAL CA C 39 61.600 61.145 0.455 1 1 489 . 5 1 1 A 39 39 VAL CB C 39 34.400 34.462 -0.062 1 1 492 . 5 1 1 A 39 39 VAL N N 39 126.000 126.193 -0.193 1 1 493 . 5 1 1 A 40 40 ASP H H 40 8.960 9.448 -0.488 1 1 494 . 5 1 1 A 40 40 ASP HA H 40 4.340 4.384 -0.044 1 1 497 . 5 1 1 A 40 40 ASP C C 40 175.800 176.255 -0.455 1 1 498 . 5 1 1 A 40 40 ASP CA C 40 55.900 55.714 0.186 1 1 499 . 5 1 1 A 40 40 ASP CB C 40 40.700 39.656 1.044 1 1 500 . 5 1 1 A 40 40 ASP N N 40 125.700 128.923 -3.223 1 1 501 . 5 1 1 A 41 41 GLY H H 41 8.870 8.268 0.602 1 1 502 . 5 1 1 A 41 41 GLY HA2 H 41 3.510 3.644 -0.134 1 1 503 . 5 1 1 A 41 41 GLY HA3 H 41 4.190 3.669 0.521 1 1 504 . 5 1 1 A 41 41 GLY C C 41 173.900 173.897 0.003 1 1 505 . 5 1 1 A 41 41 GLY CA C 41 45.700 45.235 0.465 1 1 506 . 5 1 1 A 41 41 GLY N N 41 105.500 104.821 0.679 1 1 507 . 5 1 1 A 42 42 TRP H H 42 8.580 8.308 0.272 1 1 508 . 5 1 1 A 42 42 TRP HA H 42 4.700 4.648 0.052 1 1 517 . 5 1 1 A 42 42 TRP C C 42 175.300 175.751 -0.451 1 1 518 . 5 1 1 A 42 42 TRP CA C 42 56.300 57.466 -1.166 1 1 519 . 5 1 1 A 42 42 TRP CB C 42 31.300 30.532 0.768 1 1 525 . 5 1 1 A 42 42 TRP N N 42 122.900 121.041 1.859 1 1 527 . 5 1 1 A 43 43 TYR H H 43 9.400 8.665 0.735 1 1 528 . 5 1 1 A 43 43 TYR HA H 43 5.630 5.177 0.453 1 1 535 . 5 1 1 A 43 43 TYR C C 43 175.800 175.371 0.429 1 1 536 . 5 1 1 A 43 43 TYR CA C 43 55.900 57.097 -1.197 1 1 537 . 5 1 1 A 43 43 TYR CB C 43 40.200 40.262 -0.062 1 1 542 . 5 1 1 A 43 43 TYR N N 43 119.000 122.371 -3.371 1 1 543 . 5 1 1 A 44 44 GLU H H 44 9.110 9.315 -0.205 1 1 544 . 5 1 1 A 44 44 GLU HA H 44 4.040 3.710 0.330 1 1 549 . 5 1 1 A 44 44 GLU C C 44 175.500 176.277 -0.777 1 1 550 . 5 1 1 A 44 44 GLU CA C 44 55.500 55.883 -0.383 1 1 551 . 5 1 1 A 44 44 GLU CB C 44 31.200 30.582 0.618 1 1 553 . 5 1 1 A 44 44 GLU N N 44 125.600 124.439 1.161 1 1 554 . 5 1 1 A 45 45 ILE H H 45 9.300 8.921 0.379 1 1 555 . 5 1 1 A 45 45 ILE HA H 45 5.550 5.271 0.279 1 1 565 . 5 1 1 A 45 45 ILE C C 45 173.700 173.593 0.107 1 1 566 . 5 1 1 A 45 45 ILE CA C 45 58.300 58.624 -0.324 1 1 567 . 5 1 1 A 45 45 ILE CB C 45 43.200 42.279 0.921 1 1 571 . 5 1 1 A 45 45 ILE N N 45 122.700 120.649 2.051 1 1 572 . 5 1 1 A 46 46 ARG H H 46 8.730 8.418 0.312 1 1 573 . 5 1 1 A 46 46 ARG HA H 46 5.310 5.685 -0.375 1 1 580 . 5 1 1 A 46 46 ARG C C 46 176.400 174.722 1.678 1 1 581 . 5 1 1 A 46 46 ARG CA C 46 54.400 54.346 0.054 1 1 582 . 5 1 1 A 46 46 ARG CB C 46 33.600 33.413 0.187 1 1 585 . 5 1 1 A 46 46 ARG N N 46 118.900 122.971 -4.071 1 1 586 . 5 1 1 A 47 47 PHE H H 47 9.080 9.652 -0.572 1 1 587 . 5 1 1 A 47 47 PHE HA H 47 4.850 4.771 0.079 1 1 595 . 5 1 1 A 47 47 PHE C C 47 174.500 174.818 -0.318 1 1 596 . 5 1 1 A 47 47 PHE CA C 47 57.300 57.834 -0.534 1 1 597 . 5 1 1 A 47 47 PHE CB C 47 42.500 42.855 -0.355 1 1 603 . 5 1 1 A 47 47 PHE N N 47 126.500 126.797 -0.297 1 1 604 . 5 1 1 A 48 48 ASN H H 48 9.140 8.406 0.734 1 1 605 . 5 1 1 A 48 48 ASN HA H 48 4.080 4.163 -0.083 1 1 610 . 5 1 1 A 48 48 ASN C C 48 175.100 175.107 -0.007 1 1 611 . 5 1 1 A 48 48 ASN CA C 48 53.500 53.642 -0.142 1 1 612 . 5 1 1 A 48 48 ASN CB C 48 37.100 36.086 1.014 1 1 614 . 5 1 1 A 48 48 ASN N N 48 128.500 125.433 3.067 1 1 616 . 5 1 1 A 49 49 GLY H H 49 8.600 8.491 0.109 1 1 617 . 5 1 1 A 49 49 GLY HA2 H 49 3.510 3.823 -0.313 1 1 618 . 5 1 1 A 49 49 GLY HA3 H 49 4.110 3.826 0.284 1 1 619 . 5 1 1 A 49 49 GLY C C 49 173.600 173.726 -0.126 1 1 620 . 5 1 1 A 49 49 GLY CA C 49 45.600 45.948 -0.348 1 1 621 . 5 1 1 A 49 49 GLY N N 49 103.100 107.685 -4.585 1 1 622 . 5 1 1 A 50 50 LYS H H 50 7.850 8.312 -0.462 1 1 623 . 5 1 1 A 50 50 LYS HA H 50 4.620 4.911 -0.291 1 1 632 . 5 1 1 A 50 50 LYS C C 50 174.600 175.006 -0.406 1 1 633 . 5 1 1 A 50 50 LYS CA C 50 54.900 54.212 0.688 1 1 634 . 5 1 1 A 50 50 LYS CB C 50 35.100 35.425 -0.325 1 1 638 . 5 1 1 A 50 50 LYS N N 50 121.700 120.011 1.689 1 1 639 . 5 1 1 A 51 51 VAL H H 51 8.120 8.680 -0.560 1 1 640 . 5 1 1 A 51 51 VAL HA H 51 5.100 5.204 -0.104 1 1 648 . 5 1 1 A 51 51 VAL C C 51 176.100 175.630 0.470 1 1 649 . 5 1 1 A 51 51 VAL CA C 51 60.700 60.263 0.437 1 1 650 . 5 1 1 A 51 51 VAL CB C 51 33.400 34.407 -1.007 1 1 653 . 5 1 1 A 51 51 VAL N N 51 122.100 122.721 -0.621 1 1 654 . 5 1 1 A 52 52 GLY H H 52 8.430 8.445 -0.015 1 1 655 . 5 1 1 A 52 52 GLY HA2 H 52 3.760 4.318 -0.558 1 1 656 . 5 1 1 A 52 52 GLY HA3 H 52 4.230 4.366 -0.136 1 1 657 . 5 1 1 A 52 52 GLY C C 52 170.300 171.653 -1.353 1 1 658 . 5 1 1 A 52 52 GLY CA C 52 45.600 45.941 -0.341 1 1 659 . 5 1 1 A 52 52 GLY N N 52 113.100 112.913 0.187 1 1 660 . 5 1 1 A 53 53 TYR H H 53 9.260 8.886 0.374 1 1 661 . 5 1 1 A 53 53 TYR HA H 53 5.990 5.847 0.143 1 1 668 . 5 1 1 A 53 53 TYR C C 53 175.700 175.276 0.424 1 1 669 . 5 1 1 A 53 53 TYR CA C 53 56.800 56.866 -0.066 1 1 670 . 5 1 1 A 53 53 TYR CB C 53 42.800 43.527 -0.727 1 1 675 . 5 1 1 A 53 53 TYR N N 53 118.000 118.963 -0.963 1 1 676 . 5 1 1 A 54 54 ALA H H 54 9.210 8.495 0.715 1 1 677 . 5 1 1 A 54 54 ALA HA H 54 5.280 5.441 -0.161 1 1 681 . 5 1 1 A 54 54 ALA C C 54 175.800 175.696 0.104 1 1 682 . 5 1 1 A 54 54 ALA CA C 54 50.900 50.880 0.020 1 1 683 . 5 1 1 A 54 54 ALA CB C 54 23.800 23.662 0.138 1 1 684 . 5 1 1 A 54 54 ALA N N 54 122.000 122.923 -0.923 1 1 685 . 5 1 1 A 55 55 SER H H 55 8.620 8.824 -0.204 1 1 686 . 5 1 1 A 55 55 SER HA H 55 3.270 4.024 -0.754 1 1 689 . 5 1 1 A 55 55 SER C C 55 175.400 175.835 -0.435 1 1 690 . 5 1 1 A 55 55 SER CA C 55 59.100 58.385 0.715 1 1 691 . 5 1 1 A 55 55 SER CB C 55 63.200 63.254 -0.054 1 1 692 . 5 1 1 A 55 55 SER N N 55 117.400 115.213 2.187 1 1 693 . 5 1 1 A 56 56 LYS H H 56 7.630 8.434 -0.804 1 1 694 . 5 1 1 A 56 56 LYS HA H 56 3.750 4.210 -0.460 1 1 703 . 5 1 1 A 56 56 LYS C C 56 177.100 178.292 -1.192 1 1 704 . 5 1 1 A 56 56 LYS CA C 56 58.600 59.064 -0.464 1 1 705 . 5 1 1 A 56 56 LYS CB C 56 32.300 32.075 0.225 1 1 709 . 5 1 1 A 56 56 LYS N N 56 124.500 125.104 -0.604 1 1 710 . 5 1 1 A 57 57 SER H H 57 7.670 7.547 0.123 1 1 711 . 5 1 1 A 57 57 SER HA H 57 3.930 3.987 -0.057 1 1 714 . 5 1 1 A 57 57 SER C C 57 174.100 175.088 -0.988 1 1 715 . 5 1 1 A 57 57 SER CA C 57 60.700 62.312 -1.612 1 1 716 . 5 1 1 A 57 57 SER CB C 57 62.800 63.002 -0.202 1 1 717 . 5 1 1 A 57 57 SER N N 57 112.000 117.303 -5.303 1 1 718 . 5 1 1 A 58 58 TYR H H 58 6.990 7.569 -0.579 1 1 719 . 5 1 1 A 58 58 TYR HA H 58 4.800 4.683 0.117 1 1 726 . 5 1 1 A 58 58 TYR C C 58 173.300 174.520 -1.220 1 1 727 . 5 1 1 A 58 58 TYR CA C 58 57.400 57.912 -0.512 1 1 728 . 5 1 1 A 58 58 TYR CB C 58 40.500 38.390 2.110 1 1 733 . 5 1 1 A 58 58 TYR N N 58 116.100 117.113 -1.013 1 1 734 . 5 1 1 A 59 59 ILE H H 59 7.300 7.323 -0.023 1 1 735 . 5 1 1 A 59 59 ILE HA H 59 4.790 4.742 0.048 1 1 745 . 5 1 1 A 59 59 ILE C C 59 174.500 174.356 0.144 1 1 746 . 5 1 1 A 59 59 ILE CA C 59 59.300 60.163 -0.863 1 1 747 . 5 1 1 A 59 59 ILE CB C 59 40.800 39.923 0.877 1 1 751 . 5 1 1 A 59 59 ILE N N 59 119.000 120.387 -1.387 1 1 752 . 5 1 1 A 60 60 THR H H 60 8.980 8.812 0.168 1 1 753 . 5 1 1 A 60 60 THR HA H 60 4.580 4.850 -0.270 1 1 758 . 5 1 1 A 60 60 THR C C 60 173.800 173.376 0.424 1 1 759 . 5 1 1 A 60 60 THR CA C 60 60.800 61.751 -0.951 1 1 760 . 5 1 1 A 60 60 THR CB C 60 71.100 70.674 0.426 1 1 762 . 5 1 1 A 60 60 THR N N 60 123.600 123.896 -0.296 1 1 763 . 5 1 1 A 61 61 ILE H H 61 8.680 8.646 0.034 1 1 764 . 5 1 1 A 61 61 ILE HA H 61 4.180 4.092 0.088 1 1 774 . 5 1 1 A 61 61 ILE C C 61 176.400 175.997 0.403 1 1 775 . 5 1 1 A 61 61 ILE CA C 61 61.800 60.413 1.387 1 1 776 . 5 1 1 A 61 61 ILE CB C 61 37.900 37.591 0.309 1 1 780 . 5 1 1 A 61 61 ILE N N 61 127.200 128.209 -1.009 1 1 781 . 5 1 1 A 62 62 VAL H H 62 8.370 8.679 -0.309 1 1 782 . 5 1 1 A 62 62 VAL HA H 62 4.140 3.790 0.350 1 1 790 . 5 1 1 A 62 62 VAL C C 62 175.200 176.240 -1.040 1 1 791 . 5 1 1 A 62 62 VAL CA C 62 61.800 63.622 -1.822 1 1 792 . 5 1 1 A 62 62 VAL CB C 62 33.200 31.768 1.432 1 1 795 . 5 1 1 A 62 62 VAL N N 62 126.600 127.533 -0.933 1 1 796 . 5 1 1 A 63 63 ASN H H 63 8.590 9.039 -0.449 1 1 797 . 5 1 1 A 63 63 ASN HA H 63 4.730 4.548 0.182 1 1 802 . 5 1 1 A 63 63 ASN C C 63 175.200 174.938 0.262 1 1 803 . 5 1 1 A 63 63 ASN CA C 63 53.200 53.925 -0.725 1 1 804 . 5 1 1 A 63 63 ASN CB C 63 39.100 38.237 0.863 1 1 806 . 5 1 1 A 63 63 ASN N N 63 123.500 124.927 -1.427 1 1 808 . 5 1 1 A 64 64 GLU H H 64 8.620 8.995 -0.375 1 1 809 . 5 1 1 A 64 64 GLU HA H 64 4.250 4.056 0.194 1 1 814 . 5 1 1 A 64 64 GLU C C 64 177.000 176.618 0.382 1 1 815 . 5 1 1 A 64 64 GLU CA C 64 57.100 57.368 -0.268 1 1 816 . 5 1 1 A 64 64 GLU CB C 64 30.400 28.467 1.933 1 1 818 . 5 1 1 A 64 64 GLU N N 64 122.700 119.108 3.592 1 1 819 . 5 1 1 A 65 65 GLY H H 65 8.490 8.362 0.128 1 1 820 . 5 1 1 A 65 65 GLY HA2 H 65 3.980 3.854 0.126 1 1 821 . 5 1 1 A 65 65 GLY HA3 H 65 3.980 3.859 0.121 1 1 822 . 5 1 1 A 65 65 GLY C C 65 174.300 174.305 -0.005 1 1 823 . 5 1 1 A 65 65 GLY CA C 65 45.500 46.465 -0.965 1 1 824 . 5 1 1 A 65 65 GLY N N 65 109.600 114.770 -5.170 1 1 825 . 5 1 1 A 66 66 SER H H 66 8.180 8.723 -0.543 1 1 826 . 5 1 1 A 66 66 SER HA H 66 4.450 4.044 0.406 1 1 829 . 5 1 1 A 66 66 SER C C 66 174.900 173.959 0.941 1 1 830 . 5 1 1 A 66 66 SER CA C 66 58.300 61.035 -2.735 1 1 831 . 5 1 1 A 66 66 SER CB C 66 63.700 61.400 2.300 1 1 832 . 5 1 1 A 66 66 SER N N 66 115.500 115.695 -0.195 1 1 833 . 5 1 1 A 67 67 LEU H H 67 8.300 9.031 -0.731 1 1 834 . 5 1 1 A 67 67 LEU HA H 67 4.300 4.008 0.292 1 1 844 . 5 1 1 A 67 67 LEU C C 67 177.500 176.137 1.363 1 1 845 . 5 1 1 A 67 67 LEU CA C 67 55.400 56.907 -1.507 1 1 846 . 5 1 1 A 67 67 LEU CB C 67 42.200 40.654 1.546 1 1 850 . 5 1 1 A 67 67 LEU N N 67 123.800 119.352 4.448 1 1 851 . 5 1 1 A 68 68 GLU H H 68 8.270 9.056 -0.786 1 1 852 . 5 1 1 A 68 68 GLU HA H 68 4.160 4.039 0.121 1 1 857 . 5 1 1 A 68 68 GLU CA C 68 56.900 57.344 -0.444 1 1 858 . 5 1 1 A 68 68 GLU CB C 68 30.100 28.253 1.847 1 1 860 . 5 1 1 A 68 68 GLU N N 68 120.700 121.900 -1.200 1 1 861 . 5 1 1 A 69 69 HIS C C 69 173.900 173.681 0.219 1 1 862 . 5 1 1 A 70 70 HIS H H 70 8.140 8.402 -0.262 1 1 863 . 5 1 1 A 70 70 HIS CA C 70 57.200 56.701 0.499 1 1 864 . 5 1 1 A 70 70 HIS CB C 70 30.200 26.603 3.597 1 1 14 . 6 1 1 A 2 2 GLN H H 2 9.330 8.987 0.343 1 1 15 . 6 1 1 A 2 2 GLN HA H 2 5.000 5.012 -0.012 1 1 22 . 6 1 1 A 2 2 GLN C C 2 174.500 175.651 -1.151 1 1 23 . 6 1 1 A 2 2 GLN CA C 2 55.500 53.893 1.607 1 1 24 . 6 1 1 A 2 2 GLN CB C 2 31.700 31.062 0.638 1 1 26 . 6 1 1 A 2 2 GLN N N 2 125.400 125.466 -0.066 1 1 28 . 6 1 1 A 3 3 GLY H H 3 8.860 8.695 0.165 1 1 29 . 6 1 1 A 3 3 GLY HA2 H 3 3.070 4.080 -1.010 1 1 30 . 6 1 1 A 3 3 GLY HA3 H 3 5.250 4.091 1.159 1 1 31 . 6 1 1 A 3 3 GLY C C 3 171.800 172.697 -0.897 1 1 32 . 6 1 1 A 3 3 GLY CA C 3 44.300 44.529 -0.229 1 1 33 . 6 1 1 A 3 3 GLY N N 3 108.200 111.981 -3.781 1 1 34 . 6 1 1 A 4 4 VAL H H 4 9.060 8.721 0.339 1 1 35 . 6 1 1 A 4 4 VAL HA H 4 5.080 4.800 0.280 1 1 43 . 6 1 1 A 4 4 VAL C C 4 174.500 174.898 -0.398 1 1 44 . 6 1 1 A 4 4 VAL CA C 4 59.800 60.392 -0.592 1 1 45 . 6 1 1 A 4 4 VAL CB C 4 35.300 35.050 0.250 1 1 48 . 6 1 1 A 4 4 VAL N N 4 120.200 122.072 -1.872 1 1 49 . 6 1 1 A 5 5 VAL H H 5 8.750 8.356 0.394 1 1 50 . 6 1 1 A 5 5 VAL HA H 5 4.190 4.107 0.083 1 1 58 . 6 1 1 A 5 5 VAL C C 5 175.800 175.277 0.523 1 1 59 . 6 1 1 A 5 5 VAL CA C 5 62.800 62.587 0.213 1 1 60 . 6 1 1 A 5 5 VAL CB C 5 31.900 31.681 0.219 1 1 63 . 6 1 1 A 5 5 VAL N N 5 128.600 128.020 0.580 1 1 64 . 6 1 1 A 6 6 LYS H H 6 8.830 9.193 -0.363 1 1 65 . 6 1 1 A 6 6 LYS HA H 6 5.250 4.962 0.288 1 1 74 . 6 1 1 A 6 6 LYS C C 6 174.800 175.191 -0.391 1 1 75 . 6 1 1 A 6 6 LYS CA C 6 54.300 55.120 -0.820 1 1 76 . 6 1 1 A 6 6 LYS CB C 6 33.200 33.796 -0.596 1 1 80 . 6 1 1 A 6 6 LYS N N 6 131.400 127.495 3.905 1 1 81 . 6 1 1 A 7 7 VAL H H 7 8.270 8.568 -0.298 1 1 82 . 6 1 1 A 7 7 VAL HA H 7 4.640 4.970 -0.330 1 1 90 . 6 1 1 A 7 7 VAL C C 7 173.400 175.460 -2.060 1 1 91 . 6 1 1 A 7 7 VAL CA C 7 59.700 59.851 -0.151 1 1 92 . 6 1 1 A 7 7 VAL CB C 7 35.400 35.618 -0.218 1 1 95 . 6 1 1 A 7 7 VAL N N 7 119.000 122.832 -3.832 1 1 96 . 6 1 1 A 8 8 ASN H H 8 8.560 8.971 -0.411 1 1 97 . 6 1 1 A 8 8 ASN HA H 8 4.690 4.456 0.234 1 1 102 . 6 1 1 A 8 8 ASN C C 8 175.600 175.846 -0.246 1 1 103 . 6 1 1 A 8 8 ASN CA C 8 54.500 56.250 -1.750 1 1 104 . 6 1 1 A 8 8 ASN CB C 8 38.700 38.670 0.030 1 1 106 . 6 1 1 A 8 8 ASN N N 8 120.700 125.889 -5.189 1 1 108 . 6 1 1 A 9 9 SER H H 9 7.630 8.027 -0.397 1 1 109 . 6 1 1 A 9 9 SER HA H 9 4.450 4.630 -0.180 1 1 112 . 6 1 1 A 9 9 SER C C 9 172.800 174.169 -1.369 1 1 113 . 6 1 1 A 9 9 SER CA C 9 58.100 59.485 -1.385 1 1 114 . 6 1 1 A 9 9 SER CB C 9 63.500 65.921 -2.421 1 1 115 . 6 1 1 A 9 9 SER N N 9 112.800 109.915 2.885 1 1 116 . 6 1 1 A 10 10 ALA H H 10 8.330 7.555 0.775 1 1 117 . 6 1 1 A 10 10 ALA HA H 10 4.530 4.932 -0.402 1 1 121 . 6 1 1 A 10 10 ALA C C 10 175.300 174.439 0.861 1 1 122 . 6 1 1 A 10 10 ALA CA C 10 52.400 51.563 0.837 1 1 123 . 6 1 1 A 10 10 ALA CB C 10 20.900 22.907 -2.007 1 1 124 . 6 1 1 A 10 10 ALA N N 10 123.900 118.589 5.311 1 1 125 . 6 1 1 A 11 11 LEU H H 11 8.930 9.026 -0.096 1 1 126 . 6 1 1 A 11 11 LEU HA H 11 4.530 5.014 -0.484 1 1 136 . 6 1 1 A 11 11 LEU C C 11 175.300 176.162 -0.862 1 1 137 . 6 1 1 A 11 11 LEU CA C 11 52.600 53.198 -0.598 1 1 138 . 6 1 1 A 11 11 LEU CB C 11 45.900 45.240 0.660 1 1 142 . 6 1 1 A 11 11 LEU N N 11 123.600 123.020 0.580 1 1 143 . 6 1 1 A 12 12 ASN H H 12 8.800 8.826 -0.026 1 1 144 . 6 1 1 A 12 12 ASN HA H 12 5.030 4.714 0.316 1 1 149 . 6 1 1 A 12 12 ASN C C 12 174.000 174.679 -0.679 1 1 150 . 6 1 1 A 12 12 ASN CA C 12 53.800 53.523 0.277 1 1 151 . 6 1 1 A 12 12 ASN CB C 12 39.500 38.692 0.808 1 1 153 . 6 1 1 A 12 12 ASN N N 12 123.600 123.854 -0.254 1 1 155 . 6 1 1 A 13 13 MET H H 13 8.630 8.971 -0.341 1 1 156 . 6 1 1 A 13 13 MET HA H 13 4.970 5.205 -0.235 1 1 164 . 6 1 1 A 13 13 MET C C 13 176.000 175.217 0.783 1 1 165 . 6 1 1 A 13 13 MET CA C 13 54.900 54.138 0.762 1 1 166 . 6 1 1 A 13 13 MET CB C 13 35.200 35.488 -0.288 1 1 169 . 6 1 1 A 13 13 MET N N 13 122.600 123.638 -1.038 1 1 170 . 6 1 1 A 14 14 ARG H H 14 9.730 8.903 0.827 1 1 171 . 6 1 1 A 14 14 ARG HA H 14 5.760 4.621 1.139 1 1 178 . 6 1 1 A 14 14 ARG C C 14 177.700 177.189 0.511 1 1 179 . 6 1 1 A 14 14 ARG CA C 14 54.900 54.785 0.115 1 1 180 . 6 1 1 A 14 14 ARG CB C 14 34.600 32.295 2.305 1 1 183 . 6 1 1 A 14 14 ARG N N 14 125.200 125.221 -0.021 1 1 184 . 6 1 1 A 15 15 SER H H 15 9.010 8.914 0.096 1 1 185 . 6 1 1 A 15 15 SER HA H 15 4.580 4.470 0.110 1 1 188 . 6 1 1 A 15 15 SER C C 15 173.100 174.397 -1.297 1 1 189 . 6 1 1 A 15 15 SER CA C 15 59.100 59.243 -0.143 1 1 190 . 6 1 1 A 15 15 SER CB C 15 63.600 63.909 -0.309 1 1 191 . 6 1 1 A 15 15 SER N N 15 113.600 115.268 -1.668 1 1 192 . 6 1 1 A 16 16 GLY H H 16 6.940 7.293 -0.353 1 1 193 . 6 1 1 A 16 16 GLY HA2 H 16 1.050 2.988 -1.938 1 1 194 . 6 1 1 A 16 16 GLY HA3 H 16 3.010 3.213 -0.203 1 1 195 . 6 1 1 A 16 16 GLY CA C 16 43.700 44.466 -0.766 1 1 196 . 6 1 1 A 16 16 GLY N N 16 109.500 108.228 1.272 1 1 197 . 6 1 1 A 17 17 PRO HA H 17 3.070 3.192 -0.122 1 1 204 . 6 1 1 A 17 17 PRO C C 17 172.400 174.790 -2.390 1 1 205 . 6 1 1 A 17 17 PRO CA C 17 60.200 61.416 -1.216 1 1 206 . 6 1 1 A 17 17 PRO CB C 17 28.300 28.833 -0.533 1 1 209 . 6 1 1 A 18 18 GLY H H 18 6.650 6.783 -0.133 1 1 210 . 6 1 1 A 18 18 GLY HA2 H 18 3.630 4.015 -0.385 1 1 211 . 6 1 1 A 18 18 GLY HA3 H 18 4.010 4.176 -0.166 1 1 212 . 6 1 1 A 18 18 GLY C C 18 173.200 174.339 -1.139 1 1 213 . 6 1 1 A 18 18 GLY CA C 18 46.200 45.785 0.415 1 1 214 . 6 1 1 A 18 18 GLY N N 18 110.400 109.936 0.464 1 1 215 . 6 1 1 A 19 19 SER H H 19 8.960 9.224 -0.264 1 1 216 . 6 1 1 A 19 19 SER HA H 19 4.200 4.405 -0.205 1 1 219 . 6 1 1 A 19 19 SER C C 19 173.600 175.150 -1.550 1 1 220 . 6 1 1 A 19 19 SER CA C 19 60.600 59.927 0.673 1 1 221 . 6 1 1 A 19 19 SER CB C 19 63.200 63.214 -0.014 1 1 222 . 6 1 1 A 19 19 SER N N 19 115.800 117.676 -1.876 1 1 223 . 6 1 1 A 20 20 ASN H H 20 8.720 8.129 0.591 1 1 224 . 6 1 1 A 20 20 ASN HA H 20 4.560 4.591 -0.031 1 1 229 . 6 1 1 A 20 20 ASN C C 20 175.300 176.112 -0.812 1 1 230 . 6 1 1 A 20 20 ASN CA C 20 53.300 54.538 -1.238 1 1 231 . 6 1 1 A 20 20 ASN CB C 20 37.300 38.452 -1.152 1 1 233 . 6 1 1 A 20 20 ASN N N 20 115.000 119.597 -4.597 1 1 235 . 6 1 1 A 21 21 TYR H H 21 7.040 7.467 -0.427 1 1 236 . 6 1 1 A 21 21 TYR HA H 21 4.290 4.577 -0.287 1 1 243 . 6 1 1 A 21 21 TYR C C 21 175.700 176.291 -0.591 1 1 244 . 6 1 1 A 21 21 TYR CA C 21 58.800 57.961 0.839 1 1 245 . 6 1 1 A 21 21 TYR CB C 21 39.400 38.721 0.679 1 1 250 . 6 1 1 A 21 21 TYR N N 21 119.200 116.658 2.542 1 1 251 . 6 1 1 A 22 22 GLY H H 22 8.450 7.935 0.515 1 1 252 . 6 1 1 A 22 22 GLY HA2 H 22 3.820 4.058 -0.238 1 1 253 . 6 1 1 A 22 22 GLY HA3 H 22 4.090 4.060 0.030 1 1 254 . 6 1 1 A 22 22 GLY C C 22 172.700 172.950 -0.250 1 1 255 . 6 1 1 A 22 22 GLY CA C 22 45.300 44.768 0.532 1 1 256 . 6 1 1 A 22 22 GLY N N 22 107.800 108.559 -0.759 1 1 257 . 6 1 1 A 23 23 VAL H H 23 8.470 8.285 0.185 1 1 258 . 6 1 1 A 23 23 VAL HA H 23 4.320 4.640 -0.320 1 1 266 . 6 1 1 A 23 23 VAL C C 23 178.000 176.647 1.353 1 1 267 . 6 1 1 A 23 23 VAL CA C 23 63.700 60.898 2.802 1 1 268 . 6 1 1 A 23 23 VAL CB C 23 32.700 33.237 -0.537 1 1 271 . 6 1 1 A 23 23 VAL N N 23 120.200 119.244 0.956 1 1 272 . 6 1 1 A 24 24 ILE H H 24 9.120 8.659 0.461 1 1 273 . 6 1 1 A 24 24 ILE HA H 24 4.740 4.602 0.138 1 1 283 . 6 1 1 A 24 24 ILE C C 24 175.300 175.760 -0.460 1 1 284 . 6 1 1 A 24 24 ILE CA C 24 60.500 60.961 -0.461 1 1 285 . 6 1 1 A 24 24 ILE CB C 24 39.900 38.788 1.112 1 1 289 . 6 1 1 A 24 24 ILE N N 24 120.900 124.536 -3.636 1 1 290 . 6 1 1 A 25 25 GLY H H 25 7.770 7.535 0.235 1 1 291 . 6 1 1 A 25 25 GLY HA2 H 25 4.130 4.134 -0.004 1 1 292 . 6 1 1 A 25 25 GLY HA3 H 25 4.310 4.153 0.157 1 1 293 . 6 1 1 A 25 25 GLY C C 25 171.100 171.349 -0.249 1 1 294 . 6 1 1 A 25 25 GLY CA C 25 45.500 45.728 -0.228 1 1 295 . 6 1 1 A 25 25 GLY N N 25 109.200 109.043 0.157 1 1 296 . 6 1 1 A 26 26 THR H H 26 8.440 8.521 -0.081 1 1 297 . 6 1 1 A 26 26 THR HA H 26 5.080 5.336 -0.256 1 1 302 . 6 1 1 A 26 26 THR C C 26 173.000 173.679 -0.679 1 1 303 . 6 1 1 A 26 26 THR CA C 26 61.400 59.730 1.670 1 1 304 . 6 1 1 A 26 26 THR CB C 26 72.200 72.325 -0.125 1 1 306 . 6 1 1 A 26 26 THR N N 26 113.900 111.875 2.025 1 1 307 . 6 1 1 A 27 27 LEU H H 27 9.180 9.218 -0.038 1 1 308 . 6 1 1 A 27 27 LEU HA H 27 4.480 4.974 -0.494 1 1 318 . 6 1 1 A 27 27 LEU C C 27 174.900 175.980 -1.080 1 1 319 . 6 1 1 A 27 27 LEU CA C 27 53.400 53.357 0.043 1 1 320 . 6 1 1 A 27 27 LEU CB C 27 45.000 44.978 0.022 1 1 324 . 6 1 1 A 27 27 LEU N N 27 125.600 123.452 2.148 1 1 325 . 6 1 1 A 28 28 ARG H H 28 9.280 8.410 0.870 1 1 326 . 6 1 1 A 28 28 ARG HA H 28 4.510 4.576 -0.066 1 1 333 . 6 1 1 A 28 28 ARG C C 28 175.300 175.608 -0.308 1 1 334 . 6 1 1 A 28 28 ARG CA C 28 53.300 54.802 -1.502 1 1 335 . 6 1 1 A 28 28 ARG CB C 28 33.100 31.752 1.348 1 1 338 . 6 1 1 A 28 28 ARG N N 28 120.600 121.778 -1.178 1 1 339 . 6 1 1 A 29 29 ASN H H 29 8.360 8.666 -0.306 1 1 340 . 6 1 1 A 29 29 ASN HA H 29 4.070 4.591 -0.521 1 1 345 . 6 1 1 A 29 29 ASN C C 29 176.500 175.586 0.914 1 1 346 . 6 1 1 A 29 29 ASN CA C 29 56.100 53.313 2.787 1 1 347 . 6 1 1 A 29 29 ASN CB C 29 39.300 38.788 0.512 1 1 349 . 6 1 1 A 29 29 ASN N N 29 117.200 119.057 -1.857 1 1 351 . 6 1 1 A 30 30 ASN H H 30 9.290 8.806 0.484 1 1 352 . 6 1 1 A 30 30 ASN HA H 30 4.300 4.308 -0.008 1 1 357 . 6 1 1 A 30 30 ASN C C 30 175.100 174.732 0.368 1 1 358 . 6 1 1 A 30 30 ASN CA C 30 55.500 54.051 1.449 1 1 359 . 6 1 1 A 30 30 ASN CB C 30 37.300 37.594 -0.294 1 1 361 . 6 1 1 A 30 30 ASN N N 30 118.900 118.789 0.111 1 1 363 . 6 1 1 A 31 31 ASP H H 31 8.210 7.885 0.325 1 1 364 . 6 1 1 A 31 31 ASP HA H 31 4.700 4.812 -0.112 1 1 367 . 6 1 1 A 31 31 ASP C C 31 175.300 175.429 -0.129 1 1 368 . 6 1 1 A 31 31 ASP CA C 31 56.500 53.595 2.905 1 1 369 . 6 1 1 A 31 31 ASP CB C 31 41.200 41.194 0.006 1 1 370 . 6 1 1 A 31 31 ASP N N 31 122.300 119.385 2.915 1 1 371 . 6 1 1 A 32 32 LYS H H 32 8.510 8.561 -0.051 1 1 372 . 6 1 1 A 32 32 LYS HA H 32 5.140 4.429 0.711 1 1 381 . 6 1 1 A 32 32 LYS C C 32 176.600 176.495 0.105 1 1 382 . 6 1 1 A 32 32 LYS CA C 32 55.400 56.368 -0.968 1 1 383 . 6 1 1 A 32 32 LYS CB C 32 33.500 32.854 0.646 1 1 387 . 6 1 1 A 32 32 LYS N N 32 121.500 127.273 -5.773 1 1 388 . 6 1 1 A 33 33 VAL H H 33 8.650 8.746 -0.096 1 1 389 . 6 1 1 A 33 33 VAL HA H 33 5.020 4.964 0.056 1 1 397 . 6 1 1 A 33 33 VAL C C 33 174.200 173.623 0.577 1 1 398 . 6 1 1 A 33 33 VAL CA C 33 58.200 58.758 -0.558 1 1 399 . 6 1 1 A 33 33 VAL CB C 33 34.900 35.834 -0.934 1 1 402 . 6 1 1 A 33 33 VAL N N 33 113.500 117.710 -4.210 1 1 403 . 6 1 1 A 34 34 GLU H H 34 8.070 8.876 -0.806 1 1 404 . 6 1 1 A 34 34 GLU HA H 34 4.780 5.095 -0.315 1 1 409 . 6 1 1 A 34 34 GLU C C 34 176.000 175.228 0.772 1 1 410 . 6 1 1 A 34 34 GLU CA C 34 55.000 54.970 0.030 1 1 411 . 6 1 1 A 34 34 GLU CB C 34 31.400 32.141 -0.741 1 1 413 . 6 1 1 A 34 34 GLU N N 34 122.300 122.100 0.200 1 1 414 . 6 1 1 A 35 35 ILE H H 35 8.610 8.927 -0.317 1 1 415 . 6 1 1 A 35 35 ILE HA H 35 4.100 4.432 -0.332 1 1 425 . 6 1 1 A 35 35 ILE C C 35 175.600 175.569 0.031 1 1 426 . 6 1 1 A 35 35 ILE CA C 35 61.200 61.649 -0.449 1 1 427 . 6 1 1 A 35 35 ILE CB C 35 38.800 37.641 1.159 1 1 431 . 6 1 1 A 35 35 ILE N N 35 125.500 127.470 -1.970 1 1 432 . 6 1 1 A 36 36 ILE H H 36 9.450 9.172 0.278 1 1 433 . 6 1 1 A 36 36 ILE HA H 36 3.990 4.146 -0.156 1 1 443 . 6 1 1 A 36 36 ILE C C 36 176.500 175.978 0.522 1 1 444 . 6 1 1 A 36 36 ILE CA C 36 63.100 62.669 0.431 1 1 445 . 6 1 1 A 36 36 ILE CB C 36 38.800 38.252 0.548 1 1 449 . 6 1 1 A 36 36 ILE N N 36 129.500 128.939 0.561 1 1 450 . 6 1 1 A 37 37 LYS H H 37 7.630 7.530 0.100 1 1 451 . 6 1 1 A 37 37 LYS HA H 37 4.670 4.733 -0.063 1 1 460 . 6 1 1 A 37 37 LYS C C 37 173.100 173.627 -0.527 1 1 461 . 6 1 1 A 37 37 LYS CA C 37 55.700 55.823 -0.123 1 1 462 . 6 1 1 A 37 37 LYS CB C 37 34.700 36.108 -1.408 1 1 466 . 6 1 1 A 37 37 LYS N N 37 113.300 117.688 -4.388 1 1 467 . 6 1 1 A 38 38 GLU H H 38 8.800 8.961 -0.161 1 1 468 . 6 1 1 A 38 38 GLU HA H 38 5.360 5.286 0.074 1 1 473 . 6 1 1 A 38 38 GLU C C 38 175.300 175.250 0.050 1 1 474 . 6 1 1 A 38 38 GLU CA C 38 55.400 54.887 0.513 1 1 475 . 6 1 1 A 38 38 GLU CB C 38 32.500 32.137 0.363 1 1 477 . 6 1 1 A 38 38 GLU N N 38 122.000 125.784 -3.784 1 1 478 . 6 1 1 A 39 39 VAL H H 39 9.550 8.991 0.559 1 1 479 . 6 1 1 A 39 39 VAL HA H 39 4.360 4.527 -0.167 1 1 487 . 6 1 1 A 39 39 VAL C C 39 174.500 176.034 -1.534 1 1 488 . 6 1 1 A 39 39 VAL CA C 39 61.600 61.107 0.493 1 1 489 . 6 1 1 A 39 39 VAL CB C 39 34.400 34.382 0.018 1 1 492 . 6 1 1 A 39 39 VAL N N 39 126.000 126.666 -0.666 1 1 493 . 6 1 1 A 40 40 ASP H H 40 8.960 9.544 -0.584 1 1 494 . 6 1 1 A 40 40 ASP HA H 40 4.340 4.320 0.020 1 1 497 . 6 1 1 A 40 40 ASP C C 40 175.800 175.380 0.420 1 1 498 . 6 1 1 A 40 40 ASP CA C 40 55.900 55.179 0.721 1 1 499 . 6 1 1 A 40 40 ASP CB C 40 40.700 39.808 0.892 1 1 500 . 6 1 1 A 40 40 ASP N N 40 125.700 127.638 -1.938 1 1 501 . 6 1 1 A 41 41 GLY H H 41 8.870 8.294 0.576 1 1 502 . 6 1 1 A 41 41 GLY HA2 H 41 3.510 3.660 -0.150 1 1 503 . 6 1 1 A 41 41 GLY HA3 H 41 4.190 3.711 0.479 1 1 504 . 6 1 1 A 41 41 GLY C C 41 173.900 173.938 -0.038 1 1 505 . 6 1 1 A 41 41 GLY CA C 41 45.700 45.256 0.444 1 1 506 . 6 1 1 A 41 41 GLY N N 41 105.500 103.604 1.896 1 1 507 . 6 1 1 A 42 42 TRP H H 42 8.580 8.191 0.389 1 1 508 . 6 1 1 A 42 42 TRP HA H 42 4.700 4.595 0.105 1 1 517 . 6 1 1 A 42 42 TRP C C 42 175.300 175.832 -0.532 1 1 518 . 6 1 1 A 42 42 TRP CA C 42 56.300 57.411 -1.111 1 1 519 . 6 1 1 A 42 42 TRP CB C 42 31.300 30.661 0.639 1 1 525 . 6 1 1 A 42 42 TRP N N 42 122.900 120.889 2.011 1 1 527 . 6 1 1 A 43 43 TYR H H 43 9.400 8.718 0.682 1 1 528 . 6 1 1 A 43 43 TYR HA H 43 5.630 5.259 0.371 1 1 535 . 6 1 1 A 43 43 TYR C C 43 175.800 175.336 0.464 1 1 536 . 6 1 1 A 43 43 TYR CA C 43 55.900 57.439 -1.539 1 1 537 . 6 1 1 A 43 43 TYR CB C 43 40.200 40.179 0.021 1 1 542 . 6 1 1 A 43 43 TYR N N 43 119.000 122.198 -3.198 1 1 543 . 6 1 1 A 44 44 GLU H H 44 9.110 9.379 -0.269 1 1 544 . 6 1 1 A 44 44 GLU HA H 44 4.040 4.418 -0.378 1 1 549 . 6 1 1 A 44 44 GLU C C 44 175.500 176.398 -0.898 1 1 550 . 6 1 1 A 44 44 GLU CA C 44 55.500 55.975 -0.475 1 1 551 . 6 1 1 A 44 44 GLU CB C 44 31.200 30.836 0.364 1 1 553 . 6 1 1 A 44 44 GLU N N 44 125.600 124.834 0.766 1 1 554 . 6 1 1 A 45 45 ILE H H 45 9.300 8.876 0.424 1 1 555 . 6 1 1 A 45 45 ILE HA H 45 5.550 5.273 0.277 1 1 565 . 6 1 1 A 45 45 ILE C C 45 173.700 173.428 0.272 1 1 566 . 6 1 1 A 45 45 ILE CA C 45 58.300 58.543 -0.243 1 1 567 . 6 1 1 A 45 45 ILE CB C 45 43.200 42.272 0.928 1 1 571 . 6 1 1 A 45 45 ILE N N 45 122.700 120.998 1.702 1 1 572 . 6 1 1 A 46 46 ARG H H 46 8.730 8.465 0.265 1 1 573 . 6 1 1 A 46 46 ARG HA H 46 5.310 5.195 0.115 1 1 580 . 6 1 1 A 46 46 ARG C C 46 176.400 175.023 1.377 1 1 581 . 6 1 1 A 46 46 ARG CA C 46 54.400 54.438 -0.038 1 1 582 . 6 1 1 A 46 46 ARG CB C 46 33.600 33.117 0.483 1 1 585 . 6 1 1 A 46 46 ARG N N 46 118.900 122.819 -3.919 1 1 586 . 6 1 1 A 47 47 PHE H H 47 9.080 9.416 -0.336 1 1 587 . 6 1 1 A 47 47 PHE HA H 47 4.850 4.764 0.086 1 1 595 . 6 1 1 A 47 47 PHE C C 47 174.500 174.691 -0.191 1 1 596 . 6 1 1 A 47 47 PHE CA C 47 57.300 57.833 -0.533 1 1 597 . 6 1 1 A 47 47 PHE CB C 47 42.500 42.768 -0.268 1 1 603 . 6 1 1 A 47 47 PHE N N 47 126.500 126.678 -0.178 1 1 604 . 6 1 1 A 48 48 ASN H H 48 9.140 8.523 0.617 1 1 605 . 6 1 1 A 48 48 ASN HA H 48 4.080 4.059 0.021 1 1 610 . 6 1 1 A 48 48 ASN C C 48 175.100 174.695 0.405 1 1 611 . 6 1 1 A 48 48 ASN CA C 48 53.500 53.748 -0.248 1 1 612 . 6 1 1 A 48 48 ASN CB C 48 37.100 37.269 -0.169 1 1 614 . 6 1 1 A 48 48 ASN N N 48 128.500 124.612 3.888 1 1 616 . 6 1 1 A 49 49 GLY H H 49 8.600 8.518 0.082 1 1 617 . 6 1 1 A 49 49 GLY HA2 H 49 3.510 3.800 -0.290 1 1 618 . 6 1 1 A 49 49 GLY HA3 H 49 4.110 3.801 0.309 1 1 619 . 6 1 1 A 49 49 GLY C C 49 173.600 173.498 0.102 1 1 620 . 6 1 1 A 49 49 GLY CA C 49 45.600 45.727 -0.127 1 1 621 . 6 1 1 A 49 49 GLY N N 49 103.100 103.655 -0.555 1 1 622 . 6 1 1 A 50 50 LYS H H 50 7.850 7.511 0.339 1 1 623 . 6 1 1 A 50 50 LYS HA H 50 4.620 4.899 -0.279 1 1 632 . 6 1 1 A 50 50 LYS C C 50 174.600 174.833 -0.233 1 1 633 . 6 1 1 A 50 50 LYS CA C 50 54.900 54.254 0.646 1 1 634 . 6 1 1 A 50 50 LYS CB C 50 35.100 35.516 -0.416 1 1 638 . 6 1 1 A 50 50 LYS N N 50 121.700 115.117 6.583 1 1 639 . 6 1 1 A 51 51 VAL H H 51 8.120 8.385 -0.265 1 1 640 . 6 1 1 A 51 51 VAL HA H 51 5.100 4.502 0.598 1 1 648 . 6 1 1 A 51 51 VAL C C 51 176.100 176.220 -0.120 1 1 649 . 6 1 1 A 51 51 VAL CA C 51 60.700 61.118 -0.418 1 1 650 . 6 1 1 A 51 51 VAL CB C 51 33.400 32.763 0.637 1 1 653 . 6 1 1 A 51 51 VAL N N 51 122.100 122.817 -0.717 1 1 654 . 6 1 1 A 52 52 GLY H H 52 8.430 8.219 0.211 1 1 655 . 6 1 1 A 52 52 GLY HA2 H 52 3.760 4.319 -0.559 1 1 656 . 6 1 1 A 52 52 GLY HA3 H 52 4.230 4.338 -0.108 1 1 657 . 6 1 1 A 52 52 GLY C C 52 170.300 171.122 -0.822 1 1 658 . 6 1 1 A 52 52 GLY CA C 52 45.600 45.990 -0.390 1 1 659 . 6 1 1 A 52 52 GLY N N 52 113.100 111.723 1.377 1 1 660 . 6 1 1 A 53 53 TYR H H 53 9.260 8.842 0.418 1 1 661 . 6 1 1 A 53 53 TYR HA H 53 5.990 5.853 0.137 1 1 668 . 6 1 1 A 53 53 TYR C C 53 175.700 175.271 0.429 1 1 669 . 6 1 1 A 53 53 TYR CA C 53 56.800 56.775 0.025 1 1 670 . 6 1 1 A 53 53 TYR CB C 53 42.800 43.400 -0.600 1 1 675 . 6 1 1 A 53 53 TYR N N 53 118.000 119.141 -1.141 1 1 676 . 6 1 1 A 54 54 ALA H H 54 9.210 8.519 0.691 1 1 677 . 6 1 1 A 54 54 ALA HA H 54 5.280 5.359 -0.079 1 1 681 . 6 1 1 A 54 54 ALA C C 54 175.800 175.622 0.178 1 1 682 . 6 1 1 A 54 54 ALA CA C 54 50.900 51.042 -0.142 1 1 683 . 6 1 1 A 54 54 ALA CB C 54 23.800 23.508 0.292 1 1 684 . 6 1 1 A 54 54 ALA N N 54 122.000 123.050 -1.050 1 1 685 . 6 1 1 A 55 55 SER H H 55 8.620 8.765 -0.145 1 1 686 . 6 1 1 A 55 55 SER HA H 55 3.270 3.773 -0.503 1 1 689 . 6 1 1 A 55 55 SER C C 55 175.400 175.725 -0.325 1 1 690 . 6 1 1 A 55 55 SER CA C 55 59.100 58.176 0.924 1 1 691 . 6 1 1 A 55 55 SER CB C 55 63.200 63.185 0.015 1 1 692 . 6 1 1 A 55 55 SER N N 55 117.400 115.133 2.267 1 1 693 . 6 1 1 A 56 56 LYS H H 56 7.630 8.411 -0.781 1 1 694 . 6 1 1 A 56 56 LYS HA H 56 3.750 4.222 -0.472 1 1 703 . 6 1 1 A 56 56 LYS C C 56 177.100 178.835 -1.735 1 1 704 . 6 1 1 A 56 56 LYS CA C 56 58.600 59.069 -0.469 1 1 705 . 6 1 1 A 56 56 LYS CB C 56 32.300 32.055 0.245 1 1 709 . 6 1 1 A 56 56 LYS N N 56 124.500 125.118 -0.618 1 1 710 . 6 1 1 A 57 57 SER H H 57 7.670 7.554 0.116 1 1 711 . 6 1 1 A 57 57 SER HA H 57 3.930 4.097 -0.167 1 1 714 . 6 1 1 A 57 57 SER C C 57 174.100 175.707 -1.607 1 1 715 . 6 1 1 A 57 57 SER CA C 57 60.700 61.176 -0.476 1 1 716 . 6 1 1 A 57 57 SER CB C 57 62.800 62.791 0.009 1 1 717 . 6 1 1 A 57 57 SER N N 57 112.000 114.963 -2.963 1 1 718 . 6 1 1 A 58 58 TYR H H 58 6.990 7.761 -0.771 1 1 719 . 6 1 1 A 58 58 TYR HA H 58 4.800 4.628 0.172 1 1 726 . 6 1 1 A 58 58 TYR C C 58 173.300 174.814 -1.514 1 1 727 . 6 1 1 A 58 58 TYR CA C 58 57.400 58.967 -1.567 1 1 728 . 6 1 1 A 58 58 TYR CB C 58 40.500 39.081 1.419 1 1 733 . 6 1 1 A 58 58 TYR N N 58 116.100 117.517 -1.417 1 1 734 . 6 1 1 A 59 59 ILE H H 59 7.300 7.365 -0.065 1 1 735 . 6 1 1 A 59 59 ILE HA H 59 4.790 4.718 0.072 1 1 745 . 6 1 1 A 59 59 ILE C C 59 174.500 174.356 0.144 1 1 746 . 6 1 1 A 59 59 ILE CA C 59 59.300 60.140 -0.840 1 1 747 . 6 1 1 A 59 59 ILE CB C 59 40.800 39.654 1.146 1 1 751 . 6 1 1 A 59 59 ILE N N 59 119.000 120.570 -1.570 1 1 752 . 6 1 1 A 60 60 THR H H 60 8.980 8.787 0.193 1 1 753 . 6 1 1 A 60 60 THR HA H 60 4.580 4.851 -0.271 1 1 758 . 6 1 1 A 60 60 THR C C 60 173.800 173.325 0.475 1 1 759 . 6 1 1 A 60 60 THR CA C 60 60.800 61.658 -0.858 1 1 760 . 6 1 1 A 60 60 THR CB C 60 71.100 70.761 0.339 1 1 762 . 6 1 1 A 60 60 THR N N 60 123.600 123.871 -0.271 1 1 763 . 6 1 1 A 61 61 ILE H H 61 8.680 8.627 0.053 1 1 764 . 6 1 1 A 61 61 ILE HA H 61 4.180 4.059 0.121 1 1 774 . 6 1 1 A 61 61 ILE C C 61 176.400 176.204 0.196 1 1 775 . 6 1 1 A 61 61 ILE CA C 61 61.800 60.728 1.072 1 1 776 . 6 1 1 A 61 61 ILE CB C 61 37.900 37.650 0.250 1 1 780 . 6 1 1 A 61 61 ILE N N 61 127.200 127.883 -0.683 1 1 781 . 6 1 1 A 62 62 VAL H H 62 8.370 8.591 -0.221 1 1 782 . 6 1 1 A 62 62 VAL HA H 62 4.140 3.844 0.296 1 1 790 . 6 1 1 A 62 62 VAL C C 62 175.200 175.317 -0.117 1 1 791 . 6 1 1 A 62 62 VAL CA C 62 61.800 63.200 -1.400 1 1 792 . 6 1 1 A 62 62 VAL CB C 62 33.200 32.092 1.108 1 1 795 . 6 1 1 A 62 62 VAL N N 62 126.600 128.067 -1.467 1 1 796 . 6 1 1 A 63 63 ASN H H 63 8.590 8.650 -0.060 1 1 797 . 6 1 1 A 63 63 ASN HA H 63 4.730 4.626 0.104 1 1 802 . 6 1 1 A 63 63 ASN C C 63 175.200 175.525 -0.325 1 1 803 . 6 1 1 A 63 63 ASN CA C 63 53.200 53.640 -0.440 1 1 804 . 6 1 1 A 63 63 ASN CB C 63 39.100 38.311 0.789 1 1 806 . 6 1 1 A 63 63 ASN N N 63 123.500 125.634 -2.134 1 1 808 . 6 1 1 A 64 64 GLU H H 64 8.620 8.800 -0.180 1 1 809 . 6 1 1 A 64 64 GLU HA H 64 4.250 4.030 0.220 1 1 814 . 6 1 1 A 64 64 GLU C C 64 177.000 176.716 0.284 1 1 815 . 6 1 1 A 64 64 GLU CA C 64 57.100 59.164 -2.064 1 1 816 . 6 1 1 A 64 64 GLU CB C 64 30.400 30.013 0.387 1 1 818 . 6 1 1 A 64 64 GLU N N 64 122.700 124.856 -2.156 1 1 819 . 6 1 1 A 65 65 GLY H H 65 8.490 8.323 0.167 1 1 820 . 6 1 1 A 65 65 GLY HA2 H 65 3.980 4.032 -0.052 1 1 821 . 6 1 1 A 65 65 GLY HA3 H 65 3.980 4.043 -0.063 1 1 822 . 6 1 1 A 65 65 GLY C C 65 174.300 175.048 -0.748 1 1 823 . 6 1 1 A 65 65 GLY CA C 65 45.500 45.540 -0.040 1 1 824 . 6 1 1 A 65 65 GLY N N 65 109.600 108.406 1.194 1 1 825 . 6 1 1 A 66 66 SER H H 66 8.180 8.874 -0.694 1 1 826 . 6 1 1 A 66 66 SER HA H 66 4.450 4.495 -0.045 1 1 829 . 6 1 1 A 66 66 SER C C 66 174.900 174.794 0.106 1 1 830 . 6 1 1 A 66 66 SER CA C 66 58.300 60.252 -1.952 1 1 831 . 6 1 1 A 66 66 SER CB C 66 63.700 63.524 0.176 1 1 832 . 6 1 1 A 66 66 SER N N 66 115.500 119.357 -3.857 1 1 833 . 6 1 1 A 67 67 LEU H H 67 8.300 7.731 0.569 1 1 834 . 6 1 1 A 67 67 LEU HA H 67 4.300 4.587 -0.287 1 1 844 . 6 1 1 A 67 67 LEU C C 67 177.500 177.036 0.464 1 1 845 . 6 1 1 A 67 67 LEU CA C 67 55.400 54.683 0.717 1 1 846 . 6 1 1 A 67 67 LEU CB C 67 42.200 42.093 0.107 1 1 850 . 6 1 1 A 67 67 LEU N N 67 123.800 116.296 7.504 1 1 851 . 6 1 1 A 68 68 GLU H H 68 8.270 8.146 0.124 1 1 852 . 6 1 1 A 68 68 GLU HA H 68 4.160 4.500 -0.340 1 1 857 . 6 1 1 A 68 68 GLU CA C 68 56.900 57.266 -0.366 1 1 858 . 6 1 1 A 68 68 GLU CB C 68 30.100 30.522 -0.422 1 1 860 . 6 1 1 A 68 68 GLU N N 68 120.700 121.594 -0.894 1 1 861 . 6 1 1 A 69 69 HIS C C 69 173.900 174.191 -0.291 1 1 862 . 6 1 1 A 70 70 HIS H H 70 8.140 8.794 -0.654 1 1 863 . 6 1 1 A 70 70 HIS CA C 70 57.200 57.590 -0.390 1 1 864 . 6 1 1 A 70 70 HIS CB C 70 30.200 29.305 0.895 1 1 14 . 7 1 1 A 2 2 GLN H H 2 9.330 8.823 0.507 1 1 15 . 7 1 1 A 2 2 GLN HA H 2 5.000 5.144 -0.144 1 1 22 . 7 1 1 A 2 2 GLN C C 2 174.500 175.872 -1.372 1 1 23 . 7 1 1 A 2 2 GLN CA C 2 55.500 54.221 1.279 1 1 24 . 7 1 1 A 2 2 GLN CB C 2 31.700 31.739 -0.039 1 1 26 . 7 1 1 A 2 2 GLN N N 2 125.400 124.430 0.970 1 1 28 . 7 1 1 A 3 3 GLY H H 3 8.860 8.757 0.103 1 1 29 . 7 1 1 A 3 3 GLY HA2 H 3 3.070 4.064 -0.994 1 1 30 . 7 1 1 A 3 3 GLY HA3 H 3 5.250 4.077 1.173 1 1 31 . 7 1 1 A 3 3 GLY C C 3 171.800 172.662 -0.862 1 1 32 . 7 1 1 A 3 3 GLY CA C 3 44.300 44.345 -0.045 1 1 33 . 7 1 1 A 3 3 GLY N N 3 108.200 111.746 -3.546 1 1 34 . 7 1 1 A 4 4 VAL H H 4 9.060 8.517 0.543 1 1 35 . 7 1 1 A 4 4 VAL HA H 4 5.080 4.833 0.247 1 1 43 . 7 1 1 A 4 4 VAL C C 4 174.500 174.903 -0.403 1 1 44 . 7 1 1 A 4 4 VAL CA C 4 59.800 60.630 -0.830 1 1 45 . 7 1 1 A 4 4 VAL CB C 4 35.300 34.725 0.575 1 1 48 . 7 1 1 A 4 4 VAL N N 4 120.200 121.237 -1.037 1 1 49 . 7 1 1 A 5 5 VAL H H 5 8.750 8.739 0.011 1 1 50 . 7 1 1 A 5 5 VAL HA H 5 4.190 4.544 -0.354 1 1 58 . 7 1 1 A 5 5 VAL C C 5 175.800 174.227 1.573 1 1 59 . 7 1 1 A 5 5 VAL CA C 5 62.800 61.391 1.409 1 1 60 . 7 1 1 A 5 5 VAL CB C 5 31.900 32.325 -0.425 1 1 63 . 7 1 1 A 5 5 VAL N N 5 128.600 128.869 -0.269 1 1 64 . 7 1 1 A 6 6 LYS H H 6 8.830 8.697 0.133 1 1 65 . 7 1 1 A 6 6 LYS HA H 6 5.250 5.143 0.107 1 1 74 . 7 1 1 A 6 6 LYS C C 6 174.800 175.231 -0.431 1 1 75 . 7 1 1 A 6 6 LYS CA C 6 54.300 54.859 -0.559 1 1 76 . 7 1 1 A 6 6 LYS CB C 6 33.200 35.168 -1.968 1 1 80 . 7 1 1 A 6 6 LYS N N 6 131.400 129.834 1.566 1 1 81 . 7 1 1 A 7 7 VAL H H 7 8.270 8.530 -0.260 1 1 82 . 7 1 1 A 7 7 VAL HA H 7 4.640 4.883 -0.243 1 1 90 . 7 1 1 A 7 7 VAL C C 7 173.400 175.994 -2.594 1 1 91 . 7 1 1 A 7 7 VAL CA C 7 59.700 59.673 0.027 1 1 92 . 7 1 1 A 7 7 VAL CB C 7 35.400 35.347 0.053 1 1 95 . 7 1 1 A 7 7 VAL N N 7 119.000 125.003 -6.003 1 1 96 . 7 1 1 A 8 8 ASN H H 8 8.560 8.846 -0.286 1 1 97 . 7 1 1 A 8 8 ASN HA H 8 4.690 4.426 0.264 1 1 102 . 7 1 1 A 8 8 ASN C C 8 175.600 176.520 -0.920 1 1 103 . 7 1 1 A 8 8 ASN CA C 8 54.500 56.377 -1.877 1 1 104 . 7 1 1 A 8 8 ASN CB C 8 38.700 38.391 0.309 1 1 106 . 7 1 1 A 8 8 ASN N N 8 120.700 125.999 -5.299 1 1 108 . 7 1 1 A 9 9 SER H H 9 7.630 8.323 -0.693 1 1 109 . 7 1 1 A 9 9 SER HA H 9 4.450 4.805 -0.355 1 1 112 . 7 1 1 A 9 9 SER C C 9 172.800 173.129 -0.329 1 1 113 . 7 1 1 A 9 9 SER CA C 9 58.100 59.921 -1.821 1 1 114 . 7 1 1 A 9 9 SER CB C 9 63.500 65.227 -1.727 1 1 115 . 7 1 1 A 9 9 SER N N 9 112.800 112.610 0.190 1 1 116 . 7 1 1 A 10 10 ALA H H 10 8.330 7.545 0.785 1 1 117 . 7 1 1 A 10 10 ALA HA H 10 4.530 4.747 -0.217 1 1 121 . 7 1 1 A 10 10 ALA C C 10 175.300 174.505 0.795 1 1 122 . 7 1 1 A 10 10 ALA CA C 10 52.400 51.603 0.797 1 1 123 . 7 1 1 A 10 10 ALA CB C 10 20.900 22.911 -2.011 1 1 124 . 7 1 1 A 10 10 ALA N N 10 123.900 119.743 4.157 1 1 125 . 7 1 1 A 11 11 LEU H H 11 8.930 8.762 0.168 1 1 126 . 7 1 1 A 11 11 LEU HA H 11 4.530 4.977 -0.447 1 1 136 . 7 1 1 A 11 11 LEU C C 11 175.300 175.891 -0.591 1 1 137 . 7 1 1 A 11 11 LEU CA C 11 52.600 53.192 -0.592 1 1 138 . 7 1 1 A 11 11 LEU CB C 11 45.900 45.081 0.819 1 1 142 . 7 1 1 A 11 11 LEU N N 11 123.600 123.138 0.462 1 1 143 . 7 1 1 A 12 12 ASN H H 12 8.800 8.606 0.194 1 1 144 . 7 1 1 A 12 12 ASN HA H 12 5.030 4.833 0.197 1 1 149 . 7 1 1 A 12 12 ASN C C 12 174.000 174.753 -0.753 1 1 150 . 7 1 1 A 12 12 ASN CA C 12 53.800 53.487 0.313 1 1 151 . 7 1 1 A 12 12 ASN CB C 12 39.500 39.077 0.423 1 1 153 . 7 1 1 A 12 12 ASN N N 12 123.600 125.074 -1.474 1 1 155 . 7 1 1 A 13 13 MET H H 13 8.630 8.792 -0.162 1 1 156 . 7 1 1 A 13 13 MET HA H 13 4.970 5.208 -0.238 1 1 164 . 7 1 1 A 13 13 MET C C 13 176.000 175.349 0.651 1 1 165 . 7 1 1 A 13 13 MET CA C 13 54.900 54.102 0.798 1 1 166 . 7 1 1 A 13 13 MET CB C 13 35.200 35.529 -0.329 1 1 169 . 7 1 1 A 13 13 MET N N 13 122.600 124.101 -1.501 1 1 170 . 7 1 1 A 14 14 ARG H H 14 9.730 8.517 1.213 1 1 171 . 7 1 1 A 14 14 ARG HA H 14 5.760 4.764 0.996 1 1 178 . 7 1 1 A 14 14 ARG C C 14 177.700 176.670 1.030 1 1 179 . 7 1 1 A 14 14 ARG CA C 14 54.900 54.525 0.375 1 1 180 . 7 1 1 A 14 14 ARG CB C 14 34.600 32.657 1.943 1 1 183 . 7 1 1 A 14 14 ARG N N 14 125.200 125.670 -0.470 1 1 184 . 7 1 1 A 15 15 SER H H 15 9.010 8.949 0.061 1 1 185 . 7 1 1 A 15 15 SER HA H 15 4.580 4.258 0.322 1 1 188 . 7 1 1 A 15 15 SER C C 15 173.100 174.904 -1.804 1 1 189 . 7 1 1 A 15 15 SER CA C 15 59.100 61.328 -2.228 1 1 190 . 7 1 1 A 15 15 SER CB C 15 63.600 63.394 0.206 1 1 191 . 7 1 1 A 15 15 SER N N 15 113.600 117.453 -3.853 1 1 192 . 7 1 1 A 16 16 GLY H H 16 6.940 7.620 -0.680 1 1 193 . 7 1 1 A 16 16 GLY HA2 H 16 1.050 1.991 -0.941 1 1 194 . 7 1 1 A 16 16 GLY HA3 H 16 3.010 3.532 -0.522 1 1 195 . 7 1 1 A 16 16 GLY CA C 16 43.700 43.054 0.646 1 1 196 . 7 1 1 A 16 16 GLY N N 16 109.500 109.225 0.275 1 1 197 . 7 1 1 A 17 17 PRO HA H 17 3.070 3.911 -0.841 1 1 204 . 7 1 1 A 17 17 PRO C C 17 172.400 174.452 -2.052 1 1 205 . 7 1 1 A 17 17 PRO CA C 17 60.200 61.966 -1.766 1 1 206 . 7 1 1 A 17 17 PRO CB C 17 28.300 28.855 -0.555 1 1 209 . 7 1 1 A 18 18 GLY H H 18 6.650 7.227 -0.577 1 1 210 . 7 1 1 A 18 18 GLY HA2 H 18 3.630 3.709 -0.079 1 1 211 . 7 1 1 A 18 18 GLY HA3 H 18 4.010 3.988 0.022 1 1 212 . 7 1 1 A 18 18 GLY C C 18 173.200 174.710 -1.510 1 1 213 . 7 1 1 A 18 18 GLY CA C 18 46.200 45.609 0.591 1 1 214 . 7 1 1 A 18 18 GLY N N 18 110.400 108.884 1.516 1 1 215 . 7 1 1 A 19 19 SER H H 19 8.960 9.120 -0.160 1 1 216 . 7 1 1 A 19 19 SER HA H 19 4.200 4.228 -0.028 1 1 219 . 7 1 1 A 19 19 SER C C 19 173.600 175.640 -2.040 1 1 220 . 7 1 1 A 19 19 SER CA C 19 60.600 60.265 0.335 1 1 221 . 7 1 1 A 19 19 SER CB C 19 63.200 62.788 0.412 1 1 222 . 7 1 1 A 19 19 SER N N 19 115.800 116.959 -1.159 1 1 223 . 7 1 1 A 20 20 ASN H H 20 8.720 8.276 0.444 1 1 224 . 7 1 1 A 20 20 ASN HA H 20 4.560 4.484 0.076 1 1 229 . 7 1 1 A 20 20 ASN C C 20 175.300 175.853 -0.553 1 1 230 . 7 1 1 A 20 20 ASN CA C 20 53.300 55.070 -1.770 1 1 231 . 7 1 1 A 20 20 ASN CB C 20 37.300 38.159 -0.859 1 1 233 . 7 1 1 A 20 20 ASN N N 20 115.000 119.566 -4.566 1 1 235 . 7 1 1 A 21 21 TYR H H 21 7.040 7.735 -0.695 1 1 236 . 7 1 1 A 21 21 TYR HA H 21 4.290 4.605 -0.315 1 1 243 . 7 1 1 A 21 21 TYR C C 21 175.700 176.208 -0.508 1 1 244 . 7 1 1 A 21 21 TYR CA C 21 58.800 57.934 0.866 1 1 245 . 7 1 1 A 21 21 TYR CB C 21 39.400 38.932 0.468 1 1 250 . 7 1 1 A 21 21 TYR N N 21 119.200 115.937 3.263 1 1 251 . 7 1 1 A 22 22 GLY H H 22 8.450 7.816 0.634 1 1 252 . 7 1 1 A 22 22 GLY HA2 H 22 3.820 4.044 -0.224 1 1 253 . 7 1 1 A 22 22 GLY HA3 H 22 4.090 4.045 0.045 1 1 254 . 7 1 1 A 22 22 GLY C C 22 172.700 173.150 -0.450 1 1 255 . 7 1 1 A 22 22 GLY CA C 22 45.300 44.984 0.316 1 1 256 . 7 1 1 A 22 22 GLY N N 22 107.800 108.435 -0.635 1 1 257 . 7 1 1 A 23 23 VAL H H 23 8.470 8.301 0.169 1 1 258 . 7 1 1 A 23 23 VAL HA H 23 4.320 5.004 -0.684 1 1 266 . 7 1 1 A 23 23 VAL C C 23 178.000 176.704 1.296 1 1 267 . 7 1 1 A 23 23 VAL CA C 23 63.700 60.595 3.105 1 1 268 . 7 1 1 A 23 23 VAL CB C 23 32.700 34.251 -1.551 1 1 271 . 7 1 1 A 23 23 VAL N N 23 120.200 119.901 0.299 1 1 272 . 7 1 1 A 24 24 ILE H H 24 9.120 8.618 0.502 1 1 273 . 7 1 1 A 24 24 ILE HA H 24 4.740 4.634 0.106 1 1 283 . 7 1 1 A 24 24 ILE C C 24 175.300 175.704 -0.404 1 1 284 . 7 1 1 A 24 24 ILE CA C 24 60.500 60.868 -0.368 1 1 285 . 7 1 1 A 24 24 ILE CB C 24 39.900 38.902 0.998 1 1 289 . 7 1 1 A 24 24 ILE N N 24 120.900 124.686 -3.786 1 1 290 . 7 1 1 A 25 25 GLY H H 25 7.770 7.538 0.232 1 1 291 . 7 1 1 A 25 25 GLY HA2 H 25 4.130 4.110 0.020 1 1 292 . 7 1 1 A 25 25 GLY HA3 H 25 4.310 4.125 0.185 1 1 293 . 7 1 1 A 25 25 GLY C C 25 171.100 171.357 -0.257 1 1 294 . 7 1 1 A 25 25 GLY CA C 25 45.500 45.801 -0.301 1 1 295 . 7 1 1 A 25 25 GLY N N 25 109.200 109.153 0.047 1 1 296 . 7 1 1 A 26 26 THR H H 26 8.440 8.482 -0.042 1 1 297 . 7 1 1 A 26 26 THR HA H 26 5.080 5.310 -0.230 1 1 302 . 7 1 1 A 26 26 THR C C 26 173.000 173.496 -0.496 1 1 303 . 7 1 1 A 26 26 THR CA C 26 61.400 59.670 1.730 1 1 304 . 7 1 1 A 26 26 THR CB C 26 72.200 72.017 0.183 1 1 306 . 7 1 1 A 26 26 THR N N 26 113.900 111.763 2.137 1 1 307 . 7 1 1 A 27 27 LEU H H 27 9.180 9.058 0.122 1 1 308 . 7 1 1 A 27 27 LEU HA H 27 4.480 4.986 -0.506 1 1 318 . 7 1 1 A 27 27 LEU C C 27 174.900 174.852 0.048 1 1 319 . 7 1 1 A 27 27 LEU CA C 27 53.400 53.458 -0.058 1 1 320 . 7 1 1 A 27 27 LEU CB C 27 45.000 45.273 -0.273 1 1 324 . 7 1 1 A 27 27 LEU N N 27 125.600 123.040 2.560 1 1 325 . 7 1 1 A 28 28 ARG H H 28 9.280 8.667 0.613 1 1 326 . 7 1 1 A 28 28 ARG HA H 28 4.510 5.042 -0.532 1 1 333 . 7 1 1 A 28 28 ARG C C 28 175.300 175.651 -0.351 1 1 334 . 7 1 1 A 28 28 ARG CA C 28 53.300 53.985 -0.685 1 1 335 . 7 1 1 A 28 28 ARG CB C 28 33.100 33.877 -0.777 1 1 338 . 7 1 1 A 28 28 ARG N N 28 120.600 122.716 -2.116 1 1 339 . 7 1 1 A 29 29 ASN H H 29 8.360 8.716 -0.356 1 1 340 . 7 1 1 A 29 29 ASN HA H 29 4.070 4.628 -0.558 1 1 345 . 7 1 1 A 29 29 ASN C C 29 176.500 175.110 1.390 1 1 346 . 7 1 1 A 29 29 ASN CA C 29 56.100 53.664 2.436 1 1 347 . 7 1 1 A 29 29 ASN CB C 29 39.300 38.630 0.670 1 1 349 . 7 1 1 A 29 29 ASN N N 29 117.200 123.771 -6.571 1 1 351 . 7 1 1 A 30 30 ASN H H 30 9.290 8.884 0.406 1 1 352 . 7 1 1 A 30 30 ASN HA H 30 4.300 4.273 0.027 1 1 357 . 7 1 1 A 30 30 ASN C C 30 175.100 173.282 1.818 1 1 358 . 7 1 1 A 30 30 ASN CA C 30 55.500 54.421 1.079 1 1 359 . 7 1 1 A 30 30 ASN CB C 30 37.300 37.324 -0.024 1 1 361 . 7 1 1 A 30 30 ASN N N 30 118.900 114.945 3.955 1 1 363 . 7 1 1 A 31 31 ASP H H 31 8.210 7.503 0.707 1 1 364 . 7 1 1 A 31 31 ASP HA H 31 4.700 4.858 -0.158 1 1 367 . 7 1 1 A 31 31 ASP C C 31 175.300 175.305 -0.005 1 1 368 . 7 1 1 A 31 31 ASP CA C 31 56.500 53.560 2.940 1 1 369 . 7 1 1 A 31 31 ASP CB C 31 41.200 41.799 -0.599 1 1 370 . 7 1 1 A 31 31 ASP N N 31 122.300 118.951 3.349 1 1 371 . 7 1 1 A 32 32 LYS H H 32 8.510 8.537 -0.027 1 1 372 . 7 1 1 A 32 32 LYS HA H 32 5.140 4.428 0.712 1 1 381 . 7 1 1 A 32 32 LYS C C 32 176.600 176.585 0.015 1 1 382 . 7 1 1 A 32 32 LYS CA C 32 55.400 56.534 -1.134 1 1 383 . 7 1 1 A 32 32 LYS CB C 32 33.500 32.893 0.607 1 1 387 . 7 1 1 A 32 32 LYS N N 32 121.500 127.152 -5.652 1 1 388 . 7 1 1 A 33 33 VAL H H 33 8.650 8.639 0.011 1 1 389 . 7 1 1 A 33 33 VAL HA H 33 5.020 4.960 0.060 1 1 397 . 7 1 1 A 33 33 VAL C C 33 174.200 173.410 0.790 1 1 398 . 7 1 1 A 33 33 VAL CA C 33 58.200 58.794 -0.594 1 1 399 . 7 1 1 A 33 33 VAL CB C 33 34.900 35.895 -0.995 1 1 402 . 7 1 1 A 33 33 VAL N N 33 113.500 117.785 -4.285 1 1 403 . 7 1 1 A 34 34 GLU H H 34 8.070 9.007 -0.937 1 1 404 . 7 1 1 A 34 34 GLU HA H 34 4.780 4.995 -0.215 1 1 409 . 7 1 1 A 34 34 GLU C C 34 176.000 175.070 0.930 1 1 410 . 7 1 1 A 34 34 GLU CA C 34 55.000 54.778 0.222 1 1 411 . 7 1 1 A 34 34 GLU CB C 34 31.400 32.218 -0.818 1 1 413 . 7 1 1 A 34 34 GLU N N 34 122.300 122.042 0.258 1 1 414 . 7 1 1 A 35 35 ILE H H 35 8.610 8.934 -0.324 1 1 415 . 7 1 1 A 35 35 ILE HA H 35 4.100 4.372 -0.272 1 1 425 . 7 1 1 A 35 35 ILE C C 35 175.600 175.367 0.233 1 1 426 . 7 1 1 A 35 35 ILE CA C 35 61.200 61.745 -0.545 1 1 427 . 7 1 1 A 35 35 ILE CB C 35 38.800 37.689 1.111 1 1 431 . 7 1 1 A 35 35 ILE N N 35 125.500 127.529 -2.029 1 1 432 . 7 1 1 A 36 36 ILE H H 36 9.450 9.725 -0.275 1 1 433 . 7 1 1 A 36 36 ILE HA H 36 3.990 4.110 -0.120 1 1 443 . 7 1 1 A 36 36 ILE C C 36 176.500 175.942 0.558 1 1 444 . 7 1 1 A 36 36 ILE CA C 36 63.100 63.222 -0.122 1 1 445 . 7 1 1 A 36 36 ILE CB C 36 38.800 38.182 0.618 1 1 449 . 7 1 1 A 36 36 ILE N N 36 129.500 128.937 0.563 1 1 450 . 7 1 1 A 37 37 LYS H H 37 7.630 7.692 -0.062 1 1 451 . 7 1 1 A 37 37 LYS HA H 37 4.670 4.938 -0.268 1 1 460 . 7 1 1 A 37 37 LYS C C 37 173.100 174.026 -0.926 1 1 461 . 7 1 1 A 37 37 LYS CA C 37 55.700 55.140 0.560 1 1 462 . 7 1 1 A 37 37 LYS CB C 37 34.700 37.137 -2.437 1 1 466 . 7 1 1 A 37 37 LYS N N 37 113.300 119.054 -5.754 1 1 467 . 7 1 1 A 38 38 GLU H H 38 8.800 9.156 -0.356 1 1 468 . 7 1 1 A 38 38 GLU HA H 38 5.360 5.371 -0.011 1 1 473 . 7 1 1 A 38 38 GLU C C 38 175.300 175.211 0.089 1 1 474 . 7 1 1 A 38 38 GLU CA C 38 55.400 55.061 0.339 1 1 475 . 7 1 1 A 38 38 GLU CB C 38 32.500 32.623 -0.123 1 1 477 . 7 1 1 A 38 38 GLU N N 38 122.000 123.276 -1.276 1 1 478 . 7 1 1 A 39 39 VAL H H 39 9.550 9.147 0.403 1 1 479 . 7 1 1 A 39 39 VAL HA H 39 4.360 4.542 -0.182 1 1 487 . 7 1 1 A 39 39 VAL C C 39 174.500 176.078 -1.578 1 1 488 . 7 1 1 A 39 39 VAL CA C 39 61.600 61.142 0.458 1 1 489 . 7 1 1 A 39 39 VAL CB C 39 34.400 34.372 0.028 1 1 492 . 7 1 1 A 39 39 VAL N N 39 126.000 126.486 -0.486 1 1 493 . 7 1 1 A 40 40 ASP H H 40 8.960 9.605 -0.645 1 1 494 . 7 1 1 A 40 40 ASP HA H 40 4.340 4.310 0.030 1 1 497 . 7 1 1 A 40 40 ASP C C 40 175.800 175.285 0.515 1 1 498 . 7 1 1 A 40 40 ASP CA C 40 55.900 55.242 0.658 1 1 499 . 7 1 1 A 40 40 ASP CB C 40 40.700 39.819 0.881 1 1 500 . 7 1 1 A 40 40 ASP N N 40 125.700 127.651 -1.951 1 1 501 . 7 1 1 A 41 41 GLY H H 41 8.870 8.242 0.628 1 1 502 . 7 1 1 A 41 41 GLY HA2 H 41 3.510 3.707 -0.197 1 1 503 . 7 1 1 A 41 41 GLY HA3 H 41 4.190 3.783 0.407 1 1 504 . 7 1 1 A 41 41 GLY C C 41 173.900 174.127 -0.227 1 1 505 . 7 1 1 A 41 41 GLY CA C 41 45.700 45.204 0.496 1 1 506 . 7 1 1 A 41 41 GLY N N 41 105.500 103.648 1.852 1 1 507 . 7 1 1 A 42 42 TRP H H 42 8.580 8.223 0.357 1 1 508 . 7 1 1 A 42 42 TRP HA H 42 4.700 4.549 0.151 1 1 517 . 7 1 1 A 42 42 TRP C C 42 175.300 175.847 -0.547 1 1 518 . 7 1 1 A 42 42 TRP CA C 42 56.300 57.697 -1.397 1 1 519 . 7 1 1 A 42 42 TRP CB C 42 31.300 30.122 1.178 1 1 525 . 7 1 1 A 42 42 TRP N N 42 122.900 120.719 2.181 1 1 527 . 7 1 1 A 43 43 TYR H H 43 9.400 8.645 0.755 1 1 528 . 7 1 1 A 43 43 TYR HA H 43 5.630 5.187 0.443 1 1 535 . 7 1 1 A 43 43 TYR C C 43 175.800 175.314 0.486 1 1 536 . 7 1 1 A 43 43 TYR CA C 43 55.900 57.237 -1.337 1 1 537 . 7 1 1 A 43 43 TYR CB C 43 40.200 40.296 -0.096 1 1 542 . 7 1 1 A 43 43 TYR N N 43 119.000 122.390 -3.390 1 1 543 . 7 1 1 A 44 44 GLU H H 44 9.110 9.510 -0.400 1 1 544 . 7 1 1 A 44 44 GLU HA H 44 4.040 4.538 -0.498 1 1 549 . 7 1 1 A 44 44 GLU C C 44 175.500 176.518 -1.018 1 1 550 . 7 1 1 A 44 44 GLU CA C 44 55.500 56.064 -0.564 1 1 551 . 7 1 1 A 44 44 GLU CB C 44 31.200 30.692 0.508 1 1 553 . 7 1 1 A 44 44 GLU N N 44 125.600 124.901 0.699 1 1 554 . 7 1 1 A 45 45 ILE H H 45 9.300 8.610 0.690 1 1 555 . 7 1 1 A 45 45 ILE HA H 45 5.550 5.454 0.096 1 1 565 . 7 1 1 A 45 45 ILE C C 45 173.700 173.487 0.213 1 1 566 . 7 1 1 A 45 45 ILE CA C 45 58.300 58.624 -0.324 1 1 567 . 7 1 1 A 45 45 ILE CB C 45 43.200 42.074 1.126 1 1 571 . 7 1 1 A 45 45 ILE N N 45 122.700 121.156 1.544 1 1 572 . 7 1 1 A 46 46 ARG H H 46 8.730 8.374 0.356 1 1 573 . 7 1 1 A 46 46 ARG HA H 46 5.310 5.490 -0.180 1 1 580 . 7 1 1 A 46 46 ARG C C 46 176.400 174.777 1.623 1 1 581 . 7 1 1 A 46 46 ARG CA C 46 54.400 54.396 0.004 1 1 582 . 7 1 1 A 46 46 ARG CB C 46 33.600 33.442 0.158 1 1 585 . 7 1 1 A 46 46 ARG N N 46 118.900 122.739 -3.839 1 1 586 . 7 1 1 A 47 47 PHE H H 47 9.080 9.404 -0.324 1 1 587 . 7 1 1 A 47 47 PHE HA H 47 4.850 4.845 0.005 1 1 595 . 7 1 1 A 47 47 PHE C C 47 174.500 174.789 -0.289 1 1 596 . 7 1 1 A 47 47 PHE CA C 47 57.300 57.721 -0.421 1 1 597 . 7 1 1 A 47 47 PHE CB C 47 42.500 42.873 -0.373 1 1 603 . 7 1 1 A 47 47 PHE N N 47 126.500 127.149 -0.649 1 1 604 . 7 1 1 A 48 48 ASN H H 48 9.140 8.586 0.554 1 1 605 . 7 1 1 A 48 48 ASN HA H 48 4.080 4.058 0.022 1 1 610 . 7 1 1 A 48 48 ASN C C 48 175.100 174.617 0.483 1 1 611 . 7 1 1 A 48 48 ASN CA C 48 53.500 53.712 -0.212 1 1 612 . 7 1 1 A 48 48 ASN CB C 48 37.100 37.243 -0.143 1 1 614 . 7 1 1 A 48 48 ASN N N 48 128.500 125.024 3.476 1 1 616 . 7 1 1 A 49 49 GLY H H 49 8.600 8.566 0.034 1 1 617 . 7 1 1 A 49 49 GLY HA2 H 49 3.510 3.793 -0.283 1 1 618 . 7 1 1 A 49 49 GLY HA3 H 49 4.110 3.794 0.316 1 1 619 . 7 1 1 A 49 49 GLY C C 49 173.600 173.716 -0.116 1 1 620 . 7 1 1 A 49 49 GLY CA C 49 45.600 45.346 0.254 1 1 621 . 7 1 1 A 49 49 GLY N N 49 103.100 103.685 -0.585 1 1 622 . 7 1 1 A 50 50 LYS H H 50 7.850 8.089 -0.239 1 1 623 . 7 1 1 A 50 50 LYS HA H 50 4.620 4.727 -0.107 1 1 632 . 7 1 1 A 50 50 LYS C C 50 174.600 175.594 -0.994 1 1 633 . 7 1 1 A 50 50 LYS CA C 50 54.900 54.291 0.609 1 1 634 . 7 1 1 A 50 50 LYS CB C 50 35.100 34.669 0.431 1 1 638 . 7 1 1 A 50 50 LYS N N 50 121.700 120.684 1.016 1 1 639 . 7 1 1 A 51 51 VAL H H 51 8.120 8.621 -0.501 1 1 640 . 7 1 1 A 51 51 VAL HA H 51 5.100 4.982 0.118 1 1 648 . 7 1 1 A 51 51 VAL C C 51 176.100 175.680 0.420 1 1 649 . 7 1 1 A 51 51 VAL CA C 51 60.700 60.115 0.585 1 1 650 . 7 1 1 A 51 51 VAL CB C 51 33.400 34.383 -0.983 1 1 653 . 7 1 1 A 51 51 VAL N N 51 122.100 122.301 -0.201 1 1 654 . 7 1 1 A 52 52 GLY H H 52 8.430 8.198 0.232 1 1 655 . 7 1 1 A 52 52 GLY HA2 H 52 3.760 4.244 -0.484 1 1 656 . 7 1 1 A 52 52 GLY HA3 H 52 4.230 4.284 -0.054 1 1 657 . 7 1 1 A 52 52 GLY C C 52 170.300 171.396 -1.096 1 1 658 . 7 1 1 A 52 52 GLY CA C 52 45.600 45.947 -0.347 1 1 659 . 7 1 1 A 52 52 GLY N N 52 113.100 112.651 0.449 1 1 660 . 7 1 1 A 53 53 TYR H H 53 9.260 9.276 -0.016 1 1 661 . 7 1 1 A 53 53 TYR HA H 53 5.990 5.742 0.248 1 1 668 . 7 1 1 A 53 53 TYR C C 53 175.700 175.329 0.371 1 1 669 . 7 1 1 A 53 53 TYR CA C 53 56.800 56.882 -0.082 1 1 670 . 7 1 1 A 53 53 TYR CB C 53 42.800 43.765 -0.965 1 1 675 . 7 1 1 A 53 53 TYR N N 53 118.000 119.107 -1.107 1 1 676 . 7 1 1 A 54 54 ALA H H 54 9.210 8.607 0.603 1 1 677 . 7 1 1 A 54 54 ALA HA H 54 5.280 5.307 -0.027 1 1 681 . 7 1 1 A 54 54 ALA C C 54 175.800 176.207 -0.407 1 1 682 . 7 1 1 A 54 54 ALA CA C 54 50.900 51.032 -0.132 1 1 683 . 7 1 1 A 54 54 ALA CB C 54 23.800 23.438 0.362 1 1 684 . 7 1 1 A 54 54 ALA N N 54 122.000 122.732 -0.732 1 1 685 . 7 1 1 A 55 55 SER H H 55 8.620 8.763 -0.143 1 1 686 . 7 1 1 A 55 55 SER HA H 55 3.270 3.510 -0.240 1 1 689 . 7 1 1 A 55 55 SER C C 55 175.400 175.873 -0.473 1 1 690 . 7 1 1 A 55 55 SER CA C 55 59.100 58.981 0.119 1 1 691 . 7 1 1 A 55 55 SER CB C 55 63.200 63.478 -0.278 1 1 692 . 7 1 1 A 55 55 SER N N 55 117.400 116.765 0.635 1 1 693 . 7 1 1 A 56 56 LYS H H 56 7.630 8.345 -0.715 1 1 694 . 7 1 1 A 56 56 LYS HA H 56 3.750 4.216 -0.466 1 1 703 . 7 1 1 A 56 56 LYS C C 56 177.100 178.099 -0.999 1 1 704 . 7 1 1 A 56 56 LYS CA C 56 58.600 58.822 -0.222 1 1 705 . 7 1 1 A 56 56 LYS CB C 56 32.300 31.956 0.344 1 1 709 . 7 1 1 A 56 56 LYS N N 56 124.500 123.519 0.981 1 1 710 . 7 1 1 A 57 57 SER H H 57 7.670 7.863 -0.193 1 1 711 . 7 1 1 A 57 57 SER HA H 57 3.930 4.044 -0.114 1 1 714 . 7 1 1 A 57 57 SER C C 57 174.100 175.369 -1.269 1 1 715 . 7 1 1 A 57 57 SER CA C 57 60.700 61.233 -0.533 1 1 716 . 7 1 1 A 57 57 SER CB C 57 62.800 62.078 0.722 1 1 717 . 7 1 1 A 57 57 SER N N 57 112.000 114.433 -2.433 1 1 718 . 7 1 1 A 58 58 TYR H H 58 6.990 7.717 -0.727 1 1 719 . 7 1 1 A 58 58 TYR HA H 58 4.800 4.589 0.211 1 1 726 . 7 1 1 A 58 58 TYR C C 58 173.300 174.857 -1.557 1 1 727 . 7 1 1 A 58 58 TYR CA C 58 57.400 58.683 -1.283 1 1 728 . 7 1 1 A 58 58 TYR CB C 58 40.500 39.166 1.334 1 1 733 . 7 1 1 A 58 58 TYR N N 58 116.100 119.393 -3.293 1 1 734 . 7 1 1 A 59 59 ILE H H 59 7.300 7.722 -0.422 1 1 735 . 7 1 1 A 59 59 ILE HA H 59 4.790 4.753 0.037 1 1 745 . 7 1 1 A 59 59 ILE C C 59 174.500 174.788 -0.288 1 1 746 . 7 1 1 A 59 59 ILE CA C 59 59.300 60.227 -0.927 1 1 747 . 7 1 1 A 59 59 ILE CB C 59 40.800 39.042 1.758 1 1 751 . 7 1 1 A 59 59 ILE N N 59 119.000 120.506 -1.506 1 1 752 . 7 1 1 A 60 60 THR H H 60 8.980 8.840 0.140 1 1 753 . 7 1 1 A 60 60 THR HA H 60 4.580 4.926 -0.346 1 1 758 . 7 1 1 A 60 60 THR C C 60 173.800 173.298 0.502 1 1 759 . 7 1 1 A 60 60 THR CA C 60 60.800 61.861 -1.061 1 1 760 . 7 1 1 A 60 60 THR CB C 60 71.100 70.646 0.454 1 1 762 . 7 1 1 A 60 60 THR N N 60 123.600 124.290 -0.690 1 1 763 . 7 1 1 A 61 61 ILE H H 61 8.680 8.700 -0.020 1 1 764 . 7 1 1 A 61 61 ILE HA H 61 4.180 4.083 0.097 1 1 774 . 7 1 1 A 61 61 ILE C C 61 176.400 176.258 0.142 1 1 775 . 7 1 1 A 61 61 ILE CA C 61 61.800 60.493 1.307 1 1 776 . 7 1 1 A 61 61 ILE CB C 61 37.900 37.577 0.323 1 1 780 . 7 1 1 A 61 61 ILE N N 61 127.200 128.265 -1.065 1 1 781 . 7 1 1 A 62 62 VAL H H 62 8.370 8.576 -0.206 1 1 782 . 7 1 1 A 62 62 VAL HA H 62 4.140 3.628 0.512 1 1 790 . 7 1 1 A 62 62 VAL C C 62 175.200 177.078 -1.878 1 1 791 . 7 1 1 A 62 62 VAL CA C 62 61.800 64.485 -2.685 1 1 792 . 7 1 1 A 62 62 VAL CB C 62 33.200 31.986 1.214 1 1 795 . 7 1 1 A 62 62 VAL N N 62 126.600 127.555 -0.955 1 1 796 . 7 1 1 A 63 63 ASN H H 63 8.590 9.097 -0.507 1 1 797 . 7 1 1 A 63 63 ASN HA H 63 4.730 4.436 0.294 1 1 802 . 7 1 1 A 63 63 ASN C C 63 175.200 175.054 0.146 1 1 803 . 7 1 1 A 63 63 ASN CA C 63 53.200 54.112 -0.912 1 1 804 . 7 1 1 A 63 63 ASN CB C 63 39.100 38.018 1.082 1 1 806 . 7 1 1 A 63 63 ASN N N 63 123.500 124.106 -0.606 1 1 808 . 7 1 1 A 64 64 GLU H H 64 8.620 8.306 0.314 1 1 809 . 7 1 1 A 64 64 GLU HA H 64 4.250 4.472 -0.222 1 1 814 . 7 1 1 A 64 64 GLU C C 64 177.000 176.351 0.649 1 1 815 . 7 1 1 A 64 64 GLU CA C 64 57.100 56.909 0.191 1 1 816 . 7 1 1 A 64 64 GLU CB C 64 30.400 32.156 -1.756 1 1 818 . 7 1 1 A 64 64 GLU N N 64 122.700 117.162 5.538 1 1 819 . 7 1 1 A 65 65 GLY H H 65 8.490 7.871 0.619 1 1 820 . 7 1 1 A 65 65 GLY HA2 H 65 3.980 3.984 -0.004 1 1 821 . 7 1 1 A 65 65 GLY HA3 H 65 3.980 3.986 -0.006 1 1 822 . 7 1 1 A 65 65 GLY C C 65 174.300 174.628 -0.328 1 1 823 . 7 1 1 A 65 65 GLY CA C 65 45.500 45.508 -0.008 1 1 824 . 7 1 1 A 65 65 GLY N N 65 109.600 108.370 1.230 1 1 825 . 7 1 1 A 66 66 SER H H 66 8.180 8.819 -0.639 1 1 826 . 7 1 1 A 66 66 SER HA H 66 4.450 4.787 -0.337 1 1 829 . 7 1 1 A 66 66 SER C C 66 174.900 174.729 0.171 1 1 830 . 7 1 1 A 66 66 SER CA C 66 58.300 57.574 0.726 1 1 831 . 7 1 1 A 66 66 SER CB C 66 63.700 64.544 -0.844 1 1 832 . 7 1 1 A 66 66 SER N N 66 115.500 118.030 -2.530 1 1 833 . 7 1 1 A 67 67 LEU H H 67 8.300 7.752 0.548 1 1 834 . 7 1 1 A 67 67 LEU HA H 67 4.300 4.375 -0.075 1 1 844 . 7 1 1 A 67 67 LEU C C 67 177.500 176.680 0.820 1 1 845 . 7 1 1 A 67 67 LEU CA C 67 55.400 54.436 0.964 1 1 846 . 7 1 1 A 67 67 LEU CB C 67 42.200 41.520 0.680 1 1 850 . 7 1 1 A 67 67 LEU N N 67 123.800 119.634 4.166 1 1 851 . 7 1 1 A 68 68 GLU H H 68 8.270 7.777 0.493 1 1 852 . 7 1 1 A 68 68 GLU HA H 68 4.160 4.419 -0.259 1 1 857 . 7 1 1 A 68 68 GLU CA C 68 56.900 55.740 1.160 1 1 858 . 7 1 1 A 68 68 GLU CB C 68 30.100 30.780 -0.680 1 1 860 . 7 1 1 A 68 68 GLU N N 68 120.700 119.434 1.266 1 1 861 . 7 1 1 A 69 69 HIS C C 69 173.900 175.030 -1.130 1 1 862 . 7 1 1 A 70 70 HIS H H 70 8.140 8.399 -0.259 1 1 863 . 7 1 1 A 70 70 HIS CA C 70 57.200 56.139 1.061 1 1 864 . 7 1 1 A 70 70 HIS CB C 70 30.200 28.218 1.982 1 1 14 . 8 1 1 A 2 2 GLN H H 2 9.330 8.937 0.393 1 1 15 . 8 1 1 A 2 2 GLN HA H 2 5.000 5.060 -0.060 1 1 22 . 8 1 1 A 2 2 GLN C C 2 174.500 175.507 -1.007 1 1 23 . 8 1 1 A 2 2 GLN CA C 2 55.500 54.112 1.388 1 1 24 . 8 1 1 A 2 2 GLN CB C 2 31.700 31.591 0.109 1 1 26 . 8 1 1 A 2 2 GLN N N 2 125.400 125.296 0.104 1 1 28 . 8 1 1 A 3 3 GLY H H 3 8.860 8.650 0.210 1 1 29 . 8 1 1 A 3 3 GLY HA2 H 3 3.070 4.054 -0.984 1 1 30 . 8 1 1 A 3 3 GLY HA3 H 3 5.250 4.080 1.170 1 1 31 . 8 1 1 A 3 3 GLY C C 3 171.800 172.697 -0.897 1 1 32 . 8 1 1 A 3 3 GLY CA C 3 44.300 44.421 -0.121 1 1 33 . 8 1 1 A 3 3 GLY N N 3 108.200 111.969 -3.769 1 1 34 . 8 1 1 A 4 4 VAL H H 4 9.060 8.573 0.487 1 1 35 . 8 1 1 A 4 4 VAL HA H 4 5.080 4.822 0.258 1 1 43 . 8 1 1 A 4 4 VAL C C 4 174.500 174.740 -0.240 1 1 44 . 8 1 1 A 4 4 VAL CA C 4 59.800 60.619 -0.819 1 1 45 . 8 1 1 A 4 4 VAL CB C 4 35.300 34.706 0.594 1 1 48 . 8 1 1 A 4 4 VAL N N 4 120.200 122.004 -1.804 1 1 49 . 8 1 1 A 5 5 VAL H H 5 8.750 8.510 0.240 1 1 50 . 8 1 1 A 5 5 VAL HA H 5 4.190 4.357 -0.167 1 1 58 . 8 1 1 A 5 5 VAL C C 5 175.800 175.280 0.520 1 1 59 . 8 1 1 A 5 5 VAL CA C 5 62.800 62.057 0.743 1 1 60 . 8 1 1 A 5 5 VAL CB C 5 31.900 32.004 -0.104 1 1 63 . 8 1 1 A 5 5 VAL N N 5 128.600 128.348 0.252 1 1 64 . 8 1 1 A 6 6 LYS H H 6 8.830 9.202 -0.372 1 1 65 . 8 1 1 A 6 6 LYS HA H 6 5.250 5.028 0.222 1 1 74 . 8 1 1 A 6 6 LYS C C 6 174.800 174.820 -0.020 1 1 75 . 8 1 1 A 6 6 LYS CA C 6 54.300 55.218 -0.918 1 1 76 . 8 1 1 A 6 6 LYS CB C 6 33.200 34.084 -0.884 1 1 80 . 8 1 1 A 6 6 LYS N N 6 131.400 127.307 4.093 1 1 81 . 8 1 1 A 7 7 VAL H H 7 8.270 8.649 -0.379 1 1 82 . 8 1 1 A 7 7 VAL HA H 7 4.640 4.965 -0.325 1 1 90 . 8 1 1 A 7 7 VAL C C 7 173.400 176.900 -3.500 1 1 91 . 8 1 1 A 7 7 VAL CA C 7 59.700 59.733 -0.033 1 1 92 . 8 1 1 A 7 7 VAL CB C 7 35.400 35.593 -0.193 1 1 95 . 8 1 1 A 7 7 VAL N N 7 119.000 123.049 -4.049 1 1 96 . 8 1 1 A 8 8 ASN H H 8 8.560 9.186 -0.626 1 1 97 . 8 1 1 A 8 8 ASN HA H 8 4.690 4.521 0.169 1 1 102 . 8 1 1 A 8 8 ASN C C 8 175.600 176.506 -0.906 1 1 103 . 8 1 1 A 8 8 ASN CA C 8 54.500 56.130 -1.630 1 1 104 . 8 1 1 A 8 8 ASN CB C 8 38.700 37.453 1.247 1 1 106 . 8 1 1 A 8 8 ASN N N 8 120.700 125.740 -5.040 1 1 108 . 8 1 1 A 9 9 SER H H 9 7.630 8.305 -0.675 1 1 109 . 8 1 1 A 9 9 SER HA H 9 4.450 4.822 -0.372 1 1 112 . 8 1 1 A 9 9 SER C C 9 172.800 173.284 -0.484 1 1 113 . 8 1 1 A 9 9 SER CA C 9 58.100 59.931 -1.831 1 1 114 . 8 1 1 A 9 9 SER CB C 9 63.500 65.024 -1.524 1 1 115 . 8 1 1 A 9 9 SER N N 9 112.800 112.947 -0.147 1 1 116 . 8 1 1 A 10 10 ALA H H 10 8.330 7.568 0.762 1 1 117 . 8 1 1 A 10 10 ALA HA H 10 4.530 4.684 -0.154 1 1 121 . 8 1 1 A 10 10 ALA C C 10 175.300 174.464 0.836 1 1 122 . 8 1 1 A 10 10 ALA CA C 10 52.400 51.607 0.793 1 1 123 . 8 1 1 A 10 10 ALA CB C 10 20.900 22.931 -2.031 1 1 124 . 8 1 1 A 10 10 ALA N N 10 123.900 119.752 4.148 1 1 125 . 8 1 1 A 11 11 LEU H H 11 8.930 8.702 0.228 1 1 126 . 8 1 1 A 11 11 LEU HA H 11 4.530 4.887 -0.357 1 1 136 . 8 1 1 A 11 11 LEU C C 11 175.300 175.567 -0.267 1 1 137 . 8 1 1 A 11 11 LEU CA C 11 52.600 53.382 -0.782 1 1 138 . 8 1 1 A 11 11 LEU CB C 11 45.900 44.509 1.391 1 1 142 . 8 1 1 A 11 11 LEU N N 11 123.600 123.428 0.172 1 1 143 . 8 1 1 A 12 12 ASN H H 12 8.800 8.510 0.290 1 1 144 . 8 1 1 A 12 12 ASN HA H 12 5.030 4.919 0.111 1 1 149 . 8 1 1 A 12 12 ASN C C 12 174.000 174.591 -0.591 1 1 150 . 8 1 1 A 12 12 ASN CA C 12 53.800 53.389 0.411 1 1 151 . 8 1 1 A 12 12 ASN CB C 12 39.500 39.394 0.106 1 1 153 . 8 1 1 A 12 12 ASN N N 12 123.600 125.024 -1.424 1 1 155 . 8 1 1 A 13 13 MET H H 13 8.630 9.008 -0.378 1 1 156 . 8 1 1 A 13 13 MET HA H 13 4.970 5.239 -0.269 1 1 164 . 8 1 1 A 13 13 MET C C 13 176.000 174.976 1.024 1 1 165 . 8 1 1 A 13 13 MET CA C 13 54.900 54.096 0.804 1 1 166 . 8 1 1 A 13 13 MET CB C 13 35.200 35.454 -0.254 1 1 169 . 8 1 1 A 13 13 MET N N 13 122.600 123.792 -1.192 1 1 170 . 8 1 1 A 14 14 ARG H H 14 9.730 8.554 1.176 1 1 171 . 8 1 1 A 14 14 ARG HA H 14 5.760 4.969 0.791 1 1 178 . 8 1 1 A 14 14 ARG C C 14 177.700 176.411 1.289 1 1 179 . 8 1 1 A 14 14 ARG CA C 14 54.900 53.986 0.914 1 1 180 . 8 1 1 A 14 14 ARG CB C 14 34.600 32.980 1.620 1 1 183 . 8 1 1 A 14 14 ARG N N 14 125.200 125.006 0.194 1 1 184 . 8 1 1 A 15 15 SER H H 15 9.010 8.944 0.066 1 1 185 . 8 1 1 A 15 15 SER HA H 15 4.580 4.214 0.366 1 1 188 . 8 1 1 A 15 15 SER C C 15 173.100 174.502 -1.402 1 1 189 . 8 1 1 A 15 15 SER CA C 15 59.100 61.465 -2.365 1 1 190 . 8 1 1 A 15 15 SER CB C 15 63.600 63.426 0.174 1 1 191 . 8 1 1 A 15 15 SER N N 15 113.600 118.322 -4.722 1 1 192 . 8 1 1 A 16 16 GLY H H 16 6.940 7.580 -0.640 1 1 193 . 8 1 1 A 16 16 GLY HA2 H 16 1.050 2.412 -1.362 1 1 194 . 8 1 1 A 16 16 GLY HA3 H 16 3.010 3.550 -0.540 1 1 195 . 8 1 1 A 16 16 GLY CA C 16 43.700 43.089 0.611 1 1 196 . 8 1 1 A 16 16 GLY N N 16 109.500 107.274 2.226 1 1 197 . 8 1 1 A 17 17 PRO HA H 17 3.070 3.917 -0.847 1 1 204 . 8 1 1 A 17 17 PRO C C 17 172.400 175.389 -2.989 1 1 205 . 8 1 1 A 17 17 PRO CA C 17 60.200 62.116 -1.916 1 1 206 . 8 1 1 A 17 17 PRO CB C 17 28.300 29.415 -1.115 1 1 209 . 8 1 1 A 18 18 GLY H H 18 6.650 7.226 -0.576 1 1 210 . 8 1 1 A 18 18 GLY HA2 H 18 3.630 3.871 -0.241 1 1 211 . 8 1 1 A 18 18 GLY HA3 H 18 4.010 4.148 -0.138 1 1 212 . 8 1 1 A 18 18 GLY C C 18 173.200 174.479 -1.279 1 1 213 . 8 1 1 A 18 18 GLY CA C 18 46.200 45.463 0.737 1 1 214 . 8 1 1 A 18 18 GLY N N 18 110.400 109.449 0.951 1 1 215 . 8 1 1 A 19 19 SER H H 19 8.960 8.846 0.114 1 1 216 . 8 1 1 A 19 19 SER HA H 19 4.200 4.348 -0.148 1 1 219 . 8 1 1 A 19 19 SER C C 19 173.600 175.283 -1.683 1 1 220 . 8 1 1 A 19 19 SER CA C 19 60.600 61.129 -0.529 1 1 221 . 8 1 1 A 19 19 SER CB C 19 63.200 63.261 -0.061 1 1 222 . 8 1 1 A 19 19 SER N N 19 115.800 116.170 -0.370 1 1 223 . 8 1 1 A 20 20 ASN H H 20 8.720 8.745 -0.025 1 1 224 . 8 1 1 A 20 20 ASN HA H 20 4.560 4.500 0.060 1 1 229 . 8 1 1 A 20 20 ASN C C 20 175.300 175.251 0.049 1 1 230 . 8 1 1 A 20 20 ASN CA C 20 53.300 54.056 -0.756 1 1 231 . 8 1 1 A 20 20 ASN CB C 20 37.300 36.985 0.315 1 1 233 . 8 1 1 A 20 20 ASN N N 20 115.000 119.088 -4.088 1 1 235 . 8 1 1 A 21 21 TYR H H 21 7.040 7.651 -0.611 1 1 236 . 8 1 1 A 21 21 TYR HA H 21 4.290 4.605 -0.315 1 1 243 . 8 1 1 A 21 21 TYR C C 21 175.700 176.211 -0.511 1 1 244 . 8 1 1 A 21 21 TYR CA C 21 58.800 57.992 0.808 1 1 245 . 8 1 1 A 21 21 TYR CB C 21 39.400 38.831 0.569 1 1 250 . 8 1 1 A 21 21 TYR N N 21 119.200 117.773 1.427 1 1 251 . 8 1 1 A 22 22 GLY H H 22 8.450 7.552 0.898 1 1 252 . 8 1 1 A 22 22 GLY HA2 H 22 3.820 4.046 -0.226 1 1 253 . 8 1 1 A 22 22 GLY HA3 H 22 4.090 4.050 0.040 1 1 254 . 8 1 1 A 22 22 GLY C C 22 172.700 173.166 -0.466 1 1 255 . 8 1 1 A 22 22 GLY CA C 22 45.300 44.892 0.408 1 1 256 . 8 1 1 A 22 22 GLY N N 22 107.800 108.548 -0.748 1 1 257 . 8 1 1 A 23 23 VAL H H 23 8.470 8.327 0.143 1 1 258 . 8 1 1 A 23 23 VAL HA H 23 4.320 4.845 -0.525 1 1 266 . 8 1 1 A 23 23 VAL C C 23 178.000 176.282 1.718 1 1 267 . 8 1 1 A 23 23 VAL CA C 23 63.700 61.065 2.635 1 1 268 . 8 1 1 A 23 23 VAL CB C 23 32.700 33.102 -0.402 1 1 271 . 8 1 1 A 23 23 VAL N N 23 120.200 119.144 1.056 1 1 272 . 8 1 1 A 24 24 ILE H H 24 9.120 8.765 0.355 1 1 273 . 8 1 1 A 24 24 ILE HA H 24 4.740 4.662 0.078 1 1 283 . 8 1 1 A 24 24 ILE C C 24 175.300 175.798 -0.498 1 1 284 . 8 1 1 A 24 24 ILE CA C 24 60.500 60.827 -0.327 1 1 285 . 8 1 1 A 24 24 ILE CB C 24 39.900 39.033 0.867 1 1 289 . 8 1 1 A 24 24 ILE N N 24 120.900 124.555 -3.655 1 1 290 . 8 1 1 A 25 25 GLY H H 25 7.770 7.541 0.229 1 1 291 . 8 1 1 A 25 25 GLY HA2 H 25 4.130 4.083 0.047 1 1 292 . 8 1 1 A 25 25 GLY HA3 H 25 4.310 4.090 0.220 1 1 293 . 8 1 1 A 25 25 GLY C C 25 171.100 171.334 -0.234 1 1 294 . 8 1 1 A 25 25 GLY CA C 25 45.500 45.547 -0.047 1 1 295 . 8 1 1 A 25 25 GLY N N 25 109.200 109.272 -0.072 1 1 296 . 8 1 1 A 26 26 THR H H 26 8.440 8.540 -0.100 1 1 297 . 8 1 1 A 26 26 THR HA H 26 5.080 5.083 -0.003 1 1 302 . 8 1 1 A 26 26 THR C C 26 173.000 173.823 -0.823 1 1 303 . 8 1 1 A 26 26 THR CA C 26 61.400 61.346 0.054 1 1 304 . 8 1 1 A 26 26 THR CB C 26 72.200 71.055 1.145 1 1 306 . 8 1 1 A 26 26 THR N N 26 113.900 115.597 -1.697 1 1 307 . 8 1 1 A 27 27 LEU H H 27 9.180 9.514 -0.334 1 1 308 . 8 1 1 A 27 27 LEU HA H 27 4.480 4.944 -0.464 1 1 318 . 8 1 1 A 27 27 LEU C C 27 174.900 175.879 -0.979 1 1 319 . 8 1 1 A 27 27 LEU CA C 27 53.400 53.022 0.378 1 1 320 . 8 1 1 A 27 27 LEU CB C 27 45.000 44.748 0.252 1 1 324 . 8 1 1 A 27 27 LEU N N 27 125.600 125.784 -0.184 1 1 325 . 8 1 1 A 28 28 ARG H H 28 9.280 8.679 0.601 1 1 326 . 8 1 1 A 28 28 ARG HA H 28 4.510 4.700 -0.190 1 1 333 . 8 1 1 A 28 28 ARG C C 28 175.300 175.728 -0.428 1 1 334 . 8 1 1 A 28 28 ARG CA C 28 53.300 54.074 -0.774 1 1 335 . 8 1 1 A 28 28 ARG CB C 28 33.100 32.643 0.457 1 1 338 . 8 1 1 A 28 28 ARG N N 28 120.600 121.042 -0.442 1 1 339 . 8 1 1 A 29 29 ASN H H 29 8.360 8.633 -0.273 1 1 340 . 8 1 1 A 29 29 ASN HA H 29 4.070 4.601 -0.531 1 1 345 . 8 1 1 A 29 29 ASN C C 29 176.500 175.579 0.921 1 1 346 . 8 1 1 A 29 29 ASN CA C 29 56.100 53.309 2.791 1 1 347 . 8 1 1 A 29 29 ASN CB C 29 39.300 38.819 0.481 1 1 349 . 8 1 1 A 29 29 ASN N N 29 117.200 119.321 -2.121 1 1 351 . 8 1 1 A 30 30 ASN H H 30 9.290 9.326 -0.036 1 1 352 . 8 1 1 A 30 30 ASN HA H 30 4.300 4.328 -0.028 1 1 357 . 8 1 1 A 30 30 ASN C C 30 175.100 174.551 0.549 1 1 358 . 8 1 1 A 30 30 ASN CA C 30 55.500 54.033 1.467 1 1 359 . 8 1 1 A 30 30 ASN CB C 30 37.300 37.726 -0.426 1 1 361 . 8 1 1 A 30 30 ASN N N 30 118.900 118.797 0.103 1 1 363 . 8 1 1 A 31 31 ASP H H 31 8.210 7.916 0.294 1 1 364 . 8 1 1 A 31 31 ASP HA H 31 4.700 4.857 -0.157 1 1 367 . 8 1 1 A 31 31 ASP C C 31 175.300 175.519 -0.219 1 1 368 . 8 1 1 A 31 31 ASP CA C 31 56.500 53.534 2.966 1 1 369 . 8 1 1 A 31 31 ASP CB C 31 41.200 41.485 -0.285 1 1 370 . 8 1 1 A 31 31 ASP N N 31 122.300 119.346 2.954 1 1 371 . 8 1 1 A 32 32 LYS H H 32 8.510 8.561 -0.051 1 1 372 . 8 1 1 A 32 32 LYS HA H 32 5.140 4.410 0.730 1 1 381 . 8 1 1 A 32 32 LYS C C 32 176.600 176.599 0.001 1 1 382 . 8 1 1 A 32 32 LYS CA C 32 55.400 56.619 -1.219 1 1 383 . 8 1 1 A 32 32 LYS CB C 32 33.500 32.792 0.708 1 1 387 . 8 1 1 A 32 32 LYS N N 32 121.500 127.160 -5.660 1 1 388 . 8 1 1 A 33 33 VAL H H 33 8.650 8.547 0.103 1 1 389 . 8 1 1 A 33 33 VAL HA H 33 5.020 4.963 0.057 1 1 397 . 8 1 1 A 33 33 VAL C C 33 174.200 174.192 0.008 1 1 398 . 8 1 1 A 33 33 VAL CA C 33 58.200 58.816 -0.616 1 1 399 . 8 1 1 A 33 33 VAL CB C 33 34.900 36.031 -1.131 1 1 402 . 8 1 1 A 33 33 VAL N N 33 113.500 117.738 -4.238 1 1 403 . 8 1 1 A 34 34 GLU H H 34 8.070 8.772 -0.702 1 1 404 . 8 1 1 A 34 34 GLU HA H 34 4.780 4.844 -0.064 1 1 409 . 8 1 1 A 34 34 GLU C C 34 176.000 175.459 0.541 1 1 410 . 8 1 1 A 34 34 GLU CA C 34 55.000 55.404 -0.404 1 1 411 . 8 1 1 A 34 34 GLU CB C 34 31.400 31.305 0.095 1 1 413 . 8 1 1 A 34 34 GLU N N 34 122.300 120.722 1.578 1 1 414 . 8 1 1 A 35 35 ILE H H 35 8.610 8.845 -0.235 1 1 415 . 8 1 1 A 35 35 ILE HA H 35 4.100 4.506 -0.406 1 1 425 . 8 1 1 A 35 35 ILE C C 35 175.600 175.332 0.268 1 1 426 . 8 1 1 A 35 35 ILE CA C 35 61.200 61.045 0.155 1 1 427 . 8 1 1 A 35 35 ILE CB C 35 38.800 37.201 1.599 1 1 431 . 8 1 1 A 35 35 ILE N N 35 125.500 124.942 0.558 1 1 432 . 8 1 1 A 36 36 ILE H H 36 9.450 8.842 0.608 1 1 433 . 8 1 1 A 36 36 ILE HA H 36 3.990 3.933 0.057 1 1 443 . 8 1 1 A 36 36 ILE C C 36 176.500 176.280 0.220 1 1 444 . 8 1 1 A 36 36 ILE CA C 36 63.100 63.837 -0.737 1 1 445 . 8 1 1 A 36 36 ILE CB C 36 38.800 38.151 0.649 1 1 449 . 8 1 1 A 36 36 ILE N N 36 129.500 129.538 -0.038 1 1 450 . 8 1 1 A 37 37 LYS H H 37 7.630 7.576 0.054 1 1 451 . 8 1 1 A 37 37 LYS HA H 37 4.670 4.705 -0.035 1 1 460 . 8 1 1 A 37 37 LYS C C 37 173.100 173.694 -0.594 1 1 461 . 8 1 1 A 37 37 LYS CA C 37 55.700 55.126 0.574 1 1 462 . 8 1 1 A 37 37 LYS CB C 37 34.700 34.667 0.033 1 1 466 . 8 1 1 A 37 37 LYS N N 37 113.300 114.732 -1.432 1 1 467 . 8 1 1 A 38 38 GLU H H 38 8.800 8.968 -0.168 1 1 468 . 8 1 1 A 38 38 GLU HA H 38 5.360 5.382 -0.022 1 1 473 . 8 1 1 A 38 38 GLU C C 38 175.300 175.302 -0.002 1 1 474 . 8 1 1 A 38 38 GLU CA C 38 55.400 55.201 0.199 1 1 475 . 8 1 1 A 38 38 GLU CB C 38 32.500 32.498 0.002 1 1 477 . 8 1 1 A 38 38 GLU N N 38 122.000 122.454 -0.454 1 1 478 . 8 1 1 A 39 39 VAL H H 39 9.550 9.117 0.433 1 1 479 . 8 1 1 A 39 39 VAL HA H 39 4.360 4.554 -0.194 1 1 487 . 8 1 1 A 39 39 VAL C C 39 174.500 176.058 -1.558 1 1 488 . 8 1 1 A 39 39 VAL CA C 39 61.600 61.151 0.449 1 1 489 . 8 1 1 A 39 39 VAL CB C 39 34.400 34.446 -0.046 1 1 492 . 8 1 1 A 39 39 VAL N N 39 126.000 126.266 -0.266 1 1 493 . 8 1 1 A 40 40 ASP H H 40 8.960 9.574 -0.614 1 1 494 . 8 1 1 A 40 40 ASP HA H 40 4.340 4.327 0.013 1 1 497 . 8 1 1 A 40 40 ASP C C 40 175.800 175.400 0.400 1 1 498 . 8 1 1 A 40 40 ASP CA C 40 55.900 55.179 0.721 1 1 499 . 8 1 1 A 40 40 ASP CB C 40 40.700 39.789 0.911 1 1 500 . 8 1 1 A 40 40 ASP N N 40 125.700 127.659 -1.959 1 1 501 . 8 1 1 A 41 41 GLY H H 41 8.870 8.347 0.523 1 1 502 . 8 1 1 A 41 41 GLY HA2 H 41 3.510 3.712 -0.202 1 1 503 . 8 1 1 A 41 41 GLY HA3 H 41 4.190 3.783 0.407 1 1 504 . 8 1 1 A 41 41 GLY C C 41 173.900 174.012 -0.112 1 1 505 . 8 1 1 A 41 41 GLY CA C 41 45.700 45.296 0.404 1 1 506 . 8 1 1 A 41 41 GLY N N 41 105.500 103.771 1.729 1 1 507 . 8 1 1 A 42 42 TRP H H 42 8.580 8.415 0.165 1 1 508 . 8 1 1 A 42 42 TRP HA H 42 4.700 4.580 0.120 1 1 517 . 8 1 1 A 42 42 TRP C C 42 175.300 175.708 -0.408 1 1 518 . 8 1 1 A 42 42 TRP CA C 42 56.300 57.318 -1.018 1 1 519 . 8 1 1 A 42 42 TRP CB C 42 31.300 30.904 0.396 1 1 525 . 8 1 1 A 42 42 TRP N N 42 122.900 121.029 1.871 1 1 527 . 8 1 1 A 43 43 TYR H H 43 9.400 8.627 0.773 1 1 528 . 8 1 1 A 43 43 TYR HA H 43 5.630 5.246 0.384 1 1 535 . 8 1 1 A 43 43 TYR C C 43 175.800 174.846 0.954 1 1 536 . 8 1 1 A 43 43 TYR CA C 43 55.900 56.957 -1.057 1 1 537 . 8 1 1 A 43 43 TYR CB C 43 40.200 40.331 -0.131 1 1 542 . 8 1 1 A 43 43 TYR N N 43 119.000 121.742 -2.742 1 1 543 . 8 1 1 A 44 44 GLU H H 44 9.110 9.066 0.044 1 1 544 . 8 1 1 A 44 44 GLU HA H 44 4.040 4.626 -0.586 1 1 549 . 8 1 1 A 44 44 GLU C C 44 175.500 175.946 -0.446 1 1 550 . 8 1 1 A 44 44 GLU CA C 44 55.500 55.275 0.225 1 1 551 . 8 1 1 A 44 44 GLU CB C 44 31.200 31.239 -0.039 1 1 553 . 8 1 1 A 44 44 GLU N N 44 125.600 124.906 0.694 1 1 554 . 8 1 1 A 45 45 ILE H H 45 9.300 8.598 0.702 1 1 555 . 8 1 1 A 45 45 ILE HA H 45 5.550 5.471 0.079 1 1 565 . 8 1 1 A 45 45 ILE C C 45 173.700 173.403 0.297 1 1 566 . 8 1 1 A 45 45 ILE CA C 45 58.300 58.573 -0.273 1 1 567 . 8 1 1 A 45 45 ILE CB C 45 43.200 41.988 1.212 1 1 571 . 8 1 1 A 45 45 ILE N N 45 122.700 121.161 1.539 1 1 572 . 8 1 1 A 46 46 ARG H H 46 8.730 8.383 0.347 1 1 573 . 8 1 1 A 46 46 ARG HA H 46 5.310 5.409 -0.099 1 1 580 . 8 1 1 A 46 46 ARG C C 46 176.400 174.617 1.783 1 1 581 . 8 1 1 A 46 46 ARG CA C 46 54.400 54.419 -0.019 1 1 582 . 8 1 1 A 46 46 ARG CB C 46 33.600 33.282 0.318 1 1 585 . 8 1 1 A 46 46 ARG N N 46 118.900 122.634 -3.734 1 1 586 . 8 1 1 A 47 47 PHE H H 47 9.080 9.556 -0.476 1 1 587 . 8 1 1 A 47 47 PHE HA H 47 4.850 4.855 -0.005 1 1 595 . 8 1 1 A 47 47 PHE C C 47 174.500 174.787 -0.287 1 1 596 . 8 1 1 A 47 47 PHE CA C 47 57.300 57.719 -0.419 1 1 597 . 8 1 1 A 47 47 PHE CB C 47 42.500 42.933 -0.433 1 1 603 . 8 1 1 A 47 47 PHE N N 47 126.500 127.277 -0.777 1 1 604 . 8 1 1 A 48 48 ASN H H 48 9.140 8.721 0.419 1 1 605 . 8 1 1 A 48 48 ASN HA H 48 4.080 4.167 -0.087 1 1 610 . 8 1 1 A 48 48 ASN C C 48 175.100 175.594 -0.494 1 1 611 . 8 1 1 A 48 48 ASN CA C 48 53.500 54.146 -0.646 1 1 612 . 8 1 1 A 48 48 ASN CB C 48 37.100 37.354 -0.254 1 1 614 . 8 1 1 A 48 48 ASN N N 48 128.500 124.931 3.569 1 1 616 . 8 1 1 A 49 49 GLY H H 49 8.600 8.549 0.051 1 1 617 . 8 1 1 A 49 49 GLY HA2 H 49 3.510 3.861 -0.351 1 1 618 . 8 1 1 A 49 49 GLY HA3 H 49 4.110 3.863 0.247 1 1 619 . 8 1 1 A 49 49 GLY C C 49 173.600 173.767 -0.167 1 1 620 . 8 1 1 A 49 49 GLY CA C 49 45.600 45.395 0.205 1 1 621 . 8 1 1 A 49 49 GLY N N 49 103.100 103.512 -0.412 1 1 622 . 8 1 1 A 50 50 LYS H H 50 7.850 7.796 0.054 1 1 623 . 8 1 1 A 50 50 LYS HA H 50 4.620 4.924 -0.304 1 1 632 . 8 1 1 A 50 50 LYS C C 50 174.600 175.029 -0.429 1 1 633 . 8 1 1 A 50 50 LYS CA C 50 54.900 54.218 0.682 1 1 634 . 8 1 1 A 50 50 LYS CB C 50 35.100 35.412 -0.312 1 1 638 . 8 1 1 A 50 50 LYS N N 50 121.700 120.333 1.367 1 1 639 . 8 1 1 A 51 51 VAL H H 51 8.120 8.602 -0.482 1 1 640 . 8 1 1 A 51 51 VAL HA H 51 5.100 5.094 0.006 1 1 648 . 8 1 1 A 51 51 VAL C C 51 176.100 175.547 0.553 1 1 649 . 8 1 1 A 51 51 VAL CA C 51 60.700 60.132 0.568 1 1 650 . 8 1 1 A 51 51 VAL CB C 51 33.400 34.321 -0.921 1 1 653 . 8 1 1 A 51 51 VAL N N 51 122.100 122.602 -0.502 1 1 654 . 8 1 1 A 52 52 GLY H H 52 8.430 8.199 0.231 1 1 655 . 8 1 1 A 52 52 GLY HA2 H 52 3.760 4.297 -0.537 1 1 656 . 8 1 1 A 52 52 GLY HA3 H 52 4.230 4.313 -0.083 1 1 657 . 8 1 1 A 52 52 GLY C C 52 170.300 171.673 -1.373 1 1 658 . 8 1 1 A 52 52 GLY CA C 52 45.600 45.703 -0.103 1 1 659 . 8 1 1 A 52 52 GLY N N 52 113.100 112.857 0.243 1 1 660 . 8 1 1 A 53 53 TYR H H 53 9.260 9.186 0.074 1 1 661 . 8 1 1 A 53 53 TYR HA H 53 5.990 5.895 0.095 1 1 668 . 8 1 1 A 53 53 TYR C C 53 175.700 174.921 0.779 1 1 669 . 8 1 1 A 53 53 TYR CA C 53 56.800 56.776 0.024 1 1 670 . 8 1 1 A 53 53 TYR CB C 53 42.800 43.632 -0.832 1 1 675 . 8 1 1 A 53 53 TYR N N 53 118.000 119.105 -1.105 1 1 676 . 8 1 1 A 54 54 ALA H H 54 9.210 8.529 0.681 1 1 677 . 8 1 1 A 54 54 ALA HA H 54 5.280 5.217 0.063 1 1 681 . 8 1 1 A 54 54 ALA C C 54 175.800 176.291 -0.491 1 1 682 . 8 1 1 A 54 54 ALA CA C 54 50.900 51.351 -0.451 1 1 683 . 8 1 1 A 54 54 ALA CB C 54 23.800 23.459 0.341 1 1 684 . 8 1 1 A 54 54 ALA N N 54 122.000 122.559 -0.559 1 1 685 . 8 1 1 A 55 55 SER H H 55 8.620 8.821 -0.201 1 1 686 . 8 1 1 A 55 55 SER HA H 55 3.270 3.895 -0.625 1 1 689 . 8 1 1 A 55 55 SER C C 55 175.400 175.715 -0.315 1 1 690 . 8 1 1 A 55 55 SER CA C 55 59.100 57.410 1.690 1 1 691 . 8 1 1 A 55 55 SER CB C 55 63.200 64.432 -1.232 1 1 692 . 8 1 1 A 55 55 SER N N 55 117.400 113.312 4.088 1 1 693 . 8 1 1 A 56 56 LYS H H 56 7.630 8.408 -0.778 1 1 694 . 8 1 1 A 56 56 LYS HA H 56 3.750 4.237 -0.487 1 1 703 . 8 1 1 A 56 56 LYS C C 56 177.100 179.156 -2.056 1 1 704 . 8 1 1 A 56 56 LYS CA C 56 58.600 58.757 -0.157 1 1 705 . 8 1 1 A 56 56 LYS CB C 56 32.300 32.226 0.074 1 1 709 . 8 1 1 A 56 56 LYS N N 56 124.500 120.324 4.176 1 1 710 . 8 1 1 A 57 57 SER H H 57 7.670 7.967 -0.297 1 1 711 . 8 1 1 A 57 57 SER HA H 57 3.930 4.090 -0.160 1 1 714 . 8 1 1 A 57 57 SER C C 57 174.100 175.710 -1.610 1 1 715 . 8 1 1 A 57 57 SER CA C 57 60.700 61.119 -0.419 1 1 716 . 8 1 1 A 57 57 SER CB C 57 62.800 62.801 -0.001 1 1 717 . 8 1 1 A 57 57 SER N N 57 112.000 115.703 -3.703 1 1 718 . 8 1 1 A 58 58 TYR H H 58 6.990 7.763 -0.773 1 1 719 . 8 1 1 A 58 58 TYR HA H 58 4.800 4.635 0.165 1 1 726 . 8 1 1 A 58 58 TYR C C 58 173.300 174.908 -1.608 1 1 727 . 8 1 1 A 58 58 TYR CA C 58 57.400 58.805 -1.405 1 1 728 . 8 1 1 A 58 58 TYR CB C 58 40.500 39.104 1.396 1 1 733 . 8 1 1 A 58 58 TYR N N 58 116.100 117.714 -1.614 1 1 734 . 8 1 1 A 59 59 ILE H H 59 7.300 7.354 -0.054 1 1 735 . 8 1 1 A 59 59 ILE HA H 59 4.790 4.794 -0.004 1 1 745 . 8 1 1 A 59 59 ILE C C 59 174.500 174.181 0.319 1 1 746 . 8 1 1 A 59 59 ILE CA C 59 59.300 60.180 -0.880 1 1 747 . 8 1 1 A 59 59 ILE CB C 59 40.800 41.283 -0.483 1 1 751 . 8 1 1 A 59 59 ILE N N 59 119.000 120.332 -1.332 1 1 752 . 8 1 1 A 60 60 THR H H 60 8.980 8.937 0.043 1 1 753 . 8 1 1 A 60 60 THR HA H 60 4.580 4.946 -0.366 1 1 758 . 8 1 1 A 60 60 THR C C 60 173.800 173.276 0.524 1 1 759 . 8 1 1 A 60 60 THR CA C 60 60.800 61.676 -0.876 1 1 760 . 8 1 1 A 60 60 THR CB C 60 71.100 70.837 0.263 1 1 762 . 8 1 1 A 60 60 THR N N 60 123.600 123.811 -0.211 1 1 763 . 8 1 1 A 61 61 ILE H H 61 8.680 8.632 0.048 1 1 764 . 8 1 1 A 61 61 ILE HA H 61 4.180 4.306 -0.126 1 1 774 . 8 1 1 A 61 61 ILE C C 61 176.400 175.752 0.648 1 1 775 . 8 1 1 A 61 61 ILE CA C 61 61.800 61.789 0.011 1 1 776 . 8 1 1 A 61 61 ILE CB C 61 37.900 37.699 0.201 1 1 780 . 8 1 1 A 61 61 ILE N N 61 127.200 128.213 -1.013 1 1 781 . 8 1 1 A 62 62 VAL H H 62 8.370 8.426 -0.056 1 1 782 . 8 1 1 A 62 62 VAL HA H 62 4.140 4.544 -0.404 1 1 790 . 8 1 1 A 62 62 VAL C C 62 175.200 175.456 -0.256 1 1 791 . 8 1 1 A 62 62 VAL CA C 62 61.800 60.358 1.442 1 1 792 . 8 1 1 A 62 62 VAL CB C 62 33.200 34.345 -1.145 1 1 795 . 8 1 1 A 62 62 VAL N N 62 126.600 122.406 4.194 1 1 796 . 8 1 1 A 63 63 ASN H H 63 8.590 9.126 -0.536 1 1 797 . 8 1 1 A 63 63 ASN HA H 63 4.730 4.326 0.404 1 1 802 . 8 1 1 A 63 63 ASN C C 63 175.200 174.450 0.750 1 1 803 . 8 1 1 A 63 63 ASN CA C 63 53.200 53.926 -0.726 1 1 804 . 8 1 1 A 63 63 ASN CB C 63 39.100 37.008 2.092 1 1 806 . 8 1 1 A 63 63 ASN N N 63 123.500 120.116 3.384 1 1 808 . 8 1 1 A 64 64 GLU H H 64 8.620 7.975 0.645 1 1 809 . 8 1 1 A 64 64 GLU HA H 64 4.250 4.330 -0.080 1 1 814 . 8 1 1 A 64 64 GLU C C 64 177.000 177.233 -0.233 1 1 815 . 8 1 1 A 64 64 GLU CA C 64 57.100 57.672 -0.572 1 1 816 . 8 1 1 A 64 64 GLU CB C 64 30.400 30.416 -0.016 1 1 818 . 8 1 1 A 64 64 GLU N N 64 122.700 122.827 -0.127 1 1 819 . 8 1 1 A 65 65 GLY H H 65 8.490 8.678 -0.188 1 1 820 . 8 1 1 A 65 65 GLY HA2 H 65 3.980 4.010 -0.030 1 1 821 . 8 1 1 A 65 65 GLY HA3 H 65 3.980 4.011 -0.031 1 1 822 . 8 1 1 A 65 65 GLY C C 65 174.300 172.801 1.499 1 1 823 . 8 1 1 A 65 65 GLY CA C 65 45.500 45.595 -0.095 1 1 824 . 8 1 1 A 65 65 GLY N N 65 109.600 111.212 -1.612 1 1 825 . 8 1 1 A 66 66 SER H H 66 8.180 8.593 -0.413 1 1 826 . 8 1 1 A 66 66 SER HA H 66 4.450 4.644 -0.194 1 1 829 . 8 1 1 A 66 66 SER C C 66 174.900 175.962 -1.062 1 1 830 . 8 1 1 A 66 66 SER CA C 66 58.300 58.108 0.192 1 1 831 . 8 1 1 A 66 66 SER CB C 66 63.700 63.765 -0.065 1 1 832 . 8 1 1 A 66 66 SER N N 66 115.500 119.201 -3.701 1 1 833 . 8 1 1 A 67 67 LEU H H 67 8.300 8.871 -0.571 1 1 834 . 8 1 1 A 67 67 LEU HA H 67 4.300 4.241 0.059 1 1 844 . 8 1 1 A 67 67 LEU C C 67 177.500 176.166 1.334 1 1 845 . 8 1 1 A 67 67 LEU CA C 67 55.400 54.679 0.721 1 1 846 . 8 1 1 A 67 67 LEU CB C 67 42.200 41.800 0.400 1 1 850 . 8 1 1 A 67 67 LEU N N 67 123.800 126.788 -2.988 1 1 851 . 8 1 1 A 68 68 GLU H H 68 8.270 7.891 0.379 1 1 852 . 8 1 1 A 68 68 GLU HA H 68 4.160 4.076 0.084 1 1 857 . 8 1 1 A 68 68 GLU CA C 68 56.900 57.266 -0.366 1 1 858 . 8 1 1 A 68 68 GLU CB C 68 30.100 28.147 1.953 1 1 860 . 8 1 1 A 68 68 GLU N N 68 120.700 118.627 2.073 1 1 861 . 8 1 1 A 69 69 HIS C C 69 173.900 175.945 -2.045 1 1 862 . 8 1 1 A 70 70 HIS H H 70 8.140 7.926 0.214 1 1 863 . 8 1 1 A 70 70 HIS CA C 70 57.200 58.499 -1.299 1 1 864 . 8 1 1 A 70 70 HIS CB C 70 30.200 30.227 -0.027 1 1 14 . 9 1 1 A 2 2 GLN H H 2 9.330 8.965 0.365 1 1 15 . 9 1 1 A 2 2 GLN HA H 2 5.000 5.006 -0.006 1 1 22 . 9 1 1 A 2 2 GLN C C 2 174.500 175.006 -0.506 1 1 23 . 9 1 1 A 2 2 GLN CA C 2 55.500 53.950 1.550 1 1 24 . 9 1 1 A 2 2 GLN CB C 2 31.700 32.525 -0.825 1 1 26 . 9 1 1 A 2 2 GLN N N 2 125.400 126.366 -0.966 1 1 28 . 9 1 1 A 3 3 GLY H H 3 8.860 9.032 -0.172 1 1 29 . 9 1 1 A 3 3 GLY HA2 H 3 3.070 4.128 -1.058 1 1 30 . 9 1 1 A 3 3 GLY HA3 H 3 5.250 4.131 1.119 1 1 31 . 9 1 1 A 3 3 GLY C C 3 171.800 172.538 -0.738 1 1 32 . 9 1 1 A 3 3 GLY CA C 3 44.300 44.409 -0.109 1 1 33 . 9 1 1 A 3 3 GLY N N 3 108.200 113.312 -5.112 1 1 34 . 9 1 1 A 4 4 VAL H H 4 9.060 8.633 0.427 1 1 35 . 9 1 1 A 4 4 VAL HA H 4 5.080 4.920 0.160 1 1 43 . 9 1 1 A 4 4 VAL C C 4 174.500 174.697 -0.197 1 1 44 . 9 1 1 A 4 4 VAL CA C 4 59.800 60.554 -0.754 1 1 45 . 9 1 1 A 4 4 VAL CB C 4 35.300 35.299 0.001 1 1 48 . 9 1 1 A 4 4 VAL N N 4 120.200 121.910 -1.710 1 1 49 . 9 1 1 A 5 5 VAL H H 5 8.750 8.671 0.079 1 1 50 . 9 1 1 A 5 5 VAL HA H 5 4.190 4.415 -0.225 1 1 58 . 9 1 1 A 5 5 VAL C C 5 175.800 175.306 0.494 1 1 59 . 9 1 1 A 5 5 VAL CA C 5 62.800 61.989 0.811 1 1 60 . 9 1 1 A 5 5 VAL CB C 5 31.900 32.088 -0.188 1 1 63 . 9 1 1 A 5 5 VAL N N 5 128.600 128.132 0.468 1 1 64 . 9 1 1 A 6 6 LYS H H 6 8.830 8.296 0.534 1 1 65 . 9 1 1 A 6 6 LYS HA H 6 5.250 5.013 0.237 1 1 74 . 9 1 1 A 6 6 LYS C C 6 174.800 175.002 -0.202 1 1 75 . 9 1 1 A 6 6 LYS CA C 6 54.300 55.179 -0.879 1 1 76 . 9 1 1 A 6 6 LYS CB C 6 33.200 33.934 -0.734 1 1 80 . 9 1 1 A 6 6 LYS N N 6 131.400 127.194 4.206 1 1 81 . 9 1 1 A 7 7 VAL H H 7 8.270 8.437 -0.167 1 1 82 . 9 1 1 A 7 7 VAL HA H 7 4.640 4.778 -0.138 1 1 90 . 9 1 1 A 7 7 VAL C C 7 173.400 175.372 -1.972 1 1 91 . 9 1 1 A 7 7 VAL CA C 7 59.700 60.271 -0.571 1 1 92 . 9 1 1 A 7 7 VAL CB C 7 35.400 35.076 0.324 1 1 95 . 9 1 1 A 7 7 VAL N N 7 119.000 122.996 -3.996 1 1 96 . 9 1 1 A 8 8 ASN H H 8 8.560 8.577 -0.017 1 1 97 . 9 1 1 A 8 8 ASN HA H 8 4.690 4.597 0.093 1 1 102 . 9 1 1 A 8 8 ASN C C 8 175.600 175.743 -0.143 1 1 103 . 9 1 1 A 8 8 ASN CA C 8 54.500 56.310 -1.810 1 1 104 . 9 1 1 A 8 8 ASN CB C 8 38.700 39.648 -0.948 1 1 106 . 9 1 1 A 8 8 ASN N N 8 120.700 124.461 -3.761 1 1 108 . 9 1 1 A 9 9 SER H H 9 7.630 7.780 -0.150 1 1 109 . 9 1 1 A 9 9 SER HA H 9 4.450 4.698 -0.248 1 1 112 . 9 1 1 A 9 9 SER C C 9 172.800 174.734 -1.934 1 1 113 . 9 1 1 A 9 9 SER CA C 9 58.100 56.726 1.374 1 1 114 . 9 1 1 A 9 9 SER CB C 9 63.500 65.489 -1.989 1 1 115 . 9 1 1 A 9 9 SER N N 9 112.800 112.485 0.315 1 1 116 . 9 1 1 A 10 10 ALA H H 10 8.330 8.350 -0.020 1 1 117 . 9 1 1 A 10 10 ALA HA H 10 4.530 4.383 0.147 1 1 121 . 9 1 1 A 10 10 ALA C C 10 175.300 176.864 -1.564 1 1 122 . 9 1 1 A 10 10 ALA CA C 10 52.400 52.366 0.034 1 1 123 . 9 1 1 A 10 10 ALA CB C 10 20.900 19.339 1.561 1 1 124 . 9 1 1 A 10 10 ALA N N 10 123.900 123.931 -0.031 1 1 125 . 9 1 1 A 11 11 LEU H H 11 8.930 8.623 0.307 1 1 126 . 9 1 1 A 11 11 LEU HA H 11 4.530 5.108 -0.578 1 1 136 . 9 1 1 A 11 11 LEU C C 11 175.300 175.443 -0.143 1 1 137 . 9 1 1 A 11 11 LEU CA C 11 52.600 53.231 -0.631 1 1 138 . 9 1 1 A 11 11 LEU CB C 11 45.900 45.057 0.843 1 1 142 . 9 1 1 A 11 11 LEU N N 11 123.600 123.952 -0.352 1 1 143 . 9 1 1 A 12 12 ASN H H 12 8.800 8.665 0.135 1 1 144 . 9 1 1 A 12 12 ASN HA H 12 5.030 4.809 0.221 1 1 149 . 9 1 1 A 12 12 ASN C C 12 174.000 175.144 -1.144 1 1 150 . 9 1 1 A 12 12 ASN CA C 12 53.800 53.284 0.516 1 1 151 . 9 1 1 A 12 12 ASN CB C 12 39.500 39.408 0.092 1 1 153 . 9 1 1 A 12 12 ASN N N 12 123.600 124.628 -1.028 1 1 155 . 9 1 1 A 13 13 MET H H 13 8.630 8.772 -0.142 1 1 156 . 9 1 1 A 13 13 MET HA H 13 4.970 5.144 -0.174 1 1 164 . 9 1 1 A 13 13 MET C C 13 176.000 175.611 0.389 1 1 165 . 9 1 1 A 13 13 MET CA C 13 54.900 54.149 0.751 1 1 166 . 9 1 1 A 13 13 MET CB C 13 35.200 35.248 -0.048 1 1 169 . 9 1 1 A 13 13 MET N N 13 122.600 123.606 -1.006 1 1 170 . 9 1 1 A 14 14 ARG H H 14 9.730 8.491 1.239 1 1 171 . 9 1 1 A 14 14 ARG HA H 14 5.760 4.876 0.884 1 1 178 . 9 1 1 A 14 14 ARG C C 14 177.700 176.743 0.957 1 1 179 . 9 1 1 A 14 14 ARG CA C 14 54.900 54.370 0.530 1 1 180 . 9 1 1 A 14 14 ARG CB C 14 34.600 33.280 1.320 1 1 183 . 9 1 1 A 14 14 ARG N N 14 125.200 125.410 -0.210 1 1 184 . 9 1 1 A 15 15 SER H H 15 9.010 8.914 0.096 1 1 185 . 9 1 1 A 15 15 SER HA H 15 4.580 4.445 0.135 1 1 188 . 9 1 1 A 15 15 SER C C 15 173.100 174.490 -1.390 1 1 189 . 9 1 1 A 15 15 SER CA C 15 59.100 59.252 -0.152 1 1 190 . 9 1 1 A 15 15 SER CB C 15 63.600 63.814 -0.214 1 1 191 . 9 1 1 A 15 15 SER N N 15 113.600 115.330 -1.730 1 1 192 . 9 1 1 A 16 16 GLY H H 16 6.940 7.323 -0.383 1 1 193 . 9 1 1 A 16 16 GLY HA2 H 16 1.050 3.104 -2.054 1 1 194 . 9 1 1 A 16 16 GLY HA3 H 16 3.010 3.132 -0.122 1 1 195 . 9 1 1 A 16 16 GLY CA C 16 43.700 44.510 -0.810 1 1 196 . 9 1 1 A 16 16 GLY N N 16 109.500 108.156 1.344 1 1 197 . 9 1 1 A 17 17 PRO HA H 17 3.070 3.033 0.037 1 1 204 . 9 1 1 A 17 17 PRO C C 17 172.400 175.304 -2.904 1 1 205 . 9 1 1 A 17 17 PRO CA C 17 60.200 61.300 -1.100 1 1 206 . 9 1 1 A 17 17 PRO CB C 17 28.300 28.819 -0.519 1 1 209 . 9 1 1 A 18 18 GLY H H 18 6.650 6.996 -0.346 1 1 210 . 9 1 1 A 18 18 GLY HA2 H 18 3.630 4.066 -0.436 1 1 211 . 9 1 1 A 18 18 GLY HA3 H 18 4.010 4.181 -0.171 1 1 212 . 9 1 1 A 18 18 GLY C C 18 173.200 174.370 -1.170 1 1 213 . 9 1 1 A 18 18 GLY CA C 18 46.200 45.606 0.594 1 1 214 . 9 1 1 A 18 18 GLY N N 18 110.400 109.669 0.731 1 1 215 . 9 1 1 A 19 19 SER H H 19 8.960 8.910 0.050 1 1 216 . 9 1 1 A 19 19 SER HA H 19 4.200 4.352 -0.152 1 1 219 . 9 1 1 A 19 19 SER C C 19 173.600 175.204 -1.604 1 1 220 . 9 1 1 A 19 19 SER CA C 19 60.600 61.106 -0.506 1 1 221 . 9 1 1 A 19 19 SER CB C 19 63.200 63.462 -0.262 1 1 222 . 9 1 1 A 19 19 SER N N 19 115.800 116.768 -0.968 1 1 223 . 9 1 1 A 20 20 ASN H H 20 8.720 8.694 0.026 1 1 224 . 9 1 1 A 20 20 ASN HA H 20 4.560 4.518 0.042 1 1 229 . 9 1 1 A 20 20 ASN C C 20 175.300 175.337 -0.037 1 1 230 . 9 1 1 A 20 20 ASN CA C 20 53.300 54.095 -0.795 1 1 231 . 9 1 1 A 20 20 ASN CB C 20 37.300 36.878 0.422 1 1 233 . 9 1 1 A 20 20 ASN N N 20 115.000 119.691 -4.691 1 1 235 . 9 1 1 A 21 21 TYR H H 21 7.040 7.519 -0.479 1 1 236 . 9 1 1 A 21 21 TYR HA H 21 4.290 4.577 -0.287 1 1 243 . 9 1 1 A 21 21 TYR C C 21 175.700 176.227 -0.527 1 1 244 . 9 1 1 A 21 21 TYR CA C 21 58.800 58.002 0.798 1 1 245 . 9 1 1 A 21 21 TYR CB C 21 39.400 38.517 0.883 1 1 250 . 9 1 1 A 21 21 TYR N N 21 119.200 117.522 1.678 1 1 251 . 9 1 1 A 22 22 GLY H H 22 8.450 7.498 0.952 1 1 252 . 9 1 1 A 22 22 GLY HA2 H 22 3.820 4.076 -0.256 1 1 253 . 9 1 1 A 22 22 GLY HA3 H 22 4.090 4.084 0.006 1 1 254 . 9 1 1 A 22 22 GLY C C 22 172.700 172.881 -0.181 1 1 255 . 9 1 1 A 22 22 GLY CA C 22 45.300 44.879 0.421 1 1 256 . 9 1 1 A 22 22 GLY N N 22 107.800 108.341 -0.541 1 1 257 . 9 1 1 A 23 23 VAL H H 23 8.470 8.327 0.143 1 1 258 . 9 1 1 A 23 23 VAL HA H 23 4.320 5.026 -0.706 1 1 266 . 9 1 1 A 23 23 VAL C C 23 178.000 175.534 2.466 1 1 267 . 9 1 1 A 23 23 VAL CA C 23 63.700 60.285 3.415 1 1 268 . 9 1 1 A 23 23 VAL CB C 23 32.700 34.095 -1.395 1 1 271 . 9 1 1 A 23 23 VAL N N 23 120.200 119.128 1.072 1 1 272 . 9 1 1 A 24 24 ILE H H 24 9.120 8.730 0.390 1 1 273 . 9 1 1 A 24 24 ILE HA H 24 4.740 4.700 0.040 1 1 283 . 9 1 1 A 24 24 ILE C C 24 175.300 176.098 -0.798 1 1 284 . 9 1 1 A 24 24 ILE CA C 24 60.500 61.109 -0.609 1 1 285 . 9 1 1 A 24 24 ILE CB C 24 39.900 39.244 0.656 1 1 289 . 9 1 1 A 24 24 ILE N N 24 120.900 129.650 -8.750 1 1 290 . 9 1 1 A 25 25 GLY H H 25 7.770 7.507 0.263 1 1 291 . 9 1 1 A 25 25 GLY HA2 H 25 4.130 4.090 0.040 1 1 292 . 9 1 1 A 25 25 GLY HA3 H 25 4.310 4.091 0.219 1 1 293 . 9 1 1 A 25 25 GLY C C 25 171.100 171.433 -0.333 1 1 294 . 9 1 1 A 25 25 GLY CA C 25 45.500 45.963 -0.463 1 1 295 . 9 1 1 A 25 25 GLY N N 25 109.200 107.702 1.498 1 1 296 . 9 1 1 A 26 26 THR H H 26 8.440 8.451 -0.011 1 1 297 . 9 1 1 A 26 26 THR HA H 26 5.080 5.270 -0.190 1 1 302 . 9 1 1 A 26 26 THR C C 26 173.000 173.475 -0.475 1 1 303 . 9 1 1 A 26 26 THR CA C 26 61.400 59.618 1.782 1 1 304 . 9 1 1 A 26 26 THR CB C 26 72.200 72.010 0.190 1 1 306 . 9 1 1 A 26 26 THR N N 26 113.900 112.113 1.787 1 1 307 . 9 1 1 A 27 27 LEU H H 27 9.180 9.197 -0.017 1 1 308 . 9 1 1 A 27 27 LEU HA H 27 4.480 5.015 -0.535 1 1 318 . 9 1 1 A 27 27 LEU C C 27 174.900 175.723 -0.823 1 1 319 . 9 1 1 A 27 27 LEU CA C 27 53.400 53.418 -0.018 1 1 320 . 9 1 1 A 27 27 LEU CB C 27 45.000 45.164 -0.164 1 1 324 . 9 1 1 A 27 27 LEU N N 27 125.600 124.170 1.430 1 1 325 . 9 1 1 A 28 28 ARG H H 28 9.280 9.410 -0.130 1 1 326 . 9 1 1 A 28 28 ARG HA H 28 4.510 4.699 -0.189 1 1 333 . 9 1 1 A 28 28 ARG C C 28 175.300 176.310 -1.010 1 1 334 . 9 1 1 A 28 28 ARG CA C 28 53.300 53.988 -0.688 1 1 335 . 9 1 1 A 28 28 ARG CB C 28 33.100 32.668 0.432 1 1 338 . 9 1 1 A 28 28 ARG N N 28 120.600 121.736 -1.136 1 1 339 . 9 1 1 A 29 29 ASN H H 29 8.360 8.847 -0.487 1 1 340 . 9 1 1 A 29 29 ASN HA H 29 4.070 4.487 -0.417 1 1 345 . 9 1 1 A 29 29 ASN C C 29 176.500 175.848 0.652 1 1 346 . 9 1 1 A 29 29 ASN CA C 29 56.100 53.896 2.204 1 1 347 . 9 1 1 A 29 29 ASN CB C 29 39.300 39.019 0.281 1 1 349 . 9 1 1 A 29 29 ASN N N 29 117.200 119.284 -2.084 1 1 351 . 9 1 1 A 30 30 ASN H H 30 9.290 8.798 0.492 1 1 352 . 9 1 1 A 30 30 ASN HA H 30 4.300 4.288 0.012 1 1 357 . 9 1 1 A 30 30 ASN C C 30 175.100 174.393 0.707 1 1 358 . 9 1 1 A 30 30 ASN CA C 30 55.500 54.273 1.227 1 1 359 . 9 1 1 A 30 30 ASN CB C 30 37.300 37.226 0.074 1 1 361 . 9 1 1 A 30 30 ASN N N 30 118.900 115.900 3.000 1 1 363 . 9 1 1 A 31 31 ASP H H 31 8.210 8.076 0.134 1 1 364 . 9 1 1 A 31 31 ASP HA H 31 4.700 4.706 -0.006 1 1 367 . 9 1 1 A 31 31 ASP C C 31 175.300 175.792 -0.492 1 1 368 . 9 1 1 A 31 31 ASP CA C 31 56.500 54.428 2.072 1 1 369 . 9 1 1 A 31 31 ASP CB C 31 41.200 41.551 -0.351 1 1 370 . 9 1 1 A 31 31 ASP N N 31 122.300 118.363 3.937 1 1 371 . 9 1 1 A 32 32 LYS H H 32 8.510 8.543 -0.033 1 1 372 . 9 1 1 A 32 32 LYS HA H 32 5.140 4.973 0.167 1 1 381 . 9 1 1 A 32 32 LYS C C 32 176.600 175.810 0.790 1 1 382 . 9 1 1 A 32 32 LYS CA C 32 55.400 55.405 -0.005 1 1 383 . 9 1 1 A 32 32 LYS CB C 32 33.500 33.798 -0.298 1 1 387 . 9 1 1 A 32 32 LYS N N 32 121.500 122.734 -1.234 1 1 388 . 9 1 1 A 33 33 VAL H H 33 8.650 8.767 -0.117 1 1 389 . 9 1 1 A 33 33 VAL HA H 33 5.020 4.953 0.067 1 1 397 . 9 1 1 A 33 33 VAL C C 33 174.200 173.722 0.478 1 1 398 . 9 1 1 A 33 33 VAL CA C 33 58.200 58.700 -0.500 1 1 399 . 9 1 1 A 33 33 VAL CB C 33 34.900 35.938 -1.038 1 1 402 . 9 1 1 A 33 33 VAL N N 33 113.500 117.640 -4.140 1 1 403 . 9 1 1 A 34 34 GLU H H 34 8.070 8.754 -0.684 1 1 404 . 9 1 1 A 34 34 GLU HA H 34 4.780 5.002 -0.222 1 1 409 . 9 1 1 A 34 34 GLU C C 34 176.000 175.576 0.424 1 1 410 . 9 1 1 A 34 34 GLU CA C 34 55.000 55.331 -0.331 1 1 411 . 9 1 1 A 34 34 GLU CB C 34 31.400 31.550 -0.150 1 1 413 . 9 1 1 A 34 34 GLU N N 34 122.300 122.158 0.142 1 1 414 . 9 1 1 A 35 35 ILE H H 35 8.610 8.971 -0.361 1 1 415 . 9 1 1 A 35 35 ILE HA H 35 4.100 4.659 -0.559 1 1 425 . 9 1 1 A 35 35 ILE C C 35 175.600 175.459 0.141 1 1 426 . 9 1 1 A 35 35 ILE CA C 35 61.200 60.668 0.532 1 1 427 . 9 1 1 A 35 35 ILE CB C 35 38.800 37.647 1.153 1 1 431 . 9 1 1 A 35 35 ILE N N 35 125.500 126.939 -1.439 1 1 432 . 9 1 1 A 36 36 ILE H H 36 9.450 8.873 0.577 1 1 433 . 9 1 1 A 36 36 ILE HA H 36 3.990 3.898 0.092 1 1 443 . 9 1 1 A 36 36 ILE C C 36 176.500 176.310 0.190 1 1 444 . 9 1 1 A 36 36 ILE CA C 36 63.100 63.870 -0.770 1 1 445 . 9 1 1 A 36 36 ILE CB C 36 38.800 38.132 0.668 1 1 449 . 9 1 1 A 36 36 ILE N N 36 129.500 129.503 -0.003 1 1 450 . 9 1 1 A 37 37 LYS H H 37 7.630 7.576 0.054 1 1 451 . 9 1 1 A 37 37 LYS HA H 37 4.670 4.713 -0.043 1 1 460 . 9 1 1 A 37 37 LYS C C 37 173.100 173.807 -0.707 1 1 461 . 9 1 1 A 37 37 LYS CA C 37 55.700 55.080 0.620 1 1 462 . 9 1 1 A 37 37 LYS CB C 37 34.700 34.474 0.226 1 1 466 . 9 1 1 A 37 37 LYS N N 37 113.300 114.678 -1.378 1 1 467 . 9 1 1 A 38 38 GLU H H 38 8.800 8.875 -0.075 1 1 468 . 9 1 1 A 38 38 GLU HA H 38 5.360 5.288 0.072 1 1 473 . 9 1 1 A 38 38 GLU C C 38 175.300 175.172 0.128 1 1 474 . 9 1 1 A 38 38 GLU CA C 38 55.400 54.889 0.511 1 1 475 . 9 1 1 A 38 38 GLU CB C 38 32.500 32.747 -0.247 1 1 477 . 9 1 1 A 38 38 GLU N N 38 122.000 121.772 0.228 1 1 478 . 9 1 1 A 39 39 VAL H H 39 9.550 9.047 0.503 1 1 479 . 9 1 1 A 39 39 VAL HA H 39 4.360 4.539 -0.179 1 1 487 . 9 1 1 A 39 39 VAL C C 39 174.500 175.618 -1.118 1 1 488 . 9 1 1 A 39 39 VAL CA C 39 61.600 61.122 0.478 1 1 489 . 9 1 1 A 39 39 VAL CB C 39 34.400 34.411 -0.011 1 1 492 . 9 1 1 A 39 39 VAL N N 39 126.000 125.863 0.137 1 1 493 . 9 1 1 A 40 40 ASP H H 40 8.960 9.444 -0.484 1 1 494 . 9 1 1 A 40 40 ASP HA H 40 4.340 4.373 -0.033 1 1 497 . 9 1 1 A 40 40 ASP C C 40 175.800 176.270 -0.470 1 1 498 . 9 1 1 A 40 40 ASP CA C 40 55.900 55.665 0.235 1 1 499 . 9 1 1 A 40 40 ASP CB C 40 40.700 39.508 1.192 1 1 500 . 9 1 1 A 40 40 ASP N N 40 125.700 128.901 -3.201 1 1 501 . 9 1 1 A 41 41 GLY H H 41 8.870 8.222 0.648 1 1 502 . 9 1 1 A 41 41 GLY HA2 H 41 3.510 3.708 -0.198 1 1 503 . 9 1 1 A 41 41 GLY HA3 H 41 4.190 3.789 0.401 1 1 504 . 9 1 1 A 41 41 GLY C C 41 173.900 173.945 -0.045 1 1 505 . 9 1 1 A 41 41 GLY CA C 41 45.700 45.334 0.366 1 1 506 . 9 1 1 A 41 41 GLY N N 41 105.500 104.684 0.816 1 1 507 . 9 1 1 A 42 42 TRP H H 42 8.580 8.221 0.359 1 1 508 . 9 1 1 A 42 42 TRP HA H 42 4.700 4.577 0.123 1 1 517 . 9 1 1 A 42 42 TRP C C 42 175.300 175.690 -0.390 1 1 518 . 9 1 1 A 42 42 TRP CA C 42 56.300 57.543 -1.243 1 1 519 . 9 1 1 A 42 42 TRP CB C 42 31.300 30.493 0.807 1 1 525 . 9 1 1 A 42 42 TRP N N 42 122.900 120.974 1.926 1 1 527 . 9 1 1 A 43 43 TYR H H 43 9.400 8.472 0.928 1 1 528 . 9 1 1 A 43 43 TYR HA H 43 5.630 5.155 0.475 1 1 535 . 9 1 1 A 43 43 TYR C C 43 175.800 175.821 -0.021 1 1 536 . 9 1 1 A 43 43 TYR CA C 43 55.900 57.282 -1.382 1 1 537 . 9 1 1 A 43 43 TYR CB C 43 40.200 40.111 0.089 1 1 542 . 9 1 1 A 43 43 TYR N N 43 119.000 122.238 -3.238 1 1 543 . 9 1 1 A 44 44 GLU H H 44 9.110 9.168 -0.058 1 1 544 . 9 1 1 A 44 44 GLU HA H 44 4.040 4.122 -0.082 1 1 549 . 9 1 1 A 44 44 GLU C C 44 175.500 176.028 -0.528 1 1 550 . 9 1 1 A 44 44 GLU CA C 44 55.500 56.238 -0.738 1 1 551 . 9 1 1 A 44 44 GLU CB C 44 31.200 30.522 0.678 1 1 553 . 9 1 1 A 44 44 GLU N N 44 125.600 124.631 0.969 1 1 554 . 9 1 1 A 45 45 ILE H H 45 9.300 8.426 0.874 1 1 555 . 9 1 1 A 45 45 ILE HA H 45 5.550 5.053 0.497 1 1 565 . 9 1 1 A 45 45 ILE C C 45 173.700 173.525 0.175 1 1 566 . 9 1 1 A 45 45 ILE CA C 45 58.300 58.746 -0.446 1 1 567 . 9 1 1 A 45 45 ILE CB C 45 43.200 42.371 0.829 1 1 571 . 9 1 1 A 45 45 ILE N N 45 122.700 120.071 2.629 1 1 572 . 9 1 1 A 46 46 ARG H H 46 8.730 8.448 0.282 1 1 573 . 9 1 1 A 46 46 ARG HA H 46 5.310 5.510 -0.200 1 1 580 . 9 1 1 A 46 46 ARG C C 46 176.400 174.618 1.782 1 1 581 . 9 1 1 A 46 46 ARG CA C 46 54.400 54.282 0.118 1 1 582 . 9 1 1 A 46 46 ARG CB C 46 33.600 33.374 0.226 1 1 585 . 9 1 1 A 46 46 ARG N N 46 118.900 123.163 -4.263 1 1 586 . 9 1 1 A 47 47 PHE H H 47 9.080 9.420 -0.340 1 1 587 . 9 1 1 A 47 47 PHE HA H 47 4.850 4.862 -0.012 1 1 595 . 9 1 1 A 47 47 PHE C C 47 174.500 174.674 -0.174 1 1 596 . 9 1 1 A 47 47 PHE CA C 47 57.300 57.709 -0.409 1 1 597 . 9 1 1 A 47 47 PHE CB C 47 42.500 42.710 -0.210 1 1 603 . 9 1 1 A 47 47 PHE N N 47 126.500 127.293 -0.793 1 1 604 . 9 1 1 A 48 48 ASN H H 48 9.140 8.858 0.282 1 1 605 . 9 1 1 A 48 48 ASN HA H 48 4.080 4.129 -0.049 1 1 610 . 9 1 1 A 48 48 ASN C C 48 175.100 174.713 0.387 1 1 611 . 9 1 1 A 48 48 ASN CA C 48 53.500 53.728 -0.228 1 1 612 . 9 1 1 A 48 48 ASN CB C 48 37.100 37.160 -0.060 1 1 614 . 9 1 1 A 48 48 ASN N N 48 128.500 125.559 2.941 1 1 616 . 9 1 1 A 49 49 GLY H H 49 8.600 8.564 0.036 1 1 617 . 9 1 1 A 49 49 GLY HA2 H 49 3.510 3.844 -0.334 1 1 618 . 9 1 1 A 49 49 GLY HA3 H 49 4.110 3.847 0.263 1 1 619 . 9 1 1 A 49 49 GLY C C 49 173.600 173.632 -0.032 1 1 620 . 9 1 1 A 49 49 GLY CA C 49 45.600 45.469 0.131 1 1 621 . 9 1 1 A 49 49 GLY N N 49 103.100 103.647 -0.547 1 1 622 . 9 1 1 A 50 50 LYS H H 50 7.850 7.930 -0.080 1 1 623 . 9 1 1 A 50 50 LYS HA H 50 4.620 4.713 -0.093 1 1 632 . 9 1 1 A 50 50 LYS C C 50 174.600 175.048 -0.448 1 1 633 . 9 1 1 A 50 50 LYS CA C 50 54.900 54.842 0.058 1 1 634 . 9 1 1 A 50 50 LYS CB C 50 35.100 35.102 -0.002 1 1 638 . 9 1 1 A 50 50 LYS N N 50 121.700 121.291 0.409 1 1 639 . 9 1 1 A 51 51 VAL H H 51 8.120 8.650 -0.530 1 1 640 . 9 1 1 A 51 51 VAL HA H 51 5.100 5.047 0.053 1 1 648 . 9 1 1 A 51 51 VAL C C 51 176.100 175.585 0.515 1 1 649 . 9 1 1 A 51 51 VAL CA C 51 60.700 60.326 0.374 1 1 650 . 9 1 1 A 51 51 VAL CB C 51 33.400 34.076 -0.676 1 1 653 . 9 1 1 A 51 51 VAL N N 51 122.100 124.958 -2.858 1 1 654 . 9 1 1 A 52 52 GLY H H 52 8.430 8.130 0.300 1 1 655 . 9 1 1 A 52 52 GLY HA2 H 52 3.760 4.297 -0.537 1 1 656 . 9 1 1 A 52 52 GLY HA3 H 52 4.230 4.351 -0.121 1 1 657 . 9 1 1 A 52 52 GLY C C 52 170.300 171.676 -1.376 1 1 658 . 9 1 1 A 52 52 GLY CA C 52 45.600 45.654 -0.054 1 1 659 . 9 1 1 A 52 52 GLY N N 52 113.100 112.786 0.314 1 1 660 . 9 1 1 A 53 53 TYR H H 53 9.260 8.633 0.627 1 1 661 . 9 1 1 A 53 53 TYR HA H 53 5.990 5.711 0.279 1 1 668 . 9 1 1 A 53 53 TYR C C 53 175.700 174.910 0.790 1 1 669 . 9 1 1 A 53 53 TYR CA C 53 56.800 56.731 0.069 1 1 670 . 9 1 1 A 53 53 TYR CB C 53 42.800 43.332 -0.532 1 1 675 . 9 1 1 A 53 53 TYR N N 53 118.000 118.875 -0.875 1 1 676 . 9 1 1 A 54 54 ALA H H 54 9.210 8.546 0.664 1 1 677 . 9 1 1 A 54 54 ALA HA H 54 5.280 5.287 -0.007 1 1 681 . 9 1 1 A 54 54 ALA C C 54 175.800 176.065 -0.265 1 1 682 . 9 1 1 A 54 54 ALA CA C 54 50.900 51.115 -0.215 1 1 683 . 9 1 1 A 54 54 ALA CB C 54 23.800 23.534 0.266 1 1 684 . 9 1 1 A 54 54 ALA N N 54 122.000 122.573 -0.573 1 1 685 . 9 1 1 A 55 55 SER H H 55 8.620 8.777 -0.157 1 1 686 . 9 1 1 A 55 55 SER HA H 55 3.270 3.870 -0.600 1 1 689 . 9 1 1 A 55 55 SER C C 55 175.400 175.842 -0.442 1 1 690 . 9 1 1 A 55 55 SER CA C 55 59.100 58.882 0.218 1 1 691 . 9 1 1 A 55 55 SER CB C 55 63.200 63.519 -0.319 1 1 692 . 9 1 1 A 55 55 SER N N 55 117.400 115.762 1.638 1 1 693 . 9 1 1 A 56 56 LYS H H 56 7.630 8.516 -0.886 1 1 694 . 9 1 1 A 56 56 LYS HA H 56 3.750 4.222 -0.472 1 1 703 . 9 1 1 A 56 56 LYS C C 56 177.100 178.323 -1.223 1 1 704 . 9 1 1 A 56 56 LYS CA C 56 58.600 59.079 -0.479 1 1 705 . 9 1 1 A 56 56 LYS CB C 56 32.300 32.179 0.121 1 1 709 . 9 1 1 A 56 56 LYS N N 56 124.500 124.180 0.320 1 1 710 . 9 1 1 A 57 57 SER H H 57 7.670 8.032 -0.362 1 1 711 . 9 1 1 A 57 57 SER HA H 57 3.930 4.049 -0.119 1 1 714 . 9 1 1 A 57 57 SER C C 57 174.100 175.236 -1.136 1 1 715 . 9 1 1 A 57 57 SER CA C 57 60.700 62.406 -1.706 1 1 716 . 9 1 1 A 57 57 SER CB C 57 62.800 63.202 -0.402 1 1 717 . 9 1 1 A 57 57 SER N N 57 112.000 117.256 -5.256 1 1 718 . 9 1 1 A 58 58 TYR H H 58 6.990 7.734 -0.744 1 1 719 . 9 1 1 A 58 58 TYR HA H 58 4.800 4.662 0.138 1 1 726 . 9 1 1 A 58 58 TYR C C 58 173.300 174.705 -1.405 1 1 727 . 9 1 1 A 58 58 TYR CA C 58 57.400 58.383 -0.983 1 1 728 . 9 1 1 A 58 58 TYR CB C 58 40.500 38.847 1.653 1 1 733 . 9 1 1 A 58 58 TYR N N 58 116.100 117.679 -1.579 1 1 734 . 9 1 1 A 59 59 ILE H H 59 7.300 7.385 -0.085 1 1 735 . 9 1 1 A 59 59 ILE HA H 59 4.790 4.741 0.049 1 1 745 . 9 1 1 A 59 59 ILE C C 59 174.500 174.372 0.128 1 1 746 . 9 1 1 A 59 59 ILE CA C 59 59.300 60.179 -0.879 1 1 747 . 9 1 1 A 59 59 ILE CB C 59 40.800 40.258 0.542 1 1 751 . 9 1 1 A 59 59 ILE N N 59 119.000 120.497 -1.497 1 1 752 . 9 1 1 A 60 60 THR H H 60 8.980 8.796 0.184 1 1 753 . 9 1 1 A 60 60 THR HA H 60 4.580 4.897 -0.317 1 1 758 . 9 1 1 A 60 60 THR C C 60 173.800 173.180 0.620 1 1 759 . 9 1 1 A 60 60 THR CA C 60 60.800 61.807 -1.007 1 1 760 . 9 1 1 A 60 60 THR CB C 60 71.100 70.480 0.620 1 1 762 . 9 1 1 A 60 60 THR N N 60 123.600 123.935 -0.335 1 1 763 . 9 1 1 A 61 61 ILE H H 61 8.680 8.815 -0.135 1 1 764 . 9 1 1 A 61 61 ILE HA H 61 4.180 4.464 -0.284 1 1 774 . 9 1 1 A 61 61 ILE C C 61 176.400 176.208 0.192 1 1 775 . 9 1 1 A 61 61 ILE CA C 61 61.800 59.404 2.396 1 1 776 . 9 1 1 A 61 61 ILE CB C 61 37.900 37.990 -0.090 1 1 780 . 9 1 1 A 61 61 ILE N N 61 127.200 128.814 -1.614 1 1 781 . 9 1 1 A 62 62 VAL H H 62 8.370 8.488 -0.118 1 1 782 . 9 1 1 A 62 62 VAL HA H 62 4.140 4.147 -0.007 1 1 790 . 9 1 1 A 62 62 VAL C C 62 175.200 175.598 -0.398 1 1 791 . 9 1 1 A 62 62 VAL CA C 62 61.800 62.018 -0.218 1 1 792 . 9 1 1 A 62 62 VAL CB C 62 33.200 32.471 0.729 1 1 795 . 9 1 1 A 62 62 VAL N N 62 126.600 126.857 -0.257 1 1 796 . 9 1 1 A 63 63 ASN H H 63 8.590 9.048 -0.458 1 1 797 . 9 1 1 A 63 63 ASN HA H 63 4.730 4.371 0.359 1 1 802 . 9 1 1 A 63 63 ASN C C 63 175.200 174.950 0.250 1 1 803 . 9 1 1 A 63 63 ASN CA C 63 53.200 54.348 -1.148 1 1 804 . 9 1 1 A 63 63 ASN CB C 63 39.100 36.403 2.697 1 1 806 . 9 1 1 A 63 63 ASN N N 63 123.500 118.118 5.382 1 1 808 . 9 1 1 A 64 64 GLU H H 64 8.620 8.010 0.610 1 1 809 . 9 1 1 A 64 64 GLU HA H 64 4.250 4.288 -0.038 1 1 814 . 9 1 1 A 64 64 GLU C C 64 177.000 176.971 0.029 1 1 815 . 9 1 1 A 64 64 GLU CA C 64 57.100 57.342 -0.242 1 1 816 . 9 1 1 A 64 64 GLU CB C 64 30.400 30.764 -0.364 1 1 818 . 9 1 1 A 64 64 GLU N N 64 122.700 118.208 4.492 1 1 819 . 9 1 1 A 65 65 GLY H H 65 8.490 7.483 1.007 1 1 820 . 9 1 1 A 65 65 GLY HA2 H 65 3.980 4.023 -0.043 1 1 821 . 9 1 1 A 65 65 GLY HA3 H 65 3.980 4.026 -0.046 1 1 822 . 9 1 1 A 65 65 GLY C C 65 174.300 174.415 -0.115 1 1 823 . 9 1 1 A 65 65 GLY CA C 65 45.500 45.231 0.269 1 1 824 . 9 1 1 A 65 65 GLY N N 65 109.600 107.704 1.896 1 1 825 . 9 1 1 A 66 66 SER H H 66 8.180 8.173 0.007 1 1 826 . 9 1 1 A 66 66 SER HA H 66 4.450 4.086 0.364 1 1 829 . 9 1 1 A 66 66 SER C C 66 174.900 173.555 1.345 1 1 830 . 9 1 1 A 66 66 SER CA C 66 58.300 58.948 -0.648 1 1 831 . 9 1 1 A 66 66 SER CB C 66 63.700 61.475 2.225 1 1 832 . 9 1 1 A 66 66 SER N N 66 115.500 114.226 1.274 1 1 833 . 9 1 1 A 67 67 LEU H H 67 8.300 7.993 0.307 1 1 834 . 9 1 1 A 67 67 LEU HA H 67 4.300 4.164 0.136 1 1 844 . 9 1 1 A 67 67 LEU C C 67 177.500 176.572 0.928 1 1 845 . 9 1 1 A 67 67 LEU CA C 67 55.400 55.033 0.367 1 1 846 . 9 1 1 A 67 67 LEU CB C 67 42.200 42.512 -0.312 1 1 850 . 9 1 1 A 67 67 LEU N N 67 123.800 122.940 0.860 1 1 851 . 9 1 1 A 68 68 GLU H H 68 8.270 7.946 0.324 1 1 852 . 9 1 1 A 68 68 GLU HA H 68 4.160 4.166 -0.006 1 1 857 . 9 1 1 A 68 68 GLU CA C 68 56.900 56.758 0.142 1 1 858 . 9 1 1 A 68 68 GLU CB C 68 30.100 30.161 -0.061 1 1 860 . 9 1 1 A 68 68 GLU N N 68 120.700 121.903 -1.203 1 1 861 . 9 1 1 A 69 69 HIS C C 69 173.900 175.573 -1.673 1 1 862 . 9 1 1 A 70 70 HIS H H 70 8.140 8.416 -0.276 1 1 863 . 9 1 1 A 70 70 HIS CA C 70 57.200 57.922 -0.722 1 1 864 . 9 1 1 A 70 70 HIS CB C 70 30.200 28.358 1.842 1 1 14 . 10 1 1 A 2 2 GLN H H 2 9.330 8.945 0.385 1 1 15 . 10 1 1 A 2 2 GLN HA H 2 5.000 5.151 -0.151 1 1 22 . 10 1 1 A 2 2 GLN C C 2 174.500 175.663 -1.163 1 1 23 . 10 1 1 A 2 2 GLN CA C 2 55.500 54.017 1.483 1 1 24 . 10 1 1 A 2 2 GLN CB C 2 31.700 31.430 0.270 1 1 26 . 10 1 1 A 2 2 GLN N N 2 125.400 125.472 -0.072 1 1 28 . 10 1 1 A 3 3 GLY H H 3 8.860 8.829 0.031 1 1 29 . 10 1 1 A 3 3 GLY HA2 H 3 3.070 4.026 -0.956 1 1 30 . 10 1 1 A 3 3 GLY HA3 H 3 5.250 4.043 1.207 1 1 31 . 10 1 1 A 3 3 GLY C C 3 171.800 172.748 -0.948 1 1 32 . 10 1 1 A 3 3 GLY CA C 3 44.300 44.576 -0.276 1 1 33 . 10 1 1 A 3 3 GLY N N 3 108.200 111.831 -3.631 1 1 34 . 10 1 1 A 4 4 VAL H H 4 9.060 8.495 0.565 1 1 35 . 10 1 1 A 4 4 VAL HA H 4 5.080 4.810 0.270 1 1 43 . 10 1 1 A 4 4 VAL C C 4 174.500 174.557 -0.057 1 1 44 . 10 1 1 A 4 4 VAL CA C 4 59.800 60.558 -0.758 1 1 45 . 10 1 1 A 4 4 VAL CB C 4 35.300 34.958 0.342 1 1 48 . 10 1 1 A 4 4 VAL N N 4 120.200 121.221 -1.021 1 1 49 . 10 1 1 A 5 5 VAL H H 5 8.750 9.053 -0.303 1 1 50 . 10 1 1 A 5 5 VAL HA H 5 4.190 4.627 -0.437 1 1 58 . 10 1 1 A 5 5 VAL C C 5 175.800 174.886 0.914 1 1 59 . 10 1 1 A 5 5 VAL CA C 5 62.800 61.297 1.503 1 1 60 . 10 1 1 A 5 5 VAL CB C 5 31.900 32.816 -0.916 1 1 63 . 10 1 1 A 5 5 VAL N N 5 128.600 128.204 0.396 1 1 64 . 10 1 1 A 6 6 LYS H H 6 8.830 8.555 0.275 1 1 65 . 10 1 1 A 6 6 LYS HA H 6 5.250 4.977 0.273 1 1 74 . 10 1 1 A 6 6 LYS C C 6 174.800 175.529 -0.729 1 1 75 . 10 1 1 A 6 6 LYS CA C 6 54.300 55.164 -0.864 1 1 76 . 10 1 1 A 6 6 LYS CB C 6 33.200 34.037 -0.837 1 1 80 . 10 1 1 A 6 6 LYS N N 6 131.400 127.045 4.355 1 1 81 . 10 1 1 A 7 7 VAL H H 7 8.270 8.794 -0.524 1 1 82 . 10 1 1 A 7 7 VAL HA H 7 4.640 4.765 -0.125 1 1 90 . 10 1 1 A 7 7 VAL C C 7 173.400 176.179 -2.779 1 1 91 . 10 1 1 A 7 7 VAL CA C 7 59.700 58.979 0.721 1 1 92 . 10 1 1 A 7 7 VAL CB C 7 35.400 34.968 0.432 1 1 95 . 10 1 1 A 7 7 VAL N N 7 119.000 119.125 -0.125 1 1 96 . 10 1 1 A 8 8 ASN H H 8 8.560 8.840 -0.280 1 1 97 . 10 1 1 A 8 8 ASN HA H 8 4.690 4.467 0.223 1 1 102 . 10 1 1 A 8 8 ASN C C 8 175.600 176.554 -0.954 1 1 103 . 10 1 1 A 8 8 ASN CA C 8 54.500 55.876 -1.376 1 1 104 . 10 1 1 A 8 8 ASN CB C 8 38.700 38.777 -0.077 1 1 106 . 10 1 1 A 8 8 ASN N N 8 120.700 122.537 -1.837 1 1 108 . 10 1 1 A 9 9 SER H H 9 7.630 8.096 -0.466 1 1 109 . 10 1 1 A 9 9 SER HA H 9 4.450 4.772 -0.322 1 1 112 . 10 1 1 A 9 9 SER C C 9 172.800 173.025 -0.225 1 1 113 . 10 1 1 A 9 9 SER CA C 9 58.100 59.719 -1.619 1 1 114 . 10 1 1 A 9 9 SER CB C 9 63.500 65.706 -2.206 1 1 115 . 10 1 1 A 9 9 SER N N 9 112.800 112.086 0.714 1 1 116 . 10 1 1 A 10 10 ALA H H 10 8.330 7.491 0.839 1 1 117 . 10 1 1 A 10 10 ALA HA H 10 4.530 4.900 -0.370 1 1 121 . 10 1 1 A 10 10 ALA C C 10 175.300 174.832 0.468 1 1 122 . 10 1 1 A 10 10 ALA CA C 10 52.400 51.523 0.877 1 1 123 . 10 1 1 A 10 10 ALA CB C 10 20.900 22.766 -1.866 1 1 124 . 10 1 1 A 10 10 ALA N N 10 123.900 120.717 3.183 1 1 125 . 10 1 1 A 11 11 LEU H H 11 8.930 8.733 0.197 1 1 126 . 10 1 1 A 11 11 LEU HA H 11 4.530 4.846 -0.316 1 1 136 . 10 1 1 A 11 11 LEU C C 11 175.300 175.046 0.254 1 1 137 . 10 1 1 A 11 11 LEU CA C 11 52.600 53.414 -0.814 1 1 138 . 10 1 1 A 11 11 LEU CB C 11 45.900 45.981 -0.081 1 1 142 . 10 1 1 A 11 11 LEU N N 11 123.600 122.586 1.014 1 1 143 . 10 1 1 A 12 12 ASN H H 12 8.800 8.648 0.152 1 1 144 . 10 1 1 A 12 12 ASN HA H 12 5.030 4.907 0.123 1 1 149 . 10 1 1 A 12 12 ASN C C 12 174.000 174.917 -0.917 1 1 150 . 10 1 1 A 12 12 ASN CA C 12 53.800 53.311 0.489 1 1 151 . 10 1 1 A 12 12 ASN CB C 12 39.500 39.006 0.494 1 1 153 . 10 1 1 A 12 12 ASN N N 12 123.600 124.573 -0.973 1 1 155 . 10 1 1 A 13 13 MET H H 13 8.630 9.239 -0.609 1 1 156 . 10 1 1 A 13 13 MET HA H 13 4.970 5.159 -0.189 1 1 164 . 10 1 1 A 13 13 MET C C 13 176.000 175.329 0.671 1 1 165 . 10 1 1 A 13 13 MET CA C 13 54.900 54.138 0.762 1 1 166 . 10 1 1 A 13 13 MET CB C 13 35.200 35.032 0.168 1 1 169 . 10 1 1 A 13 13 MET N N 13 122.600 124.077 -1.477 1 1 170 . 10 1 1 A 14 14 ARG H H 14 9.730 8.828 0.902 1 1 171 . 10 1 1 A 14 14 ARG HA H 14 5.760 4.756 1.004 1 1 178 . 10 1 1 A 14 14 ARG C C 14 177.700 177.184 0.516 1 1 179 . 10 1 1 A 14 14 ARG CA C 14 54.900 54.842 0.058 1 1 180 . 10 1 1 A 14 14 ARG CB C 14 34.600 32.430 2.170 1 1 183 . 10 1 1 A 14 14 ARG N N 14 125.200 125.224 -0.024 1 1 184 . 10 1 1 A 15 15 SER H H 15 9.010 8.932 0.078 1 1 185 . 10 1 1 A 15 15 SER HA H 15 4.580 4.651 -0.071 1 1 188 . 10 1 1 A 15 15 SER C C 15 173.100 174.293 -1.193 1 1 189 . 10 1 1 A 15 15 SER CA C 15 59.100 58.942 0.158 1 1 190 . 10 1 1 A 15 15 SER CB C 15 63.600 64.136 -0.536 1 1 191 . 10 1 1 A 15 15 SER N N 15 113.600 116.373 -2.773 1 1 192 . 10 1 1 A 16 16 GLY H H 16 6.940 7.379 -0.439 1 1 193 . 10 1 1 A 16 16 GLY HA2 H 16 1.050 3.087 -2.037 1 1 194 . 10 1 1 A 16 16 GLY HA3 H 16 3.010 3.159 -0.149 1 1 195 . 10 1 1 A 16 16 GLY CA C 16 43.700 44.532 -0.832 1 1 196 . 10 1 1 A 16 16 GLY N N 16 109.500 105.643 3.857 1 1 197 . 10 1 1 A 17 17 PRO HA H 17 3.070 3.537 -0.467 1 1 204 . 10 1 1 A 17 17 PRO C C 17 172.400 174.956 -2.556 1 1 205 . 10 1 1 A 17 17 PRO CA C 17 60.200 61.441 -1.241 1 1 206 . 10 1 1 A 17 17 PRO CB C 17 28.300 28.881 -0.581 1 1 209 . 10 1 1 A 18 18 GLY H H 18 6.650 6.705 -0.055 1 1 210 . 10 1 1 A 18 18 GLY HA2 H 18 3.630 3.916 -0.286 1 1 211 . 10 1 1 A 18 18 GLY HA3 H 18 4.010 4.179 -0.169 1 1 212 . 10 1 1 A 18 18 GLY C C 18 173.200 174.230 -1.030 1 1 213 . 10 1 1 A 18 18 GLY CA C 18 46.200 45.604 0.596 1 1 214 . 10 1 1 A 18 18 GLY N N 18 110.400 109.815 0.585 1 1 215 . 10 1 1 A 19 19 SER H H 19 8.960 9.142 -0.182 1 1 216 . 10 1 1 A 19 19 SER HA H 19 4.200 4.550 -0.350 1 1 219 . 10 1 1 A 19 19 SER C C 19 173.600 175.092 -1.492 1 1 220 . 10 1 1 A 19 19 SER CA C 19 60.600 59.717 0.883 1 1 221 . 10 1 1 A 19 19 SER CB C 19 63.200 63.407 -0.207 1 1 222 . 10 1 1 A 19 19 SER N N 19 115.800 117.284 -1.484 1 1 223 . 10 1 1 A 20 20 ASN H H 20 8.720 8.092 0.628 1 1 224 . 10 1 1 A 20 20 ASN HA H 20 4.560 4.650 -0.090 1 1 229 . 10 1 1 A 20 20 ASN C C 20 175.300 175.816 -0.516 1 1 230 . 10 1 1 A 20 20 ASN CA C 20 53.300 53.666 -0.366 1 1 231 . 10 1 1 A 20 20 ASN CB C 20 37.300 38.294 -0.994 1 1 233 . 10 1 1 A 20 20 ASN N N 20 115.000 119.855 -4.855 1 1 235 . 10 1 1 A 21 21 TYR H H 21 7.040 7.941 -0.901 1 1 236 . 10 1 1 A 21 21 TYR HA H 21 4.290 4.598 -0.308 1 1 243 . 10 1 1 A 21 21 TYR C C 21 175.700 176.029 -0.329 1 1 244 . 10 1 1 A 21 21 TYR CA C 21 58.800 57.916 0.884 1 1 245 . 10 1 1 A 21 21 TYR CB C 21 39.400 38.816 0.584 1 1 250 . 10 1 1 A 21 21 TYR N N 21 119.200 117.159 2.041 1 1 251 . 10 1 1 A 22 22 GLY H H 22 8.450 8.000 0.450 1 1 252 . 10 1 1 A 22 22 GLY HA2 H 22 3.820 4.115 -0.295 1 1 253 . 10 1 1 A 22 22 GLY HA3 H 22 4.090 4.116 -0.026 1 1 254 . 10 1 1 A 22 22 GLY C C 22 172.700 172.919 -0.219 1 1 255 . 10 1 1 A 22 22 GLY CA C 22 45.300 45.062 0.238 1 1 256 . 10 1 1 A 22 22 GLY N N 22 107.800 108.408 -0.608 1 1 257 . 10 1 1 A 23 23 VAL H H 23 8.470 8.358 0.112 1 1 258 . 10 1 1 A 23 23 VAL HA H 23 4.320 5.100 -0.780 1 1 266 . 10 1 1 A 23 23 VAL C C 23 178.000 176.677 1.323 1 1 267 . 10 1 1 A 23 23 VAL CA C 23 63.700 60.534 3.166 1 1 268 . 10 1 1 A 23 23 VAL CB C 23 32.700 34.076 -1.376 1 1 271 . 10 1 1 A 23 23 VAL N N 23 120.200 118.971 1.229 1 1 272 . 10 1 1 A 24 24 ILE H H 24 9.120 8.821 0.299 1 1 273 . 10 1 1 A 24 24 ILE HA H 24 4.740 4.682 0.058 1 1 283 . 10 1 1 A 24 24 ILE C C 24 175.300 175.673 -0.373 1 1 284 . 10 1 1 A 24 24 ILE CA C 24 60.500 60.817 -0.317 1 1 285 . 10 1 1 A 24 24 ILE CB C 24 39.900 39.044 0.856 1 1 289 . 10 1 1 A 24 24 ILE N N 24 120.900 124.162 -3.262 1 1 290 . 10 1 1 A 25 25 GLY H H 25 7.770 7.568 0.202 1 1 291 . 10 1 1 A 25 25 GLY HA2 H 25 4.130 4.115 0.015 1 1 292 . 10 1 1 A 25 25 GLY HA3 H 25 4.310 4.133 0.177 1 1 293 . 10 1 1 A 25 25 GLY C C 25 171.100 171.279 -0.179 1 1 294 . 10 1 1 A 25 25 GLY CA C 25 45.500 45.614 -0.114 1 1 295 . 10 1 1 A 25 25 GLY N N 25 109.200 109.279 -0.079 1 1 296 . 10 1 1 A 26 26 THR H H 26 8.440 8.544 -0.104 1 1 297 . 10 1 1 A 26 26 THR HA H 26 5.080 5.066 0.014 1 1 302 . 10 1 1 A 26 26 THR C C 26 173.000 173.393 -0.393 1 1 303 . 10 1 1 A 26 26 THR CA C 26 61.400 61.460 -0.060 1 1 304 . 10 1 1 A 26 26 THR CB C 26 72.200 71.416 0.784 1 1 306 . 10 1 1 A 26 26 THR N N 26 113.900 115.207 -1.307 1 1 307 . 10 1 1 A 27 27 LEU H H 27 9.180 9.302 -0.122 1 1 308 . 10 1 1 A 27 27 LEU HA H 27 4.480 4.927 -0.447 1 1 318 . 10 1 1 A 27 27 LEU C C 27 174.900 175.709 -0.809 1 1 319 . 10 1 1 A 27 27 LEU CA C 27 53.400 52.919 0.481 1 1 320 . 10 1 1 A 27 27 LEU CB C 27 45.000 44.738 0.262 1 1 324 . 10 1 1 A 27 27 LEU N N 27 125.600 125.493 0.107 1 1 325 . 10 1 1 A 28 28 ARG H H 28 9.280 8.620 0.660 1 1 326 . 10 1 1 A 28 28 ARG HA H 28 4.510 4.657 -0.147 1 1 333 . 10 1 1 A 28 28 ARG C C 28 175.300 176.301 -1.001 1 1 334 . 10 1 1 A 28 28 ARG CA C 28 53.300 53.943 -0.643 1 1 335 . 10 1 1 A 28 28 ARG CB C 28 33.100 32.596 0.504 1 1 338 . 10 1 1 A 28 28 ARG N N 28 120.600 121.827 -1.227 1 1 339 . 10 1 1 A 29 29 ASN H H 29 8.360 8.822 -0.462 1 1 340 . 10 1 1 A 29 29 ASN HA H 29 4.070 4.461 -0.391 1 1 345 . 10 1 1 A 29 29 ASN C C 29 176.500 175.824 0.676 1 1 346 . 10 1 1 A 29 29 ASN CA C 29 56.100 53.920 2.180 1 1 347 . 10 1 1 A 29 29 ASN CB C 29 39.300 38.990 0.310 1 1 349 . 10 1 1 A 29 29 ASN N N 29 117.200 119.191 -1.991 1 1 351 . 10 1 1 A 30 30 ASN H H 30 9.290 8.695 0.595 1 1 352 . 10 1 1 A 30 30 ASN HA H 30 4.300 4.248 0.052 1 1 357 . 10 1 1 A 30 30 ASN C C 30 175.100 173.397 1.703 1 1 358 . 10 1 1 A 30 30 ASN CA C 30 55.500 54.317 1.183 1 1 359 . 10 1 1 A 30 30 ASN CB C 30 37.300 37.105 0.195 1 1 361 . 10 1 1 A 30 30 ASN N N 30 118.900 115.930 2.970 1 1 363 . 10 1 1 A 31 31 ASP H H 31 8.210 7.427 0.783 1 1 364 . 10 1 1 A 31 31 ASP HA H 31 4.700 4.815 -0.115 1 1 367 . 10 1 1 A 31 31 ASP C C 31 175.300 175.224 0.076 1 1 368 . 10 1 1 A 31 31 ASP CA C 31 56.500 53.538 2.962 1 1 369 . 10 1 1 A 31 31 ASP CB C 31 41.200 41.198 0.002 1 1 370 . 10 1 1 A 31 31 ASP N N 31 122.300 118.745 3.555 1 1 371 . 10 1 1 A 32 32 LYS H H 32 8.510 8.623 -0.113 1 1 372 . 10 1 1 A 32 32 LYS HA H 32 5.140 4.550 0.590 1 1 381 . 10 1 1 A 32 32 LYS C C 32 176.600 176.407 0.193 1 1 382 . 10 1 1 A 32 32 LYS CA C 32 55.400 56.361 -0.961 1 1 383 . 10 1 1 A 32 32 LYS CB C 32 33.500 33.009 0.491 1 1 387 . 10 1 1 A 32 32 LYS N N 32 121.500 127.390 -5.890 1 1 388 . 10 1 1 A 33 33 VAL H H 33 8.650 8.525 0.125 1 1 389 . 10 1 1 A 33 33 VAL HA H 33 5.020 4.934 0.086 1 1 397 . 10 1 1 A 33 33 VAL C C 33 174.200 174.285 -0.085 1 1 398 . 10 1 1 A 33 33 VAL CA C 33 58.200 58.799 -0.599 1 1 399 . 10 1 1 A 33 33 VAL CB C 33 34.900 35.940 -1.040 1 1 402 . 10 1 1 A 33 33 VAL N N 33 113.500 117.763 -4.263 1 1 403 . 10 1 1 A 34 34 GLU H H 34 8.070 8.678 -0.608 1 1 404 . 10 1 1 A 34 34 GLU HA H 34 4.780 4.918 -0.138 1 1 409 . 10 1 1 A 34 34 GLU C C 34 176.000 175.476 0.524 1 1 410 . 10 1 1 A 34 34 GLU CA C 34 55.000 55.321 -0.321 1 1 411 . 10 1 1 A 34 34 GLU CB C 34 31.400 31.148 0.252 1 1 413 . 10 1 1 A 34 34 GLU N N 34 122.300 120.689 1.611 1 1 414 . 10 1 1 A 35 35 ILE H H 35 8.610 8.961 -0.351 1 1 415 . 10 1 1 A 35 35 ILE HA H 35 4.100 4.438 -0.338 1 1 425 . 10 1 1 A 35 35 ILE C C 35 175.600 175.345 0.255 1 1 426 . 10 1 1 A 35 35 ILE CA C 35 61.200 61.240 -0.040 1 1 427 . 10 1 1 A 35 35 ILE CB C 35 38.800 37.994 0.806 1 1 431 . 10 1 1 A 35 35 ILE N N 35 125.500 124.654 0.846 1 1 432 . 10 1 1 A 36 36 ILE H H 36 9.450 9.192 0.258 1 1 433 . 10 1 1 A 36 36 ILE HA H 36 3.990 4.084 -0.094 1 1 443 . 10 1 1 A 36 36 ILE C C 36 176.500 175.925 0.575 1 1 444 . 10 1 1 A 36 36 ILE CA C 36 63.100 63.200 -0.100 1 1 445 . 10 1 1 A 36 36 ILE CB C 36 38.800 38.206 0.594 1 1 449 . 10 1 1 A 36 36 ILE N N 36 129.500 128.954 0.546 1 1 450 . 10 1 1 A 37 37 LYS H H 37 7.630 7.677 -0.047 1 1 451 . 10 1 1 A 37 37 LYS HA H 37 4.670 4.935 -0.265 1 1 460 . 10 1 1 A 37 37 LYS C C 37 173.100 174.017 -0.917 1 1 461 . 10 1 1 A 37 37 LYS CA C 37 55.700 55.064 0.636 1 1 462 . 10 1 1 A 37 37 LYS CB C 37 34.700 37.099 -2.399 1 1 466 . 10 1 1 A 37 37 LYS N N 37 113.300 119.020 -5.720 1 1 467 . 10 1 1 A 38 38 GLU H H 38 8.800 9.175 -0.375 1 1 468 . 10 1 1 A 38 38 GLU HA H 38 5.360 5.329 0.031 1 1 473 . 10 1 1 A 38 38 GLU C C 38 175.300 175.198 0.102 1 1 474 . 10 1 1 A 38 38 GLU CA C 38 55.400 54.919 0.481 1 1 475 . 10 1 1 A 38 38 GLU CB C 38 32.500 32.675 -0.175 1 1 477 . 10 1 1 A 38 38 GLU N N 38 122.000 123.173 -1.173 1 1 478 . 10 1 1 A 39 39 VAL H H 39 9.550 9.056 0.494 1 1 479 . 10 1 1 A 39 39 VAL HA H 39 4.360 4.523 -0.163 1 1 487 . 10 1 1 A 39 39 VAL C C 39 174.500 175.582 -1.082 1 1 488 . 10 1 1 A 39 39 VAL CA C 39 61.600 61.109 0.491 1 1 489 . 10 1 1 A 39 39 VAL CB C 39 34.400 34.408 -0.008 1 1 492 . 10 1 1 A 39 39 VAL N N 39 126.000 126.208 -0.208 1 1 493 . 10 1 1 A 40 40 ASP H H 40 8.960 9.411 -0.451 1 1 494 . 10 1 1 A 40 40 ASP HA H 40 4.340 4.340 0.000 1 1 497 . 10 1 1 A 40 40 ASP C C 40 175.800 176.278 -0.478 1 1 498 . 10 1 1 A 40 40 ASP CA C 40 55.900 55.666 0.234 1 1 499 . 10 1 1 A 40 40 ASP CB C 40 40.700 39.492 1.208 1 1 500 . 10 1 1 A 40 40 ASP N N 40 125.700 128.829 -3.129 1 1 501 . 10 1 1 A 41 41 GLY H H 41 8.870 8.320 0.550 1 1 502 . 10 1 1 A 41 41 GLY HA2 H 41 3.510 3.741 -0.231 1 1 503 . 10 1 1 A 41 41 GLY HA3 H 41 4.190 3.858 0.332 1 1 504 . 10 1 1 A 41 41 GLY C C 41 173.900 174.139 -0.239 1 1 505 . 10 1 1 A 41 41 GLY CA C 41 45.700 45.436 0.264 1 1 506 . 10 1 1 A 41 41 GLY N N 41 105.500 104.715 0.785 1 1 507 . 10 1 1 A 42 42 TRP H H 42 8.580 8.206 0.374 1 1 508 . 10 1 1 A 42 42 TRP HA H 42 4.700 4.690 0.010 1 1 517 . 10 1 1 A 42 42 TRP C C 42 175.300 175.688 -0.388 1 1 518 . 10 1 1 A 42 42 TRP CA C 42 56.300 57.484 -1.184 1 1 519 . 10 1 1 A 42 42 TRP CB C 42 31.300 30.498 0.802 1 1 525 . 10 1 1 A 42 42 TRP N N 42 122.900 120.904 1.996 1 1 527 . 10 1 1 A 43 43 TYR H H 43 9.400 8.831 0.569 1 1 528 . 10 1 1 A 43 43 TYR HA H 43 5.630 5.158 0.472 1 1 535 . 10 1 1 A 43 43 TYR C C 43 175.800 175.243 0.557 1 1 536 . 10 1 1 A 43 43 TYR CA C 43 55.900 56.989 -1.089 1 1 537 . 10 1 1 A 43 43 TYR CB C 43 40.200 40.391 -0.191 1 1 542 . 10 1 1 A 43 43 TYR N N 43 119.000 122.059 -3.059 1 1 543 . 10 1 1 A 44 44 GLU H H 44 9.110 9.474 -0.364 1 1 544 . 10 1 1 A 44 44 GLU HA H 44 4.040 4.438 -0.398 1 1 549 . 10 1 1 A 44 44 GLU C C 44 175.500 176.404 -0.904 1 1 550 . 10 1 1 A 44 44 GLU CA C 44 55.500 55.990 -0.490 1 1 551 . 10 1 1 A 44 44 GLU CB C 44 31.200 30.571 0.629 1 1 553 . 10 1 1 A 44 44 GLU N N 44 125.600 124.776 0.824 1 1 554 . 10 1 1 A 45 45 ILE H H 45 9.300 8.621 0.679 1 1 555 . 10 1 1 A 45 45 ILE HA H 45 5.550 5.387 0.163 1 1 565 . 10 1 1 A 45 45 ILE C C 45 173.700 173.464 0.236 1 1 566 . 10 1 1 A 45 45 ILE CA C 45 58.300 58.549 -0.249 1 1 567 . 10 1 1 A 45 45 ILE CB C 45 43.200 42.278 0.922 1 1 571 . 10 1 1 A 45 45 ILE N N 45 122.700 121.053 1.647 1 1 572 . 10 1 1 A 46 46 ARG H H 46 8.730 8.404 0.326 1 1 573 . 10 1 1 A 46 46 ARG HA H 46 5.310 5.418 -0.108 1 1 580 . 10 1 1 A 46 46 ARG C C 46 176.400 174.708 1.692 1 1 581 . 10 1 1 A 46 46 ARG CA C 46 54.400 54.311 0.089 1 1 582 . 10 1 1 A 46 46 ARG CB C 46 33.600 33.234 0.366 1 1 585 . 10 1 1 A 46 46 ARG N N 46 118.900 122.727 -3.827 1 1 586 . 10 1 1 A 47 47 PHE H H 47 9.080 9.722 -0.642 1 1 587 . 10 1 1 A 47 47 PHE HA H 47 4.850 4.841 0.009 1 1 595 . 10 1 1 A 47 47 PHE C C 47 174.500 174.762 -0.262 1 1 596 . 10 1 1 A 47 47 PHE CA C 47 57.300 57.716 -0.416 1 1 597 . 10 1 1 A 47 47 PHE CB C 47 42.500 42.934 -0.434 1 1 603 . 10 1 1 A 47 47 PHE N N 47 126.500 127.261 -0.761 1 1 604 . 10 1 1 A 48 48 ASN H H 48 9.140 8.745 0.395 1 1 605 . 10 1 1 A 48 48 ASN HA H 48 4.080 4.054 0.026 1 1 610 . 10 1 1 A 48 48 ASN C C 48 175.100 174.680 0.420 1 1 611 . 10 1 1 A 48 48 ASN CA C 48 53.500 53.669 -0.169 1 1 612 . 10 1 1 A 48 48 ASN CB C 48 37.100 37.091 0.009 1 1 614 . 10 1 1 A 48 48 ASN N N 48 128.500 125.221 3.279 1 1 616 . 10 1 1 A 49 49 GLY H H 49 8.600 8.541 0.059 1 1 617 . 10 1 1 A 49 49 GLY HA2 H 49 3.510 3.809 -0.299 1 1 618 . 10 1 1 A 49 49 GLY HA3 H 49 4.110 3.815 0.295 1 1 619 . 10 1 1 A 49 49 GLY C C 49 173.600 173.725 -0.125 1 1 620 . 10 1 1 A 49 49 GLY CA C 49 45.600 45.707 -0.107 1 1 621 . 10 1 1 A 49 49 GLY N N 49 103.100 103.653 -0.553 1 1 622 . 10 1 1 A 50 50 LYS H H 50 7.850 7.994 -0.144 1 1 623 . 10 1 1 A 50 50 LYS HA H 50 4.620 4.918 -0.298 1 1 632 . 10 1 1 A 50 50 LYS C C 50 174.600 175.029 -0.429 1 1 633 . 10 1 1 A 50 50 LYS CA C 50 54.900 54.249 0.651 1 1 634 . 10 1 1 A 50 50 LYS CB C 50 35.100 35.427 -0.327 1 1 638 . 10 1 1 A 50 50 LYS N N 50 121.700 120.373 1.327 1 1 639 . 10 1 1 A 51 51 VAL H H 51 8.120 8.693 -0.573 1 1 640 . 10 1 1 A 51 51 VAL HA H 51 5.100 5.125 -0.025 1 1 648 . 10 1 1 A 51 51 VAL C C 51 176.100 175.590 0.510 1 1 649 . 10 1 1 A 51 51 VAL CA C 51 60.700 60.139 0.561 1 1 650 . 10 1 1 A 51 51 VAL CB C 51 33.400 34.274 -0.874 1 1 653 . 10 1 1 A 51 51 VAL N N 51 122.100 122.625 -0.525 1 1 654 . 10 1 1 A 52 52 GLY H H 52 8.430 8.241 0.189 1 1 655 . 10 1 1 A 52 52 GLY HA2 H 52 3.760 4.360 -0.600 1 1 656 . 10 1 1 A 52 52 GLY HA3 H 52 4.230 4.413 -0.183 1 1 657 . 10 1 1 A 52 52 GLY C C 52 170.300 171.673 -1.373 1 1 658 . 10 1 1 A 52 52 GLY CA C 52 45.600 45.798 -0.198 1 1 659 . 10 1 1 A 52 52 GLY N N 52 113.100 112.749 0.351 1 1 660 . 10 1 1 A 53 53 TYR H H 53 9.260 9.285 -0.025 1 1 661 . 10 1 1 A 53 53 TYR HA H 53 5.990 5.803 0.187 1 1 668 . 10 1 1 A 53 53 TYR C C 53 175.700 175.194 0.506 1 1 669 . 10 1 1 A 53 53 TYR CA C 53 56.800 56.902 -0.102 1 1 670 . 10 1 1 A 53 53 TYR CB C 53 42.800 43.577 -0.777 1 1 675 . 10 1 1 A 53 53 TYR N N 53 118.000 119.097 -1.097 1 1 676 . 10 1 1 A 54 54 ALA H H 54 9.210 8.401 0.809 1 1 677 . 10 1 1 A 54 54 ALA HA H 54 5.280 4.959 0.321 1 1 681 . 10 1 1 A 54 54 ALA C C 54 175.800 175.700 0.100 1 1 682 . 10 1 1 A 54 54 ALA CA C 54 50.900 51.086 -0.186 1 1 683 . 10 1 1 A 54 54 ALA CB C 54 23.800 23.300 0.500 1 1 684 . 10 1 1 A 54 54 ALA N N 54 122.000 122.747 -0.747 1 1 685 . 10 1 1 A 55 55 SER H H 55 8.620 8.042 0.578 1 1 686 . 10 1 1 A 55 55 SER HA H 55 3.270 3.151 0.119 1 1 689 . 10 1 1 A 55 55 SER C C 55 175.400 175.619 -0.219 1 1 690 . 10 1 1 A 55 55 SER CA C 55 59.100 58.381 0.719 1 1 691 . 10 1 1 A 55 55 SER CB C 55 63.200 63.037 0.163 1 1 692 . 10 1 1 A 55 55 SER N N 55 117.400 115.816 1.584 1 1 693 . 10 1 1 A 56 56 LYS H H 56 7.630 8.407 -0.777 1 1 694 . 10 1 1 A 56 56 LYS HA H 56 3.750 4.111 -0.361 1 1 703 . 10 1 1 A 56 56 LYS C C 56 177.100 177.634 -0.534 1 1 704 . 10 1 1 A 56 56 LYS CA C 56 58.600 58.589 0.011 1 1 705 . 10 1 1 A 56 56 LYS CB C 56 32.300 32.048 0.252 1 1 709 . 10 1 1 A 56 56 LYS N N 56 124.500 123.827 0.673 1 1 710 . 10 1 1 A 57 57 SER H H 57 7.670 7.809 -0.139 1 1 711 . 10 1 1 A 57 57 SER HA H 57 3.930 4.042 -0.112 1 1 714 . 10 1 1 A 57 57 SER C C 57 174.100 174.731 -0.631 1 1 715 . 10 1 1 A 57 57 SER CA C 57 60.700 60.691 0.009 1 1 716 . 10 1 1 A 57 57 SER CB C 57 62.800 62.763 0.037 1 1 717 . 10 1 1 A 57 57 SER N N 57 112.000 114.578 -2.578 1 1 718 . 10 1 1 A 58 58 TYR H H 58 6.990 7.700 -0.710 1 1 719 . 10 1 1 A 58 58 TYR HA H 58 4.800 4.624 0.176 1 1 726 . 10 1 1 A 58 58 TYR C C 58 173.300 175.122 -1.822 1 1 727 . 10 1 1 A 58 58 TYR CA C 58 57.400 58.799 -1.399 1 1 728 . 10 1 1 A 58 58 TYR CB C 58 40.500 40.523 -0.023 1 1 733 . 10 1 1 A 58 58 TYR N N 58 116.100 118.720 -2.620 1 1 734 . 10 1 1 A 59 59 ILE H H 59 7.300 7.061 0.239 1 1 735 . 10 1 1 A 59 59 ILE HA H 59 4.790 4.244 0.546 1 1 745 . 10 1 1 A 59 59 ILE C C 59 174.500 175.009 -0.509 1 1 746 . 10 1 1 A 59 59 ILE CA C 59 59.300 60.604 -1.304 1 1 747 . 10 1 1 A 59 59 ILE CB C 59 40.800 38.685 2.115 1 1 751 . 10 1 1 A 59 59 ILE N N 59 119.000 119.269 -0.269 1 1 752 . 10 1 1 A 60 60 THR H H 60 8.980 9.013 -0.033 1 1 753 . 10 1 1 A 60 60 THR HA H 60 4.580 4.910 -0.330 1 1 758 . 10 1 1 A 60 60 THR C C 60 173.800 173.138 0.662 1 1 759 . 10 1 1 A 60 60 THR CA C 60 60.800 61.814 -1.014 1 1 760 . 10 1 1 A 60 60 THR CB C 60 71.100 70.686 0.414 1 1 762 . 10 1 1 A 60 60 THR N N 60 123.600 124.282 -0.682 1 1 763 . 10 1 1 A 61 61 ILE H H 61 8.680 8.666 0.014 1 1 764 . 10 1 1 A 61 61 ILE HA H 61 4.180 4.217 -0.037 1 1 774 . 10 1 1 A 61 61 ILE C C 61 176.400 176.253 0.147 1 1 775 . 10 1 1 A 61 61 ILE CA C 61 61.800 60.671 1.129 1 1 776 . 10 1 1 A 61 61 ILE CB C 61 37.900 37.677 0.223 1 1 780 . 10 1 1 A 61 61 ILE N N 61 127.200 128.178 -0.978 1 1 781 . 10 1 1 A 62 62 VAL H H 62 8.370 8.339 0.031 1 1 782 . 10 1 1 A 62 62 VAL HA H 62 4.140 4.169 -0.029 1 1 790 . 10 1 1 A 62 62 VAL C C 62 175.200 176.040 -0.840 1 1 791 . 10 1 1 A 62 62 VAL CA C 62 61.800 61.880 -0.080 1 1 792 . 10 1 1 A 62 62 VAL CB C 62 33.200 32.551 0.649 1 1 795 . 10 1 1 A 62 62 VAL N N 62 126.600 125.589 1.011 1 1 796 . 10 1 1 A 63 63 ASN H H 63 8.590 9.188 -0.598 1 1 797 . 10 1 1 A 63 63 ASN HA H 63 4.730 4.583 0.147 1 1 802 . 10 1 1 A 63 63 ASN C C 63 175.200 175.566 -0.366 1 1 803 . 10 1 1 A 63 63 ASN CA C 63 53.200 53.783 -0.583 1 1 804 . 10 1 1 A 63 63 ASN CB C 63 39.100 38.230 0.870 1 1 806 . 10 1 1 A 63 63 ASN N N 63 123.500 120.793 2.707 1 1 808 . 10 1 1 A 64 64 GLU H H 64 8.620 8.993 -0.373 1 1 809 . 10 1 1 A 64 64 GLU HA H 64 4.250 3.987 0.263 1 1 814 . 10 1 1 A 64 64 GLU C C 64 177.000 177.151 -0.151 1 1 815 . 10 1 1 A 64 64 GLU CA C 64 57.100 57.146 -0.046 1 1 816 . 10 1 1 A 64 64 GLU CB C 64 30.400 28.086 2.314 1 1 818 . 10 1 1 A 64 64 GLU N N 64 122.700 121.329 1.371 1 1 819 . 10 1 1 A 65 65 GLY H H 65 8.490 8.052 0.438 1 1 820 . 10 1 1 A 65 65 GLY HA2 H 65 3.980 3.766 0.214 1 1 821 . 10 1 1 A 65 65 GLY HA3 H 65 3.980 3.767 0.213 1 1 822 . 10 1 1 A 65 65 GLY C C 65 174.300 174.710 -0.410 1 1 823 . 10 1 1 A 65 65 GLY CA C 65 45.500 46.985 -1.485 1 1 824 . 10 1 1 A 65 65 GLY N N 65 109.600 110.337 -0.737 1 1 825 . 10 1 1 A 66 66 SER H H 66 8.180 7.721 0.459 1 1 826 . 10 1 1 A 66 66 SER HA H 66 4.450 4.505 -0.055 1 1 829 . 10 1 1 A 66 66 SER C C 66 174.900 173.978 0.922 1 1 830 . 10 1 1 A 66 66 SER CA C 66 58.300 58.225 0.075 1 1 831 . 10 1 1 A 66 66 SER CB C 66 63.700 64.730 -1.030 1 1 832 . 10 1 1 A 66 66 SER N N 66 115.500 112.397 3.103 1 1 833 . 10 1 1 A 67 67 LEU H H 67 8.300 8.229 0.071 1 1 834 . 10 1 1 A 67 67 LEU HA H 67 4.300 4.494 -0.194 1 1 844 . 10 1 1 A 67 67 LEU C C 67 177.500 176.202 1.298 1 1 845 . 10 1 1 A 67 67 LEU CA C 67 55.400 55.200 0.200 1 1 846 . 10 1 1 A 67 67 LEU CB C 67 42.200 42.755 -0.555 1 1 850 . 10 1 1 A 67 67 LEU N N 67 123.800 123.625 0.175 1 1 851 . 10 1 1 A 68 68 GLU H H 68 8.270 8.683 -0.413 1 1 852 . 10 1 1 A 68 68 GLU HA H 68 4.160 4.390 -0.230 1 1 857 . 10 1 1 A 68 68 GLU CA C 68 56.900 56.149 0.751 1 1 858 . 10 1 1 A 68 68 GLU CB C 68 30.100 30.776 -0.676 1 1 860 . 10 1 1 A 68 68 GLU N N 68 120.700 127.809 -7.109 1 1 861 . 10 1 1 A 69 69 HIS C C 69 173.900 174.174 -0.274 1 1 862 . 10 1 1 A 70 70 HIS H H 70 8.140 8.891 -0.751 1 1 863 . 10 1 1 A 70 70 HIS CA C 70 57.200 55.314 1.886 1 1 864 . 10 1 1 A 70 70 HIS CB C 70 30.200 30.971 -0.771 1 1 14 . 11 1 1 A 2 2 GLN H H 2 9.330 8.969 0.361 1 1 15 . 11 1 1 A 2 2 GLN HA H 2 5.000 4.973 0.027 1 1 22 . 11 1 1 A 2 2 GLN C C 2 174.500 175.602 -1.102 1 1 23 . 11 1 1 A 2 2 GLN CA C 2 55.500 54.253 1.247 1 1 24 . 11 1 1 A 2 2 GLN CB C 2 31.700 31.279 0.421 1 1 26 . 11 1 1 A 2 2 GLN N N 2 125.400 125.290 0.110 1 1 28 . 11 1 1 A 3 3 GLY H H 3 8.860 8.923 -0.063 1 1 29 . 11 1 1 A 3 3 GLY HA2 H 3 3.070 4.189 -1.119 1 1 30 . 11 1 1 A 3 3 GLY HA3 H 3 5.250 4.201 1.049 1 1 31 . 11 1 1 A 3 3 GLY C C 3 171.800 172.803 -1.003 1 1 32 . 11 1 1 A 3 3 GLY CA C 3 44.300 44.640 -0.340 1 1 33 . 11 1 1 A 3 3 GLY N N 3 108.200 112.097 -3.897 1 1 34 . 11 1 1 A 4 4 VAL H H 4 9.060 8.672 0.388 1 1 35 . 11 1 1 A 4 4 VAL HA H 4 5.080 4.858 0.222 1 1 43 . 11 1 1 A 4 4 VAL C C 4 174.500 174.659 -0.159 1 1 44 . 11 1 1 A 4 4 VAL CA C 4 59.800 60.578 -0.778 1 1 45 . 11 1 1 A 4 4 VAL CB C 4 35.300 35.330 -0.030 1 1 48 . 11 1 1 A 4 4 VAL N N 4 120.200 121.900 -1.700 1 1 49 . 11 1 1 A 5 5 VAL H H 5 8.750 8.786 -0.036 1 1 50 . 11 1 1 A 5 5 VAL HA H 5 4.190 4.986 -0.796 1 1 58 . 11 1 1 A 5 5 VAL C C 5 175.800 175.211 0.589 1 1 59 . 11 1 1 A 5 5 VAL CA C 5 62.800 61.839 0.961 1 1 60 . 11 1 1 A 5 5 VAL CB C 5 31.900 32.342 -0.442 1 1 63 . 11 1 1 A 5 5 VAL N N 5 128.600 128.134 0.466 1 1 64 . 11 1 1 A 6 6 LYS H H 6 8.830 8.819 0.011 1 1 65 . 11 1 1 A 6 6 LYS HA H 6 5.250 5.008 0.242 1 1 74 . 11 1 1 A 6 6 LYS C C 6 174.800 174.777 0.023 1 1 75 . 11 1 1 A 6 6 LYS CA C 6 54.300 55.079 -0.779 1 1 76 . 11 1 1 A 6 6 LYS CB C 6 33.200 34.213 -1.013 1 1 80 . 11 1 1 A 6 6 LYS N N 6 131.400 127.068 4.332 1 1 81 . 11 1 1 A 7 7 VAL H H 7 8.270 8.667 -0.397 1 1 82 . 11 1 1 A 7 7 VAL HA H 7 4.640 4.873 -0.233 1 1 90 . 11 1 1 A 7 7 VAL C C 7 173.400 175.801 -2.401 1 1 91 . 11 1 1 A 7 7 VAL CA C 7 59.700 59.653 0.047 1 1 92 . 11 1 1 A 7 7 VAL CB C 7 35.400 35.516 -0.116 1 1 95 . 11 1 1 A 7 7 VAL N N 7 119.000 123.032 -4.032 1 1 96 . 11 1 1 A 8 8 ASN H H 8 8.560 8.665 -0.105 1 1 97 . 11 1 1 A 8 8 ASN HA H 8 4.690 4.519 0.171 1 1 102 . 11 1 1 A 8 8 ASN C C 8 175.600 175.846 -0.246 1 1 103 . 11 1 1 A 8 8 ASN CA C 8 54.500 56.458 -1.958 1 1 104 . 11 1 1 A 8 8 ASN CB C 8 38.700 39.553 -0.853 1 1 106 . 11 1 1 A 8 8 ASN N N 8 120.700 124.364 -3.664 1 1 108 . 11 1 1 A 9 9 SER H H 9 7.630 7.988 -0.358 1 1 109 . 11 1 1 A 9 9 SER HA H 9 4.450 4.724 -0.274 1 1 112 . 11 1 1 A 9 9 SER C C 9 172.800 173.420 -0.620 1 1 113 . 11 1 1 A 9 9 SER CA C 9 58.100 57.213 0.887 1 1 114 . 11 1 1 A 9 9 SER CB C 9 63.500 65.718 -2.218 1 1 115 . 11 1 1 A 9 9 SER N N 9 112.800 111.064 1.736 1 1 116 . 11 1 1 A 10 10 ALA H H 10 8.330 8.342 -0.012 1 1 117 . 11 1 1 A 10 10 ALA HA H 10 4.530 4.359 0.171 1 1 121 . 11 1 1 A 10 10 ALA C C 10 175.300 176.827 -1.527 1 1 122 . 11 1 1 A 10 10 ALA CA C 10 52.400 52.350 0.050 1 1 123 . 11 1 1 A 10 10 ALA CB C 10 20.900 19.302 1.598 1 1 124 . 11 1 1 A 10 10 ALA N N 10 123.900 123.218 0.682 1 1 125 . 11 1 1 A 11 11 LEU H H 11 8.930 8.847 0.083 1 1 126 . 11 1 1 A 11 11 LEU HA H 11 4.530 4.886 -0.356 1 1 136 . 11 1 1 A 11 11 LEU C C 11 175.300 176.148 -0.848 1 1 137 . 11 1 1 A 11 11 LEU CA C 11 52.600 53.266 -0.666 1 1 138 . 11 1 1 A 11 11 LEU CB C 11 45.900 45.672 0.228 1 1 142 . 11 1 1 A 11 11 LEU N N 11 123.600 123.265 0.335 1 1 143 . 11 1 1 A 12 12 ASN H H 12 8.800 8.922 -0.122 1 1 144 . 11 1 1 A 12 12 ASN HA H 12 5.030 5.083 -0.053 1 1 149 . 11 1 1 A 12 12 ASN C C 12 174.000 174.485 -0.485 1 1 150 . 11 1 1 A 12 12 ASN CA C 12 53.800 52.785 1.015 1 1 151 . 11 1 1 A 12 12 ASN CB C 12 39.500 39.053 0.447 1 1 153 . 11 1 1 A 12 12 ASN N N 12 123.600 123.961 -0.361 1 1 155 . 11 1 1 A 13 13 MET H H 13 8.630 8.666 -0.036 1 1 156 . 11 1 1 A 13 13 MET HA H 13 4.970 5.222 -0.252 1 1 164 . 11 1 1 A 13 13 MET C C 13 176.000 175.005 0.995 1 1 165 . 11 1 1 A 13 13 MET CA C 13 54.900 54.078 0.822 1 1 166 . 11 1 1 A 13 13 MET CB C 13 35.200 35.843 -0.643 1 1 169 . 11 1 1 A 13 13 MET N N 13 122.600 122.912 -0.312 1 1 170 . 11 1 1 A 14 14 ARG H H 14 9.730 8.687 1.043 1 1 171 . 11 1 1 A 14 14 ARG HA H 14 5.760 4.681 1.079 1 1 178 . 11 1 1 A 14 14 ARG C C 14 177.700 177.359 0.341 1 1 179 . 11 1 1 A 14 14 ARG CA C 14 54.900 54.780 0.120 1 1 180 . 11 1 1 A 14 14 ARG CB C 14 34.600 32.212 2.388 1 1 183 . 11 1 1 A 14 14 ARG N N 14 125.200 125.245 -0.045 1 1 184 . 11 1 1 A 15 15 SER H H 15 9.010 8.869 0.141 1 1 185 . 11 1 1 A 15 15 SER HA H 15 4.580 4.525 0.055 1 1 188 . 11 1 1 A 15 15 SER C C 15 173.100 174.309 -1.209 1 1 189 . 11 1 1 A 15 15 SER CA C 15 59.100 59.404 -0.304 1 1 190 . 11 1 1 A 15 15 SER CB C 15 63.600 63.800 -0.200 1 1 191 . 11 1 1 A 15 15 SER N N 15 113.600 115.274 -1.674 1 1 192 . 11 1 1 A 16 16 GLY H H 16 6.940 7.211 -0.271 1 1 193 . 11 1 1 A 16 16 GLY HA2 H 16 1.050 2.281 -1.231 1 1 194 . 11 1 1 A 16 16 GLY HA3 H 16 3.010 2.925 0.085 1 1 195 . 11 1 1 A 16 16 GLY CA C 16 43.700 44.129 -0.429 1 1 196 . 11 1 1 A 16 16 GLY N N 16 109.500 108.081 1.419 1 1 197 . 11 1 1 A 17 17 PRO HA H 17 3.070 3.093 -0.023 1 1 204 . 11 1 1 A 17 17 PRO C C 17 172.400 175.164 -2.764 1 1 205 . 11 1 1 A 17 17 PRO CA C 17 60.200 61.217 -1.017 1 1 206 . 11 1 1 A 17 17 PRO CB C 17 28.300 28.782 -0.482 1 1 209 . 11 1 1 A 18 18 GLY H H 18 6.650 6.858 -0.208 1 1 210 . 11 1 1 A 18 18 GLY HA2 H 18 3.630 4.080 -0.450 1 1 211 . 11 1 1 A 18 18 GLY HA3 H 18 4.010 4.206 -0.196 1 1 212 . 11 1 1 A 18 18 GLY C C 18 173.200 174.231 -1.031 1 1 213 . 11 1 1 A 18 18 GLY CA C 18 46.200 45.566 0.634 1 1 214 . 11 1 1 A 18 18 GLY N N 18 110.400 109.896 0.504 1 1 215 . 11 1 1 A 19 19 SER H H 19 8.960 8.965 -0.005 1 1 216 . 11 1 1 A 19 19 SER HA H 19 4.200 4.366 -0.166 1 1 219 . 11 1 1 A 19 19 SER C C 19 173.600 175.064 -1.464 1 1 220 . 11 1 1 A 19 19 SER CA C 19 60.600 60.978 -0.378 1 1 221 . 11 1 1 A 19 19 SER CB C 19 63.200 63.285 -0.085 1 1 222 . 11 1 1 A 19 19 SER N N 19 115.800 116.619 -0.819 1 1 223 . 11 1 1 A 20 20 ASN H H 20 8.720 8.099 0.621 1 1 224 . 11 1 1 A 20 20 ASN HA H 20 4.560 4.697 -0.137 1 1 229 . 11 1 1 A 20 20 ASN C C 20 175.300 176.071 -0.771 1 1 230 . 11 1 1 A 20 20 ASN CA C 20 53.300 53.495 -0.195 1 1 231 . 11 1 1 A 20 20 ASN CB C 20 37.300 38.930 -1.630 1 1 233 . 11 1 1 A 20 20 ASN N N 20 115.000 119.272 -4.272 1 1 235 . 11 1 1 A 21 21 TYR H H 21 7.040 7.597 -0.557 1 1 236 . 11 1 1 A 21 21 TYR HA H 21 4.290 4.572 -0.282 1 1 243 . 11 1 1 A 21 21 TYR C C 21 175.700 176.108 -0.408 1 1 244 . 11 1 1 A 21 21 TYR CA C 21 58.800 57.959 0.841 1 1 245 . 11 1 1 A 21 21 TYR CB C 21 39.400 38.744 0.656 1 1 250 . 11 1 1 A 21 21 TYR N N 21 119.200 116.256 2.944 1 1 251 . 11 1 1 A 22 22 GLY H H 22 8.450 7.993 0.457 1 1 252 . 11 1 1 A 22 22 GLY HA2 H 22 3.820 4.067 -0.247 1 1 253 . 11 1 1 A 22 22 GLY HA3 H 22 4.090 4.069 0.021 1 1 254 . 11 1 1 A 22 22 GLY C C 22 172.700 172.862 -0.162 1 1 255 . 11 1 1 A 22 22 GLY CA C 22 45.300 44.955 0.345 1 1 256 . 11 1 1 A 22 22 GLY N N 22 107.800 108.351 -0.551 1 1 257 . 11 1 1 A 23 23 VAL H H 23 8.470 8.301 0.169 1 1 258 . 11 1 1 A 23 23 VAL HA H 23 4.320 4.982 -0.662 1 1 266 . 11 1 1 A 23 23 VAL C C 23 178.000 176.859 1.141 1 1 267 . 11 1 1 A 23 23 VAL CA C 23 63.700 60.460 3.240 1 1 268 . 11 1 1 A 23 23 VAL CB C 23 32.700 33.974 -1.274 1 1 271 . 11 1 1 A 23 23 VAL N N 23 120.200 119.146 1.054 1 1 272 . 11 1 1 A 24 24 ILE H H 24 9.120 8.669 0.451 1 1 273 . 11 1 1 A 24 24 ILE HA H 24 4.740 4.581 0.159 1 1 283 . 11 1 1 A 24 24 ILE C C 24 175.300 175.818 -0.518 1 1 284 . 11 1 1 A 24 24 ILE CA C 24 60.500 60.973 -0.473 1 1 285 . 11 1 1 A 24 24 ILE CB C 24 39.900 38.782 1.118 1 1 289 . 11 1 1 A 24 24 ILE N N 24 120.900 124.593 -3.693 1 1 290 . 11 1 1 A 25 25 GLY H H 25 7.770 7.511 0.259 1 1 291 . 11 1 1 A 25 25 GLY HA2 H 25 4.130 4.121 0.009 1 1 292 . 11 1 1 A 25 25 GLY HA3 H 25 4.310 4.127 0.183 1 1 293 . 11 1 1 A 25 25 GLY C C 25 171.100 171.280 -0.180 1 1 294 . 11 1 1 A 25 25 GLY CA C 25 45.500 45.540 -0.040 1 1 295 . 11 1 1 A 25 25 GLY N N 25 109.200 109.240 -0.040 1 1 296 . 11 1 1 A 26 26 THR H H 26 8.440 8.509 -0.069 1 1 297 . 11 1 1 A 26 26 THR HA H 26 5.080 5.029 0.051 1 1 302 . 11 1 1 A 26 26 THR C C 26 173.000 173.457 -0.457 1 1 303 . 11 1 1 A 26 26 THR CA C 26 61.400 61.282 0.118 1 1 304 . 11 1 1 A 26 26 THR CB C 26 72.200 70.870 1.330 1 1 306 . 11 1 1 A 26 26 THR N N 26 113.900 115.376 -1.476 1 1 307 . 11 1 1 A 27 27 LEU H H 27 9.180 9.408 -0.228 1 1 308 . 11 1 1 A 27 27 LEU HA H 27 4.480 4.943 -0.463 1 1 318 . 11 1 1 A 27 27 LEU C C 27 174.900 175.124 -0.224 1 1 319 . 11 1 1 A 27 27 LEU CA C 27 53.400 52.920 0.480 1 1 320 . 11 1 1 A 27 27 LEU CB C 27 45.000 44.936 0.064 1 1 324 . 11 1 1 A 27 27 LEU N N 27 125.600 126.019 -0.419 1 1 325 . 11 1 1 A 28 28 ARG H H 28 9.280 8.691 0.589 1 1 326 . 11 1 1 A 28 28 ARG HA H 28 4.510 5.008 -0.498 1 1 333 . 11 1 1 A 28 28 ARG C C 28 175.300 175.657 -0.357 1 1 334 . 11 1 1 A 28 28 ARG CA C 28 53.300 53.927 -0.627 1 1 335 . 11 1 1 A 28 28 ARG CB C 28 33.100 33.936 -0.836 1 1 338 . 11 1 1 A 28 28 ARG N N 28 120.600 122.824 -2.224 1 1 339 . 11 1 1 A 29 29 ASN H H 29 8.360 8.673 -0.313 1 1 340 . 11 1 1 A 29 29 ASN HA H 29 4.070 4.642 -0.572 1 1 345 . 11 1 1 A 29 29 ASN C C 29 176.500 175.350 1.150 1 1 346 . 11 1 1 A 29 29 ASN CA C 29 56.100 53.291 2.809 1 1 347 . 11 1 1 A 29 29 ASN CB C 29 39.300 39.284 0.016 1 1 349 . 11 1 1 A 29 29 ASN N N 29 117.200 123.713 -6.513 1 1 351 . 11 1 1 A 30 30 ASN H H 30 9.290 9.090 0.200 1 1 352 . 11 1 1 A 30 30 ASN HA H 30 4.300 4.408 -0.108 1 1 357 . 11 1 1 A 30 30 ASN C C 30 175.100 174.146 0.954 1 1 358 . 11 1 1 A 30 30 ASN CA C 30 55.500 54.575 0.925 1 1 359 . 11 1 1 A 30 30 ASN CB C 30 37.300 38.219 -0.919 1 1 361 . 11 1 1 A 30 30 ASN N N 30 118.900 118.437 0.463 1 1 363 . 11 1 1 A 31 31 ASP H H 31 8.210 7.558 0.652 1 1 364 . 11 1 1 A 31 31 ASP HA H 31 4.700 4.857 -0.157 1 1 367 . 11 1 1 A 31 31 ASP C C 31 175.300 175.768 -0.468 1 1 368 . 11 1 1 A 31 31 ASP CA C 31 56.500 53.720 2.780 1 1 369 . 11 1 1 A 31 31 ASP CB C 31 41.200 41.653 -0.453 1 1 370 . 11 1 1 A 31 31 ASP N N 31 122.300 120.469 1.831 1 1 371 . 11 1 1 A 32 32 LYS H H 32 8.510 8.548 -0.038 1 1 372 . 11 1 1 A 32 32 LYS HA H 32 5.140 4.495 0.645 1 1 381 . 11 1 1 A 32 32 LYS C C 32 176.600 176.691 -0.091 1 1 382 . 11 1 1 A 32 32 LYS CA C 32 55.400 56.489 -1.089 1 1 383 . 11 1 1 A 32 32 LYS CB C 32 33.500 33.176 0.324 1 1 387 . 11 1 1 A 32 32 LYS N N 32 121.500 127.001 -5.501 1 1 388 . 11 1 1 A 33 33 VAL H H 33 8.650 9.031 -0.381 1 1 389 . 11 1 1 A 33 33 VAL HA H 33 5.020 4.958 0.062 1 1 397 . 11 1 1 A 33 33 VAL C C 33 174.200 173.466 0.734 1 1 398 . 11 1 1 A 33 33 VAL CA C 33 58.200 58.752 -0.552 1 1 399 . 11 1 1 A 33 33 VAL CB C 33 34.900 35.903 -1.003 1 1 402 . 11 1 1 A 33 33 VAL N N 33 113.500 118.040 -4.540 1 1 403 . 11 1 1 A 34 34 GLU H H 34 8.070 9.030 -0.960 1 1 404 . 11 1 1 A 34 34 GLU HA H 34 4.780 4.978 -0.198 1 1 409 . 11 1 1 A 34 34 GLU C C 34 176.000 175.010 0.990 1 1 410 . 11 1 1 A 34 34 GLU CA C 34 55.000 54.859 0.141 1 1 411 . 11 1 1 A 34 34 GLU CB C 34 31.400 32.455 -1.055 1 1 413 . 11 1 1 A 34 34 GLU N N 34 122.300 122.041 0.259 1 1 414 . 11 1 1 A 35 35 ILE H H 35 8.610 8.936 -0.326 1 1 415 . 11 1 1 A 35 35 ILE HA H 35 4.100 4.382 -0.282 1 1 425 . 11 1 1 A 35 35 ILE C C 35 175.600 175.501 0.099 1 1 426 . 11 1 1 A 35 35 ILE CA C 35 61.200 61.511 -0.311 1 1 427 . 11 1 1 A 35 35 ILE CB C 35 38.800 37.716 1.084 1 1 431 . 11 1 1 A 35 35 ILE N N 35 125.500 127.634 -2.134 1 1 432 . 11 1 1 A 36 36 ILE H H 36 9.450 8.817 0.633 1 1 433 . 11 1 1 A 36 36 ILE HA H 36 3.990 4.059 -0.069 1 1 443 . 11 1 1 A 36 36 ILE C C 36 176.500 176.051 0.449 1 1 444 . 11 1 1 A 36 36 ILE CA C 36 63.100 62.864 0.236 1 1 445 . 11 1 1 A 36 36 ILE CB C 36 38.800 38.218 0.582 1 1 449 . 11 1 1 A 36 36 ILE N N 36 129.500 128.595 0.905 1 1 450 . 11 1 1 A 37 37 LYS H H 37 7.630 7.499 0.131 1 1 451 . 11 1 1 A 37 37 LYS HA H 37 4.670 4.530 0.140 1 1 460 . 11 1 1 A 37 37 LYS C C 37 173.100 173.552 -0.452 1 1 461 . 11 1 1 A 37 37 LYS CA C 37 55.700 54.940 0.760 1 1 462 . 11 1 1 A 37 37 LYS CB C 37 34.700 34.088 0.612 1 1 466 . 11 1 1 A 37 37 LYS N N 37 113.300 114.562 -1.262 1 1 467 . 11 1 1 A 38 38 GLU H H 38 8.800 8.621 0.179 1 1 468 . 11 1 1 A 38 38 GLU HA H 38 5.360 5.174 0.186 1 1 473 . 11 1 1 A 38 38 GLU C C 38 175.300 175.186 0.114 1 1 474 . 11 1 1 A 38 38 GLU CA C 38 55.400 54.796 0.604 1 1 475 . 11 1 1 A 38 38 GLU CB C 38 32.500 32.609 -0.109 1 1 477 . 11 1 1 A 38 38 GLU N N 38 122.000 120.493 1.507 1 1 478 . 11 1 1 A 39 39 VAL H H 39 9.550 8.986 0.564 1 1 479 . 11 1 1 A 39 39 VAL HA H 39 4.360 4.595 -0.235 1 1 487 . 11 1 1 A 39 39 VAL C C 39 174.500 176.195 -1.695 1 1 488 . 11 1 1 A 39 39 VAL CA C 39 61.600 61.207 0.393 1 1 489 . 11 1 1 A 39 39 VAL CB C 39 34.400 34.436 -0.036 1 1 492 . 11 1 1 A 39 39 VAL N N 39 126.000 126.132 -0.132 1 1 493 . 11 1 1 A 40 40 ASP H H 40 8.960 9.667 -0.707 1 1 494 . 11 1 1 A 40 40 ASP HA H 40 4.340 4.392 -0.052 1 1 497 . 11 1 1 A 40 40 ASP C C 40 175.800 175.529 0.271 1 1 498 . 11 1 1 A 40 40 ASP CA C 40 55.900 55.275 0.625 1 1 499 . 11 1 1 A 40 40 ASP CB C 40 40.700 39.915 0.785 1 1 500 . 11 1 1 A 40 40 ASP N N 40 125.700 127.782 -2.082 1 1 501 . 11 1 1 A 41 41 GLY H H 41 8.870 8.493 0.377 1 1 502 . 11 1 1 A 41 41 GLY HA2 H 41 3.510 3.851 -0.341 1 1 503 . 11 1 1 A 41 41 GLY HA3 H 41 4.190 3.896 0.294 1 1 504 . 11 1 1 A 41 41 GLY C C 41 173.900 174.325 -0.425 1 1 505 . 11 1 1 A 41 41 GLY CA C 41 45.700 45.399 0.301 1 1 506 . 11 1 1 A 41 41 GLY N N 41 105.500 103.873 1.627 1 1 507 . 11 1 1 A 42 42 TRP H H 42 8.580 8.724 -0.144 1 1 508 . 11 1 1 A 42 42 TRP HA H 42 4.700 4.796 -0.096 1 1 517 . 11 1 1 A 42 42 TRP C C 42 175.300 176.114 -0.814 1 1 518 . 11 1 1 A 42 42 TRP CA C 42 56.300 57.561 -1.261 1 1 519 . 11 1 1 A 42 42 TRP CB C 42 31.300 30.997 0.303 1 1 525 . 11 1 1 A 42 42 TRP N N 42 122.900 121.304 1.596 1 1 527 . 11 1 1 A 43 43 TYR H H 43 9.400 9.472 -0.072 1 1 528 . 11 1 1 A 43 43 TYR HA H 43 5.630 5.243 0.387 1 1 535 . 11 1 1 A 43 43 TYR C C 43 175.800 175.461 0.339 1 1 536 . 11 1 1 A 43 43 TYR CA C 43 55.900 56.990 -1.090 1 1 537 . 11 1 1 A 43 43 TYR CB C 43 40.200 40.149 0.051 1 1 542 . 11 1 1 A 43 43 TYR N N 43 119.000 121.513 -2.513 1 1 543 . 11 1 1 A 44 44 GLU H H 44 9.110 8.779 0.331 1 1 544 . 11 1 1 A 44 44 GLU HA H 44 4.040 4.428 -0.388 1 1 549 . 11 1 1 A 44 44 GLU C C 44 175.500 176.196 -0.696 1 1 550 . 11 1 1 A 44 44 GLU CA C 44 55.500 56.128 -0.628 1 1 551 . 11 1 1 A 44 44 GLU CB C 44 31.200 30.777 0.423 1 1 553 . 11 1 1 A 44 44 GLU N N 44 125.600 122.555 3.045 1 1 554 . 11 1 1 A 45 45 ILE H H 45 9.300 8.606 0.694 1 1 555 . 11 1 1 A 45 45 ILE HA H 45 5.550 5.393 0.157 1 1 565 . 11 1 1 A 45 45 ILE C C 45 173.700 173.732 -0.032 1 1 566 . 11 1 1 A 45 45 ILE CA C 45 58.300 58.596 -0.296 1 1 567 . 11 1 1 A 45 45 ILE CB C 45 43.200 42.004 1.196 1 1 571 . 11 1 1 A 45 45 ILE N N 45 122.700 119.406 3.294 1 1 572 . 11 1 1 A 46 46 ARG H H 46 8.730 8.303 0.427 1 1 573 . 11 1 1 A 46 46 ARG HA H 46 5.310 5.492 -0.182 1 1 580 . 11 1 1 A 46 46 ARG C C 46 176.400 174.630 1.770 1 1 581 . 11 1 1 A 46 46 ARG CA C 46 54.400 54.564 -0.164 1 1 582 . 11 1 1 A 46 46 ARG CB C 46 33.600 32.945 0.655 1 1 585 . 11 1 1 A 46 46 ARG N N 46 118.900 122.542 -3.642 1 1 586 . 11 1 1 A 47 47 PHE H H 47 9.080 9.578 -0.498 1 1 587 . 11 1 1 A 47 47 PHE HA H 47 4.850 4.846 0.004 1 1 595 . 11 1 1 A 47 47 PHE C C 47 174.500 174.806 -0.306 1 1 596 . 11 1 1 A 47 47 PHE CA C 47 57.300 57.723 -0.423 1 1 597 . 11 1 1 A 47 47 PHE CB C 47 42.500 42.790 -0.290 1 1 603 . 11 1 1 A 47 47 PHE N N 47 126.500 127.456 -0.956 1 1 604 . 11 1 1 A 48 48 ASN H H 48 9.140 8.744 0.396 1 1 605 . 11 1 1 A 48 48 ASN HA H 48 4.080 4.119 -0.039 1 1 610 . 11 1 1 A 48 48 ASN C C 48 175.100 174.724 0.376 1 1 611 . 11 1 1 A 48 48 ASN CA C 48 53.500 53.772 -0.272 1 1 612 . 11 1 1 A 48 48 ASN CB C 48 37.100 37.268 -0.168 1 1 614 . 11 1 1 A 48 48 ASN N N 48 128.500 125.242 3.258 1 1 616 . 11 1 1 A 49 49 GLY H H 49 8.600 8.544 0.056 1 1 617 . 11 1 1 A 49 49 GLY HA2 H 49 3.510 3.827 -0.317 1 1 618 . 11 1 1 A 49 49 GLY HA3 H 49 4.110 3.827 0.283 1 1 619 . 11 1 1 A 49 49 GLY C C 49 173.600 173.745 -0.145 1 1 620 . 11 1 1 A 49 49 GLY CA C 49 45.600 45.819 -0.219 1 1 621 . 11 1 1 A 49 49 GLY N N 49 103.100 103.678 -0.578 1 1 622 . 11 1 1 A 50 50 LYS H H 50 7.850 7.877 -0.027 1 1 623 . 11 1 1 A 50 50 LYS HA H 50 4.620 4.904 -0.284 1 1 632 . 11 1 1 A 50 50 LYS C C 50 174.600 175.037 -0.437 1 1 633 . 11 1 1 A 50 50 LYS CA C 50 54.900 54.205 0.695 1 1 634 . 11 1 1 A 50 50 LYS CB C 50 35.100 35.675 -0.575 1 1 638 . 11 1 1 A 50 50 LYS N N 50 121.700 120.181 1.519 1 1 639 . 11 1 1 A 51 51 VAL H H 51 8.120 8.800 -0.680 1 1 640 . 11 1 1 A 51 51 VAL HA H 51 5.100 4.834 0.266 1 1 648 . 11 1 1 A 51 51 VAL C C 51 176.100 175.533 0.567 1 1 649 . 11 1 1 A 51 51 VAL CA C 51 60.700 61.086 -0.386 1 1 650 . 11 1 1 A 51 51 VAL CB C 51 33.400 32.116 1.284 1 1 653 . 11 1 1 A 51 51 VAL N N 51 122.100 123.517 -1.417 1 1 654 . 11 1 1 A 52 52 GLY H H 52 8.430 8.779 -0.349 1 1 655 . 11 1 1 A 52 52 GLY HA2 H 52 3.760 4.259 -0.499 1 1 656 . 11 1 1 A 52 52 GLY HA3 H 52 4.230 4.323 -0.093 1 1 657 . 11 1 1 A 52 52 GLY C C 52 170.300 172.391 -2.091 1 1 658 . 11 1 1 A 52 52 GLY CA C 52 45.600 43.946 1.654 1 1 659 . 11 1 1 A 52 52 GLY N N 52 113.100 115.264 -2.164 1 1 660 . 11 1 1 A 53 53 TYR H H 53 9.260 9.070 0.190 1 1 661 . 11 1 1 A 53 53 TYR HA H 53 5.990 5.587 0.403 1 1 668 . 11 1 1 A 53 53 TYR C C 53 175.700 175.227 0.473 1 1 669 . 11 1 1 A 53 53 TYR CA C 53 56.800 56.634 0.166 1 1 670 . 11 1 1 A 53 53 TYR CB C 53 42.800 42.327 0.473 1 1 675 . 11 1 1 A 53 53 TYR N N 53 118.000 119.288 -1.288 1 1 676 . 11 1 1 A 54 54 ALA H H 54 9.210 8.792 0.418 1 1 677 . 11 1 1 A 54 54 ALA HA H 54 5.280 5.126 0.154 1 1 681 . 11 1 1 A 54 54 ALA C C 54 175.800 175.743 0.057 1 1 682 . 11 1 1 A 54 54 ALA CA C 54 50.900 51.523 -0.623 1 1 683 . 11 1 1 A 54 54 ALA CB C 54 23.800 23.384 0.416 1 1 684 . 11 1 1 A 54 54 ALA N N 54 122.000 122.191 -0.191 1 1 685 . 11 1 1 A 55 55 SER H H 55 8.620 8.751 -0.131 1 1 686 . 11 1 1 A 55 55 SER HA H 55 3.270 4.188 -0.918 1 1 689 . 11 1 1 A 55 55 SER C C 55 175.400 175.513 -0.113 1 1 690 . 11 1 1 A 55 55 SER CA C 55 59.100 57.983 1.117 1 1 691 . 11 1 1 A 55 55 SER CB C 55 63.200 63.358 -0.158 1 1 692 . 11 1 1 A 55 55 SER N N 55 117.400 115.408 1.992 1 1 693 . 11 1 1 A 56 56 LYS H H 56 7.630 8.421 -0.791 1 1 694 . 11 1 1 A 56 56 LYS HA H 56 3.750 3.216 0.534 1 1 703 . 11 1 1 A 56 56 LYS C C 56 177.100 178.092 -0.992 1 1 704 . 11 1 1 A 56 56 LYS CA C 56 58.600 58.127 0.473 1 1 705 . 11 1 1 A 56 56 LYS CB C 56 32.300 31.342 0.958 1 1 709 . 11 1 1 A 56 56 LYS N N 56 124.500 124.563 -0.063 1 1 710 . 11 1 1 A 57 57 SER H H 57 7.670 7.422 0.248 1 1 711 . 11 1 1 A 57 57 SER HA H 57 3.930 4.009 -0.079 1 1 714 . 11 1 1 A 57 57 SER C C 57 174.100 174.874 -0.774 1 1 715 . 11 1 1 A 57 57 SER CA C 57 60.700 60.270 0.430 1 1 716 . 11 1 1 A 57 57 SER CB C 57 62.800 62.416 0.384 1 1 717 . 11 1 1 A 57 57 SER N N 57 112.000 115.196 -3.196 1 1 718 . 11 1 1 A 58 58 TYR H H 58 6.990 7.651 -0.661 1 1 719 . 11 1 1 A 58 58 TYR HA H 58 4.800 4.592 0.208 1 1 726 . 11 1 1 A 58 58 TYR C C 58 173.300 175.074 -1.774 1 1 727 . 11 1 1 A 58 58 TYR CA C 58 57.400 58.687 -1.287 1 1 728 . 11 1 1 A 58 58 TYR CB C 58 40.500 39.791 0.709 1 1 733 . 11 1 1 A 58 58 TYR N N 58 116.100 118.148 -2.048 1 1 734 . 11 1 1 A 59 59 ILE H H 59 7.300 7.590 -0.290 1 1 735 . 11 1 1 A 59 59 ILE HA H 59 4.790 4.770 0.020 1 1 745 . 11 1 1 A 59 59 ILE C C 59 174.500 174.783 -0.283 1 1 746 . 11 1 1 A 59 59 ILE CA C 59 59.300 60.097 -0.797 1 1 747 . 11 1 1 A 59 59 ILE CB C 59 40.800 39.069 1.731 1 1 751 . 11 1 1 A 59 59 ILE N N 59 119.000 119.679 -0.679 1 1 752 . 11 1 1 A 60 60 THR H H 60 8.980 9.019 -0.039 1 1 753 . 11 1 1 A 60 60 THR HA H 60 4.580 4.961 -0.381 1 1 758 . 11 1 1 A 60 60 THR C C 60 173.800 174.103 -0.303 1 1 759 . 11 1 1 A 60 60 THR CA C 60 60.800 61.944 -1.144 1 1 760 . 11 1 1 A 60 60 THR CB C 60 71.100 70.420 0.680 1 1 762 . 11 1 1 A 60 60 THR N N 60 123.600 124.315 -0.715 1 1 763 . 11 1 1 A 61 61 ILE H H 61 8.680 8.872 -0.192 1 1 764 . 11 1 1 A 61 61 ILE HA H 61 4.180 4.355 -0.175 1 1 774 . 11 1 1 A 61 61 ILE C C 61 176.400 175.696 0.704 1 1 775 . 11 1 1 A 61 61 ILE CA C 61 61.800 61.443 0.357 1 1 776 . 11 1 1 A 61 61 ILE CB C 61 37.900 37.699 0.201 1 1 780 . 11 1 1 A 61 61 ILE N N 61 127.200 128.205 -1.005 1 1 781 . 11 1 1 A 62 62 VAL H H 62 8.370 8.687 -0.317 1 1 782 . 11 1 1 A 62 62 VAL HA H 62 4.140 4.404 -0.264 1 1 790 . 11 1 1 A 62 62 VAL C C 62 175.200 176.160 -0.960 1 1 791 . 11 1 1 A 62 62 VAL CA C 62 61.800 61.440 0.360 1 1 792 . 11 1 1 A 62 62 VAL CB C 62 33.200 32.732 0.468 1 1 795 . 11 1 1 A 62 62 VAL N N 62 126.600 127.708 -1.108 1 1 796 . 11 1 1 A 63 63 ASN H H 63 8.590 8.779 -0.189 1 1 797 . 11 1 1 A 63 63 ASN HA H 63 4.730 4.501 0.229 1 1 802 . 11 1 1 A 63 63 ASN C C 63 175.200 175.469 -0.269 1 1 803 . 11 1 1 A 63 63 ASN CA C 63 53.200 54.375 -1.175 1 1 804 . 11 1 1 A 63 63 ASN CB C 63 39.100 37.294 1.806 1 1 806 . 11 1 1 A 63 63 ASN N N 63 123.500 123.453 0.047 1 1 808 . 11 1 1 A 64 64 GLU H H 64 8.620 8.867 -0.247 1 1 809 . 11 1 1 A 64 64 GLU HA H 64 4.250 4.356 -0.106 1 1 814 . 11 1 1 A 64 64 GLU C C 64 177.000 176.232 0.768 1 1 815 . 11 1 1 A 64 64 GLU CA C 64 57.100 56.504 0.596 1 1 816 . 11 1 1 A 64 64 GLU CB C 64 30.400 29.865 0.535 1 1 818 . 11 1 1 A 64 64 GLU N N 64 122.700 123.474 -0.774 1 1 819 . 11 1 1 A 65 65 GLY H H 65 8.490 7.799 0.691 1 1 820 . 11 1 1 A 65 65 GLY HA2 H 65 3.980 4.081 -0.101 1 1 821 . 11 1 1 A 65 65 GLY HA3 H 65 3.980 4.354 -0.374 1 1 822 . 11 1 1 A 65 65 GLY C C 65 174.300 175.067 -0.767 1 1 823 . 11 1 1 A 65 65 GLY CA C 65 45.500 45.529 -0.029 1 1 824 . 11 1 1 A 65 65 GLY N N 65 109.600 107.261 2.339 1 1 825 . 11 1 1 A 66 66 SER H H 66 8.180 8.318 -0.138 1 1 826 . 11 1 1 A 66 66 SER HA H 66 4.450 4.324 0.126 1 1 829 . 11 1 1 A 66 66 SER C C 66 174.900 173.497 1.403 1 1 830 . 11 1 1 A 66 66 SER CA C 66 58.300 60.693 -2.393 1 1 831 . 11 1 1 A 66 66 SER CB C 66 63.700 62.835 0.865 1 1 832 . 11 1 1 A 66 66 SER N N 66 115.500 115.297 0.203 1 1 833 . 11 1 1 A 67 67 LEU H H 67 8.300 8.443 -0.143 1 1 834 . 11 1 1 A 67 67 LEU HA H 67 4.300 4.282 0.018 1 1 844 . 11 1 1 A 67 67 LEU C C 67 177.500 176.807 0.693 1 1 845 . 11 1 1 A 67 67 LEU CA C 67 55.400 54.961 0.439 1 1 846 . 11 1 1 A 67 67 LEU CB C 67 42.200 42.479 -0.279 1 1 850 . 11 1 1 A 67 67 LEU N N 67 123.800 122.740 1.060 1 1 851 . 11 1 1 A 68 68 GLU H H 68 8.270 8.491 -0.221 1 1 852 . 11 1 1 A 68 68 GLU HA H 68 4.160 4.243 -0.083 1 1 857 . 11 1 1 A 68 68 GLU CA C 68 56.900 57.382 -0.482 1 1 858 . 11 1 1 A 68 68 GLU CB C 68 30.100 29.980 0.120 1 1 860 . 11 1 1 A 68 68 GLU N N 68 120.700 121.163 -0.463 1 1 861 . 11 1 1 A 69 69 HIS C C 69 173.900 175.340 -1.440 1 1 862 . 11 1 1 A 70 70 HIS H H 70 8.140 7.999 0.141 1 1 863 . 11 1 1 A 70 70 HIS CA C 70 57.200 54.703 2.497 1 1 864 . 11 1 1 A 70 70 HIS CB C 70 30.200 30.954 -0.754 1 1 14 . 12 1 1 A 2 2 GLN H H 2 9.330 8.926 0.404 1 1 15 . 12 1 1 A 2 2 GLN HA H 2 5.000 5.061 -0.061 1 1 22 . 12 1 1 A 2 2 GLN C C 2 174.500 175.512 -1.012 1 1 23 . 12 1 1 A 2 2 GLN CA C 2 55.500 54.041 1.459 1 1 24 . 12 1 1 A 2 2 GLN CB C 2 31.700 31.151 0.549 1 1 26 . 12 1 1 A 2 2 GLN N N 2 125.400 125.583 -0.183 1 1 28 . 12 1 1 A 3 3 GLY H H 3 8.860 8.862 -0.002 1 1 29 . 12 1 1 A 3 3 GLY HA2 H 3 3.070 4.087 -1.017 1 1 30 . 12 1 1 A 3 3 GLY HA3 H 3 5.250 4.119 1.131 1 1 31 . 12 1 1 A 3 3 GLY C C 3 171.800 172.125 -0.325 1 1 32 . 12 1 1 A 3 3 GLY CA C 3 44.300 44.280 0.020 1 1 33 . 12 1 1 A 3 3 GLY N N 3 108.200 112.937 -4.737 1 1 34 . 12 1 1 A 4 4 VAL H H 4 9.060 8.862 0.198 1 1 35 . 12 1 1 A 4 4 VAL HA H 4 5.080 5.100 -0.020 1 1 43 . 12 1 1 A 4 4 VAL C C 4 174.500 175.066 -0.566 1 1 44 . 12 1 1 A 4 4 VAL CA C 4 59.800 60.505 -0.705 1 1 45 . 12 1 1 A 4 4 VAL CB C 4 35.300 34.362 0.938 1 1 48 . 12 1 1 A 4 4 VAL N N 4 120.200 122.859 -2.659 1 1 49 . 12 1 1 A 5 5 VAL H H 5 8.750 8.889 -0.139 1 1 50 . 12 1 1 A 5 5 VAL HA H 5 4.190 4.206 -0.016 1 1 58 . 12 1 1 A 5 5 VAL C C 5 175.800 175.268 0.532 1 1 59 . 12 1 1 A 5 5 VAL CA C 5 62.800 62.384 0.416 1 1 60 . 12 1 1 A 5 5 VAL CB C 5 31.900 32.020 -0.120 1 1 63 . 12 1 1 A 5 5 VAL N N 5 128.600 128.174 0.426 1 1 64 . 12 1 1 A 6 6 LYS H H 6 8.830 9.547 -0.717 1 1 65 . 12 1 1 A 6 6 LYS HA H 6 5.250 4.938 0.312 1 1 74 . 12 1 1 A 6 6 LYS C C 6 174.800 175.286 -0.486 1 1 75 . 12 1 1 A 6 6 LYS CA C 6 54.300 55.108 -0.808 1 1 76 . 12 1 1 A 6 6 LYS CB C 6 33.200 33.683 -0.483 1 1 80 . 12 1 1 A 6 6 LYS N N 6 131.400 127.410 3.990 1 1 81 . 12 1 1 A 7 7 VAL H H 7 8.270 8.552 -0.282 1 1 82 . 12 1 1 A 7 7 VAL HA H 7 4.640 4.867 -0.227 1 1 90 . 12 1 1 A 7 7 VAL C C 7 173.400 175.880 -2.480 1 1 91 . 12 1 1 A 7 7 VAL CA C 7 59.700 59.908 -0.208 1 1 92 . 12 1 1 A 7 7 VAL CB C 7 35.400 35.822 -0.422 1 1 95 . 12 1 1 A 7 7 VAL N N 7 119.000 123.299 -4.299 1 1 96 . 12 1 1 A 8 8 ASN H H 8 8.560 9.061 -0.501 1 1 97 . 12 1 1 A 8 8 ASN HA H 8 4.690 4.423 0.267 1 1 102 . 12 1 1 A 8 8 ASN C C 8 175.600 175.464 0.136 1 1 103 . 12 1 1 A 8 8 ASN CA C 8 54.500 56.101 -1.601 1 1 104 . 12 1 1 A 8 8 ASN CB C 8 38.700 39.016 -0.316 1 1 106 . 12 1 1 A 8 8 ASN N N 8 120.700 126.260 -5.560 1 1 108 . 12 1 1 A 9 9 SER H H 9 7.630 8.024 -0.394 1 1 109 . 12 1 1 A 9 9 SER HA H 9 4.450 4.772 -0.322 1 1 112 . 12 1 1 A 9 9 SER C C 9 172.800 173.281 -0.481 1 1 113 . 12 1 1 A 9 9 SER CA C 9 58.100 58.462 -0.362 1 1 114 . 12 1 1 A 9 9 SER CB C 9 63.500 64.533 -1.033 1 1 115 . 12 1 1 A 9 9 SER N N 9 112.800 111.083 1.717 1 1 116 . 12 1 1 A 10 10 ALA H H 10 8.330 8.283 0.047 1 1 117 . 12 1 1 A 10 10 ALA HA H 10 4.530 5.003 -0.473 1 1 121 . 12 1 1 A 10 10 ALA C C 10 175.300 175.121 0.179 1 1 122 . 12 1 1 A 10 10 ALA CA C 10 52.400 49.945 2.455 1 1 123 . 12 1 1 A 10 10 ALA CB C 10 20.900 22.638 -1.738 1 1 124 . 12 1 1 A 10 10 ALA N N 10 123.900 120.435 3.465 1 1 125 . 12 1 1 A 11 11 LEU H H 11 8.930 8.703 0.227 1 1 126 . 12 1 1 A 11 11 LEU HA H 11 4.530 5.062 -0.532 1 1 136 . 12 1 1 A 11 11 LEU C C 11 175.300 175.069 0.231 1 1 137 . 12 1 1 A 11 11 LEU CA C 11 52.600 53.215 -0.615 1 1 138 . 12 1 1 A 11 11 LEU CB C 11 45.900 45.434 0.466 1 1 142 . 12 1 1 A 11 11 LEU N N 11 123.600 123.631 -0.031 1 1 143 . 12 1 1 A 12 12 ASN H H 12 8.800 8.544 0.256 1 1 144 . 12 1 1 A 12 12 ASN HA H 12 5.030 5.039 -0.009 1 1 149 . 12 1 1 A 12 12 ASN C C 12 174.000 174.738 -0.738 1 1 150 . 12 1 1 A 12 12 ASN CA C 12 53.800 53.118 0.682 1 1 151 . 12 1 1 A 12 12 ASN CB C 12 39.500 39.581 -0.081 1 1 153 . 12 1 1 A 12 12 ASN N N 12 123.600 124.824 -1.224 1 1 155 . 12 1 1 A 13 13 MET H H 13 8.630 9.070 -0.440 1 1 156 . 12 1 1 A 13 13 MET HA H 13 4.970 5.189 -0.219 1 1 164 . 12 1 1 A 13 13 MET C C 13 176.000 175.330 0.670 1 1 165 . 12 1 1 A 13 13 MET CA C 13 54.900 54.074 0.826 1 1 166 . 12 1 1 A 13 13 MET CB C 13 35.200 35.184 0.016 1 1 169 . 12 1 1 A 13 13 MET N N 13 122.600 124.283 -1.683 1 1 170 . 12 1 1 A 14 14 ARG H H 14 9.730 8.489 1.241 1 1 171 . 12 1 1 A 14 14 ARG HA H 14 5.760 4.903 0.857 1 1 178 . 12 1 1 A 14 14 ARG C C 14 177.700 176.587 1.113 1 1 179 . 12 1 1 A 14 14 ARG CA C 14 54.900 54.015 0.885 1 1 180 . 12 1 1 A 14 14 ARG CB C 14 34.600 33.368 1.232 1 1 183 . 12 1 1 A 14 14 ARG N N 14 125.200 125.207 -0.007 1 1 184 . 12 1 1 A 15 15 SER H H 15 9.010 8.811 0.199 1 1 185 . 12 1 1 A 15 15 SER HA H 15 4.580 4.544 0.036 1 1 188 . 12 1 1 A 15 15 SER C C 15 173.100 174.242 -1.142 1 1 189 . 12 1 1 A 15 15 SER CA C 15 59.100 59.278 -0.178 1 1 190 . 12 1 1 A 15 15 SER CB C 15 63.600 63.850 -0.250 1 1 191 . 12 1 1 A 15 15 SER N N 15 113.600 115.523 -1.923 1 1 192 . 12 1 1 A 16 16 GLY H H 16 6.940 7.153 -0.213 1 1 193 . 12 1 1 A 16 16 GLY HA2 H 16 1.050 2.262 -1.212 1 1 194 . 12 1 1 A 16 16 GLY HA3 H 16 3.010 2.896 0.114 1 1 195 . 12 1 1 A 16 16 GLY CA C 16 43.700 44.056 -0.356 1 1 196 . 12 1 1 A 16 16 GLY N N 16 109.500 108.093 1.407 1 1 197 . 12 1 1 A 17 17 PRO HA H 17 3.070 2.975 0.095 1 1 204 . 12 1 1 A 17 17 PRO C C 17 172.400 175.356 -2.956 1 1 205 . 12 1 1 A 17 17 PRO CA C 17 60.200 61.944 -1.744 1 1 206 . 12 1 1 A 17 17 PRO CB C 17 28.300 29.631 -1.331 1 1 209 . 12 1 1 A 18 18 GLY H H 18 6.650 7.008 -0.358 1 1 210 . 12 1 1 A 18 18 GLY HA2 H 18 3.630 4.125 -0.495 1 1 211 . 12 1 1 A 18 18 GLY HA3 H 18 4.010 4.197 -0.187 1 1 212 . 12 1 1 A 18 18 GLY C C 18 173.200 174.543 -1.343 1 1 213 . 12 1 1 A 18 18 GLY CA C 18 46.200 45.481 0.719 1 1 214 . 12 1 1 A 18 18 GLY N N 18 110.400 110.091 0.309 1 1 215 . 12 1 1 A 19 19 SER H H 19 8.960 9.004 -0.044 1 1 216 . 12 1 1 A 19 19 SER HA H 19 4.200 4.250 -0.050 1 1 219 . 12 1 1 A 19 19 SER C C 19 173.600 175.412 -1.812 1 1 220 . 12 1 1 A 19 19 SER CA C 19 60.600 60.124 0.476 1 1 221 . 12 1 1 A 19 19 SER CB C 19 63.200 62.904 0.296 1 1 222 . 12 1 1 A 19 19 SER N N 19 115.800 117.196 -1.396 1 1 223 . 12 1 1 A 20 20 ASN H H 20 8.720 8.288 0.432 1 1 224 . 12 1 1 A 20 20 ASN HA H 20 4.560 4.547 0.013 1 1 229 . 12 1 1 A 20 20 ASN C C 20 175.300 176.102 -0.802 1 1 230 . 12 1 1 A 20 20 ASN CA C 20 53.300 54.482 -1.182 1 1 231 . 12 1 1 A 20 20 ASN CB C 20 37.300 37.892 -0.592 1 1 233 . 12 1 1 A 20 20 ASN N N 20 115.000 118.277 -3.277 1 1 235 . 12 1 1 A 21 21 TYR H H 21 7.040 7.678 -0.638 1 1 236 . 12 1 1 A 21 21 TYR HA H 21 4.290 4.576 -0.286 1 1 243 . 12 1 1 A 21 21 TYR C C 21 175.700 176.179 -0.479 1 1 244 . 12 1 1 A 21 21 TYR CA C 21 58.800 57.977 0.823 1 1 245 . 12 1 1 A 21 21 TYR CB C 21 39.400 38.735 0.665 1 1 250 . 12 1 1 A 21 21 TYR N N 21 119.200 116.036 3.164 1 1 251 . 12 1 1 A 22 22 GLY H H 22 8.450 7.726 0.724 1 1 252 . 12 1 1 A 22 22 GLY HA2 H 22 3.820 4.039 -0.219 1 1 253 . 12 1 1 A 22 22 GLY HA3 H 22 4.090 4.040 0.050 1 1 254 . 12 1 1 A 22 22 GLY C C 22 172.700 173.119 -0.419 1 1 255 . 12 1 1 A 22 22 GLY CA C 22 45.300 45.014 0.286 1 1 256 . 12 1 1 A 22 22 GLY N N 22 107.800 108.494 -0.694 1 1 257 . 12 1 1 A 23 23 VAL H H 23 8.470 8.305 0.165 1 1 258 . 12 1 1 A 23 23 VAL HA H 23 4.320 5.007 -0.687 1 1 266 . 12 1 1 A 23 23 VAL C C 23 178.000 176.746 1.254 1 1 267 . 12 1 1 A 23 23 VAL CA C 23 63.700 60.590 3.110 1 1 268 . 12 1 1 A 23 23 VAL CB C 23 32.700 33.953 -1.253 1 1 271 . 12 1 1 A 23 23 VAL N N 23 120.200 119.687 0.513 1 1 272 . 12 1 1 A 24 24 ILE H H 24 9.120 8.613 0.507 1 1 273 . 12 1 1 A 24 24 ILE HA H 24 4.740 4.614 0.126 1 1 283 . 12 1 1 A 24 24 ILE C C 24 175.300 175.676 -0.376 1 1 284 . 12 1 1 A 24 24 ILE CA C 24 60.500 60.941 -0.441 1 1 285 . 12 1 1 A 24 24 ILE CB C 24 39.900 38.755 1.145 1 1 289 . 12 1 1 A 24 24 ILE N N 24 120.900 124.663 -3.763 1 1 290 . 12 1 1 A 25 25 GLY H H 25 7.770 7.493 0.277 1 1 291 . 12 1 1 A 25 25 GLY HA2 H 25 4.130 4.139 -0.009 1 1 292 . 12 1 1 A 25 25 GLY HA3 H 25 4.310 4.139 0.171 1 1 293 . 12 1 1 A 25 25 GLY C C 25 171.100 171.333 -0.233 1 1 294 . 12 1 1 A 25 25 GLY CA C 25 45.500 45.648 -0.148 1 1 295 . 12 1 1 A 25 25 GLY N N 25 109.200 108.821 0.379 1 1 296 . 12 1 1 A 26 26 THR H H 26 8.440 8.437 0.003 1 1 297 . 12 1 1 A 26 26 THR HA H 26 5.080 5.521 -0.441 1 1 302 . 12 1 1 A 26 26 THR C C 26 173.000 173.355 -0.355 1 1 303 . 12 1 1 A 26 26 THR CA C 26 61.400 59.666 1.734 1 1 304 . 12 1 1 A 26 26 THR CB C 26 72.200 72.308 -0.108 1 1 306 . 12 1 1 A 26 26 THR N N 26 113.900 111.807 2.093 1 1 307 . 12 1 1 A 27 27 LEU H H 27 9.180 9.265 -0.085 1 1 308 . 12 1 1 A 27 27 LEU HA H 27 4.480 4.970 -0.490 1 1 318 . 12 1 1 A 27 27 LEU C C 27 174.900 175.843 -0.943 1 1 319 . 12 1 1 A 27 27 LEU CA C 27 53.400 53.322 0.078 1 1 320 . 12 1 1 A 27 27 LEU CB C 27 45.000 44.861 0.139 1 1 324 . 12 1 1 A 27 27 LEU N N 27 125.600 123.091 2.509 1 1 325 . 12 1 1 A 28 28 ARG H H 28 9.280 8.999 0.281 1 1 326 . 12 1 1 A 28 28 ARG HA H 28 4.510 4.607 -0.097 1 1 333 . 12 1 1 A 28 28 ARG C C 28 175.300 175.972 -0.672 1 1 334 . 12 1 1 A 28 28 ARG CA C 28 53.300 54.691 -1.391 1 1 335 . 12 1 1 A 28 28 ARG CB C 28 33.100 31.783 1.317 1 1 338 . 12 1 1 A 28 28 ARG N N 28 120.600 121.648 -1.048 1 1 339 . 12 1 1 A 29 29 ASN H H 29 8.360 8.708 -0.348 1 1 340 . 12 1 1 A 29 29 ASN HA H 29 4.070 4.622 -0.552 1 1 345 . 12 1 1 A 29 29 ASN C C 29 176.500 175.553 0.947 1 1 346 . 12 1 1 A 29 29 ASN CA C 29 56.100 53.405 2.695 1 1 347 . 12 1 1 A 29 29 ASN CB C 29 39.300 38.763 0.537 1 1 349 . 12 1 1 A 29 29 ASN N N 29 117.200 119.795 -2.595 1 1 351 . 12 1 1 A 30 30 ASN H H 30 9.290 8.852 0.438 1 1 352 . 12 1 1 A 30 30 ASN HA H 30 4.300 4.312 -0.012 1 1 357 . 12 1 1 A 30 30 ASN C C 30 175.100 173.806 1.294 1 1 358 . 12 1 1 A 30 30 ASN CA C 30 55.500 54.141 1.359 1 1 359 . 12 1 1 A 30 30 ASN CB C 30 37.300 37.926 -0.626 1 1 361 . 12 1 1 A 30 30 ASN N N 30 118.900 118.789 0.111 1 1 363 . 12 1 1 A 31 31 ASP H H 31 8.210 8.079 0.131 1 1 364 . 12 1 1 A 31 31 ASP HA H 31 4.700 4.677 0.023 1 1 367 . 12 1 1 A 31 31 ASP C C 31 175.300 175.656 -0.356 1 1 368 . 12 1 1 A 31 31 ASP CA C 31 56.500 54.428 2.072 1 1 369 . 12 1 1 A 31 31 ASP CB C 31 41.200 41.618 -0.418 1 1 370 . 12 1 1 A 31 31 ASP N N 31 122.300 119.085 3.215 1 1 371 . 12 1 1 A 32 32 LYS H H 32 8.510 8.619 -0.109 1 1 372 . 12 1 1 A 32 32 LYS HA H 32 5.140 5.225 -0.085 1 1 381 . 12 1 1 A 32 32 LYS C C 32 176.600 175.900 0.700 1 1 382 . 12 1 1 A 32 32 LYS CA C 32 55.400 55.258 0.142 1 1 383 . 12 1 1 A 32 32 LYS CB C 32 33.500 33.830 -0.330 1 1 387 . 12 1 1 A 32 32 LYS N N 32 121.500 122.854 -1.354 1 1 388 . 12 1 1 A 33 33 VAL H H 33 8.650 8.591 0.059 1 1 389 . 12 1 1 A 33 33 VAL HA H 33 5.020 4.904 0.116 1 1 397 . 12 1 1 A 33 33 VAL C C 33 174.200 174.045 0.155 1 1 398 . 12 1 1 A 33 33 VAL CA C 33 58.200 58.681 -0.481 1 1 399 . 12 1 1 A 33 33 VAL CB C 33 34.900 35.706 -0.806 1 1 402 . 12 1 1 A 33 33 VAL N N 33 113.500 117.628 -4.128 1 1 403 . 12 1 1 A 34 34 GLU H H 34 8.070 8.523 -0.453 1 1 404 . 12 1 1 A 34 34 GLU HA H 34 4.780 4.622 0.158 1 1 409 . 12 1 1 A 34 34 GLU C C 34 176.000 175.667 0.333 1 1 410 . 12 1 1 A 34 34 GLU CA C 34 55.000 55.860 -0.860 1 1 411 . 12 1 1 A 34 34 GLU CB C 34 31.400 30.815 0.585 1 1 413 . 12 1 1 A 34 34 GLU N N 34 122.300 122.642 -0.342 1 1 414 . 12 1 1 A 35 35 ILE H H 35 8.610 8.847 -0.237 1 1 415 . 12 1 1 A 35 35 ILE HA H 35 4.100 4.565 -0.465 1 1 425 . 12 1 1 A 35 35 ILE C C 35 175.600 175.601 -0.001 1 1 426 . 12 1 1 A 35 35 ILE CA C 35 61.200 60.748 0.452 1 1 427 . 12 1 1 A 35 35 ILE CB C 35 38.800 38.076 0.724 1 1 431 . 12 1 1 A 35 35 ILE N N 35 125.500 127.034 -1.534 1 1 432 . 12 1 1 A 36 36 ILE H H 36 9.450 8.787 0.663 1 1 433 . 12 1 1 A 36 36 ILE HA H 36 3.990 4.089 -0.099 1 1 443 . 12 1 1 A 36 36 ILE C C 36 176.500 176.280 0.220 1 1 444 . 12 1 1 A 36 36 ILE CA C 36 63.100 63.059 0.041 1 1 445 . 12 1 1 A 36 36 ILE CB C 36 38.800 38.520 0.280 1 1 449 . 12 1 1 A 36 36 ILE N N 36 129.500 129.116 0.384 1 1 450 . 12 1 1 A 37 37 LYS H H 37 7.630 7.603 0.027 1 1 451 . 12 1 1 A 37 37 LYS HA H 37 4.670 4.726 -0.056 1 1 460 . 12 1 1 A 37 37 LYS C C 37 173.100 173.759 -0.659 1 1 461 . 12 1 1 A 37 37 LYS CA C 37 55.700 55.195 0.505 1 1 462 . 12 1 1 A 37 37 LYS CB C 37 34.700 34.646 0.054 1 1 466 . 12 1 1 A 37 37 LYS N N 37 113.300 115.066 -1.766 1 1 467 . 12 1 1 A 38 38 GLU H H 38 8.800 8.921 -0.121 1 1 468 . 12 1 1 A 38 38 GLU HA H 38 5.360 5.279 0.081 1 1 473 . 12 1 1 A 38 38 GLU C C 38 175.300 175.236 0.064 1 1 474 . 12 1 1 A 38 38 GLU CA C 38 55.400 55.054 0.346 1 1 475 . 12 1 1 A 38 38 GLU CB C 38 32.500 32.385 0.115 1 1 477 . 12 1 1 A 38 38 GLU N N 38 122.000 122.022 -0.022 1 1 478 . 12 1 1 A 39 39 VAL H H 39 9.550 9.067 0.483 1 1 479 . 12 1 1 A 39 39 VAL HA H 39 4.360 4.557 -0.197 1 1 487 . 12 1 1 A 39 39 VAL C C 39 174.500 175.659 -1.159 1 1 488 . 12 1 1 A 39 39 VAL CA C 39 61.600 61.157 0.443 1 1 489 . 12 1 1 A 39 39 VAL CB C 39 34.400 34.394 0.006 1 1 492 . 12 1 1 A 39 39 VAL N N 39 126.000 126.163 -0.163 1 1 493 . 12 1 1 A 40 40 ASP H H 40 8.960 9.486 -0.526 1 1 494 . 12 1 1 A 40 40 ASP HA H 40 4.340 4.403 -0.063 1 1 497 . 12 1 1 A 40 40 ASP C C 40 175.800 176.293 -0.493 1 1 498 . 12 1 1 A 40 40 ASP CA C 40 55.900 55.640 0.260 1 1 499 . 12 1 1 A 40 40 ASP CB C 40 40.700 39.653 1.047 1 1 500 . 12 1 1 A 40 40 ASP N N 40 125.700 129.031 -3.331 1 1 501 . 12 1 1 A 41 41 GLY H H 41 8.870 8.307 0.563 1 1 502 . 12 1 1 A 41 41 GLY HA2 H 41 3.510 3.706 -0.196 1 1 503 . 12 1 1 A 41 41 GLY HA3 H 41 4.190 3.734 0.456 1 1 504 . 12 1 1 A 41 41 GLY C C 41 173.900 174.096 -0.196 1 1 505 . 12 1 1 A 41 41 GLY CA C 41 45.700 45.255 0.445 1 1 506 . 12 1 1 A 41 41 GLY N N 41 105.500 104.884 0.616 1 1 507 . 12 1 1 A 42 42 TRP H H 42 8.580 8.471 0.109 1 1 508 . 12 1 1 A 42 42 TRP HA H 42 4.700 4.694 0.006 1 1 517 . 12 1 1 A 42 42 TRP C C 42 175.300 175.650 -0.350 1 1 518 . 12 1 1 A 42 42 TRP CA C 42 56.300 57.437 -1.137 1 1 519 . 12 1 1 A 42 42 TRP CB C 42 31.300 30.686 0.614 1 1 525 . 12 1 1 A 42 42 TRP N N 42 122.900 121.022 1.878 1 1 527 . 12 1 1 A 43 43 TYR H H 43 9.400 8.699 0.701 1 1 528 . 12 1 1 A 43 43 TYR HA H 43 5.630 5.195 0.435 1 1 535 . 12 1 1 A 43 43 TYR C C 43 175.800 175.498 0.302 1 1 536 . 12 1 1 A 43 43 TYR CA C 43 55.900 56.979 -1.079 1 1 537 . 12 1 1 A 43 43 TYR CB C 43 40.200 40.866 -0.666 1 1 542 . 12 1 1 A 43 43 TYR N N 43 119.000 121.880 -2.880 1 1 543 . 12 1 1 A 44 44 GLU H H 44 9.110 9.013 0.097 1 1 544 . 12 1 1 A 44 44 GLU HA H 44 4.040 4.674 -0.634 1 1 549 . 12 1 1 A 44 44 GLU C C 44 175.500 176.235 -0.735 1 1 550 . 12 1 1 A 44 44 GLU CA C 44 55.500 56.224 -0.724 1 1 551 . 12 1 1 A 44 44 GLU CB C 44 31.200 30.781 0.419 1 1 553 . 12 1 1 A 44 44 GLU N N 44 125.600 122.648 2.952 1 1 554 . 12 1 1 A 45 45 ILE H H 45 9.300 8.655 0.645 1 1 555 . 12 1 1 A 45 45 ILE HA H 45 5.550 5.405 0.145 1 1 565 . 12 1 1 A 45 45 ILE C C 45 173.700 173.641 0.059 1 1 566 . 12 1 1 A 45 45 ILE CA C 45 58.300 58.663 -0.363 1 1 567 . 12 1 1 A 45 45 ILE CB C 45 43.200 42.105 1.095 1 1 571 . 12 1 1 A 45 45 ILE N N 45 122.700 119.406 3.294 1 1 572 . 12 1 1 A 46 46 ARG H H 46 8.730 8.453 0.277 1 1 573 . 12 1 1 A 46 46 ARG HA H 46 5.310 5.292 0.018 1 1 580 . 12 1 1 A 46 46 ARG C C 46 176.400 174.831 1.569 1 1 581 . 12 1 1 A 46 46 ARG CA C 46 54.400 54.419 -0.019 1 1 582 . 12 1 1 A 46 46 ARG CB C 46 33.600 32.867 0.733 1 1 585 . 12 1 1 A 46 46 ARG N N 46 118.900 122.853 -3.953 1 1 586 . 12 1 1 A 47 47 PHE H H 47 9.080 9.868 -0.788 1 1 587 . 12 1 1 A 47 47 PHE HA H 47 4.850 4.873 -0.023 1 1 595 . 12 1 1 A 47 47 PHE C C 47 174.500 174.793 -0.293 1 1 596 . 12 1 1 A 47 47 PHE CA C 47 57.300 57.712 -0.412 1 1 597 . 12 1 1 A 47 47 PHE CB C 47 42.500 42.663 -0.163 1 1 603 . 12 1 1 A 47 47 PHE N N 47 126.500 127.486 -0.986 1 1 604 . 12 1 1 A 48 48 ASN H H 48 9.140 8.784 0.356 1 1 605 . 12 1 1 A 48 48 ASN HA H 48 4.080 4.182 -0.102 1 1 610 . 12 1 1 A 48 48 ASN C C 48 175.100 174.702 0.398 1 1 611 . 12 1 1 A 48 48 ASN CA C 48 53.500 53.823 -0.323 1 1 612 . 12 1 1 A 48 48 ASN CB C 48 37.100 37.328 -0.228 1 1 614 . 12 1 1 A 48 48 ASN N N 48 128.500 125.529 2.971 1 1 616 . 12 1 1 A 49 49 GLY H H 49 8.600 8.586 0.014 1 1 617 . 12 1 1 A 49 49 GLY HA2 H 49 3.510 3.820 -0.310 1 1 618 . 12 1 1 A 49 49 GLY HA3 H 49 4.110 3.822 0.288 1 1 619 . 12 1 1 A 49 49 GLY C C 49 173.600 173.508 0.092 1 1 620 . 12 1 1 A 49 49 GLY CA C 49 45.600 45.372 0.228 1 1 621 . 12 1 1 A 49 49 GLY N N 49 103.100 103.622 -0.522 1 1 622 . 12 1 1 A 50 50 LYS H H 50 7.850 7.919 -0.069 1 1 623 . 12 1 1 A 50 50 LYS HA H 50 4.620 4.704 -0.084 1 1 632 . 12 1 1 A 50 50 LYS C C 50 174.600 174.878 -0.278 1 1 633 . 12 1 1 A 50 50 LYS CA C 50 54.900 54.808 0.092 1 1 634 . 12 1 1 A 50 50 LYS CB C 50 35.100 35.183 -0.083 1 1 638 . 12 1 1 A 50 50 LYS N N 50 121.700 121.468 0.232 1 1 639 . 12 1 1 A 51 51 VAL H H 51 8.120 8.669 -0.549 1 1 640 . 12 1 1 A 51 51 VAL HA H 51 5.100 5.183 -0.083 1 1 648 . 12 1 1 A 51 51 VAL C C 51 176.100 175.546 0.554 1 1 649 . 12 1 1 A 51 51 VAL CA C 51 60.700 60.132 0.568 1 1 650 . 12 1 1 A 51 51 VAL CB C 51 33.400 34.206 -0.806 1 1 653 . 12 1 1 A 51 51 VAL N N 51 122.100 124.827 -2.727 1 1 654 . 12 1 1 A 52 52 GLY H H 52 8.430 8.326 0.104 1 1 655 . 12 1 1 A 52 52 GLY HA2 H 52 3.760 4.263 -0.503 1 1 656 . 12 1 1 A 52 52 GLY HA3 H 52 4.230 4.288 -0.058 1 1 657 . 12 1 1 A 52 52 GLY C C 52 170.300 171.601 -1.301 1 1 658 . 12 1 1 A 52 52 GLY CA C 52 45.600 45.560 0.040 1 1 659 . 12 1 1 A 52 52 GLY N N 52 113.100 112.980 0.120 1 1 660 . 12 1 1 A 53 53 TYR H H 53 9.260 8.921 0.339 1 1 661 . 12 1 1 A 53 53 TYR HA H 53 5.990 5.773 0.217 1 1 668 . 12 1 1 A 53 53 TYR C C 53 175.700 175.204 0.496 1 1 669 . 12 1 1 A 53 53 TYR CA C 53 56.800 56.733 0.067 1 1 670 . 12 1 1 A 53 53 TYR CB C 53 42.800 43.232 -0.432 1 1 675 . 12 1 1 A 53 53 TYR N N 53 118.000 119.381 -1.381 1 1 676 . 12 1 1 A 54 54 ALA H H 54 9.210 8.534 0.676 1 1 677 . 12 1 1 A 54 54 ALA HA H 54 5.280 5.213 0.067 1 1 681 . 12 1 1 A 54 54 ALA C C 54 175.800 175.665 0.135 1 1 682 . 12 1 1 A 54 54 ALA CA C 54 50.900 51.188 -0.288 1 1 683 . 12 1 1 A 54 54 ALA CB C 54 23.800 23.528 0.272 1 1 684 . 12 1 1 A 54 54 ALA N N 54 122.000 122.726 -0.726 1 1 685 . 12 1 1 A 55 55 SER H H 55 8.620 8.763 -0.143 1 1 686 . 12 1 1 A 55 55 SER HA H 55 3.270 4.041 -0.771 1 1 689 . 12 1 1 A 55 55 SER C C 55 175.400 175.407 -0.007 1 1 690 . 12 1 1 A 55 55 SER CA C 55 59.100 57.985 1.115 1 1 691 . 12 1 1 A 55 55 SER CB C 55 63.200 63.228 -0.028 1 1 692 . 12 1 1 A 55 55 SER N N 55 117.400 115.240 2.160 1 1 693 . 12 1 1 A 56 56 LYS H H 56 7.630 8.441 -0.811 1 1 694 . 12 1 1 A 56 56 LYS HA H 56 3.750 4.038 -0.288 1 1 703 . 12 1 1 A 56 56 LYS C C 56 177.100 177.933 -0.833 1 1 704 . 12 1 1 A 56 56 LYS CA C 56 58.600 60.158 -1.558 1 1 705 . 12 1 1 A 56 56 LYS CB C 56 32.300 31.959 0.341 1 1 709 . 12 1 1 A 56 56 LYS N N 56 124.500 127.767 -3.267 1 1 710 . 12 1 1 A 57 57 SER H H 57 7.670 8.079 -0.409 1 1 711 . 12 1 1 A 57 57 SER HA H 57 3.930 4.256 -0.326 1 1 714 . 12 1 1 A 57 57 SER C C 57 174.100 175.072 -0.972 1 1 715 . 12 1 1 A 57 57 SER CA C 57 60.700 60.534 0.166 1 1 716 . 12 1 1 A 57 57 SER CB C 57 62.800 62.632 0.168 1 1 717 . 12 1 1 A 57 57 SER N N 57 112.000 114.711 -2.711 1 1 718 . 12 1 1 A 58 58 TYR H H 58 6.990 8.001 -1.011 1 1 719 . 12 1 1 A 58 58 TYR HA H 58 4.800 4.803 -0.003 1 1 726 . 12 1 1 A 58 58 TYR C C 58 173.300 174.882 -1.582 1 1 727 . 12 1 1 A 58 58 TYR CA C 58 57.400 57.746 -0.346 1 1 728 . 12 1 1 A 58 58 TYR CB C 58 40.500 38.843 1.657 1 1 733 . 12 1 1 A 58 58 TYR N N 58 116.100 118.488 -2.388 1 1 734 . 12 1 1 A 59 59 ILE H H 59 7.300 8.018 -0.718 1 1 735 . 12 1 1 A 59 59 ILE HA H 59 4.790 4.862 -0.072 1 1 745 . 12 1 1 A 59 59 ILE C C 59 174.500 174.245 0.255 1 1 746 . 12 1 1 A 59 59 ILE CA C 59 59.300 60.046 -0.746 1 1 747 . 12 1 1 A 59 59 ILE CB C 59 40.800 41.577 -0.777 1 1 751 . 12 1 1 A 59 59 ILE N N 59 119.000 120.296 -1.296 1 1 752 . 12 1 1 A 60 60 THR H H 60 8.980 8.880 0.100 1 1 753 . 12 1 1 A 60 60 THR HA H 60 4.580 4.996 -0.416 1 1 758 . 12 1 1 A 60 60 THR C C 60 173.800 173.398 0.402 1 1 759 . 12 1 1 A 60 60 THR CA C 60 60.800 61.703 -0.903 1 1 760 . 12 1 1 A 60 60 THR CB C 60 71.100 70.800 0.300 1 1 762 . 12 1 1 A 60 60 THR N N 60 123.600 123.636 -0.036 1 1 763 . 12 1 1 A 61 61 ILE H H 61 8.680 8.654 0.026 1 1 764 . 12 1 1 A 61 61 ILE HA H 61 4.180 4.150 0.030 1 1 774 . 12 1 1 A 61 61 ILE C C 61 176.400 176.078 0.322 1 1 775 . 12 1 1 A 61 61 ILE CA C 61 61.800 60.518 1.282 1 1 776 . 12 1 1 A 61 61 ILE CB C 61 37.900 37.613 0.287 1 1 780 . 12 1 1 A 61 61 ILE N N 61 127.200 127.968 -0.768 1 1 781 . 12 1 1 A 62 62 VAL H H 62 8.370 8.546 -0.176 1 1 782 . 12 1 1 A 62 62 VAL HA H 62 4.140 3.911 0.229 1 1 790 . 12 1 1 A 62 62 VAL C C 62 175.200 175.825 -0.625 1 1 791 . 12 1 1 A 62 62 VAL CA C 62 61.800 63.147 -1.347 1 1 792 . 12 1 1 A 62 62 VAL CB C 62 33.200 32.006 1.194 1 1 795 . 12 1 1 A 62 62 VAL N N 62 126.600 127.883 -1.283 1 1 796 . 12 1 1 A 63 63 ASN H H 63 8.590 8.659 -0.069 1 1 797 . 12 1 1 A 63 63 ASN HA H 63 4.730 4.650 0.080 1 1 802 . 12 1 1 A 63 63 ASN C C 63 175.200 175.299 -0.099 1 1 803 . 12 1 1 A 63 63 ASN CA C 63 53.200 53.851 -0.651 1 1 804 . 12 1 1 A 63 63 ASN CB C 63 39.100 38.452 0.648 1 1 806 . 12 1 1 A 63 63 ASN N N 63 123.500 125.997 -2.497 1 1 808 . 12 1 1 A 64 64 GLU H H 64 8.620 8.686 -0.066 1 1 809 . 12 1 1 A 64 64 GLU HA H 64 4.250 4.357 -0.107 1 1 814 . 12 1 1 A 64 64 GLU C C 64 177.000 177.233 -0.233 1 1 815 . 12 1 1 A 64 64 GLU CA C 64 57.100 57.698 -0.598 1 1 816 . 12 1 1 A 64 64 GLU CB C 64 30.400 29.500 0.900 1 1 818 . 12 1 1 A 64 64 GLU N N 64 122.700 124.111 -1.411 1 1 819 . 12 1 1 A 65 65 GLY H H 65 8.490 8.344 0.146 1 1 820 . 12 1 1 A 65 65 GLY HA2 H 65 3.980 4.010 -0.030 1 1 821 . 12 1 1 A 65 65 GLY HA3 H 65 3.980 4.019 -0.039 1 1 822 . 12 1 1 A 65 65 GLY C C 65 174.300 174.667 -0.367 1 1 823 . 12 1 1 A 65 65 GLY CA C 65 45.500 45.071 0.429 1 1 824 . 12 1 1 A 65 65 GLY N N 65 109.600 114.028 -4.428 1 1 825 . 12 1 1 A 66 66 SER H H 66 8.180 8.809 -0.629 1 1 826 . 12 1 1 A 66 66 SER HA H 66 4.450 4.147 0.303 1 1 829 . 12 1 1 A 66 66 SER C C 66 174.900 174.344 0.556 1 1 830 . 12 1 1 A 66 66 SER CA C 66 58.300 59.336 -1.036 1 1 831 . 12 1 1 A 66 66 SER CB C 66 63.700 62.296 1.404 1 1 832 . 12 1 1 A 66 66 SER N N 66 115.500 114.797 0.703 1 1 833 . 12 1 1 A 67 67 LEU H H 67 8.300 7.847 0.453 1 1 834 . 12 1 1 A 67 67 LEU HA H 67 4.300 3.952 0.348 1 1 844 . 12 1 1 A 67 67 LEU C C 67 177.500 176.330 1.170 1 1 845 . 12 1 1 A 67 67 LEU CA C 67 55.400 58.107 -2.707 1 1 846 . 12 1 1 A 67 67 LEU CB C 67 42.200 42.136 0.064 1 1 850 . 12 1 1 A 67 67 LEU N N 67 123.800 121.208 2.592 1 1 851 . 12 1 1 A 68 68 GLU H H 68 8.270 7.900 0.370 1 1 852 . 12 1 1 A 68 68 GLU HA H 68 4.160 3.891 0.269 1 1 857 . 12 1 1 A 68 68 GLU CA C 68 56.900 58.260 -1.360 1 1 858 . 12 1 1 A 68 68 GLU CB C 68 30.100 28.151 1.949 1 1 860 . 12 1 1 A 68 68 GLU N N 68 120.700 118.132 2.568 1 1 861 . 12 1 1 A 69 69 HIS C C 69 173.900 175.881 -1.981 1 1 862 . 12 1 1 A 70 70 HIS H H 70 8.140 9.301 -1.161 1 1 863 . 12 1 1 A 70 70 HIS CA C 70 57.200 58.517 -1.317 1 1 864 . 12 1 1 A 70 70 HIS CB C 70 30.200 28.654 1.546 1 1 14 . 13 1 1 A 2 2 GLN H H 2 9.330 8.925 0.405 1 1 15 . 13 1 1 A 2 2 GLN HA H 2 5.000 5.040 -0.040 1 1 22 . 13 1 1 A 2 2 GLN C C 2 174.500 175.212 -0.712 1 1 23 . 13 1 1 A 2 2 GLN CA C 2 55.500 54.153 1.347 1 1 24 . 13 1 1 A 2 2 GLN CB C 2 31.700 31.443 0.257 1 1 26 . 13 1 1 A 2 2 GLN N N 2 125.400 123.853 1.547 1 1 28 . 13 1 1 A 3 3 GLY H H 3 8.860 8.894 -0.034 1 1 29 . 13 1 1 A 3 3 GLY HA2 H 3 3.070 4.082 -1.012 1 1 30 . 13 1 1 A 3 3 GLY HA3 H 3 5.250 4.101 1.149 1 1 31 . 13 1 1 A 3 3 GLY C C 3 171.800 172.328 -0.528 1 1 32 . 13 1 1 A 3 3 GLY CA C 3 44.300 44.557 -0.257 1 1 33 . 13 1 1 A 3 3 GLY N N 3 108.200 112.928 -4.728 1 1 34 . 13 1 1 A 4 4 VAL H H 4 9.060 8.870 0.190 1 1 35 . 13 1 1 A 4 4 VAL HA H 4 5.080 4.883 0.197 1 1 43 . 13 1 1 A 4 4 VAL C C 4 174.500 174.723 -0.223 1 1 44 . 13 1 1 A 4 4 VAL CA C 4 59.800 60.492 -0.692 1 1 45 . 13 1 1 A 4 4 VAL CB C 4 35.300 34.586 0.714 1 1 48 . 13 1 1 A 4 4 VAL N N 4 120.200 124.800 -4.600 1 1 49 . 13 1 1 A 5 5 VAL H H 5 8.750 8.451 0.299 1 1 50 . 13 1 1 A 5 5 VAL HA H 5 4.190 4.528 -0.338 1 1 58 . 13 1 1 A 5 5 VAL C C 5 175.800 175.258 0.542 1 1 59 . 13 1 1 A 5 5 VAL CA C 5 62.800 61.857 0.943 1 1 60 . 13 1 1 A 5 5 VAL CB C 5 31.900 32.130 -0.230 1 1 63 . 13 1 1 A 5 5 VAL N N 5 128.600 128.244 0.356 1 1 64 . 13 1 1 A 6 6 LYS H H 6 8.830 8.871 -0.041 1 1 65 . 13 1 1 A 6 6 LYS HA H 6 5.250 5.011 0.239 1 1 74 . 13 1 1 A 6 6 LYS C C 6 174.800 174.880 -0.080 1 1 75 . 13 1 1 A 6 6 LYS CA C 6 54.300 55.243 -0.943 1 1 76 . 13 1 1 A 6 6 LYS CB C 6 33.200 34.126 -0.926 1 1 80 . 13 1 1 A 6 6 LYS N N 6 131.400 127.260 4.140 1 1 81 . 13 1 1 A 7 7 VAL H H 7 8.270 8.638 -0.368 1 1 82 . 13 1 1 A 7 7 VAL HA H 7 4.640 4.940 -0.300 1 1 90 . 13 1 1 A 7 7 VAL C C 7 173.400 176.021 -2.621 1 1 91 . 13 1 1 A 7 7 VAL CA C 7 59.700 59.733 -0.033 1 1 92 . 13 1 1 A 7 7 VAL CB C 7 35.400 35.348 0.052 1 1 95 . 13 1 1 A 7 7 VAL N N 7 119.000 123.150 -4.150 1 1 96 . 13 1 1 A 8 8 ASN H H 8 8.560 8.808 -0.248 1 1 97 . 13 1 1 A 8 8 ASN HA H 8 4.690 4.433 0.257 1 1 102 . 13 1 1 A 8 8 ASN C C 8 175.600 176.421 -0.821 1 1 103 . 13 1 1 A 8 8 ASN CA C 8 54.500 56.025 -1.525 1 1 104 . 13 1 1 A 8 8 ASN CB C 8 38.700 38.652 0.048 1 1 106 . 13 1 1 A 8 8 ASN N N 8 120.700 126.425 -5.725 1 1 108 . 13 1 1 A 9 9 SER H H 9 7.630 8.350 -0.720 1 1 109 . 13 1 1 A 9 9 SER HA H 9 4.450 4.813 -0.363 1 1 112 . 13 1 1 A 9 9 SER C C 9 172.800 173.074 -0.274 1 1 113 . 13 1 1 A 9 9 SER CA C 9 58.100 59.840 -1.740 1 1 114 . 13 1 1 A 9 9 SER CB C 9 63.500 65.350 -1.850 1 1 115 . 13 1 1 A 9 9 SER N N 9 112.800 112.127 0.673 1 1 116 . 13 1 1 A 10 10 ALA H H 10 8.330 7.708 0.622 1 1 117 . 13 1 1 A 10 10 ALA HA H 10 4.530 4.772 -0.242 1 1 121 . 13 1 1 A 10 10 ALA C C 10 175.300 174.868 0.432 1 1 122 . 13 1 1 A 10 10 ALA CA C 10 52.400 51.475 0.925 1 1 123 . 13 1 1 A 10 10 ALA CB C 10 20.900 22.816 -1.916 1 1 124 . 13 1 1 A 10 10 ALA N N 10 123.900 120.943 2.957 1 1 125 . 13 1 1 A 11 11 LEU H H 11 8.930 8.745 0.185 1 1 126 . 13 1 1 A 11 11 LEU HA H 11 4.530 4.992 -0.462 1 1 136 . 13 1 1 A 11 11 LEU C C 11 175.300 176.258 -0.958 1 1 137 . 13 1 1 A 11 11 LEU CA C 11 52.600 53.323 -0.723 1 1 138 . 13 1 1 A 11 11 LEU CB C 11 45.900 45.767 0.133 1 1 142 . 13 1 1 A 11 11 LEU N N 11 123.600 122.943 0.657 1 1 143 . 13 1 1 A 12 12 ASN H H 12 8.800 8.895 -0.095 1 1 144 . 13 1 1 A 12 12 ASN HA H 12 5.030 5.031 -0.001 1 1 149 . 13 1 1 A 12 12 ASN C C 12 174.000 174.588 -0.588 1 1 150 . 13 1 1 A 12 12 ASN CA C 12 53.800 52.847 0.953 1 1 151 . 13 1 1 A 12 12 ASN CB C 12 39.500 38.973 0.527 1 1 153 . 13 1 1 A 12 12 ASN N N 12 123.600 123.855 -0.255 1 1 155 . 13 1 1 A 13 13 MET H H 13 8.630 8.820 -0.190 1 1 156 . 13 1 1 A 13 13 MET HA H 13 4.970 5.201 -0.231 1 1 164 . 13 1 1 A 13 13 MET C C 13 176.000 175.353 0.647 1 1 165 . 13 1 1 A 13 13 MET CA C 13 54.900 54.150 0.750 1 1 166 . 13 1 1 A 13 13 MET CB C 13 35.200 35.087 0.113 1 1 169 . 13 1 1 A 13 13 MET N N 13 122.600 123.484 -0.884 1 1 170 . 13 1 1 A 14 14 ARG H H 14 9.730 8.501 1.229 1 1 171 . 13 1 1 A 14 14 ARG HA H 14 5.760 4.909 0.851 1 1 178 . 13 1 1 A 14 14 ARG C C 14 177.700 176.722 0.978 1 1 179 . 13 1 1 A 14 14 ARG CA C 14 54.900 54.107 0.793 1 1 180 . 13 1 1 A 14 14 ARG CB C 14 34.600 33.204 1.396 1 1 183 . 13 1 1 A 14 14 ARG N N 14 125.200 124.964 0.236 1 1 184 . 13 1 1 A 15 15 SER H H 15 9.010 8.885 0.125 1 1 185 . 13 1 1 A 15 15 SER HA H 15 4.580 4.415 0.165 1 1 188 . 13 1 1 A 15 15 SER C C 15 173.100 174.164 -1.064 1 1 189 . 13 1 1 A 15 15 SER CA C 15 59.100 59.684 -0.584 1 1 190 . 13 1 1 A 15 15 SER CB C 15 63.600 63.673 -0.073 1 1 191 . 13 1 1 A 15 15 SER N N 15 113.600 115.530 -1.930 1 1 192 . 13 1 1 A 16 16 GLY H H 16 6.940 7.519 -0.579 1 1 193 . 13 1 1 A 16 16 GLY HA2 H 16 1.050 3.304 -2.254 1 1 194 . 13 1 1 A 16 16 GLY HA3 H 16 3.010 3.445 -0.435 1 1 195 . 13 1 1 A 16 16 GLY CA C 16 43.700 44.726 -1.026 1 1 196 . 13 1 1 A 16 16 GLY N N 16 109.500 108.402 1.098 1 1 197 . 13 1 1 A 17 17 PRO HA H 17 3.070 2.939 0.131 1 1 204 . 13 1 1 A 17 17 PRO C C 17 172.400 175.616 -3.216 1 1 205 . 13 1 1 A 17 17 PRO CA C 17 60.200 62.506 -2.306 1 1 206 . 13 1 1 A 17 17 PRO CB C 17 28.300 31.455 -3.155 1 1 209 . 13 1 1 A 18 18 GLY H H 18 6.650 8.318 -1.668 1 1 210 . 13 1 1 A 18 18 GLY HA2 H 18 3.630 3.896 -0.266 1 1 211 . 13 1 1 A 18 18 GLY HA3 H 18 4.010 3.988 0.022 1 1 212 . 13 1 1 A 18 18 GLY C C 18 173.200 174.865 -1.665 1 1 213 . 13 1 1 A 18 18 GLY CA C 18 46.200 44.775 1.425 1 1 214 . 13 1 1 A 18 18 GLY N N 18 110.400 109.583 0.817 1 1 215 . 13 1 1 A 19 19 SER H H 19 8.960 9.118 -0.158 1 1 216 . 13 1 1 A 19 19 SER HA H 19 4.200 4.413 -0.213 1 1 219 . 13 1 1 A 19 19 SER C C 19 173.600 174.584 -0.984 1 1 220 . 13 1 1 A 19 19 SER CA C 19 60.600 60.983 -0.383 1 1 221 . 13 1 1 A 19 19 SER CB C 19 63.200 63.111 0.089 1 1 222 . 13 1 1 A 19 19 SER N N 19 115.800 119.039 -3.239 1 1 223 . 13 1 1 A 20 20 ASN H H 20 8.720 8.327 0.393 1 1 224 . 13 1 1 A 20 20 ASN HA H 20 4.560 4.611 -0.051 1 1 229 . 13 1 1 A 20 20 ASN C C 20 175.300 175.176 0.124 1 1 230 . 13 1 1 A 20 20 ASN CA C 20 53.300 52.874 0.426 1 1 231 . 13 1 1 A 20 20 ASN CB C 20 37.300 37.466 -0.166 1 1 233 . 13 1 1 A 20 20 ASN N N 20 115.000 118.501 -3.501 1 1 235 . 13 1 1 A 21 21 TYR H H 21 7.040 7.709 -0.669 1 1 236 . 13 1 1 A 21 21 TYR HA H 21 4.290 4.611 -0.321 1 1 243 . 13 1 1 A 21 21 TYR C C 21 175.700 176.235 -0.535 1 1 244 . 13 1 1 A 21 21 TYR CA C 21 58.800 58.006 0.794 1 1 245 . 13 1 1 A 21 21 TYR CB C 21 39.400 38.738 0.662 1 1 250 . 13 1 1 A 21 21 TYR N N 21 119.200 118.066 1.134 1 1 251 . 13 1 1 A 22 22 GLY H H 22 8.450 7.936 0.514 1 1 252 . 13 1 1 A 22 22 GLY HA2 H 22 3.820 4.099 -0.279 1 1 253 . 13 1 1 A 22 22 GLY HA3 H 22 4.090 4.107 -0.017 1 1 254 . 13 1 1 A 22 22 GLY C C 22 172.700 173.127 -0.427 1 1 255 . 13 1 1 A 22 22 GLY CA C 22 45.300 45.074 0.226 1 1 256 . 13 1 1 A 22 22 GLY N N 22 107.800 108.490 -0.690 1 1 257 . 13 1 1 A 23 23 VAL H H 23 8.470 8.330 0.140 1 1 258 . 13 1 1 A 23 23 VAL HA H 23 4.320 4.828 -0.508 1 1 266 . 13 1 1 A 23 23 VAL C C 23 178.000 176.457 1.543 1 1 267 . 13 1 1 A 23 23 VAL CA C 23 63.700 60.812 2.888 1 1 268 . 13 1 1 A 23 23 VAL CB C 23 32.700 33.384 -0.684 1 1 271 . 13 1 1 A 23 23 VAL N N 23 120.200 119.503 0.697 1 1 272 . 13 1 1 A 24 24 ILE H H 24 9.120 8.682 0.438 1 1 273 . 13 1 1 A 24 24 ILE HA H 24 4.740 4.639 0.101 1 1 283 . 13 1 1 A 24 24 ILE C C 24 175.300 175.654 -0.354 1 1 284 . 13 1 1 A 24 24 ILE CA C 24 60.500 60.846 -0.346 1 1 285 . 13 1 1 A 24 24 ILE CB C 24 39.900 38.924 0.976 1 1 289 . 13 1 1 A 24 24 ILE N N 24 120.900 124.593 -3.693 1 1 290 . 13 1 1 A 25 25 GLY H H 25 7.770 7.526 0.244 1 1 291 . 13 1 1 A 25 25 GLY HA2 H 25 4.130 4.137 -0.007 1 1 292 . 13 1 1 A 25 25 GLY HA3 H 25 4.310 4.146 0.164 1 1 293 . 13 1 1 A 25 25 GLY C C 25 171.100 171.294 -0.194 1 1 294 . 13 1 1 A 25 25 GLY CA C 25 45.500 45.561 -0.061 1 1 295 . 13 1 1 A 25 25 GLY N N 25 109.200 109.192 0.008 1 1 296 . 13 1 1 A 26 26 THR H H 26 8.440 8.534 -0.094 1 1 297 . 13 1 1 A 26 26 THR HA H 26 5.080 5.032 0.048 1 1 302 . 13 1 1 A 26 26 THR C C 26 173.000 173.625 -0.625 1 1 303 . 13 1 1 A 26 26 THR CA C 26 61.400 61.363 0.037 1 1 304 . 13 1 1 A 26 26 THR CB C 26 72.200 71.180 1.020 1 1 306 . 13 1 1 A 26 26 THR N N 26 113.900 115.360 -1.460 1 1 307 . 13 1 1 A 27 27 LEU H H 27 9.180 9.402 -0.222 1 1 308 . 13 1 1 A 27 27 LEU HA H 27 4.480 4.828 -0.348 1 1 318 . 13 1 1 A 27 27 LEU C C 27 174.900 175.783 -0.883 1 1 319 . 13 1 1 A 27 27 LEU CA C 27 53.400 52.949 0.451 1 1 320 . 13 1 1 A 27 27 LEU CB C 27 45.000 44.737 0.263 1 1 324 . 13 1 1 A 27 27 LEU N N 27 125.600 125.916 -0.316 1 1 325 . 13 1 1 A 28 28 ARG H H 28 9.280 8.662 0.618 1 1 326 . 13 1 1 A 28 28 ARG HA H 28 4.510 4.660 -0.150 1 1 333 . 13 1 1 A 28 28 ARG C C 28 175.300 175.798 -0.498 1 1 334 . 13 1 1 A 28 28 ARG CA C 28 53.300 54.148 -0.848 1 1 335 . 13 1 1 A 28 28 ARG CB C 28 33.100 32.390 0.710 1 1 338 . 13 1 1 A 28 28 ARG N N 28 120.600 121.735 -1.135 1 1 339 . 13 1 1 A 29 29 ASN H H 29 8.360 8.681 -0.321 1 1 340 . 13 1 1 A 29 29 ASN HA H 29 4.070 4.584 -0.514 1 1 345 . 13 1 1 A 29 29 ASN C C 29 176.500 175.554 0.946 1 1 346 . 13 1 1 A 29 29 ASN CA C 29 56.100 53.619 2.481 1 1 347 . 13 1 1 A 29 29 ASN CB C 29 39.300 38.506 0.794 1 1 349 . 13 1 1 A 29 29 ASN N N 29 117.200 119.777 -2.577 1 1 351 . 13 1 1 A 30 30 ASN H H 30 9.290 9.283 0.007 1 1 352 . 13 1 1 A 30 30 ASN HA H 30 4.300 4.318 -0.018 1 1 357 . 13 1 1 A 30 30 ASN C C 30 175.100 174.834 0.266 1 1 358 . 13 1 1 A 30 30 ASN CA C 30 55.500 54.024 1.476 1 1 359 . 13 1 1 A 30 30 ASN CB C 30 37.300 37.664 -0.364 1 1 361 . 13 1 1 A 30 30 ASN N N 30 118.900 118.857 0.043 1 1 363 . 13 1 1 A 31 31 ASP H H 31 8.210 7.900 0.310 1 1 364 . 13 1 1 A 31 31 ASP HA H 31 4.700 4.747 -0.047 1 1 367 . 13 1 1 A 31 31 ASP C C 31 175.300 175.556 -0.256 1 1 368 . 13 1 1 A 31 31 ASP CA C 31 56.500 53.629 2.871 1 1 369 . 13 1 1 A 31 31 ASP CB C 31 41.200 41.161 0.039 1 1 370 . 13 1 1 A 31 31 ASP N N 31 122.300 119.564 2.736 1 1 371 . 13 1 1 A 32 32 LYS H H 32 8.510 8.563 -0.053 1 1 372 . 13 1 1 A 32 32 LYS HA H 32 5.140 4.432 0.708 1 1 381 . 13 1 1 A 32 32 LYS C C 32 176.600 176.629 -0.029 1 1 382 . 13 1 1 A 32 32 LYS CA C 32 55.400 56.627 -1.227 1 1 383 . 13 1 1 A 32 32 LYS CB C 32 33.500 32.710 0.790 1 1 387 . 13 1 1 A 32 32 LYS N N 32 121.500 127.163 -5.663 1 1 388 . 13 1 1 A 33 33 VAL H H 33 8.650 8.626 0.024 1 1 389 . 13 1 1 A 33 33 VAL HA H 33 5.020 4.961 0.059 1 1 397 . 13 1 1 A 33 33 VAL C C 33 174.200 174.193 0.007 1 1 398 . 13 1 1 A 33 33 VAL CA C 33 58.200 58.796 -0.596 1 1 399 . 13 1 1 A 33 33 VAL CB C 33 34.900 35.889 -0.989 1 1 402 . 13 1 1 A 33 33 VAL N N 33 113.500 117.595 -4.095 1 1 403 . 13 1 1 A 34 34 GLU H H 34 8.070 8.790 -0.720 1 1 404 . 13 1 1 A 34 34 GLU HA H 34 4.780 4.873 -0.093 1 1 409 . 13 1 1 A 34 34 GLU C C 34 176.000 175.644 0.356 1 1 410 . 13 1 1 A 34 34 GLU CA C 34 55.000 55.092 -0.092 1 1 411 . 13 1 1 A 34 34 GLU CB C 34 31.400 31.762 -0.362 1 1 413 . 13 1 1 A 34 34 GLU N N 34 122.300 120.792 1.508 1 1 414 . 13 1 1 A 35 35 ILE H H 35 8.610 8.930 -0.320 1 1 415 . 13 1 1 A 35 35 ILE HA H 35 4.100 4.456 -0.356 1 1 425 . 13 1 1 A 35 35 ILE C C 35 175.600 175.451 0.149 1 1 426 . 13 1 1 A 35 35 ILE CA C 35 61.200 61.643 -0.443 1 1 427 . 13 1 1 A 35 35 ILE CB C 35 38.800 37.916 0.884 1 1 431 . 13 1 1 A 35 35 ILE N N 35 125.500 125.107 0.393 1 1 432 . 13 1 1 A 36 36 ILE H H 36 9.450 9.400 0.050 1 1 433 . 13 1 1 A 36 36 ILE HA H 36 3.990 4.144 -0.154 1 1 443 . 13 1 1 A 36 36 ILE C C 36 176.500 175.981 0.519 1 1 444 . 13 1 1 A 36 36 ILE CA C 36 63.100 62.928 0.172 1 1 445 . 13 1 1 A 36 36 ILE CB C 36 38.800 38.436 0.364 1 1 449 . 13 1 1 A 36 36 ILE N N 36 129.500 129.020 0.480 1 1 450 . 13 1 1 A 37 37 LYS H H 37 7.630 7.659 -0.029 1 1 451 . 13 1 1 A 37 37 LYS HA H 37 4.670 4.849 -0.179 1 1 460 . 13 1 1 A 37 37 LYS C C 37 173.100 174.222 -1.122 1 1 461 . 13 1 1 A 37 37 LYS CA C 37 55.700 54.970 0.730 1 1 462 . 13 1 1 A 37 37 LYS CB C 37 34.700 37.111 -2.411 1 1 466 . 13 1 1 A 37 37 LYS N N 37 113.300 119.288 -5.988 1 1 467 . 13 1 1 A 38 38 GLU H H 38 8.800 9.259 -0.459 1 1 468 . 13 1 1 A 38 38 GLU HA H 38 5.360 5.397 -0.037 1 1 473 . 13 1 1 A 38 38 GLU C C 38 175.300 175.235 0.065 1 1 474 . 13 1 1 A 38 38 GLU CA C 38 55.400 54.852 0.548 1 1 475 . 13 1 1 A 38 38 GLU CB C 38 32.500 32.631 -0.131 1 1 477 . 13 1 1 A 38 38 GLU N N 38 122.000 123.955 -1.955 1 1 478 . 13 1 1 A 39 39 VAL H H 39 9.550 9.026 0.524 1 1 479 . 13 1 1 A 39 39 VAL HA H 39 4.360 4.533 -0.173 1 1 487 . 13 1 1 A 39 39 VAL C C 39 174.500 175.599 -1.099 1 1 488 . 13 1 1 A 39 39 VAL CA C 39 61.600 61.139 0.461 1 1 489 . 13 1 1 A 39 39 VAL CB C 39 34.400 34.458 -0.058 1 1 492 . 13 1 1 A 39 39 VAL N N 39 126.000 126.659 -0.659 1 1 493 . 13 1 1 A 40 40 ASP H H 40 8.960 9.432 -0.472 1 1 494 . 13 1 1 A 40 40 ASP HA H 40 4.340 4.385 -0.045 1 1 497 . 13 1 1 A 40 40 ASP C C 40 175.800 176.241 -0.441 1 1 498 . 13 1 1 A 40 40 ASP CA C 40 55.900 55.596 0.304 1 1 499 . 13 1 1 A 40 40 ASP CB C 40 40.700 39.550 1.150 1 1 500 . 13 1 1 A 40 40 ASP N N 40 125.700 128.837 -3.137 1 1 501 . 13 1 1 A 41 41 GLY H H 41 8.870 8.251 0.619 1 1 502 . 13 1 1 A 41 41 GLY HA2 H 41 3.510 3.699 -0.189 1 1 503 . 13 1 1 A 41 41 GLY HA3 H 41 4.190 3.775 0.415 1 1 504 . 13 1 1 A 41 41 GLY C C 41 173.900 174.275 -0.375 1 1 505 . 13 1 1 A 41 41 GLY CA C 41 45.700 45.280 0.420 1 1 506 . 13 1 1 A 41 41 GLY N N 41 105.500 104.987 0.513 1 1 507 . 13 1 1 A 42 42 TRP H H 42 8.580 8.379 0.201 1 1 508 . 13 1 1 A 42 42 TRP HA H 42 4.700 4.606 0.094 1 1 517 . 13 1 1 A 42 42 TRP C C 42 175.300 175.729 -0.429 1 1 518 . 13 1 1 A 42 42 TRP CA C 42 56.300 57.594 -1.294 1 1 519 . 13 1 1 A 42 42 TRP CB C 42 31.300 30.515 0.785 1 1 525 . 13 1 1 A 42 42 TRP N N 42 122.900 121.047 1.853 1 1 527 . 13 1 1 A 43 43 TYR H H 43 9.400 8.806 0.594 1 1 528 . 13 1 1 A 43 43 TYR HA H 43 5.630 5.180 0.450 1 1 535 . 13 1 1 A 43 43 TYR C C 43 175.800 175.127 0.673 1 1 536 . 13 1 1 A 43 43 TYR CA C 43 55.900 56.975 -1.075 1 1 537 . 13 1 1 A 43 43 TYR CB C 43 40.200 40.681 -0.481 1 1 542 . 13 1 1 A 43 43 TYR N N 43 119.000 122.187 -3.187 1 1 543 . 13 1 1 A 44 44 GLU H H 44 9.110 9.540 -0.430 1 1 544 . 13 1 1 A 44 44 GLU HA H 44 4.040 4.487 -0.447 1 1 549 . 13 1 1 A 44 44 GLU C C 44 175.500 176.389 -0.889 1 1 550 . 13 1 1 A 44 44 GLU CA C 44 55.500 55.893 -0.393 1 1 551 . 13 1 1 A 44 44 GLU CB C 44 31.200 31.049 0.151 1 1 553 . 13 1 1 A 44 44 GLU N N 44 125.600 124.690 0.910 1 1 554 . 13 1 1 A 45 45 ILE H H 45 9.300 8.521 0.779 1 1 555 . 13 1 1 A 45 45 ILE HA H 45 5.550 5.460 0.090 1 1 565 . 13 1 1 A 45 45 ILE C C 45 173.700 173.403 0.297 1 1 566 . 13 1 1 A 45 45 ILE CA C 45 58.300 58.628 -0.328 1 1 567 . 13 1 1 A 45 45 ILE CB C 45 43.200 42.187 1.013 1 1 571 . 13 1 1 A 45 45 ILE N N 45 122.700 121.144 1.556 1 1 572 . 13 1 1 A 46 46 ARG H H 46 8.730 8.429 0.301 1 1 573 . 13 1 1 A 46 46 ARG HA H 46 5.310 5.439 -0.129 1 1 580 . 13 1 1 A 46 46 ARG C C 46 176.400 174.742 1.658 1 1 581 . 13 1 1 A 46 46 ARG CA C 46 54.400 54.426 -0.026 1 1 582 . 13 1 1 A 46 46 ARG CB C 46 33.600 33.260 0.340 1 1 585 . 13 1 1 A 46 46 ARG N N 46 118.900 122.686 -3.786 1 1 586 . 13 1 1 A 47 47 PHE H H 47 9.080 9.665 -0.585 1 1 587 . 13 1 1 A 47 47 PHE HA H 47 4.850 4.862 -0.012 1 1 595 . 13 1 1 A 47 47 PHE C C 47 174.500 174.815 -0.315 1 1 596 . 13 1 1 A 47 47 PHE CA C 47 57.300 57.725 -0.425 1 1 597 . 13 1 1 A 47 47 PHE CB C 47 42.500 43.012 -0.512 1 1 603 . 13 1 1 A 47 47 PHE N N 47 126.500 127.165 -0.665 1 1 604 . 13 1 1 A 48 48 ASN H H 48 9.140 8.692 0.448 1 1 605 . 13 1 1 A 48 48 ASN HA H 48 4.080 4.153 -0.073 1 1 610 . 13 1 1 A 48 48 ASN C C 48 175.100 175.531 -0.431 1 1 611 . 13 1 1 A 48 48 ASN CA C 48 53.500 54.142 -0.642 1 1 612 . 13 1 1 A 48 48 ASN CB C 48 37.100 37.246 -0.146 1 1 614 . 13 1 1 A 48 48 ASN N N 48 128.500 125.099 3.401 1 1 616 . 13 1 1 A 49 49 GLY H H 49 8.600 8.577 0.023 1 1 617 . 13 1 1 A 49 49 GLY HA2 H 49 3.510 3.823 -0.313 1 1 618 . 13 1 1 A 49 49 GLY HA3 H 49 4.110 3.824 0.286 1 1 619 . 13 1 1 A 49 49 GLY C C 49 173.600 173.707 -0.107 1 1 620 . 13 1 1 A 49 49 GLY CA C 49 45.600 45.336 0.264 1 1 621 . 13 1 1 A 49 49 GLY N N 49 103.100 103.921 -0.821 1 1 622 . 13 1 1 A 50 50 LYS H H 50 7.850 8.219 -0.369 1 1 623 . 13 1 1 A 50 50 LYS HA H 50 4.620 4.758 -0.138 1 1 632 . 13 1 1 A 50 50 LYS C C 50 174.600 175.426 -0.826 1 1 633 . 13 1 1 A 50 50 LYS CA C 50 54.900 54.296 0.604 1 1 634 . 13 1 1 A 50 50 LYS CB C 50 35.100 34.848 0.252 1 1 638 . 13 1 1 A 50 50 LYS N N 50 121.700 120.443 1.257 1 1 639 . 13 1 1 A 51 51 VAL H H 51 8.120 8.727 -0.607 1 1 640 . 13 1 1 A 51 51 VAL HA H 51 5.100 5.069 0.031 1 1 648 . 13 1 1 A 51 51 VAL C C 51 176.100 175.573 0.527 1 1 649 . 13 1 1 A 51 51 VAL CA C 51 60.700 60.153 0.547 1 1 650 . 13 1 1 A 51 51 VAL CB C 51 33.400 34.398 -0.998 1 1 653 . 13 1 1 A 51 51 VAL N N 51 122.100 122.610 -0.510 1 1 654 . 13 1 1 A 52 52 GLY H H 52 8.430 8.139 0.291 1 1 655 . 13 1 1 A 52 52 GLY HA2 H 52 3.760 4.296 -0.536 1 1 656 . 13 1 1 A 52 52 GLY HA3 H 52 4.230 4.303 -0.073 1 1 657 . 13 1 1 A 52 52 GLY C C 52 170.300 171.631 -1.331 1 1 658 . 13 1 1 A 52 52 GLY CA C 52 45.600 45.688 -0.088 1 1 659 . 13 1 1 A 52 52 GLY N N 52 113.100 112.748 0.352 1 1 660 . 13 1 1 A 53 53 TYR H H 53 9.260 9.058 0.202 1 1 661 . 13 1 1 A 53 53 TYR HA H 53 5.990 5.769 0.221 1 1 668 . 13 1 1 A 53 53 TYR C C 53 175.700 174.988 0.712 1 1 669 . 13 1 1 A 53 53 TYR CA C 53 56.800 56.823 -0.023 1 1 670 . 13 1 1 A 53 53 TYR CB C 53 42.800 43.569 -0.769 1 1 675 . 13 1 1 A 53 53 TYR N N 53 118.000 119.054 -1.054 1 1 676 . 13 1 1 A 54 54 ALA H H 54 9.210 8.497 0.713 1 1 677 . 13 1 1 A 54 54 ALA HA H 54 5.280 5.208 0.072 1 1 681 . 13 1 1 A 54 54 ALA C C 54 175.800 176.145 -0.345 1 1 682 . 13 1 1 A 54 54 ALA CA C 54 50.900 51.211 -0.311 1 1 683 . 13 1 1 A 54 54 ALA CB C 54 23.800 23.435 0.365 1 1 684 . 13 1 1 A 54 54 ALA N N 54 122.000 122.438 -0.438 1 1 685 . 13 1 1 A 55 55 SER H H 55 8.620 8.622 -0.002 1 1 686 . 13 1 1 A 55 55 SER HA H 55 3.270 3.733 -0.463 1 1 689 . 13 1 1 A 55 55 SER C C 55 175.400 175.800 -0.400 1 1 690 . 13 1 1 A 55 55 SER CA C 55 59.100 58.677 0.423 1 1 691 . 13 1 1 A 55 55 SER CB C 55 63.200 63.439 -0.239 1 1 692 . 13 1 1 A 55 55 SER N N 55 117.400 115.440 1.960 1 1 693 . 13 1 1 A 56 56 LYS H H 56 7.630 8.484 -0.854 1 1 694 . 13 1 1 A 56 56 LYS HA H 56 3.750 4.269 -0.519 1 1 703 . 13 1 1 A 56 56 LYS C C 56 177.100 178.532 -1.432 1 1 704 . 13 1 1 A 56 56 LYS CA C 56 58.600 58.780 -0.180 1 1 705 . 13 1 1 A 56 56 LYS CB C 56 32.300 31.985 0.315 1 1 709 . 13 1 1 A 56 56 LYS N N 56 124.500 123.490 1.010 1 1 710 . 13 1 1 A 57 57 SER H H 57 7.670 7.946 -0.276 1 1 711 . 13 1 1 A 57 57 SER HA H 57 3.930 3.996 -0.066 1 1 714 . 13 1 1 A 57 57 SER C C 57 174.100 175.071 -0.971 1 1 715 . 13 1 1 A 57 57 SER CA C 57 60.700 62.322 -1.622 1 1 716 . 13 1 1 A 57 57 SER CB C 57 62.800 63.078 -0.278 1 1 717 . 13 1 1 A 57 57 SER N N 57 112.000 118.066 -6.066 1 1 718 . 13 1 1 A 58 58 TYR H H 58 6.990 7.646 -0.656 1 1 719 . 13 1 1 A 58 58 TYR HA H 58 4.800 4.582 0.218 1 1 726 . 13 1 1 A 58 58 TYR C C 58 173.300 174.866 -1.566 1 1 727 . 13 1 1 A 58 58 TYR CA C 58 57.400 58.719 -1.319 1 1 728 . 13 1 1 A 58 58 TYR CB C 58 40.500 39.222 1.278 1 1 733 . 13 1 1 A 58 58 TYR N N 58 116.100 117.098 -0.998 1 1 734 . 13 1 1 A 59 59 ILE H H 59 7.300 7.714 -0.414 1 1 735 . 13 1 1 A 59 59 ILE HA H 59 4.790 4.774 0.016 1 1 745 . 13 1 1 A 59 59 ILE C C 59 174.500 174.563 -0.063 1 1 746 . 13 1 1 A 59 59 ILE CA C 59 59.300 60.063 -0.763 1 1 747 . 13 1 1 A 59 59 ILE CB C 59 40.800 39.110 1.690 1 1 751 . 13 1 1 A 59 59 ILE N N 59 119.000 120.501 -1.501 1 1 752 . 13 1 1 A 60 60 THR H H 60 8.980 8.796 0.184 1 1 753 . 13 1 1 A 60 60 THR HA H 60 4.580 4.893 -0.313 1 1 758 . 13 1 1 A 60 60 THR C C 60 173.800 173.322 0.478 1 1 759 . 13 1 1 A 60 60 THR CA C 60 60.800 61.615 -0.815 1 1 760 . 13 1 1 A 60 60 THR CB C 60 71.100 70.862 0.238 1 1 762 . 13 1 1 A 60 60 THR N N 60 123.600 123.761 -0.161 1 1 763 . 13 1 1 A 61 61 ILE H H 61 8.680 8.612 0.068 1 1 764 . 13 1 1 A 61 61 ILE HA H 61 4.180 4.190 -0.010 1 1 774 . 13 1 1 A 61 61 ILE C C 61 176.400 175.717 0.683 1 1 775 . 13 1 1 A 61 61 ILE CA C 61 61.800 61.464 0.336 1 1 776 . 13 1 1 A 61 61 ILE CB C 61 37.900 37.526 0.374 1 1 780 . 13 1 1 A 61 61 ILE N N 61 127.200 128.182 -0.982 1 1 781 . 13 1 1 A 62 62 VAL H H 62 8.370 8.495 -0.125 1 1 782 . 13 1 1 A 62 62 VAL HA H 62 4.140 4.486 -0.346 1 1 790 . 13 1 1 A 62 62 VAL C C 62 175.200 176.393 -1.193 1 1 791 . 13 1 1 A 62 62 VAL CA C 62 61.800 61.375 0.425 1 1 792 . 13 1 1 A 62 62 VAL CB C 62 33.200 32.765 0.435 1 1 795 . 13 1 1 A 62 62 VAL N N 62 126.600 128.360 -1.760 1 1 796 . 13 1 1 A 63 63 ASN H H 63 8.590 9.129 -0.539 1 1 797 . 13 1 1 A 63 63 ASN HA H 63 4.730 4.379 0.351 1 1 802 . 13 1 1 A 63 63 ASN C C 63 175.200 175.529 -0.329 1 1 803 . 13 1 1 A 63 63 ASN CA C 63 53.200 53.810 -0.610 1 1 804 . 13 1 1 A 63 63 ASN CB C 63 39.100 36.822 2.278 1 1 806 . 13 1 1 A 63 63 ASN N N 63 123.500 124.994 -1.494 1 1 808 . 13 1 1 A 64 64 GLU H H 64 8.620 8.573 0.047 1 1 809 . 13 1 1 A 64 64 GLU HA H 64 4.250 4.370 -0.120 1 1 814 . 13 1 1 A 64 64 GLU C C 64 177.000 176.997 0.003 1 1 815 . 13 1 1 A 64 64 GLU CA C 64 57.100 56.178 0.922 1 1 816 . 13 1 1 A 64 64 GLU CB C 64 30.400 30.047 0.353 1 1 818 . 13 1 1 A 64 64 GLU N N 64 122.700 122.086 0.614 1 1 819 . 13 1 1 A 65 65 GLY H H 65 8.490 7.777 0.713 1 1 820 . 13 1 1 A 65 65 GLY HA2 H 65 3.980 4.063 -0.083 1 1 821 . 13 1 1 A 65 65 GLY HA3 H 65 3.980 4.066 -0.086 1 1 822 . 13 1 1 A 65 65 GLY C C 65 174.300 173.530 0.770 1 1 823 . 13 1 1 A 65 65 GLY CA C 65 45.500 44.629 0.871 1 1 824 . 13 1 1 A 65 65 GLY N N 65 109.600 108.288 1.312 1 1 825 . 13 1 1 A 66 66 SER H H 66 8.180 8.459 -0.279 1 1 826 . 13 1 1 A 66 66 SER HA H 66 4.450 4.562 -0.112 1 1 829 . 13 1 1 A 66 66 SER C C 66 174.900 174.265 0.635 1 1 830 . 13 1 1 A 66 66 SER CA C 66 58.300 59.124 -0.824 1 1 831 . 13 1 1 A 66 66 SER CB C 66 63.700 63.617 0.083 1 1 832 . 13 1 1 A 66 66 SER N N 66 115.500 117.117 -1.617 1 1 833 . 13 1 1 A 67 67 LEU H H 67 8.300 8.624 -0.324 1 1 834 . 13 1 1 A 67 67 LEU HA H 67 4.300 4.359 -0.059 1 1 844 . 13 1 1 A 67 67 LEU C C 67 177.500 176.292 1.208 1 1 845 . 13 1 1 A 67 67 LEU CA C 67 55.400 54.424 0.976 1 1 846 . 13 1 1 A 67 67 LEU CB C 67 42.200 41.505 0.695 1 1 850 . 13 1 1 A 67 67 LEU N N 67 123.800 126.642 -2.842 1 1 851 . 13 1 1 A 68 68 GLU H H 68 8.270 7.714 0.556 1 1 852 . 13 1 1 A 68 68 GLU HA H 68 4.160 4.051 0.109 1 1 857 . 13 1 1 A 68 68 GLU CA C 68 56.900 56.676 0.224 1 1 858 . 13 1 1 A 68 68 GLU CB C 68 30.100 29.855 0.245 1 1 860 . 13 1 1 A 68 68 GLU N N 68 120.700 121.892 -1.192 1 1 861 . 13 1 1 A 69 69 HIS C C 69 173.900 175.253 -1.353 1 1 862 . 13 1 1 A 70 70 HIS H H 70 8.140 8.773 -0.633 1 1 863 . 13 1 1 A 70 70 HIS CA C 70 57.200 55.835 1.365 1 1 864 . 13 1 1 A 70 70 HIS CB C 70 30.200 30.057 0.143 1 1 14 . 14 1 1 A 2 2 GLN H H 2 9.330 8.961 0.369 1 1 15 . 14 1 1 A 2 2 GLN HA H 2 5.000 4.995 0.005 1 1 22 . 14 1 1 A 2 2 GLN C C 2 174.500 175.269 -0.769 1 1 23 . 14 1 1 A 2 2 GLN CA C 2 55.500 54.192 1.308 1 1 24 . 14 1 1 A 2 2 GLN CB C 2 31.700 31.650 0.050 1 1 26 . 14 1 1 A 2 2 GLN N N 2 125.400 125.260 0.140 1 1 28 . 14 1 1 A 3 3 GLY H H 3 8.860 8.832 0.028 1 1 29 . 14 1 1 A 3 3 GLY HA2 H 3 3.070 4.062 -0.992 1 1 30 . 14 1 1 A 3 3 GLY HA3 H 3 5.250 4.067 1.183 1 1 31 . 14 1 1 A 3 3 GLY C C 3 171.800 172.500 -0.700 1 1 32 . 14 1 1 A 3 3 GLY CA C 3 44.300 44.653 -0.353 1 1 33 . 14 1 1 A 3 3 GLY N N 3 108.200 112.391 -4.191 1 1 34 . 14 1 1 A 4 4 VAL H H 4 9.060 8.726 0.334 1 1 35 . 14 1 1 A 4 4 VAL HA H 4 5.080 4.776 0.304 1 1 43 . 14 1 1 A 4 4 VAL C C 4 174.500 174.598 -0.098 1 1 44 . 14 1 1 A 4 4 VAL CA C 4 59.800 60.547 -0.747 1 1 45 . 14 1 1 A 4 4 VAL CB C 4 35.300 35.223 0.077 1 1 48 . 14 1 1 A 4 4 VAL N N 4 120.200 122.405 -2.205 1 1 49 . 14 1 1 A 5 5 VAL H H 5 8.750 8.650 0.100 1 1 50 . 14 1 1 A 5 5 VAL HA H 5 4.190 4.554 -0.364 1 1 58 . 14 1 1 A 5 5 VAL C C 5 175.800 175.178 0.622 1 1 59 . 14 1 1 A 5 5 VAL CA C 5 62.800 61.903 0.897 1 1 60 . 14 1 1 A 5 5 VAL CB C 5 31.900 32.193 -0.293 1 1 63 . 14 1 1 A 5 5 VAL N N 5 128.600 128.114 0.486 1 1 64 . 14 1 1 A 6 6 LYS H H 6 8.830 8.471 0.359 1 1 65 . 14 1 1 A 6 6 LYS HA H 6 5.250 5.034 0.216 1 1 74 . 14 1 1 A 6 6 LYS C C 6 174.800 174.867 -0.067 1 1 75 . 14 1 1 A 6 6 LYS CA C 6 54.300 55.205 -0.905 1 1 76 . 14 1 1 A 6 6 LYS CB C 6 33.200 34.133 -0.933 1 1 80 . 14 1 1 A 6 6 LYS N N 6 131.400 127.001 4.399 1 1 81 . 14 1 1 A 7 7 VAL H H 7 8.270 8.661 -0.391 1 1 82 . 14 1 1 A 7 7 VAL HA H 7 4.640 4.919 -0.279 1 1 90 . 14 1 1 A 7 7 VAL C C 7 173.400 177.033 -3.633 1 1 91 . 14 1 1 A 7 7 VAL CA C 7 59.700 59.811 -0.111 1 1 92 . 14 1 1 A 7 7 VAL CB C 7 35.400 35.549 -0.149 1 1 95 . 14 1 1 A 7 7 VAL N N 7 119.000 123.676 -4.676 1 1 96 . 14 1 1 A 8 8 ASN H H 8 8.560 9.083 -0.523 1 1 97 . 14 1 1 A 8 8 ASN HA H 8 4.690 4.562 0.128 1 1 102 . 14 1 1 A 8 8 ASN C C 8 175.600 175.260 0.340 1 1 103 . 14 1 1 A 8 8 ASN CA C 8 54.500 56.021 -1.521 1 1 104 . 14 1 1 A 8 8 ASN CB C 8 38.700 37.850 0.850 1 1 106 . 14 1 1 A 8 8 ASN N N 8 120.700 125.054 -4.354 1 1 108 . 14 1 1 A 9 9 SER H H 9 7.630 7.911 -0.281 1 1 109 . 14 1 1 A 9 9 SER HA H 9 4.450 4.777 -0.327 1 1 112 . 14 1 1 A 9 9 SER C C 9 172.800 173.092 -0.292 1 1 113 . 14 1 1 A 9 9 SER CA C 9 58.100 55.894 2.206 1 1 114 . 14 1 1 A 9 9 SER CB C 9 63.500 64.977 -1.477 1 1 115 . 14 1 1 A 9 9 SER N N 9 112.800 113.295 -0.495 1 1 116 . 14 1 1 A 10 10 ALA H H 10 8.330 8.248 0.082 1 1 117 . 14 1 1 A 10 10 ALA HA H 10 4.530 4.893 -0.363 1 1 121 . 14 1 1 A 10 10 ALA C C 10 175.300 175.821 -0.521 1 1 122 . 14 1 1 A 10 10 ALA CA C 10 52.400 50.815 1.585 1 1 123 . 14 1 1 A 10 10 ALA CB C 10 20.900 20.800 0.100 1 1 124 . 14 1 1 A 10 10 ALA N N 10 123.900 124.226 -0.326 1 1 125 . 14 1 1 A 11 11 LEU H H 11 8.930 8.808 0.122 1 1 126 . 14 1 1 A 11 11 LEU HA H 11 4.530 4.898 -0.368 1 1 136 . 14 1 1 A 11 11 LEU C C 11 175.300 175.252 0.048 1 1 137 . 14 1 1 A 11 11 LEU CA C 11 52.600 53.403 -0.803 1 1 138 . 14 1 1 A 11 11 LEU CB C 11 45.900 45.715 0.185 1 1 142 . 14 1 1 A 11 11 LEU N N 11 123.600 123.310 0.290 1 1 143 . 14 1 1 A 12 12 ASN H H 12 8.800 8.648 0.152 1 1 144 . 14 1 1 A 12 12 ASN HA H 12 5.030 4.945 0.085 1 1 149 . 14 1 1 A 12 12 ASN C C 12 174.000 175.293 -1.293 1 1 150 . 14 1 1 A 12 12 ASN CA C 12 53.800 53.322 0.478 1 1 151 . 14 1 1 A 12 12 ASN CB C 12 39.500 39.168 0.332 1 1 153 . 14 1 1 A 12 12 ASN N N 12 123.600 124.679 -1.079 1 1 155 . 14 1 1 A 13 13 MET H H 13 8.630 8.839 -0.209 1 1 156 . 14 1 1 A 13 13 MET HA H 13 4.970 4.864 0.106 1 1 164 . 14 1 1 A 13 13 MET C C 13 176.000 175.827 0.173 1 1 165 . 14 1 1 A 13 13 MET CA C 13 54.900 54.750 0.150 1 1 166 . 14 1 1 A 13 13 MET CB C 13 35.200 33.837 1.363 1 1 169 . 14 1 1 A 13 13 MET N N 13 122.600 124.449 -1.849 1 1 170 . 14 1 1 A 14 14 ARG H H 14 9.730 8.522 1.208 1 1 171 . 14 1 1 A 14 14 ARG HA H 14 5.760 4.942 0.818 1 1 178 . 14 1 1 A 14 14 ARG C C 14 177.700 176.424 1.276 1 1 179 . 14 1 1 A 14 14 ARG CA C 14 54.900 54.278 0.622 1 1 180 . 14 1 1 A 14 14 ARG CB C 14 34.600 33.116 1.484 1 1 183 . 14 1 1 A 14 14 ARG N N 14 125.200 125.190 0.010 1 1 184 . 14 1 1 A 15 15 SER H H 15 9.010 8.912 0.098 1 1 185 . 14 1 1 A 15 15 SER HA H 15 4.580 4.644 -0.064 1 1 188 . 14 1 1 A 15 15 SER C C 15 173.100 174.058 -0.958 1 1 189 . 14 1 1 A 15 15 SER CA C 15 59.100 59.002 0.098 1 1 190 . 14 1 1 A 15 15 SER CB C 15 63.600 64.163 -0.563 1 1 191 . 14 1 1 A 15 15 SER N N 15 113.600 119.198 -5.598 1 1 192 . 14 1 1 A 16 16 GLY H H 16 6.940 7.465 -0.525 1 1 193 . 14 1 1 A 16 16 GLY HA2 H 16 1.050 3.449 -2.399 1 1 194 . 14 1 1 A 16 16 GLY HA3 H 16 3.010 3.459 -0.449 1 1 195 . 14 1 1 A 16 16 GLY CA C 16 43.700 44.680 -0.980 1 1 196 . 14 1 1 A 16 16 GLY N N 16 109.500 108.807 0.693 1 1 197 . 14 1 1 A 17 17 PRO HA H 17 3.070 2.865 0.205 1 1 204 . 14 1 1 A 17 17 PRO C C 17 172.400 175.279 -2.879 1 1 205 . 14 1 1 A 17 17 PRO CA C 17 60.200 62.362 -2.162 1 1 206 . 14 1 1 A 17 17 PRO CB C 17 28.300 30.273 -1.973 1 1 209 . 14 1 1 A 18 18 GLY H H 18 6.650 7.033 -0.383 1 1 210 . 14 1 1 A 18 18 GLY HA2 H 18 3.630 4.087 -0.457 1 1 211 . 14 1 1 A 18 18 GLY HA3 H 18 4.010 4.184 -0.174 1 1 212 . 14 1 1 A 18 18 GLY C C 18 173.200 174.500 -1.300 1 1 213 . 14 1 1 A 18 18 GLY CA C 18 46.200 44.642 1.558 1 1 214 . 14 1 1 A 18 18 GLY N N 18 110.400 111.784 -1.384 1 1 215 . 14 1 1 A 19 19 SER H H 19 8.960 8.936 0.024 1 1 216 . 14 1 1 A 19 19 SER HA H 19 4.200 4.288 -0.088 1 1 219 . 14 1 1 A 19 19 SER C C 19 173.600 175.527 -1.927 1 1 220 . 14 1 1 A 19 19 SER CA C 19 60.600 59.987 0.613 1 1 221 . 14 1 1 A 19 19 SER CB C 19 63.200 62.837 0.363 1 1 222 . 14 1 1 A 19 19 SER N N 19 115.800 117.101 -1.301 1 1 223 . 14 1 1 A 20 20 ASN H H 20 8.720 8.161 0.559 1 1 224 . 14 1 1 A 20 20 ASN HA H 20 4.560 4.678 -0.118 1 1 229 . 14 1 1 A 20 20 ASN C C 20 175.300 175.907 -0.607 1 1 230 . 14 1 1 A 20 20 ASN CA C 20 53.300 53.630 -0.330 1 1 231 . 14 1 1 A 20 20 ASN CB C 20 37.300 38.334 -1.034 1 1 233 . 14 1 1 A 20 20 ASN N N 20 115.000 119.425 -4.425 1 1 235 . 14 1 1 A 21 21 TYR H H 21 7.040 7.709 -0.669 1 1 236 . 14 1 1 A 21 21 TYR HA H 21 4.290 4.576 -0.286 1 1 243 . 14 1 1 A 21 21 TYR C C 21 175.700 175.873 -0.173 1 1 244 . 14 1 1 A 21 21 TYR CA C 21 58.800 57.792 1.008 1 1 245 . 14 1 1 A 21 21 TYR CB C 21 39.400 38.754 0.646 1 1 250 . 14 1 1 A 21 21 TYR N N 21 119.200 117.154 2.046 1 1 251 . 14 1 1 A 22 22 GLY H H 22 8.450 7.932 0.518 1 1 252 . 14 1 1 A 22 22 GLY HA2 H 22 3.820 4.086 -0.266 1 1 253 . 14 1 1 A 22 22 GLY HA3 H 22 4.090 4.093 -0.003 1 1 254 . 14 1 1 A 22 22 GLY C C 22 172.700 172.441 0.259 1 1 255 . 14 1 1 A 22 22 GLY CA C 22 45.300 44.668 0.632 1 1 256 . 14 1 1 A 22 22 GLY N N 22 107.800 108.242 -0.442 1 1 257 . 14 1 1 A 23 23 VAL H H 23 8.470 8.205 0.265 1 1 258 . 14 1 1 A 23 23 VAL HA H 23 4.320 5.225 -0.905 1 1 266 . 14 1 1 A 23 23 VAL C C 23 178.000 175.680 2.320 1 1 267 . 14 1 1 A 23 23 VAL CA C 23 63.700 59.438 4.262 1 1 268 . 14 1 1 A 23 23 VAL CB C 23 32.700 34.707 -2.007 1 1 271 . 14 1 1 A 23 23 VAL N N 23 120.200 119.093 1.107 1 1 272 . 14 1 1 A 24 24 ILE H H 24 9.120 8.919 0.201 1 1 273 . 14 1 1 A 24 24 ILE HA H 24 4.740 4.568 0.172 1 1 283 . 14 1 1 A 24 24 ILE C C 24 175.300 175.816 -0.516 1 1 284 . 14 1 1 A 24 24 ILE CA C 24 60.500 61.319 -0.819 1 1 285 . 14 1 1 A 24 24 ILE CB C 24 39.900 39.313 0.587 1 1 289 . 14 1 1 A 24 24 ILE N N 24 120.900 129.856 -8.956 1 1 290 . 14 1 1 A 25 25 GLY H H 25 7.770 7.542 0.228 1 1 291 . 14 1 1 A 25 25 GLY HA2 H 25 4.130 4.180 -0.050 1 1 292 . 14 1 1 A 25 25 GLY HA3 H 25 4.310 4.187 0.123 1 1 293 . 14 1 1 A 25 25 GLY C C 25 171.100 171.527 -0.427 1 1 294 . 14 1 1 A 25 25 GLY CA C 25 45.500 45.707 -0.207 1 1 295 . 14 1 1 A 25 25 GLY N N 25 109.200 108.353 0.847 1 1 296 . 14 1 1 A 26 26 THR H H 26 8.440 8.613 -0.173 1 1 297 . 14 1 1 A 26 26 THR HA H 26 5.080 5.478 -0.398 1 1 302 . 14 1 1 A 26 26 THR C C 26 173.000 173.663 -0.663 1 1 303 . 14 1 1 A 26 26 THR CA C 26 61.400 59.679 1.721 1 1 304 . 14 1 1 A 26 26 THR CB C 26 72.200 72.223 -0.023 1 1 306 . 14 1 1 A 26 26 THR N N 26 113.900 115.577 -1.677 1 1 307 . 14 1 1 A 27 27 LEU H H 27 9.180 9.300 -0.120 1 1 308 . 14 1 1 A 27 27 LEU HA H 27 4.480 5.128 -0.648 1 1 318 . 14 1 1 A 27 27 LEU C C 27 174.900 175.856 -0.956 1 1 319 . 14 1 1 A 27 27 LEU CA C 27 53.400 53.467 -0.067 1 1 320 . 14 1 1 A 27 27 LEU CB C 27 45.000 45.338 -0.338 1 1 324 . 14 1 1 A 27 27 LEU N N 27 125.600 123.603 1.997 1 1 325 . 14 1 1 A 28 28 ARG H H 28 9.280 9.328 -0.048 1 1 326 . 14 1 1 A 28 28 ARG HA H 28 4.510 4.696 -0.186 1 1 333 . 14 1 1 A 28 28 ARG C C 28 175.300 175.630 -0.330 1 1 334 . 14 1 1 A 28 28 ARG CA C 28 53.300 53.956 -0.656 1 1 335 . 14 1 1 A 28 28 ARG CB C 28 33.100 32.962 0.138 1 1 338 . 14 1 1 A 28 28 ARG N N 28 120.600 121.743 -1.143 1 1 339 . 14 1 1 A 29 29 ASN H H 29 8.360 8.637 -0.277 1 1 340 . 14 1 1 A 29 29 ASN HA H 29 4.070 4.646 -0.576 1 1 345 . 14 1 1 A 29 29 ASN C C 29 176.500 175.050 1.450 1 1 346 . 14 1 1 A 29 29 ASN CA C 29 56.100 52.998 3.102 1 1 347 . 14 1 1 A 29 29 ASN CB C 29 39.300 39.001 0.299 1 1 349 . 14 1 1 A 29 29 ASN N N 29 117.200 119.062 -1.862 1 1 351 . 14 1 1 A 30 30 ASN H H 30 9.290 8.625 0.665 1 1 352 . 14 1 1 A 30 30 ASN HA H 30 4.300 4.270 0.030 1 1 357 . 14 1 1 A 30 30 ASN C C 30 175.100 174.024 1.076 1 1 358 . 14 1 1 A 30 30 ASN CA C 30 55.500 54.361 1.139 1 1 359 . 14 1 1 A 30 30 ASN CB C 30 37.300 37.273 0.027 1 1 361 . 14 1 1 A 30 30 ASN N N 30 118.900 114.954 3.946 1 1 363 . 14 1 1 A 31 31 ASP H H 31 8.210 8.021 0.189 1 1 364 . 14 1 1 A 31 31 ASP HA H 31 4.700 4.658 0.042 1 1 367 . 14 1 1 A 31 31 ASP C C 31 175.300 175.163 0.137 1 1 368 . 14 1 1 A 31 31 ASP CA C 31 56.500 53.539 2.961 1 1 369 . 14 1 1 A 31 31 ASP CB C 31 41.200 40.819 0.381 1 1 370 . 14 1 1 A 31 31 ASP N N 31 122.300 118.146 4.154 1 1 371 . 14 1 1 A 32 32 LYS H H 32 8.510 8.527 -0.017 1 1 372 . 14 1 1 A 32 32 LYS HA H 32 5.140 4.411 0.729 1 1 381 . 14 1 1 A 32 32 LYS C C 32 176.600 176.658 -0.058 1 1 382 . 14 1 1 A 32 32 LYS CA C 32 55.400 56.459 -1.059 1 1 383 . 14 1 1 A 32 32 LYS CB C 32 33.500 32.964 0.536 1 1 387 . 14 1 1 A 32 32 LYS N N 32 121.500 124.442 -2.942 1 1 388 . 14 1 1 A 33 33 VAL H H 33 8.650 9.188 -0.538 1 1 389 . 14 1 1 A 33 33 VAL HA H 33 5.020 4.970 0.050 1 1 397 . 14 1 1 A 33 33 VAL C C 33 174.200 174.166 0.034 1 1 398 . 14 1 1 A 33 33 VAL CA C 33 58.200 58.700 -0.500 1 1 399 . 14 1 1 A 33 33 VAL CB C 33 34.900 35.800 -0.900 1 1 402 . 14 1 1 A 33 33 VAL N N 33 113.500 117.796 -4.296 1 1 403 . 14 1 1 A 34 34 GLU H H 34 8.070 8.760 -0.690 1 1 404 . 14 1 1 A 34 34 GLU HA H 34 4.780 4.916 -0.136 1 1 409 . 14 1 1 A 34 34 GLU C C 34 176.000 175.567 0.433 1 1 410 . 14 1 1 A 34 34 GLU CA C 34 55.000 55.235 -0.235 1 1 411 . 14 1 1 A 34 34 GLU CB C 34 31.400 31.594 -0.194 1 1 413 . 14 1 1 A 34 34 GLU N N 34 122.300 120.830 1.470 1 1 414 . 14 1 1 A 35 35 ILE H H 35 8.610 8.945 -0.335 1 1 415 . 14 1 1 A 35 35 ILE HA H 35 4.100 4.363 -0.263 1 1 425 . 14 1 1 A 35 35 ILE C C 35 175.600 175.444 0.156 1 1 426 . 14 1 1 A 35 35 ILE CA C 35 61.200 61.661 -0.461 1 1 427 . 14 1 1 A 35 35 ILE CB C 35 38.800 37.456 1.344 1 1 431 . 14 1 1 A 35 35 ILE N N 35 125.500 125.389 0.111 1 1 432 . 14 1 1 A 36 36 ILE H H 36 9.450 9.225 0.225 1 1 433 . 14 1 1 A 36 36 ILE HA H 36 3.990 4.090 -0.100 1 1 443 . 14 1 1 A 36 36 ILE C C 36 176.500 175.962 0.538 1 1 444 . 14 1 1 A 36 36 ILE CA C 36 63.100 63.354 -0.254 1 1 445 . 14 1 1 A 36 36 ILE CB C 36 38.800 38.138 0.662 1 1 449 . 14 1 1 A 36 36 ILE N N 36 129.500 128.935 0.565 1 1 450 . 14 1 1 A 37 37 LYS H H 37 7.630 7.692 -0.062 1 1 451 . 14 1 1 A 37 37 LYS HA H 37 4.670 4.917 -0.247 1 1 460 . 14 1 1 A 37 37 LYS C C 37 173.100 174.174 -1.074 1 1 461 . 14 1 1 A 37 37 LYS CA C 37 55.700 55.191 0.509 1 1 462 . 14 1 1 A 37 37 LYS CB C 37 34.700 37.003 -2.303 1 1 466 . 14 1 1 A 37 37 LYS N N 37 113.300 118.991 -5.691 1 1 467 . 14 1 1 A 38 38 GLU H H 38 8.800 9.205 -0.405 1 1 468 . 14 1 1 A 38 38 GLU HA H 38 5.360 5.305 0.055 1 1 473 . 14 1 1 A 38 38 GLU C C 38 175.300 175.191 0.109 1 1 474 . 14 1 1 A 38 38 GLU CA C 38 55.400 54.805 0.595 1 1 475 . 14 1 1 A 38 38 GLU CB C 38 32.500 32.480 0.020 1 1 477 . 14 1 1 A 38 38 GLU N N 38 122.000 123.425 -1.425 1 1 478 . 14 1 1 A 39 39 VAL H H 39 9.550 8.973 0.577 1 1 479 . 14 1 1 A 39 39 VAL HA H 39 4.360 4.537 -0.177 1 1 487 . 14 1 1 A 39 39 VAL C C 39 174.500 175.644 -1.144 1 1 488 . 14 1 1 A 39 39 VAL CA C 39 61.600 61.096 0.504 1 1 489 . 14 1 1 A 39 39 VAL CB C 39 34.400 34.436 -0.036 1 1 492 . 14 1 1 A 39 39 VAL N N 39 126.000 126.006 -0.006 1 1 493 . 14 1 1 A 40 40 ASP H H 40 8.960 9.417 -0.457 1 1 494 . 14 1 1 A 40 40 ASP HA H 40 4.340 4.371 -0.031 1 1 497 . 14 1 1 A 40 40 ASP C C 40 175.800 176.259 -0.459 1 1 498 . 14 1 1 A 40 40 ASP CA C 40 55.900 55.867 0.033 1 1 499 . 14 1 1 A 40 40 ASP CB C 40 40.700 39.636 1.064 1 1 500 . 14 1 1 A 40 40 ASP N N 40 125.700 128.855 -3.155 1 1 501 . 14 1 1 A 41 41 GLY H H 41 8.870 8.307 0.563 1 1 502 . 14 1 1 A 41 41 GLY HA2 H 41 3.510 3.640 -0.130 1 1 503 . 14 1 1 A 41 41 GLY HA3 H 41 4.190 3.670 0.520 1 1 504 . 14 1 1 A 41 41 GLY C C 41 173.900 173.869 0.031 1 1 505 . 14 1 1 A 41 41 GLY CA C 41 45.700 45.246 0.454 1 1 506 . 14 1 1 A 41 41 GLY N N 41 105.500 104.436 1.064 1 1 507 . 14 1 1 A 42 42 TRP H H 42 8.580 8.101 0.479 1 1 508 . 14 1 1 A 42 42 TRP HA H 42 4.700 4.610 0.090 1 1 517 . 14 1 1 A 42 42 TRP C C 42 175.300 175.751 -0.451 1 1 518 . 14 1 1 A 42 42 TRP CA C 42 56.300 57.489 -1.189 1 1 519 . 14 1 1 A 42 42 TRP CB C 42 31.300 30.422 0.878 1 1 525 . 14 1 1 A 42 42 TRP N N 42 122.900 120.904 1.996 1 1 527 . 14 1 1 A 43 43 TYR H H 43 9.400 8.654 0.746 1 1 528 . 14 1 1 A 43 43 TYR HA H 43 5.630 5.133 0.497 1 1 535 . 14 1 1 A 43 43 TYR C C 43 175.800 175.329 0.471 1 1 536 . 14 1 1 A 43 43 TYR CA C 43 55.900 57.273 -1.373 1 1 537 . 14 1 1 A 43 43 TYR CB C 43 40.200 40.249 -0.049 1 1 542 . 14 1 1 A 43 43 TYR N N 43 119.000 122.444 -3.444 1 1 543 . 14 1 1 A 44 44 GLU H H 44 9.110 9.396 -0.286 1 1 544 . 14 1 1 A 44 44 GLU HA H 44 4.040 4.376 -0.336 1 1 549 . 14 1 1 A 44 44 GLU C C 44 175.500 176.417 -0.917 1 1 550 . 14 1 1 A 44 44 GLU CA C 44 55.500 56.359 -0.859 1 1 551 . 14 1 1 A 44 44 GLU CB C 44 31.200 30.620 0.580 1 1 553 . 14 1 1 A 44 44 GLU N N 44 125.600 124.678 0.922 1 1 554 . 14 1 1 A 45 45 ILE H H 45 9.300 9.027 0.273 1 1 555 . 14 1 1 A 45 45 ILE HA H 45 5.550 5.376 0.174 1 1 565 . 14 1 1 A 45 45 ILE C C 45 173.700 173.498 0.202 1 1 566 . 14 1 1 A 45 45 ILE CA C 45 58.300 58.669 -0.369 1 1 567 . 14 1 1 A 45 45 ILE CB C 45 43.200 42.232 0.968 1 1 571 . 14 1 1 A 45 45 ILE N N 45 122.700 121.020 1.680 1 1 572 . 14 1 1 A 46 46 ARG H H 46 8.730 8.412 0.318 1 1 573 . 14 1 1 A 46 46 ARG HA H 46 5.310 5.655 -0.345 1 1 580 . 14 1 1 A 46 46 ARG C C 46 176.400 174.715 1.685 1 1 581 . 14 1 1 A 46 46 ARG CA C 46 54.400 54.382 0.018 1 1 582 . 14 1 1 A 46 46 ARG CB C 46 33.600 33.721 -0.121 1 1 585 . 14 1 1 A 46 46 ARG N N 46 118.900 122.603 -3.703 1 1 586 . 14 1 1 A 47 47 PHE H H 47 9.080 9.468 -0.388 1 1 587 . 14 1 1 A 47 47 PHE HA H 47 4.850 4.799 0.051 1 1 595 . 14 1 1 A 47 47 PHE C C 47 174.500 174.818 -0.318 1 1 596 . 14 1 1 A 47 47 PHE CA C 47 57.300 57.769 -0.469 1 1 597 . 14 1 1 A 47 47 PHE CB C 47 42.500 43.004 -0.504 1 1 603 . 14 1 1 A 47 47 PHE N N 47 126.500 126.925 -0.425 1 1 604 . 14 1 1 A 48 48 ASN H H 48 9.140 8.632 0.508 1 1 605 . 14 1 1 A 48 48 ASN HA H 48 4.080 4.136 -0.056 1 1 610 . 14 1 1 A 48 48 ASN C C 48 175.100 175.516 -0.416 1 1 611 . 14 1 1 A 48 48 ASN CA C 48 53.500 54.115 -0.615 1 1 612 . 14 1 1 A 48 48 ASN CB C 48 37.100 37.207 -0.107 1 1 614 . 14 1 1 A 48 48 ASN N N 48 128.500 125.127 3.373 1 1 616 . 14 1 1 A 49 49 GLY H H 49 8.600 8.577 0.023 1 1 617 . 14 1 1 A 49 49 GLY HA2 H 49 3.510 3.822 -0.312 1 1 618 . 14 1 1 A 49 49 GLY HA3 H 49 4.110 3.825 0.285 1 1 619 . 14 1 1 A 49 49 GLY C C 49 173.600 173.743 -0.143 1 1 620 . 14 1 1 A 49 49 GLY CA C 49 45.600 45.338 0.262 1 1 621 . 14 1 1 A 49 49 GLY N N 49 103.100 103.839 -0.739 1 1 622 . 14 1 1 A 50 50 LYS H H 50 7.850 8.145 -0.295 1 1 623 . 14 1 1 A 50 50 LYS HA H 50 4.620 4.739 -0.119 1 1 632 . 14 1 1 A 50 50 LYS C C 50 174.600 175.562 -0.962 1 1 633 . 14 1 1 A 50 50 LYS CA C 50 54.900 54.359 0.541 1 1 634 . 14 1 1 A 50 50 LYS CB C 50 35.100 34.740 0.360 1 1 638 . 14 1 1 A 50 50 LYS N N 50 121.700 120.518 1.182 1 1 639 . 14 1 1 A 51 51 VAL H H 51 8.120 8.691 -0.571 1 1 640 . 14 1 1 A 51 51 VAL HA H 51 5.100 5.079 0.021 1 1 648 . 14 1 1 A 51 51 VAL C C 51 176.100 175.774 0.326 1 1 649 . 14 1 1 A 51 51 VAL CA C 51 60.700 60.272 0.428 1 1 650 . 14 1 1 A 51 51 VAL CB C 51 33.400 34.664 -1.264 1 1 653 . 14 1 1 A 51 51 VAL N N 51 122.100 123.095 -0.995 1 1 654 . 14 1 1 A 52 52 GLY H H 52 8.430 8.260 0.170 1 1 655 . 14 1 1 A 52 52 GLY HA2 H 52 3.760 4.316 -0.556 1 1 656 . 14 1 1 A 52 52 GLY HA3 H 52 4.230 4.320 -0.090 1 1 657 . 14 1 1 A 52 52 GLY C C 52 170.300 171.299 -0.999 1 1 658 . 14 1 1 A 52 52 GLY CA C 52 45.600 46.045 -0.445 1 1 659 . 14 1 1 A 52 52 GLY N N 52 113.100 112.780 0.320 1 1 660 . 14 1 1 A 53 53 TYR H H 53 9.260 9.313 -0.053 1 1 661 . 14 1 1 A 53 53 TYR HA H 53 5.990 5.762 0.228 1 1 668 . 14 1 1 A 53 53 TYR C C 53 175.700 175.311 0.389 1 1 669 . 14 1 1 A 53 53 TYR CA C 53 56.800 56.736 0.064 1 1 670 . 14 1 1 A 53 53 TYR CB C 53 42.800 43.343 -0.543 1 1 675 . 14 1 1 A 53 53 TYR N N 53 118.000 119.103 -1.103 1 1 676 . 14 1 1 A 54 54 ALA H H 54 9.210 8.587 0.623 1 1 677 . 14 1 1 A 54 54 ALA HA H 54 5.280 5.385 -0.105 1 1 681 . 14 1 1 A 54 54 ALA C C 54 175.800 175.735 0.065 1 1 682 . 14 1 1 A 54 54 ALA CA C 54 50.900 51.053 -0.153 1 1 683 . 14 1 1 A 54 54 ALA CB C 54 23.800 23.626 0.174 1 1 684 . 14 1 1 A 54 54 ALA N N 54 122.000 122.700 -0.700 1 1 685 . 14 1 1 A 55 55 SER H H 55 8.620 8.863 -0.243 1 1 686 . 14 1 1 A 55 55 SER HA H 55 3.270 3.762 -0.492 1 1 689 . 14 1 1 A 55 55 SER C C 55 175.400 175.827 -0.427 1 1 690 . 14 1 1 A 55 55 SER CA C 55 59.100 58.274 0.826 1 1 691 . 14 1 1 A 55 55 SER CB C 55 63.200 63.218 -0.018 1 1 692 . 14 1 1 A 55 55 SER N N 55 117.400 115.236 2.164 1 1 693 . 14 1 1 A 56 56 LYS H H 56 7.630 8.368 -0.738 1 1 694 . 14 1 1 A 56 56 LYS HA H 56 3.750 4.188 -0.438 1 1 703 . 14 1 1 A 56 56 LYS C C 56 177.100 178.365 -1.265 1 1 704 . 14 1 1 A 56 56 LYS CA C 56 58.600 58.994 -0.394 1 1 705 . 14 1 1 A 56 56 LYS CB C 56 32.300 32.011 0.289 1 1 709 . 14 1 1 A 56 56 LYS N N 56 124.500 125.215 -0.715 1 1 710 . 14 1 1 A 57 57 SER H H 57 7.670 7.629 0.041 1 1 711 . 14 1 1 A 57 57 SER HA H 57 3.930 4.007 -0.077 1 1 714 . 14 1 1 A 57 57 SER C C 57 174.100 175.090 -0.990 1 1 715 . 14 1 1 A 57 57 SER CA C 57 60.700 62.455 -1.755 1 1 716 . 14 1 1 A 57 57 SER CB C 57 62.800 63.062 -0.262 1 1 717 . 14 1 1 A 57 57 SER N N 57 112.000 117.350 -5.350 1 1 718 . 14 1 1 A 58 58 TYR H H 58 6.990 7.630 -0.640 1 1 719 . 14 1 1 A 58 58 TYR HA H 58 4.800 4.698 0.102 1 1 726 . 14 1 1 A 58 58 TYR C C 58 173.300 174.452 -1.152 1 1 727 . 14 1 1 A 58 58 TYR CA C 58 57.400 57.729 -0.329 1 1 728 . 14 1 1 A 58 58 TYR CB C 58 40.500 38.129 2.371 1 1 733 . 14 1 1 A 58 58 TYR N N 58 116.100 117.412 -1.312 1 1 734 . 14 1 1 A 59 59 ILE H H 59 7.300 7.427 -0.127 1 1 735 . 14 1 1 A 59 59 ILE HA H 59 4.790 4.738 0.052 1 1 745 . 14 1 1 A 59 59 ILE C C 59 174.500 174.495 0.005 1 1 746 . 14 1 1 A 59 59 ILE CA C 59 59.300 60.127 -0.827 1 1 747 . 14 1 1 A 59 59 ILE CB C 59 40.800 39.593 1.207 1 1 751 . 14 1 1 A 59 59 ILE N N 59 119.000 120.384 -1.384 1 1 752 . 14 1 1 A 60 60 THR H H 60 8.980 8.804 0.176 1 1 753 . 14 1 1 A 60 60 THR HA H 60 4.580 4.903 -0.323 1 1 758 . 14 1 1 A 60 60 THR C C 60 173.800 173.094 0.706 1 1 759 . 14 1 1 A 60 60 THR CA C 60 60.800 61.773 -0.973 1 1 760 . 14 1 1 A 60 60 THR CB C 60 71.100 70.819 0.281 1 1 762 . 14 1 1 A 60 60 THR N N 60 123.600 123.769 -0.169 1 1 763 . 14 1 1 A 61 61 ILE H H 61 8.680 8.980 -0.300 1 1 764 . 14 1 1 A 61 61 ILE HA H 61 4.180 4.478 -0.298 1 1 774 . 14 1 1 A 61 61 ILE C C 61 176.400 175.067 1.333 1 1 775 . 14 1 1 A 61 61 ILE CA C 61 61.800 60.374 1.426 1 1 776 . 14 1 1 A 61 61 ILE CB C 61 37.900 38.016 -0.116 1 1 780 . 14 1 1 A 61 61 ILE N N 61 127.200 128.533 -1.333 1 1 781 . 14 1 1 A 62 62 VAL H H 62 8.370 8.931 -0.561 1 1 782 . 14 1 1 A 62 62 VAL HA H 62 4.140 4.930 -0.790 1 1 790 . 14 1 1 A 62 62 VAL C C 62 175.200 174.760 0.440 1 1 791 . 14 1 1 A 62 62 VAL CA C 62 61.800 60.605 1.195 1 1 792 . 14 1 1 A 62 62 VAL CB C 62 33.200 33.039 0.161 1 1 795 . 14 1 1 A 62 62 VAL N N 62 126.600 124.170 2.430 1 1 796 . 14 1 1 A 63 63 ASN H H 63 8.590 8.509 0.081 1 1 797 . 14 1 1 A 63 63 ASN HA H 63 4.730 4.961 -0.231 1 1 802 . 14 1 1 A 63 63 ASN C C 63 175.200 174.360 0.840 1 1 803 . 14 1 1 A 63 63 ASN CA C 63 53.200 52.434 0.766 1 1 804 . 14 1 1 A 63 63 ASN CB C 63 39.100 39.917 -0.817 1 1 806 . 14 1 1 A 63 63 ASN N N 63 123.500 124.737 -1.237 1 1 808 . 14 1 1 A 64 64 GLU H H 64 8.620 7.725 0.895 1 1 809 . 14 1 1 A 64 64 GLU HA H 64 4.250 4.223 0.027 1 1 814 . 14 1 1 A 64 64 GLU C C 64 177.000 176.509 0.491 1 1 815 . 14 1 1 A 64 64 GLU CA C 64 57.100 57.959 -0.859 1 1 816 . 14 1 1 A 64 64 GLU CB C 64 30.400 30.427 -0.027 1 1 818 . 14 1 1 A 64 64 GLU N N 64 122.700 120.220 2.480 1 1 819 . 14 1 1 A 65 65 GLY H H 65 8.490 8.368 0.122 1 1 820 . 14 1 1 A 65 65 GLY HA2 H 65 3.980 4.156 -0.176 1 1 821 . 14 1 1 A 65 65 GLY HA3 H 65 3.980 4.158 -0.178 1 1 822 . 14 1 1 A 65 65 GLY C C 65 174.300 173.863 0.437 1 1 823 . 14 1 1 A 65 65 GLY CA C 65 45.500 45.673 -0.173 1 1 824 . 14 1 1 A 65 65 GLY N N 65 109.600 110.855 -1.255 1 1 825 . 14 1 1 A 66 66 SER H H 66 8.180 8.320 -0.140 1 1 826 . 14 1 1 A 66 66 SER HA H 66 4.450 4.197 0.253 1 1 829 . 14 1 1 A 66 66 SER C C 66 174.900 173.790 1.110 1 1 830 . 14 1 1 A 66 66 SER CA C 66 58.300 59.175 -0.875 1 1 831 . 14 1 1 A 66 66 SER CB C 66 63.700 62.159 1.541 1 1 832 . 14 1 1 A 66 66 SER N N 66 115.500 113.309 2.191 1 1 833 . 14 1 1 A 67 67 LEU H H 67 8.300 8.534 -0.234 1 1 834 . 14 1 1 A 67 67 LEU HA H 67 4.300 4.283 0.017 1 1 844 . 14 1 1 A 67 67 LEU C C 67 177.500 176.806 0.694 1 1 845 . 14 1 1 A 67 67 LEU CA C 67 55.400 55.309 0.091 1 1 846 . 14 1 1 A 67 67 LEU CB C 67 42.200 42.398 -0.198 1 1 850 . 14 1 1 A 67 67 LEU N N 67 123.800 126.875 -3.075 1 1 851 . 14 1 1 A 68 68 GLU H H 68 8.270 8.726 -0.456 1 1 852 . 14 1 1 A 68 68 GLU HA H 68 4.160 4.225 -0.065 1 1 857 . 14 1 1 A 68 68 GLU CA C 68 56.900 58.206 -1.306 1 1 858 . 14 1 1 A 68 68 GLU CB C 68 30.100 29.769 0.331 1 1 860 . 14 1 1 A 68 68 GLU N N 68 120.700 122.656 -1.956 1 1 861 . 14 1 1 A 69 69 HIS C C 69 173.900 174.828 -0.928 1 1 862 . 14 1 1 A 70 70 HIS H H 70 8.140 8.788 -0.648 1 1 863 . 14 1 1 A 70 70 HIS CA C 70 57.200 55.876 1.324 1 1 864 . 14 1 1 A 70 70 HIS CB C 70 30.200 33.524 -3.324 1 1 14 . 15 1 1 A 2 2 GLN H H 2 9.330 8.917 0.413 1 1 15 . 15 1 1 A 2 2 GLN HA H 2 5.000 5.038 -0.038 1 1 22 . 15 1 1 A 2 2 GLN C C 2 174.500 175.852 -1.352 1 1 23 . 15 1 1 A 2 2 GLN CA C 2 55.500 54.072 1.428 1 1 24 . 15 1 1 A 2 2 GLN CB C 2 31.700 31.361 0.339 1 1 26 . 15 1 1 A 2 2 GLN N N 2 125.400 125.989 -0.589 1 1 28 . 15 1 1 A 3 3 GLY H H 3 8.860 9.002 -0.142 1 1 29 . 15 1 1 A 3 3 GLY HA2 H 3 3.070 4.061 -0.991 1 1 30 . 15 1 1 A 3 3 GLY HA3 H 3 5.250 4.070 1.180 1 1 31 . 15 1 1 A 3 3 GLY C C 3 171.800 172.511 -0.711 1 1 32 . 15 1 1 A 3 3 GLY CA C 3 44.300 44.773 -0.473 1 1 33 . 15 1 1 A 3 3 GLY N N 3 108.200 112.077 -3.877 1 1 34 . 15 1 1 A 4 4 VAL H H 4 9.060 8.725 0.335 1 1 35 . 15 1 1 A 4 4 VAL HA H 4 5.080 4.838 0.242 1 1 43 . 15 1 1 A 4 4 VAL C C 4 174.500 174.643 -0.143 1 1 44 . 15 1 1 A 4 4 VAL CA C 4 59.800 60.630 -0.830 1 1 45 . 15 1 1 A 4 4 VAL CB C 4 35.300 34.879 0.421 1 1 48 . 15 1 1 A 4 4 VAL N N 4 120.200 122.793 -2.593 1 1 49 . 15 1 1 A 5 5 VAL H H 5 8.750 8.667 0.083 1 1 50 . 15 1 1 A 5 5 VAL HA H 5 4.190 4.577 -0.387 1 1 58 . 15 1 1 A 5 5 VAL C C 5 175.800 175.058 0.742 1 1 59 . 15 1 1 A 5 5 VAL CA C 5 62.800 61.900 0.900 1 1 60 . 15 1 1 A 5 5 VAL CB C 5 31.900 32.199 -0.299 1 1 63 . 15 1 1 A 5 5 VAL N N 5 128.600 128.262 0.338 1 1 64 . 15 1 1 A 6 6 LYS H H 6 8.830 8.364 0.466 1 1 65 . 15 1 1 A 6 6 LYS HA H 6 5.250 4.983 0.267 1 1 74 . 15 1 1 A 6 6 LYS C C 6 174.800 175.390 -0.590 1 1 75 . 15 1 1 A 6 6 LYS CA C 6 54.300 55.201 -0.901 1 1 76 . 15 1 1 A 6 6 LYS CB C 6 33.200 34.057 -0.857 1 1 80 . 15 1 1 A 6 6 LYS N N 6 131.400 127.285 4.115 1 1 81 . 15 1 1 A 7 7 VAL H H 7 8.270 8.709 -0.439 1 1 82 . 15 1 1 A 7 7 VAL HA H 7 4.640 4.763 -0.123 1 1 90 . 15 1 1 A 7 7 VAL C C 7 173.400 175.803 -2.403 1 1 91 . 15 1 1 A 7 7 VAL CA C 7 59.700 58.858 0.842 1 1 92 . 15 1 1 A 7 7 VAL CB C 7 35.400 35.504 -0.104 1 1 95 . 15 1 1 A 7 7 VAL N N 7 119.000 119.321 -0.321 1 1 96 . 15 1 1 A 8 8 ASN H H 8 8.560 9.118 -0.558 1 1 97 . 15 1 1 A 8 8 ASN HA H 8 4.690 4.647 0.043 1 1 102 . 15 1 1 A 8 8 ASN C C 8 175.600 174.732 0.868 1 1 103 . 15 1 1 A 8 8 ASN CA C 8 54.500 54.552 -0.052 1 1 104 . 15 1 1 A 8 8 ASN CB C 8 38.700 39.677 -0.977 1 1 106 . 15 1 1 A 8 8 ASN N N 8 120.700 120.602 0.098 1 1 108 . 15 1 1 A 9 9 SER H H 9 7.630 7.605 0.025 1 1 109 . 15 1 1 A 9 9 SER HA H 9 4.450 4.555 -0.105 1 1 112 . 15 1 1 A 9 9 SER C C 9 172.800 172.914 -0.114 1 1 113 . 15 1 1 A 9 9 SER CA C 9 58.100 55.932 2.168 1 1 114 . 15 1 1 A 9 9 SER CB C 9 63.500 64.962 -1.462 1 1 115 . 15 1 1 A 9 9 SER N N 9 112.800 112.543 0.257 1 1 116 . 15 1 1 A 10 10 ALA H H 10 8.330 8.287 0.043 1 1 117 . 15 1 1 A 10 10 ALA HA H 10 4.530 4.570 -0.040 1 1 121 . 15 1 1 A 10 10 ALA C C 10 175.300 176.766 -1.466 1 1 122 . 15 1 1 A 10 10 ALA CA C 10 52.400 52.348 0.052 1 1 123 . 15 1 1 A 10 10 ALA CB C 10 20.900 19.307 1.593 1 1 124 . 15 1 1 A 10 10 ALA N N 10 123.900 124.436 -0.536 1 1 125 . 15 1 1 A 11 11 LEU H H 11 8.930 8.645 0.285 1 1 126 . 15 1 1 A 11 11 LEU HA H 11 4.530 4.869 -0.339 1 1 136 . 15 1 1 A 11 11 LEU C C 11 175.300 175.456 -0.156 1 1 137 . 15 1 1 A 11 11 LEU CA C 11 52.600 53.543 -0.943 1 1 138 . 15 1 1 A 11 11 LEU CB C 11 45.900 45.867 0.033 1 1 142 . 15 1 1 A 11 11 LEU N N 11 123.600 123.200 0.400 1 1 143 . 15 1 1 A 12 12 ASN H H 12 8.800 8.678 0.122 1 1 144 . 15 1 1 A 12 12 ASN HA H 12 5.030 4.853 0.177 1 1 149 . 15 1 1 A 12 12 ASN C C 12 174.000 174.560 -0.560 1 1 150 . 15 1 1 A 12 12 ASN CA C 12 53.800 53.537 0.263 1 1 151 . 15 1 1 A 12 12 ASN CB C 12 39.500 39.062 0.438 1 1 153 . 15 1 1 A 12 12 ASN N N 12 123.600 124.725 -1.125 1 1 155 . 15 1 1 A 13 13 MET H H 13 8.630 8.840 -0.210 1 1 156 . 15 1 1 A 13 13 MET HA H 13 4.970 5.247 -0.277 1 1 164 . 15 1 1 A 13 13 MET C C 13 176.000 175.262 0.738 1 1 165 . 15 1 1 A 13 13 MET CA C 13 54.900 54.136 0.764 1 1 166 . 15 1 1 A 13 13 MET CB C 13 35.200 35.454 -0.254 1 1 169 . 15 1 1 A 13 13 MET N N 13 122.600 123.964 -1.364 1 1 170 . 15 1 1 A 14 14 ARG H H 14 9.730 8.559 1.171 1 1 171 . 15 1 1 A 14 14 ARG HA H 14 5.760 4.889 0.871 1 1 178 . 15 1 1 A 14 14 ARG C C 14 177.700 176.903 0.797 1 1 179 . 15 1 1 A 14 14 ARG CA C 14 54.900 54.400 0.500 1 1 180 . 15 1 1 A 14 14 ARG CB C 14 34.600 32.938 1.662 1 1 183 . 15 1 1 A 14 14 ARG N N 14 125.200 125.339 -0.139 1 1 184 . 15 1 1 A 15 15 SER H H 15 9.010 8.994 0.016 1 1 185 . 15 1 1 A 15 15 SER HA H 15 4.580 4.553 0.027 1 1 188 . 15 1 1 A 15 15 SER C C 15 173.100 174.374 -1.274 1 1 189 . 15 1 1 A 15 15 SER CA C 15 59.100 59.816 -0.716 1 1 190 . 15 1 1 A 15 15 SER CB C 15 63.600 63.850 -0.250 1 1 191 . 15 1 1 A 15 15 SER N N 15 113.600 115.560 -1.960 1 1 192 . 15 1 1 A 16 16 GLY H H 16 6.940 7.658 -0.718 1 1 193 . 15 1 1 A 16 16 GLY HA2 H 16 1.050 3.256 -2.206 1 1 194 . 15 1 1 A 16 16 GLY HA3 H 16 3.010 3.546 -0.536 1 1 195 . 15 1 1 A 16 16 GLY CA C 16 43.700 44.715 -1.015 1 1 196 . 15 1 1 A 16 16 GLY N N 16 109.500 108.643 0.857 1 1 197 . 15 1 1 A 17 17 PRO HA H 17 3.070 2.909 0.161 1 1 204 . 15 1 1 A 17 17 PRO C C 17 172.400 175.146 -2.746 1 1 205 . 15 1 1 A 17 17 PRO CA C 17 60.200 62.352 -2.152 1 1 206 . 15 1 1 A 17 17 PRO CB C 17 28.300 31.264 -2.964 1 1 209 . 15 1 1 A 18 18 GLY H H 18 6.650 7.256 -0.606 1 1 210 . 15 1 1 A 18 18 GLY HA2 H 18 3.630 3.342 0.288 1 1 211 . 15 1 1 A 18 18 GLY HA3 H 18 4.010 3.607 0.403 1 1 212 . 15 1 1 A 18 18 GLY C C 18 173.200 174.561 -1.361 1 1 213 . 15 1 1 A 18 18 GLY CA C 18 46.200 44.285 1.915 1 1 214 . 15 1 1 A 18 18 GLY N N 18 110.400 109.436 0.964 1 1 215 . 15 1 1 A 19 19 SER H H 19 8.960 9.031 -0.071 1 1 216 . 15 1 1 A 19 19 SER HA H 19 4.200 4.392 -0.192 1 1 219 . 15 1 1 A 19 19 SER C C 19 173.600 174.556 -0.956 1 1 220 . 15 1 1 A 19 19 SER CA C 19 60.600 60.880 -0.280 1 1 221 . 15 1 1 A 19 19 SER CB C 19 63.200 63.132 0.068 1 1 222 . 15 1 1 A 19 19 SER N N 19 115.800 119.366 -3.566 1 1 223 . 15 1 1 A 20 20 ASN H H 20 8.720 8.409 0.311 1 1 224 . 15 1 1 A 20 20 ASN HA H 20 4.560 4.936 -0.376 1 1 229 . 15 1 1 A 20 20 ASN C C 20 175.300 175.599 -0.299 1 1 230 . 15 1 1 A 20 20 ASN CA C 20 53.300 52.062 1.238 1 1 231 . 15 1 1 A 20 20 ASN CB C 20 37.300 37.846 -0.546 1 1 233 . 15 1 1 A 20 20 ASN N N 20 115.000 117.281 -2.281 1 1 235 . 15 1 1 A 21 21 TYR H H 21 7.040 7.767 -0.727 1 1 236 . 15 1 1 A 21 21 TYR HA H 21 4.290 4.586 -0.296 1 1 243 . 15 1 1 A 21 21 TYR C C 21 175.700 176.119 -0.419 1 1 244 . 15 1 1 A 21 21 TYR CA C 21 58.800 57.975 0.825 1 1 245 . 15 1 1 A 21 21 TYR CB C 21 39.400 38.765 0.635 1 1 250 . 15 1 1 A 21 21 TYR N N 21 119.200 118.526 0.674 1 1 251 . 15 1 1 A 22 22 GLY H H 22 8.450 7.977 0.473 1 1 252 . 15 1 1 A 22 22 GLY HA2 H 22 3.820 4.086 -0.266 1 1 253 . 15 1 1 A 22 22 GLY HA3 H 22 4.090 4.094 -0.004 1 1 254 . 15 1 1 A 22 22 GLY C C 22 172.700 172.820 -0.120 1 1 255 . 15 1 1 A 22 22 GLY CA C 22 45.300 44.751 0.549 1 1 256 . 15 1 1 A 22 22 GLY N N 22 107.800 108.281 -0.481 1 1 257 . 15 1 1 A 23 23 VAL H H 23 8.470 8.336 0.134 1 1 258 . 15 1 1 A 23 23 VAL HA H 23 4.320 4.952 -0.632 1 1 266 . 15 1 1 A 23 23 VAL C C 23 178.000 176.649 1.351 1 1 267 . 15 1 1 A 23 23 VAL CA C 23 63.700 60.568 3.132 1 1 268 . 15 1 1 A 23 23 VAL CB C 23 32.700 34.120 -1.420 1 1 271 . 15 1 1 A 23 23 VAL N N 23 120.200 119.281 0.919 1 1 272 . 15 1 1 A 24 24 ILE H H 24 9.120 8.604 0.516 1 1 273 . 15 1 1 A 24 24 ILE HA H 24 4.740 4.655 0.085 1 1 283 . 15 1 1 A 24 24 ILE C C 24 175.300 175.688 -0.388 1 1 284 . 15 1 1 A 24 24 ILE CA C 24 60.500 60.789 -0.289 1 1 285 . 15 1 1 A 24 24 ILE CB C 24 39.900 38.898 1.002 1 1 289 . 15 1 1 A 24 24 ILE N N 24 120.900 124.186 -3.286 1 1 290 . 15 1 1 A 25 25 GLY H H 25 7.770 7.538 0.232 1 1 291 . 15 1 1 A 25 25 GLY HA2 H 25 4.130 4.135 -0.005 1 1 292 . 15 1 1 A 25 25 GLY HA3 H 25 4.310 4.150 0.160 1 1 293 . 15 1 1 A 25 25 GLY C C 25 171.100 171.396 -0.296 1 1 294 . 15 1 1 A 25 25 GLY CA C 25 45.500 45.544 -0.044 1 1 295 . 15 1 1 A 25 25 GLY N N 25 109.200 109.309 -0.109 1 1 296 . 15 1 1 A 26 26 THR H H 26 8.440 8.553 -0.113 1 1 297 . 15 1 1 A 26 26 THR HA H 26 5.080 5.077 0.003 1 1 302 . 15 1 1 A 26 26 THR C C 26 173.000 173.757 -0.757 1 1 303 . 15 1 1 A 26 26 THR CA C 26 61.400 61.147 0.253 1 1 304 . 15 1 1 A 26 26 THR CB C 26 72.200 70.765 1.435 1 1 306 . 15 1 1 A 26 26 THR N N 26 113.900 115.338 -1.438 1 1 307 . 15 1 1 A 27 27 LEU H H 27 9.180 9.493 -0.313 1 1 308 . 15 1 1 A 27 27 LEU HA H 27 4.480 4.750 -0.270 1 1 318 . 15 1 1 A 27 27 LEU C C 27 174.900 175.595 -0.695 1 1 319 . 15 1 1 A 27 27 LEU CA C 27 53.400 52.846 0.554 1 1 320 . 15 1 1 A 27 27 LEU CB C 27 45.000 44.341 0.659 1 1 324 . 15 1 1 A 27 27 LEU N N 27 125.600 126.015 -0.415 1 1 325 . 15 1 1 A 28 28 ARG H H 28 9.280 8.644 0.636 1 1 326 . 15 1 1 A 28 28 ARG HA H 28 4.510 4.907 -0.397 1 1 333 . 15 1 1 A 28 28 ARG C C 28 175.300 175.830 -0.530 1 1 334 . 15 1 1 A 28 28 ARG CA C 28 53.300 53.894 -0.594 1 1 335 . 15 1 1 A 28 28 ARG CB C 28 33.100 33.521 -0.421 1 1 338 . 15 1 1 A 28 28 ARG N N 28 120.600 120.109 0.491 1 1 339 . 15 1 1 A 29 29 ASN H H 29 8.360 8.601 -0.241 1 1 340 . 15 1 1 A 29 29 ASN HA H 29 4.070 4.585 -0.515 1 1 345 . 15 1 1 A 29 29 ASN C C 29 176.500 175.445 1.055 1 1 346 . 15 1 1 A 29 29 ASN CA C 29 56.100 53.580 2.520 1 1 347 . 15 1 1 A 29 29 ASN CB C 29 39.300 38.735 0.565 1 1 349 . 15 1 1 A 29 29 ASN N N 29 117.200 119.972 -2.772 1 1 351 . 15 1 1 A 30 30 ASN H H 30 9.290 8.787 0.503 1 1 352 . 15 1 1 A 30 30 ASN HA H 30 4.300 4.334 -0.034 1 1 357 . 15 1 1 A 30 30 ASN C C 30 175.100 174.739 0.361 1 1 358 . 15 1 1 A 30 30 ASN CA C 30 55.500 54.032 1.468 1 1 359 . 15 1 1 A 30 30 ASN CB C 30 37.300 37.673 -0.373 1 1 361 . 15 1 1 A 30 30 ASN N N 30 118.900 118.794 0.106 1 1 363 . 15 1 1 A 31 31 ASP H H 31 8.210 7.929 0.281 1 1 364 . 15 1 1 A 31 31 ASP HA H 31 4.700 4.860 -0.160 1 1 367 . 15 1 1 A 31 31 ASP C C 31 175.300 175.102 0.198 1 1 368 . 15 1 1 A 31 31 ASP CA C 31 56.500 53.656 2.844 1 1 369 . 15 1 1 A 31 31 ASP CB C 31 41.200 41.407 -0.207 1 1 370 . 15 1 1 A 31 31 ASP N N 31 122.300 119.406 2.894 1 1 371 . 15 1 1 A 32 32 LYS H H 32 8.510 8.784 -0.274 1 1 372 . 15 1 1 A 32 32 LYS HA H 32 5.140 4.739 0.401 1 1 381 . 15 1 1 A 32 32 LYS C C 32 176.600 176.282 0.318 1 1 382 . 15 1 1 A 32 32 LYS CA C 32 55.400 56.327 -0.927 1 1 383 . 15 1 1 A 32 32 LYS CB C 32 33.500 32.792 0.708 1 1 387 . 15 1 1 A 32 32 LYS N N 32 121.500 127.124 -5.624 1 1 388 . 15 1 1 A 33 33 VAL H H 33 8.650 8.669 -0.019 1 1 389 . 15 1 1 A 33 33 VAL HA H 33 5.020 4.932 0.088 1 1 397 . 15 1 1 A 33 33 VAL C C 33 174.200 173.869 0.331 1 1 398 . 15 1 1 A 33 33 VAL CA C 33 58.200 58.694 -0.494 1 1 399 . 15 1 1 A 33 33 VAL CB C 33 34.900 35.900 -1.000 1 1 402 . 15 1 1 A 33 33 VAL N N 33 113.500 117.817 -4.317 1 1 403 . 15 1 1 A 34 34 GLU H H 34 8.070 8.694 -0.624 1 1 404 . 15 1 1 A 34 34 GLU HA H 34 4.780 4.888 -0.108 1 1 409 . 15 1 1 A 34 34 GLU C C 34 176.000 175.604 0.396 1 1 410 . 15 1 1 A 34 34 GLU CA C 34 55.000 55.523 -0.523 1 1 411 . 15 1 1 A 34 34 GLU CB C 34 31.400 31.366 0.034 1 1 413 . 15 1 1 A 34 34 GLU N N 34 122.300 122.427 -0.127 1 1 414 . 15 1 1 A 35 35 ILE H H 35 8.610 8.945 -0.335 1 1 415 . 15 1 1 A 35 35 ILE HA H 35 4.100 4.687 -0.587 1 1 425 . 15 1 1 A 35 35 ILE C C 35 175.600 175.479 0.121 1 1 426 . 15 1 1 A 35 35 ILE CA C 35 61.200 60.358 0.842 1 1 427 . 15 1 1 A 35 35 ILE CB C 35 38.800 38.986 -0.186 1 1 431 . 15 1 1 A 35 35 ILE N N 35 125.500 126.533 -1.033 1 1 432 . 15 1 1 A 36 36 ILE H H 36 9.450 8.986 0.464 1 1 433 . 15 1 1 A 36 36 ILE HA H 36 3.990 4.140 -0.150 1 1 443 . 15 1 1 A 36 36 ILE C C 36 176.500 175.880 0.620 1 1 444 . 15 1 1 A 36 36 ILE CA C 36 63.100 62.837 0.263 1 1 445 . 15 1 1 A 36 36 ILE CB C 36 38.800 38.433 0.367 1 1 449 . 15 1 1 A 36 36 ILE N N 36 129.500 128.616 0.884 1 1 450 . 15 1 1 A 37 37 LYS H H 37 7.630 7.508 0.122 1 1 451 . 15 1 1 A 37 37 LYS HA H 37 4.670 4.723 -0.053 1 1 460 . 15 1 1 A 37 37 LYS C C 37 173.100 173.980 -0.880 1 1 461 . 15 1 1 A 37 37 LYS CA C 37 55.700 55.842 -0.142 1 1 462 . 15 1 1 A 37 37 LYS CB C 37 34.700 36.229 -1.529 1 1 466 . 15 1 1 A 37 37 LYS N N 37 113.300 117.452 -4.152 1 1 467 . 15 1 1 A 38 38 GLU H H 38 8.800 8.717 0.083 1 1 468 . 15 1 1 A 38 38 GLU HA H 38 5.360 5.315 0.045 1 1 473 . 15 1 1 A 38 38 GLU C C 38 175.300 175.180 0.120 1 1 474 . 15 1 1 A 38 38 GLU CA C 38 55.400 54.788 0.612 1 1 475 . 15 1 1 A 38 38 GLU CB C 38 32.500 32.416 0.084 1 1 477 . 15 1 1 A 38 38 GLU N N 38 122.000 122.263 -0.263 1 1 478 . 15 1 1 A 39 39 VAL H H 39 9.550 8.951 0.599 1 1 479 . 15 1 1 A 39 39 VAL HA H 39 4.360 4.563 -0.203 1 1 487 . 15 1 1 A 39 39 VAL C C 39 174.500 175.810 -1.310 1 1 488 . 15 1 1 A 39 39 VAL CA C 39 61.600 61.276 0.324 1 1 489 . 15 1 1 A 39 39 VAL CB C 39 34.400 34.536 -0.136 1 1 492 . 15 1 1 A 39 39 VAL N N 39 126.000 121.816 4.184 1 1 493 . 15 1 1 A 40 40 ASP H H 40 8.960 9.455 -0.495 1 1 494 . 15 1 1 A 40 40 ASP HA H 40 4.340 4.389 -0.049 1 1 497 . 15 1 1 A 40 40 ASP C C 40 175.800 176.447 -0.647 1 1 498 . 15 1 1 A 40 40 ASP CA C 40 55.900 55.640 0.260 1 1 499 . 15 1 1 A 40 40 ASP CB C 40 40.700 39.522 1.178 1 1 500 . 15 1 1 A 40 40 ASP N N 40 125.700 129.138 -3.438 1 1 501 . 15 1 1 A 41 41 GLY H H 41 8.870 8.571 0.299 1 1 502 . 15 1 1 A 41 41 GLY HA2 H 41 3.510 3.652 -0.142 1 1 503 . 15 1 1 A 41 41 GLY HA3 H 41 4.190 3.732 0.458 1 1 504 . 15 1 1 A 41 41 GLY C C 41 173.900 173.862 0.038 1 1 505 . 15 1 1 A 41 41 GLY CA C 41 45.700 45.786 -0.086 1 1 506 . 15 1 1 A 41 41 GLY N N 41 105.500 104.264 1.236 1 1 507 . 15 1 1 A 42 42 TRP H H 42 8.580 7.705 0.875 1 1 508 . 15 1 1 A 42 42 TRP HA H 42 4.700 5.011 -0.311 1 1 517 . 15 1 1 A 42 42 TRP C C 42 175.300 175.348 -0.048 1 1 518 . 15 1 1 A 42 42 TRP CA C 42 56.300 56.250 0.050 1 1 519 . 15 1 1 A 42 42 TRP CB C 42 31.300 30.596 0.704 1 1 525 . 15 1 1 A 42 42 TRP N N 42 122.900 119.486 3.414 1 1 527 . 15 1 1 A 43 43 TYR H H 43 9.400 8.882 0.518 1 1 528 . 15 1 1 A 43 43 TYR HA H 43 5.630 4.709 0.921 1 1 535 . 15 1 1 A 43 43 TYR C C 43 175.800 175.790 0.010 1 1 536 . 15 1 1 A 43 43 TYR CA C 43 55.900 59.325 -3.425 1 1 537 . 15 1 1 A 43 43 TYR CB C 43 40.200 39.246 0.954 1 1 542 . 15 1 1 A 43 43 TYR N N 43 119.000 124.295 -5.295 1 1 543 . 15 1 1 A 44 44 GLU H H 44 9.110 8.464 0.646 1 1 544 . 15 1 1 A 44 44 GLU HA H 44 4.040 4.689 -0.649 1 1 549 . 15 1 1 A 44 44 GLU C C 44 175.500 176.424 -0.924 1 1 550 . 15 1 1 A 44 44 GLU CA C 44 55.500 56.614 -1.114 1 1 551 . 15 1 1 A 44 44 GLU CB C 44 31.200 31.002 0.198 1 1 553 . 15 1 1 A 44 44 GLU N N 44 125.600 122.332 3.268 1 1 554 . 15 1 1 A 45 45 ILE H H 45 9.300 8.617 0.683 1 1 555 . 15 1 1 A 45 45 ILE HA H 45 5.550 5.218 0.332 1 1 565 . 15 1 1 A 45 45 ILE C C 45 173.700 173.563 0.137 1 1 566 . 15 1 1 A 45 45 ILE CA C 45 58.300 58.573 -0.273 1 1 567 . 15 1 1 A 45 45 ILE CB C 45 43.200 42.333 0.867 1 1 571 . 15 1 1 A 45 45 ILE N N 45 122.700 119.145 3.555 1 1 572 . 15 1 1 A 46 46 ARG H H 46 8.730 8.512 0.218 1 1 573 . 15 1 1 A 46 46 ARG HA H 46 5.310 5.388 -0.078 1 1 580 . 15 1 1 A 46 46 ARG C C 46 176.400 175.100 1.300 1 1 581 . 15 1 1 A 46 46 ARG CA C 46 54.400 54.512 -0.112 1 1 582 . 15 1 1 A 46 46 ARG CB C 46 33.600 33.240 0.360 1 1 585 . 15 1 1 A 46 46 ARG N N 46 118.900 123.070 -4.170 1 1 586 . 15 1 1 A 47 47 PHE H H 47 9.080 9.601 -0.521 1 1 587 . 15 1 1 A 47 47 PHE HA H 47 4.850 4.821 0.029 1 1 595 . 15 1 1 A 47 47 PHE C C 47 174.500 174.690 -0.190 1 1 596 . 15 1 1 A 47 47 PHE CA C 47 57.300 57.773 -0.473 1 1 597 . 15 1 1 A 47 47 PHE CB C 47 42.500 42.996 -0.496 1 1 603 . 15 1 1 A 47 47 PHE N N 47 126.500 126.956 -0.456 1 1 604 . 15 1 1 A 48 48 ASN H H 48 9.140 8.776 0.364 1 1 605 . 15 1 1 A 48 48 ASN HA H 48 4.080 4.106 -0.026 1 1 610 . 15 1 1 A 48 48 ASN C C 48 175.100 174.665 0.435 1 1 611 . 15 1 1 A 48 48 ASN CA C 48 53.500 53.753 -0.253 1 1 612 . 15 1 1 A 48 48 ASN CB C 48 37.100 37.200 -0.100 1 1 614 . 15 1 1 A 48 48 ASN N N 48 128.500 125.303 3.197 1 1 616 . 15 1 1 A 49 49 GLY H H 49 8.600 8.545 0.055 1 1 617 . 15 1 1 A 49 49 GLY HA2 H 49 3.510 3.830 -0.320 1 1 618 . 15 1 1 A 49 49 GLY HA3 H 49 4.110 3.835 0.275 1 1 619 . 15 1 1 A 49 49 GLY C C 49 173.600 173.748 -0.148 1 1 620 . 15 1 1 A 49 49 GLY CA C 49 45.600 45.927 -0.327 1 1 621 . 15 1 1 A 49 49 GLY N N 49 103.100 103.915 -0.815 1 1 622 . 15 1 1 A 50 50 LYS H H 50 7.850 7.884 -0.034 1 1 623 . 15 1 1 A 50 50 LYS HA H 50 4.620 4.944 -0.324 1 1 632 . 15 1 1 A 50 50 LYS C C 50 174.600 175.014 -0.414 1 1 633 . 15 1 1 A 50 50 LYS CA C 50 54.900 54.245 0.655 1 1 634 . 15 1 1 A 50 50 LYS CB C 50 35.100 35.588 -0.488 1 1 638 . 15 1 1 A 50 50 LYS N N 50 121.700 119.984 1.716 1 1 639 . 15 1 1 A 51 51 VAL H H 51 8.120 8.633 -0.513 1 1 640 . 15 1 1 A 51 51 VAL HA H 51 5.100 5.204 -0.104 1 1 648 . 15 1 1 A 51 51 VAL C C 51 176.100 175.613 0.487 1 1 649 . 15 1 1 A 51 51 VAL CA C 51 60.700 60.265 0.435 1 1 650 . 15 1 1 A 51 51 VAL CB C 51 33.400 34.220 -0.820 1 1 653 . 15 1 1 A 51 51 VAL N N 51 122.100 122.731 -0.631 1 1 654 . 15 1 1 A 52 52 GLY H H 52 8.430 8.348 0.082 1 1 655 . 15 1 1 A 52 52 GLY HA2 H 52 3.760 4.357 -0.597 1 1 656 . 15 1 1 A 52 52 GLY HA3 H 52 4.230 4.406 -0.176 1 1 657 . 15 1 1 A 52 52 GLY C C 52 170.300 171.760 -1.460 1 1 658 . 15 1 1 A 52 52 GLY CA C 52 45.600 45.643 -0.043 1 1 659 . 15 1 1 A 52 52 GLY N N 52 113.100 112.994 0.106 1 1 660 . 15 1 1 A 53 53 TYR H H 53 9.260 9.174 0.086 1 1 661 . 15 1 1 A 53 53 TYR HA H 53 5.990 5.666 0.324 1 1 668 . 15 1 1 A 53 53 TYR C C 53 175.700 175.337 0.363 1 1 669 . 15 1 1 A 53 53 TYR CA C 53 56.800 56.738 0.062 1 1 670 . 15 1 1 A 53 53 TYR CB C 53 42.800 43.391 -0.591 1 1 675 . 15 1 1 A 53 53 TYR N N 53 118.000 119.316 -1.316 1 1 676 . 15 1 1 A 54 54 ALA H H 54 9.210 8.441 0.769 1 1 677 . 15 1 1 A 54 54 ALA HA H 54 5.280 5.223 0.057 1 1 681 . 15 1 1 A 54 54 ALA C C 54 175.800 175.619 0.181 1 1 682 . 15 1 1 A 54 54 ALA CA C 54 50.900 51.301 -0.401 1 1 683 . 15 1 1 A 54 54 ALA CB C 54 23.800 23.350 0.450 1 1 684 . 15 1 1 A 54 54 ALA N N 54 122.000 122.830 -0.830 1 1 685 . 15 1 1 A 55 55 SER H H 55 8.620 8.751 -0.131 1 1 686 . 15 1 1 A 55 55 SER HA H 55 3.270 3.631 -0.361 1 1 689 . 15 1 1 A 55 55 SER C C 55 175.400 175.761 -0.361 1 1 690 . 15 1 1 A 55 55 SER CA C 55 59.100 58.051 1.049 1 1 691 . 15 1 1 A 55 55 SER CB C 55 63.200 63.103 0.097 1 1 692 . 15 1 1 A 55 55 SER N N 55 117.400 115.077 2.323 1 1 693 . 15 1 1 A 56 56 LYS H H 56 7.630 8.333 -0.703 1 1 694 . 15 1 1 A 56 56 LYS HA H 56 3.750 4.125 -0.375 1 1 703 . 15 1 1 A 56 56 LYS C C 56 177.100 178.499 -1.399 1 1 704 . 15 1 1 A 56 56 LYS CA C 56 58.600 58.630 -0.030 1 1 705 . 15 1 1 A 56 56 LYS CB C 56 32.300 31.998 0.302 1 1 709 . 15 1 1 A 56 56 LYS N N 56 124.500 124.862 -0.362 1 1 710 . 15 1 1 A 57 57 SER H H 57 7.670 7.599 0.071 1 1 711 . 15 1 1 A 57 57 SER HA H 57 3.930 3.964 -0.034 1 1 714 . 15 1 1 A 57 57 SER C C 57 174.100 174.921 -0.821 1 1 715 . 15 1 1 A 57 57 SER CA C 57 60.700 62.117 -1.417 1 1 716 . 15 1 1 A 57 57 SER CB C 57 62.800 62.931 -0.131 1 1 717 . 15 1 1 A 57 57 SER N N 57 112.000 117.795 -5.795 1 1 718 . 15 1 1 A 58 58 TYR H H 58 6.990 7.173 -0.183 1 1 719 . 15 1 1 A 58 58 TYR HA H 58 4.800 4.708 0.092 1 1 726 . 15 1 1 A 58 58 TYR C C 58 173.300 174.569 -1.269 1 1 727 . 15 1 1 A 58 58 TYR CA C 58 57.400 57.077 0.323 1 1 728 . 15 1 1 A 58 58 TYR CB C 58 40.500 38.264 2.236 1 1 733 . 15 1 1 A 58 58 TYR N N 58 116.100 116.624 -0.524 1 1 734 . 15 1 1 A 59 59 ILE H H 59 7.300 7.228 0.072 1 1 735 . 15 1 1 A 59 59 ILE HA H 59 4.790 4.733 0.057 1 1 745 . 15 1 1 A 59 59 ILE C C 59 174.500 174.772 -0.272 1 1 746 . 15 1 1 A 59 59 ILE CA C 59 59.300 60.101 -0.801 1 1 747 . 15 1 1 A 59 59 ILE CB C 59 40.800 40.047 0.753 1 1 751 . 15 1 1 A 59 59 ILE N N 59 119.000 120.427 -1.427 1 1 752 . 15 1 1 A 60 60 THR H H 60 8.980 8.957 0.023 1 1 753 . 15 1 1 A 60 60 THR HA H 60 4.580 5.326 -0.746 1 1 758 . 15 1 1 A 60 60 THR C C 60 173.800 173.317 0.483 1 1 759 . 15 1 1 A 60 60 THR CA C 60 60.800 60.386 0.414 1 1 760 . 15 1 1 A 60 60 THR CB C 60 71.100 71.205 -0.105 1 1 762 . 15 1 1 A 60 60 THR N N 60 123.600 119.268 4.332 1 1 763 . 15 1 1 A 61 61 ILE H H 61 8.680 8.581 0.099 1 1 764 . 15 1 1 A 61 61 ILE HA H 61 4.180 4.232 -0.052 1 1 774 . 15 1 1 A 61 61 ILE C C 61 176.400 175.844 0.556 1 1 775 . 15 1 1 A 61 61 ILE CA C 61 61.800 60.640 1.160 1 1 776 . 15 1 1 A 61 61 ILE CB C 61 37.900 37.679 0.221 1 1 780 . 15 1 1 A 61 61 ILE N N 61 127.200 125.781 1.419 1 1 781 . 15 1 1 A 62 62 VAL H H 62 8.370 8.616 -0.246 1 1 782 . 15 1 1 A 62 62 VAL HA H 62 4.140 4.118 0.022 1 1 790 . 15 1 1 A 62 62 VAL C C 62 175.200 176.386 -1.186 1 1 791 . 15 1 1 A 62 62 VAL CA C 62 61.800 62.181 -0.381 1 1 792 . 15 1 1 A 62 62 VAL CB C 62 33.200 32.187 1.013 1 1 795 . 15 1 1 A 62 62 VAL N N 62 126.600 127.343 -0.743 1 1 796 . 15 1 1 A 63 63 ASN H H 63 8.590 9.383 -0.793 1 1 797 . 15 1 1 A 63 63 ASN HA H 63 4.730 4.476 0.254 1 1 802 . 15 1 1 A 63 63 ASN C C 63 175.200 174.984 0.216 1 1 803 . 15 1 1 A 63 63 ASN CA C 63 53.200 55.273 -2.073 1 1 804 . 15 1 1 A 63 63 ASN CB C 63 39.100 37.124 1.976 1 1 806 . 15 1 1 A 63 63 ASN N N 63 123.500 123.081 0.419 1 1 808 . 15 1 1 A 64 64 GLU H H 64 8.620 9.050 -0.430 1 1 809 . 15 1 1 A 64 64 GLU HA H 64 4.250 4.045 0.205 1 1 814 . 15 1 1 A 64 64 GLU C C 64 177.000 176.400 0.600 1 1 815 . 15 1 1 A 64 64 GLU CA C 64 57.100 57.681 -0.581 1 1 816 . 15 1 1 A 64 64 GLU CB C 64 30.400 28.055 2.345 1 1 818 . 15 1 1 A 64 64 GLU N N 64 122.700 116.767 5.933 1 1 819 . 15 1 1 A 65 65 GLY H H 65 8.490 8.202 0.288 1 1 820 . 15 1 1 A 65 65 GLY HA2 H 65 3.980 4.106 -0.126 1 1 821 . 15 1 1 A 65 65 GLY HA3 H 65 3.980 4.113 -0.133 1 1 822 . 15 1 1 A 65 65 GLY C C 65 174.300 174.753 -0.453 1 1 823 . 15 1 1 A 65 65 GLY CA C 65 45.500 45.352 0.148 1 1 824 . 15 1 1 A 65 65 GLY N N 65 109.600 106.940 2.660 1 1 825 . 15 1 1 A 66 66 SER H H 66 8.180 8.292 -0.112 1 1 826 . 15 1 1 A 66 66 SER HA H 66 4.450 4.430 0.020 1 1 829 . 15 1 1 A 66 66 SER C C 66 174.900 174.409 0.491 1 1 830 . 15 1 1 A 66 66 SER CA C 66 58.300 58.973 -0.673 1 1 831 . 15 1 1 A 66 66 SER CB C 66 63.700 63.629 0.071 1 1 832 . 15 1 1 A 66 66 SER N N 66 115.500 116.636 -1.136 1 1 833 . 15 1 1 A 67 67 LEU H H 67 8.300 7.549 0.751 1 1 834 . 15 1 1 A 67 67 LEU HA H 67 4.300 4.270 0.030 1 1 844 . 15 1 1 A 67 67 LEU C C 67 177.500 176.181 1.319 1 1 845 . 15 1 1 A 67 67 LEU CA C 67 55.400 54.987 0.413 1 1 846 . 15 1 1 A 67 67 LEU CB C 67 42.200 42.562 -0.362 1 1 850 . 15 1 1 A 67 67 LEU N N 67 123.800 123.836 -0.036 1 1 851 . 15 1 1 A 68 68 GLU H H 68 8.270 8.901 -0.631 1 1 852 . 15 1 1 A 68 68 GLU HA H 68 4.160 4.739 -0.579 1 1 857 . 15 1 1 A 68 68 GLU CA C 68 56.900 55.580 1.320 1 1 858 . 15 1 1 A 68 68 GLU CB C 68 30.100 30.492 -0.392 1 1 860 . 15 1 1 A 68 68 GLU N N 68 120.700 124.989 -4.289 1 1 861 . 15 1 1 A 69 69 HIS C C 69 173.900 175.398 -1.498 1 1 862 . 15 1 1 A 70 70 HIS H H 70 8.140 8.034 0.106 1 1 863 . 15 1 1 A 70 70 HIS CA C 70 57.200 59.630 -2.430 1 1 864 . 15 1 1 A 70 70 HIS CB C 70 30.200 30.191 0.009 1 1 14 . 16 1 1 A 2 2 GLN H H 2 9.330 9.044 0.286 1 1 15 . 16 1 1 A 2 2 GLN HA H 2 5.000 5.098 -0.098 1 1 22 . 16 1 1 A 2 2 GLN C C 2 174.500 175.353 -0.853 1 1 23 . 16 1 1 A 2 2 GLN CA C 2 55.500 54.242 1.258 1 1 24 . 16 1 1 A 2 2 GLN CB C 2 31.700 31.607 0.093 1 1 26 . 16 1 1 A 2 2 GLN N N 2 125.400 125.364 0.036 1 1 28 . 16 1 1 A 3 3 GLY H H 3 8.860 8.884 -0.024 1 1 29 . 16 1 1 A 3 3 GLY HA2 H 3 3.070 4.137 -1.067 1 1 30 . 16 1 1 A 3 3 GLY HA3 H 3 5.250 4.139 1.111 1 1 31 . 16 1 1 A 3 3 GLY C C 3 171.800 172.183 -0.383 1 1 32 . 16 1 1 A 3 3 GLY CA C 3 44.300 44.197 0.103 1 1 33 . 16 1 1 A 3 3 GLY N N 3 108.200 113.438 -5.238 1 1 34 . 16 1 1 A 4 4 VAL H H 4 9.060 8.747 0.313 1 1 35 . 16 1 1 A 4 4 VAL HA H 4 5.080 4.862 0.218 1 1 43 . 16 1 1 A 4 4 VAL C C 4 174.500 174.747 -0.247 1 1 44 . 16 1 1 A 4 4 VAL CA C 4 59.800 60.499 -0.699 1 1 45 . 16 1 1 A 4 4 VAL CB C 4 35.300 34.803 0.497 1 1 48 . 16 1 1 A 4 4 VAL N N 4 120.200 122.810 -2.610 1 1 49 . 16 1 1 A 5 5 VAL H H 5 8.750 8.656 0.094 1 1 50 . 16 1 1 A 5 5 VAL HA H 5 4.190 4.412 -0.222 1 1 58 . 16 1 1 A 5 5 VAL C C 5 175.800 175.267 0.533 1 1 59 . 16 1 1 A 5 5 VAL CA C 5 62.800 62.060 0.740 1 1 60 . 16 1 1 A 5 5 VAL CB C 5 31.900 32.074 -0.174 1 1 63 . 16 1 1 A 5 5 VAL N N 5 128.600 128.149 0.451 1 1 64 . 16 1 1 A 6 6 LYS H H 6 8.830 8.354 0.476 1 1 65 . 16 1 1 A 6 6 LYS HA H 6 5.250 5.170 0.080 1 1 74 . 16 1 1 A 6 6 LYS C C 6 174.800 175.152 -0.352 1 1 75 . 16 1 1 A 6 6 LYS CA C 6 54.300 55.161 -0.861 1 1 76 . 16 1 1 A 6 6 LYS CB C 6 33.200 33.959 -0.759 1 1 80 . 16 1 1 A 6 6 LYS N N 6 131.400 127.475 3.925 1 1 81 . 16 1 1 A 7 7 VAL H H 7 8.270 8.590 -0.320 1 1 82 . 16 1 1 A 7 7 VAL HA H 7 4.640 4.793 -0.153 1 1 90 . 16 1 1 A 7 7 VAL C C 7 173.400 175.793 -2.393 1 1 91 . 16 1 1 A 7 7 VAL CA C 7 59.700 60.263 -0.563 1 1 92 . 16 1 1 A 7 7 VAL CB C 7 35.400 35.118 0.282 1 1 95 . 16 1 1 A 7 7 VAL N N 7 119.000 122.827 -3.827 1 1 96 . 16 1 1 A 8 8 ASN H H 8 8.560 8.831 -0.271 1 1 97 . 16 1 1 A 8 8 ASN HA H 8 4.690 4.581 0.109 1 1 102 . 16 1 1 A 8 8 ASN C C 8 175.600 174.884 0.716 1 1 103 . 16 1 1 A 8 8 ASN CA C 8 54.500 55.868 -1.368 1 1 104 . 16 1 1 A 8 8 ASN CB C 8 38.700 38.956 -0.256 1 1 106 . 16 1 1 A 8 8 ASN N N 8 120.700 125.564 -4.864 1 1 108 . 16 1 1 A 9 9 SER H H 9 7.630 7.901 -0.271 1 1 109 . 16 1 1 A 9 9 SER HA H 9 4.450 4.660 -0.210 1 1 112 . 16 1 1 A 9 9 SER C C 9 172.800 173.926 -1.126 1 1 113 . 16 1 1 A 9 9 SER CA C 9 58.100 57.827 0.273 1 1 114 . 16 1 1 A 9 9 SER CB C 9 63.500 64.862 -1.362 1 1 115 . 16 1 1 A 9 9 SER N N 9 112.800 114.236 -1.436 1 1 116 . 16 1 1 A 10 10 ALA H H 10 8.330 8.235 0.095 1 1 117 . 16 1 1 A 10 10 ALA HA H 10 4.530 4.342 0.188 1 1 121 . 16 1 1 A 10 10 ALA C C 10 175.300 176.782 -1.482 1 1 122 . 16 1 1 A 10 10 ALA CA C 10 52.400 52.645 -0.245 1 1 123 . 16 1 1 A 10 10 ALA CB C 10 20.900 19.274 1.626 1 1 124 . 16 1 1 A 10 10 ALA N N 10 123.900 126.672 -2.772 1 1 125 . 16 1 1 A 11 11 LEU H H 11 8.930 8.338 0.592 1 1 126 . 16 1 1 A 11 11 LEU HA H 11 4.530 4.951 -0.421 1 1 136 . 16 1 1 A 11 11 LEU C C 11 175.300 176.088 -0.788 1 1 137 . 16 1 1 A 11 11 LEU CA C 11 52.600 53.261 -0.661 1 1 138 . 16 1 1 A 11 11 LEU CB C 11 45.900 45.461 0.439 1 1 142 . 16 1 1 A 11 11 LEU N N 11 123.600 123.819 -0.219 1 1 143 . 16 1 1 A 12 12 ASN H H 12 8.800 8.868 -0.068 1 1 144 . 16 1 1 A 12 12 ASN HA H 12 5.030 4.720 0.310 1 1 149 . 16 1 1 A 12 12 ASN C C 12 174.000 174.830 -0.830 1 1 150 . 16 1 1 A 12 12 ASN CA C 12 53.800 53.230 0.570 1 1 151 . 16 1 1 A 12 12 ASN CB C 12 39.500 38.671 0.829 1 1 153 . 16 1 1 A 12 12 ASN N N 12 123.600 124.024 -0.424 1 1 155 . 16 1 1 A 13 13 MET H H 13 8.630 8.807 -0.177 1 1 156 . 16 1 1 A 13 13 MET HA H 13 4.970 5.123 -0.153 1 1 164 . 16 1 1 A 13 13 MET C C 13 176.000 175.228 0.772 1 1 165 . 16 1 1 A 13 13 MET CA C 13 54.900 54.118 0.782 1 1 166 . 16 1 1 A 13 13 MET CB C 13 35.200 35.009 0.191 1 1 169 . 16 1 1 A 13 13 MET N N 13 122.600 122.683 -0.083 1 1 170 . 16 1 1 A 14 14 ARG H H 14 9.730 9.151 0.579 1 1 171 . 16 1 1 A 14 14 ARG HA H 14 5.760 4.578 1.182 1 1 178 . 16 1 1 A 14 14 ARG C C 14 177.700 177.454 0.246 1 1 179 . 16 1 1 A 14 14 ARG CA C 14 54.900 55.095 -0.195 1 1 180 . 16 1 1 A 14 14 ARG CB C 14 34.600 31.701 2.899 1 1 183 . 16 1 1 A 14 14 ARG N N 14 125.200 124.499 0.701 1 1 184 . 16 1 1 A 15 15 SER H H 15 9.010 9.024 -0.014 1 1 185 . 16 1 1 A 15 15 SER HA H 15 4.580 4.589 -0.009 1 1 188 . 16 1 1 A 15 15 SER C C 15 173.100 174.636 -1.536 1 1 189 . 16 1 1 A 15 15 SER CA C 15 59.100 59.172 -0.072 1 1 190 . 16 1 1 A 15 15 SER CB C 15 63.600 64.005 -0.405 1 1 191 . 16 1 1 A 15 15 SER N N 15 113.600 115.060 -1.460 1 1 192 . 16 1 1 A 16 16 GLY H H 16 6.940 7.436 -0.496 1 1 193 . 16 1 1 A 16 16 GLY HA2 H 16 1.050 3.357 -2.307 1 1 194 . 16 1 1 A 16 16 GLY HA3 H 16 3.010 3.367 -0.357 1 1 195 . 16 1 1 A 16 16 GLY CA C 16 43.700 44.661 -0.961 1 1 196 . 16 1 1 A 16 16 GLY N N 16 109.500 108.460 1.040 1 1 197 . 16 1 1 A 17 17 PRO HA H 17 3.070 3.969 -0.899 1 1 204 . 16 1 1 A 17 17 PRO C C 17 172.400 175.121 -2.721 1 1 205 . 16 1 1 A 17 17 PRO CA C 17 60.200 61.553 -1.353 1 1 206 . 16 1 1 A 17 17 PRO CB C 17 28.300 28.980 -0.680 1 1 209 . 16 1 1 A 18 18 GLY H H 18 6.650 6.960 -0.310 1 1 210 . 16 1 1 A 18 18 GLY HA2 H 18 3.630 3.839 -0.209 1 1 211 . 16 1 1 A 18 18 GLY HA3 H 18 4.010 4.100 -0.090 1 1 212 . 16 1 1 A 18 18 GLY C C 18 173.200 174.645 -1.445 1 1 213 . 16 1 1 A 18 18 GLY CA C 18 46.200 45.418 0.782 1 1 214 . 16 1 1 A 18 18 GLY N N 18 110.400 109.586 0.814 1 1 215 . 16 1 1 A 19 19 SER H H 19 8.960 8.996 -0.036 1 1 216 . 16 1 1 A 19 19 SER HA H 19 4.200 4.365 -0.165 1 1 219 . 16 1 1 A 19 19 SER C C 19 173.600 175.077 -1.477 1 1 220 . 16 1 1 A 19 19 SER CA C 19 60.600 59.987 0.613 1 1 221 . 16 1 1 A 19 19 SER CB C 19 63.200 63.090 0.110 1 1 222 . 16 1 1 A 19 19 SER N N 19 115.800 117.573 -1.773 1 1 223 . 16 1 1 A 20 20 ASN H H 20 8.720 8.101 0.619 1 1 224 . 16 1 1 A 20 20 ASN HA H 20 4.560 4.762 -0.202 1 1 229 . 16 1 1 A 20 20 ASN C C 20 175.300 175.958 -0.658 1 1 230 . 16 1 1 A 20 20 ASN CA C 20 53.300 53.574 -0.274 1 1 231 . 16 1 1 A 20 20 ASN CB C 20 37.300 39.036 -1.736 1 1 233 . 16 1 1 A 20 20 ASN N N 20 115.000 117.816 -2.816 1 1 235 . 16 1 1 A 21 21 TYR H H 21 7.040 7.817 -0.777 1 1 236 . 16 1 1 A 21 21 TYR HA H 21 4.290 4.584 -0.294 1 1 243 . 16 1 1 A 21 21 TYR C C 21 175.700 176.131 -0.431 1 1 244 . 16 1 1 A 21 21 TYR CA C 21 58.800 58.010 0.790 1 1 245 . 16 1 1 A 21 21 TYR CB C 21 39.400 38.770 0.630 1 1 250 . 16 1 1 A 21 21 TYR N N 21 119.200 117.157 2.043 1 1 251 . 16 1 1 A 22 22 GLY H H 22 8.450 7.988 0.462 1 1 252 . 16 1 1 A 22 22 GLY HA2 H 22 3.820 4.122 -0.302 1 1 253 . 16 1 1 A 22 22 GLY HA3 H 22 4.090 4.123 -0.033 1 1 254 . 16 1 1 A 22 22 GLY C C 22 172.700 172.850 -0.150 1 1 255 . 16 1 1 A 22 22 GLY CA C 22 45.300 44.956 0.344 1 1 256 . 16 1 1 A 22 22 GLY N N 22 107.800 108.383 -0.583 1 1 257 . 16 1 1 A 23 23 VAL H H 23 8.470 8.269 0.201 1 1 258 . 16 1 1 A 23 23 VAL HA H 23 4.320 5.103 -0.783 1 1 266 . 16 1 1 A 23 23 VAL C C 23 178.000 176.455 1.545 1 1 267 . 16 1 1 A 23 23 VAL CA C 23 63.700 59.813 3.887 1 1 268 . 16 1 1 A 23 23 VAL CB C 23 32.700 34.374 -1.674 1 1 271 . 16 1 1 A 23 23 VAL N N 23 120.200 118.949 1.251 1 1 272 . 16 1 1 A 24 24 ILE H H 24 9.120 8.563 0.557 1 1 273 . 16 1 1 A 24 24 ILE HA H 24 4.740 4.690 0.050 1 1 283 . 16 1 1 A 24 24 ILE C C 24 175.300 175.685 -0.385 1 1 284 . 16 1 1 A 24 24 ILE CA C 24 60.500 60.754 -0.254 1 1 285 . 16 1 1 A 24 24 ILE CB C 24 39.900 39.087 0.813 1 1 289 . 16 1 1 A 24 24 ILE N N 24 120.900 124.024 -3.124 1 1 290 . 16 1 1 A 25 25 GLY H H 25 7.770 7.544 0.226 1 1 291 . 16 1 1 A 25 25 GLY HA2 H 25 4.130 4.108 0.022 1 1 292 . 16 1 1 A 25 25 GLY HA3 H 25 4.310 4.114 0.196 1 1 293 . 16 1 1 A 25 25 GLY C C 25 171.100 171.315 -0.215 1 1 294 . 16 1 1 A 25 25 GLY CA C 25 45.500 45.784 -0.284 1 1 295 . 16 1 1 A 25 25 GLY N N 25 109.200 109.166 0.034 1 1 296 . 16 1 1 A 26 26 THR H H 26 8.440 8.429 0.011 1 1 297 . 16 1 1 A 26 26 THR HA H 26 5.080 5.276 -0.196 1 1 302 . 16 1 1 A 26 26 THR C C 26 173.000 173.495 -0.495 1 1 303 . 16 1 1 A 26 26 THR CA C 26 61.400 59.617 1.783 1 1 304 . 16 1 1 A 26 26 THR CB C 26 72.200 71.984 0.216 1 1 306 . 16 1 1 A 26 26 THR N N 26 113.900 111.747 2.153 1 1 307 . 16 1 1 A 27 27 LEU H H 27 9.180 8.715 0.465 1 1 308 . 16 1 1 A 27 27 LEU HA H 27 4.480 4.933 -0.453 1 1 318 . 16 1 1 A 27 27 LEU C C 27 174.900 175.708 -0.808 1 1 319 . 16 1 1 A 27 27 LEU CA C 27 53.400 53.494 -0.094 1 1 320 . 16 1 1 A 27 27 LEU CB C 27 45.000 45.364 -0.364 1 1 324 . 16 1 1 A 27 27 LEU N N 27 125.600 123.088 2.512 1 1 325 . 16 1 1 A 28 28 ARG H H 28 9.280 8.875 0.405 1 1 326 . 16 1 1 A 28 28 ARG HA H 28 4.510 4.916 -0.406 1 1 333 . 16 1 1 A 28 28 ARG C C 28 175.300 175.431 -0.131 1 1 334 . 16 1 1 A 28 28 ARG CA C 28 53.300 53.792 -0.492 1 1 335 . 16 1 1 A 28 28 ARG CB C 28 33.100 33.572 -0.472 1 1 338 . 16 1 1 A 28 28 ARG N N 28 120.600 121.528 -0.928 1 1 339 . 16 1 1 A 29 29 ASN H H 29 8.360 8.676 -0.316 1 1 340 . 16 1 1 A 29 29 ASN HA H 29 4.070 4.282 -0.212 1 1 345 . 16 1 1 A 29 29 ASN C C 29 176.500 176.210 0.290 1 1 346 . 16 1 1 A 29 29 ASN CA C 29 56.100 54.398 1.702 1 1 347 . 16 1 1 A 29 29 ASN CB C 29 39.300 38.481 0.819 1 1 349 . 16 1 1 A 29 29 ASN N N 29 117.200 120.317 -3.117 1 1 351 . 16 1 1 A 30 30 ASN H H 30 9.290 8.853 0.437 1 1 352 . 16 1 1 A 30 30 ASN HA H 30 4.300 4.279 0.021 1 1 357 . 16 1 1 A 30 30 ASN C C 30 175.100 173.425 1.675 1 1 358 . 16 1 1 A 30 30 ASN CA C 30 55.500 54.336 1.164 1 1 359 . 16 1 1 A 30 30 ASN CB C 30 37.300 37.111 0.189 1 1 361 . 16 1 1 A 30 30 ASN N N 30 118.900 118.830 0.070 1 1 363 . 16 1 1 A 31 31 ASP H H 31 8.210 7.457 0.753 1 1 364 . 16 1 1 A 31 31 ASP HA H 31 4.700 4.799 -0.099 1 1 367 . 16 1 1 A 31 31 ASP C C 31 175.300 175.648 -0.348 1 1 368 . 16 1 1 A 31 31 ASP CA C 31 56.500 53.702 2.798 1 1 369 . 16 1 1 A 31 31 ASP CB C 31 41.200 41.190 0.010 1 1 370 . 16 1 1 A 31 31 ASP N N 31 122.300 118.742 3.558 1 1 371 . 16 1 1 A 32 32 LYS H H 32 8.510 8.630 -0.120 1 1 372 . 16 1 1 A 32 32 LYS HA H 32 5.140 4.624 0.516 1 1 381 . 16 1 1 A 32 32 LYS C C 32 176.600 176.320 0.280 1 1 382 . 16 1 1 A 32 32 LYS CA C 32 55.400 56.270 -0.870 1 1 383 . 16 1 1 A 32 32 LYS CB C 32 33.500 32.923 0.577 1 1 387 . 16 1 1 A 32 32 LYS N N 32 121.500 127.202 -5.702 1 1 388 . 16 1 1 A 33 33 VAL H H 33 8.650 8.649 0.001 1 1 389 . 16 1 1 A 33 33 VAL HA H 33 5.020 4.929 0.091 1 1 397 . 16 1 1 A 33 33 VAL C C 33 174.200 174.125 0.075 1 1 398 . 16 1 1 A 33 33 VAL CA C 33 58.200 58.830 -0.630 1 1 399 . 16 1 1 A 33 33 VAL CB C 33 34.900 36.040 -1.140 1 1 402 . 16 1 1 A 33 33 VAL N N 33 113.500 117.843 -4.343 1 1 403 . 16 1 1 A 34 34 GLU H H 34 8.070 8.696 -0.626 1 1 404 . 16 1 1 A 34 34 GLU HA H 34 4.780 4.990 -0.210 1 1 409 . 16 1 1 A 34 34 GLU C C 34 176.000 175.480 0.520 1 1 410 . 16 1 1 A 34 34 GLU CA C 34 55.000 55.143 -0.143 1 1 411 . 16 1 1 A 34 34 GLU CB C 34 31.400 31.538 -0.138 1 1 413 . 16 1 1 A 34 34 GLU N N 34 122.300 120.720 1.580 1 1 414 . 16 1 1 A 35 35 ILE H H 35 8.610 8.977 -0.367 1 1 415 . 16 1 1 A 35 35 ILE HA H 35 4.100 4.611 -0.511 1 1 425 . 16 1 1 A 35 35 ILE C C 35 175.600 175.512 0.088 1 1 426 . 16 1 1 A 35 35 ILE CA C 35 61.200 60.532 0.668 1 1 427 . 16 1 1 A 35 35 ILE CB C 35 38.800 37.832 0.968 1 1 431 . 16 1 1 A 35 35 ILE N N 35 125.500 124.368 1.132 1 1 432 . 16 1 1 A 36 36 ILE H H 36 9.450 8.874 0.576 1 1 433 . 16 1 1 A 36 36 ILE HA H 36 3.990 3.894 0.096 1 1 443 . 16 1 1 A 36 36 ILE C C 36 176.500 176.250 0.250 1 1 444 . 16 1 1 A 36 36 ILE CA C 36 63.100 64.006 -0.906 1 1 445 . 16 1 1 A 36 36 ILE CB C 36 38.800 38.141 0.659 1 1 449 . 16 1 1 A 36 36 ILE N N 36 129.500 129.458 0.042 1 1 450 . 16 1 1 A 37 37 LYS H H 37 7.630 7.585 0.045 1 1 451 . 16 1 1 A 37 37 LYS HA H 37 4.670 4.702 -0.032 1 1 460 . 16 1 1 A 37 37 LYS C C 37 173.100 173.799 -0.699 1 1 461 . 16 1 1 A 37 37 LYS CA C 37 55.700 55.034 0.666 1 1 462 . 16 1 1 A 37 37 LYS CB C 37 34.700 34.303 0.397 1 1 466 . 16 1 1 A 37 37 LYS N N 37 113.300 114.902 -1.602 1 1 467 . 16 1 1 A 38 38 GLU H H 38 8.800 8.783 0.017 1 1 468 . 16 1 1 A 38 38 GLU HA H 38 5.360 5.206 0.154 1 1 473 . 16 1 1 A 38 38 GLU C C 38 175.300 175.220 0.080 1 1 474 . 16 1 1 A 38 38 GLU CA C 38 55.400 54.917 0.483 1 1 475 . 16 1 1 A 38 38 GLU CB C 38 32.500 32.701 -0.201 1 1 477 . 16 1 1 A 38 38 GLU N N 38 122.000 120.696 1.304 1 1 478 . 16 1 1 A 39 39 VAL H H 39 9.550 9.085 0.465 1 1 479 . 16 1 1 A 39 39 VAL HA H 39 4.360 4.541 -0.181 1 1 487 . 16 1 1 A 39 39 VAL C C 39 174.500 175.511 -1.011 1 1 488 . 16 1 1 A 39 39 VAL CA C 39 61.600 61.096 0.504 1 1 489 . 16 1 1 A 39 39 VAL CB C 39 34.400 34.361 0.039 1 1 492 . 16 1 1 A 39 39 VAL N N 39 126.000 126.039 -0.039 1 1 493 . 16 1 1 A 40 40 ASP H H 40 8.960 9.407 -0.447 1 1 494 . 16 1 1 A 40 40 ASP HA H 40 4.340 4.330 0.010 1 1 497 . 16 1 1 A 40 40 ASP C C 40 175.800 176.255 -0.455 1 1 498 . 16 1 1 A 40 40 ASP CA C 40 55.900 55.582 0.318 1 1 499 . 16 1 1 A 40 40 ASP CB C 40 40.700 39.449 1.251 1 1 500 . 16 1 1 A 40 40 ASP N N 40 125.700 128.790 -3.090 1 1 501 . 16 1 1 A 41 41 GLY H H 41 8.870 9.159 -0.289 1 1 502 . 16 1 1 A 41 41 GLY HA2 H 41 3.510 3.740 -0.230 1 1 503 . 16 1 1 A 41 41 GLY HA3 H 41 4.190 3.845 0.345 1 1 504 . 16 1 1 A 41 41 GLY C C 41 173.900 173.993 -0.093 1 1 505 . 16 1 1 A 41 41 GLY CA C 41 45.700 45.451 0.249 1 1 506 . 16 1 1 A 41 41 GLY N N 41 105.500 104.682 0.818 1 1 507 . 16 1 1 A 42 42 TRP H H 42 8.580 8.341 0.239 1 1 508 . 16 1 1 A 42 42 TRP HA H 42 4.700 4.519 0.181 1 1 517 . 16 1 1 A 42 42 TRP C C 42 175.300 175.668 -0.368 1 1 518 . 16 1 1 A 42 42 TRP CA C 42 56.300 57.260 -0.960 1 1 519 . 16 1 1 A 42 42 TRP CB C 42 31.300 30.933 0.367 1 1 525 . 16 1 1 A 42 42 TRP N N 42 122.900 121.123 1.777 1 1 527 . 16 1 1 A 43 43 TYR H H 43 9.400 8.862 0.538 1 1 528 . 16 1 1 A 43 43 TYR HA H 43 5.630 5.285 0.345 1 1 535 . 16 1 1 A 43 43 TYR C C 43 175.800 176.119 -0.319 1 1 536 . 16 1 1 A 43 43 TYR CA C 43 55.900 57.257 -1.357 1 1 537 . 16 1 1 A 43 43 TYR CB C 43 40.200 40.009 0.191 1 1 542 . 16 1 1 A 43 43 TYR N N 43 119.000 122.027 -3.027 1 1 543 . 16 1 1 A 44 44 GLU H H 44 9.110 9.030 0.080 1 1 544 . 16 1 1 A 44 44 GLU HA H 44 4.040 4.403 -0.363 1 1 549 . 16 1 1 A 44 44 GLU C C 44 175.500 175.957 -0.457 1 1 550 . 16 1 1 A 44 44 GLU CA C 44 55.500 56.168 -0.668 1 1 551 . 16 1 1 A 44 44 GLU CB C 44 31.200 30.621 0.579 1 1 553 . 16 1 1 A 44 44 GLU N N 44 125.600 124.614 0.986 1 1 554 . 16 1 1 A 45 45 ILE H H 45 9.300 9.095 0.205 1 1 555 . 16 1 1 A 45 45 ILE HA H 45 5.550 5.068 0.482 1 1 565 . 16 1 1 A 45 45 ILE C C 45 173.700 173.503 0.197 1 1 566 . 16 1 1 A 45 45 ILE CA C 45 58.300 58.882 -0.582 1 1 567 . 16 1 1 A 45 45 ILE CB C 45 43.200 42.392 0.808 1 1 571 . 16 1 1 A 45 45 ILE N N 45 122.700 120.001 2.699 1 1 572 . 16 1 1 A 46 46 ARG H H 46 8.730 8.617 0.113 1 1 573 . 16 1 1 A 46 46 ARG HA H 46 5.310 5.167 0.143 1 1 580 . 16 1 1 A 46 46 ARG C C 46 176.400 174.573 1.827 1 1 581 . 16 1 1 A 46 46 ARG CA C 46 54.400 54.342 0.058 1 1 582 . 16 1 1 A 46 46 ARG CB C 46 33.600 33.176 0.424 1 1 585 . 16 1 1 A 46 46 ARG N N 46 118.900 123.275 -4.375 1 1 586 . 16 1 1 A 47 47 PHE H H 47 9.080 9.217 -0.137 1 1 587 . 16 1 1 A 47 47 PHE HA H 47 4.850 4.868 -0.018 1 1 595 . 16 1 1 A 47 47 PHE C C 47 174.500 174.718 -0.218 1 1 596 . 16 1 1 A 47 47 PHE CA C 47 57.300 57.714 -0.414 1 1 597 . 16 1 1 A 47 47 PHE CB C 47 42.500 42.634 -0.134 1 1 603 . 16 1 1 A 47 47 PHE N N 47 126.500 127.382 -0.882 1 1 604 . 16 1 1 A 48 48 ASN H H 48 9.140 8.782 0.358 1 1 605 . 16 1 1 A 48 48 ASN HA H 48 4.080 4.092 -0.012 1 1 610 . 16 1 1 A 48 48 ASN C C 48 175.100 174.637 0.463 1 1 611 . 16 1 1 A 48 48 ASN CA C 48 53.500 53.708 -0.208 1 1 612 . 16 1 1 A 48 48 ASN CB C 48 37.100 37.150 -0.050 1 1 614 . 16 1 1 A 48 48 ASN N N 48 128.500 125.485 3.015 1 1 616 . 16 1 1 A 49 49 GLY H H 49 8.600 8.534 0.066 1 1 617 . 16 1 1 A 49 49 GLY HA2 H 49 3.510 3.821 -0.311 1 1 618 . 16 1 1 A 49 49 GLY HA3 H 49 4.110 3.827 0.283 1 1 619 . 16 1 1 A 49 49 GLY C C 49 173.600 173.755 -0.155 1 1 620 . 16 1 1 A 49 49 GLY CA C 49 45.600 45.553 0.047 1 1 621 . 16 1 1 A 49 49 GLY N N 49 103.100 103.767 -0.667 1 1 622 . 16 1 1 A 50 50 LYS H H 50 7.850 7.932 -0.082 1 1 623 . 16 1 1 A 50 50 LYS HA H 50 4.620 4.694 -0.074 1 1 632 . 16 1 1 A 50 50 LYS C C 50 174.600 175.207 -0.607 1 1 633 . 16 1 1 A 50 50 LYS CA C 50 54.900 54.867 0.033 1 1 634 . 16 1 1 A 50 50 LYS CB C 50 35.100 34.844 0.256 1 1 638 . 16 1 1 A 50 50 LYS N N 50 121.700 120.827 0.873 1 1 639 . 16 1 1 A 51 51 VAL H H 51 8.120 8.663 -0.543 1 1 640 . 16 1 1 A 51 51 VAL HA H 51 5.100 4.408 0.692 1 1 648 . 16 1 1 A 51 51 VAL C C 51 176.100 175.968 0.132 1 1 649 . 16 1 1 A 51 51 VAL CA C 51 60.700 61.266 -0.566 1 1 650 . 16 1 1 A 51 51 VAL CB C 51 33.400 31.885 1.515 1 1 653 . 16 1 1 A 51 51 VAL N N 51 122.100 126.709 -4.609 1 1 654 . 16 1 1 A 52 52 GLY H H 52 8.430 8.394 0.036 1 1 655 . 16 1 1 A 52 52 GLY HA2 H 52 3.760 4.351 -0.591 1 1 656 . 16 1 1 A 52 52 GLY HA3 H 52 4.230 4.398 -0.168 1 1 657 . 16 1 1 A 52 52 GLY C C 52 170.300 171.431 -1.131 1 1 658 . 16 1 1 A 52 52 GLY CA C 52 45.600 45.287 0.313 1 1 659 . 16 1 1 A 52 52 GLY N N 52 113.100 113.523 -0.423 1 1 660 . 16 1 1 A 53 53 TYR H H 53 9.260 9.280 -0.020 1 1 661 . 16 1 1 A 53 53 TYR HA H 53 5.990 5.639 0.351 1 1 668 . 16 1 1 A 53 53 TYR C C 53 175.700 175.286 0.414 1 1 669 . 16 1 1 A 53 53 TYR CA C 53 56.800 56.774 0.026 1 1 670 . 16 1 1 A 53 53 TYR CB C 53 42.800 43.219 -0.419 1 1 675 . 16 1 1 A 53 53 TYR N N 53 118.000 119.229 -1.229 1 1 676 . 16 1 1 A 54 54 ALA H H 54 9.210 8.410 0.800 1 1 677 . 16 1 1 A 54 54 ALA HA H 54 5.280 5.043 0.237 1 1 681 . 16 1 1 A 54 54 ALA C C 54 175.800 175.506 0.294 1 1 682 . 16 1 1 A 54 54 ALA CA C 54 50.900 51.197 -0.297 1 1 683 . 16 1 1 A 54 54 ALA CB C 54 23.800 23.235 0.565 1 1 684 . 16 1 1 A 54 54 ALA N N 54 122.000 122.578 -0.578 1 1 685 . 16 1 1 A 55 55 SER H H 55 8.620 8.466 0.154 1 1 686 . 16 1 1 A 55 55 SER HA H 55 3.270 2.879 0.391 1 1 689 . 16 1 1 A 55 55 SER C C 55 175.400 175.586 -0.186 1 1 690 . 16 1 1 A 55 55 SER CA C 55 59.100 57.735 1.365 1 1 691 . 16 1 1 A 55 55 SER CB C 55 63.200 62.842 0.358 1 1 692 . 16 1 1 A 55 55 SER N N 55 117.400 114.807 2.593 1 1 693 . 16 1 1 A 56 56 LYS H H 56 7.630 8.115 -0.485 1 1 694 . 16 1 1 A 56 56 LYS HA H 56 3.750 4.106 -0.356 1 1 703 . 16 1 1 A 56 56 LYS C C 56 177.100 177.710 -0.610 1 1 704 . 16 1 1 A 56 56 LYS CA C 56 58.600 58.552 0.048 1 1 705 . 16 1 1 A 56 56 LYS CB C 56 32.300 31.923 0.377 1 1 709 . 16 1 1 A 56 56 LYS N N 56 124.500 124.813 -0.313 1 1 710 . 16 1 1 A 57 57 SER H H 57 7.670 7.513 0.157 1 1 711 . 16 1 1 A 57 57 SER HA H 57 3.930 4.048 -0.118 1 1 714 . 16 1 1 A 57 57 SER C C 57 174.100 175.164 -1.064 1 1 715 . 16 1 1 A 57 57 SER CA C 57 60.700 61.015 -0.315 1 1 716 . 16 1 1 A 57 57 SER CB C 57 62.800 62.299 0.501 1 1 717 . 16 1 1 A 57 57 SER N N 57 112.000 114.257 -2.257 1 1 718 . 16 1 1 A 58 58 TYR H H 58 6.990 7.372 -0.382 1 1 719 . 16 1 1 A 58 58 TYR HA H 58 4.800 4.708 0.092 1 1 726 . 16 1 1 A 58 58 TYR C C 58 173.300 174.556 -1.256 1 1 727 . 16 1 1 A 58 58 TYR CA C 58 57.400 57.226 0.174 1 1 728 . 16 1 1 A 58 58 TYR CB C 58 40.500 38.259 2.241 1 1 733 . 16 1 1 A 58 58 TYR N N 58 116.100 119.490 -3.390 1 1 734 . 16 1 1 A 59 59 ILE H H 59 7.300 7.352 -0.052 1 1 735 . 16 1 1 A 59 59 ILE HA H 59 4.790 4.770 0.020 1 1 745 . 16 1 1 A 59 59 ILE C C 59 174.500 174.796 -0.296 1 1 746 . 16 1 1 A 59 59 ILE CA C 59 59.300 60.233 -0.933 1 1 747 . 16 1 1 A 59 59 ILE CB C 59 40.800 39.103 1.697 1 1 751 . 16 1 1 A 59 59 ILE N N 59 119.000 120.531 -1.531 1 1 752 . 16 1 1 A 60 60 THR H H 60 8.980 8.882 0.098 1 1 753 . 16 1 1 A 60 60 THR HA H 60 4.580 4.869 -0.289 1 1 758 . 16 1 1 A 60 60 THR C C 60 173.800 173.762 0.038 1 1 759 . 16 1 1 A 60 60 THR CA C 60 60.800 61.867 -1.067 1 1 760 . 16 1 1 A 60 60 THR CB C 60 71.100 70.388 0.712 1 1 762 . 16 1 1 A 60 60 THR N N 60 123.600 124.303 -0.703 1 1 763 . 16 1 1 A 61 61 ILE H H 61 8.680 8.691 -0.011 1 1 764 . 16 1 1 A 61 61 ILE HA H 61 4.180 4.059 0.121 1 1 774 . 16 1 1 A 61 61 ILE C C 61 176.400 176.172 0.228 1 1 775 . 16 1 1 A 61 61 ILE CA C 61 61.800 60.651 1.149 1 1 776 . 16 1 1 A 61 61 ILE CB C 61 37.900 37.738 0.162 1 1 780 . 16 1 1 A 61 61 ILE N N 61 127.200 128.319 -1.119 1 1 781 . 16 1 1 A 62 62 VAL H H 62 8.370 8.491 -0.121 1 1 782 . 16 1 1 A 62 62 VAL HA H 62 4.140 3.821 0.319 1 1 790 . 16 1 1 A 62 62 VAL C C 62 175.200 175.786 -0.586 1 1 791 . 16 1 1 A 62 62 VAL CA C 62 61.800 63.370 -1.570 1 1 792 . 16 1 1 A 62 62 VAL CB C 62 33.200 32.049 1.151 1 1 795 . 16 1 1 A 62 62 VAL N N 62 126.600 127.627 -1.027 1 1 796 . 16 1 1 A 63 63 ASN H H 63 8.590 8.458 0.132 1 1 797 . 16 1 1 A 63 63 ASN HA H 63 4.730 4.550 0.180 1 1 802 . 16 1 1 A 63 63 ASN C C 63 175.200 174.625 0.575 1 1 803 . 16 1 1 A 63 63 ASN CA C 63 53.200 53.652 -0.452 1 1 804 . 16 1 1 A 63 63 ASN CB C 63 39.100 37.500 1.600 1 1 806 . 16 1 1 A 63 63 ASN N N 63 123.500 125.168 -1.668 1 1 808 . 16 1 1 A 64 64 GLU H H 64 8.620 8.717 -0.097 1 1 809 . 16 1 1 A 64 64 GLU HA H 64 4.250 4.633 -0.383 1 1 814 . 16 1 1 A 64 64 GLU C C 64 177.000 176.176 0.824 1 1 815 . 16 1 1 A 64 64 GLU CA C 64 57.100 55.515 1.585 1 1 816 . 16 1 1 A 64 64 GLU CB C 64 30.400 31.424 -1.024 1 1 818 . 16 1 1 A 64 64 GLU N N 64 122.700 125.104 -2.404 1 1 819 . 16 1 1 A 65 65 GLY H H 65 8.490 8.965 -0.475 1 1 820 . 16 1 1 A 65 65 GLY HA2 H 65 3.980 3.844 0.136 1 1 821 . 16 1 1 A 65 65 GLY HA3 H 65 3.980 3.848 0.132 1 1 822 . 16 1 1 A 65 65 GLY C C 65 174.300 174.199 0.101 1 1 823 . 16 1 1 A 65 65 GLY CA C 65 45.500 47.097 -1.597 1 1 824 . 16 1 1 A 65 65 GLY N N 65 109.600 114.991 -5.391 1 1 825 . 16 1 1 A 66 66 SER H H 66 8.180 8.000 0.180 1 1 826 . 16 1 1 A 66 66 SER HA H 66 4.450 4.466 -0.016 1 1 829 . 16 1 1 A 66 66 SER C C 66 174.900 173.512 1.388 1 1 830 . 16 1 1 A 66 66 SER CA C 66 58.300 58.511 -0.211 1 1 831 . 16 1 1 A 66 66 SER CB C 66 63.700 64.380 -0.680 1 1 832 . 16 1 1 A 66 66 SER N N 66 115.500 113.666 1.834 1 1 833 . 16 1 1 A 67 67 LEU H H 67 8.300 8.447 -0.147 1 1 834 . 16 1 1 A 67 67 LEU HA H 67 4.300 4.452 -0.152 1 1 844 . 16 1 1 A 67 67 LEU C C 67 177.500 176.412 1.088 1 1 845 . 16 1 1 A 67 67 LEU CA C 67 55.400 53.688 1.712 1 1 846 . 16 1 1 A 67 67 LEU CB C 67 42.200 41.529 0.671 1 1 850 . 16 1 1 A 67 67 LEU N N 67 123.800 124.580 -0.780 1 1 851 . 16 1 1 A 68 68 GLU H H 68 8.270 8.322 -0.052 1 1 852 . 16 1 1 A 68 68 GLU HA H 68 4.160 3.876 0.284 1 1 857 . 16 1 1 A 68 68 GLU CA C 68 56.900 59.021 -2.121 1 1 858 . 16 1 1 A 68 68 GLU CB C 68 30.100 29.308 0.792 1 1 860 . 16 1 1 A 68 68 GLU N N 68 120.700 126.144 -5.444 1 1 861 . 16 1 1 A 69 69 HIS C C 69 173.900 174.653 -0.753 1 1 862 . 16 1 1 A 70 70 HIS H H 70 8.140 8.578 -0.438 1 1 863 . 16 1 1 A 70 70 HIS CA C 70 57.200 55.909 1.291 1 1 864 . 16 1 1 A 70 70 HIS CB C 70 30.200 30.215 -0.015 1 1 14 . 17 1 1 A 2 2 GLN H H 2 9.330 8.955 0.375 1 1 15 . 17 1 1 A 2 2 GLN HA H 2 5.000 5.147 -0.147 1 1 22 . 17 1 1 A 2 2 GLN C C 2 174.500 175.415 -0.915 1 1 23 . 17 1 1 A 2 2 GLN CA C 2 55.500 54.160 1.340 1 1 24 . 17 1 1 A 2 2 GLN CB C 2 31.700 31.699 0.001 1 1 26 . 17 1 1 A 2 2 GLN N N 2 125.400 125.249 0.151 1 1 28 . 17 1 1 A 3 3 GLY H H 3 8.860 8.744 0.116 1 1 29 . 17 1 1 A 3 3 GLY HA2 H 3 3.070 4.080 -1.010 1 1 30 . 17 1 1 A 3 3 GLY HA3 H 3 5.250 4.109 1.141 1 1 31 . 17 1 1 A 3 3 GLY C C 3 171.800 172.475 -0.675 1 1 32 . 17 1 1 A 3 3 GLY CA C 3 44.300 44.278 0.022 1 1 33 . 17 1 1 A 3 3 GLY N N 3 108.200 111.966 -3.766 1 1 34 . 17 1 1 A 4 4 VAL H H 4 9.060 8.642 0.418 1 1 35 . 17 1 1 A 4 4 VAL HA H 4 5.080 4.855 0.225 1 1 43 . 17 1 1 A 4 4 VAL C C 4 174.500 174.993 -0.493 1 1 44 . 17 1 1 A 4 4 VAL CA C 4 59.800 60.487 -0.687 1 1 45 . 17 1 1 A 4 4 VAL CB C 4 35.300 34.746 0.554 1 1 48 . 17 1 1 A 4 4 VAL N N 4 120.200 122.116 -1.916 1 1 49 . 17 1 1 A 5 5 VAL H H 5 8.750 8.527 0.223 1 1 50 . 17 1 1 A 5 5 VAL HA H 5 4.190 4.336 -0.146 1 1 58 . 17 1 1 A 5 5 VAL C C 5 175.800 175.276 0.524 1 1 59 . 17 1 1 A 5 5 VAL CA C 5 62.800 62.066 0.734 1 1 60 . 17 1 1 A 5 5 VAL CB C 5 31.900 31.896 0.004 1 1 63 . 17 1 1 A 5 5 VAL N N 5 128.600 128.037 0.563 1 1 64 . 17 1 1 A 6 6 LYS H H 6 8.830 8.958 -0.128 1 1 65 . 17 1 1 A 6 6 LYS HA H 6 5.250 4.995 0.255 1 1 74 . 17 1 1 A 6 6 LYS C C 6 174.800 174.796 0.004 1 1 75 . 17 1 1 A 6 6 LYS CA C 6 54.300 55.130 -0.830 1 1 76 . 17 1 1 A 6 6 LYS CB C 6 33.200 34.116 -0.916 1 1 80 . 17 1 1 A 6 6 LYS N N 6 131.400 127.116 4.284 1 1 81 . 17 1 1 A 7 7 VAL H H 7 8.270 8.634 -0.364 1 1 82 . 17 1 1 A 7 7 VAL HA H 7 4.640 4.896 -0.256 1 1 90 . 17 1 1 A 7 7 VAL C C 7 173.400 176.591 -3.191 1 1 91 . 17 1 1 A 7 7 VAL CA C 7 59.700 59.849 -0.149 1 1 92 . 17 1 1 A 7 7 VAL CB C 7 35.400 35.690 -0.290 1 1 95 . 17 1 1 A 7 7 VAL N N 7 119.000 123.415 -4.415 1 1 96 . 17 1 1 A 8 8 ASN H H 8 8.560 9.091 -0.531 1 1 97 . 17 1 1 A 8 8 ASN HA H 8 4.690 4.564 0.126 1 1 102 . 17 1 1 A 8 8 ASN C C 8 175.600 175.601 -0.001 1 1 103 . 17 1 1 A 8 8 ASN CA C 8 54.500 56.029 -1.529 1 1 104 . 17 1 1 A 8 8 ASN CB C 8 38.700 37.907 0.793 1 1 106 . 17 1 1 A 8 8 ASN N N 8 120.700 125.478 -4.778 1 1 108 . 17 1 1 A 9 9 SER H H 9 7.630 7.855 -0.225 1 1 109 . 17 1 1 A 9 9 SER HA H 9 4.450 4.827 -0.377 1 1 112 . 17 1 1 A 9 9 SER C C 9 172.800 172.964 -0.164 1 1 113 . 17 1 1 A 9 9 SER CA C 9 58.100 57.073 1.027 1 1 114 . 17 1 1 A 9 9 SER CB C 9 63.500 65.037 -1.537 1 1 115 . 17 1 1 A 9 9 SER N N 9 112.800 113.332 -0.532 1 1 116 . 17 1 1 A 10 10 ALA H H 10 8.330 8.265 0.065 1 1 117 . 17 1 1 A 10 10 ALA HA H 10 4.530 4.823 -0.293 1 1 121 . 17 1 1 A 10 10 ALA C C 10 175.300 175.965 -0.665 1 1 122 . 17 1 1 A 10 10 ALA CA C 10 52.400 50.794 1.606 1 1 123 . 17 1 1 A 10 10 ALA CB C 10 20.900 20.657 0.243 1 1 124 . 17 1 1 A 10 10 ALA N N 10 123.900 124.225 -0.325 1 1 125 . 17 1 1 A 11 11 LEU H H 11 8.930 9.156 -0.226 1 1 126 . 17 1 1 A 11 11 LEU HA H 11 4.530 4.971 -0.441 1 1 136 . 17 1 1 A 11 11 LEU C C 11 175.300 174.890 0.410 1 1 137 . 17 1 1 A 11 11 LEU CA C 11 52.600 53.136 -0.536 1 1 138 . 17 1 1 A 11 11 LEU CB C 11 45.900 45.097 0.803 1 1 142 . 17 1 1 A 11 11 LEU N N 11 123.600 123.781 -0.181 1 1 143 . 17 1 1 A 12 12 ASN H H 12 8.800 8.613 0.187 1 1 144 . 17 1 1 A 12 12 ASN HA H 12 5.030 5.037 -0.007 1 1 149 . 17 1 1 A 12 12 ASN C C 12 174.000 174.647 -0.647 1 1 150 . 17 1 1 A 12 12 ASN CA C 12 53.800 52.901 0.899 1 1 151 . 17 1 1 A 12 12 ASN CB C 12 39.500 39.668 -0.168 1 1 153 . 17 1 1 A 12 12 ASN N N 12 123.600 124.727 -1.127 1 1 155 . 17 1 1 A 13 13 MET H H 13 8.630 8.830 -0.200 1 1 156 . 17 1 1 A 13 13 MET HA H 13 4.970 5.176 -0.206 1 1 164 . 17 1 1 A 13 13 MET C C 13 176.000 175.384 0.616 1 1 165 . 17 1 1 A 13 13 MET CA C 13 54.900 54.022 0.878 1 1 166 . 17 1 1 A 13 13 MET CB C 13 35.200 35.509 -0.309 1 1 169 . 17 1 1 A 13 13 MET N N 13 122.600 124.978 -2.378 1 1 170 . 17 1 1 A 14 14 ARG H H 14 9.730 8.693 1.037 1 1 171 . 17 1 1 A 14 14 ARG HA H 14 5.760 4.808 0.952 1 1 178 . 17 1 1 A 14 14 ARG C C 14 177.700 176.974 0.726 1 1 179 . 17 1 1 A 14 14 ARG CA C 14 54.900 54.465 0.435 1 1 180 . 17 1 1 A 14 14 ARG CB C 14 34.600 32.730 1.870 1 1 183 . 17 1 1 A 14 14 ARG N N 14 125.200 125.417 -0.217 1 1 184 . 17 1 1 A 15 15 SER H H 15 9.010 8.846 0.164 1 1 185 . 17 1 1 A 15 15 SER HA H 15 4.580 4.338 0.242 1 1 188 . 17 1 1 A 15 15 SER C C 15 173.100 174.335 -1.235 1 1 189 . 17 1 1 A 15 15 SER CA C 15 59.100 59.805 -0.705 1 1 190 . 17 1 1 A 15 15 SER CB C 15 63.600 63.603 -0.003 1 1 191 . 17 1 1 A 15 15 SER N N 15 113.600 115.489 -1.889 1 1 192 . 17 1 1 A 16 16 GLY H H 16 6.940 7.256 -0.316 1 1 193 . 17 1 1 A 16 16 GLY HA2 H 16 1.050 3.241 -2.191 1 1 194 . 17 1 1 A 16 16 GLY HA3 H 16 3.010 3.437 -0.427 1 1 195 . 17 1 1 A 16 16 GLY CA C 16 43.700 44.636 -0.936 1 1 196 . 17 1 1 A 16 16 GLY N N 16 109.500 108.071 1.429 1 1 197 . 17 1 1 A 17 17 PRO HA H 17 3.070 2.995 0.075 1 1 204 . 17 1 1 A 17 17 PRO C C 17 172.400 175.378 -2.978 1 1 205 . 17 1 1 A 17 17 PRO CA C 17 60.200 61.400 -1.200 1 1 206 . 17 1 1 A 17 17 PRO CB C 17 28.300 28.926 -0.626 1 1 209 . 17 1 1 A 18 18 GLY H H 18 6.650 7.036 -0.386 1 1 210 . 17 1 1 A 18 18 GLY HA2 H 18 3.630 4.119 -0.489 1 1 211 . 17 1 1 A 18 18 GLY HA3 H 18 4.010 4.167 -0.157 1 1 212 . 17 1 1 A 18 18 GLY C C 18 173.200 174.696 -1.496 1 1 213 . 17 1 1 A 18 18 GLY CA C 18 46.200 45.597 0.603 1 1 214 . 17 1 1 A 18 18 GLY N N 18 110.400 109.706 0.694 1 1 215 . 17 1 1 A 19 19 SER H H 19 8.960 9.150 -0.190 1 1 216 . 17 1 1 A 19 19 SER HA H 19 4.200 4.238 -0.038 1 1 219 . 17 1 1 A 19 19 SER C C 19 173.600 176.549 -2.949 1 1 220 . 17 1 1 A 19 19 SER CA C 19 60.600 60.265 0.335 1 1 221 . 17 1 1 A 19 19 SER CB C 19 63.200 62.688 0.512 1 1 222 . 17 1 1 A 19 19 SER N N 19 115.800 117.689 -1.889 1 1 223 . 17 1 1 A 20 20 ASN H H 20 8.720 8.709 0.011 1 1 224 . 17 1 1 A 20 20 ASN HA H 20 4.560 4.392 0.168 1 1 229 . 17 1 1 A 20 20 ASN C C 20 175.300 177.097 -1.797 1 1 230 . 17 1 1 A 20 20 ASN CA C 20 53.300 55.690 -2.390 1 1 231 . 17 1 1 A 20 20 ASN CB C 20 37.300 37.495 -0.195 1 1 233 . 17 1 1 A 20 20 ASN N N 20 115.000 116.976 -1.976 1 1 235 . 17 1 1 A 21 21 TYR H H 21 7.040 7.539 -0.499 1 1 236 . 17 1 1 A 21 21 TYR HA H 21 4.290 4.261 0.029 1 1 243 . 17 1 1 A 21 21 TYR C C 21 175.700 176.445 -0.745 1 1 244 . 17 1 1 A 21 21 TYR CA C 21 58.800 60.497 -1.697 1 1 245 . 17 1 1 A 21 21 TYR CB C 21 39.400 38.620 0.780 1 1 250 . 17 1 1 A 21 21 TYR N N 21 119.200 118.322 0.878 1 1 251 . 17 1 1 A 22 22 GLY H H 22 8.450 7.920 0.530 1 1 252 . 17 1 1 A 22 22 GLY HA2 H 22 3.820 4.086 -0.266 1 1 253 . 17 1 1 A 22 22 GLY HA3 H 22 4.090 4.086 0.004 1 1 254 . 17 1 1 A 22 22 GLY C C 22 172.700 172.858 -0.158 1 1 255 . 17 1 1 A 22 22 GLY CA C 22 45.300 44.487 0.813 1 1 256 . 17 1 1 A 22 22 GLY N N 22 107.800 106.544 1.256 1 1 257 . 17 1 1 A 23 23 VAL H H 23 8.470 8.264 0.206 1 1 258 . 17 1 1 A 23 23 VAL HA H 23 4.320 4.589 -0.269 1 1 266 . 17 1 1 A 23 23 VAL C C 23 178.000 176.631 1.369 1 1 267 . 17 1 1 A 23 23 VAL CA C 23 63.700 61.678 2.022 1 1 268 . 17 1 1 A 23 23 VAL CB C 23 32.700 32.470 0.230 1 1 271 . 17 1 1 A 23 23 VAL N N 23 120.200 119.351 0.849 1 1 272 . 17 1 1 A 24 24 ILE H H 24 9.120 8.784 0.336 1 1 273 . 17 1 1 A 24 24 ILE HA H 24 4.740 4.619 0.121 1 1 283 . 17 1 1 A 24 24 ILE C C 24 175.300 175.704 -0.404 1 1 284 . 17 1 1 A 24 24 ILE CA C 24 60.500 60.884 -0.384 1 1 285 . 17 1 1 A 24 24 ILE CB C 24 39.900 38.854 1.046 1 1 289 . 17 1 1 A 24 24 ILE N N 24 120.900 124.430 -3.530 1 1 290 . 17 1 1 A 25 25 GLY H H 25 7.770 7.516 0.254 1 1 291 . 17 1 1 A 25 25 GLY HA2 H 25 4.130 4.088 0.042 1 1 292 . 17 1 1 A 25 25 GLY HA3 H 25 4.310 4.089 0.221 1 1 293 . 17 1 1 A 25 25 GLY C C 25 171.100 171.440 -0.340 1 1 294 . 17 1 1 A 25 25 GLY CA C 25 45.500 45.768 -0.268 1 1 295 . 17 1 1 A 25 25 GLY N N 25 109.200 109.113 0.087 1 1 296 . 17 1 1 A 26 26 THR H H 26 8.440 8.434 0.006 1 1 297 . 17 1 1 A 26 26 THR HA H 26 5.080 5.346 -0.266 1 1 302 . 17 1 1 A 26 26 THR C C 26 173.000 173.407 -0.407 1 1 303 . 17 1 1 A 26 26 THR CA C 26 61.400 59.606 1.794 1 1 304 . 17 1 1 A 26 26 THR CB C 26 72.200 72.020 0.180 1 1 306 . 17 1 1 A 26 26 THR N N 26 113.900 111.705 2.195 1 1 307 . 17 1 1 A 27 27 LEU H H 27 9.180 9.313 -0.133 1 1 308 . 17 1 1 A 27 27 LEU HA H 27 4.480 4.965 -0.485 1 1 318 . 17 1 1 A 27 27 LEU C C 27 174.900 175.664 -0.764 1 1 319 . 17 1 1 A 27 27 LEU CA C 27 53.400 53.485 -0.085 1 1 320 . 17 1 1 A 27 27 LEU CB C 27 45.000 45.408 -0.408 1 1 324 . 17 1 1 A 27 27 LEU N N 27 125.600 124.152 1.448 1 1 325 . 17 1 1 A 28 28 ARG H H 28 9.280 8.688 0.592 1 1 326 . 17 1 1 A 28 28 ARG HA H 28 4.510 4.701 -0.191 1 1 333 . 17 1 1 A 28 28 ARG C C 28 175.300 175.826 -0.526 1 1 334 . 17 1 1 A 28 28 ARG CA C 28 53.300 54.056 -0.756 1 1 335 . 17 1 1 A 28 28 ARG CB C 28 33.100 32.469 0.631 1 1 338 . 17 1 1 A 28 28 ARG N N 28 120.600 121.759 -1.159 1 1 339 . 17 1 1 A 29 29 ASN H H 29 8.360 8.717 -0.357 1 1 340 . 17 1 1 A 29 29 ASN HA H 29 4.070 4.777 -0.707 1 1 345 . 17 1 1 A 29 29 ASN C C 29 176.500 175.019 1.481 1 1 346 . 17 1 1 A 29 29 ASN CA C 29 56.100 52.363 3.737 1 1 347 . 17 1 1 A 29 29 ASN CB C 29 39.300 39.103 0.197 1 1 349 . 17 1 1 A 29 29 ASN N N 29 117.200 119.404 -2.204 1 1 351 . 17 1 1 A 30 30 ASN H H 30 9.290 9.002 0.288 1 1 352 . 17 1 1 A 30 30 ASN HA H 30 4.300 4.299 0.001 1 1 357 . 17 1 1 A 30 30 ASN C C 30 175.100 173.539 1.561 1 1 358 . 17 1 1 A 30 30 ASN CA C 30 55.500 54.715 0.785 1 1 359 . 17 1 1 A 30 30 ASN CB C 30 37.300 37.250 0.050 1 1 361 . 17 1 1 A 30 30 ASN N N 30 118.900 114.687 4.213 1 1 363 . 17 1 1 A 31 31 ASP H H 31 8.210 7.946 0.264 1 1 364 . 17 1 1 A 31 31 ASP HA H 31 4.700 4.805 -0.105 1 1 367 . 17 1 1 A 31 31 ASP C C 31 175.300 175.762 -0.462 1 1 368 . 17 1 1 A 31 31 ASP CA C 31 56.500 53.654 2.846 1 1 369 . 17 1 1 A 31 31 ASP CB C 31 41.200 41.451 -0.251 1 1 370 . 17 1 1 A 31 31 ASP N N 31 122.300 120.280 2.020 1 1 371 . 17 1 1 A 32 32 LYS H H 32 8.510 8.536 -0.026 1 1 372 . 17 1 1 A 32 32 LYS HA H 32 5.140 4.448 0.692 1 1 381 . 17 1 1 A 32 32 LYS C C 32 176.600 176.657 -0.057 1 1 382 . 17 1 1 A 32 32 LYS CA C 32 55.400 56.464 -1.064 1 1 383 . 17 1 1 A 32 32 LYS CB C 32 33.500 33.051 0.449 1 1 387 . 17 1 1 A 32 32 LYS N N 32 121.500 127.009 -5.509 1 1 388 . 17 1 1 A 33 33 VAL H H 33 8.650 8.772 -0.122 1 1 389 . 17 1 1 A 33 33 VAL HA H 33 5.020 4.945 0.075 1 1 397 . 17 1 1 A 33 33 VAL C C 33 174.200 173.501 0.699 1 1 398 . 17 1 1 A 33 33 VAL CA C 33 58.200 58.776 -0.576 1 1 399 . 17 1 1 A 33 33 VAL CB C 33 34.900 35.887 -0.987 1 1 402 . 17 1 1 A 33 33 VAL N N 33 113.500 117.945 -4.445 1 1 403 . 17 1 1 A 34 34 GLU H H 34 8.070 8.990 -0.920 1 1 404 . 17 1 1 A 34 34 GLU HA H 34 4.780 4.894 -0.114 1 1 409 . 17 1 1 A 34 34 GLU C C 34 176.000 174.973 1.027 1 1 410 . 17 1 1 A 34 34 GLU CA C 34 55.000 54.911 0.089 1 1 411 . 17 1 1 A 34 34 GLU CB C 34 31.400 31.769 -0.369 1 1 413 . 17 1 1 A 34 34 GLU N N 34 122.300 122.246 0.054 1 1 414 . 17 1 1 A 35 35 ILE H H 35 8.610 8.873 -0.263 1 1 415 . 17 1 1 A 35 35 ILE HA H 35 4.100 4.484 -0.384 1 1 425 . 17 1 1 A 35 35 ILE C C 35 175.600 175.583 0.017 1 1 426 . 17 1 1 A 35 35 ILE CA C 35 61.200 61.248 -0.048 1 1 427 . 17 1 1 A 35 35 ILE CB C 35 38.800 37.634 1.166 1 1 431 . 17 1 1 A 35 35 ILE N N 35 125.500 127.577 -2.077 1 1 432 . 17 1 1 A 36 36 ILE H H 36 9.450 9.123 0.327 1 1 433 . 17 1 1 A 36 36 ILE HA H 36 3.990 4.183 -0.193 1 1 443 . 17 1 1 A 36 36 ILE C C 36 176.500 176.187 0.313 1 1 444 . 17 1 1 A 36 36 ILE CA C 36 63.100 62.511 0.589 1 1 445 . 17 1 1 A 36 36 ILE CB C 36 38.800 38.417 0.383 1 1 449 . 17 1 1 A 36 36 ILE N N 36 129.500 128.882 0.618 1 1 450 . 17 1 1 A 37 37 LYS H H 37 7.630 7.637 -0.007 1 1 451 . 17 1 1 A 37 37 LYS HA H 37 4.670 4.725 -0.055 1 1 460 . 17 1 1 A 37 37 LYS C C 37 173.100 173.840 -0.740 1 1 461 . 17 1 1 A 37 37 LYS CA C 37 55.700 55.144 0.556 1 1 462 . 17 1 1 A 37 37 LYS CB C 37 34.700 34.917 -0.217 1 1 466 . 17 1 1 A 37 37 LYS N N 37 113.300 115.170 -1.870 1 1 467 . 17 1 1 A 38 38 GLU H H 38 8.800 9.007 -0.207 1 1 468 . 17 1 1 A 38 38 GLU HA H 38 5.360 5.400 -0.040 1 1 473 . 17 1 1 A 38 38 GLU C C 38 175.300 175.196 0.104 1 1 474 . 17 1 1 A 38 38 GLU CA C 38 55.400 54.903 0.497 1 1 475 . 17 1 1 A 38 38 GLU CB C 38 32.500 32.622 -0.122 1 1 477 . 17 1 1 A 38 38 GLU N N 38 122.000 121.782 0.218 1 1 478 . 17 1 1 A 39 39 VAL H H 39 9.550 9.128 0.422 1 1 479 . 17 1 1 A 39 39 VAL HA H 39 4.360 4.546 -0.186 1 1 487 . 17 1 1 A 39 39 VAL C C 39 174.500 176.051 -1.551 1 1 488 . 17 1 1 A 39 39 VAL CA C 39 61.600 61.139 0.461 1 1 489 . 17 1 1 A 39 39 VAL CB C 39 34.400 34.440 -0.040 1 1 492 . 17 1 1 A 39 39 VAL N N 39 126.000 126.155 -0.155 1 1 493 . 17 1 1 A 40 40 ASP H H 40 8.960 9.566 -0.606 1 1 494 . 17 1 1 A 40 40 ASP HA H 40 4.340 4.329 0.011 1 1 497 . 17 1 1 A 40 40 ASP C C 40 175.800 175.389 0.411 1 1 498 . 17 1 1 A 40 40 ASP CA C 40 55.900 55.195 0.705 1 1 499 . 17 1 1 A 40 40 ASP CB C 40 40.700 39.825 0.875 1 1 500 . 17 1 1 A 40 40 ASP N N 40 125.700 127.667 -1.967 1 1 501 . 17 1 1 A 41 41 GLY H H 41 8.870 8.306 0.564 1 1 502 . 17 1 1 A 41 41 GLY HA2 H 41 3.510 3.664 -0.154 1 1 503 . 17 1 1 A 41 41 GLY HA3 H 41 4.190 3.705 0.485 1 1 504 . 17 1 1 A 41 41 GLY C C 41 173.900 173.964 -0.064 1 1 505 . 17 1 1 A 41 41 GLY CA C 41 45.700 45.220 0.480 1 1 506 . 17 1 1 A 41 41 GLY N N 41 105.500 103.673 1.827 1 1 507 . 17 1 1 A 42 42 TRP H H 42 8.580 8.351 0.229 1 1 508 . 17 1 1 A 42 42 TRP HA H 42 4.700 4.603 0.097 1 1 517 . 17 1 1 A 42 42 TRP C C 42 175.300 175.843 -0.543 1 1 518 . 17 1 1 A 42 42 TRP CA C 42 56.300 57.546 -1.246 1 1 519 . 17 1 1 A 42 42 TRP CB C 42 31.300 30.444 0.856 1 1 525 . 17 1 1 A 42 42 TRP N N 42 122.900 121.000 1.900 1 1 527 . 17 1 1 A 43 43 TYR H H 43 9.400 8.840 0.560 1 1 528 . 17 1 1 A 43 43 TYR HA H 43 5.630 5.255 0.375 1 1 535 . 17 1 1 A 43 43 TYR C C 43 175.800 175.277 0.523 1 1 536 . 17 1 1 A 43 43 TYR CA C 43 55.900 57.035 -1.135 1 1 537 . 17 1 1 A 43 43 TYR CB C 43 40.200 40.038 0.162 1 1 542 . 17 1 1 A 43 43 TYR N N 43 119.000 122.320 -3.320 1 1 543 . 17 1 1 A 44 44 GLU H H 44 9.110 9.260 -0.150 1 1 544 . 17 1 1 A 44 44 GLU HA H 44 4.040 4.291 -0.251 1 1 549 . 17 1 1 A 44 44 GLU C C 44 175.500 176.277 -0.777 1 1 550 . 17 1 1 A 44 44 GLU CA C 44 55.500 55.791 -0.291 1 1 551 . 17 1 1 A 44 44 GLU CB C 44 31.200 30.977 0.223 1 1 553 . 17 1 1 A 44 44 GLU N N 44 125.600 124.948 0.652 1 1 554 . 17 1 1 A 45 45 ILE H H 45 9.300 8.649 0.651 1 1 555 . 17 1 1 A 45 45 ILE HA H 45 5.550 5.379 0.171 1 1 565 . 17 1 1 A 45 45 ILE C C 45 173.700 173.450 0.250 1 1 566 . 17 1 1 A 45 45 ILE CA C 45 58.300 58.668 -0.368 1 1 567 . 17 1 1 A 45 45 ILE CB C 45 43.200 41.935 1.265 1 1 571 . 17 1 1 A 45 45 ILE N N 45 122.700 121.188 1.512 1 1 572 . 17 1 1 A 46 46 ARG H H 46 8.730 8.424 0.306 1 1 573 . 17 1 1 A 46 46 ARG HA H 46 5.310 5.374 -0.064 1 1 580 . 17 1 1 A 46 46 ARG C C 46 176.400 174.638 1.762 1 1 581 . 17 1 1 A 46 46 ARG CA C 46 54.400 54.374 0.026 1 1 582 . 17 1 1 A 46 46 ARG CB C 46 33.600 33.188 0.412 1 1 585 . 17 1 1 A 46 46 ARG N N 46 118.900 122.737 -3.837 1 1 586 . 17 1 1 A 47 47 PHE H H 47 9.080 9.110 -0.030 1 1 587 . 17 1 1 A 47 47 PHE HA H 47 4.850 4.870 -0.020 1 1 595 . 17 1 1 A 47 47 PHE C C 47 174.500 174.820 -0.320 1 1 596 . 17 1 1 A 47 47 PHE CA C 47 57.300 57.639 -0.339 1 1 597 . 17 1 1 A 47 47 PHE CB C 47 42.500 42.808 -0.308 1 1 603 . 17 1 1 A 47 47 PHE N N 47 126.500 127.295 -0.795 1 1 604 . 17 1 1 A 48 48 ASN H H 48 9.140 8.830 0.310 1 1 605 . 17 1 1 A 48 48 ASN HA H 48 4.080 4.190 -0.110 1 1 610 . 17 1 1 A 48 48 ASN C C 48 175.100 174.768 0.332 1 1 611 . 17 1 1 A 48 48 ASN CA C 48 53.500 53.866 -0.366 1 1 612 . 17 1 1 A 48 48 ASN CB C 48 37.100 37.378 -0.278 1 1 614 . 17 1 1 A 48 48 ASN N N 48 128.500 125.537 2.963 1 1 616 . 17 1 1 A 49 49 GLY H H 49 8.600 8.626 -0.026 1 1 617 . 17 1 1 A 49 49 GLY HA2 H 49 3.510 3.829 -0.319 1 1 618 . 17 1 1 A 49 49 GLY HA3 H 49 4.110 3.831 0.279 1 1 619 . 17 1 1 A 49 49 GLY C C 49 173.600 173.464 0.136 1 1 620 . 17 1 1 A 49 49 GLY CA C 49 45.600 45.394 0.206 1 1 621 . 17 1 1 A 49 49 GLY N N 49 103.100 103.744 -0.644 1 1 622 . 17 1 1 A 50 50 LYS H H 50 7.850 7.905 -0.055 1 1 623 . 17 1 1 A 50 50 LYS HA H 50 4.620 4.710 -0.090 1 1 632 . 17 1 1 A 50 50 LYS C C 50 174.600 175.366 -0.766 1 1 633 . 17 1 1 A 50 50 LYS CA C 50 54.900 54.926 -0.026 1 1 634 . 17 1 1 A 50 50 LYS CB C 50 35.100 34.882 0.218 1 1 638 . 17 1 1 A 50 50 LYS N N 50 121.700 121.722 -0.022 1 1 639 . 17 1 1 A 51 51 VAL H H 51 8.120 8.565 -0.445 1 1 640 . 17 1 1 A 51 51 VAL HA H 51 5.100 4.962 0.138 1 1 648 . 17 1 1 A 51 51 VAL C C 51 176.100 175.796 0.304 1 1 649 . 17 1 1 A 51 51 VAL CA C 51 60.700 60.118 0.582 1 1 650 . 17 1 1 A 51 51 VAL CB C 51 33.400 34.323 -0.923 1 1 653 . 17 1 1 A 51 51 VAL N N 51 122.100 124.653 -2.553 1 1 654 . 17 1 1 A 52 52 GLY H H 52 8.430 8.026 0.404 1 1 655 . 17 1 1 A 52 52 GLY HA2 H 52 3.760 4.313 -0.553 1 1 656 . 17 1 1 A 52 52 GLY HA3 H 52 4.230 4.337 -0.107 1 1 657 . 17 1 1 A 52 52 GLY C C 52 170.300 171.391 -1.091 1 1 658 . 17 1 1 A 52 52 GLY CA C 52 45.600 46.046 -0.446 1 1 659 . 17 1 1 A 52 52 GLY N N 52 113.100 112.697 0.403 1 1 660 . 17 1 1 A 53 53 TYR H H 53 9.260 9.087 0.173 1 1 661 . 17 1 1 A 53 53 TYR HA H 53 5.990 5.897 0.093 1 1 668 . 17 1 1 A 53 53 TYR C C 53 175.700 175.061 0.639 1 1 669 . 17 1 1 A 53 53 TYR CA C 53 56.800 56.748 0.052 1 1 670 . 17 1 1 A 53 53 TYR CB C 53 42.800 43.504 -0.704 1 1 675 . 17 1 1 A 53 53 TYR N N 53 118.000 118.968 -0.968 1 1 676 . 17 1 1 A 54 54 ALA H H 54 9.210 8.599 0.611 1 1 677 . 17 1 1 A 54 54 ALA HA H 54 5.280 5.239 0.041 1 1 681 . 17 1 1 A 54 54 ALA C C 54 175.800 176.317 -0.517 1 1 682 . 17 1 1 A 54 54 ALA CA C 54 50.900 51.245 -0.345 1 1 683 . 17 1 1 A 54 54 ALA CB C 54 23.800 23.346 0.454 1 1 684 . 17 1 1 A 54 54 ALA N N 54 122.000 122.806 -0.806 1 1 685 . 17 1 1 A 55 55 SER H H 55 8.620 8.826 -0.206 1 1 686 . 17 1 1 A 55 55 SER HA H 55 3.270 3.839 -0.569 1 1 689 . 17 1 1 A 55 55 SER C C 55 175.400 176.004 -0.604 1 1 690 . 17 1 1 A 55 55 SER CA C 55 59.100 59.077 0.023 1 1 691 . 17 1 1 A 55 55 SER CB C 55 63.200 63.710 -0.510 1 1 692 . 17 1 1 A 55 55 SER N N 55 117.400 116.128 1.272 1 1 693 . 17 1 1 A 56 56 LYS H H 56 7.630 8.356 -0.726 1 1 694 . 17 1 1 A 56 56 LYS HA H 56 3.750 4.246 -0.496 1 1 703 . 17 1 1 A 56 56 LYS C C 56 177.100 179.018 -1.918 1 1 704 . 17 1 1 A 56 56 LYS CA C 56 58.600 58.832 -0.232 1 1 705 . 17 1 1 A 56 56 LYS CB C 56 32.300 32.031 0.269 1 1 709 . 17 1 1 A 56 56 LYS N N 56 124.500 123.479 1.021 1 1 710 . 17 1 1 A 57 57 SER H H 57 7.670 7.936 -0.266 1 1 711 . 17 1 1 A 57 57 SER HA H 57 3.930 4.047 -0.117 1 1 714 . 17 1 1 A 57 57 SER C C 57 174.100 175.647 -1.547 1 1 715 . 17 1 1 A 57 57 SER CA C 57 60.700 61.041 -0.341 1 1 716 . 17 1 1 A 57 57 SER CB C 57 62.800 62.673 0.127 1 1 717 . 17 1 1 A 57 57 SER N N 57 112.000 115.629 -3.629 1 1 718 . 17 1 1 A 58 58 TYR H H 58 6.990 7.636 -0.646 1 1 719 . 17 1 1 A 58 58 TYR HA H 58 4.800 4.633 0.167 1 1 726 . 17 1 1 A 58 58 TYR C C 58 173.300 174.843 -1.543 1 1 727 . 17 1 1 A 58 58 TYR CA C 58 57.400 58.851 -1.451 1 1 728 . 17 1 1 A 58 58 TYR CB C 58 40.500 39.059 1.441 1 1 733 . 17 1 1 A 58 58 TYR N N 58 116.100 117.582 -1.482 1 1 734 . 17 1 1 A 59 59 ILE H H 59 7.300 7.361 -0.061 1 1 735 . 17 1 1 A 59 59 ILE HA H 59 4.790 4.761 0.029 1 1 745 . 17 1 1 A 59 59 ILE C C 59 174.500 174.304 0.196 1 1 746 . 17 1 1 A 59 59 ILE CA C 59 59.300 60.286 -0.986 1 1 747 . 17 1 1 A 59 59 ILE CB C 59 40.800 40.535 0.265 1 1 751 . 17 1 1 A 59 59 ILE N N 59 119.000 120.398 -1.398 1 1 752 . 17 1 1 A 60 60 THR H H 60 8.980 8.949 0.031 1 1 753 . 17 1 1 A 60 60 THR HA H 60 4.580 4.880 -0.300 1 1 758 . 17 1 1 A 60 60 THR C C 60 173.800 173.513 0.287 1 1 759 . 17 1 1 A 60 60 THR CA C 60 60.800 61.636 -0.836 1 1 760 . 17 1 1 A 60 60 THR CB C 60 71.100 70.811 0.289 1 1 762 . 17 1 1 A 60 60 THR N N 60 123.600 123.964 -0.364 1 1 763 . 17 1 1 A 61 61 ILE H H 61 8.680 8.588 0.092 1 1 764 . 17 1 1 A 61 61 ILE HA H 61 4.180 4.039 0.141 1 1 774 . 17 1 1 A 61 61 ILE C C 61 176.400 176.104 0.296 1 1 775 . 17 1 1 A 61 61 ILE CA C 61 61.800 61.116 0.684 1 1 776 . 17 1 1 A 61 61 ILE CB C 61 37.900 37.751 0.149 1 1 780 . 17 1 1 A 61 61 ILE N N 61 127.200 128.286 -1.086 1 1 781 . 17 1 1 A 62 62 VAL H H 62 8.370 8.591 -0.221 1 1 782 . 17 1 1 A 62 62 VAL HA H 62 4.140 3.651 0.489 1 1 790 . 17 1 1 A 62 62 VAL C C 62 175.200 176.435 -1.235 1 1 791 . 17 1 1 A 62 62 VAL CA C 62 61.800 63.655 -1.855 1 1 792 . 17 1 1 A 62 62 VAL CB C 62 33.200 31.650 1.550 1 1 795 . 17 1 1 A 62 62 VAL N N 62 126.600 127.081 -0.481 1 1 796 . 17 1 1 A 63 63 ASN H H 63 8.590 9.485 -0.895 1 1 797 . 17 1 1 A 63 63 ASN HA H 63 4.730 4.409 0.321 1 1 802 . 17 1 1 A 63 63 ASN C C 63 175.200 175.330 -0.130 1 1 803 . 17 1 1 A 63 63 ASN CA C 63 53.200 54.627 -1.427 1 1 804 . 17 1 1 A 63 63 ASN CB C 63 39.100 36.885 2.215 1 1 806 . 17 1 1 A 63 63 ASN N N 63 123.500 126.107 -2.607 1 1 808 . 17 1 1 A 64 64 GLU H H 64 8.620 8.167 0.453 1 1 809 . 17 1 1 A 64 64 GLU HA H 64 4.250 4.029 0.221 1 1 814 . 17 1 1 A 64 64 GLU C C 64 177.000 176.225 0.775 1 1 815 . 17 1 1 A 64 64 GLU CA C 64 57.100 57.174 -0.074 1 1 816 . 17 1 1 A 64 64 GLU CB C 64 30.400 27.421 2.979 1 1 818 . 17 1 1 A 64 64 GLU N N 64 122.700 116.485 6.215 1 1 819 . 17 1 1 A 65 65 GLY H H 65 8.490 8.424 0.066 1 1 820 . 17 1 1 A 65 65 GLY HA2 H 65 3.980 3.994 -0.014 1 1 821 . 17 1 1 A 65 65 GLY HA3 H 65 3.980 4.005 -0.025 1 1 822 . 17 1 1 A 65 65 GLY C C 65 174.300 173.579 0.721 1 1 823 . 17 1 1 A 65 65 GLY CA C 65 45.500 44.683 0.817 1 1 824 . 17 1 1 A 65 65 GLY N N 65 109.600 110.283 -0.683 1 1 825 . 17 1 1 A 66 66 SER H H 66 8.180 8.327 -0.147 1 1 826 . 17 1 1 A 66 66 SER HA H 66 4.450 4.862 -0.412 1 1 829 . 17 1 1 A 66 66 SER C C 66 174.900 174.256 0.644 1 1 830 . 17 1 1 A 66 66 SER CA C 66 58.300 57.088 1.212 1 1 831 . 17 1 1 A 66 66 SER CB C 66 63.700 63.572 0.128 1 1 832 . 17 1 1 A 66 66 SER N N 66 115.500 115.017 0.483 1 1 833 . 17 1 1 A 67 67 LEU H H 67 8.300 8.968 -0.668 1 1 834 . 17 1 1 A 67 67 LEU HA H 67 4.300 4.518 -0.218 1 1 844 . 17 1 1 A 67 67 LEU C C 67 177.500 176.676 0.824 1 1 845 . 17 1 1 A 67 67 LEU CA C 67 55.400 54.648 0.752 1 1 846 . 17 1 1 A 67 67 LEU CB C 67 42.200 42.609 -0.409 1 1 850 . 17 1 1 A 67 67 LEU N N 67 123.800 125.954 -2.154 1 1 851 . 17 1 1 A 68 68 GLU H H 68 8.270 7.626 0.644 1 1 852 . 17 1 1 A 68 68 GLU HA H 68 4.160 4.646 -0.486 1 1 857 . 17 1 1 A 68 68 GLU CA C 68 56.900 55.959 0.941 1 1 858 . 17 1 1 A 68 68 GLU CB C 68 30.100 32.148 -2.048 1 1 860 . 17 1 1 A 68 68 GLU N N 68 120.700 119.093 1.607 1 1 861 . 17 1 1 A 69 69 HIS C C 69 173.900 174.694 -0.794 1 1 862 . 17 1 1 A 70 70 HIS H H 70 8.140 7.772 0.368 1 1 863 . 17 1 1 A 70 70 HIS CA C 70 57.200 55.578 1.622 1 1 864 . 17 1 1 A 70 70 HIS CB C 70 30.200 31.002 -0.802 1 1 14 . 18 1 1 A 2 2 GLN H H 2 9.330 8.686 0.644 1 1 15 . 18 1 1 A 2 2 GLN HA H 2 5.000 4.946 0.054 1 1 22 . 18 1 1 A 2 2 GLN C C 2 174.500 175.462 -0.962 1 1 23 . 18 1 1 A 2 2 GLN CA C 2 55.500 54.552 0.948 1 1 24 . 18 1 1 A 2 2 GLN CB C 2 31.700 30.011 1.689 1 1 26 . 18 1 1 A 2 2 GLN N N 2 125.400 121.069 4.331 1 1 28 . 18 1 1 A 3 3 GLY H H 3 8.860 8.768 0.092 1 1 29 . 18 1 1 A 3 3 GLY HA2 H 3 3.070 4.108 -1.038 1 1 30 . 18 1 1 A 3 3 GLY HA3 H 3 5.250 4.117 1.133 1 1 31 . 18 1 1 A 3 3 GLY C C 3 171.800 172.505 -0.705 1 1 32 . 18 1 1 A 3 3 GLY CA C 3 44.300 44.372 -0.072 1 1 33 . 18 1 1 A 3 3 GLY N N 3 108.200 112.674 -4.474 1 1 34 . 18 1 1 A 4 4 VAL H H 4 9.060 8.689 0.371 1 1 35 . 18 1 1 A 4 4 VAL HA H 4 5.080 4.814 0.266 1 1 43 . 18 1 1 A 4 4 VAL C C 4 174.500 174.906 -0.406 1 1 44 . 18 1 1 A 4 4 VAL CA C 4 59.800 60.334 -0.534 1 1 45 . 18 1 1 A 4 4 VAL CB C 4 35.300 35.027 0.273 1 1 48 . 18 1 1 A 4 4 VAL N N 4 120.200 121.867 -1.667 1 1 49 . 18 1 1 A 5 5 VAL H H 5 8.750 8.284 0.466 1 1 50 . 18 1 1 A 5 5 VAL HA H 5 4.190 4.243 -0.053 1 1 58 . 18 1 1 A 5 5 VAL C C 5 175.800 175.184 0.616 1 1 59 . 18 1 1 A 5 5 VAL CA C 5 62.800 62.433 0.367 1 1 60 . 18 1 1 A 5 5 VAL CB C 5 31.900 31.877 0.023 1 1 63 . 18 1 1 A 5 5 VAL N N 5 128.600 127.815 0.785 1 1 64 . 18 1 1 A 6 6 LYS H H 6 8.830 8.685 0.145 1 1 65 . 18 1 1 A 6 6 LYS HA H 6 5.250 4.893 0.357 1 1 74 . 18 1 1 A 6 6 LYS C C 6 174.800 175.395 -0.595 1 1 75 . 18 1 1 A 6 6 LYS CA C 6 54.300 55.072 -0.772 1 1 76 . 18 1 1 A 6 6 LYS CB C 6 33.200 33.690 -0.490 1 1 80 . 18 1 1 A 6 6 LYS N N 6 131.400 127.476 3.924 1 1 81 . 18 1 1 A 7 7 VAL H H 7 8.270 8.509 -0.239 1 1 82 . 18 1 1 A 7 7 VAL HA H 7 4.640 4.848 -0.208 1 1 90 . 18 1 1 A 7 7 VAL C C 7 173.400 176.680 -3.280 1 1 91 . 18 1 1 A 7 7 VAL CA C 7 59.700 59.663 0.037 1 1 92 . 18 1 1 A 7 7 VAL CB C 7 35.400 35.367 0.033 1 1 95 . 18 1 1 A 7 7 VAL N N 7 119.000 123.124 -4.124 1 1 96 . 18 1 1 A 8 8 ASN H H 8 8.560 9.146 -0.586 1 1 97 . 18 1 1 A 8 8 ASN HA H 8 4.690 4.509 0.181 1 1 102 . 18 1 1 A 8 8 ASN C C 8 175.600 176.049 -0.449 1 1 103 . 18 1 1 A 8 8 ASN CA C 8 54.500 55.895 -1.395 1 1 104 . 18 1 1 A 8 8 ASN CB C 8 38.700 37.688 1.012 1 1 106 . 18 1 1 A 8 8 ASN N N 8 120.700 124.359 -3.659 1 1 108 . 18 1 1 A 9 9 SER H H 9 7.630 7.945 -0.315 1 1 109 . 18 1 1 A 9 9 SER HA H 9 4.450 4.729 -0.279 1 1 112 . 18 1 1 A 9 9 SER C C 9 172.800 174.673 -1.873 1 1 113 . 18 1 1 A 9 9 SER CA C 9 58.100 58.598 -0.498 1 1 114 . 18 1 1 A 9 9 SER CB C 9 63.500 64.377 -0.877 1 1 115 . 18 1 1 A 9 9 SER N N 9 112.800 109.190 3.610 1 1 116 . 18 1 1 A 10 10 ALA H H 10 8.330 7.700 0.630 1 1 117 . 18 1 1 A 10 10 ALA HA H 10 4.530 4.736 -0.206 1 1 121 . 18 1 1 A 10 10 ALA C C 10 175.300 175.000 0.300 1 1 122 . 18 1 1 A 10 10 ALA CA C 10 52.400 51.543 0.857 1 1 123 . 18 1 1 A 10 10 ALA CB C 10 20.900 23.004 -2.104 1 1 124 . 18 1 1 A 10 10 ALA N N 10 123.900 120.809 3.091 1 1 125 . 18 1 1 A 11 11 LEU H H 11 8.930 8.696 0.234 1 1 126 . 18 1 1 A 11 11 LEU HA H 11 4.530 5.074 -0.544 1 1 136 . 18 1 1 A 11 11 LEU C C 11 175.300 175.547 -0.247 1 1 137 . 18 1 1 A 11 11 LEU CA C 11 52.600 53.257 -0.657 1 1 138 . 18 1 1 A 11 11 LEU CB C 11 45.900 45.486 0.414 1 1 142 . 18 1 1 A 11 11 LEU N N 11 123.600 122.976 0.624 1 1 143 . 18 1 1 A 12 12 ASN H H 12 8.800 8.656 0.144 1 1 144 . 18 1 1 A 12 12 ASN HA H 12 5.030 4.873 0.157 1 1 149 . 18 1 1 A 12 12 ASN C C 12 174.000 175.260 -1.260 1 1 150 . 18 1 1 A 12 12 ASN CA C 12 53.800 53.402 0.398 1 1 151 . 18 1 1 A 12 12 ASN CB C 12 39.500 39.072 0.428 1 1 153 . 18 1 1 A 12 12 ASN N N 12 123.600 124.903 -1.303 1 1 155 . 18 1 1 A 13 13 MET H H 13 8.630 8.658 -0.028 1 1 156 . 18 1 1 A 13 13 MET HA H 13 4.970 5.017 -0.047 1 1 164 . 18 1 1 A 13 13 MET C C 13 176.000 175.691 0.309 1 1 165 . 18 1 1 A 13 13 MET CA C 13 54.900 54.305 0.595 1 1 166 . 18 1 1 A 13 13 MET CB C 13 35.200 34.436 0.764 1 1 169 . 18 1 1 A 13 13 MET N N 13 122.600 124.185 -1.585 1 1 170 . 18 1 1 A 14 14 ARG H H 14 9.730 8.533 1.197 1 1 171 . 18 1 1 A 14 14 ARG HA H 14 5.760 4.932 0.828 1 1 178 . 18 1 1 A 14 14 ARG C C 14 177.700 176.588 1.112 1 1 179 . 18 1 1 A 14 14 ARG CA C 14 54.900 54.078 0.822 1 1 180 . 18 1 1 A 14 14 ARG CB C 14 34.600 33.516 1.084 1 1 183 . 18 1 1 A 14 14 ARG N N 14 125.200 125.103 0.097 1 1 184 . 18 1 1 A 15 15 SER H H 15 9.010 8.823 0.187 1 1 185 . 18 1 1 A 15 15 SER HA H 15 4.580 4.573 0.007 1 1 188 . 18 1 1 A 15 15 SER C C 15 173.100 174.495 -1.395 1 1 189 . 18 1 1 A 15 15 SER CA C 15 59.100 59.175 -0.075 1 1 190 . 18 1 1 A 15 15 SER CB C 15 63.600 63.881 -0.281 1 1 191 . 18 1 1 A 15 15 SER N N 15 113.600 115.647 -2.047 1 1 192 . 18 1 1 A 16 16 GLY H H 16 6.940 7.592 -0.652 1 1 193 . 18 1 1 A 16 16 GLY HA2 H 16 1.050 3.360 -2.310 1 1 194 . 18 1 1 A 16 16 GLY HA3 H 16 3.010 3.511 -0.501 1 1 195 . 18 1 1 A 16 16 GLY CA C 16 43.700 44.492 -0.792 1 1 196 . 18 1 1 A 16 16 GLY N N 16 109.500 108.836 0.664 1 1 197 . 18 1 1 A 17 17 PRO HA H 17 3.070 3.245 -0.175 1 1 204 . 18 1 1 A 17 17 PRO C C 17 172.400 174.940 -2.540 1 1 205 . 18 1 1 A 17 17 PRO CA C 17 60.200 61.407 -1.207 1 1 206 . 18 1 1 A 17 17 PRO CB C 17 28.300 28.970 -0.670 1 1 209 . 18 1 1 A 18 18 GLY H H 18 6.650 6.458 0.192 1 1 210 . 18 1 1 A 18 18 GLY HA2 H 18 3.630 3.904 -0.274 1 1 211 . 18 1 1 A 18 18 GLY HA3 H 18 4.010 4.002 0.008 1 1 212 . 18 1 1 A 18 18 GLY C C 18 173.200 174.439 -1.239 1 1 213 . 18 1 1 A 18 18 GLY CA C 18 46.200 45.444 0.756 1 1 214 . 18 1 1 A 18 18 GLY N N 18 110.400 109.669 0.731 1 1 215 . 18 1 1 A 19 19 SER H H 19 8.960 9.125 -0.165 1 1 216 . 18 1 1 A 19 19 SER HA H 19 4.200 4.444 -0.244 1 1 219 . 18 1 1 A 19 19 SER C C 19 173.600 176.187 -2.587 1 1 220 . 18 1 1 A 19 19 SER CA C 19 60.600 61.162 -0.562 1 1 221 . 18 1 1 A 19 19 SER CB C 19 63.200 63.479 -0.279 1 1 222 . 18 1 1 A 19 19 SER N N 19 115.800 118.519 -2.719 1 1 223 . 18 1 1 A 20 20 ASN H H 20 8.720 8.063 0.657 1 1 224 . 18 1 1 A 20 20 ASN HA H 20 4.560 4.734 -0.174 1 1 229 . 18 1 1 A 20 20 ASN C C 20 175.300 177.875 -2.575 1 1 230 . 18 1 1 A 20 20 ASN CA C 20 53.300 55.091 -1.791 1 1 231 . 18 1 1 A 20 20 ASN CB C 20 37.300 38.308 -1.008 1 1 233 . 18 1 1 A 20 20 ASN N N 20 115.000 120.907 -5.907 1 1 235 . 18 1 1 A 21 21 TYR H H 21 7.040 8.028 -0.988 1 1 236 . 18 1 1 A 21 21 TYR HA H 21 4.290 4.249 0.041 1 1 243 . 18 1 1 A 21 21 TYR C C 21 175.700 176.397 -0.697 1 1 244 . 18 1 1 A 21 21 TYR CA C 21 58.800 60.716 -1.916 1 1 245 . 18 1 1 A 21 21 TYR CB C 21 39.400 38.717 0.683 1 1 250 . 18 1 1 A 21 21 TYR N N 21 119.200 116.816 2.384 1 1 251 . 18 1 1 A 22 22 GLY H H 22 8.450 7.799 0.651 1 1 252 . 18 1 1 A 22 22 GLY HA2 H 22 3.820 4.070 -0.250 1 1 253 . 18 1 1 A 22 22 GLY HA3 H 22 4.090 4.072 0.018 1 1 254 . 18 1 1 A 22 22 GLY C C 22 172.700 172.610 0.090 1 1 255 . 18 1 1 A 22 22 GLY CA C 22 45.300 44.599 0.701 1 1 256 . 18 1 1 A 22 22 GLY N N 22 107.800 105.574 2.226 1 1 257 . 18 1 1 A 23 23 VAL H H 23 8.470 8.415 0.055 1 1 258 . 18 1 1 A 23 23 VAL HA H 23 4.320 4.295 0.025 1 1 266 . 18 1 1 A 23 23 VAL C C 23 178.000 176.697 1.303 1 1 267 . 18 1 1 A 23 23 VAL CA C 23 63.700 62.280 1.420 1 1 268 . 18 1 1 A 23 23 VAL CB C 23 32.700 32.424 0.276 1 1 271 . 18 1 1 A 23 23 VAL N N 23 120.200 121.243 -1.043 1 1 272 . 18 1 1 A 24 24 ILE H H 24 9.120 8.667 0.453 1 1 273 . 18 1 1 A 24 24 ILE HA H 24 4.740 4.642 0.098 1 1 283 . 18 1 1 A 24 24 ILE C C 24 175.300 175.703 -0.403 1 1 284 . 18 1 1 A 24 24 ILE CA C 24 60.500 60.853 -0.353 1 1 285 . 18 1 1 A 24 24 ILE CB C 24 39.900 38.955 0.945 1 1 289 . 18 1 1 A 24 24 ILE N N 24 120.900 123.581 -2.681 1 1 290 . 18 1 1 A 25 25 GLY H H 25 7.770 7.511 0.259 1 1 291 . 18 1 1 A 25 25 GLY HA2 H 25 4.130 4.131 -0.001 1 1 292 . 18 1 1 A 25 25 GLY HA3 H 25 4.310 4.136 0.174 1 1 293 . 18 1 1 A 25 25 GLY C C 25 171.100 171.266 -0.166 1 1 294 . 18 1 1 A 25 25 GLY CA C 25 45.500 45.859 -0.359 1 1 295 . 18 1 1 A 25 25 GLY N N 25 109.200 109.059 0.141 1 1 296 . 18 1 1 A 26 26 THR H H 26 8.440 8.418 0.022 1 1 297 . 18 1 1 A 26 26 THR HA H 26 5.080 5.099 -0.019 1 1 302 . 18 1 1 A 26 26 THR C C 26 173.000 173.536 -0.536 1 1 303 . 18 1 1 A 26 26 THR CA C 26 61.400 61.213 0.187 1 1 304 . 18 1 1 A 26 26 THR CB C 26 72.200 71.870 0.330 1 1 306 . 18 1 1 A 26 26 THR N N 26 113.900 114.954 -1.054 1 1 307 . 18 1 1 A 27 27 LEU H H 27 9.180 9.062 0.118 1 1 308 . 18 1 1 A 27 27 LEU HA H 27 4.480 5.001 -0.521 1 1 318 . 18 1 1 A 27 27 LEU C C 27 174.900 175.573 -0.673 1 1 319 . 18 1 1 A 27 27 LEU CA C 27 53.400 53.168 0.232 1 1 320 . 18 1 1 A 27 27 LEU CB C 27 45.000 44.922 0.078 1 1 324 . 18 1 1 A 27 27 LEU N N 27 125.600 124.930 0.670 1 1 325 . 18 1 1 A 28 28 ARG H H 28 9.280 8.544 0.736 1 1 326 . 18 1 1 A 28 28 ARG HA H 28 4.510 4.649 -0.139 1 1 333 . 18 1 1 A 28 28 ARG C C 28 175.300 175.874 -0.574 1 1 334 . 18 1 1 A 28 28 ARG CA C 28 53.300 54.200 -0.900 1 1 335 . 18 1 1 A 28 28 ARG CB C 28 33.100 32.186 0.914 1 1 338 . 18 1 1 A 28 28 ARG N N 28 120.600 121.273 -0.673 1 1 339 . 18 1 1 A 29 29 ASN H H 29 8.360 8.694 -0.334 1 1 340 . 18 1 1 A 29 29 ASN HA H 29 4.070 4.594 -0.524 1 1 345 . 18 1 1 A 29 29 ASN C C 29 176.500 175.115 1.385 1 1 346 . 18 1 1 A 29 29 ASN CA C 29 56.100 53.617 2.483 1 1 347 . 18 1 1 A 29 29 ASN CB C 29 39.300 38.574 0.726 1 1 349 . 18 1 1 A 29 29 ASN N N 29 117.200 119.808 -2.608 1 1 351 . 18 1 1 A 30 30 ASN H H 30 9.290 8.688 0.602 1 1 352 . 18 1 1 A 30 30 ASN HA H 30 4.300 4.255 0.045 1 1 357 . 18 1 1 A 30 30 ASN C C 30 175.100 173.494 1.606 1 1 358 . 18 1 1 A 30 30 ASN CA C 30 55.500 54.311 1.189 1 1 359 . 18 1 1 A 30 30 ASN CB C 30 37.300 37.111 0.189 1 1 361 . 18 1 1 A 30 30 ASN N N 30 118.900 115.389 3.511 1 1 363 . 18 1 1 A 31 31 ASP H H 31 8.210 7.897 0.313 1 1 364 . 18 1 1 A 31 31 ASP HA H 31 4.700 4.786 -0.086 1 1 367 . 18 1 1 A 31 31 ASP C C 31 175.300 175.628 -0.328 1 1 368 . 18 1 1 A 31 31 ASP CA C 31 56.500 53.616 2.884 1 1 369 . 18 1 1 A 31 31 ASP CB C 31 41.200 41.243 -0.043 1 1 370 . 18 1 1 A 31 31 ASP N N 31 122.300 118.697 3.603 1 1 371 . 18 1 1 A 32 32 LYS H H 32 8.510 8.495 0.015 1 1 372 . 18 1 1 A 32 32 LYS HA H 32 5.140 4.397 0.743 1 1 381 . 18 1 1 A 32 32 LYS C C 32 176.600 176.600 0.000 1 1 382 . 18 1 1 A 32 32 LYS CA C 32 55.400 56.537 -1.137 1 1 383 . 18 1 1 A 32 32 LYS CB C 32 33.500 32.804 0.696 1 1 387 . 18 1 1 A 32 32 LYS N N 32 121.500 127.081 -5.581 1 1 388 . 18 1 1 A 33 33 VAL H H 33 8.650 8.608 0.042 1 1 389 . 18 1 1 A 33 33 VAL HA H 33 5.020 4.953 0.067 1 1 397 . 18 1 1 A 33 33 VAL C C 33 174.200 174.310 -0.110 1 1 398 . 18 1 1 A 33 33 VAL CA C 33 58.200 58.721 -0.521 1 1 399 . 18 1 1 A 33 33 VAL CB C 33 34.900 35.863 -0.963 1 1 402 . 18 1 1 A 33 33 VAL N N 33 113.500 117.749 -4.249 1 1 403 . 18 1 1 A 34 34 GLU H H 34 8.070 8.688 -0.618 1 1 404 . 18 1 1 A 34 34 GLU HA H 34 4.780 4.839 -0.059 1 1 409 . 18 1 1 A 34 34 GLU C C 34 176.000 175.347 0.653 1 1 410 . 18 1 1 A 34 34 GLU CA C 34 55.000 55.666 -0.666 1 1 411 . 18 1 1 A 34 34 GLU CB C 34 31.400 30.916 0.484 1 1 413 . 18 1 1 A 34 34 GLU N N 34 122.300 120.743 1.557 1 1 414 . 18 1 1 A 35 35 ILE H H 35 8.610 8.566 0.044 1 1 415 . 18 1 1 A 35 35 ILE HA H 35 4.100 4.613 -0.513 1 1 425 . 18 1 1 A 35 35 ILE C C 35 175.600 175.349 0.251 1 1 426 . 18 1 1 A 35 35 ILE CA C 35 61.200 61.037 0.163 1 1 427 . 18 1 1 A 35 35 ILE CB C 35 38.800 38.148 0.652 1 1 431 . 18 1 1 A 35 35 ILE N N 35 125.500 125.226 0.274 1 1 432 . 18 1 1 A 36 36 ILE H H 36 9.450 8.776 0.674 1 1 433 . 18 1 1 A 36 36 ILE HA H 36 3.990 4.094 -0.104 1 1 443 . 18 1 1 A 36 36 ILE C C 36 176.500 176.494 0.006 1 1 444 . 18 1 1 A 36 36 ILE CA C 36 63.100 63.321 -0.221 1 1 445 . 18 1 1 A 36 36 ILE CB C 36 38.800 38.195 0.605 1 1 449 . 18 1 1 A 36 36 ILE N N 36 129.500 128.746 0.754 1 1 450 . 18 1 1 A 37 37 LYS H H 37 7.630 7.705 -0.075 1 1 451 . 18 1 1 A 37 37 LYS HA H 37 4.670 4.807 -0.137 1 1 460 . 18 1 1 A 37 37 LYS C C 37 173.100 173.919 -0.819 1 1 461 . 18 1 1 A 37 37 LYS CA C 37 55.700 55.060 0.640 1 1 462 . 18 1 1 A 37 37 LYS CB C 37 34.700 35.664 -0.964 1 1 466 . 18 1 1 A 37 37 LYS N N 37 113.300 115.204 -1.904 1 1 467 . 18 1 1 A 38 38 GLU H H 38 8.800 8.979 -0.179 1 1 468 . 18 1 1 A 38 38 GLU HA H 38 5.360 5.160 0.200 1 1 473 . 18 1 1 A 38 38 GLU C C 38 175.300 175.269 0.031 1 1 474 . 18 1 1 A 38 38 GLU CA C 38 55.400 55.216 0.184 1 1 475 . 18 1 1 A 38 38 GLU CB C 38 32.500 32.095 0.405 1 1 477 . 18 1 1 A 38 38 GLU N N 38 122.000 122.280 -0.280 1 1 478 . 18 1 1 A 39 39 VAL H H 39 9.550 9.106 0.444 1 1 479 . 18 1 1 A 39 39 VAL HA H 39 4.360 4.507 -0.147 1 1 487 . 18 1 1 A 39 39 VAL C C 39 174.500 175.996 -1.496 1 1 488 . 18 1 1 A 39 39 VAL CA C 39 61.600 61.106 0.494 1 1 489 . 18 1 1 A 39 39 VAL CB C 39 34.400 34.402 -0.002 1 1 492 . 18 1 1 A 39 39 VAL N N 39 126.000 126.349 -0.349 1 1 493 . 18 1 1 A 40 40 ASP H H 40 8.960 9.538 -0.578 1 1 494 . 18 1 1 A 40 40 ASP HA H 40 4.340 4.286 0.054 1 1 497 . 18 1 1 A 40 40 ASP C C 40 175.800 175.339 0.461 1 1 498 . 18 1 1 A 40 40 ASP CA C 40 55.900 55.129 0.771 1 1 499 . 18 1 1 A 40 40 ASP CB C 40 40.700 39.698 1.002 1 1 500 . 18 1 1 A 40 40 ASP N N 40 125.700 127.607 -1.907 1 1 501 . 18 1 1 A 41 41 GLY H H 41 8.870 8.278 0.592 1 1 502 . 18 1 1 A 41 41 GLY HA2 H 41 3.510 3.763 -0.253 1 1 503 . 18 1 1 A 41 41 GLY HA3 H 41 4.190 3.882 0.308 1 1 504 . 18 1 1 A 41 41 GLY C C 41 173.900 174.172 -0.272 1 1 505 . 18 1 1 A 41 41 GLY CA C 41 45.700 45.408 0.292 1 1 506 . 18 1 1 A 41 41 GLY N N 41 105.500 103.762 1.738 1 1 507 . 18 1 1 A 42 42 TRP H H 42 8.580 8.269 0.311 1 1 508 . 18 1 1 A 42 42 TRP HA H 42 4.700 4.611 0.089 1 1 517 . 18 1 1 A 42 42 TRP C C 42 175.300 175.811 -0.511 1 1 518 . 18 1 1 A 42 42 TRP CA C 42 56.300 57.577 -1.277 1 1 519 . 18 1 1 A 42 42 TRP CB C 42 31.300 30.360 0.940 1 1 525 . 18 1 1 A 42 42 TRP N N 42 122.900 120.858 2.042 1 1 527 . 18 1 1 A 43 43 TYR H H 43 9.400 8.667 0.733 1 1 528 . 18 1 1 A 43 43 TYR HA H 43 5.630 5.263 0.367 1 1 535 . 18 1 1 A 43 43 TYR C C 43 175.800 175.821 -0.021 1 1 536 . 18 1 1 A 43 43 TYR CA C 43 55.900 57.396 -1.496 1 1 537 . 18 1 1 A 43 43 TYR CB C 43 40.200 40.016 0.184 1 1 542 . 18 1 1 A 43 43 TYR N N 43 119.000 122.574 -3.574 1 1 543 . 18 1 1 A 44 44 GLU H H 44 9.110 9.214 -0.104 1 1 544 . 18 1 1 A 44 44 GLU HA H 44 4.040 4.201 -0.161 1 1 549 . 18 1 1 A 44 44 GLU C C 44 175.500 176.373 -0.873 1 1 550 . 18 1 1 A 44 44 GLU CA C 44 55.500 56.288 -0.788 1 1 551 . 18 1 1 A 44 44 GLU CB C 44 31.200 30.660 0.540 1 1 553 . 18 1 1 A 44 44 GLU N N 44 125.600 124.664 0.936 1 1 554 . 18 1 1 A 45 45 ILE H H 45 9.300 8.837 0.463 1 1 555 . 18 1 1 A 45 45 ILE HA H 45 5.550 5.254 0.296 1 1 565 . 18 1 1 A 45 45 ILE C C 45 173.700 173.524 0.176 1 1 566 . 18 1 1 A 45 45 ILE CA C 45 58.300 58.563 -0.263 1 1 567 . 18 1 1 A 45 45 ILE CB C 45 43.200 42.417 0.783 1 1 571 . 18 1 1 A 45 45 ILE N N 45 122.700 120.705 1.995 1 1 572 . 18 1 1 A 46 46 ARG H H 46 8.730 8.442 0.288 1 1 573 . 18 1 1 A 46 46 ARG HA H 46 5.310 5.387 -0.077 1 1 580 . 18 1 1 A 46 46 ARG C C 46 176.400 174.826 1.574 1 1 581 . 18 1 1 A 46 46 ARG CA C 46 54.400 54.302 0.098 1 1 582 . 18 1 1 A 46 46 ARG CB C 46 33.600 33.211 0.389 1 1 585 . 18 1 1 A 46 46 ARG N N 46 118.900 123.020 -4.120 1 1 586 . 18 1 1 A 47 47 PHE H H 47 9.080 9.403 -0.323 1 1 587 . 18 1 1 A 47 47 PHE HA H 47 4.850 4.840 0.010 1 1 595 . 18 1 1 A 47 47 PHE C C 47 174.500 174.749 -0.249 1 1 596 . 18 1 1 A 47 47 PHE CA C 47 57.300 57.733 -0.433 1 1 597 . 18 1 1 A 47 47 PHE CB C 47 42.500 43.017 -0.517 1 1 603 . 18 1 1 A 47 47 PHE N N 47 126.500 127.140 -0.640 1 1 604 . 18 1 1 A 48 48 ASN H H 48 9.140 8.763 0.377 1 1 605 . 18 1 1 A 48 48 ASN HA H 48 4.080 4.172 -0.092 1 1 610 . 18 1 1 A 48 48 ASN C C 48 175.100 174.779 0.321 1 1 611 . 18 1 1 A 48 48 ASN CA C 48 53.500 53.831 -0.331 1 1 612 . 18 1 1 A 48 48 ASN CB C 48 37.100 37.321 -0.221 1 1 614 . 18 1 1 A 48 48 ASN N N 48 128.500 125.387 3.113 1 1 616 . 18 1 1 A 49 49 GLY H H 49 8.600 8.599 0.001 1 1 617 . 18 1 1 A 49 49 GLY HA2 H 49 3.510 3.836 -0.326 1 1 618 . 18 1 1 A 49 49 GLY HA3 H 49 4.110 3.838 0.272 1 1 619 . 18 1 1 A 49 49 GLY C C 49 173.600 173.735 -0.135 1 1 620 . 18 1 1 A 49 49 GLY CA C 49 45.600 45.697 -0.097 1 1 621 . 18 1 1 A 49 49 GLY N N 49 103.100 103.409 -0.309 1 1 622 . 18 1 1 A 50 50 LYS H H 50 7.850 8.058 -0.208 1 1 623 . 18 1 1 A 50 50 LYS HA H 50 4.620 4.860 -0.240 1 1 632 . 18 1 1 A 50 50 LYS C C 50 174.600 175.383 -0.783 1 1 633 . 18 1 1 A 50 50 LYS CA C 50 54.900 54.233 0.667 1 1 634 . 18 1 1 A 50 50 LYS CB C 50 35.100 35.270 -0.170 1 1 638 . 18 1 1 A 50 50 LYS N N 50 121.700 120.206 1.494 1 1 639 . 18 1 1 A 51 51 VAL H H 51 8.120 8.695 -0.575 1 1 640 . 18 1 1 A 51 51 VAL HA H 51 5.100 4.621 0.479 1 1 648 . 18 1 1 A 51 51 VAL C C 51 176.100 175.585 0.515 1 1 649 . 18 1 1 A 51 51 VAL CA C 51 60.700 61.076 -0.376 1 1 650 . 18 1 1 A 51 51 VAL CB C 51 33.400 31.912 1.488 1 1 653 . 18 1 1 A 51 51 VAL N N 51 122.100 122.606 -0.506 1 1 654 . 18 1 1 A 52 52 GLY H H 52 8.430 9.114 -0.684 1 1 655 . 18 1 1 A 52 52 GLY HA2 H 52 3.760 4.274 -0.514 1 1 656 . 18 1 1 A 52 52 GLY HA3 H 52 4.230 4.336 -0.106 1 1 657 . 18 1 1 A 52 52 GLY C C 52 170.300 172.433 -2.133 1 1 658 . 18 1 1 A 52 52 GLY CA C 52 45.600 44.341 1.259 1 1 659 . 18 1 1 A 52 52 GLY N N 52 113.100 114.659 -1.559 1 1 660 . 18 1 1 A 53 53 TYR H H 53 9.260 8.741 0.519 1 1 661 . 18 1 1 A 53 53 TYR HA H 53 5.990 5.781 0.209 1 1 668 . 18 1 1 A 53 53 TYR C C 53 175.700 174.715 0.985 1 1 669 . 18 1 1 A 53 53 TYR CA C 53 56.800 56.773 0.027 1 1 670 . 18 1 1 A 53 53 TYR CB C 53 42.800 43.503 -0.703 1 1 675 . 18 1 1 A 53 53 TYR N N 53 118.000 119.036 -1.036 1 1 676 . 18 1 1 A 54 54 ALA H H 54 9.210 8.532 0.678 1 1 677 . 18 1 1 A 54 54 ALA HA H 54 5.280 5.008 0.272 1 1 681 . 18 1 1 A 54 54 ALA C C 54 175.800 175.945 -0.145 1 1 682 . 18 1 1 A 54 54 ALA CA C 54 50.900 51.058 -0.158 1 1 683 . 18 1 1 A 54 54 ALA CB C 54 23.800 23.343 0.457 1 1 684 . 18 1 1 A 54 54 ALA N N 54 122.000 122.472 -0.472 1 1 685 . 18 1 1 A 55 55 SER H H 55 8.620 8.506 0.114 1 1 686 . 18 1 1 A 55 55 SER HA H 55 3.270 3.812 -0.542 1 1 689 . 18 1 1 A 55 55 SER C C 55 175.400 175.803 -0.403 1 1 690 . 18 1 1 A 55 55 SER CA C 55 59.100 58.818 0.282 1 1 691 . 18 1 1 A 55 55 SER CB C 55 63.200 63.400 -0.200 1 1 692 . 18 1 1 A 55 55 SER N N 55 117.400 115.712 1.688 1 1 693 . 18 1 1 A 56 56 LYS H H 56 7.630 8.575 -0.945 1 1 694 . 18 1 1 A 56 56 LYS HA H 56 3.750 4.242 -0.492 1 1 703 . 18 1 1 A 56 56 LYS C C 56 177.100 178.444 -1.344 1 1 704 . 18 1 1 A 56 56 LYS CA C 56 58.600 59.141 -0.541 1 1 705 . 18 1 1 A 56 56 LYS CB C 56 32.300 32.204 0.096 1 1 709 . 18 1 1 A 56 56 LYS N N 56 124.500 124.209 0.291 1 1 710 . 18 1 1 A 57 57 SER H H 57 7.670 8.124 -0.454 1 1 711 . 18 1 1 A 57 57 SER HA H 57 3.930 4.212 -0.282 1 1 714 . 18 1 1 A 57 57 SER C C 57 174.100 175.332 -1.232 1 1 715 . 18 1 1 A 57 57 SER CA C 57 60.700 60.593 0.107 1 1 716 . 18 1 1 A 57 57 SER CB C 57 62.800 63.248 -0.448 1 1 717 . 18 1 1 A 57 57 SER N N 57 112.000 114.134 -2.134 1 1 718 . 18 1 1 A 58 58 TYR H H 58 6.990 7.892 -0.902 1 1 719 . 18 1 1 A 58 58 TYR HA H 58 4.800 4.702 0.098 1 1 726 . 18 1 1 A 58 58 TYR C C 58 173.300 174.783 -1.483 1 1 727 . 18 1 1 A 58 58 TYR CA C 58 57.400 57.492 -0.092 1 1 728 . 18 1 1 A 58 58 TYR CB C 58 40.500 38.751 1.749 1 1 733 . 18 1 1 A 58 58 TYR N N 58 116.100 119.350 -3.250 1 1 734 . 18 1 1 A 59 59 ILE H H 59 7.300 7.459 -0.159 1 1 735 . 18 1 1 A 59 59 ILE HA H 59 4.790 4.774 0.016 1 1 745 . 18 1 1 A 59 59 ILE C C 59 174.500 174.219 0.281 1 1 746 . 18 1 1 A 59 59 ILE CA C 59 59.300 60.279 -0.979 1 1 747 . 18 1 1 A 59 59 ILE CB C 59 40.800 41.136 -0.336 1 1 751 . 18 1 1 A 59 59 ILE N N 59 119.000 120.366 -1.366 1 1 752 . 18 1 1 A 60 60 THR H H 60 8.980 8.737 0.243 1 1 753 . 18 1 1 A 60 60 THR HA H 60 4.580 4.908 -0.328 1 1 758 . 18 1 1 A 60 60 THR C C 60 173.800 173.375 0.425 1 1 759 . 18 1 1 A 60 60 THR CA C 60 60.800 61.825 -1.025 1 1 760 . 18 1 1 A 60 60 THR CB C 60 71.100 70.515 0.585 1 1 762 . 18 1 1 A 60 60 THR N N 60 123.600 123.925 -0.325 1 1 763 . 18 1 1 A 61 61 ILE H H 61 8.680 8.750 -0.070 1 1 764 . 18 1 1 A 61 61 ILE HA H 61 4.180 4.338 -0.158 1 1 774 . 18 1 1 A 61 61 ILE C C 61 176.400 175.903 0.497 1 1 775 . 18 1 1 A 61 61 ILE CA C 61 61.800 60.014 1.786 1 1 776 . 18 1 1 A 61 61 ILE CB C 61 37.900 37.927 -0.027 1 1 780 . 18 1 1 A 61 61 ILE N N 61 127.200 128.576 -1.376 1 1 781 . 18 1 1 A 62 62 VAL H H 62 8.370 8.648 -0.278 1 1 782 . 18 1 1 A 62 62 VAL HA H 62 4.140 3.998 0.142 1 1 790 . 18 1 1 A 62 62 VAL C C 62 175.200 176.843 -1.643 1 1 791 . 18 1 1 A 62 62 VAL CA C 62 61.800 62.323 -0.523 1 1 792 . 18 1 1 A 62 62 VAL CB C 62 33.200 32.298 0.902 1 1 795 . 18 1 1 A 62 62 VAL N N 62 126.600 127.980 -1.380 1 1 796 . 18 1 1 A 63 63 ASN H H 63 8.590 9.103 -0.513 1 1 797 . 18 1 1 A 63 63 ASN HA H 63 4.730 4.330 0.400 1 1 802 . 18 1 1 A 63 63 ASN C C 63 175.200 174.656 0.544 1 1 803 . 18 1 1 A 63 63 ASN CA C 63 53.200 53.866 -0.666 1 1 804 . 18 1 1 A 63 63 ASN CB C 63 39.100 36.980 2.120 1 1 806 . 18 1 1 A 63 63 ASN N N 63 123.500 124.569 -1.069 1 1 808 . 18 1 1 A 64 64 GLU H H 64 8.620 7.924 0.696 1 1 809 . 18 1 1 A 64 64 GLU HA H 64 4.250 4.249 0.001 1 1 814 . 18 1 1 A 64 64 GLU C C 64 177.000 177.188 -0.188 1 1 815 . 18 1 1 A 64 64 GLU CA C 64 57.100 57.804 -0.704 1 1 816 . 18 1 1 A 64 64 GLU CB C 64 30.400 30.284 0.116 1 1 818 . 18 1 1 A 64 64 GLU N N 64 122.700 119.403 3.297 1 1 819 . 18 1 1 A 65 65 GLY H H 65 8.490 8.698 -0.208 1 1 820 . 18 1 1 A 65 65 GLY HA2 H 65 3.980 3.957 0.023 1 1 821 . 18 1 1 A 65 65 GLY HA3 H 65 3.980 3.960 0.020 1 1 822 . 18 1 1 A 65 65 GLY C C 65 174.300 174.738 -0.438 1 1 823 . 18 1 1 A 65 65 GLY CA C 65 45.500 45.677 -0.177 1 1 824 . 18 1 1 A 65 65 GLY N N 65 109.600 111.450 -1.850 1 1 825 . 18 1 1 A 66 66 SER H H 66 8.180 8.665 -0.485 1 1 826 . 18 1 1 A 66 66 SER HA H 66 4.450 4.043 0.407 1 1 829 . 18 1 1 A 66 66 SER C C 66 174.900 173.760 1.140 1 1 830 . 18 1 1 A 66 66 SER CA C 66 58.300 58.744 -0.444 1 1 831 . 18 1 1 A 66 66 SER CB C 66 63.700 62.011 1.689 1 1 832 . 18 1 1 A 66 66 SER N N 66 115.500 114.807 0.693 1 1 833 . 18 1 1 A 67 67 LEU H H 67 8.300 7.998 0.302 1 1 834 . 18 1 1 A 67 67 LEU HA H 67 4.300 4.642 -0.342 1 1 844 . 18 1 1 A 67 67 LEU C C 67 177.500 176.290 1.210 1 1 845 . 18 1 1 A 67 67 LEU CA C 67 55.400 54.288 1.112 1 1 846 . 18 1 1 A 67 67 LEU CB C 67 42.200 42.977 -0.777 1 1 850 . 18 1 1 A 67 67 LEU N N 67 123.800 124.197 -0.397 1 1 851 . 18 1 1 A 68 68 GLU H H 68 8.270 9.038 -0.768 1 1 852 . 18 1 1 A 68 68 GLU HA H 68 4.160 5.159 -0.999 1 1 857 . 18 1 1 A 68 68 GLU CA C 68 56.900 55.228 1.672 1 1 858 . 18 1 1 A 68 68 GLU CB C 68 30.100 32.486 -2.386 1 1 860 . 18 1 1 A 68 68 GLU N N 68 120.700 118.568 2.132 1 1 861 . 18 1 1 A 69 69 HIS C C 69 173.900 175.148 -1.248 1 1 862 . 18 1 1 A 70 70 HIS H H 70 8.140 7.324 0.816 1 1 863 . 18 1 1 A 70 70 HIS CA C 70 57.200 56.406 0.794 1 1 864 . 18 1 1 A 70 70 HIS CB C 70 30.200 30.421 -0.221 1 1 14 . 19 1 1 A 2 2 GLN H H 2 9.330 8.937 0.393 1 1 15 . 19 1 1 A 2 2 GLN HA H 2 5.000 4.991 0.009 1 1 22 . 19 1 1 A 2 2 GLN C C 2 174.500 175.630 -1.130 1 1 23 . 19 1 1 A 2 2 GLN CA C 2 55.500 54.212 1.288 1 1 24 . 19 1 1 A 2 2 GLN CB C 2 31.700 31.313 0.387 1 1 26 . 19 1 1 A 2 2 GLN N N 2 125.400 125.244 0.156 1 1 28 . 19 1 1 A 3 3 GLY H H 3 8.860 8.645 0.215 1 1 29 . 19 1 1 A 3 3 GLY HA2 H 3 3.070 4.080 -1.010 1 1 30 . 19 1 1 A 3 3 GLY HA3 H 3 5.250 4.091 1.159 1 1 31 . 19 1 1 A 3 3 GLY C C 3 171.800 172.754 -0.954 1 1 32 . 19 1 1 A 3 3 GLY CA C 3 44.300 44.610 -0.310 1 1 33 . 19 1 1 A 3 3 GLY N N 3 108.200 111.723 -3.523 1 1 34 . 19 1 1 A 4 4 VAL H H 4 9.060 8.550 0.510 1 1 35 . 19 1 1 A 4 4 VAL HA H 4 5.080 4.831 0.249 1 1 43 . 19 1 1 A 4 4 VAL C C 4 174.500 174.768 -0.268 1 1 44 . 19 1 1 A 4 4 VAL CA C 4 59.800 60.634 -0.834 1 1 45 . 19 1 1 A 4 4 VAL CB C 4 35.300 34.899 0.401 1 1 48 . 19 1 1 A 4 4 VAL N N 4 120.200 121.755 -1.555 1 1 49 . 19 1 1 A 5 5 VAL H H 5 8.750 8.741 0.009 1 1 50 . 19 1 1 A 5 5 VAL HA H 5 4.190 4.704 -0.514 1 1 58 . 19 1 1 A 5 5 VAL C C 5 175.800 174.301 1.499 1 1 59 . 19 1 1 A 5 5 VAL CA C 5 62.800 61.715 1.085 1 1 60 . 19 1 1 A 5 5 VAL CB C 5 31.900 32.420 -0.520 1 1 63 . 19 1 1 A 5 5 VAL N N 5 128.600 128.372 0.228 1 1 64 . 19 1 1 A 6 6 LYS H H 6 8.830 8.632 0.198 1 1 65 . 19 1 1 A 6 6 LYS HA H 6 5.250 5.308 -0.058 1 1 74 . 19 1 1 A 6 6 LYS C C 6 174.800 175.554 -0.754 1 1 75 . 19 1 1 A 6 6 LYS CA C 6 54.300 54.740 -0.440 1 1 76 . 19 1 1 A 6 6 LYS CB C 6 33.200 35.527 -2.327 1 1 80 . 19 1 1 A 6 6 LYS N N 6 131.400 129.094 2.306 1 1 81 . 19 1 1 A 7 7 VAL H H 7 8.270 9.049 -0.779 1 1 82 . 19 1 1 A 7 7 VAL HA H 7 4.640 4.788 -0.148 1 1 90 . 19 1 1 A 7 7 VAL C C 7 173.400 176.227 -2.827 1 1 91 . 19 1 1 A 7 7 VAL CA C 7 59.700 60.032 -0.332 1 1 92 . 19 1 1 A 7 7 VAL CB C 7 35.400 35.525 -0.125 1 1 95 . 19 1 1 A 7 7 VAL N N 7 119.000 126.702 -7.702 1 1 96 . 19 1 1 A 8 8 ASN H H 8 8.560 9.008 -0.448 1 1 97 . 19 1 1 A 8 8 ASN HA H 8 4.690 4.618 0.072 1 1 102 . 19 1 1 A 8 8 ASN C C 8 175.600 174.782 0.818 1 1 103 . 19 1 1 A 8 8 ASN CA C 8 54.500 54.198 0.302 1 1 104 . 19 1 1 A 8 8 ASN CB C 8 38.700 38.825 -0.125 1 1 106 . 19 1 1 A 8 8 ASN N N 8 120.700 121.115 -0.415 1 1 108 . 19 1 1 A 9 9 SER H H 9 7.630 7.705 -0.075 1 1 109 . 19 1 1 A 9 9 SER HA H 9 4.450 4.710 -0.260 1 1 112 . 19 1 1 A 9 9 SER C C 9 172.800 172.655 0.145 1 1 113 . 19 1 1 A 9 9 SER CA C 9 58.100 57.307 0.793 1 1 114 . 19 1 1 A 9 9 SER CB C 9 63.500 66.291 -2.791 1 1 115 . 19 1 1 A 9 9 SER N N 9 112.800 112.579 0.221 1 1 116 . 19 1 1 A 10 10 ALA H H 10 8.330 8.289 0.041 1 1 117 . 19 1 1 A 10 10 ALA HA H 10 4.530 4.363 0.167 1 1 121 . 19 1 1 A 10 10 ALA C C 10 175.300 176.722 -1.422 1 1 122 . 19 1 1 A 10 10 ALA CA C 10 52.400 52.356 0.044 1 1 123 . 19 1 1 A 10 10 ALA CB C 10 20.900 19.315 1.585 1 1 124 . 19 1 1 A 10 10 ALA N N 10 123.900 124.730 -0.830 1 1 125 . 19 1 1 A 11 11 LEU H H 11 8.930 8.543 0.387 1 1 126 . 19 1 1 A 11 11 LEU HA H 11 4.530 4.840 -0.310 1 1 136 . 19 1 1 A 11 11 LEU C C 11 175.300 176.030 -0.730 1 1 137 . 19 1 1 A 11 11 LEU CA C 11 52.600 53.545 -0.945 1 1 138 . 19 1 1 A 11 11 LEU CB C 11 45.900 45.822 0.078 1 1 142 . 19 1 1 A 11 11 LEU N N 11 123.600 123.292 0.308 1 1 143 . 19 1 1 A 12 12 ASN H H 12 8.800 8.975 -0.175 1 1 144 . 19 1 1 A 12 12 ASN HA H 12 5.030 4.911 0.119 1 1 149 . 19 1 1 A 12 12 ASN C C 12 174.000 174.554 -0.554 1 1 150 . 19 1 1 A 12 12 ASN CA C 12 53.800 53.118 0.682 1 1 151 . 19 1 1 A 12 12 ASN CB C 12 39.500 38.980 0.520 1 1 153 . 19 1 1 A 12 12 ASN N N 12 123.600 123.694 -0.094 1 1 155 . 19 1 1 A 13 13 MET H H 13 8.630 8.818 -0.188 1 1 156 . 19 1 1 A 13 13 MET HA H 13 4.970 5.232 -0.262 1 1 164 . 19 1 1 A 13 13 MET C C 13 176.000 174.754 1.246 1 1 165 . 19 1 1 A 13 13 MET CA C 13 54.900 54.252 0.648 1 1 166 . 19 1 1 A 13 13 MET CB C 13 35.200 35.746 -0.546 1 1 169 . 19 1 1 A 13 13 MET N N 13 122.600 122.461 0.139 1 1 170 . 19 1 1 A 14 14 ARG H H 14 9.730 8.544 1.186 1 1 171 . 19 1 1 A 14 14 ARG HA H 14 5.760 4.772 0.988 1 1 178 . 19 1 1 A 14 14 ARG C C 14 177.700 176.859 0.841 1 1 179 . 19 1 1 A 14 14 ARG CA C 14 54.900 54.975 -0.075 1 1 180 . 19 1 1 A 14 14 ARG CB C 14 34.600 32.425 2.175 1 1 183 . 19 1 1 A 14 14 ARG N N 14 125.200 125.088 0.112 1 1 184 . 19 1 1 A 15 15 SER H H 15 9.010 8.939 0.071 1 1 185 . 19 1 1 A 15 15 SER HA H 15 4.580 4.254 0.326 1 1 188 . 19 1 1 A 15 15 SER C C 15 173.100 174.578 -1.478 1 1 189 . 19 1 1 A 15 15 SER CA C 15 59.100 61.337 -2.237 1 1 190 . 19 1 1 A 15 15 SER CB C 15 63.600 63.366 0.234 1 1 191 . 19 1 1 A 15 15 SER N N 15 113.600 119.386 -5.786 1 1 192 . 19 1 1 A 16 16 GLY H H 16 6.940 7.601 -0.661 1 1 193 . 19 1 1 A 16 16 GLY HA2 H 16 1.050 2.743 -1.693 1 1 194 . 19 1 1 A 16 16 GLY HA3 H 16 3.010 3.650 -0.640 1 1 195 . 19 1 1 A 16 16 GLY CA C 16 43.700 43.240 0.460 1 1 196 . 19 1 1 A 16 16 GLY N N 16 109.500 108.933 0.567 1 1 197 . 19 1 1 A 17 17 PRO HA H 17 3.070 3.956 -0.886 1 1 204 . 19 1 1 A 17 17 PRO C C 17 172.400 175.375 -2.975 1 1 205 . 19 1 1 A 17 17 PRO CA C 17 60.200 61.536 -1.336 1 1 206 . 19 1 1 A 17 17 PRO CB C 17 28.300 28.762 -0.462 1 1 209 . 19 1 1 A 18 18 GLY H H 18 6.650 7.163 -0.513 1 1 210 . 19 1 1 A 18 18 GLY HA2 H 18 3.630 3.571 0.059 1 1 211 . 19 1 1 A 18 18 GLY HA3 H 18 4.010 4.096 -0.086 1 1 212 . 19 1 1 A 18 18 GLY C C 18 173.200 174.048 -0.848 1 1 213 . 19 1 1 A 18 18 GLY CA C 18 46.200 45.406 0.794 1 1 214 . 19 1 1 A 18 18 GLY N N 18 110.400 110.319 0.081 1 1 215 . 19 1 1 A 19 19 SER H H 19 8.960 8.979 -0.019 1 1 216 . 19 1 1 A 19 19 SER HA H 19 4.200 4.421 -0.221 1 1 219 . 19 1 1 A 19 19 SER C C 19 173.600 174.745 -1.145 1 1 220 . 19 1 1 A 19 19 SER CA C 19 60.600 59.434 1.166 1 1 221 . 19 1 1 A 19 19 SER CB C 19 63.200 63.309 -0.109 1 1 222 . 19 1 1 A 19 19 SER N N 19 115.800 116.243 -0.443 1 1 223 . 19 1 1 A 20 20 ASN H H 20 8.720 7.964 0.756 1 1 224 . 19 1 1 A 20 20 ASN HA H 20 4.560 4.629 -0.069 1 1 229 . 19 1 1 A 20 20 ASN C C 20 175.300 175.957 -0.657 1 1 230 . 19 1 1 A 20 20 ASN CA C 20 53.300 53.258 0.042 1 1 231 . 19 1 1 A 20 20 ASN CB C 20 37.300 38.719 -1.419 1 1 233 . 19 1 1 A 20 20 ASN N N 20 115.000 117.764 -2.764 1 1 235 . 19 1 1 A 21 21 TYR H H 21 7.040 7.759 -0.719 1 1 236 . 19 1 1 A 21 21 TYR HA H 21 4.290 4.576 -0.286 1 1 243 . 19 1 1 A 21 21 TYR C C 21 175.700 176.004 -0.304 1 1 244 . 19 1 1 A 21 21 TYR CA C 21 58.800 57.961 0.839 1 1 245 . 19 1 1 A 21 21 TYR CB C 21 39.400 38.780 0.620 1 1 250 . 19 1 1 A 21 21 TYR N N 21 119.200 116.313 2.887 1 1 251 . 19 1 1 A 22 22 GLY H H 22 8.450 7.907 0.543 1 1 252 . 19 1 1 A 22 22 GLY HA2 H 22 3.820 4.103 -0.283 1 1 253 . 19 1 1 A 22 22 GLY HA3 H 22 4.090 4.113 -0.023 1 1 254 . 19 1 1 A 22 22 GLY C C 22 172.700 172.802 -0.102 1 1 255 . 19 1 1 A 22 22 GLY CA C 22 45.300 45.002 0.298 1 1 256 . 19 1 1 A 22 22 GLY N N 22 107.800 108.396 -0.596 1 1 257 . 19 1 1 A 23 23 VAL H H 23 8.470 8.241 0.229 1 1 258 . 19 1 1 A 23 23 VAL HA H 23 4.320 5.207 -0.887 1 1 266 . 19 1 1 A 23 23 VAL C C 23 178.000 176.562 1.438 1 1 267 . 19 1 1 A 23 23 VAL CA C 23 63.700 60.031 3.669 1 1 268 . 19 1 1 A 23 23 VAL CB C 23 32.700 34.131 -1.431 1 1 271 . 19 1 1 A 23 23 VAL N N 23 120.200 118.890 1.310 1 1 272 . 19 1 1 A 24 24 ILE H H 24 9.120 8.649 0.471 1 1 273 . 19 1 1 A 24 24 ILE HA H 24 4.740 4.605 0.135 1 1 283 . 19 1 1 A 24 24 ILE C C 24 175.300 175.622 -0.322 1 1 284 . 19 1 1 A 24 24 ILE CA C 24 60.500 60.965 -0.465 1 1 285 . 19 1 1 A 24 24 ILE CB C 24 39.900 38.898 1.002 1 1 289 . 19 1 1 A 24 24 ILE N N 24 120.900 124.568 -3.668 1 1 290 . 19 1 1 A 25 25 GLY H H 25 7.770 7.507 0.263 1 1 291 . 19 1 1 A 25 25 GLY HA2 H 25 4.130 4.128 0.002 1 1 292 . 19 1 1 A 25 25 GLY HA3 H 25 4.310 4.135 0.175 1 1 293 . 19 1 1 A 25 25 GLY C C 25 171.100 171.389 -0.289 1 1 294 . 19 1 1 A 25 25 GLY CA C 25 45.500 45.898 -0.398 1 1 295 . 19 1 1 A 25 25 GLY N N 25 109.200 109.057 0.143 1 1 296 . 19 1 1 A 26 26 THR H H 26 8.440 8.466 -0.026 1 1 297 . 19 1 1 A 26 26 THR HA H 26 5.080 5.523 -0.443 1 1 302 . 19 1 1 A 26 26 THR C C 26 173.000 173.449 -0.449 1 1 303 . 19 1 1 A 26 26 THR CA C 26 61.400 59.690 1.710 1 1 304 . 19 1 1 A 26 26 THR CB C 26 72.200 72.283 -0.083 1 1 306 . 19 1 1 A 26 26 THR N N 26 113.900 111.952 1.948 1 1 307 . 19 1 1 A 27 27 LEU H H 27 9.180 9.245 -0.065 1 1 308 . 19 1 1 A 27 27 LEU HA H 27 4.480 5.070 -0.590 1 1 318 . 19 1 1 A 27 27 LEU C C 27 174.900 175.721 -0.821 1 1 319 . 19 1 1 A 27 27 LEU CA C 27 53.400 53.534 -0.134 1 1 320 . 19 1 1 A 27 27 LEU CB C 27 45.000 45.592 -0.592 1 1 324 . 19 1 1 A 27 27 LEU N N 27 125.600 122.600 3.000 1 1 325 . 19 1 1 A 28 28 ARG H H 28 9.280 8.631 0.649 1 1 326 . 19 1 1 A 28 28 ARG HA H 28 4.510 4.832 -0.322 1 1 333 . 19 1 1 A 28 28 ARG C C 28 175.300 175.901 -0.601 1 1 334 . 19 1 1 A 28 28 ARG CA C 28 53.300 54.069 -0.769 1 1 335 . 19 1 1 A 28 28 ARG CB C 28 33.100 33.344 -0.244 1 1 338 . 19 1 1 A 28 28 ARG N N 28 120.600 121.061 -0.461 1 1 339 . 19 1 1 A 29 29 ASN H H 29 8.360 8.645 -0.285 1 1 340 . 19 1 1 A 29 29 ASN HA H 29 4.070 4.776 -0.706 1 1 345 . 19 1 1 A 29 29 ASN C C 29 176.500 175.366 1.134 1 1 346 . 19 1 1 A 29 29 ASN CA C 29 56.100 53.445 2.655 1 1 347 . 19 1 1 A 29 29 ASN CB C 29 39.300 38.985 0.315 1 1 349 . 19 1 1 A 29 29 ASN N N 29 117.200 120.794 -3.594 1 1 351 . 19 1 1 A 30 30 ASN H H 30 9.290 9.149 0.141 1 1 352 . 19 1 1 A 30 30 ASN HA H 30 4.300 4.389 -0.089 1 1 357 . 19 1 1 A 30 30 ASN C C 30 175.100 173.688 1.412 1 1 358 . 19 1 1 A 30 30 ASN CA C 30 55.500 54.541 0.959 1 1 359 . 19 1 1 A 30 30 ASN CB C 30 37.300 38.199 -0.899 1 1 361 . 19 1 1 A 30 30 ASN N N 30 118.900 118.532 0.368 1 1 363 . 19 1 1 A 31 31 ASP H H 31 8.210 7.617 0.593 1 1 364 . 19 1 1 A 31 31 ASP HA H 31 4.700 4.607 0.093 1 1 367 . 19 1 1 A 31 31 ASP C C 31 175.300 175.256 0.044 1 1 368 . 19 1 1 A 31 31 ASP CA C 31 56.500 53.809 2.691 1 1 369 . 19 1 1 A 31 31 ASP CB C 31 41.200 40.827 0.373 1 1 370 . 19 1 1 A 31 31 ASP N N 31 122.300 120.715 1.585 1 1 371 . 19 1 1 A 32 32 LYS H H 32 8.510 8.540 -0.030 1 1 372 . 19 1 1 A 32 32 LYS HA H 32 5.140 4.525 0.615 1 1 381 . 19 1 1 A 32 32 LYS C C 32 176.600 176.562 0.038 1 1 382 . 19 1 1 A 32 32 LYS CA C 32 55.400 56.437 -1.037 1 1 383 . 19 1 1 A 32 32 LYS CB C 32 33.500 33.070 0.430 1 1 387 . 19 1 1 A 32 32 LYS N N 32 121.500 124.367 -2.867 1 1 388 . 19 1 1 A 33 33 VAL H H 33 8.650 8.625 0.025 1 1 389 . 19 1 1 A 33 33 VAL HA H 33 5.020 4.944 0.076 1 1 397 . 19 1 1 A 33 33 VAL C C 33 174.200 173.617 0.583 1 1 398 . 19 1 1 A 33 33 VAL CA C 33 58.200 58.683 -0.483 1 1 399 . 19 1 1 A 33 33 VAL CB C 33 34.900 35.777 -0.877 1 1 402 . 19 1 1 A 33 33 VAL N N 33 113.500 117.975 -4.475 1 1 403 . 19 1 1 A 34 34 GLU H H 34 8.070 8.906 -0.836 1 1 404 . 19 1 1 A 34 34 GLU HA H 34 4.780 4.965 -0.185 1 1 409 . 19 1 1 A 34 34 GLU C C 34 176.000 175.131 0.869 1 1 410 . 19 1 1 A 34 34 GLU CA C 34 55.000 54.982 0.018 1 1 411 . 19 1 1 A 34 34 GLU CB C 34 31.400 32.176 -0.776 1 1 413 . 19 1 1 A 34 34 GLU N N 34 122.300 122.124 0.176 1 1 414 . 19 1 1 A 35 35 ILE H H 35 8.610 8.934 -0.324 1 1 415 . 19 1 1 A 35 35 ILE HA H 35 4.100 4.626 -0.526 1 1 425 . 19 1 1 A 35 35 ILE C C 35 175.600 175.638 -0.038 1 1 426 . 19 1 1 A 35 35 ILE CA C 35 61.200 60.830 0.370 1 1 427 . 19 1 1 A 35 35 ILE CB C 35 38.800 37.847 0.953 1 1 431 . 19 1 1 A 35 35 ILE N N 35 125.500 127.585 -2.085 1 1 432 . 19 1 1 A 36 36 ILE H H 36 9.450 8.602 0.848 1 1 433 . 19 1 1 A 36 36 ILE HA H 36 3.990 4.092 -0.102 1 1 443 . 19 1 1 A 36 36 ILE C C 36 176.500 176.262 0.238 1 1 444 . 19 1 1 A 36 36 ILE CA C 36 63.100 62.951 0.149 1 1 445 . 19 1 1 A 36 36 ILE CB C 36 38.800 38.502 0.298 1 1 449 . 19 1 1 A 36 36 ILE N N 36 129.500 129.125 0.375 1 1 450 . 19 1 1 A 37 37 LYS H H 37 7.630 7.613 0.017 1 1 451 . 19 1 1 A 37 37 LYS HA H 37 4.670 4.728 -0.058 1 1 460 . 19 1 1 A 37 37 LYS C C 37 173.100 173.756 -0.656 1 1 461 . 19 1 1 A 37 37 LYS CA C 37 55.700 55.062 0.638 1 1 462 . 19 1 1 A 37 37 LYS CB C 37 34.700 34.405 0.295 1 1 466 . 19 1 1 A 37 37 LYS N N 37 113.300 115.115 -1.815 1 1 467 . 19 1 1 A 38 38 GLU H H 38 8.800 8.735 0.065 1 1 468 . 19 1 1 A 38 38 GLU HA H 38 5.360 5.338 0.022 1 1 473 . 19 1 1 A 38 38 GLU C C 38 175.300 175.128 0.172 1 1 474 . 19 1 1 A 38 38 GLU CA C 38 55.400 54.742 0.658 1 1 475 . 19 1 1 A 38 38 GLU CB C 38 32.500 32.702 -0.202 1 1 477 . 19 1 1 A 38 38 GLU N N 38 122.000 120.674 1.326 1 1 478 . 19 1 1 A 39 39 VAL H H 39 9.550 9.136 0.414 1 1 479 . 19 1 1 A 39 39 VAL HA H 39 4.360 4.553 -0.193 1 1 487 . 19 1 1 A 39 39 VAL C C 39 174.500 175.614 -1.114 1 1 488 . 19 1 1 A 39 39 VAL CA C 39 61.600 61.128 0.472 1 1 489 . 19 1 1 A 39 39 VAL CB C 39 34.400 34.392 0.008 1 1 492 . 19 1 1 A 39 39 VAL N N 39 126.000 126.025 -0.025 1 1 493 . 19 1 1 A 40 40 ASP H H 40 8.960 9.462 -0.502 1 1 494 . 19 1 1 A 40 40 ASP HA H 40 4.340 4.396 -0.056 1 1 497 . 19 1 1 A 40 40 ASP C C 40 175.800 176.267 -0.467 1 1 498 . 19 1 1 A 40 40 ASP CA C 40 55.900 55.648 0.252 1 1 499 . 19 1 1 A 40 40 ASP CB C 40 40.700 39.672 1.028 1 1 500 . 19 1 1 A 40 40 ASP N N 40 125.700 128.926 -3.226 1 1 501 . 19 1 1 A 41 41 GLY H H 41 8.870 8.279 0.591 1 1 502 . 19 1 1 A 41 41 GLY HA2 H 41 3.510 3.657 -0.147 1 1 503 . 19 1 1 A 41 41 GLY HA3 H 41 4.190 3.671 0.519 1 1 504 . 19 1 1 A 41 41 GLY C C 41 173.900 173.961 -0.061 1 1 505 . 19 1 1 A 41 41 GLY CA C 41 45.700 45.236 0.464 1 1 506 . 19 1 1 A 41 41 GLY N N 41 105.500 104.850 0.650 1 1 507 . 19 1 1 A 42 42 TRP H H 42 8.580 8.304 0.276 1 1 508 . 19 1 1 A 42 42 TRP HA H 42 4.700 4.643 0.057 1 1 517 . 19 1 1 A 42 42 TRP C C 42 175.300 175.717 -0.417 1 1 518 . 19 1 1 A 42 42 TRP CA C 42 56.300 57.464 -1.164 1 1 519 . 19 1 1 A 42 42 TRP CB C 42 31.300 30.648 0.652 1 1 525 . 19 1 1 A 42 42 TRP N N 42 122.900 121.017 1.883 1 1 527 . 19 1 1 A 43 43 TYR H H 43 9.400 8.801 0.599 1 1 528 . 19 1 1 A 43 43 TYR HA H 43 5.630 5.189 0.441 1 1 535 . 19 1 1 A 43 43 TYR C C 43 175.800 175.286 0.514 1 1 536 . 19 1 1 A 43 43 TYR CA C 43 55.900 57.003 -1.103 1 1 537 . 19 1 1 A 43 43 TYR CB C 43 40.200 40.500 -0.300 1 1 542 . 19 1 1 A 43 43 TYR N N 43 119.000 122.287 -3.287 1 1 543 . 19 1 1 A 44 44 GLU H H 44 9.110 9.105 0.005 1 1 544 . 19 1 1 A 44 44 GLU HA H 44 4.040 4.015 0.025 1 1 549 . 19 1 1 A 44 44 GLU C C 44 175.500 176.313 -0.813 1 1 550 . 19 1 1 A 44 44 GLU CA C 44 55.500 55.838 -0.338 1 1 551 . 19 1 1 A 44 44 GLU CB C 44 31.200 30.642 0.558 1 1 553 . 19 1 1 A 44 44 GLU N N 44 125.600 124.583 1.017 1 1 554 . 19 1 1 A 45 45 ILE H H 45 9.300 8.619 0.681 1 1 555 . 19 1 1 A 45 45 ILE HA H 45 5.550 5.297 0.253 1 1 565 . 19 1 1 A 45 45 ILE C C 45 173.700 173.644 0.056 1 1 566 . 19 1 1 A 45 45 ILE CA C 45 58.300 58.737 -0.437 1 1 567 . 19 1 1 A 45 45 ILE CB C 45 43.200 42.068 1.132 1 1 571 . 19 1 1 A 45 45 ILE N N 45 122.700 121.167 1.533 1 1 572 . 19 1 1 A 46 46 ARG H H 46 8.730 8.527 0.203 1 1 573 . 19 1 1 A 46 46 ARG HA H 46 5.310 5.485 -0.175 1 1 580 . 19 1 1 A 46 46 ARG C C 46 176.400 174.698 1.702 1 1 581 . 19 1 1 A 46 46 ARG CA C 46 54.400 54.343 0.057 1 1 582 . 19 1 1 A 46 46 ARG CB C 46 33.600 33.434 0.166 1 1 585 . 19 1 1 A 46 46 ARG N N 46 118.900 123.239 -4.339 1 1 586 . 19 1 1 A 47 47 PHE H H 47 9.080 9.313 -0.233 1 1 587 . 19 1 1 A 47 47 PHE HA H 47 4.850 4.847 0.003 1 1 595 . 19 1 1 A 47 47 PHE C C 47 174.500 174.738 -0.238 1 1 596 . 19 1 1 A 47 47 PHE CA C 47 57.300 57.727 -0.427 1 1 597 . 19 1 1 A 47 47 PHE CB C 47 42.500 42.954 -0.454 1 1 603 . 19 1 1 A 47 47 PHE N N 47 126.500 127.042 -0.542 1 1 604 . 19 1 1 A 48 48 ASN H H 48 9.140 8.749 0.391 1 1 605 . 19 1 1 A 48 48 ASN HA H 48 4.080 4.097 -0.017 1 1 610 . 19 1 1 A 48 48 ASN C C 48 175.100 174.640 0.460 1 1 611 . 19 1 1 A 48 48 ASN CA C 48 53.500 53.701 -0.201 1 1 612 . 19 1 1 A 48 48 ASN CB C 48 37.100 37.141 -0.041 1 1 614 . 19 1 1 A 48 48 ASN N N 48 128.500 125.380 3.120 1 1 616 . 19 1 1 A 49 49 GLY H H 49 8.600 8.585 0.015 1 1 617 . 19 1 1 A 49 49 GLY HA2 H 49 3.510 3.824 -0.314 1 1 618 . 19 1 1 A 49 49 GLY HA3 H 49 4.110 3.827 0.283 1 1 619 . 19 1 1 A 49 49 GLY C C 49 173.600 173.774 -0.174 1 1 620 . 19 1 1 A 49 49 GLY CA C 49 45.600 45.252 0.348 1 1 621 . 19 1 1 A 49 49 GLY N N 49 103.100 103.613 -0.513 1 1 622 . 19 1 1 A 50 50 LYS H H 50 7.850 8.199 -0.349 1 1 623 . 19 1 1 A 50 50 LYS HA H 50 4.620 4.670 -0.050 1 1 632 . 19 1 1 A 50 50 LYS C C 50 174.600 175.701 -1.101 1 1 633 . 19 1 1 A 50 50 LYS CA C 50 54.900 54.365 0.535 1 1 634 . 19 1 1 A 50 50 LYS CB C 50 35.100 34.542 0.558 1 1 638 . 19 1 1 A 50 50 LYS N N 50 121.700 120.285 1.415 1 1 639 . 19 1 1 A 51 51 VAL H H 51 8.120 8.646 -0.526 1 1 640 . 19 1 1 A 51 51 VAL HA H 51 5.100 4.988 0.112 1 1 648 . 19 1 1 A 51 51 VAL C C 51 176.100 175.693 0.407 1 1 649 . 19 1 1 A 51 51 VAL CA C 51 60.700 60.203 0.497 1 1 650 . 19 1 1 A 51 51 VAL CB C 51 33.400 34.456 -1.056 1 1 653 . 19 1 1 A 51 51 VAL N N 51 122.100 122.683 -0.583 1 1 654 . 19 1 1 A 52 52 GLY H H 52 8.430 8.202 0.228 1 1 655 . 19 1 1 A 52 52 GLY HA2 H 52 3.760 4.318 -0.558 1 1 656 . 19 1 1 A 52 52 GLY HA3 H 52 4.230 4.373 -0.143 1 1 657 . 19 1 1 A 52 52 GLY C C 52 170.300 171.650 -1.350 1 1 658 . 19 1 1 A 52 52 GLY CA C 52 45.600 45.960 -0.360 1 1 659 . 19 1 1 A 52 52 GLY N N 52 113.100 112.848 0.252 1 1 660 . 19 1 1 A 53 53 TYR H H 53 9.260 8.823 0.437 1 1 661 . 19 1 1 A 53 53 TYR HA H 53 5.990 5.774 0.216 1 1 668 . 19 1 1 A 53 53 TYR C C 53 175.700 174.907 0.793 1 1 669 . 19 1 1 A 53 53 TYR CA C 53 56.800 56.746 0.054 1 1 670 . 19 1 1 A 53 53 TYR CB C 53 42.800 43.543 -0.743 1 1 675 . 19 1 1 A 53 53 TYR N N 53 118.000 118.948 -0.948 1 1 676 . 19 1 1 A 54 54 ALA H H 54 9.210 8.558 0.652 1 1 677 . 19 1 1 A 54 54 ALA HA H 54 5.280 5.286 -0.006 1 1 681 . 19 1 1 A 54 54 ALA C C 54 175.800 176.375 -0.575 1 1 682 . 19 1 1 A 54 54 ALA CA C 54 50.900 51.180 -0.280 1 1 683 . 19 1 1 A 54 54 ALA CB C 54 23.800 23.470 0.330 1 1 684 . 19 1 1 A 54 54 ALA N N 54 122.000 122.760 -0.760 1 1 685 . 19 1 1 A 55 55 SER H H 55 8.620 8.901 -0.281 1 1 686 . 19 1 1 A 55 55 SER HA H 55 3.270 4.176 -0.906 1 1 689 . 19 1 1 A 55 55 SER C C 55 175.400 175.908 -0.508 1 1 690 . 19 1 1 A 55 55 SER CA C 55 59.100 59.191 -0.091 1 1 691 . 19 1 1 A 55 55 SER CB C 55 63.200 63.593 -0.393 1 1 692 . 19 1 1 A 55 55 SER N N 55 117.400 117.492 -0.092 1 1 693 . 19 1 1 A 56 56 LYS H H 56 7.630 8.552 -0.922 1 1 694 . 19 1 1 A 56 56 LYS HA H 56 3.750 4.223 -0.473 1 1 703 . 19 1 1 A 56 56 LYS C C 56 177.100 178.567 -1.467 1 1 704 . 19 1 1 A 56 56 LYS CA C 56 58.600 58.937 -0.337 1 1 705 . 19 1 1 A 56 56 LYS CB C 56 32.300 32.078 0.222 1 1 709 . 19 1 1 A 56 56 LYS N N 56 124.500 124.196 0.304 1 1 710 . 19 1 1 A 57 57 SER H H 57 7.670 7.966 -0.296 1 1 711 . 19 1 1 A 57 57 SER HA H 57 3.930 3.985 -0.055 1 1 714 . 19 1 1 A 57 57 SER C C 57 174.100 175.000 -0.900 1 1 715 . 19 1 1 A 57 57 SER CA C 57 60.700 62.294 -1.594 1 1 716 . 19 1 1 A 57 57 SER CB C 57 62.800 62.977 -0.177 1 1 717 . 19 1 1 A 57 57 SER N N 57 112.000 118.071 -6.071 1 1 718 . 19 1 1 A 58 58 TYR H H 58 6.990 7.163 -0.173 1 1 719 . 19 1 1 A 58 58 TYR HA H 58 4.800 4.677 0.123 1 1 726 . 19 1 1 A 58 58 TYR C C 58 173.300 174.663 -1.363 1 1 727 . 19 1 1 A 58 58 TYR CA C 58 57.400 58.242 -0.842 1 1 728 . 19 1 1 A 58 58 TYR CB C 58 40.500 38.762 1.738 1 1 733 . 19 1 1 A 58 58 TYR N N 58 116.100 117.646 -1.546 1 1 734 . 19 1 1 A 59 59 ILE H H 59 7.300 7.284 0.016 1 1 735 . 19 1 1 A 59 59 ILE HA H 59 4.790 4.735 0.055 1 1 745 . 19 1 1 A 59 59 ILE C C 59 174.500 174.411 0.089 1 1 746 . 19 1 1 A 59 59 ILE CA C 59 59.300 60.153 -0.853 1 1 747 . 19 1 1 A 59 59 ILE CB C 59 40.800 39.780 1.020 1 1 751 . 19 1 1 A 59 59 ILE N N 59 119.000 120.485 -1.485 1 1 752 . 19 1 1 A 60 60 THR H H 60 8.980 8.808 0.172 1 1 753 . 19 1 1 A 60 60 THR HA H 60 4.580 4.898 -0.318 1 1 758 . 19 1 1 A 60 60 THR C C 60 173.800 173.165 0.635 1 1 759 . 19 1 1 A 60 60 THR CA C 60 60.800 61.760 -0.960 1 1 760 . 19 1 1 A 60 60 THR CB C 60 71.100 70.918 0.182 1 1 762 . 19 1 1 A 60 60 THR N N 60 123.600 123.672 -0.072 1 1 763 . 19 1 1 A 61 61 ILE H H 61 8.680 8.637 0.043 1 1 764 . 19 1 1 A 61 61 ILE HA H 61 4.180 4.333 -0.153 1 1 774 . 19 1 1 A 61 61 ILE C C 61 176.400 176.094 0.306 1 1 775 . 19 1 1 A 61 61 ILE CA C 61 61.800 59.910 1.890 1 1 776 . 19 1 1 A 61 61 ILE CB C 61 37.900 37.712 0.188 1 1 780 . 19 1 1 A 61 61 ILE N N 61 127.200 128.337 -1.137 1 1 781 . 19 1 1 A 62 62 VAL H H 62 8.370 8.408 -0.038 1 1 782 . 19 1 1 A 62 62 VAL HA H 62 4.140 4.200 -0.060 1 1 790 . 19 1 1 A 62 62 VAL C C 62 175.200 175.451 -0.251 1 1 791 . 19 1 1 A 62 62 VAL CA C 62 61.800 61.980 -0.180 1 1 792 . 19 1 1 A 62 62 VAL CB C 62 33.200 32.784 0.416 1 1 795 . 19 1 1 A 62 62 VAL N N 62 126.600 125.286 1.314 1 1 796 . 19 1 1 A 63 63 ASN H H 63 8.590 8.525 0.065 1 1 797 . 19 1 1 A 63 63 ASN HA H 63 4.730 4.574 0.156 1 1 802 . 19 1 1 A 63 63 ASN C C 63 175.200 175.426 -0.226 1 1 803 . 19 1 1 A 63 63 ASN CA C 63 53.200 53.667 -0.467 1 1 804 . 19 1 1 A 63 63 ASN CB C 63 39.100 38.591 0.509 1 1 806 . 19 1 1 A 63 63 ASN N N 63 123.500 122.152 1.348 1 1 808 . 19 1 1 A 64 64 GLU H H 64 8.620 8.589 0.031 1 1 809 . 19 1 1 A 64 64 GLU HA H 64 4.250 4.357 -0.107 1 1 814 . 19 1 1 A 64 64 GLU C C 64 177.000 177.495 -0.495 1 1 815 . 19 1 1 A 64 64 GLU CA C 64 57.100 56.903 0.197 1 1 816 . 19 1 1 A 64 64 GLU CB C 64 30.400 30.291 0.109 1 1 818 . 19 1 1 A 64 64 GLU N N 64 122.700 122.353 0.347 1 1 819 . 19 1 1 A 65 65 GLY H H 65 8.490 8.652 -0.162 1 1 820 . 19 1 1 A 65 65 GLY HA2 H 65 3.980 3.972 0.008 1 1 821 . 19 1 1 A 65 65 GLY HA3 H 65 3.980 3.973 0.007 1 1 822 . 19 1 1 A 65 65 GLY C C 65 174.300 172.725 1.575 1 1 823 . 19 1 1 A 65 65 GLY CA C 65 45.500 45.632 -0.132 1 1 824 . 19 1 1 A 65 65 GLY N N 65 109.600 111.087 -1.487 1 1 825 . 19 1 1 A 66 66 SER H H 66 8.180 8.650 -0.470 1 1 826 . 19 1 1 A 66 66 SER HA H 66 4.450 4.812 -0.362 1 1 829 . 19 1 1 A 66 66 SER C C 66 174.900 174.819 0.081 1 1 830 . 19 1 1 A 66 66 SER CA C 66 58.300 58.715 -0.415 1 1 831 . 19 1 1 A 66 66 SER CB C 66 63.700 63.706 -0.006 1 1 832 . 19 1 1 A 66 66 SER N N 66 115.500 118.271 -2.771 1 1 833 . 19 1 1 A 67 67 LEU H H 67 8.300 8.414 -0.114 1 1 834 . 19 1 1 A 67 67 LEU HA H 67 4.300 4.584 -0.284 1 1 844 . 19 1 1 A 67 67 LEU C C 67 177.500 178.306 -0.806 1 1 845 . 19 1 1 A 67 67 LEU CA C 67 55.400 54.915 0.485 1 1 846 . 19 1 1 A 67 67 LEU CB C 67 42.200 42.151 0.049 1 1 850 . 19 1 1 A 67 67 LEU N N 67 123.800 121.734 2.066 1 1 851 . 19 1 1 A 68 68 GLU H H 68 8.270 8.002 0.268 1 1 852 . 19 1 1 A 68 68 GLU HA H 68 4.160 4.267 -0.107 1 1 857 . 19 1 1 A 68 68 GLU CA C 68 56.900 59.433 -2.533 1 1 858 . 19 1 1 A 68 68 GLU CB C 68 30.100 30.229 -0.129 1 1 860 . 19 1 1 A 68 68 GLU N N 68 120.700 118.226 2.474 1 1 861 . 19 1 1 A 69 69 HIS C C 69 173.900 173.760 0.140 1 1 862 . 19 1 1 A 70 70 HIS H H 70 8.140 8.191 -0.051 1 1 863 . 19 1 1 A 70 70 HIS CA C 70 57.200 56.688 0.512 1 1 864 . 19 1 1 A 70 70 HIS CB C 70 30.200 30.564 -0.364 1 1 14 . 20 1 1 A 2 2 GLN H H 2 9.330 8.519 0.811 1 1 15 . 20 1 1 A 2 2 GLN HA H 2 5.000 5.125 -0.125 1 1 22 . 20 1 1 A 2 2 GLN C C 2 174.500 175.521 -1.021 1 1 23 . 20 1 1 A 2 2 GLN CA C 2 55.500 54.088 1.412 1 1 24 . 20 1 1 A 2 2 GLN CB C 2 31.700 30.876 0.824 1 1 26 . 20 1 1 A 2 2 GLN N N 2 125.400 125.573 -0.173 1 1 28 . 20 1 1 A 3 3 GLY H H 3 8.860 9.109 -0.249 1 1 29 . 20 1 1 A 3 3 GLY HA2 H 3 3.070 4.270 -1.200 1 1 30 . 20 1 1 A 3 3 GLY HA3 H 3 5.250 4.294 0.956 1 1 31 . 20 1 1 A 3 3 GLY C C 3 171.800 172.472 -0.672 1 1 32 . 20 1 1 A 3 3 GLY CA C 3 44.300 44.326 -0.026 1 1 33 . 20 1 1 A 3 3 GLY N N 3 108.200 113.087 -4.887 1 1 34 . 20 1 1 A 4 4 VAL H H 4 9.060 8.679 0.381 1 1 35 . 20 1 1 A 4 4 VAL HA H 4 5.080 4.874 0.206 1 1 43 . 20 1 1 A 4 4 VAL C C 4 174.500 174.734 -0.234 1 1 44 . 20 1 1 A 4 4 VAL CA C 4 59.800 60.546 -0.746 1 1 45 . 20 1 1 A 4 4 VAL CB C 4 35.300 35.032 0.268 1 1 48 . 20 1 1 A 4 4 VAL N N 4 120.200 121.269 -1.069 1 1 49 . 20 1 1 A 5 5 VAL H H 5 8.750 8.745 0.005 1 1 50 . 20 1 1 A 5 5 VAL HA H 5 4.190 4.506 -0.316 1 1 58 . 20 1 1 A 5 5 VAL C C 5 175.800 174.188 1.612 1 1 59 . 20 1 1 A 5 5 VAL CA C 5 62.800 61.739 1.061 1 1 60 . 20 1 1 A 5 5 VAL CB C 5 31.900 32.186 -0.286 1 1 63 . 20 1 1 A 5 5 VAL N N 5 128.600 128.508 0.092 1 1 64 . 20 1 1 A 6 6 LYS H H 6 8.830 9.374 -0.544 1 1 65 . 20 1 1 A 6 6 LYS HA H 6 5.250 5.048 0.202 1 1 74 . 20 1 1 A 6 6 LYS C C 6 174.800 175.334 -0.534 1 1 75 . 20 1 1 A 6 6 LYS CA C 6 54.300 54.959 -0.659 1 1 76 . 20 1 1 A 6 6 LYS CB C 6 33.200 34.335 -1.135 1 1 80 . 20 1 1 A 6 6 LYS N N 6 131.400 129.783 1.617 1 1 81 . 20 1 1 A 7 7 VAL H H 7 8.270 8.479 -0.209 1 1 82 . 20 1 1 A 7 7 VAL HA H 7 4.640 5.002 -0.362 1 1 90 . 20 1 1 A 7 7 VAL C C 7 173.400 175.897 -2.497 1 1 91 . 20 1 1 A 7 7 VAL CA C 7 59.700 59.807 -0.107 1 1 92 . 20 1 1 A 7 7 VAL CB C 7 35.400 35.652 -0.252 1 1 95 . 20 1 1 A 7 7 VAL N N 7 119.000 125.136 -6.136 1 1 96 . 20 1 1 A 8 8 ASN H H 8 8.560 8.955 -0.395 1 1 97 . 20 1 1 A 8 8 ASN HA H 8 4.690 4.435 0.255 1 1 102 . 20 1 1 A 8 8 ASN C C 8 175.600 176.579 -0.979 1 1 103 . 20 1 1 A 8 8 ASN CA C 8 54.500 55.938 -1.438 1 1 104 . 20 1 1 A 8 8 ASN CB C 8 38.700 38.596 0.104 1 1 106 . 20 1 1 A 8 8 ASN N N 8 120.700 126.386 -5.686 1 1 108 . 20 1 1 A 9 9 SER H H 9 7.630 7.978 -0.348 1 1 109 . 20 1 1 A 9 9 SER HA H 9 4.450 4.734 -0.284 1 1 112 . 20 1 1 A 9 9 SER C C 9 172.800 174.345 -1.545 1 1 113 . 20 1 1 A 9 9 SER CA C 9 58.100 58.732 -0.632 1 1 114 . 20 1 1 A 9 9 SER CB C 9 63.500 64.316 -0.816 1 1 115 . 20 1 1 A 9 9 SER N N 9 112.800 108.393 4.407 1 1 116 . 20 1 1 A 10 10 ALA H H 10 8.330 7.703 0.627 1 1 117 . 20 1 1 A 10 10 ALA HA H 10 4.530 4.676 -0.146 1 1 121 . 20 1 1 A 10 10 ALA C C 10 175.300 174.673 0.627 1 1 122 . 20 1 1 A 10 10 ALA CA C 10 52.400 51.449 0.951 1 1 123 . 20 1 1 A 10 10 ALA CB C 10 20.900 22.955 -2.055 1 1 124 . 20 1 1 A 10 10 ALA N N 10 123.900 120.623 3.277 1 1 125 . 20 1 1 A 11 11 LEU H H 11 8.930 8.609 0.321 1 1 126 . 20 1 1 A 11 11 LEU HA H 11 4.530 5.008 -0.478 1 1 136 . 20 1 1 A 11 11 LEU C C 11 175.300 175.531 -0.231 1 1 137 . 20 1 1 A 11 11 LEU CA C 11 52.600 53.118 -0.518 1 1 138 . 20 1 1 A 11 11 LEU CB C 11 45.900 45.232 0.668 1 1 142 . 20 1 1 A 11 11 LEU N N 11 123.600 123.285 0.315 1 1 143 . 20 1 1 A 12 12 ASN H H 12 8.800 8.679 0.121 1 1 144 . 20 1 1 A 12 12 ASN HA H 12 5.030 4.805 0.225 1 1 149 . 20 1 1 A 12 12 ASN C C 12 174.000 174.652 -0.652 1 1 150 . 20 1 1 A 12 12 ASN CA C 12 53.800 53.544 0.256 1 1 151 . 20 1 1 A 12 12 ASN CB C 12 39.500 39.120 0.380 1 1 153 . 20 1 1 A 12 12 ASN N N 12 123.600 125.098 -1.498 1 1 155 . 20 1 1 A 13 13 MET H H 13 8.630 9.190 -0.560 1 1 156 . 20 1 1 A 13 13 MET HA H 13 4.970 5.242 -0.272 1 1 164 . 20 1 1 A 13 13 MET C C 13 176.000 175.092 0.908 1 1 165 . 20 1 1 A 13 13 MET CA C 13 54.900 54.124 0.776 1 1 166 . 20 1 1 A 13 13 MET CB C 13 35.200 35.415 -0.215 1 1 169 . 20 1 1 A 13 13 MET N N 13 122.600 123.733 -1.133 1 1 170 . 20 1 1 A 14 14 ARG H H 14 9.730 8.569 1.161 1 1 171 . 20 1 1 A 14 14 ARG HA H 14 5.760 4.859 0.901 1 1 178 . 20 1 1 A 14 14 ARG C C 14 177.700 176.464 1.236 1 1 179 . 20 1 1 A 14 14 ARG CA C 14 54.900 53.924 0.976 1 1 180 . 20 1 1 A 14 14 ARG CB C 14 34.600 32.838 1.762 1 1 183 . 20 1 1 A 14 14 ARG N N 14 125.200 125.329 -0.129 1 1 184 . 20 1 1 A 15 15 SER H H 15 9.010 8.960 0.050 1 1 185 . 20 1 1 A 15 15 SER HA H 15 4.580 4.385 0.195 1 1 188 . 20 1 1 A 15 15 SER C C 15 173.100 174.154 -1.054 1 1 189 . 20 1 1 A 15 15 SER CA C 15 59.100 60.021 -0.921 1 1 190 . 20 1 1 A 15 15 SER CB C 15 63.600 63.841 -0.241 1 1 191 . 20 1 1 A 15 15 SER N N 15 113.600 118.845 -5.245 1 1 192 . 20 1 1 A 16 16 GLY H H 16 6.940 7.266 -0.326 1 1 193 . 20 1 1 A 16 16 GLY HA2 H 16 1.050 2.962 -1.912 1 1 194 . 20 1 1 A 16 16 GLY HA3 H 16 3.010 3.124 -0.114 1 1 195 . 20 1 1 A 16 16 GLY CA C 16 43.700 44.414 -0.714 1 1 196 . 20 1 1 A 16 16 GLY N N 16 109.500 107.336 2.164 1 1 197 . 20 1 1 A 17 17 PRO HA H 17 3.070 2.822 0.248 1 1 204 . 20 1 1 A 17 17 PRO C C 17 172.400 175.193 -2.793 1 1 205 . 20 1 1 A 17 17 PRO CA C 17 60.200 61.163 -0.963 1 1 206 . 20 1 1 A 17 17 PRO CB C 17 28.300 28.709 -0.409 1 1 209 . 20 1 1 A 18 18 GLY H H 18 6.650 6.912 -0.262 1 1 210 . 20 1 1 A 18 18 GLY HA2 H 18 3.630 4.128 -0.498 1 1 211 . 20 1 1 A 18 18 GLY HA3 H 18 4.010 4.222 -0.212 1 1 212 . 20 1 1 A 18 18 GLY C C 18 173.200 174.740 -1.540 1 1 213 . 20 1 1 A 18 18 GLY CA C 18 46.200 45.611 0.589 1 1 214 . 20 1 1 A 18 18 GLY N N 18 110.400 109.597 0.803 1 1 215 . 20 1 1 A 19 19 SER H H 19 8.960 9.126 -0.166 1 1 216 . 20 1 1 A 19 19 SER HA H 19 4.200 4.280 -0.080 1 1 219 . 20 1 1 A 19 19 SER C C 19 173.600 175.309 -1.709 1 1 220 . 20 1 1 A 19 19 SER CA C 19 60.600 60.178 0.422 1 1 221 . 20 1 1 A 19 19 SER CB C 19 63.200 62.930 0.270 1 1 222 . 20 1 1 A 19 19 SER N N 19 115.800 117.695 -1.895 1 1 223 . 20 1 1 A 20 20 ASN H H 20 8.720 8.289 0.431 1 1 224 . 20 1 1 A 20 20 ASN HA H 20 4.560 4.611 -0.051 1 1 229 . 20 1 1 A 20 20 ASN C C 20 175.300 176.125 -0.825 1 1 230 . 20 1 1 A 20 20 ASN CA C 20 53.300 54.042 -0.742 1 1 231 . 20 1 1 A 20 20 ASN CB C 20 37.300 38.107 -0.807 1 1 233 . 20 1 1 A 20 20 ASN N N 20 115.000 118.313 -3.313 1 1 235 . 20 1 1 A 21 21 TYR H H 21 7.040 7.785 -0.745 1 1 236 . 20 1 1 A 21 21 TYR HA H 21 4.290 4.584 -0.294 1 1 243 . 20 1 1 A 21 21 TYR C C 21 175.700 176.213 -0.513 1 1 244 . 20 1 1 A 21 21 TYR CA C 21 58.800 57.949 0.851 1 1 245 . 20 1 1 A 21 21 TYR CB C 21 39.400 38.698 0.702 1 1 250 . 20 1 1 A 21 21 TYR N N 21 119.200 115.961 3.239 1 1 251 . 20 1 1 A 22 22 GLY H H 22 8.450 7.638 0.812 1 1 252 . 20 1 1 A 22 22 GLY HA2 H 22 3.820 4.046 -0.226 1 1 253 . 20 1 1 A 22 22 GLY HA3 H 22 4.090 4.049 0.041 1 1 254 . 20 1 1 A 22 22 GLY C C 22 172.700 173.137 -0.437 1 1 255 . 20 1 1 A 22 22 GLY CA C 22 45.300 44.996 0.304 1 1 256 . 20 1 1 A 22 22 GLY N N 22 107.800 108.347 -0.547 1 1 257 . 20 1 1 A 23 23 VAL H H 23 8.470 8.322 0.148 1 1 258 . 20 1 1 A 23 23 VAL HA H 23 4.320 4.907 -0.587 1 1 266 . 20 1 1 A 23 23 VAL C C 23 178.000 176.765 1.235 1 1 267 . 20 1 1 A 23 23 VAL CA C 23 63.700 60.794 2.906 1 1 268 . 20 1 1 A 23 23 VAL CB C 23 32.700 33.832 -1.132 1 1 271 . 20 1 1 A 23 23 VAL N N 23 120.200 119.400 0.800 1 1 272 . 20 1 1 A 24 24 ILE H H 24 9.120 8.635 0.485 1 1 273 . 20 1 1 A 24 24 ILE HA H 24 4.740 4.622 0.118 1 1 283 . 20 1 1 A 24 24 ILE C C 24 175.300 175.728 -0.428 1 1 284 . 20 1 1 A 24 24 ILE CA C 24 60.500 60.955 -0.455 1 1 285 . 20 1 1 A 24 24 ILE CB C 24 39.900 38.730 1.170 1 1 289 . 20 1 1 A 24 24 ILE N N 24 120.900 124.684 -3.784 1 1 290 . 20 1 1 A 25 25 GLY H H 25 7.770 7.513 0.257 1 1 291 . 20 1 1 A 25 25 GLY HA2 H 25 4.130 4.139 -0.009 1 1 292 . 20 1 1 A 25 25 GLY HA3 H 25 4.310 4.149 0.161 1 1 293 . 20 1 1 A 25 25 GLY C C 25 171.100 171.331 -0.231 1 1 294 . 20 1 1 A 25 25 GLY CA C 25 45.500 45.616 -0.116 1 1 295 . 20 1 1 A 25 25 GLY N N 25 109.200 108.733 0.467 1 1 296 . 20 1 1 A 26 26 THR H H 26 8.440 8.482 -0.042 1 1 297 . 20 1 1 A 26 26 THR HA H 26 5.080 5.304 -0.224 1 1 302 . 20 1 1 A 26 26 THR C C 26 173.000 173.471 -0.471 1 1 303 . 20 1 1 A 26 26 THR CA C 26 61.400 59.681 1.719 1 1 304 . 20 1 1 A 26 26 THR CB C 26 72.200 72.133 0.067 1 1 306 . 20 1 1 A 26 26 THR N N 26 113.900 111.777 2.123 1 1 307 . 20 1 1 A 27 27 LEU H H 27 9.180 9.345 -0.165 1 1 308 . 20 1 1 A 27 27 LEU HA H 27 4.480 5.011 -0.531 1 1 318 . 20 1 1 A 27 27 LEU C C 27 174.900 175.413 -0.513 1 1 319 . 20 1 1 A 27 27 LEU CA C 27 53.400 53.014 0.386 1 1 320 . 20 1 1 A 27 27 LEU CB C 27 45.000 43.934 1.066 1 1 324 . 20 1 1 A 27 27 LEU N N 27 125.600 123.006 2.594 1 1 325 . 20 1 1 A 28 28 ARG H H 28 9.280 8.331 0.949 1 1 326 . 20 1 1 A 28 28 ARG HA H 28 4.510 4.372 0.138 1 1 333 . 20 1 1 A 28 28 ARG C C 28 175.300 176.295 -0.995 1 1 334 . 20 1 1 A 28 28 ARG CA C 28 53.300 55.411 -2.111 1 1 335 . 20 1 1 A 28 28 ARG CB C 28 33.100 31.183 1.917 1 1 338 . 20 1 1 A 28 28 ARG N N 28 120.600 124.542 -3.942 1 1 339 . 20 1 1 A 29 29 ASN H H 29 8.360 8.848 -0.488 1 1 340 . 20 1 1 A 29 29 ASN HA H 29 4.070 4.410 -0.340 1 1 345 . 20 1 1 A 29 29 ASN C C 29 176.500 176.381 0.119 1 1 346 . 20 1 1 A 29 29 ASN CA C 29 56.100 53.920 2.180 1 1 347 . 20 1 1 A 29 29 ASN CB C 29 39.300 38.814 0.486 1 1 349 . 20 1 1 A 29 29 ASN N N 29 117.200 122.160 -4.960 1 1 351 . 20 1 1 A 30 30 ASN H H 30 9.290 8.805 0.485 1 1 352 . 20 1 1 A 30 30 ASN HA H 30 4.300 4.333 -0.033 1 1 357 . 20 1 1 A 30 30 ASN C C 30 175.100 174.841 0.259 1 1 358 . 20 1 1 A 30 30 ASN CA C 30 55.500 54.025 1.475 1 1 359 . 20 1 1 A 30 30 ASN CB C 30 37.300 37.500 -0.200 1 1 361 . 20 1 1 A 30 30 ASN N N 30 118.900 121.340 -2.440 1 1 363 . 20 1 1 A 31 31 ASP H H 31 8.210 7.505 0.705 1 1 364 . 20 1 1 A 31 31 ASP HA H 31 4.700 4.795 -0.095 1 1 367 . 20 1 1 A 31 31 ASP C C 31 175.300 175.663 -0.363 1 1 368 . 20 1 1 A 31 31 ASP CA C 31 56.500 53.635 2.865 1 1 369 . 20 1 1 A 31 31 ASP CB C 31 41.200 41.208 -0.008 1 1 370 . 20 1 1 A 31 31 ASP N N 31 122.300 119.610 2.690 1 1 371 . 20 1 1 A 32 32 LYS H H 32 8.510 8.512 -0.002 1 1 372 . 20 1 1 A 32 32 LYS HA H 32 5.140 4.446 0.694 1 1 381 . 20 1 1 A 32 32 LYS C C 32 176.600 176.661 -0.061 1 1 382 . 20 1 1 A 32 32 LYS CA C 32 55.400 56.540 -1.140 1 1 383 . 20 1 1 A 32 32 LYS CB C 32 33.500 32.822 0.678 1 1 387 . 20 1 1 A 32 32 LYS N N 32 121.500 127.092 -5.592 1 1 388 . 20 1 1 A 33 33 VAL H H 33 8.650 8.722 -0.072 1 1 389 . 20 1 1 A 33 33 VAL HA H 33 5.020 4.982 0.038 1 1 397 . 20 1 1 A 33 33 VAL C C 33 174.200 174.232 -0.032 1 1 398 . 20 1 1 A 33 33 VAL CA C 33 58.200 58.832 -0.632 1 1 399 . 20 1 1 A 33 33 VAL CB C 33 34.900 35.962 -1.062 1 1 402 . 20 1 1 A 33 33 VAL N N 33 113.500 117.784 -4.284 1 1 403 . 20 1 1 A 34 34 GLU H H 34 8.070 8.752 -0.682 1 1 404 . 20 1 1 A 34 34 GLU HA H 34 4.780 4.861 -0.081 1 1 409 . 20 1 1 A 34 34 GLU C C 34 176.000 175.490 0.510 1 1 410 . 20 1 1 A 34 34 GLU CA C 34 55.000 55.411 -0.411 1 1 411 . 20 1 1 A 34 34 GLU CB C 34 31.400 31.529 -0.129 1 1 413 . 20 1 1 A 34 34 GLU N N 34 122.300 120.723 1.577 1 1 414 . 20 1 1 A 35 35 ILE H H 35 8.610 8.864 -0.254 1 1 415 . 20 1 1 A 35 35 ILE HA H 35 4.100 4.465 -0.365 1 1 425 . 20 1 1 A 35 35 ILE C C 35 175.600 175.251 0.349 1 1 426 . 20 1 1 A 35 35 ILE CA C 35 61.200 61.196 0.004 1 1 427 . 20 1 1 A 35 35 ILE CB C 35 38.800 37.103 1.697 1 1 431 . 20 1 1 A 35 35 ILE N N 35 125.500 124.868 0.632 1 1 432 . 20 1 1 A 36 36 ILE H H 36 9.450 8.585 0.865 1 1 433 . 20 1 1 A 36 36 ILE HA H 36 3.990 3.855 0.135 1 1 443 . 20 1 1 A 36 36 ILE C C 36 176.500 176.209 0.291 1 1 444 . 20 1 1 A 36 36 ILE CA C 36 63.100 63.793 -0.693 1 1 445 . 20 1 1 A 36 36 ILE CB C 36 38.800 38.089 0.711 1 1 449 . 20 1 1 A 36 36 ILE N N 36 129.500 129.519 -0.019 1 1 450 . 20 1 1 A 37 37 LYS H H 37 7.630 7.461 0.169 1 1 451 . 20 1 1 A 37 37 LYS HA H 37 4.670 4.577 0.093 1 1 460 . 20 1 1 A 37 37 LYS C C 37 173.100 173.582 -0.482 1 1 461 . 20 1 1 A 37 37 LYS CA C 37 55.700 55.044 0.656 1 1 462 . 20 1 1 A 37 37 LYS CB C 37 34.700 34.360 0.340 1 1 466 . 20 1 1 A 37 37 LYS N N 37 113.300 114.588 -1.288 1 1 467 . 20 1 1 A 38 38 GLU H H 38 8.800 8.764 0.036 1 1 468 . 20 1 1 A 38 38 GLU HA H 38 5.360 5.288 0.072 1 1 473 . 20 1 1 A 38 38 GLU C C 38 175.300 175.176 0.124 1 1 474 . 20 1 1 A 38 38 GLU CA C 38 55.400 54.734 0.666 1 1 475 . 20 1 1 A 38 38 GLU CB C 38 32.500 32.600 -0.100 1 1 477 . 20 1 1 A 38 38 GLU N N 38 122.000 121.254 0.746 1 1 478 . 20 1 1 A 39 39 VAL H H 39 9.550 8.853 0.697 1 1 479 . 20 1 1 A 39 39 VAL HA H 39 4.360 4.605 -0.245 1 1 487 . 20 1 1 A 39 39 VAL C C 39 174.500 176.120 -1.620 1 1 488 . 20 1 1 A 39 39 VAL CA C 39 61.600 61.174 0.426 1 1 489 . 20 1 1 A 39 39 VAL CB C 39 34.400 34.456 -0.056 1 1 492 . 20 1 1 A 39 39 VAL N N 39 126.000 126.210 -0.210 1 1 493 . 20 1 1 A 40 40 ASP H H 40 8.960 9.611 -0.651 1 1 494 . 20 1 1 A 40 40 ASP HA H 40 4.340 4.378 -0.038 1 1 497 . 20 1 1 A 40 40 ASP C C 40 175.800 175.530 0.270 1 1 498 . 20 1 1 A 40 40 ASP CA C 40 55.900 55.230 0.670 1 1 499 . 20 1 1 A 40 40 ASP CB C 40 40.700 39.898 0.802 1 1 500 . 20 1 1 A 40 40 ASP N N 40 125.700 127.721 -2.021 1 1 501 . 20 1 1 A 41 41 GLY H H 41 8.870 9.145 -0.275 1 1 502 . 20 1 1 A 41 41 GLY HA2 H 41 3.510 3.868 -0.358 1 1 503 . 20 1 1 A 41 41 GLY HA3 H 41 4.190 3.918 0.272 1 1 504 . 20 1 1 A 41 41 GLY C C 41 173.900 174.619 -0.719 1 1 505 . 20 1 1 A 41 41 GLY CA C 41 45.700 45.411 0.289 1 1 506 . 20 1 1 A 41 41 GLY N N 41 105.500 103.966 1.534 1 1 507 . 20 1 1 A 42 42 TRP H H 42 8.580 8.558 0.022 1 1 508 . 20 1 1 A 42 42 TRP HA H 42 4.700 4.795 -0.095 1 1 517 . 20 1 1 A 42 42 TRP C C 42 175.300 176.172 -0.872 1 1 518 . 20 1 1 A 42 42 TRP CA C 42 56.300 57.800 -1.500 1 1 519 . 20 1 1 A 42 42 TRP CB C 42 31.300 30.649 0.651 1 1 525 . 20 1 1 A 42 42 TRP N N 42 122.900 121.357 1.543 1 1 527 . 20 1 1 A 43 43 TYR H H 43 9.400 9.454 -0.054 1 1 528 . 20 1 1 A 43 43 TYR HA H 43 5.630 5.231 0.399 1 1 535 . 20 1 1 A 43 43 TYR C C 43 175.800 175.075 0.725 1 1 536 . 20 1 1 A 43 43 TYR CA C 43 55.900 57.412 -1.512 1 1 537 . 20 1 1 A 43 43 TYR CB C 43 40.200 39.761 0.439 1 1 542 . 20 1 1 A 43 43 TYR N N 43 119.000 122.237 -3.237 1 1 543 . 20 1 1 A 44 44 GLU H H 44 9.110 8.885 0.225 1 1 544 . 20 1 1 A 44 44 GLU HA H 44 4.040 4.436 -0.396 1 1 549 . 20 1 1 A 44 44 GLU C C 44 175.500 176.439 -0.939 1 1 550 . 20 1 1 A 44 44 GLU CA C 44 55.500 56.158 -0.658 1 1 551 . 20 1 1 A 44 44 GLU CB C 44 31.200 30.304 0.896 1 1 553 . 20 1 1 A 44 44 GLU N N 44 125.600 125.272 0.328 1 1 554 . 20 1 1 A 45 45 ILE H H 45 9.300 8.545 0.755 1 1 555 . 20 1 1 A 45 45 ILE HA H 45 5.550 5.433 0.117 1 1 565 . 20 1 1 A 45 45 ILE C C 45 173.700 173.523 0.177 1 1 566 . 20 1 1 A 45 45 ILE CA C 45 58.300 58.475 -0.175 1 1 567 . 20 1 1 A 45 45 ILE CB C 45 43.200 42.245 0.955 1 1 571 . 20 1 1 A 45 45 ILE N N 45 122.700 121.036 1.664 1 1 572 . 20 1 1 A 46 46 ARG H H 46 8.730 8.392 0.338 1 1 573 . 20 1 1 A 46 46 ARG HA H 46 5.310 5.644 -0.334 1 1 580 . 20 1 1 A 46 46 ARG C C 46 176.400 174.629 1.771 1 1 581 . 20 1 1 A 46 46 ARG CA C 46 54.400 54.362 0.038 1 1 582 . 20 1 1 A 46 46 ARG CB C 46 33.600 33.523 0.077 1 1 585 . 20 1 1 A 46 46 ARG N N 46 118.900 122.266 -3.366 1 1 586 . 20 1 1 A 47 47 PHE H H 47 9.080 9.582 -0.502 1 1 587 . 20 1 1 A 47 47 PHE HA H 47 4.850 4.855 -0.005 1 1 595 . 20 1 1 A 47 47 PHE C C 47 174.500 174.674 -0.174 1 1 596 . 20 1 1 A 47 47 PHE CA C 47 57.300 57.794 -0.494 1 1 597 . 20 1 1 A 47 47 PHE CB C 47 42.500 42.959 -0.459 1 1 603 . 20 1 1 A 47 47 PHE N N 47 126.500 126.915 -0.415 1 1 604 . 20 1 1 A 48 48 ASN H H 48 9.140 8.773 0.367 1 1 605 . 20 1 1 A 48 48 ASN HA H 48 4.080 4.074 0.006 1 1 610 . 20 1 1 A 48 48 ASN C C 48 175.100 174.648 0.452 1 1 611 . 20 1 1 A 48 48 ASN CA C 48 53.500 53.689 -0.189 1 1 612 . 20 1 1 A 48 48 ASN CB C 48 37.100 37.134 -0.034 1 1 614 . 20 1 1 A 48 48 ASN N N 48 128.500 125.352 3.148 1 1 616 . 20 1 1 A 49 49 GLY H H 49 8.600 8.543 0.057 1 1 617 . 20 1 1 A 49 49 GLY HA2 H 49 3.510 3.810 -0.300 1 1 618 . 20 1 1 A 49 49 GLY HA3 H 49 4.110 3.814 0.296 1 1 619 . 20 1 1 A 49 49 GLY C C 49 173.600 173.758 -0.158 1 1 620 . 20 1 1 A 49 49 GLY CA C 49 45.600 45.599 0.001 1 1 621 . 20 1 1 A 49 49 GLY N N 49 103.100 103.741 -0.641 1 1 622 . 20 1 1 A 50 50 LYS H H 50 7.850 7.958 -0.108 1 1 623 . 20 1 1 A 50 50 LYS HA H 50 4.620 4.690 -0.070 1 1 632 . 20 1 1 A 50 50 LYS C C 50 174.600 174.925 -0.325 1 1 633 . 20 1 1 A 50 50 LYS CA C 50 54.900 54.928 -0.028 1 1 634 . 20 1 1 A 50 50 LYS CB C 50 35.100 34.992 0.108 1 1 638 . 20 1 1 A 50 50 LYS N N 50 121.700 121.025 0.675 1 1 639 . 20 1 1 A 51 51 VAL H H 51 8.120 8.769 -0.649 1 1 640 . 20 1 1 A 51 51 VAL HA H 51 5.100 5.047 0.053 1 1 648 . 20 1 1 A 51 51 VAL C C 51 176.100 175.596 0.504 1 1 649 . 20 1 1 A 51 51 VAL CA C 51 60.700 60.266 0.434 1 1 650 . 20 1 1 A 51 51 VAL CB C 51 33.400 33.916 -0.516 1 1 653 . 20 1 1 A 51 51 VAL N N 51 122.100 126.794 -4.694 1 1 654 . 20 1 1 A 52 52 GLY H H 52 8.430 8.230 0.200 1 1 655 . 20 1 1 A 52 52 GLY HA2 H 52 3.760 4.337 -0.577 1 1 656 . 20 1 1 A 52 52 GLY HA3 H 52 4.230 4.346 -0.116 1 1 657 . 20 1 1 A 52 52 GLY C C 52 170.300 171.481 -1.181 1 1 658 . 20 1 1 A 52 52 GLY CA C 52 45.600 45.941 -0.341 1 1 659 . 20 1 1 A 52 52 GLY N N 52 113.100 112.644 0.456 1 1 660 . 20 1 1 A 53 53 TYR H H 53 9.260 8.863 0.397 1 1 661 . 20 1 1 A 53 53 TYR HA H 53 5.990 5.787 0.203 1 1 668 . 20 1 1 A 53 53 TYR C C 53 175.700 174.862 0.838 1 1 669 . 20 1 1 A 53 53 TYR CA C 53 56.800 56.703 0.097 1 1 670 . 20 1 1 A 53 53 TYR CB C 53 42.800 43.337 -0.537 1 1 675 . 20 1 1 A 53 53 TYR N N 53 118.000 119.279 -1.279 1 1 676 . 20 1 1 A 54 54 ALA H H 54 9.210 8.799 0.411 1 1 677 . 20 1 1 A 54 54 ALA HA H 54 5.280 5.109 0.171 1 1 681 . 20 1 1 A 54 54 ALA C C 54 175.800 176.446 -0.646 1 1 682 . 20 1 1 A 54 54 ALA CA C 54 50.900 51.245 -0.345 1 1 683 . 20 1 1 A 54 54 ALA CB C 54 23.800 23.268 0.532 1 1 684 . 20 1 1 A 54 54 ALA N N 54 122.000 122.088 -0.088 1 1 685 . 20 1 1 A 55 55 SER H H 55 8.620 8.721 -0.101 1 1 686 . 20 1 1 A 55 55 SER HA H 55 3.270 4.235 -0.965 1 1 689 . 20 1 1 A 55 55 SER C C 55 175.400 175.551 -0.151 1 1 690 . 20 1 1 A 55 55 SER CA C 55 59.100 57.570 1.530 1 1 691 . 20 1 1 A 55 55 SER CB C 55 63.200 64.519 -1.319 1 1 692 . 20 1 1 A 55 55 SER N N 55 117.400 113.293 4.107 1 1 693 . 20 1 1 A 56 56 LYS H H 56 7.630 8.423 -0.793 1 1 694 . 20 1 1 A 56 56 LYS HA H 56 3.750 3.180 0.570 1 1 703 . 20 1 1 A 56 56 LYS C C 56 177.100 178.757 -1.657 1 1 704 . 20 1 1 A 56 56 LYS CA C 56 58.600 58.484 0.116 1 1 705 . 20 1 1 A 56 56 LYS CB C 56 32.300 31.769 0.531 1 1 709 . 20 1 1 A 56 56 LYS N N 56 124.500 120.063 4.437 1 1 710 . 20 1 1 A 57 57 SER H H 57 7.670 7.896 -0.226 1 1 711 . 20 1 1 A 57 57 SER HA H 57 3.930 4.037 -0.107 1 1 714 . 20 1 1 A 57 57 SER C C 57 174.100 175.781 -1.681 1 1 715 . 20 1 1 A 57 57 SER CA C 57 60.700 61.070 -0.370 1 1 716 . 20 1 1 A 57 57 SER CB C 57 62.800 62.758 0.042 1 1 717 . 20 1 1 A 57 57 SER N N 57 112.000 115.191 -3.191 1 1 718 . 20 1 1 A 58 58 TYR H H 58 6.990 7.682 -0.692 1 1 719 . 20 1 1 A 58 58 TYR HA H 58 4.800 4.567 0.233 1 1 726 . 20 1 1 A 58 58 TYR C C 58 173.300 174.878 -1.578 1 1 727 . 20 1 1 A 58 58 TYR CA C 58 57.400 59.236 -1.836 1 1 728 . 20 1 1 A 58 58 TYR CB C 58 40.500 38.769 1.731 1 1 733 . 20 1 1 A 58 58 TYR N N 58 116.100 117.470 -1.370 1 1 734 . 20 1 1 A 59 59 ILE H H 59 7.300 7.382 -0.082 1 1 735 . 20 1 1 A 59 59 ILE HA H 59 4.790 4.970 -0.180 1 1 745 . 20 1 1 A 59 59 ILE C C 59 174.500 174.324 0.176 1 1 746 . 20 1 1 A 59 59 ILE CA C 59 59.300 60.195 -0.895 1 1 747 . 20 1 1 A 59 59 ILE CB C 59 40.800 40.865 -0.065 1 1 751 . 20 1 1 A 59 59 ILE N N 59 119.000 120.284 -1.284 1 1 752 . 20 1 1 A 60 60 THR H H 60 8.980 8.896 0.084 1 1 753 . 20 1 1 A 60 60 THR HA H 60 4.580 4.958 -0.378 1 1 758 . 20 1 1 A 60 60 THR C C 60 173.800 173.722 0.078 1 1 759 . 20 1 1 A 60 60 THR CA C 60 60.800 61.896 -1.096 1 1 760 . 20 1 1 A 60 60 THR CB C 60 71.100 70.359 0.741 1 1 762 . 20 1 1 A 60 60 THR N N 60 123.600 124.531 -0.931 1 1 763 . 20 1 1 A 61 61 ILE H H 61 8.680 8.811 -0.131 1 1 764 . 20 1 1 A 61 61 ILE HA H 61 4.180 4.519 -0.339 1 1 774 . 20 1 1 A 61 61 ILE C C 61 176.400 176.125 0.275 1 1 775 . 20 1 1 A 61 61 ILE CA C 61 61.800 60.887 0.913 1 1 776 . 20 1 1 A 61 61 ILE CB C 61 37.900 38.086 -0.186 1 1 780 . 20 1 1 A 61 61 ILE N N 61 127.200 128.626 -1.426 1 1 781 . 20 1 1 A 62 62 VAL H H 62 8.370 8.637 -0.267 1 1 782 . 20 1 1 A 62 62 VAL HA H 62 4.140 4.517 -0.377 1 1 790 . 20 1 1 A 62 62 VAL C C 62 175.200 175.374 -0.174 1 1 791 . 20 1 1 A 62 62 VAL CA C 62 61.800 61.283 0.517 1 1 792 . 20 1 1 A 62 62 VAL CB C 62 33.200 33.089 0.111 1 1 795 . 20 1 1 A 62 62 VAL N N 62 126.600 124.423 2.177 1 1 796 . 20 1 1 A 63 63 ASN H H 63 8.590 8.800 -0.210 1 1 797 . 20 1 1 A 63 63 ASN HA H 63 4.730 4.785 -0.055 1 1 802 . 20 1 1 A 63 63 ASN C C 63 175.200 175.911 -0.711 1 1 803 . 20 1 1 A 63 63 ASN CA C 63 53.200 54.007 -0.807 1 1 804 . 20 1 1 A 63 63 ASN CB C 63 39.100 38.885 0.215 1 1 806 . 20 1 1 A 63 63 ASN N N 63 123.500 121.639 1.861 1 1 808 . 20 1 1 A 64 64 GLU H H 64 8.620 8.804 -0.184 1 1 809 . 20 1 1 A 64 64 GLU HA H 64 4.250 4.081 0.169 1 1 814 . 20 1 1 A 64 64 GLU C C 64 177.000 177.424 -0.424 1 1 815 . 20 1 1 A 64 64 GLU CA C 64 57.100 58.253 -1.153 1 1 816 . 20 1 1 A 64 64 GLU CB C 64 30.400 29.963 0.437 1 1 818 . 20 1 1 A 64 64 GLU N N 64 122.700 123.397 -0.697 1 1 819 . 20 1 1 A 65 65 GLY H H 65 8.490 8.114 0.376 1 1 820 . 20 1 1 A 65 65 GLY HA2 H 65 3.980 3.953 0.027 1 1 821 . 20 1 1 A 65 65 GLY HA3 H 65 3.980 3.955 0.025 1 1 822 . 20 1 1 A 65 65 GLY C C 65 174.300 174.111 0.189 1 1 823 . 20 1 1 A 65 65 GLY CA C 65 45.500 46.047 -0.547 1 1 824 . 20 1 1 A 65 65 GLY N N 65 109.600 108.783 0.817 1 1 825 . 20 1 1 A 66 66 SER H H 66 8.180 8.886 -0.706 1 1 826 . 20 1 1 A 66 66 SER HA H 66 4.450 4.148 0.302 1 1 829 . 20 1 1 A 66 66 SER C C 66 174.900 174.594 0.306 1 1 830 . 20 1 1 A 66 66 SER CA C 66 58.300 58.771 -0.471 1 1 831 . 20 1 1 A 66 66 SER CB C 66 63.700 61.610 2.090 1 1 832 . 20 1 1 A 66 66 SER N N 66 115.500 118.157 -2.657 1 1 833 . 20 1 1 A 67 67 LEU H H 67 8.300 7.952 0.348 1 1 834 . 20 1 1 A 67 67 LEU HA H 67 4.300 4.276 0.024 1 1 844 . 20 1 1 A 67 67 LEU C C 67 177.500 176.480 1.020 1 1 845 . 20 1 1 A 67 67 LEU CA C 67 55.400 54.464 0.936 1 1 846 . 20 1 1 A 67 67 LEU CB C 67 42.200 41.620 0.580 1 1 850 . 20 1 1 A 67 67 LEU N N 67 123.800 127.834 -4.034 1 1 851 . 20 1 1 A 68 68 GLU H H 68 8.270 7.775 0.495 1 1 852 . 20 1 1 A 68 68 GLU HA H 68 4.160 4.194 -0.034 1 1 857 . 20 1 1 A 68 68 GLU CA C 68 56.900 56.689 0.211 1 1 858 . 20 1 1 A 68 68 GLU CB C 68 30.100 29.944 0.156 1 1 860 . 20 1 1 A 68 68 GLU N N 68 120.700 122.123 -1.423 1 1 861 . 20 1 1 A 69 69 HIS C C 69 173.900 176.795 -2.895 1 1 862 . 20 1 1 A 70 70 HIS H H 70 8.140 9.321 -1.181 1 1 863 . 20 1 1 A 70 70 HIS CA C 70 57.200 59.883 -2.683 1 1 864 . 20 1 1 A 70 70 HIS CB C 70 30.200 30.308 -0.108 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 66 1.077 1 2 1 1 1 "RMS(OBS, PRED)" CA 68 1.115 1 3 1 1 1 "RMS(OBS, PRED)" CB 59 0.932 1 4 1 1 1 "RMS(OBS, PRED)" H 67 0.502 1 5 1 1 1 "RMS(OBS, PRED)" HA 76 0.355 1 6 1 1 1 "RMS(OBS, PRED)" N 66 2.602 1 7 1 2 1 "RMS(OBS, PRED)" C 66 0.913 1 8 1 2 1 "RMS(OBS, PRED)" CA 68 1.027 1 9 1 2 1 "RMS(OBS, PRED)" CB 59 0.938 1 10 1 2 1 "RMS(OBS, PRED)" H 67 0.471 1 11 1 2 1 "RMS(OBS, PRED)" HA 76 0.445 1 12 1 2 1 "RMS(OBS, PRED)" N 66 2.724 1 13 1 3 1 "RMS(OBS, PRED)" C 66 0.971 1 14 1 3 1 "RMS(OBS, PRED)" CA 68 1.104 1 15 1 3 1 "RMS(OBS, PRED)" CB 59 0.969 1 16 1 3 1 "RMS(OBS, PRED)" H 67 0.470 1 17 1 3 1 "RMS(OBS, PRED)" HA 76 0.450 1 18 1 3 1 "RMS(OBS, PRED)" N 66 2.743 1 19 1 4 1 "RMS(OBS, PRED)" C 66 0.872 1 20 1 4 1 "RMS(OBS, PRED)" CA 68 0.939 1 21 1 4 1 "RMS(OBS, PRED)" CB 59 1.019 1 22 1 4 1 "RMS(OBS, PRED)" H 67 0.489 1 23 1 4 1 "RMS(OBS, PRED)" HA 76 0.423 1 24 1 4 1 "RMS(OBS, PRED)" N 66 2.634 1 25 1 5 1 "RMS(OBS, PRED)" C 66 0.891 1 26 1 5 1 "RMS(OBS, PRED)" CA 68 1.021 1 27 1 5 1 "RMS(OBS, PRED)" CB 59 1.052 1 28 1 5 1 "RMS(OBS, PRED)" H 67 0.448 1 29 1 5 1 "RMS(OBS, PRED)" HA 76 0.451 1 30 1 5 1 "RMS(OBS, PRED)" N 66 2.320 1 31 1 6 1 "RMS(OBS, PRED)" C 66 0.846 1 32 1 6 1 "RMS(OBS, PRED)" CA 68 1.039 1 33 1 6 1 "RMS(OBS, PRED)" CB 59 0.819 1 34 1 6 1 "RMS(OBS, PRED)" H 67 0.421 1 35 1 6 1 "RMS(OBS, PRED)" HA 76 0.414 1 36 1 6 1 "RMS(OBS, PRED)" N 66 2.726 1 37 1 7 1 "RMS(OBS, PRED)" C 66 0.983 1 38 1 7 1 "RMS(OBS, PRED)" CA 68 1.104 1 39 1 7 1 "RMS(OBS, PRED)" CB 59 0.978 1 40 1 7 1 "RMS(OBS, PRED)" H 67 0.471 1 41 1 7 1 "RMS(OBS, PRED)" HA 76 0.379 1 42 1 7 1 "RMS(OBS, PRED)" N 66 2.722 1 43 1 8 1 "RMS(OBS, PRED)" C 66 1.061 1 44 1 8 1 "RMS(OBS, PRED)" CA 68 1.029 1 45 1 8 1 "RMS(OBS, PRED)" CB 59 0.844 1 46 1 8 1 "RMS(OBS, PRED)" H 67 0.454 1 47 1 8 1 "RMS(OBS, PRED)" HA 76 0.384 1 48 1 8 1 "RMS(OBS, PRED)" N 66 2.462 1 49 1 9 1 "RMS(OBS, PRED)" C 66 0.954 1 50 1 9 1 "RMS(OBS, PRED)" CA 68 0.971 1 51 1 9 1 "RMS(OBS, PRED)" CB 59 0.857 1 52 1 9 1 "RMS(OBS, PRED)" H 67 0.445 1 53 1 9 1 "RMS(OBS, PRED)" HA 76 0.406 1 54 1 9 1 "RMS(OBS, PRED)" N 66 2.525 1 55 1 10 1 "RMS(OBS, PRED)" C 66 0.889 1 56 1 10 1 "RMS(OBS, PRED)" CA 68 0.968 1 57 1 10 1 "RMS(OBS, PRED)" CB 59 0.913 1 58 1 10 1 "RMS(OBS, PRED)" H 67 0.461 1 59 1 10 1 "RMS(OBS, PRED)" HA 76 0.415 1 60 1 10 1 "RMS(OBS, PRED)" N 66 2.426 1 61 1 11 1 "RMS(OBS, PRED)" C 66 0.942 1 62 1 11 1 "RMS(OBS, PRED)" CA 68 1.032 1 63 1 11 1 "RMS(OBS, PRED)" CB 59 0.884 1 64 1 11 1 "RMS(OBS, PRED)" H 67 0.401 1 65 1 11 1 "RMS(OBS, PRED)" HA 76 0.393 1 66 1 11 1 "RMS(OBS, PRED)" N 66 2.262 1 67 1 12 1 "RMS(OBS, PRED)" C 66 0.895 1 68 1 12 1 "RMS(OBS, PRED)" CA 68 1.068 1 69 1 12 1 "RMS(OBS, PRED)" CB 59 0.796 1 70 1 12 1 "RMS(OBS, PRED)" H 67 0.459 1 71 1 12 1 "RMS(OBS, PRED)" HA 76 0.367 1 72 1 12 1 "RMS(OBS, PRED)" N 66 2.366 1 73 1 13 1 "RMS(OBS, PRED)" C 66 0.924 1 74 1 13 1 "RMS(OBS, PRED)" CA 68 1.009 1 75 1 13 1 "RMS(OBS, PRED)" CB 59 0.928 1 76 1 13 1 "RMS(OBS, PRED)" H 67 0.488 1 77 1 13 1 "RMS(OBS, PRED)" HA 76 0.418 1 78 1 13 1 "RMS(OBS, PRED)" N 66 2.480 1 79 1 14 1 "RMS(OBS, PRED)" C 66 0.994 1 80 1 14 1 "RMS(OBS, PRED)" CA 68 1.159 1 81 1 14 1 "RMS(OBS, PRED)" CB 59 0.969 1 82 1 14 1 "RMS(OBS, PRED)" H 67 0.425 1 83 1 14 1 "RMS(OBS, PRED)" HA 76 0.456 1 84 1 14 1 "RMS(OBS, PRED)" N 66 2.692 1 85 1 15 1 "RMS(OBS, PRED)" C 66 0.884 1 86 1 15 1 "RMS(OBS, PRED)" CA 68 1.139 1 87 1 15 1 "RMS(OBS, PRED)" CB 59 0.942 1 88 1 15 1 "RMS(OBS, PRED)" H 67 0.440 1 89 1 15 1 "RMS(OBS, PRED)" HA 76 0.444 1 90 1 15 1 "RMS(OBS, PRED)" N 66 2.541 1 91 1 16 1 "RMS(OBS, PRED)" C 66 0.883 1 92 1 16 1 "RMS(OBS, PRED)" CA 68 1.040 1 93 1 16 1 "RMS(OBS, PRED)" CB 59 0.909 1 94 1 16 1 "RMS(OBS, PRED)" H 67 0.357 1 95 1 16 1 "RMS(OBS, PRED)" HA 76 0.453 1 96 1 16 1 "RMS(OBS, PRED)" N 66 2.503 1 97 1 17 1 "RMS(OBS, PRED)" C 66 1.056 1 98 1 17 1 "RMS(OBS, PRED)" CA 68 1.081 1 99 1 17 1 "RMS(OBS, PRED)" CB 59 0.866 1 100 1 17 1 "RMS(OBS, PRED)" H 67 0.401 1 101 1 17 1 "RMS(OBS, PRED)" HA 76 0.427 1 102 1 17 1 "RMS(OBS, PRED)" N 66 2.290 1 103 1 18 1 "RMS(OBS, PRED)" C 66 1.101 1 104 1 18 1 "RMS(OBS, PRED)" CA 68 0.931 1 105 1 18 1 "RMS(OBS, PRED)" CB 59 0.872 1 106 1 18 1 "RMS(OBS, PRED)" H 67 0.492 1 107 1 18 1 "RMS(OBS, PRED)" HA 76 0.442 1 108 1 18 1 "RMS(OBS, PRED)" N 66 2.412 1 109 1 19 1 "RMS(OBS, PRED)" C 66 0.960 1 110 1 19 1 "RMS(OBS, PRED)" CA 68 1.034 1 111 1 19 1 "RMS(OBS, PRED)" CB 59 0.850 1 112 1 19 1 "RMS(OBS, PRED)" H 67 0.430 1 113 1 19 1 "RMS(OBS, PRED)" HA 76 0.428 1 114 1 19 1 "RMS(OBS, PRED)" N 66 2.290 1 115 1 20 1 "RMS(OBS, PRED)" C 66 1.014 1 116 1 20 1 "RMS(OBS, PRED)" CA 68 1.052 1 117 1 20 1 "RMS(OBS, PRED)" CB 59 0.828 1 118 1 20 1 "RMS(OBS, PRED)" H 67 0.484 1 119 1 20 1 "RMS(OBS, PRED)" HA 76 0.415 1 120 1 20 1 "RMS(OBS, PRED)" N 66 2.719 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 14 . 1 1 A 2 2 GLN H H 2 9.330 8.898 0.432 2 1 15 . 1 1 A 2 2 GLN HA H 2 5.000 5.067 -0.067 2 1 22 . 1 1 A 2 2 GLN C C 2 174.500 175.460 -0.960 2 1 23 . 1 1 A 2 2 GLN CA C 2 55.500 54.170 1.330 2 1 24 . 1 1 A 2 2 GLN CB C 2 31.700 31.322 0.378 2 1 26 . 1 1 A 2 2 GLN N N 2 125.400 124.579 0.821 2 1 28 . 1 1 A 3 3 GLY H H 3 8.860 8.839 0.021 2 1 29 . 1 1 A 3 3 GLY HA2 H 3 3.070 4.092 -1.022 2 1 30 . 1 1 A 3 3 GLY HA3 H 3 5.250 4.106 1.144 2 1 31 . 1 1 A 3 3 GLY C C 3 171.800 172.509 -0.709 2 1 32 . 1 1 A 3 3 GLY CA C 3 44.300 44.456 -0.156 2 1 33 . 1 1 A 3 3 GLY N N 3 108.200 112.308 -4.108 2 1 34 . 1 1 A 4 4 VAL H H 4 9.060 8.677 0.383 2 1 35 . 1 1 A 4 4 VAL HA H 4 5.080 4.854 0.227 2 1 43 . 1 1 A 4 4 VAL C C 4 174.500 174.755 -0.255 2 1 44 . 1 1 A 4 4 VAL CA C 4 59.800 60.528 -0.728 2 1 45 . 1 1 A 4 4 VAL CB C 4 35.300 34.889 0.411 2 1 48 . 1 1 A 4 4 VAL N N 4 120.200 122.177 -1.977 2 1 49 . 1 1 A 5 5 VAL H H 5 8.750 8.697 0.053 2 1 50 . 1 1 A 5 5 VAL HA H 5 4.190 4.495 -0.305 2 1 58 . 1 1 A 5 5 VAL C C 5 175.800 175.012 0.788 2 1 59 . 1 1 A 5 5 VAL CA C 5 62.800 61.954 0.846 2 1 60 . 1 1 A 5 5 VAL CB C 5 31.900 32.125 -0.225 2 1 63 . 1 1 A 5 5 VAL N N 5 128.600 128.212 0.388 2 1 64 . 1 1 A 6 6 LYS H H 6 8.830 8.849 -0.019 2 1 65 . 1 1 A 6 6 LYS HA H 6 5.250 5.030 0.219 2 1 74 . 1 1 A 6 6 LYS C C 6 174.800 175.161 -0.361 2 1 75 . 1 1 A 6 6 LYS CA C 6 54.300 55.108 -0.808 2 1 76 . 1 1 A 6 6 LYS CB C 6 33.200 34.198 -0.998 2 1 80 . 1 1 A 6 6 LYS N N 6 131.400 127.728 3.672 2 1 81 . 1 1 A 7 7 VAL H H 7 8.270 8.646 -0.376 2 1 82 . 1 1 A 7 7 VAL HA H 7 4.640 4.863 -0.223 2 1 90 . 1 1 A 7 7 VAL C C 7 173.400 176.009 -2.609 2 1 91 . 1 1 A 7 7 VAL CA C 7 59.700 59.694 0.006 2 1 92 . 1 1 A 7 7 VAL CB C 7 35.400 35.471 -0.071 2 1 95 . 1 1 A 7 7 VAL N N 7 119.000 122.856 -3.856 2 1 96 . 1 1 A 8 8 ASN H H 8 8.560 8.956 -0.396 2 1 97 . 1 1 A 8 8 ASN HA H 8 4.690 4.527 0.163 2 1 102 . 1 1 A 8 8 ASN C C 8 175.600 175.751 -0.151 2 1 103 . 1 1 A 8 8 ASN CA C 8 54.500 55.737 -1.237 2 1 104 . 1 1 A 8 8 ASN CB C 8 38.700 38.684 0.016 2 1 106 . 1 1 A 8 8 ASN N N 8 120.700 124.474 -3.774 2 1 108 . 1 1 A 9 9 SER H H 9 7.630 7.976 -0.346 2 1 109 . 1 1 A 9 9 SER HA H 9 4.450 4.720 -0.270 2 1 112 . 1 1 A 9 9 SER C C 9 172.800 173.480 -0.680 2 1 113 . 1 1 A 9 9 SER CA C 9 58.100 58.240 -0.140 2 1 114 . 1 1 A 9 9 SER CB C 9 63.500 65.266 -1.766 2 1 115 . 1 1 A 9 9 SER N N 9 112.800 111.979 0.821 2 1 116 . 1 1 A 10 10 ALA H H 10 8.330 7.946 0.384 2 1 117 . 1 1 A 10 10 ALA HA H 10 4.530 4.650 -0.120 2 1 121 . 1 1 A 10 10 ALA C C 10 175.300 175.555 -0.255 2 1 122 . 1 1 A 10 10 ALA CA C 10 52.400 51.675 0.725 2 1 123 . 1 1 A 10 10 ALA CB C 10 20.900 21.414 -0.514 2 1 124 . 1 1 A 10 10 ALA N N 10 123.900 121.924 1.976 2 1 125 . 1 1 A 11 11 LEU H H 11 8.930 8.769 0.161 2 1 126 . 1 1 A 11 11 LEU HA H 11 4.530 4.960 -0.430 2 1 136 . 1 1 A 11 11 LEU C C 11 175.300 175.529 -0.229 2 1 137 . 1 1 A 11 11 LEU CA C 11 52.600 53.301 -0.701 2 1 138 . 1 1 A 11 11 LEU CB C 11 45.900 45.425 0.475 2 1 142 . 1 1 A 11 11 LEU N N 11 123.600 123.290 0.310 2 1 143 . 1 1 A 12 12 ASN H H 12 8.800 8.696 0.104 2 1 144 . 1 1 A 12 12 ASN HA H 12 5.030 4.924 0.106 2 1 149 . 1 1 A 12 12 ASN C C 12 174.000 174.758 -0.758 2 1 150 . 1 1 A 12 12 ASN CA C 12 53.800 53.212 0.588 2 1 151 . 1 1 A 12 12 ASN CB C 12 39.500 39.228 0.272 2 1 153 . 1 1 A 12 12 ASN N N 12 123.600 124.532 -0.932 2 1 155 . 1 1 A 13 13 MET H H 13 8.630 8.898 -0.268 2 1 156 . 1 1 A 13 13 MET HA H 13 4.970 5.167 -0.197 2 1 164 . 1 1 A 13 13 MET C C 13 176.000 175.249 0.751 2 1 165 . 1 1 A 13 13 MET CA C 13 54.900 54.190 0.710 2 1 166 . 1 1 A 13 13 MET CB C 13 35.200 35.246 -0.046 2 1 169 . 1 1 A 13 13 MET N N 13 122.600 123.864 -1.264 2 1 170 . 1 1 A 14 14 ARG H H 14 9.730 8.633 1.097 2 1 171 . 1 1 A 14 14 ARG HA H 14 5.760 4.815 0.945 2 1 178 . 1 1 A 14 14 ARG C C 14 177.700 176.815 0.885 2 1 179 . 1 1 A 14 14 ARG CA C 14 54.900 54.458 0.442 2 1 180 . 1 1 A 14 14 ARG CB C 14 34.600 32.795 1.805 2 1 183 . 1 1 A 14 14 ARG N N 14 125.200 125.255 -0.055 2 1 184 . 1 1 A 15 15 SER H H 15 9.010 8.900 0.110 2 1 185 . 1 1 A 15 15 SER HA H 15 4.580 4.441 0.139 2 1 188 . 1 1 A 15 15 SER C C 15 173.100 174.404 -1.304 2 1 189 . 1 1 A 15 15 SER CA C 15 59.100 59.901 -0.801 2 1 190 . 1 1 A 15 15 SER CB C 15 63.600 63.738 -0.138 2 1 191 . 1 1 A 15 15 SER N N 15 113.600 116.731 -3.131 2 1 192 . 1 1 A 16 16 GLY H H 16 6.940 7.434 -0.494 2 1 193 . 1 1 A 16 16 GLY HA2 H 16 1.050 2.951 -1.901 2 1 194 . 1 1 A 16 16 GLY HA3 H 16 3.010 3.375 -0.365 2 1 195 . 1 1 A 16 16 GLY CA C 16 43.700 44.225 -0.525 2 1 196 . 1 1 A 16 16 GLY N N 16 109.500 107.874 1.626 2 1 197 . 1 1 A 17 17 PRO HA H 17 3.070 3.307 -0.237 2 1 204 . 1 1 A 17 17 PRO C C 17 172.400 175.187 -2.787 2 1 205 . 1 1 A 17 17 PRO CA C 17 60.200 61.773 -1.573 2 1 206 . 1 1 A 17 17 PRO CB C 17 28.300 29.449 -1.149 2 1 209 . 1 1 A 18 18 GLY H H 18 6.650 7.149 -0.499 2 1 210 . 1 1 A 18 18 GLY HA2 H 18 3.630 3.914 -0.284 2 1 211 . 1 1 A 18 18 GLY HA3 H 18 4.010 4.080 -0.070 2 1 212 . 1 1 A 18 18 GLY C C 18 173.200 174.501 -1.301 2 1 213 . 1 1 A 18 18 GLY CA C 18 46.200 45.312 0.888 2 1 214 . 1 1 A 18 18 GLY N N 18 110.400 109.807 0.593 2 1 215 . 1 1 A 19 19 SER H H 19 8.960 9.062 -0.102 2 1 216 . 1 1 A 19 19 SER HA H 19 4.200 4.358 -0.158 2 1 219 . 1 1 A 19 19 SER C C 19 173.600 175.295 -1.695 2 1 220 . 1 1 A 19 19 SER CA C 19 60.600 60.508 0.092 2 1 221 . 1 1 A 19 19 SER CB C 19 63.200 63.119 0.081 2 1 222 . 1 1 A 19 19 SER N N 19 115.800 117.657 -1.857 2 1 223 . 1 1 A 20 20 ASN H H 20 8.720 8.221 0.499 2 1 224 . 1 1 A 20 20 ASN HA H 20 4.560 4.620 -0.060 2 1 229 . 1 1 A 20 20 ASN C C 20 175.300 176.060 -0.761 2 1 230 . 1 1 A 20 20 ASN CA C 20 53.300 53.974 -0.674 2 1 231 . 1 1 A 20 20 ASN CB C 20 37.300 38.094 -0.794 2 1 233 . 1 1 A 20 20 ASN N N 20 115.000 118.845 -3.845 2 1 235 . 1 1 A 21 21 TYR H H 21 7.040 7.724 -0.684 2 1 236 . 1 1 A 21 21 TYR HA H 21 4.290 4.540 -0.250 2 1 243 . 1 1 A 21 21 TYR C C 21 175.700 176.188 -0.488 2 1 244 . 1 1 A 21 21 TYR CA C 21 58.800 58.368 0.432 2 1 245 . 1 1 A 21 21 TYR CB C 21 39.400 38.757 0.643 2 1 250 . 1 1 A 21 21 TYR N N 21 119.200 117.042 2.158 2 1 251 . 1 1 A 22 22 GLY H H 22 8.450 7.851 0.599 2 1 252 . 1 1 A 22 22 GLY HA2 H 22 3.820 4.079 -0.259 2 1 253 . 1 1 A 22 22 GLY HA3 H 22 4.090 4.083 0.007 2 1 254 . 1 1 A 22 22 GLY C C 22 172.700 172.928 -0.228 2 1 255 . 1 1 A 22 22 GLY CA C 22 45.300 44.851 0.449 2 1 256 . 1 1 A 22 22 GLY N N 22 107.800 108.043 -0.243 2 1 257 . 1 1 A 23 23 VAL H H 23 8.470 8.307 0.163 2 1 258 . 1 1 A 23 23 VAL HA H 23 4.320 4.887 -0.567 2 1 266 . 1 1 A 23 23 VAL C C 23 178.000 176.516 1.484 2 1 267 . 1 1 A 23 23 VAL CA C 23 63.700 60.778 2.922 2 1 268 . 1 1 A 23 23 VAL CB C 23 32.700 33.572 -0.872 2 1 271 . 1 1 A 23 23 VAL N N 23 120.200 119.386 0.814 2 1 272 . 1 1 A 24 24 ILE H H 24 9.120 8.736 0.384 2 1 273 . 1 1 A 24 24 ILE HA H 24 4.740 4.639 0.101 2 1 283 . 1 1 A 24 24 ILE C C 24 175.300 175.735 -0.435 2 1 284 . 1 1 A 24 24 ILE CA C 24 60.500 60.905 -0.405 2 1 285 . 1 1 A 24 24 ILE CB C 24 39.900 38.949 0.951 2 1 289 . 1 1 A 24 24 ILE N N 24 120.900 124.954 -4.054 2 1 290 . 1 1 A 25 25 GLY H H 25 7.770 7.529 0.241 2 1 291 . 1 1 A 25 25 GLY HA2 H 25 4.130 4.121 0.009 2 1 292 . 1 1 A 25 25 GLY HA3 H 25 4.310 4.129 0.181 2 1 293 . 1 1 A 25 25 GLY C C 25 171.100 171.351 -0.251 2 1 294 . 1 1 A 25 25 GLY CA C 25 45.500 45.693 -0.193 2 1 295 . 1 1 A 25 25 GLY N N 25 109.200 109.017 0.183 2 1 296 . 1 1 A 26 26 THR H H 26 8.440 8.498 -0.058 2 1 297 . 1 1 A 26 26 THR HA H 26 5.080 5.243 -0.163 2 1 302 . 1 1 A 26 26 THR C C 26 173.000 173.523 -0.523 2 1 303 . 1 1 A 26 26 THR CA C 26 61.400 60.397 1.003 2 1 304 . 1 1 A 26 26 THR CB C 26 72.200 71.689 0.511 2 1 306 . 1 1 A 26 26 THR N N 26 113.900 113.568 0.332 2 1 307 . 1 1 A 27 27 LEU H H 27 9.180 9.315 -0.135 2 1 308 . 1 1 A 27 27 LEU HA H 27 4.480 4.979 -0.499 2 1 318 . 1 1 A 27 27 LEU C C 27 174.900 175.641 -0.741 2 1 319 . 1 1 A 27 27 LEU CA C 27 53.400 53.221 0.179 2 1 320 . 1 1 A 27 27 LEU CB C 27 45.000 44.967 0.033 2 1 324 . 1 1 A 27 27 LEU N N 27 125.600 124.526 1.074 2 1 325 . 1 1 A 28 28 ARG H H 28 9.280 8.765 0.515 2 1 326 . 1 1 A 28 28 ARG HA H 28 4.510 4.738 -0.228 2 1 333 . 1 1 A 28 28 ARG C C 28 175.300 175.837 -0.537 2 1 334 . 1 1 A 28 28 ARG CA C 28 53.300 54.162 -0.862 2 1 335 . 1 1 A 28 28 ARG CB C 28 33.100 32.701 0.399 2 1 338 . 1 1 A 28 28 ARG N N 28 120.600 121.785 -1.185 2 1 339 . 1 1 A 29 29 ASN H H 29 8.360 8.700 -0.340 2 1 340 . 1 1 A 29 29 ASN HA H 29 4.070 4.642 -0.572 2 1 345 . 1 1 A 29 29 ASN C C 29 176.500 175.448 1.052 2 1 346 . 1 1 A 29 29 ASN CA C 29 56.100 53.350 2.750 2 1 347 . 1 1 A 29 29 ASN CB C 29 39.300 38.903 0.397 2 1 349 . 1 1 A 29 29 ASN N N 29 117.200 120.179 -2.979 2 1 351 . 1 1 A 30 30 ASN H H 30 9.290 8.887 0.403 2 1 352 . 1 1 A 30 30 ASN HA H 30 4.300 4.325 -0.025 2 1 357 . 1 1 A 30 30 ASN C C 30 175.100 174.057 1.043 2 1 358 . 1 1 A 30 30 ASN CA C 30 55.500 54.353 1.146 2 1 359 . 1 1 A 30 30 ASN CB C 30 37.300 37.548 -0.248 2 1 361 . 1 1 A 30 30 ASN N N 30 118.900 117.189 1.711 2 1 363 . 1 1 A 31 31 ASP H H 31 8.210 7.772 0.438 2 1 364 . 1 1 A 31 31 ASP HA H 31 4.700 4.761 -0.061 2 1 367 . 1 1 A 31 31 ASP C C 31 175.300 175.534 -0.234 2 1 368 . 1 1 A 31 31 ASP CA C 31 56.500 53.847 2.653 2 1 369 . 1 1 A 31 31 ASP CB C 31 41.200 41.317 -0.117 2 1 370 . 1 1 A 31 31 ASP N N 31 122.300 119.466 2.834 2 1 371 . 1 1 A 32 32 LYS H H 32 8.510 8.587 -0.077 2 1 372 . 1 1 A 32 32 LYS HA H 32 5.140 4.656 0.484 2 1 381 . 1 1 A 32 32 LYS C C 32 176.600 176.350 0.250 2 1 382 . 1 1 A 32 32 LYS CA C 32 55.400 56.124 -0.724 2 1 383 . 1 1 A 32 32 LYS CB C 32 33.500 33.259 0.241 2 1 387 . 1 1 A 32 32 LYS N N 32 121.500 125.579 -4.079 2 1 388 . 1 1 A 33 33 VAL H H 33 8.650 8.716 -0.066 2 1 389 . 1 1 A 33 33 VAL HA H 33 5.020 4.951 0.069 2 1 397 . 1 1 A 33 33 VAL C C 33 174.200 173.958 0.242 2 1 398 . 1 1 A 33 33 VAL CA C 33 58.200 58.750 -0.550 2 1 399 . 1 1 A 33 33 VAL CB C 33 34.900 35.857 -0.957 2 1 402 . 1 1 A 33 33 VAL N N 33 113.500 117.840 -4.340 2 1 403 . 1 1 A 34 34 GLU H H 34 8.070 8.765 -0.695 2 1 404 . 1 1 A 34 34 GLU HA H 34 4.780 4.892 -0.112 2 1 409 . 1 1 A 34 34 GLU C C 34 176.000 175.433 0.567 2 1 410 . 1 1 A 34 34 GLU CA C 34 55.000 55.301 -0.301 2 1 411 . 1 1 A 34 34 GLU CB C 34 31.400 31.567 -0.167 2 1 413 . 1 1 A 34 34 GLU N N 34 122.300 121.550 0.750 2 1 414 . 1 1 A 35 35 ILE H H 35 8.610 8.888 -0.278 2 1 415 . 1 1 A 35 35 ILE HA H 35 4.100 4.519 -0.419 2 1 425 . 1 1 A 35 35 ILE C C 35 175.600 175.479 0.121 2 1 426 . 1 1 A 35 35 ILE CA C 35 61.200 61.117 0.083 2 1 427 . 1 1 A 35 35 ILE CB C 35 38.800 37.857 0.943 2 1 431 . 1 1 A 35 35 ILE N N 35 125.500 126.198 -0.698 2 1 432 . 1 1 A 36 36 ILE H H 36 9.450 9.019 0.431 2 1 433 . 1 1 A 36 36 ILE HA H 36 3.990 4.068 -0.078 2 1 443 . 1 1 A 36 36 ILE C C 36 176.500 176.143 0.357 2 1 444 . 1 1 A 36 36 ILE CA C 36 63.100 63.151 -0.051 2 1 445 . 1 1 A 36 36 ILE CB C 36 38.800 38.276 0.524 2 1 449 . 1 1 A 36 36 ILE N N 36 129.500 128.992 0.508 2 1 450 . 1 1 A 37 37 LYS H H 37 7.630 7.604 0.026 2 1 451 . 1 1 A 37 37 LYS HA H 37 4.670 4.755 -0.084 2 1 460 . 1 1 A 37 37 LYS C C 37 173.100 173.821 -0.721 2 1 461 . 1 1 A 37 37 LYS CA C 37 55.700 55.220 0.480 2 1 462 . 1 1 A 37 37 LYS CB C 37 34.700 35.429 -0.729 2 1 466 . 1 1 A 37 37 LYS N N 37 113.300 116.326 -3.026 2 1 467 . 1 1 A 38 38 GLU H H 38 8.800 8.951 -0.151 2 1 468 . 1 1 A 38 38 GLU HA H 38 5.360 5.308 0.052 2 1 473 . 1 1 A 38 38 GLU C C 38 175.300 175.209 0.091 2 1 474 . 1 1 A 38 38 GLU CA C 38 55.400 54.918 0.482 2 1 475 . 1 1 A 38 38 GLU CB C 38 32.500 32.553 -0.053 2 1 477 . 1 1 A 38 38 GLU N N 38 122.000 122.526 -0.526 2 1 478 . 1 1 A 39 39 VAL H H 39 9.550 9.055 0.495 2 1 479 . 1 1 A 39 39 VAL HA H 39 4.360 4.545 -0.185 2 1 487 . 1 1 A 39 39 VAL C C 39 174.500 175.808 -1.308 2 1 488 . 1 1 A 39 39 VAL CA C 39 61.600 61.139 0.461 2 1 489 . 1 1 A 39 39 VAL CB C 39 34.400 34.426 -0.026 2 1 492 . 1 1 A 39 39 VAL N N 39 126.000 125.998 0.002 2 1 493 . 1 1 A 40 40 ASP H H 40 8.960 9.498 -0.538 2 1 494 . 1 1 A 40 40 ASP HA H 40 4.340 4.354 -0.015 2 1 497 . 1 1 A 40 40 ASP C C 40 175.800 175.931 -0.131 2 1 498 . 1 1 A 40 40 ASP CA C 40 55.900 55.486 0.414 2 1 499 . 1 1 A 40 40 ASP CB C 40 40.700 39.663 1.037 2 1 500 . 1 1 A 40 40 ASP N N 40 125.700 128.415 -2.715 2 1 501 . 1 1 A 41 41 GLY H H 41 8.870 8.396 0.474 2 1 502 . 1 1 A 41 41 GLY HA2 H 41 3.510 3.713 -0.203 2 1 503 . 1 1 A 41 41 GLY HA3 H 41 4.190 3.778 0.412 2 1 504 . 1 1 A 41 41 GLY C C 41 173.900 174.090 -0.190 2 1 505 . 1 1 A 41 41 GLY CA C 41 45.700 45.333 0.367 2 1 506 . 1 1 A 41 41 GLY N N 41 105.500 104.294 1.206 2 1 507 . 1 1 A 42 42 TRP H H 42 8.580 8.254 0.326 2 1 508 . 1 1 A 42 42 TRP HA H 42 4.700 4.650 0.050 2 1 517 . 1 1 A 42 42 TRP C C 42 175.300 175.759 -0.459 2 1 518 . 1 1 A 42 42 TRP CA C 42 56.300 57.463 -1.163 2 1 519 . 1 1 A 42 42 TRP CB C 42 31.300 30.549 0.751 2 1 525 . 1 1 A 42 42 TRP N N 42 122.900 120.876 2.024 2 1 527 . 1 1 A 43 43 TYR H H 43 9.400 8.794 0.606 2 1 528 . 1 1 A 43 43 TYR HA H 43 5.630 5.177 0.453 2 1 535 . 1 1 A 43 43 TYR C C 43 175.800 175.369 0.431 2 1 536 . 1 1 A 43 43 TYR CA C 43 55.900 57.211 -1.311 2 1 537 . 1 1 A 43 43 TYR CB C 43 40.200 40.298 -0.098 2 1 542 . 1 1 A 43 43 TYR N N 43 119.000 122.242 -3.242 2 1 543 . 1 1 A 44 44 GLU H H 44 9.110 9.200 -0.090 2 1 544 . 1 1 A 44 44 GLU HA H 44 4.040 4.402 -0.362 2 1 549 . 1 1 A 44 44 GLU C C 44 175.500 176.308 -0.808 2 1 550 . 1 1 A 44 44 GLU CA C 44 55.500 56.021 -0.521 2 1 551 . 1 1 A 44 44 GLU CB C 44 31.200 30.790 0.410 2 1 553 . 1 1 A 44 44 GLU N N 44 125.600 124.414 1.186 2 1 554 . 1 1 A 45 45 ILE H H 45 9.300 8.686 0.614 2 1 555 . 1 1 A 45 45 ILE HA H 45 5.550 5.347 0.203 2 1 565 . 1 1 A 45 45 ILE C C 45 173.700 173.523 0.177 2 1 566 . 1 1 A 45 45 ILE CA C 45 58.300 58.624 -0.324 2 1 567 . 1 1 A 45 45 ILE CB C 45 43.200 42.175 1.025 2 1 571 . 1 1 A 45 45 ILE N N 45 122.700 120.702 1.998 2 1 572 . 1 1 A 46 46 ARG H H 46 8.730 8.430 0.300 2 1 573 . 1 1 A 46 46 ARG HA H 46 5.310 5.459 -0.149 2 1 580 . 1 1 A 46 46 ARG C C 46 176.400 174.734 1.666 2 1 581 . 1 1 A 46 46 ARG CA C 46 54.400 54.386 0.014 2 1 582 . 1 1 A 46 46 ARG CB C 46 33.600 33.308 0.292 2 1 585 . 1 1 A 46 46 ARG N N 46 118.900 122.772 -3.872 2 1 586 . 1 1 A 47 47 PHE H H 47 9.080 9.501 -0.421 2 1 587 . 1 1 A 47 47 PHE HA H 47 4.850 4.840 0.010 2 1 595 . 1 1 A 47 47 PHE C C 47 174.500 174.767 -0.267 2 1 596 . 1 1 A 47 47 PHE CA C 47 57.300 57.744 -0.444 2 1 597 . 1 1 A 47 47 PHE CB C 47 42.500 42.878 -0.378 2 1 603 . 1 1 A 47 47 PHE N N 47 126.500 127.125 -0.625 2 1 604 . 1 1 A 48 48 ASN H H 48 9.140 8.705 0.435 2 1 605 . 1 1 A 48 48 ASN HA H 48 4.080 4.130 -0.049 2 1 610 . 1 1 A 48 48 ASN C C 48 175.100 174.914 0.186 2 1 611 . 1 1 A 48 48 ASN CA C 48 53.500 53.824 -0.324 2 1 612 . 1 1 A 48 48 ASN CB C 48 37.100 37.117 -0.017 2 1 614 . 1 1 A 48 48 ASN N N 48 128.500 125.259 3.241 2 1 616 . 1 1 A 49 49 GLY H H 49 8.600 8.565 0.035 2 1 617 . 1 1 A 49 49 GLY HA2 H 49 3.510 3.824 -0.314 2 1 618 . 1 1 A 49 49 GLY HA3 H 49 4.110 3.827 0.283 2 1 619 . 1 1 A 49 49 GLY C C 49 173.600 173.699 -0.099 2 1 620 . 1 1 A 49 49 GLY CA C 49 45.600 45.536 0.064 2 1 621 . 1 1 A 49 49 GLY N N 49 103.100 104.143 -1.043 2 1 622 . 1 1 A 50 50 LYS H H 50 7.850 8.015 -0.165 2 1 623 . 1 1 A 50 50 LYS HA H 50 4.620 4.794 -0.174 2 1 632 . 1 1 A 50 50 LYS C C 50 174.600 175.194 -0.594 2 1 633 . 1 1 A 50 50 LYS CA C 50 54.900 54.453 0.447 2 1 634 . 1 1 A 50 50 LYS CB C 50 35.100 35.107 -0.007 2 1 638 . 1 1 A 50 50 LYS N N 50 121.700 120.327 1.373 2 1 639 . 1 1 A 51 51 VAL H H 51 8.120 8.664 -0.544 2 1 640 . 1 1 A 51 51 VAL HA H 51 5.100 4.981 0.119 2 1 648 . 1 1 A 51 51 VAL C C 51 176.100 175.672 0.428 2 1 649 . 1 1 A 51 51 VAL CA C 51 60.700 60.379 0.321 2 1 650 . 1 1 A 51 51 VAL CB C 51 33.400 33.867 -0.467 2 1 653 . 1 1 A 51 51 VAL N N 51 122.100 123.634 -1.534 2 1 654 . 1 1 A 52 52 GLY H H 52 8.430 8.289 0.141 2 1 655 . 1 1 A 52 52 GLY HA2 H 52 3.760 4.296 -0.536 2 1 656 . 1 1 A 52 52 GLY HA3 H 52 4.230 4.333 -0.103 2 1 657 . 1 1 A 52 52 GLY C C 52 170.300 171.604 -1.304 2 1 658 . 1 1 A 52 52 GLY CA C 52 45.600 45.634 -0.034 2 1 659 . 1 1 A 52 52 GLY N N 52 113.100 112.986 0.114 2 1 660 . 1 1 A 53 53 TYR H H 53 9.260 9.053 0.207 2 1 661 . 1 1 A 53 53 TYR HA H 53 5.990 5.770 0.220 2 1 668 . 1 1 A 53 53 TYR C C 53 175.700 175.119 0.581 2 1 669 . 1 1 A 53 53 TYR CA C 53 56.800 56.772 0.028 2 1 670 . 1 1 A 53 53 TYR CB C 53 42.800 43.378 -0.578 2 1 675 . 1 1 A 53 53 TYR N N 53 118.000 119.120 -1.120 2 1 676 . 1 1 A 54 54 ALA H H 54 9.210 8.543 0.667 2 1 677 . 1 1 A 54 54 ALA HA H 54 5.280 5.221 0.059 2 1 681 . 1 1 A 54 54 ALA C C 54 175.800 175.970 -0.170 2 1 682 . 1 1 A 54 54 ALA CA C 54 50.900 51.146 -0.246 2 1 683 . 1 1 A 54 54 ALA CB C 54 23.800 23.428 0.372 2 1 684 . 1 1 A 54 54 ALA N N 54 122.000 122.651 -0.651 2 1 685 . 1 1 A 55 55 SER H H 55 8.620 8.697 -0.077 2 1 686 . 1 1 A 55 55 SER HA H 55 3.270 3.769 -0.499 2 1 689 . 1 1 A 55 55 SER C C 55 175.400 175.746 -0.346 2 1 690 . 1 1 A 55 55 SER CA C 55 59.100 58.256 0.844 2 1 691 . 1 1 A 55 55 SER CB C 55 63.200 63.532 -0.332 2 1 692 . 1 1 A 55 55 SER N N 55 117.400 115.222 2.177 2 1 693 . 1 1 A 56 56 LYS H H 56 7.630 8.414 -0.784 2 1 694 . 1 1 A 56 56 LYS HA H 56 3.750 4.089 -0.339 2 1 703 . 1 1 A 56 56 LYS C C 56 177.100 178.367 -1.267 2 1 704 . 1 1 A 56 56 LYS CA C 56 58.600 58.858 -0.258 2 1 705 . 1 1 A 56 56 LYS CB C 56 32.300 32.010 0.290 2 1 709 . 1 1 A 56 56 LYS N N 56 124.500 123.842 0.658 2 1 710 . 1 1 A 57 57 SER H H 57 7.670 7.818 -0.148 2 1 711 . 1 1 A 57 57 SER HA H 57 3.930 4.061 -0.131 2 1 714 . 1 1 A 57 57 SER C C 57 174.100 175.141 -1.041 2 1 715 . 1 1 A 57 57 SER CA C 57 60.700 61.398 -0.698 2 1 716 . 1 1 A 57 57 SER CB C 57 62.800 62.811 -0.011 2 1 717 . 1 1 A 57 57 SER N N 57 112.000 116.091 -4.091 2 1 718 . 1 1 A 58 58 TYR H H 58 6.990 7.641 -0.651 2 1 719 . 1 1 A 58 58 TYR HA H 58 4.800 4.667 0.133 2 1 726 . 1 1 A 58 58 TYR C C 58 173.300 174.777 -1.477 2 1 727 . 1 1 A 58 58 TYR CA C 58 57.400 58.233 -0.833 2 1 728 . 1 1 A 58 58 TYR CB C 58 40.500 39.015 1.485 2 1 733 . 1 1 A 58 58 TYR N N 58 116.100 117.918 -1.818 2 1 734 . 1 1 A 59 59 ILE H H 59 7.300 7.470 -0.170 2 1 735 . 1 1 A 59 59 ILE HA H 59 4.790 4.747 0.043 2 1 745 . 1 1 A 59 59 ILE C C 59 174.500 174.494 0.006 2 1 746 . 1 1 A 59 59 ILE CA C 59 59.300 60.197 -0.897 2 1 747 . 1 1 A 59 59 ILE CB C 59 40.800 39.925 0.875 2 1 751 . 1 1 A 59 59 ILE N N 59 119.000 120.351 -1.351 2 1 752 . 1 1 A 60 60 THR H H 60 8.980 8.881 0.099 2 1 753 . 1 1 A 60 60 THR HA H 60 4.580 4.925 -0.345 2 1 758 . 1 1 A 60 60 THR C C 60 173.800 173.408 0.392 2 1 759 . 1 1 A 60 60 THR CA C 60 60.800 61.679 -0.879 2 1 760 . 1 1 A 60 60 THR CB C 60 71.100 70.721 0.379 2 1 762 . 1 1 A 60 60 THR N N 60 123.600 123.745 -0.145 2 1 763 . 1 1 A 61 61 ILE H H 61 8.680 8.681 -0.001 2 1 764 . 1 1 A 61 61 ILE HA H 61 4.180 4.223 -0.043 2 1 774 . 1 1 A 61 61 ILE C C 61 176.400 175.944 0.456 2 1 775 . 1 1 A 61 61 ILE CA C 61 61.800 60.832 0.968 2 1 776 . 1 1 A 61 61 ILE CB C 61 37.900 37.711 0.189 2 1 780 . 1 1 A 61 61 ILE N N 61 127.200 128.138 -0.938 2 1 781 . 1 1 A 62 62 VAL H H 62 8.370 8.553 -0.183 2 1 782 . 1 1 A 62 62 VAL HA H 62 4.140 4.146 -0.006 2 1 790 . 1 1 A 62 62 VAL C C 62 175.200 175.986 -0.786 2 1 791 . 1 1 A 62 62 VAL CA C 62 61.800 62.222 -0.422 2 1 792 . 1 1 A 62 62 VAL CB C 62 33.200 32.521 0.679 2 1 795 . 1 1 A 62 62 VAL N N 62 126.600 126.642 -0.042 2 1 796 . 1 1 A 63 63 ASN H H 63 8.590 8.943 -0.353 2 1 797 . 1 1 A 63 63 ASN HA H 63 4.730 4.506 0.224 2 1 802 . 1 1 A 63 63 ASN C C 63 175.200 175.137 0.063 2 1 803 . 1 1 A 63 63 ASN CA C 63 53.200 53.970 -0.770 2 1 804 . 1 1 A 63 63 ASN CB C 63 39.100 37.696 1.404 2 1 806 . 1 1 A 63 63 ASN N N 63 123.500 123.249 0.251 2 1 808 . 1 1 A 64 64 GLU H H 64 8.620 8.437 0.183 2 1 809 . 1 1 A 64 64 GLU HA H 64 4.250 4.221 0.029 2 1 814 . 1 1 A 64 64 GLU C C 64 177.000 176.974 0.026 2 1 815 . 1 1 A 64 64 GLU CA C 64 57.100 57.309 -0.209 2 1 816 . 1 1 A 64 64 GLU CB C 64 30.400 29.774 0.626 2 1 818 . 1 1 A 64 64 GLU N N 64 122.700 120.604 2.096 2 1 819 . 1 1 A 65 65 GLY H H 65 8.490 8.315 0.175 2 1 820 . 1 1 A 65 65 GLY HA2 H 65 3.980 3.991 -0.011 2 1 821 . 1 1 A 65 65 GLY HA3 H 65 3.980 4.009 -0.029 2 1 822 . 1 1 A 65 65 GLY C C 65 174.300 174.161 0.139 2 1 823 . 1 1 A 65 65 GLY CA C 65 45.500 45.608 -0.108 2 1 824 . 1 1 A 65 65 GLY N N 65 109.600 110.217 -0.617 2 1 825 . 1 1 A 66 66 SER H H 66 8.180 8.418 -0.238 2 1 826 . 1 1 A 66 66 SER HA H 66 4.450 4.428 0.022 2 1 829 . 1 1 A 66 66 SER C C 66 174.900 174.182 0.718 2 1 830 . 1 1 A 66 66 SER CA C 66 58.300 58.803 -0.503 2 1 831 . 1 1 A 66 66 SER CB C 66 63.700 63.318 0.382 2 1 832 . 1 1 A 66 66 SER N N 66 115.500 116.049 -0.549 2 1 833 . 1 1 A 67 67 LEU H H 67 8.300 8.332 -0.032 2 1 834 . 1 1 A 67 67 LEU HA H 67 4.300 4.365 -0.065 2 1 844 . 1 1 A 67 67 LEU C C 67 177.500 176.592 0.908 2 1 845 . 1 1 A 67 67 LEU CA C 67 55.400 55.183 0.217 2 1 846 . 1 1 A 67 67 LEU CB C 67 42.200 42.168 0.032 2 1 850 . 1 1 A 67 67 LEU N N 67 123.800 123.762 0.038 2 1 851 . 1 1 A 68 68 GLU H H 68 8.270 8.280 -0.010 2 1 852 . 1 1 A 68 68 GLU HA H 68 4.160 4.311 -0.150 2 1 857 . 1 1 A 68 68 GLU CA C 68 56.900 57.057 -0.157 2 1 858 . 1 1 A 68 68 GLU CB C 68 30.100 30.011 0.089 2 1 860 . 1 1 A 68 68 GLU N N 68 120.700 121.279 -0.579 2 1 861 . 1 1 A 69 69 HIS C C 69 173.900 174.960 -1.060 2 1 862 . 1 1 A 70 70 HIS H H 70 8.140 8.434 -0.294 2 1 863 . 1 1 A 70 70 HIS CA C 70 57.200 56.970 0.230 2 1 864 . 1 1 A 70 70 HIS CB C 70 30.200 29.931 0.269 2 stop_ save_