data_15880_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15880 _Entry.PDB_ID 2K6S _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 30 _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 6 . 1 1 1 A 3 3 LEU H H 2 8.530 8.624 -0.094 1 1 7 . 1 1 1 A 3 3 LEU HA H 2 4.700 4.509 0.191 1 1 17 . 1 1 1 A 3 3 LEU CA C 2 54.700 60.432 -5.732 1 1 18 . 1 1 1 A 3 3 LEU CB C 2 43.000 63.917 -20.917 1 1 19 . 1 1 1 A 3 3 LEU N N 2 123.300 121.999 1.301 1 1 20 . 1 1 1 A 4 4 THR H H 3 9.520 7.828 1.692 1 1 21 . 1 1 1 A 4 4 THR HA H 3 4.830 4.311 0.519 1 1 26 . 1 1 1 A 4 4 THR CA C 3 61.300 54.732 6.568 1 1 27 . 1 1 1 A 4 4 THR CB C 3 71.100 41.138 29.962 1 1 28 . 1 1 1 A 4 4 THR N N 3 116.200 116.477 -0.277 1 1 29 . 1 1 1 A 5 5 TYR H H 4 9.380 8.530 0.850 1 1 30 . 1 1 1 A 5 5 TYR HA H 4 4.120 4.645 -0.525 1 1 37 . 1 1 1 A 5 5 TYR CA C 4 62.300 60.920 1.380 1 1 38 . 1 1 1 A 5 5 TYR CB C 4 38.600 71.085 -32.485 1 1 39 . 1 1 1 A 5 5 TYR N N 4 121.600 110.887 10.713 1 1 40 . 1 1 1 A 6 6 GLU H H 5 9.000 9.088 -0.088 1 1 41 . 1 1 1 A 6 6 GLU HA H 5 3.900 4.135 -0.235 1 1 46 . 1 1 1 A 6 6 GLU CA C 5 60.500 62.259 -1.759 1 1 47 . 1 1 1 A 6 6 GLU CB C 5 28.700 38.944 -10.244 1 1 48 . 1 1 1 A 6 6 GLU N N 5 115.500 122.145 -6.645 1 1 49 . 1 1 1 A 7 7 GLU H H 6 7.920 8.439 -0.519 1 1 50 . 1 1 1 A 7 7 GLU HA H 6 4.060 3.748 0.312 1 1 55 . 1 1 1 A 7 7 GLU CA C 6 59.200 59.646 -0.446 1 1 56 . 1 1 1 A 7 7 GLU CB C 6 30.400 29.306 1.094 1 1 57 . 1 1 1 A 7 7 GLU N N 6 118.900 119.175 -0.275 1 1 58 . 1 1 1 A 8 8 VAL H H 7 8.590 8.296 0.294 1 1 59 . 1 1 1 A 8 8 VAL HA H 7 3.640 4.116 -0.476 1 1 67 . 1 1 1 A 8 8 VAL CA C 7 66.400 58.826 7.574 1 1 68 . 1 1 1 A 8 8 VAL CB C 7 30.800 29.553 1.247 1 1 69 . 1 1 1 A 8 8 VAL N N 7 119.300 119.335 -0.035 1 1 70 . 1 1 1 A 9 9 LEU H H 8 8.230 8.123 0.107 1 1 71 . 1 1 1 A 9 9 LEU HA H 8 3.870 4.122 -0.252 1 1 81 . 1 1 1 A 9 9 LEU CA C 8 58.500 65.333 -6.833 1 1 82 . 1 1 1 A 9 9 LEU CB C 8 41.100 31.194 9.906 1 1 83 . 1 1 1 A 9 9 LEU N N 8 120.600 119.205 1.395 1 1 84 . 1 1 1 A 10 10 GLN H H 9 7.910 7.771 0.139 1 1 85 . 1 1 1 A 10 10 GLN HA H 9 4.090 3.825 0.265 1 1 92 . 1 1 1 A 10 10 GLN CA C 9 58.500 58.301 0.199 1 1 93 . 1 1 1 A 10 10 GLN CB C 9 27.900 41.624 -13.724 1 1 94 . 1 1 1 A 10 10 GLN N N 9 117.200 121.568 -4.368 1 1 96 . 1 1 1 A 11 11 GLU H H 10 8.200 7.834 0.366 1 1 97 . 1 1 1 A 11 11 GLU HA H 10 4.210 3.936 0.274 1 1 102 . 1 1 1 A 11 11 GLU CA C 10 58.700 59.393 -0.693 1 1 103 . 1 1 1 A 11 11 GLU CB C 10 29.600 28.188 1.412 1 1 104 . 1 1 1 A 11 11 GLU N N 11 120.200 120.274 -0.074 1 1 105 . 1 1 1 A 12 12 LEU HA H 11 3.910 4.109 -0.199 1 1 115 . 1 1 1 A 12 12 LEU CA C 11 58.900 59.090 -0.190 1 1 116 . 1 1 1 A 12 12 LEU CB C 11 40.900 29.455 11.445 1 1 117 . 1 1 1 A 12 12 LEU N N 11 124.600 120.274 4.326 1 1 118 . 1 1 1 A 13 13 VAL H H 12 8.180 7.879 0.301 1 1 119 . 1 1 1 A 13 13 VAL HA H 12 3.500 4.057 -0.557 1 1 121 . 1 1 1 A 13 13 VAL CA C 12 67.300 58.153 9.147 1 1 122 . 1 1 1 A 13 13 VAL CB C 12 31.500 42.131 -10.631 1 1 123 . 1 1 1 A 13 13 VAL N N 12 120.300 122.471 -2.171 1 1 124 . 1 1 1 A 14 14 LYS H H 13 8.020 7.867 0.153 1 1 125 . 1 1 1 A 14 14 LYS HA H 13 4.080 3.866 0.214 1 1 132 . 1 1 1 A 14 14 LYS CA C 13 59.200 64.800 -5.600 1 1 133 . 1 1 1 A 14 14 LYS CB C 13 31.500 31.432 0.068 1 1 134 . 1 1 1 A 14 14 LYS N N 13 118.700 118.695 0.005 1 1 135 . 1 1 1 A 15 15 HIS H H 14 8.580 8.070 0.510 1 1 136 . 1 1 1 A 15 15 HIS HA H 14 4.120 4.071 0.049 1 1 141 . 1 1 1 A 15 15 HIS CA C 14 61.900 59.369 2.531 1 1 142 . 1 1 1 A 15 15 HIS CB C 14 32.000 32.688 -0.688 1 1 143 . 1 1 1 A 15 15 HIS N N 14 117.800 122.402 -4.602 1 1 144 . 1 1 1 A 16 16 LYS H H 15 8.670 8.334 0.336 1 1 145 . 1 1 1 A 16 16 LYS HA H 15 4.220 4.242 -0.022 1 1 154 . 1 1 1 A 16 16 LYS N N 15 120.300 117.606 2.694 1 1 155 . 1 1 1 A 17 17 GLU H H 16 7.910 8.277 -0.367 1 1 156 . 1 1 1 A 17 17 GLU HA H 16 4.160 3.856 0.304 1 1 159 . 1 1 1 A 17 17 GLU N N 16 120.000 119.565 0.435 1 1 160 . 1 1 1 A 18 18 LEU H H 17 8.370 8.284 0.086 1 1 161 . 1 1 1 A 18 18 LEU HA H 17 4.670 4.074 0.596 1 1 171 . 1 1 1 A 18 18 LEU CB C 17 37.300 29.110 8.190 1 1 172 . 1 1 1 A 18 18 LEU N N 17 121.200 118.602 2.598 1 1 173 . 1 1 1 A 19 19 LEU H H 18 8.450 8.340 0.110 1 1 174 . 1 1 1 A 19 19 LEU HA H 18 3.880 4.071 -0.191 1 1 184 . 1 1 1 A 19 19 LEU N N 18 119.300 120.975 -1.675 1 1 185 . 1 1 1 A 20 20 ARG H H 19 7.620 8.141 -0.521 1 1 186 . 1 1 1 A 20 20 ARG HA H 19 4.240 4.098 0.142 1 1 193 . 1 1 1 A 20 20 ARG CA C 19 59.300 56.712 2.588 1 1 194 . 1 1 1 A 20 20 ARG CB C 19 29.800 41.780 -11.980 1 1 195 . 1 1 1 A 20 20 ARG N N 19 117.900 119.782 -1.882 1 1 196 . 1 1 1 A 21 21 ARG H H 20 8.000 7.949 0.051 1 1 197 . 1 1 1 A 21 21 ARG HA H 20 4.120 4.060 0.060 1 1 204 . 1 1 1 A 21 21 ARG CA C 20 59.200 59.489 -0.289 1 1 205 . 1 1 1 A 21 21 ARG CB C 20 29.400 30.240 -0.840 1 1 206 . 1 1 1 A 21 21 ARG N N 20 118.300 120.212 -1.912 1 1 207 . 1 1 1 A 22 22 LYS H H 21 8.600 8.038 0.562 1 1 208 . 1 1 1 A 22 22 LYS HA H 21 4.210 4.012 0.198 1 1 217 . 1 1 1 A 22 22 LYS CA C 21 59.000 59.245 -0.245 1 1 218 . 1 1 1 A 22 22 LYS CB C 21 29.400 30.004 -0.604 1 1 219 . 1 1 1 A 22 22 LYS N N 21 120.900 119.380 1.520 1 1 220 . 1 1 1 A 23 23 ASP H H 22 8.560 7.608 0.952 1 1 221 . 1 1 1 A 23 23 ASP HA H 22 4.650 4.042 0.608 1 1 224 . 1 1 1 A 23 23 ASP CA C 22 57.300 59.644 -2.344 1 1 225 . 1 1 1 A 23 23 ASP CB C 22 40.200 32.064 8.136 1 1 226 . 1 1 1 A 23 23 ASP N N 22 119.500 118.843 0.657 1 1 227 . 1 1 1 A 24 24 THR H H 23 8.240 7.623 0.617 1 1 228 . 1 1 1 A 24 24 THR HA H 23 4.380 4.414 -0.034 1 1 233 . 1 1 1 A 24 24 THR CA C 23 66.600 57.111 9.489 1 1 234 . 1 1 1 A 24 24 THR CB C 23 68.400 40.633 27.767 1 1 235 . 1 1 1 A 24 24 THR N N 23 117.800 119.516 -1.716 1 1 236 . 1 1 1 A 25 25 HIS H H 24 7.970 8.003 -0.033 1 1 237 . 1 1 1 A 25 25 HIS HA H 24 4.600 4.004 0.596 1 1 241 . 1 1 1 A 25 25 HIS CA C 24 57.000 66.318 -9.318 1 1 242 . 1 1 1 A 25 25 HIS CB C 24 32.000 68.108 -36.108 1 1 243 . 1 1 1 A 25 25 HIS N N 24 122.100 116.176 5.924 1 1 244 . 1 1 1 A 26 26 ILE H H 25 8.760 7.880 0.880 1 1 245 . 1 1 1 A 26 26 ILE HA H 25 4.020 4.365 -0.345 1 1 252 . 1 1 1 A 26 26 ILE CA C 25 61.300 60.102 1.198 1 1 253 . 1 1 1 A 26 26 ILE CB C 25 37.900 30.340 7.560 1 1 254 . 1 1 1 A 26 26 ILE N N 25 119.100 121.058 -1.958 1 1 255 . 1 1 1 A 27 27 ARG H H 26 7.820 7.615 0.205 1 1 256 . 1 1 1 A 27 27 ARG HA H 26 4.210 3.766 0.444 1 1 263 . 1 1 1 A 27 27 ARG CA C 26 58.700 64.507 -5.807 1 1 264 . 1 1 1 A 27 27 ARG CB C 26 29.400 37.427 -8.027 1 1 265 . 1 1 1 A 27 27 ARG N N 26 118.300 117.251 1.049 1 1 266 . 1 1 1 A 28 28 GLU H H 27 8.020 7.913 0.107 1 1 267 . 1 1 1 A 28 28 GLU HA H 27 4.140 3.951 0.189 1 1 272 . 1 1 1 A 28 28 GLU CA C 27 60.500 59.366 1.134 1 1 273 . 1 1 1 A 28 28 GLU N N 27 118.600 121.440 -2.840 1 1 274 . 1 1 1 A 29 29 LEU H H 28 8.370 8.485 -0.115 1 1 275 . 1 1 1 A 29 29 LEU HA H 28 4.250 4.015 0.235 1 1 285 . 1 1 1 A 29 29 LEU N N 28 121.200 117.761 3.439 1 1 286 . 1 1 1 A 30 30 GLU H H 29 8.910 8.562 0.348 1 1 287 . 1 1 1 A 30 30 GLU HA H 29 4.180 4.429 -0.249 1 1 290 . 1 1 1 A 30 30 GLU CA C 29 60.100 57.778 2.322 1 1 291 . 1 1 1 A 30 30 GLU CB C 29 29.200 41.226 -12.026 1 1 292 . 1 1 1 A 30 30 GLU N N 29 119.000 122.416 -3.416 1 1 293 . 1 1 1 A 31 31 ASP H H 30 8.580 8.394 0.186 1 1 294 . 1 1 1 A 31 31 ASP HA H 30 4.420 4.141 0.279 1 1 297 . 1 1 1 A 31 31 ASP CA C 30 57.000 59.589 -2.589 1 1 298 . 1 1 1 A 31 31 ASP N N 30 119.400 120.003 -0.603 1 1 299 . 1 1 1 A 32 32 TYR H H 31 8.100 7.798 0.302 1 1 300 . 1 1 1 A 32 32 TYR HA H 31 4.520 4.304 0.216 1 1 307 . 1 1 1 A 32 32 TYR CA C 31 58.200 57.136 1.064 1 1 308 . 1 1 1 A 32 32 TYR N N 31 122.100 119.269 2.831 1 1 309 . 1 1 1 A 33 33 ILE HA H 32 4.070 4.355 -0.285 1 1 316 . 1 1 1 A 33 33 ILE CA C 32 58.200 61.183 -2.983 1 1 317 . 1 1 1 A 34 34 ASP H H 33 8.130 7.894 0.236 1 1 318 . 1 1 1 A 34 34 ASP HA H 33 4.380 3.717 0.663 1 1 321 . 1 1 1 A 34 34 ASP CA C 33 57.300 64.362 -7.062 1 1 322 . 1 1 1 A 34 34 ASP CB C 33 40.600 36.509 4.091 1 1 323 . 1 1 1 A 34 34 ASP N N 33 118.100 120.486 -2.386 1 1 324 . 1 1 1 A 35 35 ASN H H 34 7.790 8.078 -0.288 1 1 325 . 1 1 1 A 35 35 ASN HA H 34 4.520 4.388 0.132 1 1 330 . 1 1 1 A 35 35 ASN CA C 34 55.300 57.504 -2.204 1 1 331 . 1 1 1 A 35 35 ASN CB C 34 39.800 40.375 -0.575 1 1 332 . 1 1 1 A 35 35 ASN N N 34 115.600 121.716 -6.116 1 1 333 . 1 1 1 A 36 36 LEU HA H 35 3.750 4.387 -0.637 1 1 343 . 1 1 1 A 36 36 LEU CA C 35 56.300 56.757 -0.457 1 1 344 . 1 1 1 A 37 37 LEU HA H 36 4.280 4.009 0.271 1 1 354 . 1 1 1 A 37 37 LEU CA C 36 55.800 57.909 -2.109 1 1 355 . 1 1 1 A 37 37 LEU CB C 36 42.300 41.568 0.732 1 1 356 . 1 1 1 A 38 38 VAL H H 37 7.500 7.559 -0.059 1 1 357 . 1 1 1 A 38 38 VAL HA H 37 4.070 4.525 -0.455 1 1 365 . 1 1 1 A 38 38 VAL CA C 37 62.800 53.849 8.951 1 1 366 . 1 1 1 A 38 38 VAL CB C 37 33.600 41.624 -8.024 1 1 367 . 1 1 1 A 38 38 VAL N N 37 115.900 112.335 3.565 1 1 368 . 1 1 1 A 39 39 ARG H H 38 7.920 7.836 0.084 1 1 369 . 1 1 1 A 39 39 ARG HA H 38 4.360 4.352 0.008 1 1 376 . 1 1 1 A 39 39 ARG CA C 38 60.500 60.464 0.036 1 1 377 . 1 1 1 A 39 39 ARG N N 38 121.300 119.038 2.262 1 1 378 . 1 1 1 A 40 40 VAL H H 39 8.000 8.358 -0.358 1 1 379 . 1 1 1 A 40 40 VAL HA H 39 4.180 4.263 -0.083 1 1 387 . 1 1 1 A 40 40 VAL CA C 39 62.600 57.314 5.286 1 1 388 . 1 1 1 A 40 40 VAL CB C 39 32.600 30.918 1.682 1 1 389 . 1 1 1 A 40 40 VAL N N 39 119.000 126.491 -7.491 1 1 390 . 1 1 1 A 41 41 MET H H 40 7.990 8.781 -0.791 1 1 391 . 1 1 1 A 41 41 MET HA H 40 4.550 4.977 -0.427 1 1 399 . 1 1 1 A 41 41 MET CA C 40 56.900 59.942 -3.042 1 1 400 . 1 1 1 A 41 41 MET CB C 40 33.700 34.148 -0.448 1 1 6 . 2 1 1 A 3 3 LEU H H 2 8.530 8.608 -0.078 1 1 7 . 2 1 1 A 3 3 LEU HA H 2 4.700 4.465 0.235 1 1 17 . 2 1 1 A 3 3 LEU CA C 2 54.700 61.069 -6.369 1 1 18 . 2 1 1 A 3 3 LEU CB C 2 43.000 63.776 -20.776 1 1 19 . 2 1 1 A 3 3 LEU N N 2 123.300 122.036 1.264 1 1 20 . 2 1 1 A 4 4 THR H H 3 9.520 7.768 1.752 1 1 21 . 2 1 1 A 4 4 THR HA H 3 4.830 4.295 0.535 1 1 26 . 2 1 1 A 4 4 THR CA C 3 61.300 54.717 6.583 1 1 27 . 2 1 1 A 4 4 THR CB C 3 71.100 41.033 30.067 1 1 28 . 2 1 1 A 4 4 THR N N 3 116.200 116.722 -0.522 1 1 29 . 2 1 1 A 5 5 TYR H H 4 9.380 8.552 0.828 1 1 30 . 2 1 1 A 5 5 TYR HA H 4 4.120 4.626 -0.506 1 1 37 . 2 1 1 A 5 5 TYR CA C 4 62.300 60.919 1.381 1 1 38 . 2 1 1 A 5 5 TYR CB C 4 38.600 71.150 -32.550 1 1 39 . 2 1 1 A 5 5 TYR N N 4 121.600 111.305 10.295 1 1 40 . 2 1 1 A 6 6 GLU H H 5 9.000 9.077 -0.077 1 1 41 . 2 1 1 A 6 6 GLU HA H 5 3.900 4.130 -0.230 1 1 46 . 2 1 1 A 6 6 GLU CA C 5 60.500 62.428 -1.928 1 1 47 . 2 1 1 A 6 6 GLU CB C 5 28.700 38.966 -10.266 1 1 48 . 2 1 1 A 6 6 GLU N N 5 115.500 122.138 -6.638 1 1 49 . 2 1 1 A 7 7 GLU H H 6 7.920 8.457 -0.537 1 1 50 . 2 1 1 A 7 7 GLU HA H 6 4.060 3.736 0.324 1 1 55 . 2 1 1 A 7 7 GLU CA C 6 59.200 59.591 -0.391 1 1 56 . 2 1 1 A 7 7 GLU CB C 6 30.400 29.289 1.111 1 1 57 . 2 1 1 A 7 7 GLU N N 6 118.900 119.279 -0.379 1 1 58 . 2 1 1 A 8 8 VAL H H 7 8.590 8.155 0.435 1 1 59 . 2 1 1 A 8 8 VAL HA H 7 3.640 4.076 -0.436 1 1 67 . 2 1 1 A 8 8 VAL CA C 7 66.400 58.823 7.577 1 1 68 . 2 1 1 A 8 8 VAL CB C 7 30.800 29.513 1.287 1 1 69 . 2 1 1 A 8 8 VAL N N 7 119.300 119.500 -0.200 1 1 70 . 2 1 1 A 9 9 LEU H H 8 8.230 8.047 0.183 1 1 71 . 2 1 1 A 9 9 LEU HA H 8 3.870 3.852 0.018 1 1 81 . 2 1 1 A 9 9 LEU CA C 8 58.500 65.388 -6.888 1 1 82 . 2 1 1 A 9 9 LEU CB C 8 41.100 31.127 9.973 1 1 83 . 2 1 1 A 9 9 LEU N N 8 120.600 119.139 1.461 1 1 84 . 2 1 1 A 10 10 GLN H H 9 7.910 7.937 -0.027 1 1 85 . 2 1 1 A 10 10 GLN HA H 9 4.090 3.759 0.331 1 1 92 . 2 1 1 A 10 10 GLN CA C 9 58.500 58.224 0.276 1 1 93 . 2 1 1 A 10 10 GLN CB C 9 27.900 41.472 -13.572 1 1 94 . 2 1 1 A 10 10 GLN N N 9 117.200 121.317 -4.117 1 1 96 . 2 1 1 A 11 11 GLU H H 10 8.200 7.874 0.326 1 1 97 . 2 1 1 A 11 11 GLU HA H 10 4.210 3.917 0.293 1 1 102 . 2 1 1 A 11 11 GLU CA C 10 58.700 59.319 -0.619 1 1 103 . 2 1 1 A 11 11 GLU CB C 10 29.600 28.178 1.422 1 1 104 . 2 1 1 A 11 11 GLU N N 11 120.200 119.649 0.551 1 1 105 . 2 1 1 A 12 12 LEU HA H 11 3.910 4.010 -0.100 1 1 115 . 2 1 1 A 12 12 LEU CA C 11 58.900 58.857 0.043 1 1 116 . 2 1 1 A 12 12 LEU CB C 11 40.900 29.563 11.337 1 1 117 . 2 1 1 A 12 12 LEU N N 11 124.600 119.649 4.951 1 1 118 . 2 1 1 A 13 13 VAL H H 12 8.180 8.074 0.106 1 1 119 . 2 1 1 A 13 13 VAL HA H 12 3.500 4.263 -0.763 1 1 121 . 2 1 1 A 13 13 VAL CA C 12 67.300 57.927 9.373 1 1 122 . 2 1 1 A 13 13 VAL CB C 12 31.500 41.911 -10.411 1 1 123 . 2 1 1 A 13 13 VAL N N 12 120.300 121.481 -1.181 1 1 124 . 2 1 1 A 14 14 LYS H H 13 8.020 7.584 0.436 1 1 125 . 2 1 1 A 14 14 LYS HA H 13 4.080 3.912 0.168 1 1 132 . 2 1 1 A 14 14 LYS CA C 13 59.200 64.386 -5.186 1 1 133 . 2 1 1 A 14 14 LYS CB C 13 31.500 31.604 -0.104 1 1 134 . 2 1 1 A 14 14 LYS N N 13 118.700 118.375 0.325 1 1 135 . 2 1 1 A 15 15 HIS H H 14 8.580 7.817 0.763 1 1 136 . 2 1 1 A 15 15 HIS HA H 14 4.120 4.204 -0.084 1 1 141 . 2 1 1 A 15 15 HIS CA C 14 61.900 58.449 3.451 1 1 142 . 2 1 1 A 15 15 HIS CB C 14 32.000 32.791 -0.791 1 1 143 . 2 1 1 A 15 15 HIS N N 14 117.800 121.023 -3.223 1 1 144 . 2 1 1 A 16 16 LYS H H 15 8.670 7.809 0.861 1 1 145 . 2 1 1 A 16 16 LYS HA H 15 4.220 4.227 -0.007 1 1 154 . 2 1 1 A 16 16 LYS N N 15 120.300 118.036 2.264 1 1 155 . 2 1 1 A 17 17 GLU H H 16 7.910 7.747 0.163 1 1 156 . 2 1 1 A 17 17 GLU HA H 16 4.160 3.957 0.203 1 1 159 . 2 1 1 A 17 17 GLU N N 16 120.000 118.232 1.768 1 1 160 . 2 1 1 A 18 18 LEU H H 17 8.370 7.998 0.372 1 1 161 . 2 1 1 A 18 18 LEU HA H 17 4.670 4.091 0.579 1 1 171 . 2 1 1 A 18 18 LEU CB C 17 37.300 29.373 7.927 1 1 172 . 2 1 1 A 18 18 LEU N N 17 121.200 120.547 0.653 1 1 173 . 2 1 1 A 19 19 LEU H H 18 8.450 8.169 0.281 1 1 174 . 2 1 1 A 19 19 LEU HA H 18 3.880 4.122 -0.242 1 1 184 . 2 1 1 A 19 19 LEU N N 18 119.300 120.074 -0.774 1 1 185 . 2 1 1 A 20 20 ARG H H 19 7.620 7.825 -0.205 1 1 186 . 2 1 1 A 20 20 ARG HA H 19 4.240 4.133 0.107 1 1 193 . 2 1 1 A 20 20 ARG CA C 19 59.300 56.963 2.337 1 1 194 . 2 1 1 A 20 20 ARG CB C 19 29.800 41.637 -11.837 1 1 195 . 2 1 1 A 20 20 ARG N N 19 117.900 120.353 -2.453 1 1 196 . 2 1 1 A 21 21 ARG H H 20 8.000 8.683 -0.683 1 1 197 . 2 1 1 A 21 21 ARG HA H 20 4.120 4.019 0.101 1 1 204 . 2 1 1 A 21 21 ARG CA C 20 59.200 59.754 -0.554 1 1 205 . 2 1 1 A 21 21 ARG CB C 20 29.400 29.896 -0.496 1 1 206 . 2 1 1 A 21 21 ARG N N 20 118.300 119.899 -1.599 1 1 207 . 2 1 1 A 22 22 LYS H H 21 8.600 7.759 0.841 1 1 208 . 2 1 1 A 22 22 LYS HA H 21 4.210 4.019 0.191 1 1 217 . 2 1 1 A 22 22 LYS CA C 21 59.000 59.131 -0.131 1 1 218 . 2 1 1 A 22 22 LYS CB C 21 29.400 29.854 -0.454 1 1 219 . 2 1 1 A 22 22 LYS N N 21 120.900 119.291 1.609 1 1 220 . 2 1 1 A 23 23 ASP H H 22 8.560 7.509 1.051 1 1 221 . 2 1 1 A 23 23 ASP HA H 22 4.650 4.066 0.584 1 1 224 . 2 1 1 A 23 23 ASP CA C 22 57.300 59.505 -2.205 1 1 225 . 2 1 1 A 23 23 ASP CB C 22 40.200 32.210 7.990 1 1 226 . 2 1 1 A 23 23 ASP N N 22 119.500 119.281 0.219 1 1 227 . 2 1 1 A 24 24 THR H H 23 8.240 7.819 0.421 1 1 228 . 2 1 1 A 24 24 THR HA H 23 4.380 4.448 -0.068 1 1 233 . 2 1 1 A 24 24 THR CA C 23 66.600 57.066 9.534 1 1 234 . 2 1 1 A 24 24 THR CB C 23 68.400 40.470 27.930 1 1 235 . 2 1 1 A 24 24 THR N N 23 117.800 119.147 -1.347 1 1 236 . 2 1 1 A 25 25 HIS H H 24 7.970 8.004 -0.034 1 1 237 . 2 1 1 A 25 25 HIS HA H 24 4.600 4.025 0.575 1 1 241 . 2 1 1 A 25 25 HIS CA C 24 57.000 66.376 -9.376 1 1 242 . 2 1 1 A 25 25 HIS CB C 24 32.000 68.200 -36.200 1 1 243 . 2 1 1 A 25 25 HIS N N 24 122.100 117.299 4.801 1 1 244 . 2 1 1 A 26 26 ILE H H 25 8.760 7.981 0.779 1 1 245 . 2 1 1 A 26 26 ILE HA H 25 4.020 4.382 -0.362 1 1 252 . 2 1 1 A 26 26 ILE CA C 25 61.300 60.055 1.245 1 1 253 . 2 1 1 A 26 26 ILE CB C 25 37.900 30.239 7.661 1 1 254 . 2 1 1 A 26 26 ILE N N 25 119.100 121.158 -2.058 1 1 255 . 2 1 1 A 27 27 ARG H H 26 7.820 7.653 0.167 1 1 256 . 2 1 1 A 27 27 ARG HA H 26 4.210 3.760 0.450 1 1 263 . 2 1 1 A 27 27 ARG CA C 26 58.700 64.488 -5.788 1 1 264 . 2 1 1 A 27 27 ARG CB C 26 29.400 37.312 -7.912 1 1 265 . 2 1 1 A 27 27 ARG N N 26 118.300 116.897 1.403 1 1 266 . 2 1 1 A 28 28 GLU H H 27 8.020 7.984 0.036 1 1 267 . 2 1 1 A 28 28 GLU HA H 27 4.140 3.956 0.184 1 1 272 . 2 1 1 A 28 28 GLU CA C 27 60.500 59.368 1.132 1 1 273 . 2 1 1 A 28 28 GLU N N 27 118.600 121.470 -2.870 1 1 274 . 2 1 1 A 29 29 LEU H H 28 8.370 8.487 -0.117 1 1 275 . 2 1 1 A 29 29 LEU HA H 28 4.250 4.136 0.114 1 1 285 . 2 1 1 A 29 29 LEU N N 28 121.200 117.871 3.329 1 1 286 . 2 1 1 A 30 30 GLU H H 29 8.910 8.536 0.374 1 1 287 . 2 1 1 A 30 30 GLU HA H 29 4.180 4.388 -0.208 1 1 290 . 2 1 1 A 30 30 GLU CA C 29 60.100 57.720 2.380 1 1 291 . 2 1 1 A 30 30 GLU CB C 29 29.200 41.002 -11.802 1 1 292 . 2 1 1 A 30 30 GLU N N 29 119.000 122.501 -3.501 1 1 293 . 2 1 1 A 31 31 ASP H H 30 8.580 8.432 0.148 1 1 294 . 2 1 1 A 31 31 ASP HA H 30 4.420 4.092 0.328 1 1 297 . 2 1 1 A 31 31 ASP CA C 30 57.000 59.684 -2.684 1 1 298 . 2 1 1 A 31 31 ASP N N 30 119.400 120.024 -0.624 1 1 299 . 2 1 1 A 32 32 TYR H H 31 8.100 7.944 0.156 1 1 300 . 2 1 1 A 32 32 TYR HA H 31 4.520 4.322 0.198 1 1 307 . 2 1 1 A 32 32 TYR CA C 31 58.200 57.218 0.982 1 1 308 . 2 1 1 A 32 32 TYR N N 31 122.100 120.112 1.988 1 1 309 . 2 1 1 A 33 33 ILE HA H 32 4.070 4.315 -0.245 1 1 316 . 2 1 1 A 33 33 ILE CA C 32 58.200 61.130 -2.930 1 1 317 . 2 1 1 A 34 34 ASP H H 33 8.130 8.088 0.042 1 1 318 . 2 1 1 A 34 34 ASP HA H 33 4.380 3.715 0.665 1 1 321 . 2 1 1 A 34 34 ASP CA C 33 57.300 64.294 -6.994 1 1 322 . 2 1 1 A 34 34 ASP CB C 33 40.600 36.512 4.088 1 1 323 . 2 1 1 A 34 34 ASP N N 33 118.100 120.517 -2.417 1 1 324 . 2 1 1 A 35 35 ASN H H 34 7.790 8.007 -0.217 1 1 325 . 2 1 1 A 35 35 ASN HA H 34 4.520 4.402 0.118 1 1 330 . 2 1 1 A 35 35 ASN CA C 34 55.300 57.590 -2.290 1 1 331 . 2 1 1 A 35 35 ASN CB C 34 39.800 40.497 -0.697 1 1 332 . 2 1 1 A 35 35 ASN N N 34 115.600 121.915 -6.315 1 1 333 . 2 1 1 A 36 36 LEU HA H 35 3.750 4.377 -0.627 1 1 343 . 2 1 1 A 36 36 LEU CA C 35 56.300 56.803 -0.503 1 1 344 . 2 1 1 A 37 37 LEU HA H 36 4.280 4.031 0.249 1 1 354 . 2 1 1 A 37 37 LEU CA C 36 55.800 57.910 -2.110 1 1 355 . 2 1 1 A 37 37 LEU CB C 36 42.300 41.441 0.859 1 1 356 . 2 1 1 A 38 38 VAL H H 37 7.500 7.608 -0.108 1 1 357 . 2 1 1 A 38 38 VAL HA H 37 4.070 4.526 -0.456 1 1 365 . 2 1 1 A 38 38 VAL CA C 37 62.800 53.878 8.922 1 1 366 . 2 1 1 A 38 38 VAL CB C 37 33.600 41.572 -7.972 1 1 367 . 2 1 1 A 38 38 VAL N N 37 115.900 112.336 3.564 1 1 368 . 2 1 1 A 39 39 ARG H H 38 7.920 7.859 0.061 1 1 369 . 2 1 1 A 39 39 ARG HA H 38 4.360 4.412 -0.052 1 1 376 . 2 1 1 A 39 39 ARG CA C 38 60.500 60.361 0.139 1 1 377 . 2 1 1 A 39 39 ARG N N 38 121.300 119.015 2.285 1 1 378 . 2 1 1 A 40 40 VAL H H 39 8.000 8.375 -0.375 1 1 379 . 2 1 1 A 40 40 VAL HA H 39 4.180 4.287 -0.107 1 1 387 . 2 1 1 A 40 40 VAL CA C 39 62.600 56.960 5.640 1 1 388 . 2 1 1 A 40 40 VAL CB C 39 32.600 30.713 1.887 1 1 389 . 2 1 1 A 40 40 VAL N N 39 119.000 127.457 -8.457 1 1 390 . 2 1 1 A 41 41 MET H H 40 7.990 8.605 -0.615 1 1 391 . 2 1 1 A 41 41 MET HA H 40 4.550 4.796 -0.246 1 1 399 . 2 1 1 A 41 41 MET CA C 40 56.900 60.509 -3.609 1 1 400 . 2 1 1 A 41 41 MET CB C 40 33.700 33.413 0.287 1 1 6 . 3 1 1 A 3 3 LEU H H 2 8.530 8.554 -0.024 1 1 7 . 3 1 1 A 3 3 LEU HA H 2 4.700 4.600 0.100 1 1 17 . 3 1 1 A 3 3 LEU CA C 2 54.700 58.683 -3.983 1 1 18 . 3 1 1 A 3 3 LEU CB C 2 43.000 64.146 -21.146 1 1 19 . 3 1 1 A 3 3 LEU N N 2 123.300 121.959 1.341 1 1 20 . 3 1 1 A 4 4 THR H H 3 9.520 7.410 2.110 1 1 21 . 3 1 1 A 4 4 THR HA H 3 4.830 4.463 0.367 1 1 26 . 3 1 1 A 4 4 THR CA C 3 61.300 54.553 6.747 1 1 27 . 3 1 1 A 4 4 THR CB C 3 71.100 39.867 31.233 1 1 28 . 3 1 1 A 4 4 THR N N 3 116.200 120.912 -4.712 1 1 29 . 3 1 1 A 5 5 TYR H H 4 9.380 8.211 1.169 1 1 30 . 3 1 1 A 5 5 TYR HA H 4 4.120 4.590 -0.470 1 1 37 . 3 1 1 A 5 5 TYR CA C 4 62.300 60.891 1.409 1 1 38 . 3 1 1 A 5 5 TYR CB C 4 38.600 71.145 -32.545 1 1 39 . 3 1 1 A 5 5 TYR N N 4 121.600 112.390 9.210 1 1 40 . 3 1 1 A 6 6 GLU H H 5 9.000 9.056 -0.056 1 1 41 . 3 1 1 A 6 6 GLU HA H 5 3.900 4.169 -0.269 1 1 46 . 3 1 1 A 6 6 GLU CA C 5 60.500 62.218 -1.718 1 1 47 . 3 1 1 A 6 6 GLU CB C 5 28.700 39.031 -10.331 1 1 48 . 3 1 1 A 6 6 GLU N N 5 115.500 122.132 -6.632 1 1 49 . 3 1 1 A 7 7 GLU H H 6 7.920 8.382 -0.462 1 1 50 . 3 1 1 A 7 7 GLU HA H 6 4.060 4.042 0.018 1 1 55 . 3 1 1 A 7 7 GLU CA C 6 59.200 58.494 0.706 1 1 56 . 3 1 1 A 7 7 GLU CB C 6 30.400 29.215 1.185 1 1 57 . 3 1 1 A 7 7 GLU N N 6 118.900 119.197 -0.297 1 1 58 . 3 1 1 A 8 8 VAL H H 7 8.590 8.457 0.133 1 1 59 . 3 1 1 A 8 8 VAL HA H 7 3.640 4.118 -0.478 1 1 67 . 3 1 1 A 8 8 VAL CA C 7 66.400 58.717 7.683 1 1 68 . 3 1 1 A 8 8 VAL CB C 7 30.800 29.950 0.850 1 1 69 . 3 1 1 A 8 8 VAL N N 7 119.300 119.779 -0.479 1 1 70 . 3 1 1 A 9 9 LEU H H 8 8.230 7.498 0.732 1 1 71 . 3 1 1 A 9 9 LEU HA H 8 3.870 3.839 0.031 1 1 81 . 3 1 1 A 9 9 LEU CA C 8 58.500 64.933 -6.433 1 1 82 . 3 1 1 A 9 9 LEU CB C 8 41.100 31.434 9.666 1 1 83 . 3 1 1 A 9 9 LEU N N 8 120.600 119.330 1.270 1 1 84 . 3 1 1 A 10 10 GLN H H 9 7.910 7.721 0.189 1 1 85 . 3 1 1 A 10 10 GLN HA H 9 4.090 3.759 0.331 1 1 92 . 3 1 1 A 10 10 GLN CA C 9 58.500 58.078 0.422 1 1 93 . 3 1 1 A 10 10 GLN CB C 9 27.900 41.394 -13.494 1 1 94 . 3 1 1 A 10 10 GLN N N 9 117.200 121.178 -3.978 1 1 96 . 3 1 1 A 11 11 GLU H H 10 8.200 8.024 0.176 1 1 97 . 3 1 1 A 11 11 GLU HA H 10 4.210 4.149 0.061 1 1 102 . 3 1 1 A 11 11 GLU CA C 10 58.700 58.779 -0.079 1 1 103 . 3 1 1 A 11 11 GLU CB C 10 29.600 28.591 1.009 1 1 104 . 3 1 1 A 11 11 GLU N N 11 120.200 120.536 -0.336 1 1 105 . 3 1 1 A 12 12 LEU HA H 11 3.910 4.136 -0.226 1 1 115 . 3 1 1 A 12 12 LEU CA C 11 58.900 58.824 0.076 1 1 116 . 3 1 1 A 12 12 LEU CB C 11 40.900 29.462 11.438 1 1 117 . 3 1 1 A 12 12 LEU N N 11 124.600 120.536 4.064 1 1 118 . 3 1 1 A 13 13 VAL H H 12 8.180 7.700 0.480 1 1 119 . 3 1 1 A 13 13 VAL HA H 12 3.500 3.968 -0.468 1 1 121 . 3 1 1 A 13 13 VAL CA C 12 67.300 58.190 9.110 1 1 122 . 3 1 1 A 13 13 VAL CB C 12 31.500 41.739 -10.239 1 1 123 . 3 1 1 A 13 13 VAL N N 12 120.300 121.762 -1.462 1 1 124 . 3 1 1 A 14 14 LYS H H 13 8.020 7.551 0.469 1 1 125 . 3 1 1 A 14 14 LYS HA H 13 4.080 3.892 0.188 1 1 132 . 3 1 1 A 14 14 LYS CA C 13 59.200 64.460 -5.260 1 1 133 . 3 1 1 A 14 14 LYS CB C 13 31.500 31.660 -0.160 1 1 134 . 3 1 1 A 14 14 LYS N N 13 118.700 118.696 0.004 1 1 135 . 3 1 1 A 15 15 HIS H H 14 8.580 8.083 0.497 1 1 136 . 3 1 1 A 15 15 HIS HA H 14 4.120 4.110 0.010 1 1 141 . 3 1 1 A 15 15 HIS CA C 14 61.900 58.751 3.149 1 1 142 . 3 1 1 A 15 15 HIS CB C 14 32.000 32.810 -0.810 1 1 143 . 3 1 1 A 15 15 HIS N N 14 117.800 121.611 -3.811 1 1 144 . 3 1 1 A 16 16 LYS H H 15 8.670 8.458 0.212 1 1 145 . 3 1 1 A 16 16 LYS HA H 15 4.220 4.326 -0.106 1 1 154 . 3 1 1 A 16 16 LYS N N 15 120.300 118.090 2.210 1 1 155 . 3 1 1 A 17 17 GLU H H 16 7.910 8.341 -0.431 1 1 156 . 3 1 1 A 17 17 GLU HA H 16 4.160 3.951 0.209 1 1 159 . 3 1 1 A 17 17 GLU N N 16 120.000 119.673 0.327 1 1 160 . 3 1 1 A 18 18 LEU H H 17 8.370 7.682 0.688 1 1 161 . 3 1 1 A 18 18 LEU HA H 17 4.670 4.169 0.501 1 1 171 . 3 1 1 A 18 18 LEU CB C 17 37.300 29.504 7.796 1 1 172 . 3 1 1 A 18 18 LEU N N 17 121.200 120.141 1.059 1 1 173 . 3 1 1 A 19 19 LEU H H 18 8.450 8.273 0.177 1 1 174 . 3 1 1 A 19 19 LEU HA H 18 3.880 4.046 -0.166 1 1 184 . 3 1 1 A 19 19 LEU N N 18 119.300 120.457 -1.157 1 1 185 . 3 1 1 A 20 20 ARG H H 19 7.620 7.990 -0.370 1 1 186 . 3 1 1 A 20 20 ARG HA H 19 4.240 3.913 0.327 1 1 193 . 3 1 1 A 20 20 ARG CA C 19 59.300 57.666 1.634 1 1 194 . 3 1 1 A 20 20 ARG CB C 19 29.800 40.901 -11.101 1 1 195 . 3 1 1 A 20 20 ARG N N 19 117.900 118.408 -0.508 1 1 196 . 3 1 1 A 21 21 ARG H H 20 8.000 7.895 0.105 1 1 197 . 3 1 1 A 21 21 ARG HA H 20 4.120 3.967 0.153 1 1 204 . 3 1 1 A 21 21 ARG CA C 20 59.200 59.812 -0.612 1 1 205 . 3 1 1 A 21 21 ARG CB C 20 29.400 30.016 -0.616 1 1 206 . 3 1 1 A 21 21 ARG N N 20 118.300 119.242 -0.942 1 1 207 . 3 1 1 A 22 22 LYS H H 21 8.600 7.763 0.837 1 1 208 . 3 1 1 A 22 22 LYS HA H 21 4.210 3.960 0.250 1 1 217 . 3 1 1 A 22 22 LYS CA C 21 59.000 59.925 -0.925 1 1 218 . 3 1 1 A 22 22 LYS CB C 21 29.400 30.094 -0.694 1 1 219 . 3 1 1 A 22 22 LYS N N 21 120.900 119.798 1.102 1 1 220 . 3 1 1 A 23 23 ASP H H 22 8.560 7.778 0.782 1 1 221 . 3 1 1 A 23 23 ASP HA H 22 4.650 3.992 0.658 1 1 224 . 3 1 1 A 23 23 ASP CA C 22 57.300 59.640 -2.340 1 1 225 . 3 1 1 A 23 23 ASP CB C 22 40.200 32.257 7.943 1 1 226 . 3 1 1 A 23 23 ASP N N 22 119.500 119.123 0.377 1 1 227 . 3 1 1 A 24 24 THR H H 23 8.240 7.874 0.366 1 1 228 . 3 1 1 A 24 24 THR HA H 23 4.380 4.435 -0.055 1 1 233 . 3 1 1 A 24 24 THR CA C 23 66.600 57.044 9.556 1 1 234 . 3 1 1 A 24 24 THR CB C 23 68.400 40.823 27.577 1 1 235 . 3 1 1 A 24 24 THR N N 23 117.800 120.128 -2.328 1 1 236 . 3 1 1 A 25 25 HIS H H 24 7.970 8.246 -0.276 1 1 237 . 3 1 1 A 25 25 HIS HA H 24 4.600 3.920 0.680 1 1 241 . 3 1 1 A 25 25 HIS CA C 24 57.000 66.378 -9.378 1 1 242 . 3 1 1 A 25 25 HIS CB C 24 32.000 68.823 -36.823 1 1 243 . 3 1 1 A 25 25 HIS N N 24 122.100 114.708 7.392 1 1 244 . 3 1 1 A 26 26 ILE H H 25 8.760 8.485 0.275 1 1 245 . 3 1 1 A 26 26 ILE HA H 25 4.020 4.394 -0.374 1 1 252 . 3 1 1 A 26 26 ILE CA C 25 61.300 60.246 1.054 1 1 253 . 3 1 1 A 26 26 ILE CB C 25 37.900 30.426 7.474 1 1 254 . 3 1 1 A 26 26 ILE N N 25 119.100 122.060 -2.960 1 1 255 . 3 1 1 A 27 27 ARG H H 26 7.820 7.721 0.099 1 1 256 . 3 1 1 A 27 27 ARG HA H 26 4.210 3.787 0.423 1 1 263 . 3 1 1 A 27 27 ARG CA C 26 58.700 64.842 -6.142 1 1 264 . 3 1 1 A 27 27 ARG CB C 26 29.400 37.694 -8.294 1 1 265 . 3 1 1 A 27 27 ARG N N 26 118.300 117.415 0.885 1 1 266 . 3 1 1 A 28 28 GLU H H 27 8.020 8.214 -0.194 1 1 267 . 3 1 1 A 28 28 GLU HA H 27 4.140 3.868 0.272 1 1 272 . 3 1 1 A 28 28 GLU CA C 27 60.500 59.699 0.801 1 1 273 . 3 1 1 A 28 28 GLU N N 27 118.600 122.027 -3.427 1 1 274 . 3 1 1 A 29 29 LEU H H 28 8.370 8.035 0.335 1 1 275 . 3 1 1 A 29 29 LEU HA H 28 4.250 3.999 0.251 1 1 285 . 3 1 1 A 29 29 LEU N N 28 121.200 117.851 3.349 1 1 286 . 3 1 1 A 30 30 GLU H H 29 8.910 8.520 0.390 1 1 287 . 3 1 1 A 30 30 GLU HA H 29 4.180 4.304 -0.124 1 1 290 . 3 1 1 A 30 30 GLU CA C 29 60.100 56.893 3.207 1 1 291 . 3 1 1 A 30 30 GLU CB C 29 29.200 41.865 -12.665 1 1 292 . 3 1 1 A 30 30 GLU N N 29 119.000 121.004 -2.004 1 1 293 . 3 1 1 A 31 31 ASP H H 30 8.580 7.871 0.709 1 1 294 . 3 1 1 A 31 31 ASP HA H 30 4.420 4.069 0.351 1 1 297 . 3 1 1 A 31 31 ASP CA C 30 57.000 59.591 -2.591 1 1 298 . 3 1 1 A 31 31 ASP N N 30 119.400 118.746 0.654 1 1 299 . 3 1 1 A 32 32 TYR H H 31 8.100 7.837 0.263 1 1 300 . 3 1 1 A 32 32 TYR HA H 31 4.520 4.339 0.181 1 1 307 . 3 1 1 A 32 32 TYR CA C 31 58.200 56.778 1.422 1 1 308 . 3 1 1 A 32 32 TYR N N 31 122.100 120.505 1.595 1 1 309 . 3 1 1 A 33 33 ILE HA H 32 4.070 4.306 -0.236 1 1 316 . 3 1 1 A 33 33 ILE CA C 32 58.200 61.234 -3.034 1 1 317 . 3 1 1 A 34 34 ASP H H 33 8.130 7.757 0.373 1 1 318 . 3 1 1 A 34 34 ASP HA H 33 4.380 3.948 0.432 1 1 321 . 3 1 1 A 34 34 ASP CA C 33 57.300 62.593 -5.293 1 1 322 . 3 1 1 A 34 34 ASP CB C 33 40.600 37.731 2.869 1 1 323 . 3 1 1 A 34 34 ASP N N 33 118.100 119.730 -1.630 1 1 324 . 3 1 1 A 35 35 ASN H H 34 7.790 8.094 -0.304 1 1 325 . 3 1 1 A 35 35 ASN HA H 34 4.520 4.427 0.093 1 1 330 . 3 1 1 A 35 35 ASN CA C 34 55.300 57.418 -2.118 1 1 331 . 3 1 1 A 35 35 ASN CB C 34 39.800 40.363 -0.563 1 1 332 . 3 1 1 A 35 35 ASN N N 34 115.600 122.472 -6.872 1 1 333 . 3 1 1 A 36 36 LEU HA H 35 3.750 4.445 -0.695 1 1 343 . 3 1 1 A 36 36 LEU CA C 35 56.300 56.799 -0.499 1 1 344 . 3 1 1 A 37 37 LEU HA H 36 4.280 4.112 0.168 1 1 354 . 3 1 1 A 37 37 LEU CA C 36 55.800 57.416 -1.616 1 1 355 . 3 1 1 A 37 37 LEU CB C 36 42.300 42.323 -0.023 1 1 356 . 3 1 1 A 38 38 VAL H H 37 7.500 7.463 0.037 1 1 357 . 3 1 1 A 38 38 VAL HA H 37 4.070 4.582 -0.512 1 1 365 . 3 1 1 A 38 38 VAL CA C 37 62.800 53.859 8.941 1 1 366 . 3 1 1 A 38 38 VAL CB C 37 33.600 41.641 -8.041 1 1 367 . 3 1 1 A 38 38 VAL N N 37 115.900 112.302 3.598 1 1 368 . 3 1 1 A 39 39 ARG H H 38 7.920 7.974 -0.054 1 1 369 . 3 1 1 A 39 39 ARG HA H 38 4.360 4.469 -0.109 1 1 376 . 3 1 1 A 39 39 ARG CA C 38 60.500 60.052 0.448 1 1 377 . 3 1 1 A 39 39 ARG N N 38 121.300 119.234 2.066 1 1 378 . 3 1 1 A 40 40 VAL H H 39 8.000 8.427 -0.427 1 1 379 . 3 1 1 A 40 40 VAL HA H 39 4.180 4.483 -0.303 1 1 387 . 3 1 1 A 40 40 VAL CA C 39 62.600 56.225 6.375 1 1 388 . 3 1 1 A 40 40 VAL CB C 39 32.600 30.664 1.936 1 1 389 . 3 1 1 A 40 40 VAL N N 39 119.000 124.806 -5.806 1 1 390 . 3 1 1 A 41 41 MET H H 40 7.990 8.487 -0.497 1 1 391 . 3 1 1 A 41 41 MET HA H 40 4.550 4.542 0.008 1 1 399 . 3 1 1 A 41 41 MET CA C 40 56.900 61.291 -4.391 1 1 400 . 3 1 1 A 41 41 MET CB C 40 33.700 33.109 0.591 1 1 6 . 4 1 1 A 3 3 LEU H H 2 8.530 8.560 -0.030 1 1 7 . 4 1 1 A 3 3 LEU HA H 2 4.700 4.398 0.302 1 1 17 . 4 1 1 A 3 3 LEU CA C 2 54.700 61.539 -6.839 1 1 18 . 4 1 1 A 3 3 LEU CB C 2 43.000 63.699 -20.699 1 1 19 . 4 1 1 A 3 3 LEU N N 2 123.300 121.282 2.018 1 1 20 . 4 1 1 A 4 4 THR H H 3 9.520 7.823 1.697 1 1 21 . 4 1 1 A 4 4 THR HA H 3 4.830 4.255 0.575 1 1 26 . 4 1 1 A 4 4 THR CA C 3 61.300 54.718 6.582 1 1 27 . 4 1 1 A 4 4 THR CB C 3 71.100 41.010 30.090 1 1 28 . 4 1 1 A 4 4 THR N N 3 116.200 116.696 -0.496 1 1 29 . 4 1 1 A 5 5 TYR H H 4 9.380 8.506 0.874 1 1 30 . 4 1 1 A 5 5 TYR HA H 4 4.120 4.852 -0.732 1 1 37 . 4 1 1 A 5 5 TYR CA C 4 62.300 60.132 2.168 1 1 38 . 4 1 1 A 5 5 TYR CB C 4 38.600 69.633 -31.033 1 1 39 . 4 1 1 A 5 5 TYR N N 4 121.600 113.910 7.690 1 1 40 . 4 1 1 A 6 6 GLU H H 5 9.000 8.931 0.069 1 1 41 . 4 1 1 A 6 6 GLU HA H 5 3.900 4.145 -0.245 1 1 46 . 4 1 1 A 6 6 GLU CA C 5 60.500 62.246 -1.746 1 1 47 . 4 1 1 A 6 6 GLU CB C 5 28.700 39.010 -10.310 1 1 48 . 4 1 1 A 6 6 GLU N N 5 115.500 121.546 -6.046 1 1 49 . 4 1 1 A 7 7 GLU H H 6 7.920 8.373 -0.453 1 1 50 . 4 1 1 A 7 7 GLU HA H 6 4.060 3.690 0.370 1 1 55 . 4 1 1 A 7 7 GLU CA C 6 59.200 60.110 -0.910 1 1 56 . 4 1 1 A 7 7 GLU CB C 6 30.400 29.134 1.266 1 1 57 . 4 1 1 A 7 7 GLU N N 6 118.900 118.335 0.565 1 1 58 . 4 1 1 A 8 8 VAL H H 7 8.590 7.993 0.597 1 1 59 . 4 1 1 A 8 8 VAL HA H 7 3.640 4.078 -0.438 1 1 67 . 4 1 1 A 8 8 VAL CA C 7 66.400 58.771 7.629 1 1 68 . 4 1 1 A 8 8 VAL CB C 7 30.800 29.406 1.394 1 1 69 . 4 1 1 A 8 8 VAL N N 7 119.300 119.538 -0.238 1 1 70 . 4 1 1 A 9 9 LEU H H 8 8.230 7.575 0.655 1 1 71 . 4 1 1 A 9 9 LEU HA H 8 3.870 3.928 -0.058 1 1 81 . 4 1 1 A 9 9 LEU CA C 8 58.500 64.486 -5.986 1 1 82 . 4 1 1 A 9 9 LEU CB C 8 41.100 32.186 8.914 1 1 83 . 4 1 1 A 9 9 LEU N N 8 120.600 118.284 2.316 1 1 84 . 4 1 1 A 10 10 GLN H H 9 7.910 7.678 0.232 1 1 85 . 4 1 1 A 10 10 GLN HA H 9 4.090 3.680 0.410 1 1 92 . 4 1 1 A 10 10 GLN CA C 9 58.500 58.067 0.433 1 1 93 . 4 1 1 A 10 10 GLN CB C 9 27.900 41.630 -13.730 1 1 94 . 4 1 1 A 10 10 GLN N N 9 117.200 121.802 -4.602 1 1 96 . 4 1 1 A 11 11 GLU H H 10 8.200 7.680 0.520 1 1 97 . 4 1 1 A 11 11 GLU HA H 10 4.210 3.874 0.336 1 1 102 . 4 1 1 A 11 11 GLU CA C 10 58.700 59.166 -0.466 1 1 103 . 4 1 1 A 11 11 GLU CB C 10 29.600 28.146 1.454 1 1 104 . 4 1 1 A 11 11 GLU N N 11 120.200 120.316 -0.116 1 1 105 . 4 1 1 A 12 12 LEU HA H 11 3.910 3.981 -0.071 1 1 115 . 4 1 1 A 12 12 LEU CA C 11 58.900 59.034 -0.134 1 1 116 . 4 1 1 A 12 12 LEU CB C 11 40.900 29.142 11.758 1 1 117 . 4 1 1 A 12 12 LEU N N 11 124.600 120.316 4.284 1 1 118 . 4 1 1 A 13 13 VAL H H 12 8.180 7.915 0.265 1 1 119 . 4 1 1 A 13 13 VAL HA H 12 3.500 3.832 -0.332 1 1 121 . 4 1 1 A 13 13 VAL CA C 12 67.300 58.244 9.056 1 1 122 . 4 1 1 A 13 13 VAL CB C 12 31.500 41.974 -10.474 1 1 123 . 4 1 1 A 13 13 VAL N N 12 120.300 122.580 -2.280 1 1 124 . 4 1 1 A 14 14 LYS H H 13 8.020 8.149 -0.129 1 1 125 . 4 1 1 A 14 14 LYS HA H 13 4.080 3.708 0.372 1 1 132 . 4 1 1 A 14 14 LYS CA C 13 59.200 65.230 -6.030 1 1 133 . 4 1 1 A 14 14 LYS CB C 13 31.500 31.451 0.049 1 1 134 . 4 1 1 A 14 14 LYS N N 13 118.700 118.171 0.529 1 1 135 . 4 1 1 A 15 15 HIS H H 14 8.580 7.487 1.093 1 1 136 . 4 1 1 A 15 15 HIS HA H 14 4.120 3.929 0.191 1 1 141 . 4 1 1 A 15 15 HIS CA C 14 61.900 59.668 2.232 1 1 142 . 4 1 1 A 15 15 HIS CB C 14 32.000 32.317 -0.317 1 1 143 . 4 1 1 A 15 15 HIS N N 14 117.800 122.543 -4.743 1 1 144 . 4 1 1 A 16 16 LYS H H 15 8.670 8.129 0.541 1 1 145 . 4 1 1 A 16 16 LYS HA H 15 4.220 4.291 -0.071 1 1 154 . 4 1 1 A 16 16 LYS N N 15 120.300 118.126 2.174 1 1 155 . 4 1 1 A 17 17 GLU H H 16 7.910 7.908 0.002 1 1 156 . 4 1 1 A 17 17 GLU HA H 16 4.160 4.102 0.058 1 1 159 . 4 1 1 A 17 17 GLU N N 16 120.000 118.844 1.156 1 1 160 . 4 1 1 A 18 18 LEU H H 17 8.370 8.509 -0.139 1 1 161 . 4 1 1 A 18 18 LEU HA H 17 4.670 4.108 0.562 1 1 171 . 4 1 1 A 18 18 LEU CB C 17 37.300 28.757 8.543 1 1 172 . 4 1 1 A 18 18 LEU N N 17 121.200 118.203 2.997 1 1 173 . 4 1 1 A 19 19 LEU H H 18 8.450 8.025 0.425 1 1 174 . 4 1 1 A 19 19 LEU HA H 18 3.880 4.064 -0.184 1 1 184 . 4 1 1 A 19 19 LEU N N 18 119.300 121.586 -2.286 1 1 185 . 4 1 1 A 20 20 ARG H H 19 7.620 7.915 -0.295 1 1 186 . 4 1 1 A 20 20 ARG HA H 19 4.240 4.097 0.143 1 1 193 . 4 1 1 A 20 20 ARG CA C 19 59.300 56.945 2.355 1 1 194 . 4 1 1 A 20 20 ARG CB C 19 29.800 41.584 -11.784 1 1 195 . 4 1 1 A 20 20 ARG N N 19 117.900 120.570 -2.670 1 1 196 . 4 1 1 A 21 21 ARG H H 20 8.000 8.280 -0.280 1 1 197 . 4 1 1 A 21 21 ARG HA H 20 4.120 4.040 0.080 1 1 204 . 4 1 1 A 21 21 ARG CA C 20 59.200 59.772 -0.572 1 1 205 . 4 1 1 A 21 21 ARG CB C 20 29.400 30.070 -0.670 1 1 206 . 4 1 1 A 21 21 ARG N N 20 118.300 119.933 -1.633 1 1 207 . 4 1 1 A 22 22 LYS H H 21 8.600 7.959 0.641 1 1 208 . 4 1 1 A 22 22 LYS HA H 21 4.210 4.025 0.185 1 1 217 . 4 1 1 A 22 22 LYS CA C 21 59.000 59.115 -0.115 1 1 218 . 4 1 1 A 22 22 LYS CB C 21 29.400 29.819 -0.419 1 1 219 . 4 1 1 A 22 22 LYS N N 21 120.900 119.808 1.092 1 1 220 . 4 1 1 A 23 23 ASP H H 22 8.560 7.480 1.080 1 1 221 . 4 1 1 A 23 23 ASP HA H 22 4.650 3.960 0.690 1 1 224 . 4 1 1 A 23 23 ASP CA C 22 57.300 59.289 -1.989 1 1 225 . 4 1 1 A 23 23 ASP CB C 22 40.200 32.194 8.006 1 1 226 . 4 1 1 A 23 23 ASP N N 22 119.500 119.188 0.312 1 1 227 . 4 1 1 A 24 24 THR H H 23 8.240 7.843 0.397 1 1 228 . 4 1 1 A 24 24 THR HA H 23 4.380 4.452 -0.072 1 1 233 . 4 1 1 A 24 24 THR CA C 23 66.600 56.995 9.605 1 1 234 . 4 1 1 A 24 24 THR CB C 23 68.400 40.740 27.660 1 1 235 . 4 1 1 A 24 24 THR N N 23 117.800 119.498 -1.698 1 1 236 . 4 1 1 A 25 25 HIS H H 24 7.970 8.023 -0.053 1 1 237 . 4 1 1 A 25 25 HIS HA H 24 4.600 4.012 0.588 1 1 241 . 4 1 1 A 25 25 HIS CA C 24 57.000 66.087 -9.087 1 1 242 . 4 1 1 A 25 25 HIS CB C 24 32.000 68.431 -36.431 1 1 243 . 4 1 1 A 25 25 HIS N N 24 122.100 116.639 5.461 1 1 244 . 4 1 1 A 26 26 ILE H H 25 8.760 7.918 0.842 1 1 245 . 4 1 1 A 26 26 ILE HA H 25 4.020 4.328 -0.308 1 1 252 . 4 1 1 A 26 26 ILE CA C 25 61.300 59.805 1.495 1 1 253 . 4 1 1 A 26 26 ILE CB C 25 37.900 30.438 7.462 1 1 254 . 4 1 1 A 26 26 ILE N N 25 119.100 120.881 -1.781 1 1 255 . 4 1 1 A 27 27 ARG H H 26 7.820 7.659 0.161 1 1 256 . 4 1 1 A 27 27 ARG HA H 26 4.210 3.751 0.459 1 1 263 . 4 1 1 A 27 27 ARG CA C 26 58.700 64.486 -5.786 1 1 264 . 4 1 1 A 27 27 ARG CB C 26 29.400 37.199 -7.799 1 1 265 . 4 1 1 A 27 27 ARG N N 26 118.300 116.785 1.515 1 1 266 . 4 1 1 A 28 28 GLU H H 27 8.020 8.100 -0.080 1 1 267 . 4 1 1 A 28 28 GLU HA H 27 4.140 3.926 0.214 1 1 272 . 4 1 1 A 28 28 GLU CA C 27 60.500 59.722 0.778 1 1 273 . 4 1 1 A 28 28 GLU N N 27 118.600 121.349 -2.749 1 1 274 . 4 1 1 A 29 29 LEU H H 28 8.370 8.381 -0.011 1 1 275 . 4 1 1 A 29 29 LEU HA H 28 4.250 4.127 0.123 1 1 285 . 4 1 1 A 29 29 LEU N N 28 121.200 117.710 3.490 1 1 286 . 4 1 1 A 30 30 GLU H H 29 8.910 8.266 0.644 1 1 287 . 4 1 1 A 30 30 GLU HA H 29 4.180 3.920 0.260 1 1 290 . 4 1 1 A 30 30 GLU CA C 29 60.100 57.396 2.704 1 1 291 . 4 1 1 A 30 30 GLU CB C 29 29.200 40.819 -11.619 1 1 292 . 4 1 1 A 30 30 GLU N N 29 119.000 122.553 -3.553 1 1 293 . 4 1 1 A 31 31 ASP H H 30 8.580 7.989 0.591 1 1 294 . 4 1 1 A 31 31 ASP HA H 30 4.420 4.077 0.343 1 1 297 . 4 1 1 A 31 31 ASP CA C 30 57.000 59.637 -2.637 1 1 298 . 4 1 1 A 31 31 ASP N N 30 119.400 119.489 -0.089 1 1 299 . 4 1 1 A 32 32 TYR H H 31 8.100 7.726 0.374 1 1 300 . 4 1 1 A 32 32 TYR HA H 31 4.520 4.443 0.077 1 1 307 . 4 1 1 A 32 32 TYR CA C 31 58.200 57.201 0.999 1 1 308 . 4 1 1 A 32 32 TYR N N 31 122.100 119.479 2.621 1 1 309 . 4 1 1 A 33 33 ILE HA H 32 4.070 4.297 -0.227 1 1 316 . 4 1 1 A 33 33 ILE CA C 32 58.200 61.132 -2.932 1 1 317 . 4 1 1 A 34 34 ASP H H 33 8.130 8.169 -0.039 1 1 318 . 4 1 1 A 34 34 ASP HA H 33 4.380 3.704 0.676 1 1 321 . 4 1 1 A 34 34 ASP CA C 33 57.300 64.387 -7.087 1 1 322 . 4 1 1 A 34 34 ASP CB C 33 40.600 36.667 3.933 1 1 323 . 4 1 1 A 34 34 ASP N N 33 118.100 120.150 -2.050 1 1 324 . 4 1 1 A 35 35 ASN H H 34 7.790 7.895 -0.105 1 1 325 . 4 1 1 A 35 35 ASN HA H 34 4.520 4.414 0.106 1 1 330 . 4 1 1 A 35 35 ASN CA C 34 55.300 57.650 -2.350 1 1 331 . 4 1 1 A 35 35 ASN CB C 34 39.800 40.444 -0.644 1 1 332 . 4 1 1 A 35 35 ASN N N 34 115.600 121.773 -6.173 1 1 333 . 4 1 1 A 36 36 LEU HA H 35 3.750 4.339 -0.589 1 1 343 . 4 1 1 A 36 36 LEU CA C 35 56.300 56.748 -0.448 1 1 344 . 4 1 1 A 37 37 LEU HA H 36 4.280 4.045 0.235 1 1 354 . 4 1 1 A 37 37 LEU CA C 36 55.800 57.858 -2.058 1 1 355 . 4 1 1 A 37 37 LEU CB C 36 42.300 41.629 0.671 1 1 356 . 4 1 1 A 38 38 VAL H H 37 7.500 7.536 -0.036 1 1 357 . 4 1 1 A 38 38 VAL HA H 37 4.070 4.523 -0.453 1 1 365 . 4 1 1 A 38 38 VAL CA C 37 62.800 53.870 8.930 1 1 366 . 4 1 1 A 38 38 VAL CB C 37 33.600 41.498 -7.898 1 1 367 . 4 1 1 A 38 38 VAL N N 37 115.900 112.329 3.571 1 1 368 . 4 1 1 A 39 39 ARG H H 38 7.920 7.795 0.125 1 1 369 . 4 1 1 A 39 39 ARG HA H 38 4.360 4.334 0.026 1 1 376 . 4 1 1 A 39 39 ARG CA C 38 60.500 60.398 0.102 1 1 377 . 4 1 1 A 39 39 ARG N N 38 121.300 118.999 2.301 1 1 378 . 4 1 1 A 40 40 VAL H H 39 8.000 8.370 -0.370 1 1 379 . 4 1 1 A 40 40 VAL HA H 39 4.180 4.267 -0.087 1 1 387 . 4 1 1 A 40 40 VAL CA C 39 62.600 57.236 5.364 1 1 388 . 4 1 1 A 40 40 VAL CB C 39 32.600 30.945 1.655 1 1 389 . 4 1 1 A 40 40 VAL N N 39 119.000 127.095 -8.095 1 1 390 . 4 1 1 A 41 41 MET H H 40 7.990 8.761 -0.771 1 1 391 . 4 1 1 A 41 41 MET HA H 40 4.550 4.855 -0.305 1 1 399 . 4 1 1 A 41 41 MET CA C 40 56.900 60.036 -3.136 1 1 400 . 4 1 1 A 41 41 MET CB C 40 33.700 33.692 0.008 1 1 6 . 5 1 1 A 3 3 LEU H H 2 8.530 8.577 -0.047 1 1 7 . 5 1 1 A 3 3 LEU HA H 2 4.700 4.491 0.209 1 1 17 . 5 1 1 A 3 3 LEU CA C 2 54.700 59.004 -4.304 1 1 18 . 5 1 1 A 3 3 LEU CB C 2 43.000 63.943 -20.943 1 1 19 . 5 1 1 A 3 3 LEU N N 2 123.300 121.799 1.501 1 1 20 . 5 1 1 A 4 4 THR H H 3 9.520 7.579 1.941 1 1 21 . 5 1 1 A 4 4 THR HA H 3 4.830 4.447 0.383 1 1 26 . 5 1 1 A 4 4 THR CA C 3 61.300 54.495 6.805 1 1 27 . 5 1 1 A 4 4 THR CB C 3 71.100 39.238 31.862 1 1 28 . 5 1 1 A 4 4 THR N N 3 116.200 119.979 -3.779 1 1 29 . 5 1 1 A 5 5 TYR H H 4 9.380 8.324 1.056 1 1 30 . 5 1 1 A 5 5 TYR HA H 4 4.120 4.619 -0.499 1 1 37 . 5 1 1 A 5 5 TYR CA C 4 62.300 60.881 1.419 1 1 38 . 5 1 1 A 5 5 TYR CB C 4 38.600 71.077 -32.477 1 1 39 . 5 1 1 A 5 5 TYR N N 4 121.600 111.343 10.257 1 1 40 . 5 1 1 A 6 6 GLU H H 5 9.000 9.065 -0.065 1 1 41 . 5 1 1 A 6 6 GLU HA H 5 3.900 4.162 -0.262 1 1 46 . 5 1 1 A 6 6 GLU CA C 5 60.500 62.339 -1.839 1 1 47 . 5 1 1 A 6 6 GLU CB C 5 28.700 39.116 -10.416 1 1 48 . 5 1 1 A 6 6 GLU N N 5 115.500 122.131 -6.631 1 1 49 . 5 1 1 A 7 7 GLU H H 6 7.920 8.340 -0.420 1 1 50 . 5 1 1 A 7 7 GLU HA H 6 4.060 4.047 0.013 1 1 55 . 5 1 1 A 7 7 GLU CA C 6 59.200 58.487 0.713 1 1 56 . 5 1 1 A 7 7 GLU CB C 6 30.400 29.117 1.283 1 1 57 . 5 1 1 A 7 7 GLU N N 6 118.900 118.834 0.066 1 1 58 . 5 1 1 A 8 8 VAL H H 7 8.590 8.362 0.228 1 1 59 . 5 1 1 A 8 8 VAL HA H 7 3.640 4.065 -0.425 1 1 67 . 5 1 1 A 8 8 VAL CA C 7 66.400 58.598 7.802 1 1 68 . 5 1 1 A 8 8 VAL CB C 7 30.800 29.470 1.330 1 1 69 . 5 1 1 A 8 8 VAL N N 7 119.300 119.954 -0.654 1 1 70 . 5 1 1 A 9 9 LEU H H 8 8.230 7.522 0.708 1 1 71 . 5 1 1 A 9 9 LEU HA H 8 3.870 3.805 0.065 1 1 81 . 5 1 1 A 9 9 LEU CA C 8 58.500 64.935 -6.435 1 1 82 . 5 1 1 A 9 9 LEU CB C 8 41.100 31.405 9.695 1 1 83 . 5 1 1 A 9 9 LEU N N 8 120.600 119.400 1.200 1 1 84 . 5 1 1 A 10 10 GLN H H 9 7.910 7.754 0.156 1 1 85 . 5 1 1 A 10 10 GLN HA H 9 4.090 3.740 0.350 1 1 92 . 5 1 1 A 10 10 GLN CA C 9 58.500 58.034 0.466 1 1 93 . 5 1 1 A 10 10 GLN CB C 9 27.900 41.374 -13.474 1 1 94 . 5 1 1 A 10 10 GLN N N 9 117.200 121.160 -3.960 1 1 96 . 5 1 1 A 11 11 GLU H H 10 8.200 8.115 0.085 1 1 97 . 5 1 1 A 11 11 GLU HA H 10 4.210 4.113 0.097 1 1 102 . 5 1 1 A 11 11 GLU CA C 10 58.700 58.611 0.089 1 1 103 . 5 1 1 A 11 11 GLU CB C 10 29.600 28.445 1.155 1 1 104 . 5 1 1 A 11 11 GLU N N 11 120.200 120.225 -0.025 1 1 105 . 5 1 1 A 12 12 LEU HA H 11 3.910 4.040 -0.130 1 1 115 . 5 1 1 A 12 12 LEU CA C 11 58.900 58.879 0.021 1 1 116 . 5 1 1 A 12 12 LEU CB C 11 40.900 28.999 11.901 1 1 117 . 5 1 1 A 12 12 LEU N N 11 124.600 120.225 4.375 1 1 118 . 5 1 1 A 13 13 VAL H H 12 8.180 7.759 0.421 1 1 119 . 5 1 1 A 13 13 VAL HA H 12 3.500 3.825 -0.325 1 1 121 . 5 1 1 A 13 13 VAL CA C 12 67.300 57.899 9.401 1 1 122 . 5 1 1 A 13 13 VAL CB C 12 31.500 41.700 -10.200 1 1 123 . 5 1 1 A 13 13 VAL N N 12 120.300 121.888 -1.588 1 1 124 . 5 1 1 A 14 14 LYS H H 13 8.020 7.774 0.246 1 1 125 . 5 1 1 A 14 14 LYS HA H 13 4.080 3.643 0.437 1 1 132 . 5 1 1 A 14 14 LYS CA C 13 59.200 65.417 -6.217 1 1 133 . 5 1 1 A 14 14 LYS CB C 13 31.500 31.378 0.122 1 1 134 . 5 1 1 A 14 14 LYS N N 13 118.700 118.478 0.222 1 1 135 . 5 1 1 A 15 15 HIS H H 14 8.580 7.682 0.898 1 1 136 . 5 1 1 A 15 15 HIS HA H 14 4.120 4.063 0.057 1 1 141 . 5 1 1 A 15 15 HIS CA C 14 61.900 58.974 2.926 1 1 142 . 5 1 1 A 15 15 HIS CB C 14 32.000 32.436 -0.436 1 1 143 . 5 1 1 A 15 15 HIS N N 14 117.800 121.124 -3.324 1 1 144 . 5 1 1 A 16 16 LYS H H 15 8.670 7.497 1.173 1 1 145 . 5 1 1 A 16 16 LYS HA H 15 4.220 4.386 -0.166 1 1 154 . 5 1 1 A 16 16 LYS N N 15 120.300 118.940 1.360 1 1 155 . 5 1 1 A 17 17 GLU H H 16 7.910 8.190 -0.280 1 1 156 . 5 1 1 A 17 17 GLU HA H 16 4.160 4.056 0.104 1 1 159 . 5 1 1 A 17 17 GLU N N 16 120.000 119.762 0.238 1 1 160 . 5 1 1 A 18 18 LEU H H 17 8.370 8.313 0.057 1 1 161 . 5 1 1 A 18 18 LEU HA H 17 4.670 4.209 0.461 1 1 171 . 5 1 1 A 18 18 LEU CB C 17 37.300 29.369 7.931 1 1 172 . 5 1 1 A 18 18 LEU N N 17 121.200 119.855 1.345 1 1 173 . 5 1 1 A 19 19 LEU H H 18 8.450 8.188 0.262 1 1 174 . 5 1 1 A 19 19 LEU HA H 18 3.880 4.094 -0.214 1 1 184 . 5 1 1 A 19 19 LEU N N 18 119.300 119.815 -0.515 1 1 185 . 5 1 1 A 20 20 ARG H H 19 7.620 7.832 -0.212 1 1 186 . 5 1 1 A 20 20 ARG HA H 19 4.240 3.914 0.326 1 1 193 . 5 1 1 A 20 20 ARG CA C 19 59.300 57.652 1.648 1 1 194 . 5 1 1 A 20 20 ARG CB C 19 29.800 40.837 -11.037 1 1 195 . 5 1 1 A 20 20 ARG N N 19 117.900 118.964 -1.064 1 1 196 . 5 1 1 A 21 21 ARG H H 20 8.000 7.768 0.232 1 1 197 . 5 1 1 A 21 21 ARG HA H 20 4.120 3.987 0.133 1 1 204 . 5 1 1 A 21 21 ARG CA C 20 59.200 59.877 -0.677 1 1 205 . 5 1 1 A 21 21 ARG CB C 20 29.400 30.027 -0.627 1 1 206 . 5 1 1 A 21 21 ARG N N 20 118.300 119.417 -1.117 1 1 207 . 5 1 1 A 22 22 LYS H H 21 8.600 7.581 1.019 1 1 208 . 5 1 1 A 22 22 LYS HA H 21 4.210 3.968 0.242 1 1 217 . 5 1 1 A 22 22 LYS CA C 21 59.000 59.523 -0.523 1 1 218 . 5 1 1 A 22 22 LYS CB C 21 29.400 29.992 -0.592 1 1 219 . 5 1 1 A 22 22 LYS N N 21 120.900 119.706 1.194 1 1 220 . 5 1 1 A 23 23 ASP H H 22 8.560 7.606 0.954 1 1 221 . 5 1 1 A 23 23 ASP HA H 22 4.650 4.007 0.643 1 1 224 . 5 1 1 A 23 23 ASP CA C 22 57.300 59.727 -2.427 1 1 225 . 5 1 1 A 23 23 ASP CB C 22 40.200 32.295 7.905 1 1 226 . 5 1 1 A 23 23 ASP N N 22 119.500 119.077 0.423 1 1 227 . 5 1 1 A 24 24 THR H H 23 8.240 7.880 0.360 1 1 228 . 5 1 1 A 24 24 THR HA H 23 4.380 4.459 -0.079 1 1 233 . 5 1 1 A 24 24 THR CA C 23 66.600 56.968 9.632 1 1 234 . 5 1 1 A 24 24 THR CB C 23 68.400 40.883 27.517 1 1 235 . 5 1 1 A 24 24 THR N N 23 117.800 119.456 -1.656 1 1 236 . 5 1 1 A 25 25 HIS H H 24 7.970 8.178 -0.208 1 1 237 . 5 1 1 A 25 25 HIS HA H 24 4.600 3.968 0.632 1 1 241 . 5 1 1 A 25 25 HIS CA C 24 57.000 66.417 -9.417 1 1 242 . 5 1 1 A 25 25 HIS CB C 24 32.000 68.819 -36.819 1 1 243 . 5 1 1 A 25 25 HIS N N 24 122.100 114.890 7.210 1 1 244 . 5 1 1 A 26 26 ILE H H 25 8.760 8.271 0.489 1 1 245 . 5 1 1 A 26 26 ILE HA H 25 4.020 4.405 -0.385 1 1 252 . 5 1 1 A 26 26 ILE CA C 25 61.300 59.999 1.301 1 1 253 . 5 1 1 A 26 26 ILE CB C 25 37.900 30.516 7.384 1 1 254 . 5 1 1 A 26 26 ILE N N 25 119.100 121.470 -2.370 1 1 255 . 5 1 1 A 27 27 ARG H H 26 7.820 7.738 0.082 1 1 256 . 5 1 1 A 27 27 ARG HA H 26 4.210 3.918 0.292 1 1 263 . 5 1 1 A 27 27 ARG CA C 26 58.700 64.158 -5.458 1 1 264 . 5 1 1 A 27 27 ARG CB C 26 29.400 37.495 -8.095 1 1 265 . 5 1 1 A 27 27 ARG N N 26 118.300 116.213 2.087 1 1 266 . 5 1 1 A 28 28 GLU H H 27 8.020 7.936 0.084 1 1 267 . 5 1 1 A 28 28 GLU HA H 27 4.140 4.064 0.076 1 1 272 . 5 1 1 A 28 28 GLU CA C 27 60.500 59.025 1.475 1 1 273 . 5 1 1 A 28 28 GLU N N 27 118.600 121.573 -2.973 1 1 274 . 5 1 1 A 29 29 LEU H H 28 8.370 8.275 0.095 1 1 275 . 5 1 1 A 29 29 LEU HA H 28 4.250 4.084 0.166 1 1 285 . 5 1 1 A 29 29 LEU N N 28 121.200 117.765 3.435 1 1 286 . 5 1 1 A 30 30 GLU H H 29 8.910 8.497 0.413 1 1 287 . 5 1 1 A 30 30 GLU HA H 29 4.180 4.413 -0.233 1 1 290 . 5 1 1 A 30 30 GLU CA C 29 60.100 57.162 2.938 1 1 291 . 5 1 1 A 30 30 GLU CB C 29 29.200 41.765 -12.565 1 1 292 . 5 1 1 A 30 30 GLU N N 29 119.000 121.847 -2.847 1 1 293 . 5 1 1 A 31 31 ASP H H 30 8.580 8.149 0.431 1 1 294 . 5 1 1 A 31 31 ASP HA H 30 4.420 4.048 0.372 1 1 297 . 5 1 1 A 31 31 ASP CA C 30 57.000 59.631 -2.631 1 1 298 . 5 1 1 A 31 31 ASP N N 30 119.400 119.471 -0.071 1 1 299 . 5 1 1 A 32 32 TYR H H 31 8.100 7.626 0.474 1 1 300 . 5 1 1 A 32 32 TYR HA H 31 4.520 4.461 0.059 1 1 307 . 5 1 1 A 32 32 TYR CA C 31 58.200 56.661 1.539 1 1 308 . 5 1 1 A 32 32 TYR N N 31 122.100 118.563 3.537 1 1 309 . 5 1 1 A 33 33 ILE HA H 32 4.070 4.321 -0.251 1 1 316 . 5 1 1 A 33 33 ILE CA C 32 58.200 60.980 -2.780 1 1 317 . 5 1 1 A 34 34 ASP H H 33 8.130 7.816 0.314 1 1 318 . 5 1 1 A 34 34 ASP HA H 33 4.380 3.978 0.402 1 1 321 . 5 1 1 A 34 34 ASP CA C 33 57.300 62.533 -5.233 1 1 322 . 5 1 1 A 34 34 ASP CB C 33 40.600 37.763 2.837 1 1 323 . 5 1 1 A 34 34 ASP N N 33 118.100 119.722 -1.622 1 1 324 . 5 1 1 A 35 35 ASN H H 34 7.790 8.109 -0.319 1 1 325 . 5 1 1 A 35 35 ASN HA H 34 4.520 4.406 0.114 1 1 330 . 5 1 1 A 35 35 ASN CA C 34 55.300 57.432 -2.132 1 1 331 . 5 1 1 A 35 35 ASN CB C 34 39.800 40.220 -0.420 1 1 332 . 5 1 1 A 35 35 ASN N N 34 115.600 122.685 -7.085 1 1 333 . 5 1 1 A 36 36 LEU HA H 35 3.750 4.384 -0.634 1 1 343 . 5 1 1 A 36 36 LEU CA C 35 56.300 56.870 -0.570 1 1 344 . 5 1 1 A 37 37 LEU HA H 36 4.280 4.109 0.171 1 1 354 . 5 1 1 A 37 37 LEU CA C 36 55.800 57.577 -1.777 1 1 355 . 5 1 1 A 37 37 LEU CB C 36 42.300 41.953 0.347 1 1 356 . 5 1 1 A 38 38 VAL H H 37 7.500 7.477 0.023 1 1 357 . 5 1 1 A 38 38 VAL HA H 37 4.070 4.574 -0.504 1 1 365 . 5 1 1 A 38 38 VAL CA C 37 62.800 53.863 8.937 1 1 366 . 5 1 1 A 38 38 VAL CB C 37 33.600 41.611 -8.011 1 1 367 . 5 1 1 A 38 38 VAL N N 37 115.900 112.329 3.571 1 1 368 . 5 1 1 A 39 39 ARG H H 38 7.920 7.979 -0.059 1 1 369 . 5 1 1 A 39 39 ARG HA H 38 4.360 4.538 -0.178 1 1 376 . 5 1 1 A 39 39 ARG CA C 38 60.500 60.010 0.490 1 1 377 . 5 1 1 A 39 39 ARG N N 38 121.300 119.469 1.831 1 1 378 . 5 1 1 A 40 40 VAL H H 39 8.000 8.440 -0.440 1 1 379 . 5 1 1 A 40 40 VAL HA H 39 4.180 4.525 -0.345 1 1 387 . 5 1 1 A 40 40 VAL CA C 39 62.600 55.964 6.636 1 1 388 . 5 1 1 A 40 40 VAL CB C 39 32.600 30.814 1.786 1 1 389 . 5 1 1 A 40 40 VAL N N 39 119.000 124.860 -5.860 1 1 390 . 5 1 1 A 41 41 MET H H 40 7.990 8.384 -0.394 1 1 391 . 5 1 1 A 41 41 MET HA H 40 4.550 4.366 0.184 1 1 399 . 5 1 1 A 41 41 MET CA C 40 56.900 61.360 -4.460 1 1 400 . 5 1 1 A 41 41 MET CB C 40 33.700 32.887 0.813 1 1 6 . 6 1 1 A 3 3 LEU H H 2 8.530 8.392 0.138 1 1 7 . 6 1 1 A 3 3 LEU HA H 2 4.700 4.657 0.043 1 1 17 . 6 1 1 A 3 3 LEU CA C 2 54.700 58.066 -3.366 1 1 18 . 6 1 1 A 3 3 LEU CB C 2 43.000 63.309 -20.309 1 1 19 . 6 1 1 A 3 3 LEU N N 2 123.300 121.342 1.958 1 1 20 . 6 1 1 A 4 4 THR H H 3 9.520 7.547 1.973 1 1 21 . 6 1 1 A 4 4 THR HA H 3 4.830 4.509 0.321 1 1 26 . 6 1 1 A 4 4 THR CA C 3 61.300 54.015 7.285 1 1 27 . 6 1 1 A 4 4 THR CB C 3 71.100 40.489 30.611 1 1 28 . 6 1 1 A 4 4 THR N N 3 116.200 122.712 -6.512 1 1 29 . 6 1 1 A 5 5 TYR H H 4 9.380 7.947 1.433 1 1 30 . 6 1 1 A 5 5 TYR HA H 4 4.120 4.725 -0.605 1 1 37 . 6 1 1 A 5 5 TYR CA C 4 62.300 60.793 1.507 1 1 38 . 6 1 1 A 5 5 TYR CB C 4 38.600 71.840 -33.240 1 1 39 . 6 1 1 A 5 5 TYR N N 4 121.600 110.675 10.925 1 1 40 . 6 1 1 A 6 6 GLU H H 5 9.000 9.056 -0.056 1 1 41 . 6 1 1 A 6 6 GLU HA H 5 3.900 4.198 -0.298 1 1 46 . 6 1 1 A 6 6 GLU CA C 5 60.500 61.717 -1.217 1 1 47 . 6 1 1 A 6 6 GLU CB C 5 28.700 38.913 -10.213 1 1 48 . 6 1 1 A 6 6 GLU N N 5 115.500 122.152 -6.652 1 1 49 . 6 1 1 A 7 7 GLU H H 6 7.920 8.450 -0.530 1 1 50 . 6 1 1 A 7 7 GLU HA H 6 4.060 4.070 -0.010 1 1 55 . 6 1 1 A 7 7 GLU CA C 6 59.200 58.114 1.086 1 1 56 . 6 1 1 A 7 7 GLU CB C 6 30.400 29.164 1.236 1 1 57 . 6 1 1 A 7 7 GLU N N 6 118.900 118.445 0.455 1 1 58 . 6 1 1 A 8 8 VAL H H 7 8.590 8.112 0.478 1 1 59 . 6 1 1 A 8 8 VAL HA H 7 3.640 4.217 -0.577 1 1 67 . 6 1 1 A 8 8 VAL CA C 7 66.400 58.210 8.190 1 1 68 . 6 1 1 A 8 8 VAL CB C 7 30.800 29.905 0.895 1 1 69 . 6 1 1 A 8 8 VAL N N 7 119.300 120.328 -1.028 1 1 70 . 6 1 1 A 9 9 LEU H H 8 8.230 7.417 0.813 1 1 71 . 6 1 1 A 9 9 LEU HA H 8 3.870 4.038 -0.168 1 1 81 . 6 1 1 A 9 9 LEU CA C 8 58.500 65.065 -6.565 1 1 82 . 6 1 1 A 9 9 LEU CB C 8 41.100 31.363 9.737 1 1 83 . 6 1 1 A 9 9 LEU N N 8 120.600 119.606 0.994 1 1 84 . 6 1 1 A 10 10 GLN H H 9 7.910 7.532 0.378 1 1 85 . 6 1 1 A 10 10 GLN HA H 9 4.090 3.769 0.321 1 1 92 . 6 1 1 A 10 10 GLN CA C 9 58.500 58.245 0.255 1 1 93 . 6 1 1 A 10 10 GLN CB C 9 27.900 41.412 -13.512 1 1 94 . 6 1 1 A 10 10 GLN N N 9 117.200 121.044 -3.844 1 1 96 . 6 1 1 A 11 11 GLU H H 10 8.200 7.980 0.220 1 1 97 . 6 1 1 A 11 11 GLU HA H 10 4.210 4.151 0.059 1 1 102 . 6 1 1 A 11 11 GLU CA C 10 58.700 58.725 -0.025 1 1 103 . 6 1 1 A 11 11 GLU CB C 10 29.600 28.667 0.933 1 1 104 . 6 1 1 A 11 11 GLU N N 11 120.200 120.465 -0.265 1 1 105 . 6 1 1 A 12 12 LEU HA H 11 3.910 4.142 -0.232 1 1 115 . 6 1 1 A 12 12 LEU CA C 11 58.900 59.439 -0.539 1 1 116 . 6 1 1 A 12 12 LEU CB C 11 40.900 28.760 12.140 1 1 117 . 6 1 1 A 12 12 LEU N N 11 124.600 120.465 4.135 1 1 118 . 6 1 1 A 13 13 VAL H H 12 8.180 7.691 0.489 1 1 119 . 6 1 1 A 13 13 VAL HA H 12 3.500 3.967 -0.467 1 1 121 . 6 1 1 A 13 13 VAL CA C 12 67.300 58.223 9.077 1 1 122 . 6 1 1 A 13 13 VAL CB C 12 31.500 41.934 -10.434 1 1 123 . 6 1 1 A 13 13 VAL N N 12 120.300 122.783 -2.483 1 1 124 . 6 1 1 A 14 14 LYS H H 13 8.020 7.893 0.127 1 1 125 . 6 1 1 A 14 14 LYS HA H 13 4.080 3.663 0.417 1 1 132 . 6 1 1 A 14 14 LYS CA C 13 59.200 65.448 -6.248 1 1 133 . 6 1 1 A 14 14 LYS CB C 13 31.500 31.754 -0.254 1 1 134 . 6 1 1 A 14 14 LYS N N 13 118.700 118.636 0.064 1 1 135 . 6 1 1 A 15 15 HIS H H 14 8.580 7.786 0.794 1 1 136 . 6 1 1 A 15 15 HIS HA H 14 4.120 4.013 0.107 1 1 141 . 6 1 1 A 15 15 HIS CA C 14 61.900 59.164 2.736 1 1 142 . 6 1 1 A 15 15 HIS CB C 14 32.000 32.420 -0.420 1 1 143 . 6 1 1 A 15 15 HIS N N 14 117.800 120.360 -2.560 1 1 144 . 6 1 1 A 16 16 LYS H H 15 8.670 7.621 1.049 1 1 145 . 6 1 1 A 16 16 LYS HA H 15 4.220 4.394 -0.174 1 1 154 . 6 1 1 A 16 16 LYS N N 15 120.300 118.897 1.403 1 1 155 . 6 1 1 A 17 17 GLU H H 16 7.910 8.091 -0.181 1 1 156 . 6 1 1 A 17 17 GLU HA H 16 4.160 3.910 0.250 1 1 159 . 6 1 1 A 17 17 GLU N N 16 120.000 119.607 0.393 1 1 160 . 6 1 1 A 18 18 LEU H H 17 8.370 8.323 0.047 1 1 161 . 6 1 1 A 18 18 LEU HA H 17 4.670 4.080 0.590 1 1 171 . 6 1 1 A 18 18 LEU CB C 17 37.300 29.324 7.976 1 1 172 . 6 1 1 A 18 18 LEU N N 17 121.200 120.260 0.940 1 1 173 . 6 1 1 A 19 19 LEU H H 18 8.450 8.254 0.196 1 1 174 . 6 1 1 A 19 19 LEU HA H 18 3.880 3.882 -0.002 1 1 184 . 6 1 1 A 19 19 LEU N N 18 119.300 120.268 -0.968 1 1 185 . 6 1 1 A 20 20 ARG H H 19 7.620 7.966 -0.346 1 1 186 . 6 1 1 A 20 20 ARG HA H 19 4.240 3.897 0.343 1 1 193 . 6 1 1 A 20 20 ARG CA C 19 59.300 57.956 1.344 1 1 194 . 6 1 1 A 20 20 ARG CB C 19 29.800 41.208 -11.408 1 1 195 . 6 1 1 A 20 20 ARG N N 19 117.900 118.133 -0.233 1 1 196 . 6 1 1 A 21 21 ARG H H 20 8.000 8.184 -0.184 1 1 197 . 6 1 1 A 21 21 ARG HA H 20 4.120 3.996 0.124 1 1 204 . 6 1 1 A 21 21 ARG CA C 20 59.200 59.796 -0.596 1 1 205 . 6 1 1 A 21 21 ARG CB C 20 29.400 29.983 -0.583 1 1 206 . 6 1 1 A 21 21 ARG N N 20 118.300 119.274 -0.974 1 1 207 . 6 1 1 A 22 22 LYS H H 21 8.600 7.806 0.794 1 1 208 . 6 1 1 A 22 22 LYS HA H 21 4.210 4.010 0.200 1 1 217 . 6 1 1 A 22 22 LYS CA C 21 59.000 59.025 -0.025 1 1 218 . 6 1 1 A 22 22 LYS CB C 21 29.400 30.000 -0.600 1 1 219 . 6 1 1 A 22 22 LYS N N 21 120.900 119.607 1.293 1 1 220 . 6 1 1 A 23 23 ASP H H 22 8.560 7.683 0.877 1 1 221 . 6 1 1 A 23 23 ASP HA H 22 4.650 4.019 0.631 1 1 224 . 6 1 1 A 23 23 ASP CA C 22 57.300 59.529 -2.229 1 1 225 . 6 1 1 A 23 23 ASP CB C 22 40.200 32.056 8.144 1 1 226 . 6 1 1 A 23 23 ASP N N 22 119.500 118.774 0.726 1 1 227 . 6 1 1 A 24 24 THR H H 23 8.240 7.927 0.313 1 1 228 . 6 1 1 A 24 24 THR HA H 23 4.380 4.451 -0.071 1 1 233 . 6 1 1 A 24 24 THR CA C 23 66.600 56.879 9.721 1 1 234 . 6 1 1 A 24 24 THR CB C 23 68.400 40.888 27.512 1 1 235 . 6 1 1 A 24 24 THR N N 23 117.800 119.488 -1.688 1 1 236 . 6 1 1 A 25 25 HIS H H 24 7.970 8.035 -0.065 1 1 237 . 6 1 1 A 25 25 HIS HA H 24 4.600 4.030 0.570 1 1 241 . 6 1 1 A 25 25 HIS CA C 24 57.000 66.088 -9.088 1 1 242 . 6 1 1 A 25 25 HIS CB C 24 32.000 68.813 -36.813 1 1 243 . 6 1 1 A 25 25 HIS N N 24 122.100 115.301 6.799 1 1 244 . 6 1 1 A 26 26 ILE H H 25 8.760 8.138 0.622 1 1 245 . 6 1 1 A 26 26 ILE HA H 25 4.020 4.395 -0.375 1 1 252 . 6 1 1 A 26 26 ILE CA C 25 61.300 59.704 1.596 1 1 253 . 6 1 1 A 26 26 ILE CB C 25 37.900 30.197 7.703 1 1 254 . 6 1 1 A 26 26 ILE N N 25 119.100 120.903 -1.803 1 1 255 . 6 1 1 A 27 27 ARG H H 26 7.820 7.660 0.160 1 1 256 . 6 1 1 A 27 27 ARG HA H 26 4.210 3.874 0.336 1 1 263 . 6 1 1 A 27 27 ARG CA C 26 58.700 63.827 -5.127 1 1 264 . 6 1 1 A 27 27 ARG CB C 26 29.400 37.486 -8.086 1 1 265 . 6 1 1 A 27 27 ARG N N 26 118.300 116.553 1.747 1 1 266 . 6 1 1 A 28 28 GLU H H 27 8.020 7.955 0.065 1 1 267 . 6 1 1 A 28 28 GLU HA H 27 4.140 4.075 0.065 1 1 272 . 6 1 1 A 28 28 GLU CA C 27 60.500 58.954 1.546 1 1 273 . 6 1 1 A 28 28 GLU N N 27 118.600 121.722 -3.122 1 1 274 . 6 1 1 A 29 29 LEU H H 28 8.370 8.161 0.209 1 1 275 . 6 1 1 A 29 29 LEU HA H 28 4.250 4.144 0.106 1 1 285 . 6 1 1 A 29 29 LEU N N 28 121.200 117.561 3.639 1 1 286 . 6 1 1 A 30 30 GLU H H 29 8.910 8.115 0.795 1 1 287 . 6 1 1 A 30 30 GLU HA H 29 4.180 4.321 -0.141 1 1 290 . 6 1 1 A 30 30 GLU CA C 29 60.100 56.776 3.324 1 1 291 . 6 1 1 A 30 30 GLU CB C 29 29.200 41.465 -12.265 1 1 292 . 6 1 1 A 30 30 GLU N N 29 119.000 121.013 -2.013 1 1 293 . 6 1 1 A 31 31 ASP H H 30 8.580 8.322 0.258 1 1 294 . 6 1 1 A 31 31 ASP HA H 30 4.420 4.047 0.373 1 1 297 . 6 1 1 A 31 31 ASP CA C 30 57.000 59.628 -2.628 1 1 298 . 6 1 1 A 31 31 ASP N N 30 119.400 119.871 -0.471 1 1 299 . 6 1 1 A 32 32 TYR H H 31 8.100 8.064 0.036 1 1 300 . 6 1 1 A 32 32 TYR HA H 31 4.520 4.434 0.086 1 1 307 . 6 1 1 A 32 32 TYR CA C 31 58.200 56.680 1.520 1 1 308 . 6 1 1 A 32 32 TYR N N 31 122.100 118.473 3.627 1 1 309 . 6 1 1 A 33 33 ILE HA H 32 4.070 4.278 -0.208 1 1 316 . 6 1 1 A 33 33 ILE CA C 32 58.200 61.028 -2.828 1 1 317 . 6 1 1 A 34 34 ASP H H 33 8.130 8.111 0.019 1 1 318 . 6 1 1 A 34 34 ASP HA H 33 4.380 3.745 0.635 1 1 321 . 6 1 1 A 34 34 ASP CA C 33 57.300 64.451 -7.151 1 1 322 . 6 1 1 A 34 34 ASP CB C 33 40.600 36.806 3.794 1 1 323 . 6 1 1 A 34 34 ASP N N 33 118.100 120.109 -2.009 1 1 324 . 6 1 1 A 35 35 ASN H H 34 7.790 8.109 -0.319 1 1 325 . 6 1 1 A 35 35 ASN HA H 34 4.520 4.282 0.238 1 1 330 . 6 1 1 A 35 35 ASN CA C 34 55.300 57.508 -2.208 1 1 331 . 6 1 1 A 35 35 ASN CB C 34 39.800 40.287 -0.487 1 1 332 . 6 1 1 A 35 35 ASN N N 34 115.600 121.485 -5.885 1 1 333 . 6 1 1 A 36 36 LEU HA H 35 3.750 4.362 -0.612 1 1 343 . 6 1 1 A 36 36 LEU CA C 35 56.300 56.772 -0.472 1 1 344 . 6 1 1 A 37 37 LEU HA H 36 4.280 3.987 0.293 1 1 354 . 6 1 1 A 37 37 LEU CA C 36 55.800 57.937 -2.137 1 1 355 . 6 1 1 A 37 37 LEU CB C 36 42.300 41.986 0.314 1 1 356 . 6 1 1 A 38 38 VAL H H 37 7.500 7.431 0.069 1 1 357 . 6 1 1 A 38 38 VAL HA H 37 4.070 4.531 -0.461 1 1 365 . 6 1 1 A 38 38 VAL CA C 37 62.800 53.914 8.886 1 1 366 . 6 1 1 A 38 38 VAL CB C 37 33.600 41.495 -7.895 1 1 367 . 6 1 1 A 38 38 VAL N N 37 115.900 113.045 2.855 1 1 368 . 6 1 1 A 39 39 ARG H H 38 7.920 7.966 -0.046 1 1 369 . 6 1 1 A 39 39 ARG HA H 38 4.360 4.531 -0.171 1 1 376 . 6 1 1 A 39 39 ARG CA C 38 60.500 60.021 0.479 1 1 377 . 6 1 1 A 39 39 ARG N N 38 121.300 119.243 2.057 1 1 378 . 6 1 1 A 40 40 VAL H H 39 8.000 8.400 -0.400 1 1 379 . 6 1 1 A 40 40 VAL HA H 39 4.180 4.497 -0.317 1 1 387 . 6 1 1 A 40 40 VAL CA C 39 62.600 56.098 6.502 1 1 388 . 6 1 1 A 40 40 VAL CB C 39 32.600 30.820 1.780 1 1 389 . 6 1 1 A 40 40 VAL N N 39 119.000 125.009 -6.009 1 1 390 . 6 1 1 A 41 41 MET H H 40 7.990 8.580 -0.590 1 1 391 . 6 1 1 A 41 41 MET HA H 40 4.550 4.631 -0.081 1 1 399 . 6 1 1 A 41 41 MET CA C 40 56.900 60.871 -3.971 1 1 400 . 6 1 1 A 41 41 MET CB C 40 33.700 33.053 0.647 1 1 6 . 7 1 1 A 3 3 LEU H H 2 8.530 8.646 -0.116 1 1 7 . 7 1 1 A 3 3 LEU HA H 2 4.700 4.531 0.169 1 1 17 . 7 1 1 A 3 3 LEU CA C 2 54.700 58.512 -3.812 1 1 18 . 7 1 1 A 3 3 LEU CB C 2 43.000 63.890 -20.890 1 1 19 . 7 1 1 A 3 3 LEU N N 2 123.300 122.042 1.258 1 1 20 . 7 1 1 A 4 4 THR H H 3 9.520 7.619 1.901 1 1 21 . 7 1 1 A 4 4 THR HA H 3 4.830 4.424 0.406 1 1 26 . 7 1 1 A 4 4 THR CA C 3 61.300 54.151 7.149 1 1 27 . 7 1 1 A 4 4 THR CB C 3 71.100 41.094 30.006 1 1 28 . 7 1 1 A 4 4 THR N N 3 116.200 120.592 -4.392 1 1 29 . 7 1 1 A 5 5 TYR H H 4 9.380 7.922 1.458 1 1 30 . 7 1 1 A 5 5 TYR HA H 4 4.120 4.740 -0.620 1 1 37 . 7 1 1 A 5 5 TYR CA C 4 62.300 60.849 1.451 1 1 38 . 7 1 1 A 5 5 TYR CB C 4 38.600 71.767 -33.167 1 1 39 . 7 1 1 A 5 5 TYR N N 4 121.600 112.551 9.049 1 1 40 . 7 1 1 A 6 6 GLU H H 5 9.000 9.146 -0.146 1 1 41 . 7 1 1 A 6 6 GLU HA H 5 3.900 4.181 -0.281 1 1 46 . 7 1 1 A 6 6 GLU CA C 5 60.500 62.235 -1.735 1 1 47 . 7 1 1 A 6 6 GLU CB C 5 28.700 39.042 -10.342 1 1 48 . 7 1 1 A 6 6 GLU N N 5 115.500 122.136 -6.636 1 1 49 . 7 1 1 A 7 7 GLU H H 6 7.920 8.381 -0.461 1 1 50 . 7 1 1 A 7 7 GLU HA H 6 4.060 4.203 -0.143 1 1 55 . 7 1 1 A 7 7 GLU CA C 6 59.200 58.351 0.849 1 1 56 . 7 1 1 A 7 7 GLU CB C 6 30.400 29.239 1.161 1 1 57 . 7 1 1 A 7 7 GLU N N 6 118.900 118.744 0.156 1 1 58 . 7 1 1 A 8 8 VAL H H 7 8.590 8.609 -0.019 1 1 59 . 7 1 1 A 8 8 VAL HA H 7 3.640 4.138 -0.498 1 1 67 . 7 1 1 A 8 8 VAL CA C 7 66.400 58.702 7.698 1 1 68 . 7 1 1 A 8 8 VAL CB C 7 30.800 29.746 1.054 1 1 69 . 7 1 1 A 8 8 VAL N N 7 119.300 120.265 -0.965 1 1 70 . 7 1 1 A 9 9 LEU H H 8 8.230 7.570 0.660 1 1 71 . 7 1 1 A 9 9 LEU HA H 8 3.870 3.858 0.012 1 1 81 . 7 1 1 A 9 9 LEU CA C 8 58.500 65.013 -6.513 1 1 82 . 7 1 1 A 9 9 LEU CB C 8 41.100 31.422 9.678 1 1 83 . 7 1 1 A 9 9 LEU N N 8 120.600 119.607 0.993 1 1 84 . 7 1 1 A 10 10 GLN H H 9 7.910 7.644 0.266 1 1 85 . 7 1 1 A 10 10 GLN HA H 9 4.090 3.766 0.324 1 1 92 . 7 1 1 A 10 10 GLN CA C 9 58.500 58.248 0.252 1 1 93 . 7 1 1 A 10 10 GLN CB C 9 27.900 41.483 -13.583 1 1 94 . 7 1 1 A 10 10 GLN N N 9 117.200 121.196 -3.996 1 1 96 . 7 1 1 A 11 11 GLU H H 10 8.200 8.059 0.141 1 1 97 . 7 1 1 A 11 11 GLU HA H 10 4.210 4.133 0.077 1 1 102 . 7 1 1 A 11 11 GLU CA C 10 58.700 58.710 -0.010 1 1 103 . 7 1 1 A 11 11 GLU CB C 10 29.600 28.558 1.042 1 1 104 . 7 1 1 A 11 11 GLU N N 11 120.200 120.301 -0.101 1 1 105 . 7 1 1 A 12 12 LEU HA H 11 3.910 3.975 -0.065 1 1 115 . 7 1 1 A 12 12 LEU CA C 11 58.900 59.306 -0.406 1 1 116 . 7 1 1 A 12 12 LEU CB C 11 40.900 28.861 12.039 1 1 117 . 7 1 1 A 12 12 LEU N N 11 124.600 120.301 4.299 1 1 118 . 7 1 1 A 13 13 VAL H H 12 8.180 7.972 0.208 1 1 119 . 7 1 1 A 13 13 VAL HA H 12 3.500 4.134 -0.634 1 1 121 . 7 1 1 A 13 13 VAL CA C 12 67.300 58.412 8.888 1 1 122 . 7 1 1 A 13 13 VAL CB C 12 31.500 41.993 -10.493 1 1 123 . 7 1 1 A 13 13 VAL N N 12 120.300 122.824 -2.524 1 1 124 . 7 1 1 A 14 14 LYS H H 13 8.020 7.813 0.207 1 1 125 . 7 1 1 A 14 14 LYS HA H 13 4.080 3.660 0.420 1 1 132 . 7 1 1 A 14 14 LYS CA C 13 59.200 65.289 -6.089 1 1 133 . 7 1 1 A 14 14 LYS CB C 13 31.500 31.453 0.047 1 1 134 . 7 1 1 A 14 14 LYS N N 13 118.700 118.792 -0.092 1 1 135 . 7 1 1 A 15 15 HIS H H 14 8.580 7.520 1.060 1 1 136 . 7 1 1 A 15 15 HIS HA H 14 4.120 3.960 0.160 1 1 141 . 7 1 1 A 15 15 HIS CA C 14 61.900 59.237 2.663 1 1 142 . 7 1 1 A 15 15 HIS CB C 14 32.000 32.381 -0.381 1 1 143 . 7 1 1 A 15 15 HIS N N 14 117.800 120.999 -3.199 1 1 144 . 7 1 1 A 16 16 LYS H H 15 8.670 7.676 0.994 1 1 145 . 7 1 1 A 16 16 LYS HA H 15 4.220 4.270 -0.050 1 1 154 . 7 1 1 A 16 16 LYS N N 15 120.300 118.615 1.685 1 1 155 . 7 1 1 A 17 17 GLU H H 16 7.910 7.990 -0.080 1 1 156 . 7 1 1 A 17 17 GLU HA H 16 4.160 3.881 0.279 1 1 159 . 7 1 1 A 17 17 GLU N N 16 120.000 118.683 1.317 1 1 160 . 7 1 1 A 18 18 LEU H H 17 8.370 8.379 -0.009 1 1 161 . 7 1 1 A 18 18 LEU HA H 17 4.670 4.099 0.571 1 1 171 . 7 1 1 A 18 18 LEU CB C 17 37.300 29.287 8.013 1 1 172 . 7 1 1 A 18 18 LEU N N 17 121.200 120.057 1.143 1 1 173 . 7 1 1 A 19 19 LEU H H 18 8.450 8.271 0.179 1 1 174 . 7 1 1 A 19 19 LEU HA H 18 3.880 3.916 -0.036 1 1 184 . 7 1 1 A 19 19 LEU N N 18 119.300 120.461 -1.161 1 1 185 . 7 1 1 A 20 20 ARG H H 19 7.620 8.154 -0.534 1 1 186 . 7 1 1 A 20 20 ARG HA H 19 4.240 3.928 0.312 1 1 193 . 7 1 1 A 20 20 ARG CA C 19 59.300 57.942 1.358 1 1 194 . 7 1 1 A 20 20 ARG CB C 19 29.800 41.288 -11.488 1 1 195 . 7 1 1 A 20 20 ARG N N 19 117.900 118.167 -0.267 1 1 196 . 7 1 1 A 21 21 ARG H H 20 8.000 8.382 -0.382 1 1 197 . 7 1 1 A 21 21 ARG HA H 20 4.120 3.973 0.147 1 1 204 . 7 1 1 A 21 21 ARG CA C 20 59.200 59.807 -0.607 1 1 205 . 7 1 1 A 21 21 ARG CB C 20 29.400 30.119 -0.719 1 1 206 . 7 1 1 A 21 21 ARG N N 20 118.300 119.461 -1.161 1 1 207 . 7 1 1 A 22 22 LYS H H 21 8.600 7.735 0.865 1 1 208 . 7 1 1 A 22 22 LYS HA H 21 4.210 3.999 0.211 1 1 217 . 7 1 1 A 22 22 LYS CA C 21 59.000 58.968 0.032 1 1 218 . 7 1 1 A 22 22 LYS CB C 21 29.400 30.072 -0.672 1 1 219 . 7 1 1 A 22 22 LYS N N 21 120.900 119.736 1.164 1 1 220 . 7 1 1 A 23 23 ASP H H 22 8.560 7.798 0.762 1 1 221 . 7 1 1 A 23 23 ASP HA H 22 4.650 4.114 0.536 1 1 224 . 7 1 1 A 23 23 ASP CA C 22 57.300 59.664 -2.364 1 1 225 . 7 1 1 A 23 23 ASP CB C 22 40.200 32.217 7.983 1 1 226 . 7 1 1 A 23 23 ASP N N 22 119.500 119.097 0.403 1 1 227 . 7 1 1 A 24 24 THR H H 23 8.240 7.822 0.418 1 1 228 . 7 1 1 A 24 24 THR HA H 23 4.380 4.473 -0.093 1 1 233 . 7 1 1 A 24 24 THR CA C 23 66.600 56.229 10.371 1 1 234 . 7 1 1 A 24 24 THR CB C 23 68.400 41.032 27.368 1 1 235 . 7 1 1 A 24 24 THR N N 23 117.800 119.707 -1.907 1 1 236 . 7 1 1 A 25 25 HIS H H 24 7.970 7.614 0.356 1 1 237 . 7 1 1 A 25 25 HIS HA H 24 4.600 4.222 0.378 1 1 241 . 7 1 1 A 25 25 HIS CA C 24 57.000 64.305 -7.305 1 1 242 . 7 1 1 A 25 25 HIS CB C 24 32.000 69.212 -37.212 1 1 243 . 7 1 1 A 25 25 HIS N N 24 122.100 114.730 7.370 1 1 244 . 7 1 1 A 26 26 ILE H H 25 8.760 8.039 0.721 1 1 245 . 7 1 1 A 26 26 ILE HA H 25 4.020 4.613 -0.593 1 1 252 . 7 1 1 A 26 26 ILE CA C 25 61.300 59.562 1.738 1 1 253 . 7 1 1 A 26 26 ILE CB C 25 37.900 30.355 7.545 1 1 254 . 7 1 1 A 26 26 ILE N N 25 119.100 120.843 -1.743 1 1 255 . 7 1 1 A 27 27 ARG H H 26 7.820 7.677 0.143 1 1 256 . 7 1 1 A 27 27 ARG HA H 26 4.210 3.902 0.308 1 1 263 . 7 1 1 A 27 27 ARG CA C 26 58.700 64.180 -5.480 1 1 264 . 7 1 1 A 27 27 ARG CB C 26 29.400 37.435 -8.035 1 1 265 . 7 1 1 A 27 27 ARG N N 26 118.300 116.424 1.876 1 1 266 . 7 1 1 A 28 28 GLU H H 27 8.020 7.996 0.024 1 1 267 . 7 1 1 A 28 28 GLU HA H 27 4.140 4.035 0.105 1 1 272 . 7 1 1 A 28 28 GLU CA C 27 60.500 58.909 1.591 1 1 273 . 7 1 1 A 28 28 GLU N N 27 118.600 121.445 -2.845 1 1 274 . 7 1 1 A 29 29 LEU H H 28 8.370 8.134 0.236 1 1 275 . 7 1 1 A 29 29 LEU HA H 28 4.250 3.946 0.304 1 1 285 . 7 1 1 A 29 29 LEU N N 28 121.200 117.652 3.548 1 1 286 . 7 1 1 A 30 30 GLU H H 29 8.910 8.215 0.695 1 1 287 . 7 1 1 A 30 30 GLU HA H 29 4.180 4.423 -0.243 1 1 290 . 7 1 1 A 30 30 GLU CA C 29 60.100 57.027 3.073 1 1 291 . 7 1 1 A 30 30 GLU CB C 29 29.200 41.380 -12.180 1 1 292 . 7 1 1 A 30 30 GLU N N 29 119.000 120.682 -1.682 1 1 293 . 7 1 1 A 31 31 ASP H H 30 8.580 8.199 0.381 1 1 294 . 7 1 1 A 31 31 ASP HA H 30 4.420 4.034 0.386 1 1 297 . 7 1 1 A 31 31 ASP CA C 30 57.000 59.807 -2.807 1 1 298 . 7 1 1 A 31 31 ASP N N 30 119.400 119.416 -0.016 1 1 299 . 7 1 1 A 32 32 TYR H H 31 8.100 8.019 0.081 1 1 300 . 7 1 1 A 32 32 TYR HA H 31 4.520 4.355 0.165 1 1 307 . 7 1 1 A 32 32 TYR CA C 31 58.200 56.827 1.373 1 1 308 . 7 1 1 A 32 32 TYR N N 31 122.100 119.760 2.340 1 1 309 . 7 1 1 A 33 33 ILE HA H 32 4.070 4.292 -0.222 1 1 316 . 7 1 1 A 33 33 ILE CA C 32 58.200 61.022 -2.822 1 1 317 . 7 1 1 A 34 34 ASP H H 33 8.130 7.934 0.196 1 1 318 . 7 1 1 A 34 34 ASP HA H 33 4.380 3.823 0.557 1 1 321 . 7 1 1 A 34 34 ASP CA C 33 57.300 64.442 -7.142 1 1 322 . 7 1 1 A 34 34 ASP CB C 33 40.600 37.517 3.083 1 1 323 . 7 1 1 A 34 34 ASP N N 33 118.100 120.171 -2.071 1 1 324 . 7 1 1 A 35 35 ASN H H 34 7.790 8.108 -0.318 1 1 325 . 7 1 1 A 35 35 ASN HA H 34 4.520 4.289 0.231 1 1 330 . 7 1 1 A 35 35 ASN CA C 34 55.300 57.757 -2.457 1 1 331 . 7 1 1 A 35 35 ASN CB C 34 39.800 40.685 -0.885 1 1 332 . 7 1 1 A 35 35 ASN N N 34 115.600 121.313 -5.713 1 1 333 . 7 1 1 A 36 36 LEU HA H 35 3.750 4.386 -0.636 1 1 343 . 7 1 1 A 36 36 LEU CA C 35 56.300 56.781 -0.481 1 1 344 . 7 1 1 A 37 37 LEU HA H 36 4.280 4.028 0.252 1 1 354 . 7 1 1 A 37 37 LEU CA C 36 55.800 57.921 -2.121 1 1 355 . 7 1 1 A 37 37 LEU CB C 36 42.300 41.857 0.443 1 1 356 . 7 1 1 A 38 38 VAL H H 37 7.500 7.426 0.074 1 1 357 . 7 1 1 A 38 38 VAL HA H 37 4.070 4.565 -0.495 1 1 365 . 7 1 1 A 38 38 VAL CA C 37 62.800 53.899 8.901 1 1 366 . 7 1 1 A 38 38 VAL CB C 37 33.600 41.494 -7.894 1 1 367 . 7 1 1 A 38 38 VAL N N 37 115.900 113.020 2.880 1 1 368 . 7 1 1 A 39 39 ARG H H 38 7.920 7.973 -0.053 1 1 369 . 7 1 1 A 39 39 ARG HA H 38 4.360 4.556 -0.196 1 1 376 . 7 1 1 A 39 39 ARG CA C 38 60.500 59.968 0.532 1 1 377 . 7 1 1 A 39 39 ARG N N 38 121.300 119.327 1.973 1 1 378 . 7 1 1 A 40 40 VAL H H 39 8.000 8.456 -0.456 1 1 379 . 7 1 1 A 40 40 VAL HA H 39 4.180 4.485 -0.305 1 1 387 . 7 1 1 A 40 40 VAL CA C 39 62.600 55.670 6.930 1 1 388 . 7 1 1 A 40 40 VAL CB C 39 32.600 30.648 1.952 1 1 389 . 7 1 1 A 40 40 VAL N N 39 119.000 125.233 -6.233 1 1 390 . 7 1 1 A 41 41 MET H H 40 7.990 7.849 0.141 1 1 391 . 7 1 1 A 41 41 MET HA H 40 4.550 4.137 0.413 1 1 399 . 7 1 1 A 41 41 MET CA C 40 56.900 61.618 -4.718 1 1 400 . 7 1 1 A 41 41 MET CB C 40 33.700 32.800 0.900 1 1 6 . 8 1 1 A 3 3 LEU H H 2 8.530 8.396 0.134 1 1 7 . 8 1 1 A 3 3 LEU HA H 2 4.700 4.663 0.037 1 1 17 . 8 1 1 A 3 3 LEU CA C 2 54.700 57.997 -3.297 1 1 18 . 8 1 1 A 3 3 LEU CB C 2 43.000 63.322 -20.322 1 1 19 . 8 1 1 A 3 3 LEU N N 2 123.300 120.983 2.317 1 1 20 . 8 1 1 A 4 4 THR H H 3 9.520 7.687 1.833 1 1 21 . 8 1 1 A 4 4 THR HA H 3 4.830 4.597 0.233 1 1 26 . 8 1 1 A 4 4 THR CA C 3 61.300 54.102 7.198 1 1 27 . 8 1 1 A 4 4 THR CB C 3 71.100 41.596 29.504 1 1 28 . 8 1 1 A 4 4 THR N N 3 116.200 122.589 -6.389 1 1 29 . 8 1 1 A 5 5 TYR H H 4 9.380 7.720 1.660 1 1 30 . 8 1 1 A 5 5 TYR HA H 4 4.120 4.728 -0.608 1 1 37 . 8 1 1 A 5 5 TYR CA C 4 62.300 60.555 1.745 1 1 38 . 8 1 1 A 5 5 TYR CB C 4 38.600 71.238 -32.638 1 1 39 . 8 1 1 A 5 5 TYR N N 4 121.600 110.687 10.913 1 1 40 . 8 1 1 A 6 6 GLU H H 5 9.000 9.059 -0.059 1 1 41 . 8 1 1 A 6 6 GLU HA H 5 3.900 4.197 -0.297 1 1 46 . 8 1 1 A 6 6 GLU CA C 5 60.500 61.663 -1.163 1 1 47 . 8 1 1 A 6 6 GLU CB C 5 28.700 38.950 -10.250 1 1 48 . 8 1 1 A 6 6 GLU N N 5 115.500 122.190 -6.690 1 1 49 . 8 1 1 A 7 7 GLU H H 6 7.920 8.373 -0.453 1 1 50 . 8 1 1 A 7 7 GLU HA H 6 4.060 4.125 -0.065 1 1 55 . 8 1 1 A 7 7 GLU CA C 6 59.200 58.251 0.949 1 1 56 . 8 1 1 A 7 7 GLU CB C 6 30.400 29.273 1.127 1 1 57 . 8 1 1 A 7 7 GLU N N 6 118.900 119.196 -0.296 1 1 58 . 8 1 1 A 8 8 VAL H H 7 8.590 8.110 0.480 1 1 59 . 8 1 1 A 8 8 VAL HA H 7 3.640 4.263 -0.623 1 1 67 . 8 1 1 A 8 8 VAL CA C 7 66.400 58.055 8.345 1 1 68 . 8 1 1 A 8 8 VAL CB C 7 30.800 29.962 0.838 1 1 69 . 8 1 1 A 8 8 VAL N N 7 119.300 119.917 -0.617 1 1 70 . 8 1 1 A 9 9 LEU H H 8 8.230 7.461 0.769 1 1 71 . 8 1 1 A 9 9 LEU HA H 8 3.870 4.059 -0.189 1 1 81 . 8 1 1 A 9 9 LEU CA C 8 58.500 65.022 -6.522 1 1 82 . 8 1 1 A 9 9 LEU CB C 8 41.100 31.326 9.774 1 1 83 . 8 1 1 A 9 9 LEU N N 8 120.600 119.502 1.098 1 1 84 . 8 1 1 A 10 10 GLN H H 9 7.910 7.569 0.341 1 1 85 . 8 1 1 A 10 10 GLN HA H 9 4.090 3.740 0.350 1 1 92 . 8 1 1 A 10 10 GLN CA C 9 58.500 57.984 0.516 1 1 93 . 8 1 1 A 10 10 GLN CB C 9 27.900 41.011 -13.111 1 1 94 . 8 1 1 A 10 10 GLN N N 9 117.200 120.821 -3.621 1 1 96 . 8 1 1 A 11 11 GLU H H 10 8.200 7.934 0.266 1 1 97 . 8 1 1 A 11 11 GLU HA H 10 4.210 4.129 0.081 1 1 102 . 8 1 1 A 11 11 GLU CA C 10 58.700 58.665 0.035 1 1 103 . 8 1 1 A 11 11 GLU CB C 10 29.600 28.676 0.924 1 1 104 . 8 1 1 A 11 11 GLU N N 11 120.200 120.227 -0.027 1 1 105 . 8 1 1 A 12 12 LEU HA H 11 3.910 4.129 -0.219 1 1 115 . 8 1 1 A 12 12 LEU CA C 11 58.900 59.213 -0.313 1 1 116 . 8 1 1 A 12 12 LEU CB C 11 40.900 29.469 11.431 1 1 117 . 8 1 1 A 12 12 LEU N N 11 124.600 120.227 4.373 1 1 118 . 8 1 1 A 13 13 VAL H H 12 8.180 8.056 0.124 1 1 119 . 8 1 1 A 13 13 VAL HA H 12 3.500 4.009 -0.509 1 1 121 . 8 1 1 A 13 13 VAL CA C 12 67.300 58.421 8.879 1 1 122 . 8 1 1 A 13 13 VAL CB C 12 31.500 42.033 -10.533 1 1 123 . 8 1 1 A 13 13 VAL N N 12 120.300 122.453 -2.153 1 1 124 . 8 1 1 A 14 14 LYS H H 13 8.020 7.953 0.067 1 1 125 . 8 1 1 A 14 14 LYS HA H 13 4.080 3.669 0.411 1 1 132 . 8 1 1 A 14 14 LYS CA C 13 59.200 65.341 -6.141 1 1 133 . 8 1 1 A 14 14 LYS CB C 13 31.500 31.361 0.139 1 1 134 . 8 1 1 A 14 14 LYS N N 13 118.700 118.421 0.279 1 1 135 . 8 1 1 A 15 15 HIS H H 14 8.580 7.670 0.910 1 1 136 . 8 1 1 A 15 15 HIS HA H 14 4.120 4.044 0.076 1 1 141 . 8 1 1 A 15 15 HIS CA C 14 61.900 59.020 2.880 1 1 142 . 8 1 1 A 15 15 HIS CB C 14 32.000 32.423 -0.423 1 1 143 . 8 1 1 A 15 15 HIS N N 14 117.800 121.007 -3.207 1 1 144 . 8 1 1 A 16 16 LYS H H 15 8.670 7.683 0.987 1 1 145 . 8 1 1 A 16 16 LYS HA H 15 4.220 4.390 -0.170 1 1 154 . 8 1 1 A 16 16 LYS N N 15 120.300 119.038 1.262 1 1 155 . 8 1 1 A 17 17 GLU H H 16 7.910 8.095 -0.185 1 1 156 . 8 1 1 A 17 17 GLU HA H 16 4.160 4.057 0.103 1 1 159 . 8 1 1 A 17 17 GLU N N 16 120.000 119.579 0.421 1 1 160 . 8 1 1 A 18 18 LEU H H 17 8.370 8.452 -0.082 1 1 161 . 8 1 1 A 18 18 LEU HA H 17 4.670 4.078 0.592 1 1 171 . 8 1 1 A 18 18 LEU CB C 17 37.300 29.379 7.921 1 1 172 . 8 1 1 A 18 18 LEU N N 17 121.200 120.207 0.993 1 1 173 . 8 1 1 A 19 19 LEU H H 18 8.450 8.182 0.268 1 1 174 . 8 1 1 A 19 19 LEU HA H 18 3.880 3.909 -0.029 1 1 184 . 8 1 1 A 19 19 LEU N N 18 119.300 119.993 -0.693 1 1 185 . 8 1 1 A 20 20 ARG H H 19 7.620 7.849 -0.229 1 1 186 . 8 1 1 A 20 20 ARG HA H 19 4.240 3.878 0.362 1 1 193 . 8 1 1 A 20 20 ARG CA C 19 59.300 57.874 1.426 1 1 194 . 8 1 1 A 20 20 ARG CB C 19 29.800 41.009 -11.209 1 1 195 . 8 1 1 A 20 20 ARG N N 19 117.900 118.257 -0.357 1 1 196 . 8 1 1 A 21 21 ARG H H 20 8.000 8.433 -0.433 1 1 197 . 8 1 1 A 21 21 ARG HA H 20 4.120 3.961 0.159 1 1 204 . 8 1 1 A 21 21 ARG CA C 20 59.200 59.765 -0.565 1 1 205 . 8 1 1 A 21 21 ARG CB C 20 29.400 30.138 -0.738 1 1 206 . 8 1 1 A 21 21 ARG N N 20 118.300 119.255 -0.955 1 1 207 . 8 1 1 A 22 22 LYS H H 21 8.600 7.723 0.877 1 1 208 . 8 1 1 A 22 22 LYS HA H 21 4.210 4.007 0.203 1 1 217 . 8 1 1 A 22 22 LYS CA C 21 59.000 58.960 0.040 1 1 218 . 8 1 1 A 22 22 LYS CB C 21 29.400 30.050 -0.650 1 1 219 . 8 1 1 A 22 22 LYS N N 21 120.900 119.725 1.175 1 1 220 . 8 1 1 A 23 23 ASP H H 22 8.560 8.077 0.483 1 1 221 . 8 1 1 A 23 23 ASP HA H 22 4.650 4.023 0.627 1 1 224 . 8 1 1 A 23 23 ASP CA C 22 57.300 59.593 -2.293 1 1 225 . 8 1 1 A 23 23 ASP CB C 22 40.200 32.334 7.866 1 1 226 . 8 1 1 A 23 23 ASP N N 22 119.500 119.082 0.418 1 1 227 . 8 1 1 A 24 24 THR H H 23 8.240 8.259 -0.019 1 1 228 . 8 1 1 A 24 24 THR HA H 23 4.380 4.440 -0.060 1 1 233 . 8 1 1 A 24 24 THR CA C 23 66.600 56.726 9.874 1 1 234 . 8 1 1 A 24 24 THR CB C 23 68.400 40.438 27.962 1 1 235 . 8 1 1 A 24 24 THR N N 23 117.800 119.602 -1.802 1 1 236 . 8 1 1 A 25 25 HIS H H 24 7.970 7.997 -0.027 1 1 237 . 8 1 1 A 25 25 HIS HA H 24 4.600 3.884 0.716 1 1 241 . 8 1 1 A 25 25 HIS CA C 24 57.000 67.076 -10.076 1 1 242 . 8 1 1 A 25 25 HIS CB C 24 32.000 68.555 -36.555 1 1 243 . 8 1 1 A 25 25 HIS N N 24 122.100 117.646 4.454 1 1 244 . 8 1 1 A 26 26 ILE H H 25 8.760 8.552 0.208 1 1 245 . 8 1 1 A 26 26 ILE HA H 25 4.020 4.149 -0.129 1 1 252 . 8 1 1 A 26 26 ILE CA C 25 61.300 59.668 1.632 1 1 253 . 8 1 1 A 26 26 ILE CB C 25 37.900 30.079 7.821 1 1 254 . 8 1 1 A 26 26 ILE N N 25 119.100 119.119 -0.019 1 1 255 . 8 1 1 A 27 27 ARG H H 26 7.820 7.491 0.329 1 1 256 . 8 1 1 A 27 27 ARG HA H 26 4.210 3.724 0.486 1 1 263 . 8 1 1 A 27 27 ARG CA C 26 58.700 64.557 -5.857 1 1 264 . 8 1 1 A 27 27 ARG CB C 26 29.400 37.717 -8.317 1 1 265 . 8 1 1 A 27 27 ARG N N 26 118.300 116.587 1.713 1 1 266 . 8 1 1 A 28 28 GLU H H 27 8.020 8.373 -0.353 1 1 267 . 8 1 1 A 28 28 GLU HA H 27 4.140 4.149 -0.009 1 1 272 . 8 1 1 A 28 28 GLU CA C 27 60.500 58.620 1.880 1 1 273 . 8 1 1 A 28 28 GLU N N 27 118.600 121.025 -2.425 1 1 274 . 8 1 1 A 29 29 LEU H H 28 8.370 8.244 0.126 1 1 275 . 8 1 1 A 29 29 LEU HA H 28 4.250 4.136 0.114 1 1 285 . 8 1 1 A 29 29 LEU N N 28 121.200 120.130 1.070 1 1 286 . 8 1 1 A 30 30 GLU H H 29 8.910 8.655 0.255 1 1 287 . 8 1 1 A 30 30 GLU HA H 29 4.180 4.346 -0.166 1 1 290 . 8 1 1 A 30 30 GLU CA C 29 60.100 55.468 4.632 1 1 291 . 8 1 1 A 30 30 GLU CB C 29 29.200 41.964 -12.764 1 1 292 . 8 1 1 A 30 30 GLU N N 29 119.000 119.808 -0.808 1 1 293 . 8 1 1 A 31 31 ASP H H 30 8.580 7.799 0.781 1 1 294 . 8 1 1 A 31 31 ASP HA H 30 4.420 4.119 0.301 1 1 297 . 8 1 1 A 31 31 ASP CA C 30 57.000 59.256 -2.256 1 1 298 . 8 1 1 A 31 31 ASP N N 30 119.400 118.994 0.406 1 1 299 . 8 1 1 A 32 32 TYR H H 31 8.100 8.068 0.032 1 1 300 . 8 1 1 A 32 32 TYR HA H 31 4.520 4.342 0.178 1 1 307 . 8 1 1 A 32 32 TYR CA C 31 58.200 57.119 1.081 1 1 308 . 8 1 1 A 32 32 TYR N N 31 122.100 120.017 2.083 1 1 309 . 8 1 1 A 33 33 ILE HA H 32 4.070 4.320 -0.250 1 1 316 . 8 1 1 A 33 33 ILE CA C 32 58.200 60.978 -2.778 1 1 317 . 8 1 1 A 34 34 ASP H H 33 8.130 8.186 -0.056 1 1 318 . 8 1 1 A 34 34 ASP HA H 33 4.380 3.651 0.729 1 1 321 . 8 1 1 A 34 34 ASP CA C 33 57.300 64.948 -7.648 1 1 322 . 8 1 1 A 34 34 ASP CB C 33 40.600 37.712 2.888 1 1 323 . 8 1 1 A 34 34 ASP N N 33 118.100 120.305 -2.205 1 1 324 . 8 1 1 A 35 35 ASN H H 34 7.790 8.312 -0.522 1 1 325 . 8 1 1 A 35 35 ASN HA H 34 4.520 4.298 0.222 1 1 330 . 8 1 1 A 35 35 ASN CA C 34 55.300 57.406 -2.106 1 1 331 . 8 1 1 A 35 35 ASN CB C 34 39.800 40.298 -0.498 1 1 332 . 8 1 1 A 35 35 ASN N N 34 115.600 121.402 -5.802 1 1 333 . 8 1 1 A 36 36 LEU HA H 35 3.750 4.356 -0.606 1 1 343 . 8 1 1 A 36 36 LEU CA C 35 56.300 56.714 -0.414 1 1 344 . 8 1 1 A 37 37 LEU HA H 36 4.280 3.964 0.316 1 1 354 . 8 1 1 A 37 37 LEU CA C 36 55.800 57.909 -2.109 1 1 355 . 8 1 1 A 37 37 LEU CB C 36 42.300 41.970 0.330 1 1 356 . 8 1 1 A 38 38 VAL H H 37 7.500 7.466 0.034 1 1 357 . 8 1 1 A 38 38 VAL HA H 37 4.070 4.554 -0.484 1 1 365 . 8 1 1 A 38 38 VAL CA C 37 62.800 53.912 8.888 1 1 366 . 8 1 1 A 38 38 VAL CB C 37 33.600 41.495 -7.895 1 1 367 . 8 1 1 A 38 38 VAL N N 37 115.900 113.040 2.860 1 1 368 . 8 1 1 A 39 39 ARG H H 38 7.920 7.962 -0.042 1 1 369 . 8 1 1 A 39 39 ARG HA H 38 4.360 4.486 -0.126 1 1 376 . 8 1 1 A 39 39 ARG CA C 38 60.500 60.136 0.364 1 1 377 . 8 1 1 A 39 39 ARG N N 38 121.300 119.483 1.817 1 1 378 . 8 1 1 A 40 40 VAL H H 39 8.000 8.395 -0.395 1 1 379 . 8 1 1 A 40 40 VAL HA H 39 4.180 4.494 -0.314 1 1 387 . 8 1 1 A 40 40 VAL CA C 39 62.600 56.106 6.494 1 1 388 . 8 1 1 A 40 40 VAL CB C 39 32.600 30.776 1.824 1 1 389 . 8 1 1 A 40 40 VAL N N 39 119.000 124.716 -5.716 1 1 390 . 8 1 1 A 41 41 MET H H 40 7.990 8.567 -0.577 1 1 391 . 8 1 1 A 41 41 MET HA H 40 4.550 4.579 -0.029 1 1 399 . 8 1 1 A 41 41 MET CA C 40 56.900 61.034 -4.134 1 1 400 . 8 1 1 A 41 41 MET CB C 40 33.700 33.148 0.552 1 1 6 . 9 1 1 A 3 3 LEU H H 2 8.530 8.231 0.299 1 1 7 . 9 1 1 A 3 3 LEU HA H 2 4.700 4.475 0.225 1 1 17 . 9 1 1 A 3 3 LEU CA C 2 54.700 60.628 -5.928 1 1 18 . 9 1 1 A 3 3 LEU CB C 2 43.000 63.877 -20.877 1 1 19 . 9 1 1 A 3 3 LEU N N 2 123.300 118.613 4.687 1 1 20 . 9 1 1 A 4 4 THR H H 3 9.520 7.651 1.869 1 1 21 . 9 1 1 A 4 4 THR HA H 3 4.830 4.502 0.328 1 1 26 . 9 1 1 A 4 4 THR CA C 3 61.300 54.647 6.653 1 1 27 . 9 1 1 A 4 4 THR CB C 3 71.100 40.651 30.449 1 1 28 . 9 1 1 A 4 4 THR N N 3 116.200 116.276 -0.076 1 1 29 . 9 1 1 A 5 5 TYR H H 4 9.380 8.732 0.648 1 1 30 . 9 1 1 A 5 5 TYR HA H 4 4.120 4.775 -0.655 1 1 37 . 9 1 1 A 5 5 TYR CA C 4 62.300 60.852 1.448 1 1 38 . 9 1 1 A 5 5 TYR CB C 4 38.600 71.637 -33.037 1 1 39 . 9 1 1 A 5 5 TYR N N 4 121.600 111.948 9.652 1 1 40 . 9 1 1 A 6 6 GLU H H 5 9.000 8.961 0.039 1 1 41 . 9 1 1 A 6 6 GLU HA H 5 3.900 4.226 -0.326 1 1 46 . 9 1 1 A 6 6 GLU CA C 5 60.500 61.073 -0.573 1 1 47 . 9 1 1 A 6 6 GLU CB C 5 28.700 38.671 -9.971 1 1 48 . 9 1 1 A 6 6 GLU N N 5 115.500 121.881 -6.381 1 1 49 . 9 1 1 A 7 7 GLU H H 6 7.920 8.625 -0.705 1 1 50 . 9 1 1 A 7 7 GLU HA H 6 4.060 4.170 -0.110 1 1 55 . 9 1 1 A 7 7 GLU CA C 6 59.200 58.400 0.800 1 1 56 . 9 1 1 A 7 7 GLU CB C 6 30.400 29.082 1.318 1 1 57 . 9 1 1 A 7 7 GLU N N 6 118.900 118.066 0.834 1 1 58 . 9 1 1 A 8 8 VAL H H 7 8.590 7.976 0.614 1 1 59 . 9 1 1 A 8 8 VAL HA H 7 3.640 4.222 -0.582 1 1 67 . 9 1 1 A 8 8 VAL CA C 7 66.400 58.546 7.854 1 1 68 . 9 1 1 A 8 8 VAL CB C 7 30.800 29.820 0.980 1 1 69 . 9 1 1 A 8 8 VAL N N 7 119.300 120.518 -1.218 1 1 70 . 9 1 1 A 9 9 LEU H H 8 8.230 7.510 0.720 1 1 71 . 9 1 1 A 9 9 LEU HA H 8 3.870 3.895 -0.025 1 1 81 . 9 1 1 A 9 9 LEU CA C 8 58.500 65.147 -6.647 1 1 82 . 9 1 1 A 9 9 LEU CB C 8 41.100 31.445 9.655 1 1 83 . 9 1 1 A 9 9 LEU N N 8 120.600 119.264 1.336 1 1 84 . 9 1 1 A 10 10 GLN H H 9 7.910 7.802 0.108 1 1 85 . 9 1 1 A 10 10 GLN HA H 9 4.090 3.832 0.258 1 1 92 . 9 1 1 A 10 10 GLN CA C 9 58.500 58.370 0.130 1 1 93 . 9 1 1 A 10 10 GLN CB C 9 27.900 41.587 -13.687 1 1 94 . 9 1 1 A 10 10 GLN N N 9 117.200 121.172 -3.972 1 1 96 . 9 1 1 A 11 11 GLU H H 10 8.200 8.143 0.057 1 1 97 . 9 1 1 A 11 11 GLU HA H 10 4.210 4.115 0.095 1 1 102 . 9 1 1 A 11 11 GLU CA C 10 58.700 59.049 -0.349 1 1 103 . 9 1 1 A 11 11 GLU CB C 10 29.600 28.555 1.045 1 1 104 . 9 1 1 A 11 11 GLU N N 11 120.200 120.681 -0.481 1 1 105 . 9 1 1 A 12 12 LEU HA H 11 3.910 4.159 -0.249 1 1 115 . 9 1 1 A 12 12 LEU CA C 11 58.900 58.878 0.022 1 1 116 . 9 1 1 A 12 12 LEU CB C 11 40.900 29.550 11.350 1 1 117 . 9 1 1 A 12 12 LEU N N 11 124.600 120.681 3.919 1 1 118 . 9 1 1 A 13 13 VAL H H 12 8.180 7.970 0.210 1 1 119 . 9 1 1 A 13 13 VAL HA H 12 3.500 4.017 -0.517 1 1 121 . 9 1 1 A 13 13 VAL CA C 12 67.300 58.318 8.982 1 1 122 . 9 1 1 A 13 13 VAL CB C 12 31.500 41.557 -10.057 1 1 123 . 9 1 1 A 13 13 VAL N N 12 120.300 121.574 -1.274 1 1 124 . 9 1 1 A 14 14 LYS H H 13 8.020 7.867 0.153 1 1 125 . 9 1 1 A 14 14 LYS HA H 13 4.080 3.716 0.364 1 1 132 . 9 1 1 A 14 14 LYS CA C 13 59.200 65.782 -6.582 1 1 133 . 9 1 1 A 14 14 LYS CB C 13 31.500 31.855 -0.355 1 1 134 . 9 1 1 A 14 14 LYS N N 13 118.700 118.211 0.489 1 1 135 . 9 1 1 A 15 15 HIS H H 14 8.580 7.745 0.835 1 1 136 . 9 1 1 A 15 15 HIS HA H 14 4.120 4.008 0.112 1 1 141 . 9 1 1 A 15 15 HIS CA C 14 61.900 58.626 3.274 1 1 142 . 9 1 1 A 15 15 HIS CB C 14 32.000 32.347 -0.347 1 1 143 . 9 1 1 A 15 15 HIS N N 14 117.800 120.880 -3.080 1 1 144 . 9 1 1 A 16 16 LYS H H 15 8.670 7.508 1.162 1 1 145 . 9 1 1 A 16 16 LYS HA H 15 4.220 4.354 -0.134 1 1 154 . 9 1 1 A 16 16 LYS N N 15 120.300 118.842 1.458 1 1 155 . 9 1 1 A 17 17 GLU H H 16 7.910 8.175 -0.265 1 1 156 . 9 1 1 A 17 17 GLU HA H 16 4.160 4.011 0.149 1 1 159 . 9 1 1 A 17 17 GLU N N 16 120.000 119.600 0.400 1 1 160 . 9 1 1 A 18 18 LEU H H 17 8.370 8.338 0.032 1 1 161 . 9 1 1 A 18 18 LEU HA H 17 4.670 4.095 0.575 1 1 171 . 9 1 1 A 18 18 LEU CB C 17 37.300 28.673 8.627 1 1 172 . 9 1 1 A 18 18 LEU N N 17 121.200 118.592 2.608 1 1 173 . 9 1 1 A 19 19 LEU H H 18 8.450 8.196 0.254 1 1 174 . 9 1 1 A 19 19 LEU HA H 18 3.880 4.009 -0.129 1 1 184 . 9 1 1 A 19 19 LEU N N 18 119.300 121.628 -2.328 1 1 185 . 9 1 1 A 20 20 ARG H H 19 7.620 7.832 -0.212 1 1 186 . 9 1 1 A 20 20 ARG HA H 19 4.240 3.974 0.266 1 1 193 . 9 1 1 A 20 20 ARG CA C 19 59.300 57.679 1.621 1 1 194 . 9 1 1 A 20 20 ARG CB C 19 29.800 41.265 -11.465 1 1 195 . 9 1 1 A 20 20 ARG N N 19 117.900 118.198 -0.298 1 1 196 . 9 1 1 A 21 21 ARG H H 20 8.000 8.219 -0.219 1 1 197 . 9 1 1 A 21 21 ARG HA H 20 4.120 3.975 0.145 1 1 204 . 9 1 1 A 21 21 ARG CA C 20 59.200 59.865 -0.665 1 1 205 . 9 1 1 A 21 21 ARG CB C 20 29.400 29.987 -0.587 1 1 206 . 9 1 1 A 21 21 ARG N N 20 118.300 119.516 -1.216 1 1 207 . 9 1 1 A 22 22 LYS H H 21 8.600 7.712 0.888 1 1 208 . 9 1 1 A 22 22 LYS HA H 21 4.210 4.010 0.200 1 1 217 . 9 1 1 A 22 22 LYS CA C 21 59.000 58.979 0.021 1 1 218 . 9 1 1 A 22 22 LYS CB C 21 29.400 30.081 -0.681 1 1 219 . 9 1 1 A 22 22 LYS N N 21 120.900 119.829 1.071 1 1 220 . 9 1 1 A 23 23 ASP H H 22 8.560 7.836 0.724 1 1 221 . 9 1 1 A 23 23 ASP HA H 22 4.650 4.061 0.589 1 1 224 . 9 1 1 A 23 23 ASP CA C 22 57.300 59.627 -2.327 1 1 225 . 9 1 1 A 23 23 ASP CB C 22 40.200 32.204 7.996 1 1 226 . 9 1 1 A 23 23 ASP N N 22 119.500 118.848 0.652 1 1 227 . 9 1 1 A 24 24 THR H H 23 8.240 7.835 0.405 1 1 228 . 9 1 1 A 24 24 THR HA H 23 4.380 4.463 -0.083 1 1 233 . 9 1 1 A 24 24 THR CA C 23 66.600 56.229 10.371 1 1 234 . 9 1 1 A 24 24 THR CB C 23 68.400 41.037 27.363 1 1 235 . 9 1 1 A 24 24 THR N N 23 117.800 119.402 -1.602 1 1 236 . 9 1 1 A 25 25 HIS H H 24 7.970 7.631 0.339 1 1 237 . 9 1 1 A 25 25 HIS HA H 24 4.600 4.144 0.456 1 1 241 . 9 1 1 A 25 25 HIS CA C 24 57.000 64.491 -7.491 1 1 242 . 9 1 1 A 25 25 HIS CB C 24 32.000 69.085 -37.085 1 1 243 . 9 1 1 A 25 25 HIS N N 24 122.100 114.523 7.577 1 1 244 . 9 1 1 A 26 26 ILE H H 25 8.760 8.503 0.257 1 1 245 . 9 1 1 A 26 26 ILE HA H 25 4.020 4.395 -0.375 1 1 252 . 9 1 1 A 26 26 ILE CA C 25 61.300 60.114 1.186 1 1 253 . 9 1 1 A 26 26 ILE CB C 25 37.900 29.896 8.004 1 1 254 . 9 1 1 A 26 26 ILE N N 25 119.100 121.023 -1.923 1 1 255 . 9 1 1 A 27 27 ARG H H 26 7.820 7.546 0.274 1 1 256 . 9 1 1 A 27 27 ARG HA H 26 4.210 3.922 0.288 1 1 263 . 9 1 1 A 27 27 ARG CA C 26 58.700 63.938 -5.238 1 1 264 . 9 1 1 A 27 27 ARG CB C 26 29.400 37.415 -8.015 1 1 265 . 9 1 1 A 27 27 ARG N N 26 118.300 116.405 1.895 1 1 266 . 9 1 1 A 28 28 GLU H H 27 8.020 7.963 0.057 1 1 267 . 9 1 1 A 28 28 GLU HA H 27 4.140 4.045 0.095 1 1 272 . 9 1 1 A 28 28 GLU CA C 27 60.500 58.671 1.829 1 1 273 . 9 1 1 A 28 28 GLU N N 27 118.600 121.507 -2.907 1 1 274 . 9 1 1 A 29 29 LEU H H 28 8.370 8.219 0.151 1 1 275 . 9 1 1 A 29 29 LEU HA H 28 4.250 3.879 0.371 1 1 285 . 9 1 1 A 29 29 LEU N N 28 121.200 117.649 3.551 1 1 286 . 9 1 1 A 30 30 GLU H H 29 8.910 8.089 0.821 1 1 287 . 9 1 1 A 30 30 GLU HA H 29 4.180 4.262 -0.082 1 1 290 . 9 1 1 A 30 30 GLU CA C 29 60.100 57.107 2.993 1 1 291 . 9 1 1 A 30 30 GLU CB C 29 29.200 41.731 -12.531 1 1 292 . 9 1 1 A 30 30 GLU N N 29 119.000 121.804 -2.804 1 1 293 . 9 1 1 A 31 31 ASP H H 30 8.580 8.148 0.432 1 1 294 . 9 1 1 A 31 31 ASP HA H 30 4.420 4.015 0.405 1 1 297 . 9 1 1 A 31 31 ASP CA C 30 57.000 59.603 -2.603 1 1 298 . 9 1 1 A 31 31 ASP N N 30 119.400 119.130 0.270 1 1 299 . 9 1 1 A 32 32 TYR H H 31 8.100 7.617 0.483 1 1 300 . 9 1 1 A 32 32 TYR HA H 31 4.520 4.356 0.164 1 1 307 . 9 1 1 A 32 32 TYR CA C 31 58.200 56.688 1.512 1 1 308 . 9 1 1 A 32 32 TYR N N 31 122.100 119.845 2.255 1 1 309 . 9 1 1 A 33 33 ILE HA H 32 4.070 4.291 -0.221 1 1 316 . 9 1 1 A 33 33 ILE CA C 32 58.200 61.088 -2.888 1 1 317 . 9 1 1 A 34 34 ASP H H 33 8.130 7.778 0.352 1 1 318 . 9 1 1 A 34 34 ASP HA H 33 4.380 3.688 0.692 1 1 321 . 9 1 1 A 34 34 ASP CA C 33 57.300 64.529 -7.229 1 1 322 . 9 1 1 A 34 34 ASP CB C 33 40.600 37.088 3.512 1 1 323 . 9 1 1 A 34 34 ASP N N 33 118.100 120.090 -1.990 1 1 324 . 9 1 1 A 35 35 ASN H H 34 7.790 8.122 -0.332 1 1 325 . 9 1 1 A 35 35 ASN HA H 34 4.520 4.296 0.224 1 1 330 . 9 1 1 A 35 35 ASN CA C 34 55.300 57.456 -2.156 1 1 331 . 9 1 1 A 35 35 ASN CB C 34 39.800 40.284 -0.484 1 1 332 . 9 1 1 A 35 35 ASN N N 34 115.600 121.361 -5.761 1 1 333 . 9 1 1 A 36 36 LEU HA H 35 3.750 4.394 -0.644 1 1 343 . 9 1 1 A 36 36 LEU CA C 35 56.300 56.805 -0.505 1 1 344 . 9 1 1 A 37 37 LEU HA H 36 4.280 4.062 0.218 1 1 354 . 9 1 1 A 37 37 LEU CA C 36 55.800 57.932 -2.132 1 1 355 . 9 1 1 A 37 37 LEU CB C 36 42.300 42.009 0.291 1 1 356 . 9 1 1 A 38 38 VAL H H 37 7.500 7.514 -0.014 1 1 357 . 9 1 1 A 38 38 VAL HA H 37 4.070 4.584 -0.514 1 1 365 . 9 1 1 A 38 38 VAL CA C 37 62.800 53.866 8.934 1 1 366 . 9 1 1 A 38 38 VAL CB C 37 33.600 41.599 -7.999 1 1 367 . 9 1 1 A 38 38 VAL N N 37 115.900 112.324 3.576 1 1 368 . 9 1 1 A 39 39 ARG H H 38 7.920 7.941 -0.021 1 1 369 . 9 1 1 A 39 39 ARG HA H 38 4.360 4.541 -0.181 1 1 376 . 9 1 1 A 39 39 ARG CA C 38 60.500 60.010 0.490 1 1 377 . 9 1 1 A 39 39 ARG N N 38 121.300 119.568 1.732 1 1 378 . 9 1 1 A 40 40 VAL H H 39 8.000 8.427 -0.427 1 1 379 . 9 1 1 A 40 40 VAL HA H 39 4.180 4.500 -0.320 1 1 387 . 9 1 1 A 40 40 VAL CA C 39 62.600 55.990 6.610 1 1 388 . 9 1 1 A 40 40 VAL CB C 39 32.600 30.853 1.747 1 1 389 . 9 1 1 A 40 40 VAL N N 39 119.000 125.149 -6.149 1 1 390 . 9 1 1 A 41 41 MET H H 40 7.990 8.588 -0.598 1 1 391 . 9 1 1 A 41 41 MET HA H 40 4.550 4.657 -0.107 1 1 399 . 9 1 1 A 41 41 MET CA C 40 56.900 60.745 -3.845 1 1 400 . 9 1 1 A 41 41 MET CB C 40 33.700 33.101 0.599 1 1 6 . 10 1 1 A 3 3 LEU H H 2 8.530 8.165 0.365 1 1 7 . 10 1 1 A 3 3 LEU HA H 2 4.700 4.615 0.085 1 1 17 . 10 1 1 A 3 3 LEU CA C 2 54.700 59.356 -4.656 1 1 18 . 10 1 1 A 3 3 LEU CB C 2 43.000 64.072 -21.072 1 1 19 . 10 1 1 A 3 3 LEU N N 2 123.300 118.233 5.067 1 1 20 . 10 1 1 A 4 4 THR H H 3 9.520 7.582 1.938 1 1 21 . 10 1 1 A 4 4 THR HA H 3 4.830 4.389 0.441 1 1 26 . 10 1 1 A 4 4 THR CA C 3 61.300 54.465 6.835 1 1 27 . 10 1 1 A 4 4 THR CB C 3 71.100 39.576 31.524 1 1 28 . 10 1 1 A 4 4 THR N N 3 116.200 122.140 -5.940 1 1 29 . 10 1 1 A 5 5 TYR H H 4 9.380 8.404 0.976 1 1 30 . 10 1 1 A 5 5 TYR HA H 4 4.120 4.622 -0.502 1 1 37 . 10 1 1 A 5 5 TYR CA C 4 62.300 60.985 1.315 1 1 38 . 10 1 1 A 5 5 TYR CB C 4 38.600 70.860 -32.260 1 1 39 . 10 1 1 A 5 5 TYR N N 4 121.600 112.602 8.998 1 1 40 . 10 1 1 A 6 6 GLU H H 5 9.000 8.977 0.023 1 1 41 . 10 1 1 A 6 6 GLU HA H 5 3.900 4.115 -0.215 1 1 46 . 10 1 1 A 6 6 GLU CA C 5 60.500 62.395 -1.895 1 1 47 . 10 1 1 A 6 6 GLU CB C 5 28.700 38.965 -10.265 1 1 48 . 10 1 1 A 6 6 GLU N N 5 115.500 121.928 -6.428 1 1 49 . 10 1 1 A 7 7 GLU H H 6 7.920 8.478 -0.558 1 1 50 . 10 1 1 A 7 7 GLU HA H 6 4.060 3.812 0.248 1 1 55 . 10 1 1 A 7 7 GLU CA C 6 59.200 59.768 -0.568 1 1 56 . 10 1 1 A 7 7 GLU CB C 6 30.400 29.308 1.092 1 1 57 . 10 1 1 A 7 7 GLU N N 6 118.900 118.534 0.366 1 1 58 . 10 1 1 A 8 8 VAL H H 7 8.590 7.722 0.868 1 1 59 . 10 1 1 A 8 8 VAL HA H 7 3.640 4.091 -0.451 1 1 67 . 10 1 1 A 8 8 VAL CA C 7 66.400 58.549 7.851 1 1 68 . 10 1 1 A 8 8 VAL CB C 7 30.800 29.890 0.910 1 1 69 . 10 1 1 A 8 8 VAL N N 7 119.300 119.368 -0.068 1 1 70 . 10 1 1 A 9 9 LEU H H 8 8.230 7.917 0.313 1 1 71 . 10 1 1 A 9 9 LEU HA H 8 3.870 3.832 0.038 1 1 81 . 10 1 1 A 9 9 LEU CA C 8 58.500 65.179 -6.679 1 1 82 . 10 1 1 A 9 9 LEU CB C 8 41.100 31.209 9.891 1 1 83 . 10 1 1 A 9 9 LEU N N 8 120.600 119.639 0.961 1 1 84 . 10 1 1 A 10 10 GLN H H 9 7.910 7.833 0.077 1 1 85 . 10 1 1 A 10 10 GLN HA H 9 4.090 3.744 0.346 1 1 92 . 10 1 1 A 10 10 GLN CA C 9 58.500 58.145 0.355 1 1 93 . 10 1 1 A 10 10 GLN CB C 9 27.900 41.388 -13.488 1 1 94 . 10 1 1 A 10 10 GLN N N 9 117.200 121.479 -4.279 1 1 96 . 10 1 1 A 11 11 GLU H H 10 8.200 7.566 0.634 1 1 97 . 10 1 1 A 11 11 GLU HA H 10 4.210 4.115 0.095 1 1 102 . 10 1 1 A 11 11 GLU CA C 10 58.700 58.737 -0.037 1 1 103 . 10 1 1 A 11 11 GLU CB C 10 29.600 28.658 0.942 1 1 104 . 10 1 1 A 11 11 GLU N N 11 120.200 120.155 0.045 1 1 105 . 10 1 1 A 12 12 LEU HA H 11 3.910 3.976 -0.066 1 1 115 . 10 1 1 A 12 12 LEU CA C 11 58.900 59.550 -0.650 1 1 116 . 10 1 1 A 12 12 LEU CB C 11 40.900 28.547 12.353 1 1 117 . 10 1 1 A 12 12 LEU N N 11 124.600 120.155 4.445 1 1 118 . 10 1 1 A 13 13 VAL H H 12 8.180 7.703 0.477 1 1 119 . 10 1 1 A 13 13 VAL HA H 12 3.500 4.127 -0.627 1 1 121 . 10 1 1 A 13 13 VAL CA C 12 67.300 58.324 8.976 1 1 122 . 10 1 1 A 13 13 VAL CB C 12 31.500 41.960 -10.460 1 1 123 . 10 1 1 A 13 13 VAL N N 12 120.300 122.634 -2.334 1 1 124 . 10 1 1 A 14 14 LYS H H 13 8.020 7.878 0.142 1 1 125 . 10 1 1 A 14 14 LYS HA H 13 4.080 3.657 0.423 1 1 132 . 10 1 1 A 14 14 LYS CA C 13 59.200 65.421 -6.221 1 1 133 . 10 1 1 A 14 14 LYS CB C 13 31.500 31.735 -0.235 1 1 134 . 10 1 1 A 14 14 LYS N N 13 118.700 118.535 0.165 1 1 135 . 10 1 1 A 15 15 HIS H H 14 8.580 7.802 0.778 1 1 136 . 10 1 1 A 15 15 HIS HA H 14 4.120 3.992 0.128 1 1 141 . 10 1 1 A 15 15 HIS CA C 14 61.900 59.510 2.390 1 1 142 . 10 1 1 A 15 15 HIS CB C 14 32.000 32.273 -0.273 1 1 143 . 10 1 1 A 15 15 HIS N N 14 117.800 121.164 -3.364 1 1 144 . 10 1 1 A 16 16 LYS H H 15 8.670 7.676 0.994 1 1 145 . 10 1 1 A 16 16 LYS HA H 15 4.220 4.158 0.062 1 1 154 . 10 1 1 A 16 16 LYS N N 15 120.300 118.927 1.373 1 1 155 . 10 1 1 A 17 17 GLU H H 16 7.910 7.957 -0.047 1 1 156 . 10 1 1 A 17 17 GLU HA H 16 4.160 3.857 0.303 1 1 159 . 10 1 1 A 17 17 GLU N N 16 120.000 118.901 1.099 1 1 160 . 10 1 1 A 18 18 LEU H H 17 8.370 8.044 0.326 1 1 161 . 10 1 1 A 18 18 LEU HA H 17 4.670 4.213 0.457 1 1 171 . 10 1 1 A 18 18 LEU CB C 17 37.300 29.466 7.834 1 1 172 . 10 1 1 A 18 18 LEU N N 17 121.200 119.495 1.705 1 1 173 . 10 1 1 A 19 19 LEU H H 18 8.450 8.450 0.000 1 1 174 . 10 1 1 A 19 19 LEU HA H 18 3.880 4.028 -0.148 1 1 184 . 10 1 1 A 19 19 LEU N N 18 119.300 120.306 -1.006 1 1 185 . 10 1 1 A 20 20 ARG H H 19 7.620 8.617 -0.997 1 1 186 . 10 1 1 A 20 20 ARG HA H 19 4.240 3.954 0.286 1 1 193 . 10 1 1 A 20 20 ARG CA C 19 59.300 57.608 1.692 1 1 194 . 10 1 1 A 20 20 ARG CB C 19 29.800 41.072 -11.272 1 1 195 . 10 1 1 A 20 20 ARG N N 19 117.900 119.089 -1.189 1 1 196 . 10 1 1 A 21 21 ARG H H 20 8.000 7.949 0.051 1 1 197 . 10 1 1 A 21 21 ARG HA H 20 4.120 3.987 0.133 1 1 204 . 10 1 1 A 21 21 ARG CA C 20 59.200 59.821 -0.621 1 1 205 . 10 1 1 A 21 21 ARG CB C 20 29.400 30.030 -0.630 1 1 206 . 10 1 1 A 21 21 ARG N N 20 118.300 120.076 -1.776 1 1 207 . 10 1 1 A 22 22 LYS H H 21 8.600 7.940 0.660 1 1 208 . 10 1 1 A 22 22 LYS HA H 21 4.210 3.932 0.278 1 1 217 . 10 1 1 A 22 22 LYS CA C 21 59.000 59.700 -0.700 1 1 218 . 10 1 1 A 22 22 LYS CB C 21 29.400 29.923 -0.523 1 1 219 . 10 1 1 A 22 22 LYS N N 21 120.900 119.724 1.176 1 1 220 . 10 1 1 A 23 23 ASP H H 22 8.560 7.791 0.769 1 1 221 . 10 1 1 A 23 23 ASP HA H 22 4.650 3.986 0.664 1 1 224 . 10 1 1 A 23 23 ASP CA C 22 57.300 59.575 -2.275 1 1 225 . 10 1 1 A 23 23 ASP CB C 22 40.200 32.429 7.771 1 1 226 . 10 1 1 A 23 23 ASP N N 22 119.500 118.123 1.377 1 1 227 . 10 1 1 A 24 24 THR H H 23 8.240 8.150 0.090 1 1 228 . 10 1 1 A 24 24 THR HA H 23 4.380 4.398 -0.018 1 1 233 . 10 1 1 A 24 24 THR CA C 23 66.600 57.161 9.439 1 1 234 . 10 1 1 A 24 24 THR CB C 23 68.400 40.773 27.627 1 1 235 . 10 1 1 A 24 24 THR N N 23 117.800 120.314 -2.514 1 1 236 . 10 1 1 A 25 25 HIS H H 24 7.970 7.958 0.012 1 1 237 . 10 1 1 A 25 25 HIS HA H 24 4.600 4.016 0.584 1 1 241 . 10 1 1 A 25 25 HIS CA C 24 57.000 66.595 -9.595 1 1 242 . 10 1 1 A 25 25 HIS CB C 24 32.000 68.677 -36.677 1 1 243 . 10 1 1 A 25 25 HIS N N 24 122.100 114.612 7.488 1 1 244 . 10 1 1 A 26 26 ILE H H 25 8.760 8.706 0.054 1 1 245 . 10 1 1 A 26 26 ILE HA H 25 4.020 4.388 -0.368 1 1 252 . 10 1 1 A 26 26 ILE CA C 25 61.300 60.176 1.124 1 1 253 . 10 1 1 A 26 26 ILE CB C 25 37.900 30.473 7.427 1 1 254 . 10 1 1 A 26 26 ILE N N 25 119.100 120.996 -1.896 1 1 255 . 10 1 1 A 27 27 ARG H H 26 7.820 7.830 -0.010 1 1 256 . 10 1 1 A 27 27 ARG HA H 26 4.210 3.826 0.384 1 1 263 . 10 1 1 A 27 27 ARG CA C 26 58.700 64.341 -5.641 1 1 264 . 10 1 1 A 27 27 ARG CB C 26 29.400 37.492 -8.092 1 1 265 . 10 1 1 A 27 27 ARG N N 26 118.300 117.808 0.492 1 1 266 . 10 1 1 A 28 28 GLU H H 27 8.020 7.867 0.153 1 1 267 . 10 1 1 A 28 28 GLU HA H 27 4.140 4.122 0.018 1 1 272 . 10 1 1 A 28 28 GLU CA C 27 60.500 58.887 1.613 1 1 273 . 10 1 1 A 28 28 GLU N N 27 118.600 121.091 -2.491 1 1 274 . 10 1 1 A 29 29 LEU H H 28 8.370 8.259 0.111 1 1 275 . 10 1 1 A 29 29 LEU HA H 28 4.250 4.082 0.168 1 1 285 . 10 1 1 A 29 29 LEU N N 28 121.200 120.566 0.634 1 1 286 . 10 1 1 A 30 30 GLU H H 29 8.910 8.673 0.237 1 1 287 . 10 1 1 A 30 30 GLU HA H 29 4.180 4.267 -0.087 1 1 290 . 10 1 1 A 30 30 GLU CA C 29 60.100 57.144 2.956 1 1 291 . 10 1 1 A 30 30 GLU CB C 29 29.200 41.257 -12.057 1 1 292 . 10 1 1 A 30 30 GLU N N 29 119.000 119.977 -0.977 1 1 293 . 10 1 1 A 31 31 ASP H H 30 8.580 8.171 0.409 1 1 294 . 10 1 1 A 31 31 ASP HA H 30 4.420 4.070 0.350 1 1 297 . 10 1 1 A 31 31 ASP CA C 30 57.000 59.606 -2.606 1 1 298 . 10 1 1 A 31 31 ASP N N 30 119.400 119.145 0.255 1 1 299 . 10 1 1 A 32 32 TYR H H 31 8.100 7.858 0.242 1 1 300 . 10 1 1 A 32 32 TYR HA H 31 4.520 4.448 0.072 1 1 307 . 10 1 1 A 32 32 TYR CA C 31 58.200 56.646 1.554 1 1 308 . 10 1 1 A 32 32 TYR N N 31 122.100 119.065 3.035 1 1 309 . 10 1 1 A 33 33 ILE HA H 32 4.070 4.330 -0.260 1 1 316 . 10 1 1 A 33 33 ILE CA C 32 58.200 61.195 -2.995 1 1 317 . 10 1 1 A 34 34 ASP H H 33 8.130 7.367 0.763 1 1 318 . 10 1 1 A 34 34 ASP HA H 33 4.380 3.923 0.457 1 1 321 . 10 1 1 A 34 34 ASP CA C 33 57.300 62.773 -5.473 1 1 322 . 10 1 1 A 34 34 ASP CB C 33 40.600 38.004 2.596 1 1 323 . 10 1 1 A 34 34 ASP N N 33 118.100 120.500 -2.400 1 1 324 . 10 1 1 A 35 35 ASN H H 34 7.790 8.156 -0.366 1 1 325 . 10 1 1 A 35 35 ASN HA H 34 4.520 4.384 0.136 1 1 330 . 10 1 1 A 35 35 ASN CA C 34 55.300 57.810 -2.510 1 1 331 . 10 1 1 A 35 35 ASN CB C 34 39.800 40.161 -0.361 1 1 332 . 10 1 1 A 35 35 ASN N N 34 115.600 121.977 -6.377 1 1 333 . 10 1 1 A 36 36 LEU HA H 35 3.750 4.409 -0.659 1 1 343 . 10 1 1 A 36 36 LEU CA C 35 56.300 56.775 -0.475 1 1 344 . 10 1 1 A 37 37 LEU HA H 36 4.280 4.057 0.223 1 1 354 . 10 1 1 A 37 37 LEU CA C 36 55.800 57.762 -1.962 1 1 355 . 10 1 1 A 37 37 LEU CB C 36 42.300 41.917 0.383 1 1 356 . 10 1 1 A 38 38 VAL H H 37 7.500 7.435 0.065 1 1 357 . 10 1 1 A 38 38 VAL HA H 37 4.070 4.579 -0.509 1 1 365 . 10 1 1 A 38 38 VAL CA C 37 62.800 53.814 8.986 1 1 366 . 10 1 1 A 38 38 VAL CB C 37 33.600 41.643 -8.043 1 1 367 . 10 1 1 A 38 38 VAL N N 37 115.900 112.416 3.484 1 1 368 . 10 1 1 A 39 39 ARG H H 38 7.920 7.973 -0.053 1 1 369 . 10 1 1 A 39 39 ARG HA H 38 4.360 4.517 -0.157 1 1 376 . 10 1 1 A 39 39 ARG CA C 38 60.500 60.041 0.459 1 1 377 . 10 1 1 A 39 39 ARG N N 38 121.300 119.491 1.809 1 1 378 . 10 1 1 A 40 40 VAL H H 39 8.000 8.415 -0.415 1 1 379 . 10 1 1 A 40 40 VAL HA H 39 4.180 4.500 -0.320 1 1 387 . 10 1 1 A 40 40 VAL CA C 39 62.600 56.186 6.414 1 1 388 . 10 1 1 A 40 40 VAL CB C 39 32.600 30.696 1.904 1 1 389 . 10 1 1 A 40 40 VAL N N 39 119.000 124.797 -5.797 1 1 390 . 10 1 1 A 41 41 MET H H 40 7.990 8.585 -0.595 1 1 391 . 10 1 1 A 41 41 MET HA H 40 4.550 4.648 -0.098 1 1 399 . 10 1 1 A 41 41 MET CA C 40 56.900 60.737 -3.837 1 1 400 . 10 1 1 A 41 41 MET CB C 40 33.700 32.951 0.749 1 1 6 . 11 1 1 A 3 3 LEU H H 2 8.530 8.536 -0.006 1 1 7 . 11 1 1 A 3 3 LEU HA H 2 4.700 4.592 0.108 1 1 17 . 11 1 1 A 3 3 LEU CA C 2 54.700 58.509 -3.809 1 1 18 . 11 1 1 A 3 3 LEU CB C 2 43.000 64.158 -21.158 1 1 19 . 11 1 1 A 3 3 LEU N N 2 123.300 121.979 1.321 1 1 20 . 11 1 1 A 4 4 THR H H 3 9.520 7.609 1.911 1 1 21 . 11 1 1 A 4 4 THR HA H 3 4.830 4.421 0.409 1 1 26 . 11 1 1 A 4 4 THR CA C 3 61.300 54.352 6.948 1 1 27 . 11 1 1 A 4 4 THR CB C 3 71.100 40.413 30.687 1 1 28 . 11 1 1 A 4 4 THR N N 3 116.200 122.027 -5.827 1 1 29 . 11 1 1 A 5 5 TYR H H 4 9.380 8.295 1.085 1 1 30 . 11 1 1 A 5 5 TYR HA H 4 4.120 4.850 -0.730 1 1 37 . 11 1 1 A 5 5 TYR CA C 4 62.300 60.026 2.274 1 1 38 . 11 1 1 A 5 5 TYR CB C 4 38.600 70.889 -32.289 1 1 39 . 11 1 1 A 5 5 TYR N N 4 121.600 114.294 7.306 1 1 40 . 11 1 1 A 6 6 GLU H H 5 9.000 9.076 -0.076 1 1 41 . 11 1 1 A 6 6 GLU HA H 5 3.900 4.165 -0.265 1 1 46 . 11 1 1 A 6 6 GLU CA C 5 60.500 62.367 -1.867 1 1 47 . 11 1 1 A 6 6 GLU CB C 5 28.700 39.289 -10.589 1 1 48 . 11 1 1 A 6 6 GLU N N 5 115.500 121.481 -5.981 1 1 49 . 11 1 1 A 7 7 GLU H H 6 7.920 8.291 -0.371 1 1 50 . 11 1 1 A 7 7 GLU HA H 6 4.060 4.093 -0.033 1 1 55 . 11 1 1 A 7 7 GLU CA C 6 59.200 58.493 0.707 1 1 56 . 11 1 1 A 7 7 GLU CB C 6 30.400 29.116 1.284 1 1 57 . 11 1 1 A 7 7 GLU N N 6 118.900 118.731 0.169 1 1 58 . 11 1 1 A 8 8 VAL H H 7 8.590 8.523 0.067 1 1 59 . 11 1 1 A 8 8 VAL HA H 7 3.640 4.095 -0.455 1 1 67 . 11 1 1 A 8 8 VAL CA C 7 66.400 58.770 7.630 1 1 68 . 11 1 1 A 8 8 VAL CB C 7 30.800 29.523 1.277 1 1 69 . 11 1 1 A 8 8 VAL N N 7 119.300 120.451 -1.151 1 1 70 . 11 1 1 A 9 9 LEU H H 8 8.230 7.596 0.634 1 1 71 . 11 1 1 A 9 9 LEU HA H 8 3.870 4.027 -0.157 1 1 81 . 11 1 1 A 9 9 LEU CA C 8 58.500 65.008 -6.508 1 1 82 . 11 1 1 A 9 9 LEU CB C 8 41.100 31.390 9.710 1 1 83 . 11 1 1 A 9 9 LEU N N 8 120.600 119.324 1.276 1 1 84 . 11 1 1 A 10 10 GLN H H 9 7.910 7.759 0.151 1 1 85 . 11 1 1 A 10 10 GLN HA H 9 4.090 3.760 0.330 1 1 92 . 11 1 1 A 10 10 GLN CA C 9 58.500 58.226 0.274 1 1 93 . 11 1 1 A 10 10 GLN CB C 9 27.900 41.471 -13.571 1 1 94 . 11 1 1 A 10 10 GLN N N 9 117.200 121.472 -4.272 1 1 96 . 11 1 1 A 11 11 GLU H H 10 8.200 7.570 0.630 1 1 97 . 11 1 1 A 11 11 GLU HA H 10 4.210 4.144 0.066 1 1 102 . 11 1 1 A 11 11 GLU CA C 10 58.700 58.717 -0.017 1 1 103 . 11 1 1 A 11 11 GLU CB C 10 29.600 28.652 0.948 1 1 104 . 11 1 1 A 11 11 GLU N N 11 120.200 119.679 0.521 1 1 105 . 11 1 1 A 12 12 LEU HA H 11 3.910 4.176 -0.266 1 1 115 . 11 1 1 A 12 12 LEU CA C 11 58.900 59.357 -0.457 1 1 116 . 11 1 1 A 12 12 LEU CB C 11 40.900 29.042 11.858 1 1 117 . 11 1 1 A 12 12 LEU N N 11 124.600 119.679 4.921 1 1 118 . 11 1 1 A 13 13 VAL H H 12 8.180 7.776 0.404 1 1 119 . 11 1 1 A 13 13 VAL HA H 12 3.500 4.004 -0.504 1 1 121 . 11 1 1 A 13 13 VAL CA C 12 67.300 57.958 9.342 1 1 122 . 11 1 1 A 13 13 VAL CB C 12 31.500 41.888 -10.388 1 1 123 . 11 1 1 A 13 13 VAL N N 12 120.300 122.640 -2.340 1 1 124 . 11 1 1 A 14 14 LYS H H 13 8.020 7.691 0.329 1 1 125 . 11 1 1 A 14 14 LYS HA H 13 4.080 3.909 0.171 1 1 132 . 11 1 1 A 14 14 LYS CA C 13 59.200 64.415 -5.215 1 1 133 . 11 1 1 A 14 14 LYS CB C 13 31.500 31.595 -0.095 1 1 134 . 11 1 1 A 14 14 LYS N N 13 118.700 118.376 0.324 1 1 135 . 11 1 1 A 15 15 HIS H H 14 8.580 7.997 0.583 1 1 136 . 11 1 1 A 15 15 HIS HA H 14 4.120 4.069 0.051 1 1 141 . 11 1 1 A 15 15 HIS CA C 14 61.900 58.990 2.910 1 1 142 . 11 1 1 A 15 15 HIS CB C 14 32.000 32.566 -0.566 1 1 143 . 11 1 1 A 15 15 HIS N N 14 117.800 121.801 -4.001 1 1 144 . 11 1 1 A 16 16 LYS H H 15 8.670 8.041 0.629 1 1 145 . 11 1 1 A 16 16 LYS HA H 15 4.220 4.314 -0.094 1 1 154 . 11 1 1 A 16 16 LYS N N 15 120.300 118.058 2.242 1 1 155 . 11 1 1 A 17 17 GLU H H 16 7.910 8.186 -0.276 1 1 156 . 11 1 1 A 17 17 GLU HA H 16 4.160 3.947 0.213 1 1 159 . 11 1 1 A 17 17 GLU N N 16 120.000 120.087 -0.087 1 1 160 . 11 1 1 A 18 18 LEU H H 17 8.370 7.754 0.616 1 1 161 . 11 1 1 A 18 18 LEU HA H 17 4.670 4.213 0.457 1 1 171 . 11 1 1 A 18 18 LEU CB C 17 37.300 29.342 7.958 1 1 172 . 11 1 1 A 18 18 LEU N N 17 121.200 119.959 1.241 1 1 173 . 11 1 1 A 19 19 LEU H H 18 8.450 8.355 0.095 1 1 174 . 11 1 1 A 19 19 LEU HA H 18 3.880 4.031 -0.151 1 1 184 . 11 1 1 A 19 19 LEU N N 18 119.300 120.430 -1.130 1 1 185 . 11 1 1 A 20 20 ARG H H 19 7.620 7.911 -0.291 1 1 186 . 11 1 1 A 20 20 ARG HA H 19 4.240 3.909 0.331 1 1 193 . 11 1 1 A 20 20 ARG CA C 19 59.300 57.671 1.629 1 1 194 . 11 1 1 A 20 20 ARG CB C 19 29.800 40.799 -10.999 1 1 195 . 11 1 1 A 20 20 ARG N N 19 117.900 118.464 -0.564 1 1 196 . 11 1 1 A 21 21 ARG H H 20 8.000 7.708 0.292 1 1 197 . 11 1 1 A 21 21 ARG HA H 20 4.120 3.955 0.165 1 1 204 . 11 1 1 A 21 21 ARG CA C 20 59.200 59.775 -0.575 1 1 205 . 11 1 1 A 21 21 ARG CB C 20 29.400 29.946 -0.546 1 1 206 . 11 1 1 A 21 21 ARG N N 20 118.300 120.073 -1.773 1 1 207 . 11 1 1 A 22 22 LYS H H 21 8.600 7.840 0.760 1 1 208 . 11 1 1 A 22 22 LYS HA H 21 4.210 4.062 0.148 1 1 217 . 11 1 1 A 22 22 LYS CA C 21 59.000 59.545 -0.545 1 1 218 . 11 1 1 A 22 22 LYS CB C 21 29.400 29.984 -0.584 1 1 219 . 11 1 1 A 22 22 LYS N N 21 120.900 118.334 2.566 1 1 220 . 11 1 1 A 23 23 ASP H H 22 8.560 7.742 0.818 1 1 221 . 11 1 1 A 23 23 ASP HA H 22 4.650 4.091 0.559 1 1 224 . 11 1 1 A 23 23 ASP CA C 22 57.300 58.434 -1.134 1 1 225 . 11 1 1 A 23 23 ASP CB C 22 40.200 32.125 8.075 1 1 226 . 11 1 1 A 23 23 ASP N N 22 119.500 119.528 -0.028 1 1 227 . 11 1 1 A 24 24 THR H H 23 8.240 8.275 -0.035 1 1 228 . 11 1 1 A 24 24 THR HA H 23 4.380 4.604 -0.224 1 1 233 . 11 1 1 A 24 24 THR CA C 23 66.600 56.206 10.394 1 1 234 . 11 1 1 A 24 24 THR CB C 23 68.400 41.080 27.320 1 1 235 . 11 1 1 A 24 24 THR N N 23 117.800 117.886 -0.086 1 1 236 . 11 1 1 A 25 25 HIS H H 24 7.970 7.629 0.341 1 1 237 . 11 1 1 A 25 25 HIS HA H 24 4.600 4.135 0.465 1 1 241 . 11 1 1 A 25 25 HIS CA C 24 57.000 64.473 -7.473 1 1 242 . 11 1 1 A 25 25 HIS CB C 24 32.000 69.080 -37.080 1 1 243 . 11 1 1 A 25 25 HIS N N 24 122.100 114.907 7.193 1 1 244 . 11 1 1 A 26 26 ILE H H 25 8.760 8.657 0.103 1 1 245 . 11 1 1 A 26 26 ILE HA H 25 4.020 4.420 -0.400 1 1 252 . 11 1 1 A 26 26 ILE CA C 25 61.300 60.330 0.970 1 1 253 . 11 1 1 A 26 26 ILE CB C 25 37.900 30.064 7.836 1 1 254 . 11 1 1 A 26 26 ILE N N 25 119.100 121.159 -2.059 1 1 255 . 11 1 1 A 27 27 ARG H H 26 7.820 7.884 -0.064 1 1 256 . 11 1 1 A 27 27 ARG HA H 26 4.210 3.889 0.321 1 1 263 . 11 1 1 A 27 27 ARG CA C 26 58.700 64.368 -5.668 1 1 264 . 11 1 1 A 27 27 ARG CB C 26 29.400 37.418 -8.018 1 1 265 . 11 1 1 A 27 27 ARG N N 26 118.300 116.158 2.142 1 1 266 . 11 1 1 A 28 28 GLU H H 27 8.020 7.892 0.128 1 1 267 . 11 1 1 A 28 28 GLU HA H 27 4.140 4.098 0.042 1 1 272 . 11 1 1 A 28 28 GLU CA C 27 60.500 58.717 1.783 1 1 273 . 11 1 1 A 28 28 GLU N N 27 118.600 121.350 -2.750 1 1 274 . 11 1 1 A 29 29 LEU H H 28 8.370 8.395 -0.025 1 1 275 . 11 1 1 A 29 29 LEU HA H 28 4.250 4.041 0.209 1 1 285 . 11 1 1 A 29 29 LEU N N 28 121.200 117.731 3.469 1 1 286 . 11 1 1 A 30 30 GLU H H 29 8.910 8.119 0.791 1 1 287 . 11 1 1 A 30 30 GLU HA H 29 4.180 4.307 -0.127 1 1 290 . 11 1 1 A 30 30 GLU CA C 29 60.100 57.516 2.584 1 1 291 . 11 1 1 A 30 30 GLU CB C 29 29.200 41.424 -12.224 1 1 292 . 11 1 1 A 30 30 GLU N N 29 119.000 122.114 -3.114 1 1 293 . 11 1 1 A 31 31 ASP H H 30 8.580 8.260 0.320 1 1 294 . 11 1 1 A 31 31 ASP HA H 30 4.420 4.095 0.325 1 1 297 . 11 1 1 A 31 31 ASP CA C 30 57.000 59.277 -2.277 1 1 298 . 11 1 1 A 31 31 ASP N N 30 119.400 118.553 0.847 1 1 299 . 11 1 1 A 32 32 TYR H H 31 8.100 7.957 0.143 1 1 300 . 11 1 1 A 32 32 TYR HA H 31 4.520 4.207 0.313 1 1 307 . 11 1 1 A 32 32 TYR CA C 31 58.200 57.405 0.795 1 1 308 . 11 1 1 A 32 32 TYR N N 31 122.100 120.222 1.878 1 1 309 . 11 1 1 A 33 33 ILE HA H 32 4.070 4.312 -0.242 1 1 316 . 11 1 1 A 33 33 ILE CA C 32 58.200 60.991 -2.791 1 1 317 . 11 1 1 A 34 34 ASP H H 33 8.130 8.125 0.005 1 1 318 . 11 1 1 A 34 34 ASP HA H 33 4.380 3.606 0.774 1 1 321 . 11 1 1 A 34 34 ASP CA C 33 57.300 64.985 -7.685 1 1 322 . 11 1 1 A 34 34 ASP CB C 33 40.600 37.701 2.899 1 1 323 . 11 1 1 A 34 34 ASP N N 33 118.100 120.300 -2.200 1 1 324 . 11 1 1 A 35 35 ASN H H 34 7.790 8.810 -1.020 1 1 325 . 11 1 1 A 35 35 ASN HA H 34 4.520 4.320 0.200 1 1 330 . 11 1 1 A 35 35 ASN CA C 34 55.300 57.438 -2.138 1 1 331 . 11 1 1 A 35 35 ASN CB C 34 39.800 40.285 -0.485 1 1 332 . 11 1 1 A 35 35 ASN N N 34 115.600 121.394 -5.794 1 1 333 . 11 1 1 A 36 36 LEU HA H 35 3.750 4.384 -0.634 1 1 343 . 11 1 1 A 36 36 LEU CA C 35 56.300 56.871 -0.571 1 1 344 . 11 1 1 A 37 37 LEU HA H 36 4.280 4.064 0.216 1 1 354 . 11 1 1 A 37 37 LEU CA C 36 55.800 57.771 -1.971 1 1 355 . 11 1 1 A 37 37 LEU CB C 36 42.300 41.939 0.361 1 1 356 . 11 1 1 A 38 38 VAL H H 37 7.500 7.496 0.004 1 1 357 . 11 1 1 A 38 38 VAL HA H 37 4.070 4.575 -0.505 1 1 365 . 11 1 1 A 38 38 VAL CA C 37 62.800 53.861 8.939 1 1 366 . 11 1 1 A 38 38 VAL CB C 37 33.600 41.608 -8.008 1 1 367 . 11 1 1 A 38 38 VAL N N 37 115.900 112.320 3.580 1 1 368 . 11 1 1 A 39 39 ARG H H 38 7.920 7.974 -0.054 1 1 369 . 11 1 1 A 39 39 ARG HA H 38 4.360 4.513 -0.153 1 1 376 . 11 1 1 A 39 39 ARG CA C 38 60.500 60.028 0.472 1 1 377 . 11 1 1 A 39 39 ARG N N 38 121.300 119.236 2.064 1 1 378 . 11 1 1 A 40 40 VAL H H 39 8.000 8.402 -0.402 1 1 379 . 11 1 1 A 40 40 VAL HA H 39 4.180 4.501 -0.321 1 1 387 . 11 1 1 A 40 40 VAL CA C 39 62.600 56.234 6.366 1 1 388 . 11 1 1 A 40 40 VAL CB C 39 32.600 30.735 1.865 1 1 389 . 11 1 1 A 40 40 VAL N N 39 119.000 124.806 -5.806 1 1 390 . 11 1 1 A 41 41 MET H H 40 7.990 8.485 -0.495 1 1 391 . 11 1 1 A 41 41 MET HA H 40 4.550 4.566 -0.016 1 1 399 . 11 1 1 A 41 41 MET CA C 40 56.900 61.086 -4.186 1 1 400 . 11 1 1 A 41 41 MET CB C 40 33.700 32.928 0.772 1 1 6 . 12 1 1 A 3 3 LEU H H 2 8.530 8.182 0.348 1 1 7 . 12 1 1 A 3 3 LEU HA H 2 4.700 4.579 0.121 1 1 17 . 12 1 1 A 3 3 LEU CA C 2 54.700 58.611 -3.911 1 1 18 . 12 1 1 A 3 3 LEU CB C 2 43.000 63.878 -20.878 1 1 19 . 12 1 1 A 3 3 LEU N N 2 123.300 117.525 5.775 1 1 20 . 12 1 1 A 4 4 THR H H 3 9.520 7.977 1.543 1 1 21 . 12 1 1 A 4 4 THR HA H 3 4.830 4.424 0.406 1 1 26 . 12 1 1 A 4 4 THR CA C 3 61.300 54.446 6.854 1 1 27 . 12 1 1 A 4 4 THR CB C 3 71.100 41.468 29.632 1 1 28 . 12 1 1 A 4 4 THR N N 3 116.200 115.428 0.772 1 1 29 . 12 1 1 A 5 5 TYR H H 4 9.380 7.821 1.559 1 1 30 . 12 1 1 A 5 5 TYR HA H 4 4.120 4.764 -0.644 1 1 37 . 12 1 1 A 5 5 TYR CA C 4 62.300 60.541 1.759 1 1 38 . 12 1 1 A 5 5 TYR CB C 4 38.600 70.861 -32.261 1 1 39 . 12 1 1 A 5 5 TYR N N 4 121.600 110.788 10.812 1 1 40 . 12 1 1 A 6 6 GLU H H 5 9.000 9.098 -0.098 1 1 41 . 12 1 1 A 6 6 GLU HA H 5 3.900 4.169 -0.269 1 1 46 . 12 1 1 A 6 6 GLU CA C 5 60.500 62.175 -1.675 1 1 47 . 12 1 1 A 6 6 GLU CB C 5 28.700 39.045 -10.345 1 1 48 . 12 1 1 A 6 6 GLU N N 5 115.500 122.153 -6.653 1 1 49 . 12 1 1 A 7 7 GLU H H 6 7.920 8.428 -0.508 1 1 50 . 12 1 1 A 7 7 GLU HA H 6 4.060 4.181 -0.121 1 1 55 . 12 1 1 A 7 7 GLU CA C 6 59.200 58.374 0.826 1 1 56 . 12 1 1 A 7 7 GLU CB C 6 30.400 29.296 1.104 1 1 57 . 12 1 1 A 7 7 GLU N N 6 118.900 118.722 0.178 1 1 58 . 12 1 1 A 8 8 VAL H H 7 8.590 8.754 -0.164 1 1 59 . 12 1 1 A 8 8 VAL HA H 7 3.640 4.125 -0.485 1 1 67 . 12 1 1 A 8 8 VAL CA C 7 66.400 58.681 7.719 1 1 68 . 12 1 1 A 8 8 VAL CB C 7 30.800 29.715 1.085 1 1 69 . 12 1 1 A 8 8 VAL N N 7 119.300 120.524 -1.224 1 1 70 . 12 1 1 A 9 9 LEU H H 8 8.230 7.548 0.682 1 1 71 . 12 1 1 A 9 9 LEU HA H 8 3.870 3.778 0.092 1 1 81 . 12 1 1 A 9 9 LEU CA C 8 58.500 64.929 -6.429 1 1 82 . 12 1 1 A 9 9 LEU CB C 8 41.100 31.333 9.767 1 1 83 . 12 1 1 A 9 9 LEU N N 8 120.600 119.513 1.087 1 1 84 . 12 1 1 A 10 10 GLN H H 9 7.910 7.647 0.263 1 1 85 . 12 1 1 A 10 10 GLN HA H 9 4.090 3.697 0.393 1 1 92 . 12 1 1 A 10 10 GLN CA C 9 58.500 58.119 0.381 1 1 93 . 12 1 1 A 10 10 GLN CB C 9 27.900 41.465 -13.565 1 1 94 . 12 1 1 A 10 10 GLN N N 9 117.200 120.974 -3.774 1 1 96 . 12 1 1 A 11 11 GLU H H 10 8.200 7.881 0.319 1 1 97 . 12 1 1 A 11 11 GLU HA H 10 4.210 4.132 0.078 1 1 102 . 12 1 1 A 11 11 GLU CA C 10 58.700 58.659 0.041 1 1 103 . 12 1 1 A 11 11 GLU CB C 10 29.600 28.540 1.060 1 1 104 . 12 1 1 A 11 11 GLU N N 11 120.200 120.008 0.192 1 1 105 . 12 1 1 A 12 12 LEU HA H 11 3.910 4.055 -0.145 1 1 115 . 12 1 1 A 12 12 LEU CA C 11 58.900 59.066 -0.166 1 1 116 . 12 1 1 A 12 12 LEU CB C 11 40.900 29.280 11.620 1 1 117 . 12 1 1 A 12 12 LEU N N 11 124.600 120.008 4.592 1 1 118 . 12 1 1 A 13 13 VAL H H 12 8.180 8.109 0.071 1 1 119 . 12 1 1 A 13 13 VAL HA H 12 3.500 3.825 -0.325 1 1 121 . 12 1 1 A 13 13 VAL CA C 12 67.300 58.169 9.131 1 1 122 . 12 1 1 A 13 13 VAL CB C 12 31.500 41.850 -10.350 1 1 123 . 12 1 1 A 13 13 VAL N N 12 120.300 122.520 -2.220 1 1 124 . 12 1 1 A 14 14 LYS H H 13 8.020 7.878 0.142 1 1 125 . 12 1 1 A 14 14 LYS HA H 13 4.080 3.671 0.409 1 1 132 . 12 1 1 A 14 14 LYS CA C 13 59.200 65.293 -6.093 1 1 133 . 12 1 1 A 14 14 LYS CB C 13 31.500 31.344 0.156 1 1 134 . 12 1 1 A 14 14 LYS N N 13 118.700 118.362 0.338 1 1 135 . 12 1 1 A 15 15 HIS H H 14 8.580 7.870 0.710 1 1 136 . 12 1 1 A 15 15 HIS HA H 14 4.120 3.996 0.124 1 1 141 . 12 1 1 A 15 15 HIS CA C 14 61.900 59.282 2.618 1 1 142 . 12 1 1 A 15 15 HIS CB C 14 32.000 32.343 -0.343 1 1 143 . 12 1 1 A 15 15 HIS N N 14 117.800 121.560 -3.760 1 1 144 . 12 1 1 A 16 16 LYS H H 15 8.670 7.678 0.992 1 1 145 . 12 1 1 A 16 16 LYS HA H 15 4.220 4.345 -0.125 1 1 154 . 12 1 1 A 16 16 LYS N N 15 120.300 117.904 2.396 1 1 155 . 12 1 1 A 17 17 GLU H H 16 7.910 8.033 -0.123 1 1 156 . 12 1 1 A 17 17 GLU HA H 16 4.160 4.109 0.051 1 1 159 . 12 1 1 A 17 17 GLU N N 16 120.000 119.676 0.324 1 1 160 . 12 1 1 A 18 18 LEU H H 17 8.370 8.425 -0.055 1 1 161 . 12 1 1 A 18 18 LEU HA H 17 4.670 4.084 0.586 1 1 171 . 12 1 1 A 18 18 LEU CB C 17 37.300 29.375 7.925 1 1 172 . 12 1 1 A 18 18 LEU N N 17 121.200 120.265 0.935 1 1 173 . 12 1 1 A 19 19 LEU H H 18 8.450 8.204 0.246 1 1 174 . 12 1 1 A 19 19 LEU HA H 18 3.880 3.929 -0.049 1 1 184 . 12 1 1 A 19 19 LEU N N 18 119.300 120.171 -0.871 1 1 185 . 12 1 1 A 20 20 ARG H H 19 7.620 8.264 -0.644 1 1 186 . 12 1 1 A 20 20 ARG HA H 19 4.240 3.898 0.342 1 1 193 . 12 1 1 A 20 20 ARG CA C 19 59.300 57.890 1.410 1 1 194 . 12 1 1 A 20 20 ARG CB C 19 29.800 41.081 -11.281 1 1 195 . 12 1 1 A 20 20 ARG N N 19 117.900 118.172 -0.272 1 1 196 . 12 1 1 A 21 21 ARG H H 20 8.000 8.487 -0.487 1 1 197 . 12 1 1 A 21 21 ARG HA H 20 4.120 3.970 0.150 1 1 204 . 12 1 1 A 21 21 ARG CA C 20 59.200 59.819 -0.619 1 1 205 . 12 1 1 A 21 21 ARG CB C 20 29.400 29.995 -0.595 1 1 206 . 12 1 1 A 21 21 ARG N N 20 118.300 119.377 -1.077 1 1 207 . 12 1 1 A 22 22 LYS H H 21 8.600 7.562 1.038 1 1 208 . 12 1 1 A 22 22 LYS HA H 21 4.210 3.985 0.225 1 1 217 . 12 1 1 A 22 22 LYS CA C 21 59.000 58.886 0.114 1 1 218 . 12 1 1 A 22 22 LYS CB C 21 29.400 30.019 -0.619 1 1 219 . 12 1 1 A 22 22 LYS N N 21 120.900 119.821 1.079 1 1 220 . 12 1 1 A 23 23 ASP H H 22 8.560 7.943 0.617 1 1 221 . 12 1 1 A 23 23 ASP HA H 22 4.650 4.107 0.543 1 1 224 . 12 1 1 A 23 23 ASP CA C 22 57.300 59.757 -2.457 1 1 225 . 12 1 1 A 23 23 ASP CB C 22 40.200 32.192 8.008 1 1 226 . 12 1 1 A 23 23 ASP N N 22 119.500 119.034 0.466 1 1 227 . 12 1 1 A 24 24 THR H H 23 8.240 8.249 -0.009 1 1 228 . 12 1 1 A 24 24 THR HA H 23 4.380 4.409 -0.029 1 1 233 . 12 1 1 A 24 24 THR CA C 23 66.600 56.541 10.059 1 1 234 . 12 1 1 A 24 24 THR CB C 23 68.400 40.570 27.830 1 1 235 . 12 1 1 A 24 24 THR N N 23 117.800 120.056 -2.256 1 1 236 . 12 1 1 A 25 25 HIS H H 24 7.970 7.855 0.115 1 1 237 . 12 1 1 A 25 25 HIS HA H 24 4.600 3.896 0.704 1 1 241 . 12 1 1 A 25 25 HIS CA C 24 57.000 67.047 -10.047 1 1 242 . 12 1 1 A 25 25 HIS CB C 24 32.000 68.535 -36.535 1 1 243 . 12 1 1 A 25 25 HIS N N 24 122.100 117.902 4.198 1 1 244 . 12 1 1 A 26 26 ILE H H 25 8.760 8.432 0.328 1 1 245 . 12 1 1 A 26 26 ILE HA H 25 4.020 4.419 -0.399 1 1 252 . 12 1 1 A 26 26 ILE CA C 25 61.300 59.487 1.813 1 1 253 . 12 1 1 A 26 26 ILE CB C 25 37.900 30.024 7.876 1 1 254 . 12 1 1 A 26 26 ILE N N 25 119.100 118.970 0.130 1 1 255 . 12 1 1 A 27 27 ARG H H 26 7.820 7.548 0.272 1 1 256 . 12 1 1 A 27 27 ARG HA H 26 4.210 3.736 0.474 1 1 263 . 12 1 1 A 27 27 ARG CA C 26 58.700 64.567 -5.867 1 1 264 . 12 1 1 A 27 27 ARG CB C 26 29.400 37.711 -8.311 1 1 265 . 12 1 1 A 27 27 ARG N N 26 118.300 116.649 1.651 1 1 266 . 12 1 1 A 28 28 GLU H H 27 8.020 8.391 -0.371 1 1 267 . 12 1 1 A 28 28 GLU HA H 27 4.140 4.073 0.067 1 1 272 . 12 1 1 A 28 28 GLU CA C 27 60.500 58.925 1.575 1 1 273 . 12 1 1 A 28 28 GLU N N 27 118.600 121.020 -2.420 1 1 274 . 12 1 1 A 29 29 LEU H H 28 8.370 8.267 0.103 1 1 275 . 12 1 1 A 29 29 LEU HA H 28 4.250 4.028 0.222 1 1 285 . 12 1 1 A 29 29 LEU N N 28 121.200 118.066 3.134 1 1 286 . 12 1 1 A 30 30 GLU H H 29 8.910 8.710 0.200 1 1 287 . 12 1 1 A 30 30 GLU HA H 29 4.180 4.476 -0.296 1 1 290 . 12 1 1 A 30 30 GLU CA C 29 60.100 56.548 3.552 1 1 291 . 12 1 1 A 30 30 GLU CB C 29 29.200 42.097 -12.897 1 1 292 . 12 1 1 A 30 30 GLU N N 29 119.000 122.031 -3.031 1 1 293 . 12 1 1 A 31 31 ASP H H 30 8.580 8.097 0.483 1 1 294 . 12 1 1 A 31 31 ASP HA H 30 4.420 4.024 0.396 1 1 297 . 12 1 1 A 31 31 ASP CA C 30 57.000 59.591 -2.591 1 1 298 . 12 1 1 A 31 31 ASP N N 30 119.400 119.031 0.369 1 1 299 . 12 1 1 A 32 32 TYR H H 31 8.100 7.614 0.486 1 1 300 . 12 1 1 A 32 32 TYR HA H 31 4.520 4.412 0.108 1 1 307 . 12 1 1 A 32 32 TYR CA C 31 58.200 56.791 1.409 1 1 308 . 12 1 1 A 32 32 TYR N N 31 122.100 119.952 2.148 1 1 309 . 12 1 1 A 33 33 ILE HA H 32 4.070 4.337 -0.267 1 1 316 . 12 1 1 A 33 33 ILE CA C 32 58.200 60.838 -2.638 1 1 317 . 12 1 1 A 34 34 ASP H H 33 8.130 7.733 0.397 1 1 318 . 12 1 1 A 34 34 ASP HA H 33 4.380 3.847 0.533 1 1 321 . 12 1 1 A 34 34 ASP CA C 33 57.300 64.261 -6.961 1 1 322 . 12 1 1 A 34 34 ASP CB C 33 40.600 37.078 3.522 1 1 323 . 12 1 1 A 34 34 ASP N N 33 118.100 120.180 -2.080 1 1 324 . 12 1 1 A 35 35 ASN H H 34 7.790 8.180 -0.390 1 1 325 . 12 1 1 A 35 35 ASN HA H 34 4.520 4.288 0.232 1 1 330 . 12 1 1 A 35 35 ASN CA C 34 55.300 57.449 -2.149 1 1 331 . 12 1 1 A 35 35 ASN CB C 34 39.800 40.285 -0.485 1 1 332 . 12 1 1 A 35 35 ASN N N 34 115.600 121.439 -5.839 1 1 333 . 12 1 1 A 36 36 LEU HA H 35 3.750 4.358 -0.608 1 1 343 . 12 1 1 A 36 36 LEU CA C 35 56.300 56.761 -0.461 1 1 344 . 12 1 1 A 37 37 LEU HA H 36 4.280 3.993 0.287 1 1 354 . 12 1 1 A 37 37 LEU CA C 36 55.800 57.934 -2.134 1 1 355 . 12 1 1 A 37 37 LEU CB C 36 42.300 42.021 0.279 1 1 356 . 12 1 1 A 38 38 VAL H H 37 7.500 7.411 0.089 1 1 357 . 12 1 1 A 38 38 VAL HA H 37 4.070 4.559 -0.489 1 1 365 . 12 1 1 A 38 38 VAL CA C 37 62.800 53.909 8.891 1 1 366 . 12 1 1 A 38 38 VAL CB C 37 33.600 41.422 -7.822 1 1 367 . 12 1 1 A 38 38 VAL N N 37 115.900 113.034 2.866 1 1 368 . 12 1 1 A 39 39 ARG H H 38 7.920 7.946 -0.026 1 1 369 . 12 1 1 A 39 39 ARG HA H 38 4.360 4.550 -0.190 1 1 376 . 12 1 1 A 39 39 ARG CA C 38 60.500 59.992 0.508 1 1 377 . 12 1 1 A 39 39 ARG N N 38 121.300 119.023 2.277 1 1 378 . 12 1 1 A 40 40 VAL H H 39 8.000 8.563 -0.563 1 1 379 . 12 1 1 A 40 40 VAL HA H 39 4.180 4.495 -0.315 1 1 387 . 12 1 1 A 40 40 VAL CA C 39 62.600 55.359 7.241 1 1 388 . 12 1 1 A 40 40 VAL CB C 39 32.600 30.744 1.856 1 1 389 . 12 1 1 A 40 40 VAL N N 39 119.000 125.348 -6.348 1 1 390 . 12 1 1 A 41 41 MET H H 40 7.990 8.329 -0.339 1 1 391 . 12 1 1 A 41 41 MET HA H 40 4.550 4.118 0.432 1 1 399 . 12 1 1 A 41 41 MET CA C 40 56.900 61.810 -4.910 1 1 400 . 12 1 1 A 41 41 MET CB C 40 33.700 32.814 0.886 1 1 6 . 13 1 1 A 3 3 LEU H H 2 8.530 8.553 -0.023 1 1 7 . 13 1 1 A 3 3 LEU HA H 2 4.700 4.583 0.117 1 1 17 . 13 1 1 A 3 3 LEU CA C 2 54.700 58.950 -4.250 1 1 18 . 13 1 1 A 3 3 LEU CB C 2 43.000 64.318 -21.318 1 1 19 . 13 1 1 A 3 3 LEU N N 2 123.300 121.957 1.343 1 1 20 . 13 1 1 A 4 4 THR H H 3 9.520 7.853 1.667 1 1 21 . 13 1 1 A 4 4 THR HA H 3 4.830 4.228 0.602 1 1 26 . 13 1 1 A 4 4 THR CA C 3 61.300 54.716 6.584 1 1 27 . 13 1 1 A 4 4 THR CB C 3 71.100 40.794 30.306 1 1 28 . 13 1 1 A 4 4 THR N N 3 116.200 116.264 -0.064 1 1 29 . 13 1 1 A 5 5 TYR H H 4 9.380 8.416 0.964 1 1 30 . 13 1 1 A 5 5 TYR HA H 4 4.120 4.620 -0.500 1 1 37 . 13 1 1 A 5 5 TYR CA C 4 62.300 60.883 1.417 1 1 38 . 13 1 1 A 5 5 TYR CB C 4 38.600 71.080 -32.480 1 1 39 . 13 1 1 A 5 5 TYR N N 4 121.600 110.275 11.325 1 1 40 . 13 1 1 A 6 6 GLU H H 5 9.000 9.079 -0.079 1 1 41 . 13 1 1 A 6 6 GLU HA H 5 3.900 4.157 -0.257 1 1 46 . 13 1 1 A 6 6 GLU CA C 5 60.500 62.471 -1.971 1 1 47 . 13 1 1 A 6 6 GLU CB C 5 28.700 39.219 -10.519 1 1 48 . 13 1 1 A 6 6 GLU N N 5 115.500 122.142 -6.642 1 1 49 . 13 1 1 A 7 7 GLU H H 6 7.920 8.346 -0.426 1 1 50 . 13 1 1 A 7 7 GLU HA H 6 4.060 3.995 0.065 1 1 55 . 13 1 1 A 7 7 GLU CA C 6 59.200 58.729 0.471 1 1 56 . 13 1 1 A 7 7 GLU CB C 6 30.400 29.113 1.287 1 1 57 . 13 1 1 A 7 7 GLU N N 6 118.900 118.133 0.767 1 1 58 . 13 1 1 A 8 8 VAL H H 7 8.590 8.467 0.123 1 1 59 . 13 1 1 A 8 8 VAL HA H 7 3.640 4.090 -0.450 1 1 67 . 13 1 1 A 8 8 VAL CA C 7 66.400 58.720 7.680 1 1 68 . 13 1 1 A 8 8 VAL CB C 7 30.800 29.511 1.289 1 1 69 . 13 1 1 A 8 8 VAL N N 7 119.300 119.877 -0.577 1 1 70 . 13 1 1 A 9 9 LEU H H 8 8.230 7.591 0.639 1 1 71 . 13 1 1 A 9 9 LEU HA H 8 3.870 4.110 -0.240 1 1 81 . 13 1 1 A 9 9 LEU CA C 8 58.500 64.977 -6.477 1 1 82 . 13 1 1 A 9 9 LEU CB C 8 41.100 31.465 9.635 1 1 83 . 13 1 1 A 9 9 LEU N N 8 120.600 119.369 1.231 1 1 84 . 13 1 1 A 10 10 GLN H H 9 7.910 7.760 0.150 1 1 85 . 13 1 1 A 10 10 GLN HA H 9 4.090 3.794 0.296 1 1 92 . 13 1 1 A 10 10 GLN CA C 9 58.500 58.290 0.210 1 1 93 . 13 1 1 A 10 10 GLN CB C 9 27.900 41.354 -13.454 1 1 94 . 13 1 1 A 10 10 GLN N N 9 117.200 121.911 -4.711 1 1 96 . 13 1 1 A 11 11 GLU H H 10 8.200 7.506 0.694 1 1 97 . 13 1 1 A 11 11 GLU HA H 10 4.210 4.124 0.086 1 1 102 . 13 1 1 A 11 11 GLU CA C 10 58.700 58.762 -0.062 1 1 103 . 13 1 1 A 11 11 GLU CB C 10 29.600 28.456 1.144 1 1 104 . 13 1 1 A 11 11 GLU N N 11 120.200 119.635 0.565 1 1 105 . 13 1 1 A 12 12 LEU HA H 11 3.910 4.047 -0.137 1 1 115 . 13 1 1 A 12 12 LEU CA C 11 58.900 59.307 -0.407 1 1 116 . 13 1 1 A 12 12 LEU CB C 11 40.900 29.143 11.757 1 1 117 . 13 1 1 A 12 12 LEU N N 11 124.600 119.635 4.965 1 1 118 . 13 1 1 A 13 13 VAL H H 12 8.180 7.849 0.331 1 1 119 . 13 1 1 A 13 13 VAL HA H 12 3.500 4.169 -0.669 1 1 121 . 13 1 1 A 13 13 VAL CA C 12 67.300 57.887 9.413 1 1 122 . 13 1 1 A 13 13 VAL CB C 12 31.500 41.852 -10.352 1 1 123 . 13 1 1 A 13 13 VAL N N 12 120.300 122.310 -2.010 1 1 124 . 13 1 1 A 14 14 LYS H H 13 8.020 7.718 0.302 1 1 125 . 13 1 1 A 14 14 LYS HA H 13 4.080 3.906 0.174 1 1 132 . 13 1 1 A 14 14 LYS CA C 13 59.200 64.404 -5.204 1 1 133 . 13 1 1 A 14 14 LYS CB C 13 31.500 31.586 -0.086 1 1 134 . 13 1 1 A 14 14 LYS N N 13 118.700 118.450 0.250 1 1 135 . 13 1 1 A 15 15 HIS H H 14 8.580 7.966 0.614 1 1 136 . 13 1 1 A 15 15 HIS HA H 14 4.120 4.008 0.112 1 1 141 . 13 1 1 A 15 15 HIS CA C 14 61.900 58.920 2.980 1 1 142 . 13 1 1 A 15 15 HIS CB C 14 32.000 32.403 -0.403 1 1 143 . 13 1 1 A 15 15 HIS N N 14 117.800 121.767 -3.967 1 1 144 . 13 1 1 A 16 16 LYS H H 15 8.670 8.055 0.615 1 1 145 . 13 1 1 A 16 16 LYS HA H 15 4.220 4.200 0.020 1 1 154 . 13 1 1 A 16 16 LYS N N 15 120.300 118.656 1.644 1 1 155 . 13 1 1 A 17 17 GLU H H 16 7.910 8.108 -0.198 1 1 156 . 13 1 1 A 17 17 GLU HA H 16 4.160 3.872 0.288 1 1 159 . 13 1 1 A 17 17 GLU N N 16 120.000 119.005 0.995 1 1 160 . 13 1 1 A 18 18 LEU H H 17 8.370 8.075 0.295 1 1 161 . 13 1 1 A 18 18 LEU HA H 17 4.670 4.213 0.457 1 1 171 . 13 1 1 A 18 18 LEU CB C 17 37.300 29.477 7.823 1 1 172 . 13 1 1 A 18 18 LEU N N 17 121.200 119.504 1.696 1 1 173 . 13 1 1 A 19 19 LEU H H 18 8.450 8.278 0.172 1 1 174 . 13 1 1 A 19 19 LEU HA H 18 3.880 4.047 -0.167 1 1 184 . 13 1 1 A 19 19 LEU N N 18 119.300 120.343 -1.043 1 1 185 . 13 1 1 A 20 20 ARG H H 19 7.620 8.399 -0.779 1 1 186 . 13 1 1 A 20 20 ARG HA H 19 4.240 3.940 0.300 1 1 193 . 13 1 1 A 20 20 ARG CA C 19 59.300 57.803 1.497 1 1 194 . 13 1 1 A 20 20 ARG CB C 19 29.800 41.194 -11.394 1 1 195 . 13 1 1 A 20 20 ARG N N 19 117.900 118.331 -0.431 1 1 196 . 13 1 1 A 21 21 ARG H H 20 8.000 7.842 0.158 1 1 197 . 13 1 1 A 21 21 ARG HA H 20 4.120 3.959 0.161 1 1 204 . 13 1 1 A 21 21 ARG CA C 20 59.200 59.766 -0.566 1 1 205 . 13 1 1 A 21 21 ARG CB C 20 29.400 29.797 -0.397 1 1 206 . 13 1 1 A 21 21 ARG N N 20 118.300 119.938 -1.638 1 1 207 . 13 1 1 A 22 22 LYS H H 21 8.600 8.008 0.592 1 1 208 . 13 1 1 A 22 22 LYS HA H 21 4.210 4.017 0.193 1 1 217 . 13 1 1 A 22 22 LYS CA C 21 59.000 59.941 -0.941 1 1 218 . 13 1 1 A 22 22 LYS CB C 21 29.400 30.010 -0.610 1 1 219 . 13 1 1 A 22 22 LYS N N 21 120.900 117.981 2.919 1 1 220 . 13 1 1 A 23 23 ASP H H 22 8.560 7.702 0.858 1 1 221 . 13 1 1 A 23 23 ASP HA H 22 4.650 4.092 0.558 1 1 224 . 13 1 1 A 23 23 ASP CA C 22 57.300 59.709 -2.409 1 1 225 . 13 1 1 A 23 23 ASP CB C 22 40.200 32.225 7.975 1 1 226 . 13 1 1 A 23 23 ASP N N 22 119.500 119.099 0.401 1 1 227 . 13 1 1 A 24 24 THR H H 23 8.240 7.873 0.367 1 1 228 . 13 1 1 A 24 24 THR HA H 23 4.380 4.470 -0.090 1 1 233 . 13 1 1 A 24 24 THR CA C 23 66.600 56.306 10.294 1 1 234 . 13 1 1 A 24 24 THR CB C 23 68.400 40.913 27.487 1 1 235 . 13 1 1 A 24 24 THR N N 23 117.800 119.948 -2.148 1 1 236 . 13 1 1 A 25 25 HIS H H 24 7.970 7.613 0.357 1 1 237 . 13 1 1 A 25 25 HIS HA H 24 4.600 4.155 0.445 1 1 241 . 13 1 1 A 25 25 HIS CA C 24 57.000 64.488 -7.488 1 1 242 . 13 1 1 A 25 25 HIS CB C 24 32.000 69.081 -37.081 1 1 243 . 13 1 1 A 25 25 HIS N N 24 122.100 114.634 7.466 1 1 244 . 13 1 1 A 26 26 ILE H H 25 8.760 8.330 0.430 1 1 245 . 13 1 1 A 26 26 ILE HA H 25 4.020 4.406 -0.386 1 1 252 . 13 1 1 A 26 26 ILE CA C 25 61.300 60.204 1.096 1 1 253 . 13 1 1 A 26 26 ILE CB C 25 37.900 30.548 7.352 1 1 254 . 13 1 1 A 26 26 ILE N N 25 119.100 121.027 -1.927 1 1 255 . 13 1 1 A 27 27 ARG H H 26 7.820 7.791 0.029 1 1 256 . 13 1 1 A 27 27 ARG HA H 26 4.210 3.869 0.341 1 1 263 . 13 1 1 A 27 27 ARG CA C 26 58.700 64.391 -5.691 1 1 264 . 13 1 1 A 27 27 ARG CB C 26 29.400 37.439 -8.039 1 1 265 . 13 1 1 A 27 27 ARG N N 26 118.300 115.990 2.310 1 1 266 . 13 1 1 A 28 28 GLU H H 27 8.020 7.912 0.108 1 1 267 . 13 1 1 A 28 28 GLU HA H 27 4.140 4.148 -0.008 1 1 272 . 13 1 1 A 28 28 GLU CA C 27 60.500 58.688 1.812 1 1 273 . 13 1 1 A 28 28 GLU N N 27 118.600 121.561 -2.961 1 1 274 . 13 1 1 A 29 29 LEU H H 28 8.370 7.985 0.385 1 1 275 . 13 1 1 A 29 29 LEU HA H 28 4.250 4.081 0.169 1 1 285 . 13 1 1 A 29 29 LEU N N 28 121.200 119.953 1.247 1 1 286 . 13 1 1 A 30 30 GLU H H 29 8.910 8.638 0.272 1 1 287 . 13 1 1 A 30 30 GLU HA H 29 4.180 4.310 -0.130 1 1 290 . 13 1 1 A 30 30 GLU CA C 29 60.100 57.344 2.756 1 1 291 . 13 1 1 A 30 30 GLU CB C 29 29.200 41.273 -12.073 1 1 292 . 13 1 1 A 30 30 GLU N N 29 119.000 120.495 -1.495 1 1 293 . 13 1 1 A 31 31 ASP H H 30 8.580 8.225 0.355 1 1 294 . 13 1 1 A 31 31 ASP HA H 30 4.420 4.135 0.285 1 1 297 . 13 1 1 A 31 31 ASP CA C 30 57.000 59.317 -2.317 1 1 298 . 13 1 1 A 31 31 ASP N N 30 119.400 120.089 -0.689 1 1 299 . 13 1 1 A 32 32 TYR H H 31 8.100 8.004 0.096 1 1 300 . 13 1 1 A 32 32 TYR HA H 31 4.520 4.370 0.150 1 1 307 . 13 1 1 A 32 32 TYR CA C 31 58.200 57.167 1.033 1 1 308 . 13 1 1 A 32 32 TYR N N 31 122.100 119.872 2.228 1 1 309 . 13 1 1 A 33 33 ILE HA H 32 4.070 4.266 -0.196 1 1 316 . 13 1 1 A 33 33 ILE CA C 32 58.200 61.283 -3.083 1 1 317 . 13 1 1 A 34 34 ASP H H 33 8.130 7.897 0.233 1 1 318 . 13 1 1 A 34 34 ASP HA H 33 4.380 4.054 0.326 1 1 321 . 13 1 1 A 34 34 ASP CA C 33 57.300 62.415 -5.115 1 1 322 . 13 1 1 A 34 34 ASP CB C 33 40.600 37.574 3.026 1 1 323 . 13 1 1 A 34 34 ASP N N 33 118.100 119.683 -1.583 1 1 324 . 13 1 1 A 35 35 ASN H H 34 7.790 7.887 -0.097 1 1 325 . 13 1 1 A 35 35 ASN HA H 34 4.520 4.416 0.104 1 1 330 . 13 1 1 A 35 35 ASN CA C 34 55.300 57.280 -1.980 1 1 331 . 13 1 1 A 35 35 ASN CB C 34 39.800 40.302 -0.502 1 1 332 . 13 1 1 A 35 35 ASN N N 34 115.600 122.462 -6.862 1 1 333 . 13 1 1 A 36 36 LEU HA H 35 3.750 4.423 -0.673 1 1 343 . 13 1 1 A 36 36 LEU CA C 35 56.300 56.788 -0.488 1 1 344 . 13 1 1 A 37 37 LEU HA H 36 4.280 4.100 0.180 1 1 354 . 13 1 1 A 37 37 LEU CA C 36 55.800 57.469 -1.669 1 1 355 . 13 1 1 A 37 37 LEU CB C 36 42.300 41.998 0.302 1 1 356 . 13 1 1 A 38 38 VAL H H 37 7.500 7.463 0.037 1 1 357 . 13 1 1 A 38 38 VAL HA H 37 4.070 4.591 -0.521 1 1 365 . 13 1 1 A 38 38 VAL CA C 37 62.800 53.849 8.951 1 1 366 . 13 1 1 A 38 38 VAL CB C 37 33.600 41.644 -8.044 1 1 367 . 13 1 1 A 38 38 VAL N N 37 115.900 112.306 3.594 1 1 368 . 13 1 1 A 39 39 ARG H H 38 7.920 7.970 -0.050 1 1 369 . 13 1 1 A 39 39 ARG HA H 38 4.360 4.567 -0.207 1 1 376 . 13 1 1 A 39 39 ARG CA C 38 60.500 60.032 0.468 1 1 377 . 13 1 1 A 39 39 ARG N N 38 121.300 119.234 2.066 1 1 378 . 13 1 1 A 40 40 VAL H H 39 8.000 8.402 -0.402 1 1 379 . 13 1 1 A 40 40 VAL HA H 39 4.180 4.436 -0.256 1 1 387 . 13 1 1 A 40 40 VAL CA C 39 62.600 56.440 6.160 1 1 388 . 13 1 1 A 40 40 VAL CB C 39 32.600 30.559 2.041 1 1 389 . 13 1 1 A 40 40 VAL N N 39 119.000 125.071 -6.071 1 1 390 . 13 1 1 A 41 41 MET H H 40 7.990 8.537 -0.547 1 1 391 . 13 1 1 A 41 41 MET HA H 40 4.550 4.643 -0.093 1 1 399 . 13 1 1 A 41 41 MET CA C 40 56.900 61.256 -4.356 1 1 400 . 13 1 1 A 41 41 MET CB C 40 33.700 33.180 0.520 1 1 6 . 14 1 1 A 3 3 LEU H H 2 8.530 8.499 0.031 1 1 7 . 14 1 1 A 3 3 LEU HA H 2 4.700 4.532 0.168 1 1 17 . 14 1 1 A 3 3 LEU CA C 2 54.700 60.659 -5.959 1 1 18 . 14 1 1 A 3 3 LEU CB C 2 43.000 63.971 -20.971 1 1 19 . 14 1 1 A 3 3 LEU N N 2 123.300 119.794 3.506 1 1 20 . 14 1 1 A 4 4 THR H H 3 9.520 7.585 1.935 1 1 21 . 14 1 1 A 4 4 THR HA H 3 4.830 4.355 0.475 1 1 26 . 14 1 1 A 4 4 THR CA C 3 61.300 54.399 6.901 1 1 27 . 14 1 1 A 4 4 THR CB C 3 71.100 40.194 30.906 1 1 28 . 14 1 1 A 4 4 THR N N 3 116.200 121.880 -5.680 1 1 29 . 14 1 1 A 5 5 TYR H H 4 9.380 8.323 1.057 1 1 30 . 14 1 1 A 5 5 TYR HA H 4 4.120 4.648 -0.528 1 1 37 . 14 1 1 A 5 5 TYR CA C 4 62.300 60.786 1.514 1 1 38 . 14 1 1 A 5 5 TYR CB C 4 38.600 71.018 -32.418 1 1 39 . 14 1 1 A 5 5 TYR N N 4 121.600 114.010 7.590 1 1 40 . 14 1 1 A 6 6 GLU H H 5 9.000 8.890 0.110 1 1 41 . 14 1 1 A 6 6 GLU HA H 5 3.900 4.088 -0.188 1 1 46 . 14 1 1 A 6 6 GLU CA C 5 60.500 61.748 -1.248 1 1 47 . 14 1 1 A 6 6 GLU CB C 5 28.700 39.139 -10.439 1 1 48 . 14 1 1 A 6 6 GLU N N 5 115.500 121.636 -6.136 1 1 49 . 14 1 1 A 7 7 GLU H H 6 7.920 8.288 -0.368 1 1 50 . 14 1 1 A 7 7 GLU HA H 6 4.060 3.706 0.354 1 1 55 . 14 1 1 A 7 7 GLU CA C 6 59.200 59.268 -0.068 1 1 56 . 14 1 1 A 7 7 GLU CB C 6 30.400 29.275 1.125 1 1 57 . 14 1 1 A 7 7 GLU N N 6 118.900 119.308 -0.408 1 1 58 . 14 1 1 A 8 8 VAL H H 7 8.590 7.787 0.803 1 1 59 . 14 1 1 A 8 8 VAL HA H 7 3.640 4.070 -0.430 1 1 67 . 14 1 1 A 8 8 VAL CA C 7 66.400 58.596 7.804 1 1 68 . 14 1 1 A 8 8 VAL CB C 7 30.800 29.740 1.060 1 1 69 . 14 1 1 A 8 8 VAL N N 7 119.300 119.470 -0.170 1 1 70 . 14 1 1 A 9 9 LEU H H 8 8.230 7.894 0.336 1 1 71 . 14 1 1 A 9 9 LEU HA H 8 3.870 3.969 -0.099 1 1 81 . 14 1 1 A 9 9 LEU CA C 8 58.500 65.181 -6.681 1 1 82 . 14 1 1 A 9 9 LEU CB C 8 41.100 31.216 9.884 1 1 83 . 14 1 1 A 9 9 LEU N N 8 120.600 119.381 1.219 1 1 84 . 14 1 1 A 10 10 GLN H H 9 7.910 7.943 -0.033 1 1 85 . 14 1 1 A 10 10 GLN HA H 9 4.090 3.752 0.338 1 1 92 . 14 1 1 A 10 10 GLN CA C 9 58.500 58.014 0.486 1 1 93 . 14 1 1 A 10 10 GLN CB C 9 27.900 41.123 -13.223 1 1 94 . 14 1 1 A 10 10 GLN N N 9 117.200 121.494 -4.294 1 1 96 . 14 1 1 A 11 11 GLU H H 10 8.200 7.739 0.461 1 1 97 . 14 1 1 A 11 11 GLU HA H 10 4.210 4.154 0.056 1 1 102 . 14 1 1 A 11 11 GLU CA C 10 58.700 58.537 0.163 1 1 103 . 14 1 1 A 11 11 GLU CB C 10 29.600 28.674 0.926 1 1 104 . 14 1 1 A 11 11 GLU N N 11 120.200 119.545 0.655 1 1 105 . 14 1 1 A 12 12 LEU HA H 11 3.910 4.081 -0.171 1 1 115 . 14 1 1 A 12 12 LEU CA C 11 58.900 59.196 -0.296 1 1 116 . 14 1 1 A 12 12 LEU CB C 11 40.900 29.026 11.874 1 1 117 . 14 1 1 A 12 12 LEU N N 11 124.600 119.545 5.055 1 1 118 . 14 1 1 A 13 13 VAL H H 12 8.180 7.418 0.762 1 1 119 . 14 1 1 A 13 13 VAL HA H 12 3.500 3.955 -0.455 1 1 121 . 14 1 1 A 13 13 VAL CA C 12 67.300 57.708 9.592 1 1 122 . 14 1 1 A 13 13 VAL CB C 12 31.500 41.793 -10.293 1 1 123 . 14 1 1 A 13 13 VAL N N 12 120.300 121.593 -1.293 1 1 124 . 14 1 1 A 14 14 LYS H H 13 8.020 7.618 0.402 1 1 125 . 14 1 1 A 14 14 LYS HA H 13 4.080 3.884 0.196 1 1 132 . 14 1 1 A 14 14 LYS CA C 13 59.200 64.469 -5.269 1 1 133 . 14 1 1 A 14 14 LYS CB C 13 31.500 31.567 -0.067 1 1 134 . 14 1 1 A 14 14 LYS N N 13 118.700 118.496 0.204 1 1 135 . 14 1 1 A 15 15 HIS H H 14 8.580 7.662 0.918 1 1 136 . 14 1 1 A 15 15 HIS HA H 14 4.120 4.088 0.032 1 1 141 . 14 1 1 A 15 15 HIS CA C 14 61.900 58.859 3.041 1 1 142 . 14 1 1 A 15 15 HIS CB C 14 32.000 32.666 -0.666 1 1 143 . 14 1 1 A 15 15 HIS N N 14 117.800 121.569 -3.769 1 1 144 . 14 1 1 A 16 16 LYS H H 15 8.670 8.375 0.295 1 1 145 . 14 1 1 A 16 16 LYS HA H 15 4.220 4.315 -0.095 1 1 154 . 14 1 1 A 16 16 LYS N N 15 120.300 118.252 2.048 1 1 155 . 14 1 1 A 17 17 GLU H H 16 7.910 8.264 -0.354 1 1 156 . 14 1 1 A 17 17 GLU HA H 16 4.160 3.888 0.272 1 1 159 . 14 1 1 A 17 17 GLU N N 16 120.000 120.319 -0.319 1 1 160 . 14 1 1 A 18 18 LEU H H 17 8.370 7.688 0.682 1 1 161 . 14 1 1 A 18 18 LEU HA H 17 4.670 4.235 0.435 1 1 171 . 14 1 1 A 18 18 LEU CB C 17 37.300 29.591 7.709 1 1 172 . 14 1 1 A 18 18 LEU N N 17 121.200 120.174 1.026 1 1 173 . 14 1 1 A 19 19 LEU H H 18 8.450 8.575 -0.125 1 1 174 . 14 1 1 A 19 19 LEU HA H 18 3.880 4.039 -0.159 1 1 184 . 14 1 1 A 19 19 LEU N N 18 119.300 120.521 -1.221 1 1 185 . 14 1 1 A 20 20 ARG H H 19 7.620 8.044 -0.424 1 1 186 . 14 1 1 A 20 20 ARG HA H 19 4.240 3.894 0.346 1 1 193 . 14 1 1 A 20 20 ARG CA C 19 59.300 57.663 1.637 1 1 194 . 14 1 1 A 20 20 ARG CB C 19 29.800 40.882 -11.082 1 1 195 . 14 1 1 A 20 20 ARG N N 19 117.900 118.127 -0.227 1 1 196 . 14 1 1 A 21 21 ARG H H 20 8.000 7.967 0.033 1 1 197 . 14 1 1 A 21 21 ARG HA H 20 4.120 3.990 0.130 1 1 204 . 14 1 1 A 21 21 ARG CA C 20 59.200 59.880 -0.680 1 1 205 . 14 1 1 A 21 21 ARG CB C 20 29.400 29.707 -0.307 1 1 206 . 14 1 1 A 21 21 ARG N N 20 118.300 119.615 -1.315 1 1 207 . 14 1 1 A 22 22 LYS H H 21 8.600 7.641 0.959 1 1 208 . 14 1 1 A 22 22 LYS HA H 21 4.210 4.062 0.148 1 1 217 . 14 1 1 A 22 22 LYS CA C 21 59.000 59.103 -0.103 1 1 218 . 14 1 1 A 22 22 LYS CB C 21 29.400 30.041 -0.641 1 1 219 . 14 1 1 A 22 22 LYS N N 21 120.900 118.905 1.995 1 1 220 . 14 1 1 A 23 23 ASP H H 22 8.560 7.595 0.965 1 1 221 . 14 1 1 A 23 23 ASP HA H 22 4.650 3.947 0.703 1 1 224 . 14 1 1 A 23 23 ASP CA C 22 57.300 60.031 -2.731 1 1 225 . 14 1 1 A 23 23 ASP CB C 22 40.200 32.275 7.925 1 1 226 . 14 1 1 A 23 23 ASP N N 22 119.500 118.809 0.691 1 1 227 . 14 1 1 A 24 24 THR H H 23 8.240 7.879 0.361 1 1 228 . 14 1 1 A 24 24 THR HA H 23 4.380 4.462 -0.082 1 1 233 . 14 1 1 A 24 24 THR CA C 23 66.600 57.083 9.517 1 1 234 . 14 1 1 A 24 24 THR CB C 23 68.400 40.874 27.526 1 1 235 . 14 1 1 A 24 24 THR N N 23 117.800 120.019 -2.219 1 1 236 . 14 1 1 A 25 25 HIS H H 24 7.970 8.042 -0.072 1 1 237 . 14 1 1 A 25 25 HIS HA H 24 4.600 3.974 0.626 1 1 241 . 14 1 1 A 25 25 HIS CA C 24 57.000 66.578 -9.578 1 1 242 . 14 1 1 A 25 25 HIS CB C 24 32.000 68.741 -36.741 1 1 243 . 14 1 1 A 25 25 HIS N N 24 122.100 114.873 7.227 1 1 244 . 14 1 1 A 26 26 ILE H H 25 8.760 8.779 -0.019 1 1 245 . 14 1 1 A 26 26 ILE HA H 25 4.020 4.352 -0.332 1 1 252 . 14 1 1 A 26 26 ILE CA C 25 61.300 60.146 1.154 1 1 253 . 14 1 1 A 26 26 ILE CB C 25 37.900 29.840 8.060 1 1 254 . 14 1 1 A 26 26 ILE N N 25 119.100 121.444 -2.344 1 1 255 . 14 1 1 A 27 27 ARG H H 26 7.820 7.813 0.007 1 1 256 . 14 1 1 A 27 27 ARG HA H 26 4.210 3.876 0.334 1 1 263 . 14 1 1 A 27 27 ARG CA C 26 58.700 64.526 -5.826 1 1 264 . 14 1 1 A 27 27 ARG CB C 26 29.400 37.256 -7.856 1 1 265 . 14 1 1 A 27 27 ARG N N 26 118.300 116.012 2.288 1 1 266 . 14 1 1 A 28 28 GLU H H 27 8.020 8.030 -0.010 1 1 267 . 14 1 1 A 28 28 GLU HA H 27 4.140 3.945 0.195 1 1 272 . 14 1 1 A 28 28 GLU CA C 27 60.500 59.471 1.029 1 1 273 . 14 1 1 A 28 28 GLU N N 27 118.600 121.486 -2.886 1 1 274 . 14 1 1 A 29 29 LEU H H 28 8.370 8.254 0.116 1 1 275 . 14 1 1 A 29 29 LEU HA H 28 4.250 4.066 0.184 1 1 285 . 14 1 1 A 29 29 LEU N N 28 121.200 117.697 3.503 1 1 286 . 14 1 1 A 30 30 GLU H H 29 8.910 8.043 0.867 1 1 287 . 14 1 1 A 30 30 GLU HA H 29 4.180 4.395 -0.215 1 1 290 . 14 1 1 A 30 30 GLU CA C 29 60.100 57.384 2.716 1 1 291 . 14 1 1 A 30 30 GLU CB C 29 29.200 41.391 -12.191 1 1 292 . 14 1 1 A 30 30 GLU N N 29 119.000 122.052 -3.052 1 1 293 . 14 1 1 A 31 31 ASP H H 30 8.580 8.325 0.255 1 1 294 . 14 1 1 A 31 31 ASP HA H 30 4.420 4.037 0.383 1 1 297 . 14 1 1 A 31 31 ASP CA C 30 57.000 59.684 -2.684 1 1 298 . 14 1 1 A 31 31 ASP N N 30 119.400 118.840 0.560 1 1 299 . 14 1 1 A 32 32 TYR H H 31 8.100 8.022 0.078 1 1 300 . 14 1 1 A 32 32 TYR HA H 31 4.520 4.334 0.186 1 1 307 . 14 1 1 A 32 32 TYR CA C 31 58.200 57.062 1.138 1 1 308 . 14 1 1 A 32 32 TYR N N 31 122.100 119.382 2.718 1 1 309 . 14 1 1 A 33 33 ILE HA H 32 4.070 4.258 -0.188 1 1 316 . 14 1 1 A 33 33 ILE CA C 32 58.200 61.165 -2.965 1 1 317 . 14 1 1 A 34 34 ASP H H 33 8.130 7.796 0.334 1 1 318 . 14 1 1 A 34 34 ASP HA H 33 4.380 3.821 0.559 1 1 321 . 14 1 1 A 34 34 ASP CA C 33 57.300 63.559 -6.259 1 1 322 . 14 1 1 A 34 34 ASP CB C 33 40.600 37.667 2.933 1 1 323 . 14 1 1 A 34 34 ASP N N 33 118.100 120.066 -1.966 1 1 324 . 14 1 1 A 35 35 ASN H H 34 7.790 7.977 -0.187 1 1 325 . 14 1 1 A 35 35 ASN HA H 34 4.520 4.423 0.097 1 1 330 . 14 1 1 A 35 35 ASN CA C 34 55.300 57.433 -2.133 1 1 331 . 14 1 1 A 35 35 ASN CB C 34 39.800 40.184 -0.384 1 1 332 . 14 1 1 A 35 35 ASN N N 34 115.600 122.117 -6.517 1 1 333 . 14 1 1 A 36 36 LEU HA H 35 3.750 4.411 -0.661 1 1 343 . 14 1 1 A 36 36 LEU CA C 35 56.300 56.827 -0.527 1 1 344 . 14 1 1 A 37 37 LEU HA H 36 4.280 4.040 0.240 1 1 354 . 14 1 1 A 37 37 LEU CA C 36 55.800 57.912 -2.112 1 1 355 . 14 1 1 A 37 37 LEU CB C 36 42.300 41.558 0.742 1 1 356 . 14 1 1 A 38 38 VAL H H 37 7.500 7.463 0.037 1 1 357 . 14 1 1 A 38 38 VAL HA H 37 4.070 4.590 -0.520 1 1 365 . 14 1 1 A 38 38 VAL CA C 37 62.800 53.809 8.991 1 1 366 . 14 1 1 A 38 38 VAL CB C 37 33.600 41.646 -8.046 1 1 367 . 14 1 1 A 38 38 VAL N N 37 115.900 112.296 3.604 1 1 368 . 14 1 1 A 39 39 ARG H H 38 7.920 7.923 -0.003 1 1 369 . 14 1 1 A 39 39 ARG HA H 38 4.360 4.417 -0.057 1 1 376 . 14 1 1 A 39 39 ARG CA C 38 60.500 60.126 0.374 1 1 377 . 14 1 1 A 39 39 ARG N N 38 121.300 118.985 2.315 1 1 378 . 14 1 1 A 40 40 VAL H H 39 8.000 8.414 -0.414 1 1 379 . 14 1 1 A 40 40 VAL HA H 39 4.180 4.444 -0.264 1 1 387 . 14 1 1 A 40 40 VAL CA C 39 62.600 56.265 6.335 1 1 388 . 14 1 1 A 40 40 VAL CB C 39 32.600 30.615 1.985 1 1 389 . 14 1 1 A 40 40 VAL N N 39 119.000 125.085 -6.085 1 1 390 . 14 1 1 A 41 41 MET H H 40 7.990 8.637 -0.647 1 1 391 . 14 1 1 A 41 41 MET HA H 40 4.550 4.728 -0.178 1 1 399 . 14 1 1 A 41 41 MET CA C 40 56.900 60.681 -3.781 1 1 400 . 14 1 1 A 41 41 MET CB C 40 33.700 33.332 0.368 1 1 6 . 15 1 1 A 3 3 LEU H H 2 8.530 8.555 -0.025 1 1 7 . 15 1 1 A 3 3 LEU HA H 2 4.700 4.542 0.158 1 1 17 . 15 1 1 A 3 3 LEU CA C 2 54.700 59.927 -5.227 1 1 18 . 15 1 1 A 3 3 LEU CB C 2 43.000 64.327 -21.327 1 1 19 . 15 1 1 A 3 3 LEU N N 2 123.300 121.929 1.371 1 1 20 . 15 1 1 A 4 4 THR H H 3 9.520 7.618 1.902 1 1 21 . 15 1 1 A 4 4 THR HA H 3 4.830 4.286 0.544 1 1 26 . 15 1 1 A 4 4 THR CA C 3 61.300 54.786 6.514 1 1 27 . 15 1 1 A 4 4 THR CB C 3 71.100 41.042 30.058 1 1 28 . 15 1 1 A 4 4 THR N N 3 116.200 116.624 -0.424 1 1 29 . 15 1 1 A 5 5 TYR H H 4 9.380 8.660 0.720 1 1 30 . 15 1 1 A 5 5 TYR HA H 4 4.120 4.781 -0.661 1 1 37 . 15 1 1 A 5 5 TYR CA C 4 62.300 60.796 1.504 1 1 38 . 15 1 1 A 5 5 TYR CB C 4 38.600 71.585 -32.985 1 1 39 . 15 1 1 A 5 5 TYR N N 4 121.600 112.103 9.497 1 1 40 . 15 1 1 A 6 6 GLU H H 5 9.000 9.023 -0.023 1 1 41 . 15 1 1 A 6 6 GLU HA H 5 3.900 4.186 -0.286 1 1 46 . 15 1 1 A 6 6 GLU CA C 5 60.500 61.441 -0.941 1 1 47 . 15 1 1 A 6 6 GLU CB C 5 28.700 38.584 -9.884 1 1 48 . 15 1 1 A 6 6 GLU N N 5 115.500 121.857 -6.357 1 1 49 . 15 1 1 A 7 7 GLU H H 6 7.920 8.451 -0.531 1 1 50 . 15 1 1 A 7 7 GLU HA H 6 4.060 4.018 0.042 1 1 55 . 15 1 1 A 7 7 GLU CA C 6 59.200 58.480 0.720 1 1 56 . 15 1 1 A 7 7 GLU CB C 6 30.400 29.113 1.287 1 1 57 . 15 1 1 A 7 7 GLU N N 6 118.900 117.788 1.112 1 1 58 . 15 1 1 A 8 8 VAL H H 7 8.590 7.810 0.780 1 1 59 . 15 1 1 A 8 8 VAL HA H 7 3.640 4.121 -0.481 1 1 67 . 15 1 1 A 8 8 VAL CA C 7 66.400 58.644 7.756 1 1 68 . 15 1 1 A 8 8 VAL CB C 7 30.800 29.415 1.385 1 1 69 . 15 1 1 A 8 8 VAL N N 7 119.300 120.190 -0.890 1 1 70 . 15 1 1 A 9 9 LEU H H 8 8.230 8.016 0.214 1 1 71 . 15 1 1 A 9 9 LEU HA H 8 3.870 3.815 0.055 1 1 81 . 15 1 1 A 9 9 LEU CA C 8 58.500 65.445 -6.945 1 1 82 . 15 1 1 A 9 9 LEU CB C 8 41.100 31.238 9.862 1 1 83 . 15 1 1 A 9 9 LEU N N 8 120.600 119.500 1.100 1 1 84 . 15 1 1 A 10 10 GLN H H 9 7.910 7.585 0.325 1 1 85 . 15 1 1 A 10 10 GLN HA H 9 4.090 3.779 0.311 1 1 92 . 15 1 1 A 10 10 GLN CA C 9 58.500 58.121 0.379 1 1 93 . 15 1 1 A 10 10 GLN CB C 9 27.900 41.560 -13.660 1 1 94 . 15 1 1 A 10 10 GLN N N 9 117.200 121.302 -4.102 1 1 96 . 15 1 1 A 11 11 GLU H H 10 8.200 8.106 0.094 1 1 97 . 15 1 1 A 11 11 GLU HA H 10 4.210 4.050 0.160 1 1 102 . 15 1 1 A 11 11 GLU CA C 10 58.700 58.927 -0.227 1 1 103 . 15 1 1 A 11 11 GLU CB C 10 29.600 28.581 1.019 1 1 104 . 15 1 1 A 11 11 GLU N N 11 120.200 120.240 -0.040 1 1 105 . 15 1 1 A 12 12 LEU HA H 11 3.910 4.026 -0.116 1 1 115 . 15 1 1 A 12 12 LEU CA C 11 58.900 59.159 -0.259 1 1 116 . 15 1 1 A 12 12 LEU CB C 11 40.900 29.086 11.814 1 1 117 . 15 1 1 A 12 12 LEU N N 11 124.600 120.240 4.360 1 1 118 . 15 1 1 A 13 13 VAL H H 12 8.180 7.760 0.420 1 1 119 . 15 1 1 A 13 13 VAL HA H 12 3.500 4.001 -0.501 1 1 121 . 15 1 1 A 13 13 VAL CA C 12 67.300 57.668 9.632 1 1 122 . 15 1 1 A 13 13 VAL CB C 12 31.500 41.764 -10.264 1 1 123 . 15 1 1 A 13 13 VAL N N 12 120.300 121.657 -1.357 1 1 124 . 15 1 1 A 14 14 LYS H H 13 8.020 7.868 0.152 1 1 125 . 15 1 1 A 14 14 LYS HA H 13 4.080 3.874 0.206 1 1 132 . 15 1 1 A 14 14 LYS CA C 13 59.200 64.447 -5.247 1 1 133 . 15 1 1 A 14 14 LYS CB C 13 31.500 31.589 -0.089 1 1 134 . 15 1 1 A 14 14 LYS N N 13 118.700 118.375 0.325 1 1 135 . 15 1 1 A 15 15 HIS H H 14 8.580 7.596 0.984 1 1 136 . 15 1 1 A 15 15 HIS HA H 14 4.120 4.379 -0.259 1 1 141 . 15 1 1 A 15 15 HIS CA C 14 61.900 58.763 3.137 1 1 142 . 15 1 1 A 15 15 HIS CB C 14 32.000 32.671 -0.671 1 1 143 . 15 1 1 A 15 15 HIS N N 14 117.800 121.722 -3.922 1 1 144 . 15 1 1 A 16 16 LYS H H 15 8.670 8.035 0.635 1 1 145 . 15 1 1 A 16 16 LYS HA H 15 4.220 4.311 -0.091 1 1 154 . 15 1 1 A 16 16 LYS N N 15 120.300 118.393 1.907 1 1 155 . 15 1 1 A 17 17 GLU H H 16 7.910 8.115 -0.205 1 1 156 . 15 1 1 A 17 17 GLU HA H 16 4.160 3.895 0.265 1 1 159 . 15 1 1 A 17 17 GLU N N 16 120.000 119.618 0.382 1 1 160 . 15 1 1 A 18 18 LEU H H 17 8.370 7.811 0.559 1 1 161 . 15 1 1 A 18 18 LEU HA H 17 4.670 4.096 0.574 1 1 171 . 15 1 1 A 18 18 LEU CB C 17 37.300 28.708 8.592 1 1 172 . 15 1 1 A 18 18 LEU N N 17 121.200 118.491 2.709 1 1 173 . 15 1 1 A 19 19 LEU H H 18 8.450 8.487 -0.037 1 1 174 . 15 1 1 A 19 19 LEU HA H 18 3.880 4.017 -0.137 1 1 184 . 15 1 1 A 19 19 LEU N N 18 119.300 121.262 -1.962 1 1 185 . 15 1 1 A 20 20 ARG H H 19 7.620 8.159 -0.539 1 1 186 . 15 1 1 A 20 20 ARG HA H 19 4.240 3.890 0.350 1 1 193 . 15 1 1 A 20 20 ARG CA C 19 59.300 57.640 1.660 1 1 194 . 15 1 1 A 20 20 ARG CB C 19 29.800 40.895 -11.095 1 1 195 . 15 1 1 A 20 20 ARG N N 19 117.900 117.964 -0.064 1 1 196 . 15 1 1 A 21 21 ARG H H 20 8.000 7.985 0.015 1 1 197 . 15 1 1 A 21 21 ARG HA H 20 4.120 3.999 0.121 1 1 204 . 15 1 1 A 21 21 ARG CA C 20 59.200 59.860 -0.660 1 1 205 . 15 1 1 A 21 21 ARG CB C 20 29.400 29.981 -0.581 1 1 206 . 15 1 1 A 21 21 ARG N N 20 118.300 119.518 -1.218 1 1 207 . 15 1 1 A 22 22 LYS H H 21 8.600 7.907 0.693 1 1 208 . 15 1 1 A 22 22 LYS HA H 21 4.210 3.959 0.251 1 1 217 . 15 1 1 A 22 22 LYS CA C 21 59.000 59.457 -0.457 1 1 218 . 15 1 1 A 22 22 LYS CB C 21 29.400 29.962 -0.562 1 1 219 . 15 1 1 A 22 22 LYS N N 21 120.900 119.670 1.230 1 1 220 . 15 1 1 A 23 23 ASP H H 22 8.560 7.676 0.884 1 1 221 . 15 1 1 A 23 23 ASP HA H 22 4.650 4.039 0.611 1 1 224 . 15 1 1 A 23 23 ASP CA C 22 57.300 59.588 -2.288 1 1 225 . 15 1 1 A 23 23 ASP CB C 22 40.200 32.440 7.760 1 1 226 . 15 1 1 A 23 23 ASP N N 22 119.500 119.179 0.321 1 1 227 . 15 1 1 A 24 24 THR H H 23 8.240 7.889 0.351 1 1 228 . 15 1 1 A 24 24 THR HA H 23 4.380 4.412 -0.032 1 1 233 . 15 1 1 A 24 24 THR CA C 23 66.600 56.355 10.245 1 1 234 . 15 1 1 A 24 24 THR CB C 23 68.400 41.141 27.259 1 1 235 . 15 1 1 A 24 24 THR N N 23 117.800 119.514 -1.714 1 1 236 . 15 1 1 A 25 25 HIS H H 24 7.970 7.493 0.477 1 1 237 . 15 1 1 A 25 25 HIS HA H 24 4.600 4.139 0.461 1 1 241 . 15 1 1 A 25 25 HIS CA C 24 57.000 64.647 -7.647 1 1 242 . 15 1 1 A 25 25 HIS CB C 24 32.000 68.979 -36.979 1 1 243 . 15 1 1 A 25 25 HIS N N 24 122.100 114.719 7.381 1 1 244 . 15 1 1 A 26 26 ILE H H 25 8.760 8.335 0.425 1 1 245 . 15 1 1 A 26 26 ILE HA H 25 4.020 4.543 -0.523 1 1 252 . 15 1 1 A 26 26 ILE CA C 25 61.300 60.288 1.012 1 1 253 . 15 1 1 A 26 26 ILE CB C 25 37.900 30.447 7.453 1 1 254 . 15 1 1 A 26 26 ILE N N 25 119.100 121.442 -2.342 1 1 255 . 15 1 1 A 27 27 ARG H H 26 7.820 7.888 -0.068 1 1 256 . 15 1 1 A 27 27 ARG HA H 26 4.210 3.850 0.360 1 1 263 . 15 1 1 A 27 27 ARG CA C 26 58.700 64.398 -5.698 1 1 264 . 15 1 1 A 27 27 ARG CB C 26 29.400 37.441 -8.041 1 1 265 . 15 1 1 A 27 27 ARG N N 26 118.300 116.849 1.451 1 1 266 . 15 1 1 A 28 28 GLU H H 27 8.020 7.932 0.088 1 1 267 . 15 1 1 A 28 28 GLU HA H 27 4.140 4.060 0.080 1 1 272 . 15 1 1 A 28 28 GLU CA C 27 60.500 58.816 1.684 1 1 273 . 15 1 1 A 28 28 GLU N N 27 118.600 121.326 -2.726 1 1 274 . 15 1 1 A 29 29 LEU H H 28 8.370 8.149 0.221 1 1 275 . 15 1 1 A 29 29 LEU HA H 28 4.250 4.058 0.192 1 1 285 . 15 1 1 A 29 29 LEU N N 28 121.200 118.884 2.316 1 1 286 . 15 1 1 A 30 30 GLU H H 29 8.910 8.109 0.801 1 1 287 . 15 1 1 A 30 30 GLU HA H 29 4.180 4.161 0.019 1 1 290 . 15 1 1 A 30 30 GLU CA C 29 60.100 57.094 3.006 1 1 291 . 15 1 1 A 30 30 GLU CB C 29 29.200 41.458 -12.258 1 1 292 . 15 1 1 A 30 30 GLU N N 29 119.000 120.938 -1.938 1 1 293 . 15 1 1 A 31 31 ASP H H 30 8.580 8.058 0.522 1 1 294 . 15 1 1 A 31 31 ASP HA H 30 4.420 4.045 0.375 1 1 297 . 15 1 1 A 31 31 ASP CA C 30 57.000 59.361 -2.361 1 1 298 . 15 1 1 A 31 31 ASP N N 30 119.400 119.334 0.066 1 1 299 . 15 1 1 A 32 32 TYR H H 31 8.100 7.643 0.457 1 1 300 . 15 1 1 A 32 32 TYR HA H 31 4.520 4.539 -0.019 1 1 307 . 15 1 1 A 32 32 TYR CA C 31 58.200 56.910 1.290 1 1 308 . 15 1 1 A 32 32 TYR N N 31 122.100 120.158 1.942 1 1 309 . 15 1 1 A 33 33 ILE HA H 32 4.070 4.135 -0.065 1 1 316 . 15 1 1 A 33 33 ILE CA C 32 58.200 61.375 -3.175 1 1 317 . 15 1 1 A 34 34 ASP H H 33 8.130 7.908 0.222 1 1 318 . 15 1 1 A 34 34 ASP HA H 33 4.380 3.479 0.901 1 1 321 . 15 1 1 A 34 34 ASP CA C 33 57.300 64.097 -6.797 1 1 322 . 15 1 1 A 34 34 ASP CB C 33 40.600 36.198 4.402 1 1 323 . 15 1 1 A 34 34 ASP N N 33 118.100 120.333 -2.233 1 1 324 . 15 1 1 A 35 35 ASN H H 34 7.790 8.345 -0.555 1 1 325 . 15 1 1 A 35 35 ASN HA H 34 4.520 4.431 0.089 1 1 330 . 15 1 1 A 35 35 ASN CA C 34 55.300 56.380 -1.080 1 1 331 . 15 1 1 A 35 35 ASN CB C 34 39.800 41.481 -1.681 1 1 332 . 15 1 1 A 35 35 ASN N N 34 115.600 122.076 -6.476 1 1 333 . 15 1 1 A 36 36 LEU HA H 35 3.750 4.312 -0.562 1 1 343 . 15 1 1 A 36 36 LEU CA C 35 56.300 56.843 -0.543 1 1 344 . 15 1 1 A 37 37 LEU HA H 36 4.280 4.046 0.234 1 1 354 . 15 1 1 A 37 37 LEU CA C 36 55.800 57.857 -2.057 1 1 355 . 15 1 1 A 37 37 LEU CB C 36 42.300 41.822 0.478 1 1 356 . 15 1 1 A 38 38 VAL H H 37 7.500 7.570 -0.070 1 1 357 . 15 1 1 A 38 38 VAL HA H 37 4.070 4.562 -0.492 1 1 365 . 15 1 1 A 38 38 VAL CA C 37 62.800 53.775 9.025 1 1 366 . 15 1 1 A 38 38 VAL CB C 37 33.600 41.594 -7.994 1 1 367 . 15 1 1 A 38 38 VAL N N 37 115.900 112.281 3.619 1 1 368 . 15 1 1 A 39 39 ARG H H 38 7.920 7.588 0.332 1 1 369 . 15 1 1 A 39 39 ARG HA H 38 4.360 4.755 -0.395 1 1 376 . 15 1 1 A 39 39 ARG CA C 38 60.500 59.799 0.701 1 1 377 . 15 1 1 A 39 39 ARG N N 38 121.300 120.217 1.083 1 1 378 . 15 1 1 A 40 40 VAL H H 39 8.000 8.370 -0.370 1 1 379 . 15 1 1 A 40 40 VAL HA H 39 4.180 4.468 -0.288 1 1 387 . 15 1 1 A 40 40 VAL CA C 39 62.600 56.632 5.968 1 1 388 . 15 1 1 A 40 40 VAL CB C 39 32.600 30.555 2.045 1 1 389 . 15 1 1 A 40 40 VAL N N 39 119.000 125.237 -6.237 1 1 390 . 15 1 1 A 41 41 MET H H 40 7.990 8.773 -0.783 1 1 391 . 15 1 1 A 41 41 MET HA H 40 4.550 4.937 -0.387 1 1 399 . 15 1 1 A 41 41 MET CA C 40 56.900 60.050 -3.150 1 1 400 . 15 1 1 A 41 41 MET CB C 40 33.700 34.024 -0.324 1 1 6 . 16 1 1 A 3 3 LEU H H 2 8.530 8.617 -0.087 1 1 7 . 16 1 1 A 3 3 LEU HA H 2 4.700 4.495 0.205 1 1 17 . 16 1 1 A 3 3 LEU CA C 2 54.700 59.512 -4.812 1 1 18 . 16 1 1 A 3 3 LEU CB C 2 43.000 64.140 -21.140 1 1 19 . 16 1 1 A 3 3 LEU N N 2 123.300 121.989 1.311 1 1 20 . 16 1 1 A 4 4 THR H H 3 9.520 7.883 1.637 1 1 21 . 16 1 1 A 4 4 THR HA H 3 4.830 4.250 0.580 1 1 26 . 16 1 1 A 4 4 THR CA C 3 61.300 54.604 6.696 1 1 27 . 16 1 1 A 4 4 THR CB C 3 71.100 41.218 29.882 1 1 28 . 16 1 1 A 4 4 THR N N 3 116.200 116.356 -0.156 1 1 29 . 16 1 1 A 5 5 TYR H H 4 9.380 8.417 0.963 1 1 30 . 16 1 1 A 5 5 TYR HA H 4 4.120 4.612 -0.492 1 1 37 . 16 1 1 A 5 5 TYR CA C 4 62.300 60.889 1.411 1 1 38 . 16 1 1 A 5 5 TYR CB C 4 38.600 71.084 -32.484 1 1 39 . 16 1 1 A 5 5 TYR N N 4 121.600 110.025 11.575 1 1 40 . 16 1 1 A 6 6 GLU H H 5 9.000 9.075 -0.075 1 1 41 . 16 1 1 A 6 6 GLU HA H 5 3.900 4.163 -0.263 1 1 46 . 16 1 1 A 6 6 GLU CA C 5 60.500 62.386 -1.886 1 1 47 . 16 1 1 A 6 6 GLU CB C 5 28.700 39.291 -10.591 1 1 48 . 16 1 1 A 6 6 GLU N N 5 115.500 122.132 -6.632 1 1 49 . 16 1 1 A 7 7 GLU H H 6 7.920 8.213 -0.293 1 1 50 . 16 1 1 A 7 7 GLU HA H 6 4.060 4.020 0.040 1 1 55 . 16 1 1 A 7 7 GLU CA C 6 59.200 58.713 0.487 1 1 56 . 16 1 1 A 7 7 GLU CB C 6 30.400 29.449 0.951 1 1 57 . 16 1 1 A 7 7 GLU N N 6 118.900 119.691 -0.791 1 1 58 . 16 1 1 A 8 8 VAL H H 7 8.590 8.566 0.024 1 1 59 . 16 1 1 A 8 8 VAL HA H 7 3.640 4.121 -0.481 1 1 67 . 16 1 1 A 8 8 VAL CA C 7 66.400 58.778 7.622 1 1 68 . 16 1 1 A 8 8 VAL CB C 7 30.800 29.493 1.307 1 1 69 . 16 1 1 A 8 8 VAL N N 7 119.300 119.309 -0.009 1 1 70 . 16 1 1 A 9 9 LEU H H 8 8.230 7.673 0.557 1 1 71 . 16 1 1 A 9 9 LEU HA H 8 3.870 4.062 -0.192 1 1 81 . 16 1 1 A 9 9 LEU CA C 8 58.500 64.928 -6.428 1 1 82 . 16 1 1 A 9 9 LEU CB C 8 41.100 31.435 9.665 1 1 83 . 16 1 1 A 9 9 LEU N N 8 120.600 119.267 1.333 1 1 84 . 16 1 1 A 10 10 GLN H H 9 7.910 7.860 0.050 1 1 85 . 16 1 1 A 10 10 GLN HA H 9 4.090 3.811 0.279 1 1 92 . 16 1 1 A 10 10 GLN CA C 9 58.500 58.078 0.422 1 1 93 . 16 1 1 A 10 10 GLN CB C 9 27.900 41.467 -13.567 1 1 94 . 16 1 1 A 10 10 GLN N N 9 117.200 121.221 -4.021 1 1 96 . 16 1 1 A 11 11 GLU H H 10 8.200 7.673 0.527 1 1 97 . 16 1 1 A 11 11 GLU HA H 10 4.210 4.156 0.054 1 1 102 . 16 1 1 A 11 11 GLU CA C 10 58.700 58.735 -0.035 1 1 103 . 16 1 1 A 11 11 GLU CB C 10 29.600 28.652 0.948 1 1 104 . 16 1 1 A 11 11 GLU N N 11 120.200 120.327 -0.127 1 1 105 . 16 1 1 A 12 12 LEU HA H 11 3.910 4.150 -0.240 1 1 115 . 16 1 1 A 12 12 LEU CA C 11 58.900 58.782 0.118 1 1 116 . 16 1 1 A 12 12 LEU CB C 11 40.900 29.493 11.407 1 1 117 . 16 1 1 A 12 12 LEU N N 11 124.600 120.327 4.273 1 1 118 . 16 1 1 A 13 13 VAL H H 12 8.180 7.547 0.633 1 1 119 . 16 1 1 A 13 13 VAL HA H 12 3.500 4.019 -0.519 1 1 121 . 16 1 1 A 13 13 VAL CA C 12 67.300 57.997 9.303 1 1 122 . 16 1 1 A 13 13 VAL CB C 12 31.500 41.471 -9.971 1 1 123 . 16 1 1 A 13 13 VAL N N 12 120.300 121.933 -1.633 1 1 124 . 16 1 1 A 14 14 LYS H H 13 8.020 7.566 0.454 1 1 125 . 16 1 1 A 14 14 LYS HA H 13 4.080 3.902 0.178 1 1 132 . 16 1 1 A 14 14 LYS CA C 13 59.200 64.405 -5.205 1 1 133 . 16 1 1 A 14 14 LYS CB C 13 31.500 31.610 -0.110 1 1 134 . 16 1 1 A 14 14 LYS N N 13 118.700 117.996 0.704 1 1 135 . 16 1 1 A 15 15 HIS H H 14 8.580 8.015 0.565 1 1 136 . 16 1 1 A 15 15 HIS HA H 14 4.120 4.080 0.040 1 1 141 . 16 1 1 A 15 15 HIS CA C 14 61.900 59.041 2.859 1 1 142 . 16 1 1 A 15 15 HIS CB C 14 32.000 32.631 -0.631 1 1 143 . 16 1 1 A 15 15 HIS N N 14 117.800 121.686 -3.886 1 1 144 . 16 1 1 A 16 16 LYS H H 15 8.670 8.673 -0.003 1 1 145 . 16 1 1 A 16 16 LYS HA H 15 4.220 4.207 0.013 1 1 154 . 16 1 1 A 16 16 LYS N N 15 120.300 118.674 1.626 1 1 155 . 16 1 1 A 17 17 GLU H H 16 7.910 8.168 -0.258 1 1 156 . 16 1 1 A 17 17 GLU HA H 16 4.160 3.875 0.285 1 1 159 . 16 1 1 A 17 17 GLU N N 16 120.000 118.951 1.049 1 1 160 . 16 1 1 A 18 18 LEU H H 17 8.370 8.132 0.238 1 1 161 . 16 1 1 A 18 18 LEU HA H 17 4.670 4.180 0.490 1 1 171 . 16 1 1 A 18 18 LEU CB C 17 37.300 29.579 7.721 1 1 172 . 16 1 1 A 18 18 LEU N N 17 121.200 119.839 1.361 1 1 173 . 16 1 1 A 19 19 LEU H H 18 8.450 8.269 0.181 1 1 174 . 16 1 1 A 19 19 LEU HA H 18 3.880 4.020 -0.140 1 1 184 . 16 1 1 A 19 19 LEU N N 18 119.300 120.103 -0.803 1 1 185 . 16 1 1 A 20 20 ARG H H 19 7.620 8.256 -0.636 1 1 186 . 16 1 1 A 20 20 ARG HA H 19 4.240 3.908 0.332 1 1 193 . 16 1 1 A 20 20 ARG CA C 19 59.300 57.721 1.579 1 1 194 . 16 1 1 A 20 20 ARG CB C 19 29.800 40.975 -11.175 1 1 195 . 16 1 1 A 20 20 ARG N N 19 117.900 118.274 -0.374 1 1 196 . 16 1 1 A 21 21 ARG H H 20 8.000 8.112 -0.112 1 1 197 . 16 1 1 A 21 21 ARG HA H 20 4.120 3.952 0.168 1 1 204 . 16 1 1 A 21 21 ARG CA C 20 59.200 59.866 -0.666 1 1 205 . 16 1 1 A 21 21 ARG CB C 20 29.400 30.027 -0.627 1 1 206 . 16 1 1 A 21 21 ARG N N 20 118.300 119.395 -1.095 1 1 207 . 16 1 1 A 22 22 LYS H H 21 8.600 7.627 0.973 1 1 208 . 16 1 1 A 22 22 LYS HA H 21 4.210 4.031 0.179 1 1 217 . 16 1 1 A 22 22 LYS CA C 21 59.000 59.148 -0.148 1 1 218 . 16 1 1 A 22 22 LYS CB C 21 29.400 29.838 -0.438 1 1 219 . 16 1 1 A 22 22 LYS N N 21 120.900 119.826 1.074 1 1 220 . 16 1 1 A 23 23 ASP H H 22 8.560 7.777 0.783 1 1 221 . 16 1 1 A 23 23 ASP HA H 22 4.650 4.042 0.608 1 1 224 . 16 1 1 A 23 23 ASP CA C 22 57.300 58.637 -1.337 1 1 225 . 16 1 1 A 23 23 ASP CB C 22 40.200 32.101 8.099 1 1 226 . 16 1 1 A 23 23 ASP N N 22 119.500 118.425 1.075 1 1 227 . 16 1 1 A 24 24 THR H H 23 8.240 8.388 -0.148 1 1 228 . 16 1 1 A 24 24 THR HA H 23 4.380 4.603 -0.223 1 1 233 . 16 1 1 A 24 24 THR CA C 23 66.600 56.304 10.296 1 1 234 . 16 1 1 A 24 24 THR CB C 23 68.400 41.078 27.322 1 1 235 . 16 1 1 A 24 24 THR N N 23 117.800 118.372 -0.572 1 1 236 . 16 1 1 A 25 25 HIS H H 24 7.970 7.964 0.006 1 1 237 . 16 1 1 A 25 25 HIS HA H 24 4.600 3.974 0.626 1 1 241 . 16 1 1 A 25 25 HIS CA C 24 57.000 66.593 -9.593 1 1 242 . 16 1 1 A 25 25 HIS CB C 24 32.000 68.750 -36.750 1 1 243 . 16 1 1 A 25 25 HIS N N 24 122.100 115.157 6.943 1 1 244 . 16 1 1 A 26 26 ILE H H 25 8.760 8.627 0.133 1 1 245 . 16 1 1 A 26 26 ILE HA H 25 4.020 4.429 -0.409 1 1 252 . 16 1 1 A 26 26 ILE CA C 25 61.300 60.340 0.960 1 1 253 . 16 1 1 A 26 26 ILE CB C 25 37.900 30.298 7.602 1 1 254 . 16 1 1 A 26 26 ILE N N 25 119.100 121.953 -2.853 1 1 255 . 16 1 1 A 27 27 ARG H H 26 7.820 8.135 -0.315 1 1 256 . 16 1 1 A 27 27 ARG HA H 26 4.210 3.774 0.436 1 1 263 . 16 1 1 A 27 27 ARG CA C 26 58.700 64.839 -6.139 1 1 264 . 16 1 1 A 27 27 ARG CB C 26 29.400 37.791 -8.391 1 1 265 . 16 1 1 A 27 27 ARG N N 26 118.300 117.343 0.957 1 1 266 . 16 1 1 A 28 28 GLU H H 27 8.020 8.483 -0.463 1 1 267 . 16 1 1 A 28 28 GLU HA H 27 4.140 3.881 0.259 1 1 272 . 16 1 1 A 28 28 GLU CA C 27 60.500 60.050 0.450 1 1 273 . 16 1 1 A 28 28 GLU N N 27 118.600 122.024 -3.424 1 1 274 . 16 1 1 A 29 29 LEU H H 28 8.370 8.326 0.044 1 1 275 . 16 1 1 A 29 29 LEU HA H 28 4.250 4.032 0.218 1 1 285 . 16 1 1 A 29 29 LEU N N 28 121.200 117.500 3.700 1 1 286 . 16 1 1 A 30 30 GLU H H 29 8.910 8.517 0.393 1 1 287 . 16 1 1 A 30 30 GLU HA H 29 4.180 4.264 -0.084 1 1 290 . 16 1 1 A 30 30 GLU CA C 29 60.100 57.298 2.802 1 1 291 . 16 1 1 A 30 30 GLU CB C 29 29.200 41.287 -12.087 1 1 292 . 16 1 1 A 30 30 GLU N N 29 119.000 121.206 -2.206 1 1 293 . 16 1 1 A 31 31 ASP H H 30 8.580 7.852 0.728 1 1 294 . 16 1 1 A 31 31 ASP HA H 30 4.420 4.074 0.346 1 1 297 . 16 1 1 A 31 31 ASP CA C 30 57.000 59.500 -2.500 1 1 298 . 16 1 1 A 31 31 ASP N N 30 119.400 119.612 -0.212 1 1 299 . 16 1 1 A 32 32 TYR H H 31 8.100 7.821 0.279 1 1 300 . 16 1 1 A 32 32 TYR HA H 31 4.520 4.171 0.349 1 1 307 . 16 1 1 A 32 32 TYR CA C 31 58.200 57.530 0.670 1 1 308 . 16 1 1 A 32 32 TYR N N 31 122.100 120.643 1.457 1 1 309 . 16 1 1 A 33 33 ILE HA H 32 4.070 4.292 -0.222 1 1 316 . 16 1 1 A 33 33 ILE CA C 32 58.200 61.109 -2.909 1 1 317 . 16 1 1 A 34 34 ASP H H 33 8.130 7.918 0.212 1 1 318 . 16 1 1 A 34 34 ASP HA H 33 4.380 3.870 0.510 1 1 321 . 16 1 1 A 34 34 ASP CA C 33 57.300 63.233 -5.933 1 1 322 . 16 1 1 A 34 34 ASP CB C 33 40.600 37.517 3.083 1 1 323 . 16 1 1 A 34 34 ASP N N 33 118.100 119.821 -1.721 1 1 324 . 16 1 1 A 35 35 ASN H H 34 7.790 8.002 -0.212 1 1 325 . 16 1 1 A 35 35 ASN HA H 34 4.520 4.417 0.103 1 1 330 . 16 1 1 A 35 35 ASN CA C 34 55.300 57.431 -2.131 1 1 331 . 16 1 1 A 35 35 ASN CB C 34 39.800 40.261 -0.461 1 1 332 . 16 1 1 A 35 35 ASN N N 34 115.600 122.440 -6.840 1 1 333 . 16 1 1 A 36 36 LEU HA H 35 3.750 4.420 -0.670 1 1 343 . 16 1 1 A 36 36 LEU CA C 35 56.300 56.834 -0.534 1 1 344 . 16 1 1 A 37 37 LEU HA H 36 4.280 4.080 0.200 1 1 354 . 16 1 1 A 37 37 LEU CA C 36 55.800 57.515 -1.715 1 1 355 . 16 1 1 A 37 37 LEU CB C 36 42.300 41.986 0.314 1 1 356 . 16 1 1 A 38 38 VAL H H 37 7.500 7.477 0.023 1 1 357 . 16 1 1 A 38 38 VAL HA H 37 4.070 4.591 -0.521 1 1 365 . 16 1 1 A 38 38 VAL CA C 37 62.800 53.808 8.992 1 1 366 . 16 1 1 A 38 38 VAL CB C 37 33.600 41.643 -8.043 1 1 367 . 16 1 1 A 38 38 VAL N N 37 115.900 112.288 3.612 1 1 368 . 16 1 1 A 39 39 ARG H H 38 7.920 7.923 -0.003 1 1 369 . 16 1 1 A 39 39 ARG HA H 38 4.360 4.480 -0.120 1 1 376 . 16 1 1 A 39 39 ARG CA C 38 60.500 60.205 0.295 1 1 377 . 16 1 1 A 39 39 ARG N N 38 121.300 118.509 2.791 1 1 378 . 16 1 1 A 40 40 VAL H H 39 8.000 8.417 -0.417 1 1 379 . 16 1 1 A 40 40 VAL HA H 39 4.180 4.489 -0.309 1 1 387 . 16 1 1 A 40 40 VAL CA C 39 62.600 56.324 6.276 1 1 388 . 16 1 1 A 40 40 VAL CB C 39 32.600 30.598 2.002 1 1 389 . 16 1 1 A 40 40 VAL N N 39 119.000 124.585 -5.585 1 1 390 . 16 1 1 A 41 41 MET H H 40 7.990 8.594 -0.604 1 1 391 . 16 1 1 A 41 41 MET HA H 40 4.550 4.751 -0.201 1 1 399 . 16 1 1 A 41 41 MET CA C 40 56.900 60.647 -3.747 1 1 400 . 16 1 1 A 41 41 MET CB C 40 33.700 33.471 0.229 1 1 6 . 17 1 1 A 3 3 LEU H H 2 8.530 8.608 -0.078 1 1 7 . 17 1 1 A 3 3 LEU HA H 2 4.700 4.515 0.185 1 1 17 . 17 1 1 A 3 3 LEU CA C 2 54.700 59.336 -4.636 1 1 18 . 17 1 1 A 3 3 LEU CB C 2 43.000 63.972 -20.972 1 1 19 . 17 1 1 A 3 3 LEU N N 2 123.300 121.978 1.322 1 1 20 . 17 1 1 A 4 4 THR H H 3 9.520 7.915 1.605 1 1 21 . 17 1 1 A 4 4 THR HA H 3 4.830 4.241 0.589 1 1 26 . 17 1 1 A 4 4 THR CA C 3 61.300 54.599 6.701 1 1 27 . 17 1 1 A 4 4 THR CB C 3 71.100 41.224 29.876 1 1 28 . 17 1 1 A 4 4 THR N N 3 116.200 116.367 -0.167 1 1 29 . 17 1 1 A 5 5 TYR H H 4 9.380 8.285 1.095 1 1 30 . 17 1 1 A 5 5 TYR HA H 4 4.120 4.606 -0.486 1 1 37 . 17 1 1 A 5 5 TYR CA C 4 62.300 60.873 1.427 1 1 38 . 17 1 1 A 5 5 TYR CB C 4 38.600 71.047 -32.447 1 1 39 . 17 1 1 A 5 5 TYR N N 4 121.600 109.999 11.601 1 1 40 . 17 1 1 A 6 6 GLU H H 5 9.000 9.073 -0.073 1 1 41 . 17 1 1 A 6 6 GLU HA H 5 3.900 4.153 -0.253 1 1 46 . 17 1 1 A 6 6 GLU CA C 5 60.500 62.469 -1.969 1 1 47 . 17 1 1 A 6 6 GLU CB C 5 28.700 39.357 -10.657 1 1 48 . 17 1 1 A 6 6 GLU N N 5 115.500 122.123 -6.623 1 1 49 . 17 1 1 A 7 7 GLU H H 6 7.920 8.293 -0.373 1 1 50 . 17 1 1 A 7 7 GLU HA H 6 4.060 4.044 0.016 1 1 55 . 17 1 1 A 7 7 GLU CA C 6 59.200 58.759 0.441 1 1 56 . 17 1 1 A 7 7 GLU CB C 6 30.400 29.141 1.259 1 1 57 . 17 1 1 A 7 7 GLU N N 6 118.900 118.558 0.342 1 1 58 . 17 1 1 A 8 8 VAL H H 7 8.590 8.566 0.024 1 1 59 . 17 1 1 A 8 8 VAL HA H 7 3.640 4.074 -0.434 1 1 67 . 17 1 1 A 8 8 VAL CA C 7 66.400 58.746 7.654 1 1 68 . 17 1 1 A 8 8 VAL CB C 7 30.800 29.517 1.283 1 1 69 . 17 1 1 A 8 8 VAL N N 7 119.300 119.965 -0.665 1 1 70 . 17 1 1 A 9 9 LEU H H 8 8.230 7.529 0.701 1 1 71 . 17 1 1 A 9 9 LEU HA H 8 3.870 3.794 0.076 1 1 81 . 17 1 1 A 9 9 LEU CA C 8 58.500 64.875 -6.375 1 1 82 . 17 1 1 A 9 9 LEU CB C 8 41.100 31.413 9.687 1 1 83 . 17 1 1 A 9 9 LEU N N 8 120.600 119.105 1.495 1 1 84 . 17 1 1 A 10 10 GLN H H 9 7.910 7.772 0.138 1 1 85 . 17 1 1 A 10 10 GLN HA H 9 4.090 3.721 0.369 1 1 92 . 17 1 1 A 10 10 GLN CA C 9 58.500 58.244 0.256 1 1 93 . 17 1 1 A 10 10 GLN CB C 9 27.900 41.332 -13.432 1 1 94 . 17 1 1 A 10 10 GLN N N 9 117.200 122.204 -5.004 1 1 96 . 17 1 1 A 11 11 GLU H H 10 8.200 7.784 0.416 1 1 97 . 17 1 1 A 11 11 GLU HA H 10 4.210 4.114 0.096 1 1 102 . 17 1 1 A 11 11 GLU CA C 10 58.700 58.558 0.142 1 1 103 . 17 1 1 A 11 11 GLU CB C 10 29.600 28.495 1.105 1 1 104 . 17 1 1 A 11 11 GLU N N 11 120.200 120.252 -0.052 1 1 105 . 17 1 1 A 12 12 LEU HA H 11 3.910 4.076 -0.166 1 1 115 . 17 1 1 A 12 12 LEU CA C 11 58.900 59.061 -0.161 1 1 116 . 17 1 1 A 12 12 LEU CB C 11 40.900 29.033 11.867 1 1 117 . 17 1 1 A 12 12 LEU N N 11 124.600 120.252 4.348 1 1 118 . 17 1 1 A 13 13 VAL H H 12 8.180 7.815 0.365 1 1 119 . 17 1 1 A 13 13 VAL HA H 12 3.500 3.911 -0.411 1 1 121 . 17 1 1 A 13 13 VAL CA C 12 67.300 57.975 9.325 1 1 122 . 17 1 1 A 13 13 VAL CB C 12 31.500 41.648 -10.148 1 1 123 . 17 1 1 A 13 13 VAL N N 12 120.300 121.909 -1.609 1 1 124 . 17 1 1 A 14 14 LYS H H 13 8.020 7.711 0.309 1 1 125 . 17 1 1 A 14 14 LYS HA H 13 4.080 3.660 0.420 1 1 132 . 17 1 1 A 14 14 LYS CA C 13 59.200 65.427 -6.227 1 1 133 . 17 1 1 A 14 14 LYS CB C 13 31.500 31.794 -0.294 1 1 134 . 17 1 1 A 14 14 LYS N N 13 118.700 118.598 0.102 1 1 135 . 17 1 1 A 15 15 HIS H H 14 8.580 7.738 0.842 1 1 136 . 17 1 1 A 15 15 HIS HA H 14 4.120 4.166 -0.046 1 1 141 . 17 1 1 A 15 15 HIS CA C 14 61.900 59.524 2.376 1 1 142 . 17 1 1 A 15 15 HIS CB C 14 32.000 32.159 -0.159 1 1 143 . 17 1 1 A 15 15 HIS N N 14 117.800 121.769 -3.969 1 1 144 . 17 1 1 A 16 16 LYS H H 15 8.670 7.434 1.236 1 1 145 . 17 1 1 A 16 16 LYS HA H 15 4.220 4.352 -0.132 1 1 154 . 17 1 1 A 16 16 LYS N N 15 120.300 117.968 2.332 1 1 155 . 17 1 1 A 17 17 GLU H H 16 7.910 8.221 -0.311 1 1 156 . 17 1 1 A 17 17 GLU HA H 16 4.160 4.033 0.127 1 1 159 . 17 1 1 A 17 17 GLU N N 16 120.000 119.504 0.496 1 1 160 . 17 1 1 A 18 18 LEU H H 17 8.370 8.290 0.080 1 1 161 . 17 1 1 A 18 18 LEU HA H 17 4.670 4.181 0.489 1 1 171 . 17 1 1 A 18 18 LEU CB C 17 37.300 29.548 7.752 1 1 172 . 17 1 1 A 18 18 LEU N N 17 121.200 120.116 1.084 1 1 173 . 17 1 1 A 19 19 LEU H H 18 8.450 8.490 -0.040 1 1 174 . 17 1 1 A 19 19 LEU HA H 18 3.880 4.005 -0.125 1 1 184 . 17 1 1 A 19 19 LEU N N 18 119.300 120.391 -1.091 1 1 185 . 17 1 1 A 20 20 ARG H H 19 7.620 7.993 -0.373 1 1 186 . 17 1 1 A 20 20 ARG HA H 19 4.240 3.908 0.332 1 1 193 . 17 1 1 A 20 20 ARG CA C 19 59.300 57.621 1.679 1 1 194 . 17 1 1 A 20 20 ARG CB C 19 29.800 41.060 -11.260 1 1 195 . 17 1 1 A 20 20 ARG N N 19 117.900 118.268 -0.368 1 1 196 . 17 1 1 A 21 21 ARG H H 20 8.000 7.998 0.002 1 1 197 . 17 1 1 A 21 21 ARG HA H 20 4.120 3.971 0.149 1 1 204 . 17 1 1 A 21 21 ARG CA C 20 59.200 59.949 -0.749 1 1 205 . 17 1 1 A 21 21 ARG CB C 20 29.400 29.646 -0.246 1 1 206 . 17 1 1 A 21 21 ARG N N 20 118.300 119.650 -1.350 1 1 207 . 17 1 1 A 22 22 LYS H H 21 8.600 7.716 0.884 1 1 208 . 17 1 1 A 22 22 LYS HA H 21 4.210 4.003 0.207 1 1 217 . 17 1 1 A 22 22 LYS CA C 21 59.000 59.092 -0.092 1 1 218 . 17 1 1 A 22 22 LYS CB C 21 29.400 30.014 -0.614 1 1 219 . 17 1 1 A 22 22 LYS N N 21 120.900 119.033 1.867 1 1 220 . 17 1 1 A 23 23 ASP H H 22 8.560 7.607 0.953 1 1 221 . 17 1 1 A 23 23 ASP HA H 22 4.650 4.026 0.624 1 1 224 . 17 1 1 A 23 23 ASP CA C 22 57.300 59.715 -2.415 1 1 225 . 17 1 1 A 23 23 ASP CB C 22 40.200 32.156 8.044 1 1 226 . 17 1 1 A 23 23 ASP N N 22 119.500 119.197 0.303 1 1 227 . 17 1 1 A 24 24 THR H H 23 8.240 7.968 0.272 1 1 228 . 17 1 1 A 24 24 THR HA H 23 4.380 4.453 -0.073 1 1 233 . 17 1 1 A 24 24 THR CA C 23 66.600 57.041 9.559 1 1 234 . 17 1 1 A 24 24 THR CB C 23 68.400 40.927 27.473 1 1 235 . 17 1 1 A 24 24 THR N N 23 117.800 119.772 -1.972 1 1 236 . 17 1 1 A 25 25 HIS H H 24 7.970 7.931 0.039 1 1 237 . 17 1 1 A 25 25 HIS HA H 24 4.600 3.955 0.645 1 1 241 . 17 1 1 A 25 25 HIS CA C 24 57.000 66.515 -9.515 1 1 242 . 17 1 1 A 25 25 HIS CB C 24 32.000 68.808 -36.808 1 1 243 . 17 1 1 A 25 25 HIS N N 24 122.100 114.905 7.195 1 1 244 . 17 1 1 A 26 26 ILE H H 25 8.760 8.524 0.236 1 1 245 . 17 1 1 A 26 26 ILE HA H 25 4.020 4.364 -0.344 1 1 252 . 17 1 1 A 26 26 ILE CA C 25 61.300 60.260 1.040 1 1 253 . 17 1 1 A 26 26 ILE CB C 25 37.900 30.394 7.506 1 1 254 . 17 1 1 A 26 26 ILE N N 25 119.100 122.298 -3.198 1 1 255 . 17 1 1 A 27 27 ARG H H 26 7.820 7.697 0.123 1 1 256 . 17 1 1 A 27 27 ARG HA H 26 4.210 3.641 0.569 1 1 263 . 17 1 1 A 27 27 ARG CA C 26 58.700 64.744 -6.044 1 1 264 . 17 1 1 A 27 27 ARG CB C 26 29.400 37.730 -8.330 1 1 265 . 17 1 1 A 27 27 ARG N N 26 118.300 117.509 0.791 1 1 266 . 17 1 1 A 28 28 GLU H H 27 8.020 8.439 -0.419 1 1 267 . 17 1 1 A 28 28 GLU HA H 27 4.140 3.875 0.265 1 1 272 . 17 1 1 A 28 28 GLU CA C 27 60.500 60.438 0.062 1 1 273 . 17 1 1 A 28 28 GLU N N 27 118.600 121.985 -3.385 1 1 274 . 17 1 1 A 29 29 LEU H H 28 8.370 8.353 0.017 1 1 275 . 17 1 1 A 29 29 LEU HA H 28 4.250 4.054 0.196 1 1 285 . 17 1 1 A 29 29 LEU N N 28 121.200 117.305 3.895 1 1 286 . 17 1 1 A 30 30 GLU H H 29 8.910 8.457 0.453 1 1 287 . 17 1 1 A 30 30 GLU HA H 29 4.180 4.055 0.125 1 1 290 . 17 1 1 A 30 30 GLU CA C 29 60.100 56.833 3.267 1 1 291 . 17 1 1 A 30 30 GLU CB C 29 29.200 41.260 -12.060 1 1 292 . 17 1 1 A 30 30 GLU N N 29 119.000 121.713 -2.713 1 1 293 . 17 1 1 A 31 31 ASP H H 30 8.580 8.043 0.537 1 1 294 . 17 1 1 A 31 31 ASP HA H 30 4.420 4.089 0.331 1 1 297 . 17 1 1 A 31 31 ASP CA C 30 57.000 59.153 -2.153 1 1 298 . 17 1 1 A 31 31 ASP N N 30 119.400 119.637 -0.237 1 1 299 . 17 1 1 A 32 32 TYR H H 31 8.100 7.954 0.146 1 1 300 . 17 1 1 A 32 32 TYR HA H 31 4.520 4.619 -0.099 1 1 307 . 17 1 1 A 32 32 TYR CA C 31 58.200 57.346 0.854 1 1 308 . 17 1 1 A 32 32 TYR N N 31 122.100 120.065 2.035 1 1 309 . 17 1 1 A 33 33 ILE HA H 32 4.070 4.270 -0.200 1 1 316 . 17 1 1 A 33 33 ILE CA C 32 58.200 61.311 -3.111 1 1 317 . 17 1 1 A 34 34 ASP H H 33 8.130 7.810 0.320 1 1 318 . 17 1 1 A 34 34 ASP HA H 33 4.380 4.012 0.368 1 1 321 . 17 1 1 A 34 34 ASP CA C 33 57.300 62.166 -4.866 1 1 322 . 17 1 1 A 34 34 ASP CB C 33 40.600 37.838 2.762 1 1 323 . 17 1 1 A 34 34 ASP N N 33 118.100 120.225 -2.125 1 1 324 . 17 1 1 A 35 35 ASN H H 34 7.790 7.955 -0.165 1 1 325 . 17 1 1 A 35 35 ASN HA H 34 4.520 4.370 0.150 1 1 330 . 17 1 1 A 35 35 ASN CA C 34 55.300 57.361 -2.061 1 1 331 . 17 1 1 A 35 35 ASN CB C 34 39.800 40.202 -0.402 1 1 332 . 17 1 1 A 35 35 ASN N N 34 115.600 122.595 -6.995 1 1 333 . 17 1 1 A 36 36 LEU HA H 35 3.750 4.398 -0.648 1 1 343 . 17 1 1 A 36 36 LEU CA C 35 56.300 56.743 -0.443 1 1 344 . 17 1 1 A 37 37 LEU HA H 36 4.280 4.063 0.217 1 1 354 . 17 1 1 A 37 37 LEU CA C 36 55.800 57.400 -1.600 1 1 355 . 17 1 1 A 37 37 LEU CB C 36 42.300 42.181 0.119 1 1 356 . 17 1 1 A 38 38 VAL H H 37 7.500 7.454 0.046 1 1 357 . 17 1 1 A 38 38 VAL HA H 37 4.070 4.580 -0.510 1 1 365 . 17 1 1 A 38 38 VAL CA C 37 62.800 53.800 9.000 1 1 366 . 17 1 1 A 38 38 VAL CB C 37 33.600 41.634 -8.034 1 1 367 . 17 1 1 A 38 38 VAL N N 37 115.900 112.276 3.624 1 1 368 . 17 1 1 A 39 39 ARG H H 38 7.920 7.958 -0.038 1 1 369 . 17 1 1 A 39 39 ARG HA H 38 4.360 4.500 -0.140 1 1 376 . 17 1 1 A 39 39 ARG CA C 38 60.500 60.052 0.448 1 1 377 . 17 1 1 A 39 39 ARG N N 38 121.300 119.216 2.084 1 1 378 . 17 1 1 A 40 40 VAL H H 39 8.000 8.423 -0.423 1 1 379 . 17 1 1 A 40 40 VAL HA H 39 4.180 4.478 -0.298 1 1 387 . 17 1 1 A 40 40 VAL CA C 39 62.600 56.189 6.411 1 1 388 . 17 1 1 A 40 40 VAL CB C 39 32.600 30.666 1.934 1 1 389 . 17 1 1 A 40 40 VAL N N 39 119.000 124.792 -5.792 1 1 390 . 17 1 1 A 41 41 MET H H 40 7.990 8.544 -0.554 1 1 391 . 17 1 1 A 41 41 MET HA H 40 4.550 4.630 -0.080 1 1 399 . 17 1 1 A 41 41 MET CA C 40 56.900 60.990 -4.090 1 1 400 . 17 1 1 A 41 41 MET CB C 40 33.700 32.949 0.751 1 1 6 . 18 1 1 A 3 3 LEU H H 2 8.530 8.376 0.154 1 1 7 . 18 1 1 A 3 3 LEU HA H 2 4.700 4.492 0.208 1 1 17 . 18 1 1 A 3 3 LEU CA C 2 54.700 60.345 -5.645 1 1 18 . 18 1 1 A 3 3 LEU CB C 2 43.000 64.073 -21.073 1 1 19 . 18 1 1 A 3 3 LEU N N 2 123.300 119.848 3.452 1 1 20 . 18 1 1 A 4 4 THR H H 3 9.520 7.822 1.698 1 1 21 . 18 1 1 A 4 4 THR HA H 3 4.830 4.288 0.542 1 1 26 . 18 1 1 A 4 4 THR CA C 3 61.300 54.715 6.585 1 1 27 . 18 1 1 A 4 4 THR CB C 3 71.100 41.033 30.067 1 1 28 . 18 1 1 A 4 4 THR N N 3 116.200 116.669 -0.469 1 1 29 . 18 1 1 A 5 5 TYR H H 4 9.380 8.618 0.762 1 1 30 . 18 1 1 A 5 5 TYR HA H 4 4.120 4.637 -0.517 1 1 37 . 18 1 1 A 5 5 TYR CA C 4 62.300 60.911 1.389 1 1 38 . 18 1 1 A 5 5 TYR CB C 4 38.600 70.933 -32.333 1 1 39 . 18 1 1 A 5 5 TYR N N 4 121.600 111.248 10.352 1 1 40 . 18 1 1 A 6 6 GLU H H 5 9.000 9.062 -0.062 1 1 41 . 18 1 1 A 6 6 GLU HA H 5 3.900 4.113 -0.213 1 1 46 . 18 1 1 A 6 6 GLU CA C 5 60.500 62.563 -2.063 1 1 47 . 18 1 1 A 6 6 GLU CB C 5 28.700 39.317 -10.617 1 1 48 . 18 1 1 A 6 6 GLU N N 5 115.500 122.125 -6.625 1 1 49 . 18 1 1 A 7 7 GLU H H 6 7.920 8.561 -0.641 1 1 50 . 18 1 1 A 7 7 GLU HA H 6 4.060 4.042 0.018 1 1 55 . 18 1 1 A 7 7 GLU CA C 6 59.200 59.785 -0.585 1 1 56 . 18 1 1 A 7 7 GLU CB C 6 30.400 29.315 1.085 1 1 57 . 18 1 1 A 7 7 GLU N N 6 118.900 118.351 0.549 1 1 58 . 18 1 1 A 8 8 VAL H H 7 8.590 7.945 0.645 1 1 59 . 18 1 1 A 8 8 VAL HA H 7 3.640 4.284 -0.644 1 1 67 . 18 1 1 A 8 8 VAL CA C 7 66.400 58.273 8.127 1 1 68 . 18 1 1 A 8 8 VAL CB C 7 30.800 30.218 0.582 1 1 69 . 18 1 1 A 8 8 VAL N N 7 119.300 119.901 -0.601 1 1 70 . 18 1 1 A 9 9 LEU H H 8 8.230 8.226 0.004 1 1 71 . 18 1 1 A 9 9 LEU HA H 8 3.870 3.623 0.247 1 1 81 . 18 1 1 A 9 9 LEU CA C 8 58.500 65.305 -6.805 1 1 82 . 18 1 1 A 9 9 LEU CB C 8 41.100 31.709 9.391 1 1 83 . 18 1 1 A 9 9 LEU N N 8 120.600 119.152 1.448 1 1 84 . 18 1 1 A 10 10 GLN H H 9 7.910 7.525 0.385 1 1 85 . 18 1 1 A 10 10 GLN HA H 9 4.090 3.782 0.308 1 1 92 . 18 1 1 A 10 10 GLN CA C 9 58.500 57.848 0.652 1 1 93 . 18 1 1 A 10 10 GLN CB C 9 27.900 40.477 -12.577 1 1 94 . 18 1 1 A 10 10 GLN N N 9 117.200 120.458 -3.258 1 1 96 . 18 1 1 A 11 11 GLU H H 10 8.200 8.212 -0.012 1 1 97 . 18 1 1 A 11 11 GLU HA H 10 4.210 3.871 0.339 1 1 102 . 18 1 1 A 11 11 GLU CA C 10 58.700 59.164 -0.464 1 1 103 . 18 1 1 A 11 11 GLU CB C 10 29.600 28.249 1.351 1 1 104 . 18 1 1 A 11 11 GLU N N 11 120.200 119.872 0.328 1 1 105 . 18 1 1 A 12 12 LEU HA H 11 3.910 4.030 -0.120 1 1 115 . 18 1 1 A 12 12 LEU CA C 11 58.900 58.869 0.031 1 1 116 . 18 1 1 A 12 12 LEU CB C 11 40.900 29.061 11.839 1 1 117 . 18 1 1 A 12 12 LEU N N 11 124.600 119.872 4.728 1 1 118 . 18 1 1 A 13 13 VAL H H 12 8.180 7.575 0.605 1 1 119 . 18 1 1 A 13 13 VAL HA H 12 3.500 3.750 -0.250 1 1 121 . 18 1 1 A 13 13 VAL CA C 12 67.300 58.086 9.214 1 1 122 . 18 1 1 A 13 13 VAL CB C 12 31.500 41.888 -10.388 1 1 123 . 18 1 1 A 13 13 VAL N N 12 120.300 120.885 -0.585 1 1 124 . 18 1 1 A 14 14 LYS H H 13 8.020 7.771 0.249 1 1 125 . 18 1 1 A 14 14 LYS HA H 13 4.080 3.690 0.390 1 1 132 . 18 1 1 A 14 14 LYS CA C 13 59.200 65.316 -6.116 1 1 133 . 18 1 1 A 14 14 LYS CB C 13 31.500 31.427 0.073 1 1 134 . 18 1 1 A 14 14 LYS N N 13 118.700 117.819 0.881 1 1 135 . 18 1 1 A 15 15 HIS H H 14 8.580 7.549 1.031 1 1 136 . 18 1 1 A 15 15 HIS HA H 14 4.120 3.966 0.154 1 1 141 . 18 1 1 A 15 15 HIS CA C 14 61.900 59.534 2.366 1 1 142 . 18 1 1 A 15 15 HIS CB C 14 32.000 32.495 -0.495 1 1 143 . 18 1 1 A 15 15 HIS N N 14 117.800 122.059 -4.259 1 1 144 . 18 1 1 A 16 16 LYS H H 15 8.670 7.970 0.700 1 1 145 . 18 1 1 A 16 16 LYS HA H 15 4.220 4.238 -0.018 1 1 154 . 18 1 1 A 16 16 LYS N N 15 120.300 118.462 1.838 1 1 155 . 18 1 1 A 17 17 GLU H H 16 7.910 8.098 -0.188 1 1 156 . 18 1 1 A 17 17 GLU HA H 16 4.160 3.859 0.301 1 1 159 . 18 1 1 A 17 17 GLU N N 16 120.000 118.975 1.025 1 1 160 . 18 1 1 A 18 18 LEU H H 17 8.370 9.027 -0.657 1 1 161 . 18 1 1 A 18 18 LEU HA H 17 4.670 4.126 0.544 1 1 171 . 18 1 1 A 18 18 LEU CB C 17 37.300 28.037 9.263 1 1 172 . 18 1 1 A 18 18 LEU N N 17 121.200 118.288 2.912 1 1 173 . 18 1 1 A 19 19 LEU H H 18 8.450 7.809 0.641 1 1 174 . 18 1 1 A 19 19 LEU HA H 18 3.880 4.112 -0.232 1 1 184 . 18 1 1 A 19 19 LEU N N 18 119.300 121.996 -2.696 1 1 185 . 18 1 1 A 20 20 ARG H H 19 7.620 7.659 -0.039 1 1 186 . 18 1 1 A 20 20 ARG HA H 19 4.240 4.128 0.112 1 1 193 . 18 1 1 A 20 20 ARG CA C 19 59.300 56.498 2.802 1 1 194 . 18 1 1 A 20 20 ARG CB C 19 29.800 41.717 -11.917 1 1 195 . 18 1 1 A 20 20 ARG N N 19 117.900 120.125 -2.225 1 1 196 . 18 1 1 A 21 21 ARG H H 20 8.000 7.892 0.108 1 1 197 . 18 1 1 A 21 21 ARG HA H 20 4.120 4.015 0.105 1 1 204 . 18 1 1 A 21 21 ARG CA C 20 59.200 59.855 -0.655 1 1 205 . 18 1 1 A 21 21 ARG CB C 20 29.400 29.992 -0.592 1 1 206 . 18 1 1 A 21 21 ARG N N 20 118.300 120.243 -1.943 1 1 207 . 18 1 1 A 22 22 LYS H H 21 8.600 8.002 0.598 1 1 208 . 18 1 1 A 22 22 LYS HA H 21 4.210 4.038 0.172 1 1 217 . 18 1 1 A 22 22 LYS CA C 21 59.000 59.267 -0.267 1 1 218 . 18 1 1 A 22 22 LYS CB C 21 29.400 30.057 -0.657 1 1 219 . 18 1 1 A 22 22 LYS N N 21 120.900 119.741 1.159 1 1 220 . 18 1 1 A 23 23 ASP H H 22 8.560 7.578 0.982 1 1 221 . 18 1 1 A 23 23 ASP HA H 22 4.650 4.025 0.625 1 1 224 . 18 1 1 A 23 23 ASP CA C 22 57.300 59.569 -2.269 1 1 225 . 18 1 1 A 23 23 ASP CB C 22 40.200 32.123 8.077 1 1 226 . 18 1 1 A 23 23 ASP N N 22 119.500 118.949 0.551 1 1 227 . 18 1 1 A 24 24 THR H H 23 8.240 7.745 0.495 1 1 228 . 18 1 1 A 24 24 THR HA H 23 4.380 4.508 -0.128 1 1 233 . 18 1 1 A 24 24 THR CA C 23 66.600 56.964 9.636 1 1 234 . 18 1 1 A 24 24 THR CB C 23 68.400 40.902 27.498 1 1 235 . 18 1 1 A 24 24 THR N N 23 117.800 119.290 -1.490 1 1 236 . 18 1 1 A 25 25 HIS H H 24 7.970 7.816 0.154 1 1 237 . 18 1 1 A 25 25 HIS HA H 24 4.600 4.005 0.595 1 1 241 . 18 1 1 A 25 25 HIS CA C 24 57.000 65.640 -8.640 1 1 242 . 18 1 1 A 25 25 HIS CB C 24 32.000 68.487 -36.487 1 1 243 . 18 1 1 A 25 25 HIS N N 24 122.100 117.355 4.745 1 1 244 . 18 1 1 A 26 26 ILE H H 25 8.760 7.960 0.800 1 1 245 . 18 1 1 A 26 26 ILE HA H 25 4.020 4.411 -0.391 1 1 252 . 18 1 1 A 26 26 ILE CA C 25 61.300 59.803 1.497 1 1 253 . 18 1 1 A 26 26 ILE CB C 25 37.900 30.237 7.663 1 1 254 . 18 1 1 A 26 26 ILE N N 25 119.100 120.603 -1.503 1 1 255 . 18 1 1 A 27 27 ARG H H 26 7.820 7.559 0.261 1 1 256 . 18 1 1 A 27 27 ARG HA H 26 4.210 3.840 0.370 1 1 263 . 18 1 1 A 27 27 ARG CA C 26 58.700 64.636 -5.936 1 1 264 . 18 1 1 A 27 27 ARG CB C 26 29.400 37.247 -7.847 1 1 265 . 18 1 1 A 27 27 ARG N N 26 118.300 116.701 1.599 1 1 266 . 18 1 1 A 28 28 GLU H H 27 8.020 8.247 -0.227 1 1 267 . 18 1 1 A 28 28 GLU HA H 27 4.140 3.907 0.233 1 1 272 . 18 1 1 A 28 28 GLU CA C 27 60.500 59.800 0.700 1 1 273 . 18 1 1 A 28 28 GLU N N 27 118.600 121.245 -2.645 1 1 274 . 18 1 1 A 29 29 LEU H H 28 8.370 8.254 0.116 1 1 275 . 18 1 1 A 29 29 LEU HA H 28 4.250 3.924 0.326 1 1 285 . 18 1 1 A 29 29 LEU N N 28 121.200 117.965 3.235 1 1 286 . 18 1 1 A 30 30 GLU H H 29 8.910 7.736 1.174 1 1 287 . 18 1 1 A 30 30 GLU HA H 29 4.180 4.183 -0.003 1 1 290 . 18 1 1 A 30 30 GLU CA C 29 60.100 57.898 2.202 1 1 291 . 18 1 1 A 30 30 GLU CB C 29 29.200 41.746 -12.546 1 1 292 . 18 1 1 A 30 30 GLU N N 29 119.000 122.885 -3.885 1 1 293 . 18 1 1 A 31 31 ASP H H 30 8.580 8.536 0.044 1 1 294 . 18 1 1 A 31 31 ASP HA H 30 4.420 3.991 0.429 1 1 297 . 18 1 1 A 31 31 ASP CA C 30 57.000 59.772 -2.772 1 1 298 . 18 1 1 A 31 31 ASP N N 30 119.400 117.717 1.683 1 1 299 . 18 1 1 A 32 32 TYR H H 31 8.100 7.925 0.175 1 1 300 . 18 1 1 A 32 32 TYR HA H 31 4.520 4.256 0.264 1 1 307 . 18 1 1 A 32 32 TYR CA C 31 58.200 56.571 1.629 1 1 308 . 18 1 1 A 32 32 TYR N N 31 122.100 119.466 2.634 1 1 309 . 18 1 1 A 33 33 ILE HA H 32 4.070 4.325 -0.255 1 1 316 . 18 1 1 A 33 33 ILE CA C 32 58.200 61.184 -2.984 1 1 317 . 18 1 1 A 34 34 ASP H H 33 8.130 7.549 0.581 1 1 318 . 18 1 1 A 34 34 ASP HA H 33 4.380 4.091 0.289 1 1 321 . 18 1 1 A 34 34 ASP CA C 33 57.300 63.176 -5.876 1 1 322 . 18 1 1 A 34 34 ASP CB C 33 40.600 37.736 2.864 1 1 323 . 18 1 1 A 34 34 ASP N N 33 118.100 114.553 3.547 1 1 324 . 18 1 1 A 35 35 ASN H H 34 7.790 7.947 -0.157 1 1 325 . 18 1 1 A 35 35 ASN HA H 34 4.520 4.442 0.078 1 1 330 . 18 1 1 A 35 35 ASN CA C 34 55.300 57.165 -1.865 1 1 331 . 18 1 1 A 35 35 ASN CB C 34 39.800 40.323 -0.523 1 1 332 . 18 1 1 A 35 35 ASN N N 34 115.600 123.444 -7.844 1 1 333 . 18 1 1 A 36 36 LEU HA H 35 3.750 4.563 -0.813 1 1 343 . 18 1 1 A 36 36 LEU CA C 35 56.300 56.640 -0.340 1 1 344 . 18 1 1 A 37 37 LEU HA H 36 4.280 4.086 0.194 1 1 354 . 18 1 1 A 37 37 LEU CA C 36 55.800 57.896 -2.096 1 1 355 . 18 1 1 A 37 37 LEU CB C 36 42.300 41.799 0.501 1 1 356 . 18 1 1 A 38 38 VAL H H 37 7.500 7.519 -0.019 1 1 357 . 18 1 1 A 38 38 VAL HA H 37 4.070 4.564 -0.494 1 1 365 . 18 1 1 A 38 38 VAL CA C 37 62.800 53.952 8.848 1 1 366 . 18 1 1 A 38 38 VAL CB C 37 33.600 41.593 -7.993 1 1 367 . 18 1 1 A 38 38 VAL N N 37 115.900 112.135 3.765 1 1 368 . 18 1 1 A 39 39 ARG H H 38 7.920 7.815 0.105 1 1 369 . 18 1 1 A 39 39 ARG HA H 38 4.360 4.391 -0.031 1 1 376 . 18 1 1 A 39 39 ARG CA C 38 60.500 60.923 -0.423 1 1 377 . 18 1 1 A 39 39 ARG N N 38 121.300 118.760 2.540 1 1 378 . 18 1 1 A 40 40 VAL H H 39 8.000 8.425 -0.425 1 1 379 . 18 1 1 A 40 40 VAL HA H 39 4.180 4.288 -0.108 1 1 387 . 18 1 1 A 40 40 VAL CA C 39 62.600 56.837 5.763 1 1 388 . 18 1 1 A 40 40 VAL CB C 39 32.600 30.733 1.867 1 1 389 . 18 1 1 A 40 40 VAL N N 39 119.000 125.258 -6.258 1 1 390 . 18 1 1 A 41 41 MET H H 40 7.990 8.639 -0.649 1 1 391 . 18 1 1 A 41 41 MET HA H 40 4.550 4.968 -0.418 1 1 399 . 18 1 1 A 41 41 MET CA C 40 56.900 60.003 -3.103 1 1 400 . 18 1 1 A 41 41 MET CB C 40 33.700 34.014 -0.314 1 1 6 . 19 1 1 A 3 3 LEU H H 2 8.530 8.633 -0.103 1 1 7 . 19 1 1 A 3 3 LEU HA H 2 4.700 4.490 0.210 1 1 17 . 19 1 1 A 3 3 LEU CA C 2 54.700 60.861 -6.161 1 1 18 . 19 1 1 A 3 3 LEU CB C 2 43.000 63.758 -20.758 1 1 19 . 19 1 1 A 3 3 LEU N N 2 123.300 121.992 1.308 1 1 20 . 19 1 1 A 4 4 THR H H 3 9.520 7.736 1.784 1 1 21 . 19 1 1 A 4 4 THR HA H 3 4.830 4.299 0.531 1 1 26 . 19 1 1 A 4 4 THR CA C 3 61.300 54.776 6.524 1 1 27 . 19 1 1 A 4 4 THR CB C 3 71.100 41.058 30.042 1 1 28 . 19 1 1 A 4 4 THR N N 3 116.200 116.561 -0.361 1 1 29 . 19 1 1 A 5 5 TYR H H 4 9.380 8.569 0.811 1 1 30 . 19 1 1 A 5 5 TYR HA H 4 4.120 4.644 -0.524 1 1 37 . 19 1 1 A 5 5 TYR CA C 4 62.300 60.897 1.403 1 1 38 . 19 1 1 A 5 5 TYR CB C 4 38.600 71.077 -32.477 1 1 39 . 19 1 1 A 5 5 TYR N N 4 121.600 112.026 9.574 1 1 40 . 19 1 1 A 6 6 GLU H H 5 9.000 9.082 -0.082 1 1 41 . 19 1 1 A 6 6 GLU HA H 5 3.900 4.124 -0.224 1 1 46 . 19 1 1 A 6 6 GLU CA C 5 60.500 62.245 -1.745 1 1 47 . 19 1 1 A 6 6 GLU CB C 5 28.700 38.932 -10.232 1 1 48 . 19 1 1 A 6 6 GLU N N 5 115.500 122.132 -6.632 1 1 49 . 19 1 1 A 7 7 GLU H H 6 7.920 8.393 -0.473 1 1 50 . 19 1 1 A 7 7 GLU HA H 6 4.060 3.764 0.296 1 1 55 . 19 1 1 A 7 7 GLU CA C 6 59.200 59.662 -0.462 1 1 56 . 19 1 1 A 7 7 GLU CB C 6 30.400 29.087 1.313 1 1 57 . 19 1 1 A 7 7 GLU N N 6 118.900 119.520 -0.620 1 1 58 . 19 1 1 A 8 8 VAL H H 7 8.590 7.974 0.616 1 1 59 . 19 1 1 A 8 8 VAL HA H 7 3.640 4.102 -0.462 1 1 67 . 19 1 1 A 8 8 VAL CA C 7 66.400 58.717 7.683 1 1 68 . 19 1 1 A 8 8 VAL CB C 7 30.800 29.385 1.415 1 1 69 . 19 1 1 A 8 8 VAL N N 7 119.300 119.330 -0.030 1 1 70 . 19 1 1 A 9 9 LEU H H 8 8.230 7.787 0.443 1 1 71 . 19 1 1 A 9 9 LEU HA H 8 3.870 3.893 -0.023 1 1 81 . 19 1 1 A 9 9 LEU CA C 8 58.500 64.924 -6.424 1 1 82 . 19 1 1 A 9 9 LEU CB C 8 41.100 31.709 9.391 1 1 83 . 19 1 1 A 9 9 LEU N N 8 120.600 119.135 1.465 1 1 84 . 19 1 1 A 10 10 GLN H H 9 7.910 7.581 0.329 1 1 85 . 19 1 1 A 10 10 GLN HA H 9 4.090 3.775 0.315 1 1 92 . 19 1 1 A 10 10 GLN CA C 9 58.500 58.108 0.392 1 1 93 . 19 1 1 A 10 10 GLN CB C 9 27.900 41.643 -13.743 1 1 94 . 19 1 1 A 10 10 GLN N N 9 117.200 121.411 -4.211 1 1 96 . 19 1 1 A 11 11 GLU H H 10 8.200 8.166 0.034 1 1 97 . 19 1 1 A 11 11 GLU HA H 10 4.210 3.845 0.365 1 1 102 . 19 1 1 A 11 11 GLU CA C 10 58.700 59.155 -0.455 1 1 103 . 19 1 1 A 11 11 GLU CB C 10 29.600 28.103 1.497 1 1 104 . 19 1 1 A 11 11 GLU N N 11 120.200 119.993 0.207 1 1 105 . 19 1 1 A 12 12 LEU HA H 11 3.910 3.938 -0.028 1 1 115 . 19 1 1 A 12 12 LEU CA C 11 58.900 59.164 -0.264 1 1 116 . 19 1 1 A 12 12 LEU CB C 11 40.900 29.416 11.484 1 1 117 . 19 1 1 A 12 12 LEU N N 11 124.600 119.993 4.607 1 1 118 . 19 1 1 A 13 13 VAL H H 12 8.180 7.531 0.649 1 1 119 . 19 1 1 A 13 13 VAL HA H 12 3.500 3.847 -0.347 1 1 121 . 19 1 1 A 13 13 VAL CA C 12 67.300 58.102 9.198 1 1 122 . 19 1 1 A 13 13 VAL CB C 12 31.500 41.994 -10.494 1 1 123 . 19 1 1 A 13 13 VAL N N 12 120.300 121.441 -1.141 1 1 124 . 19 1 1 A 14 14 LYS H H 13 8.020 7.675 0.345 1 1 125 . 19 1 1 A 14 14 LYS HA H 13 4.080 3.705 0.375 1 1 132 . 19 1 1 A 14 14 LYS CA C 13 59.200 65.339 -6.139 1 1 133 . 19 1 1 A 14 14 LYS CB C 13 31.500 31.447 0.053 1 1 134 . 19 1 1 A 14 14 LYS N N 13 118.700 118.111 0.589 1 1 135 . 19 1 1 A 15 15 HIS H H 14 8.580 8.253 0.327 1 1 136 . 19 1 1 A 15 15 HIS HA H 14 4.120 4.051 0.069 1 1 141 . 19 1 1 A 15 15 HIS CA C 14 61.900 59.529 2.371 1 1 142 . 19 1 1 A 15 15 HIS CB C 14 32.000 32.747 -0.747 1 1 143 . 19 1 1 A 15 15 HIS N N 14 117.800 121.295 -3.495 1 1 144 . 19 1 1 A 16 16 LYS H H 15 8.670 8.057 0.613 1 1 145 . 19 1 1 A 16 16 LYS HA H 15 4.220 4.299 -0.079 1 1 154 . 19 1 1 A 16 16 LYS N N 15 120.300 117.866 2.434 1 1 155 . 19 1 1 A 17 17 GLU H H 16 7.910 7.826 0.084 1 1 156 . 19 1 1 A 17 17 GLU HA H 16 4.160 4.103 0.057 1 1 159 . 19 1 1 A 17 17 GLU N N 16 120.000 118.957 1.043 1 1 160 . 19 1 1 A 18 18 LEU H H 17 8.370 8.466 -0.096 1 1 161 . 19 1 1 A 18 18 LEU HA H 17 4.670 4.096 0.574 1 1 171 . 19 1 1 A 18 18 LEU CB C 17 37.300 28.934 8.366 1 1 172 . 19 1 1 A 18 18 LEU N N 17 121.200 117.967 3.233 1 1 173 . 19 1 1 A 19 19 LEU H H 18 8.450 7.953 0.497 1 1 174 . 19 1 1 A 19 19 LEU HA H 18 3.880 4.112 -0.232 1 1 184 . 19 1 1 A 19 19 LEU N N 18 119.300 121.443 -2.143 1 1 185 . 19 1 1 A 20 20 ARG H H 19 7.620 7.838 -0.218 1 1 186 . 19 1 1 A 20 20 ARG HA H 19 4.240 4.105 0.135 1 1 193 . 19 1 1 A 20 20 ARG CA C 19 59.300 56.619 2.681 1 1 194 . 19 1 1 A 20 20 ARG CB C 19 29.800 41.916 -12.116 1 1 195 . 19 1 1 A 20 20 ARG N N 19 117.900 120.404 -2.504 1 1 196 . 19 1 1 A 21 21 ARG H H 20 8.000 8.278 -0.278 1 1 197 . 19 1 1 A 21 21 ARG HA H 20 4.120 4.042 0.078 1 1 204 . 19 1 1 A 21 21 ARG CA C 20 59.200 59.776 -0.576 1 1 205 . 19 1 1 A 21 21 ARG CB C 20 29.400 30.075 -0.675 1 1 206 . 19 1 1 A 21 21 ARG N N 20 118.300 120.290 -1.990 1 1 207 . 19 1 1 A 22 22 LYS H H 21 8.600 7.767 0.833 1 1 208 . 19 1 1 A 22 22 LYS HA H 21 4.210 4.027 0.183 1 1 217 . 19 1 1 A 22 22 LYS CA C 21 59.000 59.181 -0.181 1 1 218 . 19 1 1 A 22 22 LYS CB C 21 29.400 29.827 -0.427 1 1 219 . 19 1 1 A 22 22 LYS N N 21 120.900 119.818 1.082 1 1 220 . 19 1 1 A 23 23 ASP H H 22 8.560 7.532 1.028 1 1 221 . 19 1 1 A 23 23 ASP HA H 22 4.650 4.019 0.631 1 1 224 . 19 1 1 A 23 23 ASP CA C 22 57.300 59.461 -2.161 1 1 225 . 19 1 1 A 23 23 ASP CB C 22 40.200 32.156 8.044 1 1 226 . 19 1 1 A 23 23 ASP N N 22 119.500 119.131 0.369 1 1 227 . 19 1 1 A 24 24 THR H H 23 8.240 7.732 0.508 1 1 228 . 19 1 1 A 24 24 THR HA H 23 4.380 4.507 -0.127 1 1 233 . 19 1 1 A 24 24 THR CA C 23 66.600 56.957 9.643 1 1 234 . 19 1 1 A 24 24 THR CB C 23 68.400 40.798 27.602 1 1 235 . 19 1 1 A 24 24 THR N N 23 117.800 118.944 -1.144 1 1 236 . 19 1 1 A 25 25 HIS H H 24 7.970 7.978 -0.008 1 1 237 . 19 1 1 A 25 25 HIS HA H 24 4.600 4.030 0.570 1 1 241 . 19 1 1 A 25 25 HIS CA C 24 57.000 66.161 -9.161 1 1 242 . 19 1 1 A 25 25 HIS CB C 24 32.000 68.288 -36.288 1 1 243 . 19 1 1 A 25 25 HIS N N 24 122.100 117.693 4.407 1 1 244 . 19 1 1 A 26 26 ILE H H 25 8.760 8.163 0.597 1 1 245 . 19 1 1 A 26 26 ILE HA H 25 4.020 4.390 -0.370 1 1 252 . 19 1 1 A 26 26 ILE CA C 25 61.300 59.979 1.321 1 1 253 . 19 1 1 A 26 26 ILE CB C 25 37.900 30.193 7.707 1 1 254 . 19 1 1 A 26 26 ILE N N 25 119.100 121.003 -1.903 1 1 255 . 19 1 1 A 27 27 ARG H H 26 7.820 7.657 0.163 1 1 256 . 19 1 1 A 27 27 ARG HA H 26 4.210 3.727 0.483 1 1 263 . 19 1 1 A 27 27 ARG CA C 26 58.700 64.467 -5.767 1 1 264 . 19 1 1 A 27 27 ARG CB C 26 29.400 37.233 -7.833 1 1 265 . 19 1 1 A 27 27 ARG N N 26 118.300 116.790 1.510 1 1 266 . 19 1 1 A 28 28 GLU H H 27 8.020 8.117 -0.097 1 1 267 . 19 1 1 A 28 28 GLU HA H 27 4.140 3.908 0.232 1 1 272 . 19 1 1 A 28 28 GLU CA C 27 60.500 59.464 1.036 1 1 273 . 19 1 1 A 28 28 GLU N N 27 118.600 121.343 -2.743 1 1 274 . 19 1 1 A 29 29 LEU H H 28 8.370 8.358 0.012 1 1 275 . 19 1 1 A 29 29 LEU HA H 28 4.250 4.043 0.207 1 1 285 . 19 1 1 A 29 29 LEU N N 28 121.200 117.819 3.381 1 1 286 . 19 1 1 A 30 30 GLU H H 29 8.910 8.543 0.367 1 1 287 . 19 1 1 A 30 30 GLU HA H 29 4.180 4.376 -0.196 1 1 290 . 19 1 1 A 30 30 GLU CA C 29 60.100 57.780 2.320 1 1 291 . 19 1 1 A 30 30 GLU CB C 29 29.200 41.182 -11.982 1 1 292 . 19 1 1 A 30 30 GLU N N 29 119.000 122.514 -3.514 1 1 293 . 19 1 1 A 31 31 ASP H H 30 8.580 7.795 0.785 1 1 294 . 19 1 1 A 31 31 ASP HA H 30 4.420 4.003 0.417 1 1 297 . 19 1 1 A 31 31 ASP CA C 30 57.000 59.614 -2.614 1 1 298 . 19 1 1 A 31 31 ASP N N 30 119.400 119.321 0.079 1 1 299 . 19 1 1 A 32 32 TYR H H 31 8.100 8.222 -0.122 1 1 300 . 19 1 1 A 32 32 TYR HA H 31 4.520 4.155 0.365 1 1 307 . 19 1 1 A 32 32 TYR CA C 31 58.200 57.395 0.805 1 1 308 . 19 1 1 A 32 32 TYR N N 31 122.100 120.339 1.761 1 1 309 . 19 1 1 A 33 33 ILE HA H 32 4.070 4.339 -0.269 1 1 316 . 19 1 1 A 33 33 ILE CA C 32 58.200 61.082 -2.882 1 1 317 . 19 1 1 A 34 34 ASP H H 33 8.130 8.241 -0.111 1 1 318 . 19 1 1 A 34 34 ASP HA H 33 4.380 3.709 0.671 1 1 321 . 19 1 1 A 34 34 ASP CA C 33 57.300 64.362 -7.062 1 1 322 . 19 1 1 A 34 34 ASP CB C 33 40.600 36.941 3.659 1 1 323 . 19 1 1 A 34 34 ASP N N 33 118.100 120.297 -2.197 1 1 324 . 19 1 1 A 35 35 ASN H H 34 7.790 8.066 -0.276 1 1 325 . 19 1 1 A 35 35 ASN HA H 34 4.520 4.397 0.123 1 1 330 . 19 1 1 A 35 35 ASN CA C 34 55.300 57.581 -2.281 1 1 331 . 19 1 1 A 35 35 ASN CB C 34 39.800 40.018 -0.218 1 1 332 . 19 1 1 A 35 35 ASN N N 34 115.600 122.194 -6.594 1 1 333 . 19 1 1 A 36 36 LEU HA H 35 3.750 4.369 -0.619 1 1 343 . 19 1 1 A 36 36 LEU CA C 35 56.300 56.778 -0.478 1 1 344 . 19 1 1 A 37 37 LEU HA H 36 4.280 4.013 0.267 1 1 354 . 19 1 1 A 37 37 LEU CA C 36 55.800 57.925 -2.125 1 1 355 . 19 1 1 A 37 37 LEU CB C 36 42.300 41.537 0.763 1 1 356 . 19 1 1 A 38 38 VAL H H 37 7.500 7.562 -0.062 1 1 357 . 19 1 1 A 38 38 VAL HA H 37 4.070 4.524 -0.454 1 1 365 . 19 1 1 A 38 38 VAL CA C 37 62.800 53.882 8.918 1 1 366 . 19 1 1 A 38 38 VAL CB C 37 33.600 41.573 -7.973 1 1 367 . 19 1 1 A 38 38 VAL N N 37 115.900 112.609 3.291 1 1 368 . 19 1 1 A 39 39 ARG H H 38 7.920 7.856 0.064 1 1 369 . 19 1 1 A 39 39 ARG HA H 38 4.360 4.356 0.004 1 1 376 . 19 1 1 A 39 39 ARG CA C 38 60.500 60.467 0.033 1 1 377 . 19 1 1 A 39 39 ARG N N 38 121.300 119.021 2.279 1 1 378 . 19 1 1 A 40 40 VAL H H 39 8.000 8.367 -0.367 1 1 379 . 19 1 1 A 40 40 VAL HA H 39 4.180 4.272 -0.092 1 1 387 . 19 1 1 A 40 40 VAL CA C 39 62.600 57.247 5.353 1 1 388 . 19 1 1 A 40 40 VAL CB C 39 32.600 30.954 1.646 1 1 389 . 19 1 1 A 40 40 VAL N N 39 119.000 127.138 -8.138 1 1 390 . 19 1 1 A 41 41 MET H H 40 7.990 8.775 -0.785 1 1 391 . 19 1 1 A 41 41 MET HA H 40 4.550 4.922 -0.372 1 1 399 . 19 1 1 A 41 41 MET CA C 40 56.900 60.029 -3.129 1 1 400 . 19 1 1 A 41 41 MET CB C 40 33.700 34.062 -0.362 1 1 6 . 20 1 1 A 3 3 LEU H H 2 8.530 8.400 0.130 1 1 7 . 20 1 1 A 3 3 LEU HA H 2 4.700 4.610 0.090 1 1 17 . 20 1 1 A 3 3 LEU CA C 2 54.700 58.524 -3.824 1 1 18 . 20 1 1 A 3 3 LEU CB C 2 43.000 64.036 -21.036 1 1 19 . 20 1 1 A 3 3 LEU N N 2 123.300 121.679 1.621 1 1 20 . 20 1 1 A 4 4 THR H H 3 9.520 7.659 1.861 1 1 21 . 20 1 1 A 4 4 THR HA H 3 4.830 4.422 0.408 1 1 26 . 20 1 1 A 4 4 THR CA C 3 61.300 54.177 7.123 1 1 27 . 20 1 1 A 4 4 THR CB C 3 71.100 40.503 30.597 1 1 28 . 20 1 1 A 4 4 THR N N 3 116.200 121.868 -5.668 1 1 29 . 20 1 1 A 5 5 TYR H H 4 9.380 8.036 1.344 1 1 30 . 20 1 1 A 5 5 TYR HA H 4 4.120 4.657 -0.537 1 1 37 . 20 1 1 A 5 5 TYR CA C 4 62.300 60.699 1.601 1 1 38 . 20 1 1 A 5 5 TYR CB C 4 38.600 71.632 -33.032 1 1 39 . 20 1 1 A 5 5 TYR N N 4 121.600 112.798 8.802 1 1 40 . 20 1 1 A 6 6 GLU H H 5 9.000 9.094 -0.094 1 1 41 . 20 1 1 A 6 6 GLU HA H 5 3.900 4.160 -0.260 1 1 46 . 20 1 1 A 6 6 GLU CA C 5 60.500 62.380 -1.880 1 1 47 . 20 1 1 A 6 6 GLU CB C 5 28.700 39.144 -10.444 1 1 48 . 20 1 1 A 6 6 GLU N N 5 115.500 122.147 -6.647 1 1 49 . 20 1 1 A 7 7 GLU H H 6 7.920 8.357 -0.437 1 1 50 . 20 1 1 A 7 7 GLU HA H 6 4.060 4.216 -0.156 1 1 55 . 20 1 1 A 7 7 GLU CA C 6 59.200 58.556 0.644 1 1 56 . 20 1 1 A 7 7 GLU CB C 6 30.400 29.158 1.242 1 1 57 . 20 1 1 A 7 7 GLU N N 6 118.900 118.571 0.329 1 1 58 . 20 1 1 A 8 8 VAL H H 7 8.590 8.519 0.071 1 1 59 . 20 1 1 A 8 8 VAL HA H 7 3.640 4.093 -0.453 1 1 67 . 20 1 1 A 8 8 VAL CA C 7 66.400 58.774 7.626 1 1 68 . 20 1 1 A 8 8 VAL CB C 7 30.800 29.589 1.211 1 1 69 . 20 1 1 A 8 8 VAL N N 7 119.300 120.406 -1.106 1 1 70 . 20 1 1 A 9 9 LEU H H 8 8.230 7.594 0.636 1 1 71 . 20 1 1 A 9 9 LEU HA H 8 3.870 3.775 0.095 1 1 81 . 20 1 1 A 9 9 LEU CA C 8 58.500 65.040 -6.540 1 1 82 . 20 1 1 A 9 9 LEU CB C 8 41.100 31.202 9.898 1 1 83 . 20 1 1 A 9 9 LEU N N 8 120.600 119.325 1.275 1 1 84 . 20 1 1 A 10 10 GLN H H 9 7.910 7.672 0.238 1 1 85 . 20 1 1 A 10 10 GLN HA H 9 4.090 3.710 0.380 1 1 92 . 20 1 1 A 10 10 GLN CA C 9 58.500 58.208 0.292 1 1 93 . 20 1 1 A 10 10 GLN CB C 9 27.900 41.475 -13.575 1 1 94 . 20 1 1 A 10 10 GLN N N 9 117.200 121.115 -3.915 1 1 96 . 20 1 1 A 11 11 GLU H H 10 8.200 7.993 0.207 1 1 97 . 20 1 1 A 11 11 GLU HA H 10 4.210 4.134 0.076 1 1 102 . 20 1 1 A 11 11 GLU CA C 10 58.700 58.629 0.071 1 1 103 . 20 1 1 A 11 11 GLU CB C 10 29.600 28.550 1.050 1 1 104 . 20 1 1 A 11 11 GLU N N 11 120.200 119.644 0.556 1 1 105 . 20 1 1 A 12 12 LEU HA H 11 3.910 4.027 -0.117 1 1 115 . 20 1 1 A 12 12 LEU CA C 11 58.900 59.252 -0.352 1 1 116 . 20 1 1 A 12 12 LEU CB C 11 40.900 28.827 12.073 1 1 117 . 20 1 1 A 12 12 LEU N N 11 124.600 119.644 4.956 1 1 118 . 20 1 1 A 13 13 VAL H H 12 8.180 7.837 0.343 1 1 119 . 20 1 1 A 13 13 VAL HA H 12 3.500 3.777 -0.277 1 1 121 . 20 1 1 A 13 13 VAL CA C 12 67.300 58.083 9.217 1 1 122 . 20 1 1 A 13 13 VAL CB C 12 31.500 41.831 -10.331 1 1 123 . 20 1 1 A 13 13 VAL N N 12 120.300 122.328 -2.028 1 1 124 . 20 1 1 A 14 14 LYS H H 13 8.020 7.830 0.190 1 1 125 . 20 1 1 A 14 14 LYS HA H 13 4.080 3.632 0.448 1 1 132 . 20 1 1 A 14 14 LYS CA C 13 59.200 65.271 -6.071 1 1 133 . 20 1 1 A 14 14 LYS CB C 13 31.500 31.663 -0.163 1 1 134 . 20 1 1 A 14 14 LYS N N 13 118.700 118.484 0.216 1 1 135 . 20 1 1 A 15 15 HIS H H 14 8.580 7.872 0.708 1 1 136 . 20 1 1 A 15 15 HIS HA H 14 4.120 4.063 0.057 1 1 141 . 20 1 1 A 15 15 HIS CA C 14 61.900 59.632 2.268 1 1 142 . 20 1 1 A 15 15 HIS CB C 14 32.000 32.381 -0.381 1 1 143 . 20 1 1 A 15 15 HIS N N 14 117.800 121.691 -3.891 1 1 144 . 20 1 1 A 16 16 LYS H H 15 8.670 7.802 0.868 1 1 145 . 20 1 1 A 16 16 LYS HA H 15 4.220 4.202 0.018 1 1 154 . 20 1 1 A 16 16 LYS N N 15 120.300 118.389 1.911 1 1 155 . 20 1 1 A 17 17 GLU H H 16 7.910 7.958 -0.048 1 1 156 . 20 1 1 A 17 17 GLU HA H 16 4.160 3.879 0.281 1 1 159 . 20 1 1 A 17 17 GLU N N 16 120.000 118.630 1.370 1 1 160 . 20 1 1 A 18 18 LEU H H 17 8.370 8.258 0.112 1 1 161 . 20 1 1 A 18 18 LEU HA H 17 4.670 4.193 0.477 1 1 171 . 20 1 1 A 18 18 LEU CB C 17 37.300 29.361 7.939 1 1 172 . 20 1 1 A 18 18 LEU N N 17 121.200 119.599 1.601 1 1 173 . 20 1 1 A 19 19 LEU H H 18 8.450 8.036 0.414 1 1 174 . 20 1 1 A 19 19 LEU HA H 18 3.880 4.040 -0.160 1 1 184 . 20 1 1 A 19 19 LEU N N 18 119.300 119.968 -0.668 1 1 185 . 20 1 1 A 20 20 ARG H H 19 7.620 8.246 -0.626 1 1 186 . 20 1 1 A 20 20 ARG HA H 19 4.240 3.905 0.335 1 1 193 . 20 1 1 A 20 20 ARG CA C 19 59.300 57.799 1.501 1 1 194 . 20 1 1 A 20 20 ARG CB C 19 29.800 41.115 -11.315 1 1 195 . 20 1 1 A 20 20 ARG N N 19 117.900 118.291 -0.391 1 1 196 . 20 1 1 A 21 21 ARG H H 20 8.000 8.228 -0.228 1 1 197 . 20 1 1 A 21 21 ARG HA H 20 4.120 3.964 0.156 1 1 204 . 20 1 1 A 21 21 ARG CA C 20 59.200 59.806 -0.606 1 1 205 . 20 1 1 A 21 21 ARG CB C 20 29.400 29.908 -0.508 1 1 206 . 20 1 1 A 21 21 ARG N N 20 118.300 119.387 -1.087 1 1 207 . 20 1 1 A 22 22 LYS H H 21 8.600 7.747 0.853 1 1 208 . 20 1 1 A 22 22 LYS HA H 21 4.210 3.969 0.241 1 1 217 . 20 1 1 A 22 22 LYS CA C 21 59.000 58.951 0.049 1 1 218 . 20 1 1 A 22 22 LYS CB C 21 29.400 29.951 -0.551 1 1 219 . 20 1 1 A 22 22 LYS N N 21 120.900 120.055 0.845 1 1 220 . 20 1 1 A 23 23 ASP H H 22 8.560 7.835 0.725 1 1 221 . 20 1 1 A 23 23 ASP HA H 22 4.650 4.062 0.588 1 1 224 . 20 1 1 A 23 23 ASP CA C 22 57.300 59.650 -2.350 1 1 225 . 20 1 1 A 23 23 ASP CB C 22 40.200 32.230 7.970 1 1 226 . 20 1 1 A 23 23 ASP N N 22 119.500 119.152 0.348 1 1 227 . 20 1 1 A 24 24 THR H H 23 8.240 7.846 0.394 1 1 228 . 20 1 1 A 24 24 THR HA H 23 4.380 4.450 -0.070 1 1 233 . 20 1 1 A 24 24 THR CA C 23 66.600 56.233 10.367 1 1 234 . 20 1 1 A 24 24 THR CB C 23 68.400 41.094 27.306 1 1 235 . 20 1 1 A 24 24 THR N N 23 117.800 120.042 -2.242 1 1 236 . 20 1 1 A 25 25 HIS H H 24 7.970 7.505 0.465 1 1 237 . 20 1 1 A 25 25 HIS HA H 24 4.600 4.188 0.412 1 1 241 . 20 1 1 A 25 25 HIS CA C 24 57.000 64.338 -7.338 1 1 242 . 20 1 1 A 25 25 HIS CB C 24 32.000 69.157 -37.157 1 1 243 . 20 1 1 A 25 25 HIS N N 24 122.100 114.725 7.375 1 1 244 . 20 1 1 A 26 26 ILE H H 25 8.760 8.370 0.390 1 1 245 . 20 1 1 A 26 26 ILE HA H 25 4.020 4.327 -0.307 1 1 252 . 20 1 1 A 26 26 ILE CA C 25 61.300 59.944 1.356 1 1 253 . 20 1 1 A 26 26 ILE CB C 25 37.900 30.526 7.374 1 1 254 . 20 1 1 A 26 26 ILE N N 25 119.100 120.828 -1.728 1 1 255 . 20 1 1 A 27 27 ARG H H 26 7.820 7.693 0.127 1 1 256 . 20 1 1 A 27 27 ARG HA H 26 4.210 3.786 0.424 1 1 263 . 20 1 1 A 27 27 ARG CA C 26 58.700 64.062 -5.362 1 1 264 . 20 1 1 A 27 27 ARG CB C 26 29.400 37.448 -8.048 1 1 265 . 20 1 1 A 27 27 ARG N N 26 118.300 116.089 2.211 1 1 266 . 20 1 1 A 28 28 GLU H H 27 8.020 7.990 0.030 1 1 267 . 20 1 1 A 28 28 GLU HA H 27 4.140 4.065 0.075 1 1 272 . 20 1 1 A 28 28 GLU CA C 27 60.500 58.867 1.633 1 1 273 . 20 1 1 A 28 28 GLU N N 27 118.600 121.182 -2.582 1 1 274 . 20 1 1 A 29 29 LEU H H 28 8.370 8.186 0.184 1 1 275 . 20 1 1 A 29 29 LEU HA H 28 4.250 3.956 0.294 1 1 285 . 20 1 1 A 29 29 LEU N N 28 121.200 118.017 3.183 1 1 286 . 20 1 1 A 30 30 GLU H H 29 8.910 7.936 0.974 1 1 287 . 20 1 1 A 30 30 GLU HA H 29 4.180 3.989 0.191 1 1 290 . 20 1 1 A 30 30 GLU CA C 29 60.100 56.581 3.519 1 1 291 . 20 1 1 A 30 30 GLU CB C 29 29.200 41.486 -12.286 1 1 292 . 20 1 1 A 30 30 GLU N N 29 119.000 121.794 -2.794 1 1 293 . 20 1 1 A 31 31 ASP H H 30 8.580 8.139 0.441 1 1 294 . 20 1 1 A 31 31 ASP HA H 30 4.420 3.941 0.479 1 1 297 . 20 1 1 A 31 31 ASP CA C 30 57.000 59.612 -2.612 1 1 298 . 20 1 1 A 31 31 ASP N N 30 119.400 119.146 0.254 1 1 299 . 20 1 1 A 32 32 TYR H H 31 8.100 7.569 0.531 1 1 300 . 20 1 1 A 32 32 TYR HA H 31 4.520 4.247 0.273 1 1 307 . 20 1 1 A 32 32 TYR CA C 31 58.200 56.958 1.242 1 1 308 . 20 1 1 A 32 32 TYR N N 31 122.100 119.698 2.402 1 1 309 . 20 1 1 A 33 33 ILE HA H 32 4.070 4.342 -0.272 1 1 316 . 20 1 1 A 33 33 ILE CA C 32 58.200 60.934 -2.734 1 1 317 . 20 1 1 A 34 34 ASP H H 33 8.130 7.839 0.291 1 1 318 . 20 1 1 A 34 34 ASP HA H 33 4.380 3.785 0.595 1 1 321 . 20 1 1 A 34 34 ASP CA C 33 57.300 64.618 -7.318 1 1 322 . 20 1 1 A 34 34 ASP CB C 33 40.600 37.434 3.166 1 1 323 . 20 1 1 A 34 34 ASP N N 33 118.100 120.478 -2.378 1 1 324 . 20 1 1 A 35 35 ASN H H 34 7.790 8.442 -0.652 1 1 325 . 20 1 1 A 35 35 ASN HA H 34 4.520 4.394 0.126 1 1 330 . 20 1 1 A 35 35 ASN CA C 34 55.300 57.162 -1.862 1 1 331 . 20 1 1 A 35 35 ASN CB C 34 39.800 40.318 -0.518 1 1 332 . 20 1 1 A 35 35 ASN N N 34 115.600 122.474 -6.874 1 1 333 . 20 1 1 A 36 36 LEU HA H 35 3.750 4.405 -0.655 1 1 343 . 20 1 1 A 36 36 LEU CA C 35 56.300 56.878 -0.578 1 1 344 . 20 1 1 A 37 37 LEU HA H 36 4.280 4.070 0.210 1 1 354 . 20 1 1 A 37 37 LEU CA C 36 55.800 57.923 -2.123 1 1 355 . 20 1 1 A 37 37 LEU CB C 36 42.300 41.462 0.838 1 1 356 . 20 1 1 A 38 38 VAL H H 37 7.500 7.586 -0.086 1 1 357 . 20 1 1 A 38 38 VAL HA H 37 4.070 4.583 -0.513 1 1 365 . 20 1 1 A 38 38 VAL CA C 37 62.800 53.868 8.932 1 1 366 . 20 1 1 A 38 38 VAL CB C 37 33.600 41.602 -8.002 1 1 367 . 20 1 1 A 38 38 VAL N N 37 115.900 112.313 3.587 1 1 368 . 20 1 1 A 39 39 ARG H H 38 7.920 7.976 -0.056 1 1 369 . 20 1 1 A 39 39 ARG HA H 38 4.360 4.473 -0.113 1 1 376 . 20 1 1 A 39 39 ARG CA C 38 60.500 60.091 0.409 1 1 377 . 20 1 1 A 39 39 ARG N N 38 121.300 119.242 2.058 1 1 378 . 20 1 1 A 40 40 VAL H H 39 8.000 8.413 -0.413 1 1 379 . 20 1 1 A 40 40 VAL HA H 39 4.180 4.494 -0.314 1 1 387 . 20 1 1 A 40 40 VAL CA C 39 62.600 56.117 6.483 1 1 388 . 20 1 1 A 40 40 VAL CB C 39 32.600 30.797 1.803 1 1 389 . 20 1 1 A 40 40 VAL N N 39 119.000 124.701 -5.701 1 1 390 . 20 1 1 A 41 41 MET H H 40 7.990 8.609 -0.619 1 1 391 . 20 1 1 A 41 41 MET HA H 40 4.550 4.696 -0.146 1 1 399 . 20 1 1 A 41 41 MET CA C 40 56.900 60.810 -3.910 1 1 400 . 20 1 1 A 41 41 MET CB C 40 33.700 33.315 0.385 1 1 6 . 21 1 1 A 3 3 LEU H H 2 8.530 8.568 -0.038 1 1 7 . 21 1 1 A 3 3 LEU HA H 2 4.700 4.505 0.195 1 1 17 . 21 1 1 A 3 3 LEU CA C 2 54.700 60.472 -5.772 1 1 18 . 21 1 1 A 3 3 LEU CB C 2 43.000 63.908 -20.908 1 1 19 . 21 1 1 A 3 3 LEU N N 2 123.300 121.974 1.326 1 1 20 . 21 1 1 A 4 4 THR H H 3 9.520 7.796 1.724 1 1 21 . 21 1 1 A 4 4 THR HA H 3 4.830 4.299 0.531 1 1 26 . 21 1 1 A 4 4 THR CA C 3 61.300 54.721 6.579 1 1 27 . 21 1 1 A 4 4 THR CB C 3 71.100 41.044 30.056 1 1 28 . 21 1 1 A 4 4 THR N N 3 116.200 116.871 -0.671 1 1 29 . 21 1 1 A 5 5 TYR H H 4 9.380 8.597 0.783 1 1 30 . 21 1 1 A 5 5 TYR HA H 4 4.120 4.645 -0.525 1 1 37 . 21 1 1 A 5 5 TYR CA C 4 62.300 60.903 1.397 1 1 38 . 21 1 1 A 5 5 TYR CB C 4 38.600 70.920 -32.320 1 1 39 . 21 1 1 A 5 5 TYR N N 4 121.600 111.316 10.284 1 1 40 . 21 1 1 A 6 6 GLU H H 5 9.000 9.074 -0.074 1 1 41 . 21 1 1 A 6 6 GLU HA H 5 3.900 4.116 -0.216 1 1 46 . 21 1 1 A 6 6 GLU CA C 5 60.500 62.363 -1.863 1 1 47 . 21 1 1 A 6 6 GLU CB C 5 28.700 39.003 -10.303 1 1 48 . 21 1 1 A 6 6 GLU N N 5 115.500 122.128 -6.628 1 1 49 . 21 1 1 A 7 7 GLU H H 6 7.920 8.436 -0.516 1 1 50 . 21 1 1 A 7 7 GLU HA H 6 4.060 3.695 0.365 1 1 55 . 21 1 1 A 7 7 GLU CA C 6 59.200 60.047 -0.847 1 1 56 . 21 1 1 A 7 7 GLU CB C 6 30.400 29.010 1.390 1 1 57 . 21 1 1 A 7 7 GLU N N 6 118.900 117.912 0.988 1 1 58 . 21 1 1 A 8 8 VAL H H 7 8.590 8.198 0.392 1 1 59 . 21 1 1 A 8 8 VAL HA H 7 3.640 4.061 -0.421 1 1 67 . 21 1 1 A 8 8 VAL CA C 7 66.400 58.831 7.569 1 1 68 . 21 1 1 A 8 8 VAL CB C 7 30.800 29.495 1.305 1 1 69 . 21 1 1 A 8 8 VAL N N 7 119.300 119.640 -0.340 1 1 70 . 21 1 1 A 9 9 LEU H H 8 8.230 7.853 0.377 1 1 71 . 21 1 1 A 9 9 LEU HA H 8 3.870 3.990 -0.120 1 1 81 . 21 1 1 A 9 9 LEU CA C 8 58.500 65.139 -6.639 1 1 82 . 21 1 1 A 9 9 LEU CB C 8 41.100 31.223 9.877 1 1 83 . 21 1 1 A 9 9 LEU N N 8 120.600 119.336 1.264 1 1 84 . 21 1 1 A 10 10 GLN H H 9 7.910 7.706 0.204 1 1 85 . 21 1 1 A 10 10 GLN HA H 9 4.090 3.737 0.353 1 1 92 . 21 1 1 A 10 10 GLN CA C 9 58.500 58.059 0.441 1 1 93 . 21 1 1 A 10 10 GLN CB C 9 27.900 41.583 -13.683 1 1 94 . 21 1 1 A 10 10 GLN N N 9 117.200 121.170 -3.970 1 1 96 . 21 1 1 A 11 11 GLU H H 10 8.200 8.341 -0.141 1 1 97 . 21 1 1 A 11 11 GLU HA H 10 4.210 3.882 0.328 1 1 102 . 21 1 1 A 11 11 GLU CA C 10 58.700 59.165 -0.465 1 1 103 . 21 1 1 A 11 11 GLU CB C 10 29.600 28.207 1.393 1 1 104 . 21 1 1 A 11 11 GLU N N 11 120.200 119.676 0.524 1 1 105 . 21 1 1 A 12 12 LEU HA H 11 3.910 4.003 -0.093 1 1 115 . 21 1 1 A 12 12 LEU CA C 11 58.900 58.911 -0.011 1 1 116 . 21 1 1 A 12 12 LEU CB C 11 40.900 29.320 11.580 1 1 117 . 21 1 1 A 12 12 LEU N N 11 124.600 119.676 4.924 1 1 118 . 21 1 1 A 13 13 VAL H H 12 8.180 7.888 0.292 1 1 119 . 21 1 1 A 13 13 VAL HA H 12 3.500 4.017 -0.517 1 1 121 . 21 1 1 A 13 13 VAL CA C 12 67.300 57.434 9.866 1 1 122 . 21 1 1 A 13 13 VAL CB C 12 31.500 42.145 -10.645 1 1 123 . 21 1 1 A 13 13 VAL N N 12 120.300 121.333 -1.033 1 1 124 . 21 1 1 A 14 14 LYS H H 13 8.020 7.634 0.386 1 1 125 . 21 1 1 A 14 14 LYS HA H 13 4.080 3.847 0.233 1 1 132 . 21 1 1 A 14 14 LYS CA C 13 59.200 65.294 -6.094 1 1 133 . 21 1 1 A 14 14 LYS CB C 13 31.500 31.443 0.057 1 1 134 . 21 1 1 A 14 14 LYS N N 13 118.700 118.633 0.067 1 1 135 . 21 1 1 A 15 15 HIS H H 14 8.580 8.401 0.179 1 1 136 . 21 1 1 A 15 15 HIS HA H 14 4.120 4.347 -0.227 1 1 141 . 21 1 1 A 15 15 HIS CA C 14 61.900 59.603 2.297 1 1 142 . 21 1 1 A 15 15 HIS CB C 14 32.000 32.771 -0.771 1 1 143 . 21 1 1 A 15 15 HIS N N 14 117.800 121.383 -3.583 1 1 144 . 21 1 1 A 16 16 LYS H H 15 8.670 8.037 0.633 1 1 145 . 21 1 1 A 16 16 LYS HA H 15 4.220 4.286 -0.066 1 1 154 . 21 1 1 A 16 16 LYS N N 15 120.300 117.904 2.396 1 1 155 . 21 1 1 A 17 17 GLU H H 16 7.910 7.754 0.156 1 1 156 . 21 1 1 A 17 17 GLU HA H 16 4.160 3.987 0.173 1 1 159 . 21 1 1 A 17 17 GLU N N 16 120.000 118.848 1.152 1 1 160 . 21 1 1 A 18 18 LEU H H 17 8.370 8.341 0.029 1 1 161 . 21 1 1 A 18 18 LEU HA H 17 4.670 4.087 0.583 1 1 171 . 21 1 1 A 18 18 LEU CB C 17 37.300 28.989 8.311 1 1 172 . 21 1 1 A 18 18 LEU N N 17 121.200 118.744 2.456 1 1 173 . 21 1 1 A 19 19 LEU H H 18 8.450 7.805 0.645 1 1 174 . 21 1 1 A 19 19 LEU HA H 18 3.880 4.122 -0.242 1 1 184 . 21 1 1 A 19 19 LEU N N 18 119.300 121.055 -1.755 1 1 185 . 21 1 1 A 20 20 ARG H H 19 7.620 8.009 -0.389 1 1 186 . 21 1 1 A 20 20 ARG HA H 19 4.240 4.108 0.132 1 1 193 . 21 1 1 A 20 20 ARG CA C 19 59.300 56.682 2.618 1 1 194 . 21 1 1 A 20 20 ARG CB C 19 29.800 41.803 -12.003 1 1 195 . 21 1 1 A 20 20 ARG N N 19 117.900 120.499 -2.599 1 1 196 . 21 1 1 A 21 21 ARG H H 20 8.000 8.240 -0.240 1 1 197 . 21 1 1 A 21 21 ARG HA H 20 4.120 3.999 0.121 1 1 204 . 21 1 1 A 21 21 ARG CA C 20 59.200 59.714 -0.514 1 1 205 . 21 1 1 A 21 21 ARG CB C 20 29.400 29.900 -0.500 1 1 206 . 21 1 1 A 21 21 ARG N N 20 118.300 120.348 -2.048 1 1 207 . 21 1 1 A 22 22 LYS H H 21 8.600 7.932 0.668 1 1 208 . 21 1 1 A 22 22 LYS HA H 21 4.210 3.970 0.240 1 1 217 . 21 1 1 A 22 22 LYS CA C 21 59.000 59.356 -0.356 1 1 218 . 21 1 1 A 22 22 LYS CB C 21 29.400 29.845 -0.445 1 1 219 . 21 1 1 A 22 22 LYS N N 21 120.900 118.460 2.440 1 1 220 . 21 1 1 A 23 23 ASP H H 22 8.560 7.636 0.924 1 1 221 . 21 1 1 A 23 23 ASP HA H 22 4.650 4.049 0.601 1 1 224 . 21 1 1 A 23 23 ASP CA C 22 57.300 59.505 -2.205 1 1 225 . 21 1 1 A 23 23 ASP CB C 22 40.200 32.141 8.059 1 1 226 . 21 1 1 A 23 23 ASP N N 22 119.500 118.844 0.656 1 1 227 . 21 1 1 A 24 24 THR H H 23 8.240 7.712 0.528 1 1 228 . 21 1 1 A 24 24 THR HA H 23 4.380 4.520 -0.140 1 1 233 . 21 1 1 A 24 24 THR CA C 23 66.600 56.941 9.659 1 1 234 . 21 1 1 A 24 24 THR CB C 23 68.400 40.796 27.604 1 1 235 . 21 1 1 A 24 24 THR N N 23 117.800 119.073 -1.273 1 1 236 . 21 1 1 A 25 25 HIS H H 24 7.970 8.027 -0.057 1 1 237 . 21 1 1 A 25 25 HIS HA H 24 4.600 4.010 0.590 1 1 241 . 21 1 1 A 25 25 HIS CA C 24 57.000 65.915 -8.915 1 1 242 . 21 1 1 A 25 25 HIS CB C 24 32.000 68.492 -36.492 1 1 243 . 21 1 1 A 25 25 HIS N N 24 122.100 117.673 4.427 1 1 244 . 21 1 1 A 26 26 ILE H H 25 8.760 7.960 0.800 1 1 245 . 21 1 1 A 26 26 ILE HA H 25 4.020 4.337 -0.317 1 1 252 . 21 1 1 A 26 26 ILE CA C 25 61.300 60.022 1.278 1 1 253 . 21 1 1 A 26 26 ILE CB C 25 37.900 30.185 7.715 1 1 254 . 21 1 1 A 26 26 ILE N N 25 119.100 120.863 -1.763 1 1 255 . 21 1 1 A 27 27 ARG H H 26 7.820 7.687 0.133 1 1 256 . 21 1 1 A 27 27 ARG HA H 26 4.210 3.741 0.469 1 1 263 . 21 1 1 A 27 27 ARG CA C 26 58.700 64.634 -5.934 1 1 264 . 21 1 1 A 27 27 ARG CB C 26 29.400 37.345 -7.945 1 1 265 . 21 1 1 A 27 27 ARG N N 26 118.300 117.259 1.041 1 1 266 . 21 1 1 A 28 28 GLU H H 27 8.020 8.067 -0.047 1 1 267 . 21 1 1 A 28 28 GLU HA H 27 4.140 3.959 0.181 1 1 272 . 21 1 1 A 28 28 GLU CA C 27 60.500 59.737 0.763 1 1 273 . 21 1 1 A 28 28 GLU N N 27 118.600 121.606 -3.006 1 1 274 . 21 1 1 A 29 29 LEU H H 28 8.370 8.302 0.068 1 1 275 . 21 1 1 A 29 29 LEU HA H 28 4.250 4.130 0.120 1 1 285 . 21 1 1 A 29 29 LEU N N 28 121.200 117.846 3.354 1 1 286 . 21 1 1 A 30 30 GLU H H 29 8.910 8.733 0.177 1 1 287 . 21 1 1 A 30 30 GLU HA H 29 4.180 4.234 -0.054 1 1 290 . 21 1 1 A 30 30 GLU CA C 29 60.100 57.734 2.366 1 1 291 . 21 1 1 A 30 30 GLU CB C 29 29.200 40.949 -11.749 1 1 292 . 21 1 1 A 30 30 GLU N N 29 119.000 122.199 -3.199 1 1 293 . 21 1 1 A 31 31 ASP H H 30 8.580 7.981 0.599 1 1 294 . 21 1 1 A 31 31 ASP HA H 30 4.420 4.035 0.385 1 1 297 . 21 1 1 A 31 31 ASP CA C 30 57.000 59.759 -2.759 1 1 298 . 21 1 1 A 31 31 ASP N N 30 119.400 119.436 -0.036 1 1 299 . 21 1 1 A 32 32 TYR H H 31 8.100 7.748 0.352 1 1 300 . 21 1 1 A 32 32 TYR HA H 31 4.520 4.393 0.127 1 1 307 . 21 1 1 A 32 32 TYR CA C 31 58.200 57.181 1.019 1 1 308 . 21 1 1 A 32 32 TYR N N 31 122.100 119.790 2.310 1 1 309 . 21 1 1 A 33 33 ILE HA H 32 4.070 4.311 -0.241 1 1 316 . 21 1 1 A 33 33 ILE CA C 32 58.200 61.310 -3.110 1 1 317 . 21 1 1 A 34 34 ASP H H 33 8.130 8.387 -0.257 1 1 318 . 21 1 1 A 34 34 ASP HA H 33 4.380 3.773 0.607 1 1 321 . 21 1 1 A 34 34 ASP CA C 33 57.300 64.149 -6.849 1 1 322 . 21 1 1 A 34 34 ASP CB C 33 40.600 36.919 3.681 1 1 323 . 21 1 1 A 34 34 ASP N N 33 118.100 120.247 -2.147 1 1 324 . 21 1 1 A 35 35 ASN H H 34 7.790 8.118 -0.328 1 1 325 . 21 1 1 A 35 35 ASN HA H 34 4.520 4.413 0.107 1 1 330 . 21 1 1 A 35 35 ASN CA C 34 55.300 57.481 -2.181 1 1 331 . 21 1 1 A 35 35 ASN CB C 34 39.800 40.529 -0.729 1 1 332 . 21 1 1 A 35 35 ASN N N 34 115.600 121.801 -6.201 1 1 333 . 21 1 1 A 36 36 LEU HA H 35 3.750 4.373 -0.623 1 1 343 . 21 1 1 A 36 36 LEU CA C 35 56.300 56.786 -0.486 1 1 344 . 21 1 1 A 37 37 LEU HA H 36 4.280 4.032 0.248 1 1 354 . 21 1 1 A 37 37 LEU CA C 36 55.800 57.886 -2.086 1 1 355 . 21 1 1 A 37 37 LEU CB C 36 42.300 41.499 0.801 1 1 356 . 21 1 1 A 38 38 VAL H H 37 7.500 7.591 -0.091 1 1 357 . 21 1 1 A 38 38 VAL HA H 37 4.070 4.531 -0.461 1 1 365 . 21 1 1 A 38 38 VAL CA C 37 62.800 53.878 8.922 1 1 366 . 21 1 1 A 38 38 VAL CB C 37 33.600 41.447 -7.847 1 1 367 . 21 1 1 A 38 38 VAL N N 37 115.900 112.342 3.558 1 1 368 . 21 1 1 A 39 39 ARG H H 38 7.920 7.804 0.116 1 1 369 . 21 1 1 A 39 39 ARG HA H 38 4.360 4.333 0.027 1 1 376 . 21 1 1 A 39 39 ARG CA C 38 60.500 60.335 0.165 1 1 377 . 21 1 1 A 39 39 ARG N N 38 121.300 118.942 2.358 1 1 378 . 21 1 1 A 40 40 VAL H H 39 8.000 8.386 -0.386 1 1 379 . 21 1 1 A 40 40 VAL HA H 39 4.180 4.256 -0.076 1 1 387 . 21 1 1 A 40 40 VAL CA C 39 62.600 57.178 5.422 1 1 388 . 21 1 1 A 40 40 VAL CB C 39 32.600 30.930 1.670 1 1 389 . 21 1 1 A 40 40 VAL N N 39 119.000 127.068 -8.068 1 1 390 . 21 1 1 A 41 41 MET H H 40 7.990 8.737 -0.747 1 1 391 . 21 1 1 A 41 41 MET HA H 40 4.550 4.888 -0.338 1 1 399 . 21 1 1 A 41 41 MET CA C 40 56.900 60.553 -3.653 1 1 400 . 21 1 1 A 41 41 MET CB C 40 33.700 33.617 0.083 1 1 6 . 22 1 1 A 3 3 LEU H H 2 8.530 8.561 -0.031 1 1 7 . 22 1 1 A 3 3 LEU HA H 2 4.700 4.565 0.135 1 1 17 . 22 1 1 A 3 3 LEU CA C 2 54.700 58.846 -4.146 1 1 18 . 22 1 1 A 3 3 LEU CB C 2 43.000 64.164 -21.164 1 1 19 . 22 1 1 A 3 3 LEU N N 2 123.300 121.972 1.328 1 1 20 . 22 1 1 A 4 4 THR H H 3 9.520 7.584 1.936 1 1 21 . 22 1 1 A 4 4 THR HA H 3 4.830 4.412 0.418 1 1 26 . 22 1 1 A 4 4 THR CA C 3 61.300 54.118 7.182 1 1 27 . 22 1 1 A 4 4 THR CB C 3 71.100 40.492 30.608 1 1 28 . 22 1 1 A 4 4 THR N N 3 116.200 119.673 -3.473 1 1 29 . 22 1 1 A 5 5 TYR H H 4 9.380 8.122 1.258 1 1 30 . 22 1 1 A 5 5 TYR HA H 4 4.120 4.630 -0.510 1 1 37 . 22 1 1 A 5 5 TYR CA C 4 62.300 60.741 1.559 1 1 38 . 22 1 1 A 5 5 TYR CB C 4 38.600 71.477 -32.877 1 1 39 . 22 1 1 A 5 5 TYR N N 4 121.600 112.949 8.651 1 1 40 . 22 1 1 A 6 6 GLU H H 5 9.000 9.086 -0.086 1 1 41 . 22 1 1 A 6 6 GLU HA H 5 3.900 4.163 -0.263 1 1 46 . 22 1 1 A 6 6 GLU CA C 5 60.500 62.355 -1.855 1 1 47 . 22 1 1 A 6 6 GLU CB C 5 28.700 39.116 -10.416 1 1 48 . 22 1 1 A 6 6 GLU N N 5 115.500 122.139 -6.639 1 1 49 . 22 1 1 A 7 7 GLU H H 6 7.920 8.246 -0.326 1 1 50 . 22 1 1 A 7 7 GLU HA H 6 4.060 4.229 -0.169 1 1 55 . 22 1 1 A 7 7 GLU CA C 6 59.200 58.528 0.672 1 1 56 . 22 1 1 A 7 7 GLU CB C 6 30.400 29.148 1.252 1 1 57 . 22 1 1 A 7 7 GLU N N 6 118.900 118.864 0.036 1 1 58 . 22 1 1 A 8 8 VAL H H 7 8.590 8.681 -0.091 1 1 59 . 22 1 1 A 8 8 VAL HA H 7 3.640 4.093 -0.453 1 1 67 . 22 1 1 A 8 8 VAL CA C 7 66.400 58.596 7.804 1 1 68 . 22 1 1 A 8 8 VAL CB C 7 30.800 29.586 1.214 1 1 69 . 22 1 1 A 8 8 VAL N N 7 119.300 120.147 -0.847 1 1 70 . 22 1 1 A 9 9 LEU H H 8 8.230 7.475 0.755 1 1 71 . 22 1 1 A 9 9 LEU HA H 8 3.870 3.804 0.066 1 1 81 . 22 1 1 A 9 9 LEU CA C 8 58.500 64.903 -6.403 1 1 82 . 22 1 1 A 9 9 LEU CB C 8 41.100 31.387 9.713 1 1 83 . 22 1 1 A 9 9 LEU N N 8 120.600 119.502 1.098 1 1 84 . 22 1 1 A 10 10 GLN H H 9 7.910 7.765 0.145 1 1 85 . 22 1 1 A 10 10 GLN HA H 9 4.090 3.705 0.385 1 1 92 . 22 1 1 A 10 10 GLN CA C 9 58.500 58.003 0.497 1 1 93 . 22 1 1 A 10 10 GLN CB C 9 27.900 41.396 -13.496 1 1 94 . 22 1 1 A 10 10 GLN N N 9 117.200 121.125 -3.925 1 1 96 . 22 1 1 A 11 11 GLU H H 10 8.200 7.517 0.683 1 1 97 . 22 1 1 A 11 11 GLU HA H 10 4.210 4.203 0.007 1 1 102 . 22 1 1 A 11 11 GLU CA C 10 58.700 58.531 0.169 1 1 103 . 22 1 1 A 11 11 GLU CB C 10 29.600 28.793 0.807 1 1 104 . 22 1 1 A 11 11 GLU N N 11 120.200 120.362 -0.162 1 1 105 . 22 1 1 A 12 12 LEU HA H 11 3.910 4.108 -0.198 1 1 115 . 22 1 1 A 12 12 LEU CA C 11 58.900 58.894 0.006 1 1 116 . 22 1 1 A 12 12 LEU CB C 11 40.900 29.369 11.531 1 1 117 . 22 1 1 A 12 12 LEU N N 11 124.600 120.362 4.238 1 1 118 . 22 1 1 A 13 13 VAL H H 12 8.180 8.090 0.090 1 1 119 . 22 1 1 A 13 13 VAL HA H 12 3.500 3.812 -0.312 1 1 121 . 22 1 1 A 13 13 VAL CA C 12 67.300 58.225 9.075 1 1 122 . 22 1 1 A 13 13 VAL CB C 12 31.500 41.652 -10.152 1 1 123 . 22 1 1 A 13 13 VAL N N 12 120.300 121.546 -1.246 1 1 124 . 22 1 1 A 14 14 LYS H H 13 8.020 7.751 0.269 1 1 125 . 22 1 1 A 14 14 LYS HA H 13 4.080 3.644 0.436 1 1 132 . 22 1 1 A 14 14 LYS CA C 13 59.200 65.451 -6.251 1 1 133 . 22 1 1 A 14 14 LYS CB C 13 31.500 31.770 -0.270 1 1 134 . 22 1 1 A 14 14 LYS N N 13 118.700 118.459 0.241 1 1 135 . 22 1 1 A 15 15 HIS H H 14 8.580 7.815 0.765 1 1 136 . 22 1 1 A 15 15 HIS HA H 14 4.120 3.984 0.136 1 1 141 . 22 1 1 A 15 15 HIS CA C 14 61.900 59.474 2.426 1 1 142 . 22 1 1 A 15 15 HIS CB C 14 32.000 32.232 -0.232 1 1 143 . 22 1 1 A 15 15 HIS N N 14 117.800 121.708 -3.908 1 1 144 . 22 1 1 A 16 16 LYS H H 15 8.670 7.745 0.925 1 1 145 . 22 1 1 A 16 16 LYS HA H 15 4.220 4.387 -0.167 1 1 154 . 22 1 1 A 16 16 LYS N N 15 120.300 117.835 2.465 1 1 155 . 22 1 1 A 17 17 GLU H H 16 7.910 8.226 -0.316 1 1 156 . 22 1 1 A 17 17 GLU HA H 16 4.160 4.043 0.117 1 1 159 . 22 1 1 A 17 17 GLU N N 16 120.000 119.406 0.594 1 1 160 . 22 1 1 A 18 18 LEU H H 17 8.370 8.486 -0.116 1 1 161 . 22 1 1 A 18 18 LEU HA H 17 4.670 4.088 0.582 1 1 171 . 22 1 1 A 18 18 LEU CB C 17 37.300 29.328 7.972 1 1 172 . 22 1 1 A 18 18 LEU N N 17 121.200 120.304 0.896 1 1 173 . 22 1 1 A 19 19 LEU H H 18 8.450 8.194 0.256 1 1 174 . 22 1 1 A 19 19 LEU HA H 18 3.880 3.908 -0.028 1 1 184 . 22 1 1 A 19 19 LEU N N 18 119.300 120.273 -0.973 1 1 185 . 22 1 1 A 20 20 ARG H H 19 7.620 7.873 -0.253 1 1 186 . 22 1 1 A 20 20 ARG HA H 19 4.240 3.890 0.350 1 1 193 . 22 1 1 A 20 20 ARG CA C 19 59.300 57.832 1.468 1 1 194 . 22 1 1 A 20 20 ARG CB C 19 29.800 40.967 -11.167 1 1 195 . 22 1 1 A 20 20 ARG N N 19 117.900 118.166 -0.266 1 1 196 . 22 1 1 A 21 21 ARG H H 20 8.000 8.321 -0.321 1 1 197 . 22 1 1 A 21 21 ARG HA H 20 4.120 4.018 0.102 1 1 204 . 22 1 1 A 21 21 ARG CA C 20 59.200 59.804 -0.604 1 1 205 . 22 1 1 A 21 21 ARG CB C 20 29.400 29.954 -0.554 1 1 206 . 22 1 1 A 21 21 ARG N N 20 118.300 119.246 -0.946 1 1 207 . 22 1 1 A 22 22 LYS H H 21 8.600 7.517 1.083 1 1 208 . 22 1 1 A 22 22 LYS HA H 21 4.210 3.972 0.238 1 1 217 . 22 1 1 A 22 22 LYS CA C 21 59.000 59.527 -0.527 1 1 218 . 22 1 1 A 22 22 LYS CB C 21 29.400 29.962 -0.562 1 1 219 . 22 1 1 A 22 22 LYS N N 21 120.900 119.453 1.447 1 1 220 . 22 1 1 A 23 23 ASP H H 22 8.560 7.711 0.849 1 1 221 . 22 1 1 A 23 23 ASP HA H 22 4.650 4.067 0.583 1 1 224 . 22 1 1 A 23 23 ASP CA C 22 57.300 59.715 -2.415 1 1 225 . 22 1 1 A 23 23 ASP CB C 22 40.200 32.216 7.984 1 1 226 . 22 1 1 A 23 23 ASP N N 22 119.500 119.244 0.256 1 1 227 . 22 1 1 A 24 24 THR H H 23 8.240 7.855 0.385 1 1 228 . 22 1 1 A 24 24 THR HA H 23 4.380 4.489 -0.109 1 1 233 . 22 1 1 A 24 24 THR CA C 23 66.600 56.239 10.361 1 1 234 . 22 1 1 A 24 24 THR CB C 23 68.400 40.975 27.425 1 1 235 . 22 1 1 A 24 24 THR N N 23 117.800 119.508 -1.708 1 1 236 . 22 1 1 A 25 25 HIS H H 24 7.970 7.561 0.409 1 1 237 . 22 1 1 A 25 25 HIS HA H 24 4.600 4.219 0.381 1 1 241 . 22 1 1 A 25 25 HIS CA C 24 57.000 64.436 -7.436 1 1 242 . 22 1 1 A 25 25 HIS CB C 24 32.000 69.246 -37.246 1 1 243 . 22 1 1 A 25 25 HIS N N 24 122.100 114.565 7.535 1 1 244 . 22 1 1 A 26 26 ILE H H 25 8.760 8.348 0.412 1 1 245 . 22 1 1 A 26 26 ILE HA H 25 4.020 4.387 -0.367 1 1 252 . 22 1 1 A 26 26 ILE CA C 25 61.300 59.795 1.505 1 1 253 . 22 1 1 A 26 26 ILE CB C 25 37.900 30.368 7.532 1 1 254 . 22 1 1 A 26 26 ILE N N 25 119.100 120.540 -1.440 1 1 255 . 22 1 1 A 27 27 ARG H H 26 7.820 7.713 0.107 1 1 256 . 22 1 1 A 27 27 ARG HA H 26 4.210 3.872 0.338 1 1 263 . 22 1 1 A 27 27 ARG CA C 26 58.700 64.162 -5.462 1 1 264 . 22 1 1 A 27 27 ARG CB C 26 29.400 37.386 -7.986 1 1 265 . 22 1 1 A 27 27 ARG N N 26 118.300 116.109 2.191 1 1 266 . 22 1 1 A 28 28 GLU H H 27 8.020 7.957 0.063 1 1 267 . 22 1 1 A 28 28 GLU HA H 27 4.140 4.096 0.044 1 1 272 . 22 1 1 A 28 28 GLU CA C 27 60.500 58.685 1.815 1 1 273 . 22 1 1 A 28 28 GLU N N 27 118.600 121.521 -2.921 1 1 274 . 22 1 1 A 29 29 LEU H H 28 8.370 8.345 0.025 1 1 275 . 22 1 1 A 29 29 LEU HA H 28 4.250 4.116 0.134 1 1 285 . 22 1 1 A 29 29 LEU N N 28 121.200 117.664 3.536 1 1 286 . 22 1 1 A 30 30 GLU H H 29 8.910 8.181 0.729 1 1 287 . 22 1 1 A 30 30 GLU HA H 29 4.180 4.454 -0.274 1 1 290 . 22 1 1 A 30 30 GLU CA C 29 60.100 56.324 3.776 1 1 291 . 22 1 1 A 30 30 GLU CB C 29 29.200 41.992 -12.792 1 1 292 . 22 1 1 A 30 30 GLU N N 29 119.000 121.688 -2.688 1 1 293 . 22 1 1 A 31 31 ASP H H 30 8.580 8.216 0.364 1 1 294 . 22 1 1 A 31 31 ASP HA H 30 4.420 4.060 0.360 1 1 297 . 22 1 1 A 31 31 ASP CA C 30 57.000 59.621 -2.621 1 1 298 . 22 1 1 A 31 31 ASP N N 30 119.400 119.021 0.379 1 1 299 . 22 1 1 A 32 32 TYR H H 31 8.100 7.751 0.349 1 1 300 . 22 1 1 A 32 32 TYR HA H 31 4.520 4.387 0.133 1 1 307 . 22 1 1 A 32 32 TYR CA C 31 58.200 56.654 1.546 1 1 308 . 22 1 1 A 32 32 TYR N N 31 122.100 119.873 2.227 1 1 309 . 22 1 1 A 33 33 ILE HA H 32 4.070 4.307 -0.237 1 1 316 . 22 1 1 A 33 33 ILE CA C 32 58.200 61.091 -2.891 1 1 317 . 22 1 1 A 34 34 ASP H H 33 8.130 7.655 0.475 1 1 318 . 22 1 1 A 34 34 ASP HA H 33 4.380 3.780 0.600 1 1 321 . 22 1 1 A 34 34 ASP CA C 33 57.300 64.383 -7.083 1 1 322 . 22 1 1 A 34 34 ASP CB C 33 40.600 37.403 3.197 1 1 323 . 22 1 1 A 34 34 ASP N N 33 118.100 120.444 -2.344 1 1 324 . 22 1 1 A 35 35 ASN H H 34 7.790 8.232 -0.442 1 1 325 . 22 1 1 A 35 35 ASN HA H 34 4.520 4.298 0.222 1 1 330 . 22 1 1 A 35 35 ASN CA C 34 55.300 57.457 -2.157 1 1 331 . 22 1 1 A 35 35 ASN CB C 34 39.800 40.282 -0.482 1 1 332 . 22 1 1 A 35 35 ASN N N 34 115.600 121.349 -5.749 1 1 333 . 22 1 1 A 36 36 LEU HA H 35 3.750 4.378 -0.628 1 1 343 . 22 1 1 A 36 36 LEU CA C 35 56.300 56.797 -0.497 1 1 344 . 22 1 1 A 37 37 LEU HA H 36 4.280 4.107 0.173 1 1 354 . 22 1 1 A 37 37 LEU CA C 36 55.800 57.853 -2.053 1 1 355 . 22 1 1 A 37 37 LEU CB C 36 42.300 41.774 0.526 1 1 356 . 22 1 1 A 38 38 VAL H H 37 7.500 7.626 -0.126 1 1 357 . 22 1 1 A 38 38 VAL HA H 37 4.070 4.551 -0.481 1 1 365 . 22 1 1 A 38 38 VAL CA C 37 62.800 53.918 8.882 1 1 366 . 22 1 1 A 38 38 VAL CB C 37 33.600 41.426 -7.826 1 1 367 . 22 1 1 A 38 38 VAL N N 37 115.900 113.025 2.875 1 1 368 . 22 1 1 A 39 39 ARG H H 38 7.920 7.961 -0.041 1 1 369 . 22 1 1 A 39 39 ARG HA H 38 4.360 4.434 -0.074 1 1 376 . 22 1 1 A 39 39 ARG CA C 38 60.500 60.183 0.317 1 1 377 . 22 1 1 A 39 39 ARG N N 38 121.300 118.665 2.635 1 1 378 . 22 1 1 A 40 40 VAL H H 39 8.000 8.239 -0.239 1 1 379 . 22 1 1 A 40 40 VAL HA H 39 4.180 4.633 -0.453 1 1 387 . 22 1 1 A 40 40 VAL CA C 39 62.600 55.733 6.867 1 1 388 . 22 1 1 A 40 40 VAL CB C 39 32.600 31.219 1.381 1 1 389 . 22 1 1 A 40 40 VAL N N 39 119.000 125.594 -6.594 1 1 390 . 22 1 1 A 41 41 MET H H 40 7.990 8.737 -0.747 1 1 391 . 22 1 1 A 41 41 MET HA H 40 4.550 4.812 -0.262 1 1 399 . 22 1 1 A 41 41 MET CA C 40 56.900 60.666 -3.766 1 1 400 . 22 1 1 A 41 41 MET CB C 40 33.700 33.535 0.165 1 1 6 . 23 1 1 A 3 3 LEU H H 2 8.530 8.426 0.104 1 1 7 . 23 1 1 A 3 3 LEU HA H 2 4.700 4.616 0.084 1 1 17 . 23 1 1 A 3 3 LEU CA C 2 54.700 58.623 -3.923 1 1 18 . 23 1 1 A 3 3 LEU CB C 2 43.000 64.328 -21.328 1 1 19 . 23 1 1 A 3 3 LEU N N 2 123.300 121.612 1.688 1 1 20 . 23 1 1 A 4 4 THR H H 3 9.520 7.603 1.917 1 1 21 . 23 1 1 A 4 4 THR HA H 3 4.830 4.409 0.421 1 1 26 . 23 1 1 A 4 4 THR CA C 3 61.300 54.521 6.779 1 1 27 . 23 1 1 A 4 4 THR CB C 3 71.100 40.600 30.500 1 1 28 . 23 1 1 A 4 4 THR N N 3 116.200 120.820 -4.620 1 1 29 . 23 1 1 A 5 5 TYR H H 4 9.380 8.303 1.077 1 1 30 . 23 1 1 A 5 5 TYR HA H 4 4.120 4.606 -0.486 1 1 37 . 23 1 1 A 5 5 TYR CA C 4 62.300 60.787 1.513 1 1 38 . 23 1 1 A 5 5 TYR CB C 4 38.600 71.428 -32.828 1 1 39 . 23 1 1 A 5 5 TYR N N 4 121.600 112.440 9.160 1 1 40 . 23 1 1 A 6 6 GLU H H 5 9.000 9.073 -0.073 1 1 41 . 23 1 1 A 6 6 GLU HA H 5 3.900 4.164 -0.264 1 1 46 . 23 1 1 A 6 6 GLU CA C 5 60.500 62.344 -1.844 1 1 47 . 23 1 1 A 6 6 GLU CB C 5 28.700 39.034 -10.334 1 1 48 . 23 1 1 A 6 6 GLU N N 5 115.500 122.137 -6.637 1 1 49 . 23 1 1 A 7 7 GLU H H 6 7.920 8.319 -0.399 1 1 50 . 23 1 1 A 7 7 GLU HA H 6 4.060 4.183 -0.123 1 1 55 . 23 1 1 A 7 7 GLU CA C 6 59.200 58.482 0.718 1 1 56 . 23 1 1 A 7 7 GLU CB C 6 30.400 29.213 1.187 1 1 57 . 23 1 1 A 7 7 GLU N N 6 118.900 118.593 0.307 1 1 58 . 23 1 1 A 8 8 VAL H H 7 8.590 8.234 0.356 1 1 59 . 23 1 1 A 8 8 VAL HA H 7 3.640 4.079 -0.439 1 1 67 . 23 1 1 A 8 8 VAL CA C 7 66.400 58.711 7.689 1 1 68 . 23 1 1 A 8 8 VAL CB C 7 30.800 29.576 1.224 1 1 69 . 23 1 1 A 8 8 VAL N N 7 119.300 120.213 -0.913 1 1 70 . 23 1 1 A 9 9 LEU H H 8 8.230 7.625 0.605 1 1 71 . 23 1 1 A 9 9 LEU HA H 8 3.870 3.784 0.086 1 1 81 . 23 1 1 A 9 9 LEU CA C 8 58.500 64.952 -6.452 1 1 82 . 23 1 1 A 9 9 LEU CB C 8 41.100 31.161 9.939 1 1 83 . 23 1 1 A 9 9 LEU N N 8 120.600 119.430 1.170 1 1 84 . 23 1 1 A 10 10 GLN H H 9 7.910 7.618 0.292 1 1 85 . 23 1 1 A 10 10 GLN HA H 9 4.090 3.706 0.384 1 1 92 . 23 1 1 A 10 10 GLN CA C 9 58.500 58.057 0.443 1 1 93 . 23 1 1 A 10 10 GLN CB C 9 27.900 41.432 -13.532 1 1 94 . 23 1 1 A 10 10 GLN N N 9 117.200 121.113 -3.913 1 1 96 . 23 1 1 A 11 11 GLU H H 10 8.200 7.998 0.202 1 1 97 . 23 1 1 A 11 11 GLU HA H 10 4.210 4.181 0.029 1 1 102 . 23 1 1 A 11 11 GLU CA C 10 58.700 58.728 -0.028 1 1 103 . 23 1 1 A 11 11 GLU CB C 10 29.600 28.666 0.934 1 1 104 . 23 1 1 A 11 11 GLU N N 11 120.200 120.511 -0.311 1 1 105 . 23 1 1 A 12 12 LEU HA H 11 3.910 4.037 -0.127 1 1 115 . 23 1 1 A 12 12 LEU CA C 11 58.900 58.906 -0.006 1 1 116 . 23 1 1 A 12 12 LEU CB C 11 40.900 29.389 11.511 1 1 117 . 23 1 1 A 12 12 LEU N N 11 124.600 120.511 4.089 1 1 118 . 23 1 1 A 13 13 VAL H H 12 8.180 7.874 0.306 1 1 119 . 23 1 1 A 13 13 VAL HA H 12 3.500 3.868 -0.368 1 1 121 . 23 1 1 A 13 13 VAL CA C 12 67.300 58.135 9.165 1 1 122 . 23 1 1 A 13 13 VAL CB C 12 31.500 41.863 -10.363 1 1 123 . 23 1 1 A 13 13 VAL N N 12 120.300 121.938 -1.638 1 1 124 . 23 1 1 A 14 14 LYS H H 13 8.020 7.726 0.294 1 1 125 . 23 1 1 A 14 14 LYS HA H 13 4.080 3.640 0.440 1 1 132 . 23 1 1 A 14 14 LYS CA C 13 59.200 65.450 -6.250 1 1 133 . 23 1 1 A 14 14 LYS CB C 13 31.500 31.690 -0.190 1 1 134 . 23 1 1 A 14 14 LYS N N 13 118.700 118.531 0.169 1 1 135 . 23 1 1 A 15 15 HIS H H 14 8.580 7.682 0.898 1 1 136 . 23 1 1 A 15 15 HIS HA H 14 4.120 4.050 0.070 1 1 141 . 23 1 1 A 15 15 HIS CA C 14 61.900 58.680 3.220 1 1 142 . 23 1 1 A 15 15 HIS CB C 14 32.000 32.421 -0.421 1 1 143 . 23 1 1 A 15 15 HIS N N 14 117.800 121.233 -3.433 1 1 144 . 23 1 1 A 16 16 LYS H H 15 8.670 7.650 1.020 1 1 145 . 23 1 1 A 16 16 LYS HA H 15 4.220 4.386 -0.166 1 1 154 . 23 1 1 A 16 16 LYS N N 15 120.300 118.936 1.364 1 1 155 . 23 1 1 A 17 17 GLU H H 16 7.910 8.235 -0.325 1 1 156 . 23 1 1 A 17 17 GLU HA H 16 4.160 4.022 0.138 1 1 159 . 23 1 1 A 17 17 GLU N N 16 120.000 120.196 -0.196 1 1 160 . 23 1 1 A 18 18 LEU H H 17 8.370 8.403 -0.033 1 1 161 . 23 1 1 A 18 18 LEU HA H 17 4.670 4.202 0.468 1 1 171 . 23 1 1 A 18 18 LEU CB C 17 37.300 29.392 7.908 1 1 172 . 23 1 1 A 18 18 LEU N N 17 121.200 119.828 1.372 1 1 173 . 23 1 1 A 19 19 LEU H H 18 8.450 8.091 0.359 1 1 174 . 23 1 1 A 19 19 LEU HA H 18 3.880 4.080 -0.200 1 1 184 . 23 1 1 A 19 19 LEU N N 18 119.300 120.401 -1.101 1 1 185 . 23 1 1 A 20 20 ARG H H 19 7.620 7.964 -0.344 1 1 186 . 23 1 1 A 20 20 ARG HA H 19 4.240 3.896 0.344 1 1 193 . 23 1 1 A 20 20 ARG CA C 19 59.300 57.870 1.430 1 1 194 . 23 1 1 A 20 20 ARG CB C 19 29.800 41.073 -11.273 1 1 195 . 23 1 1 A 20 20 ARG N N 19 117.900 118.394 -0.494 1 1 196 . 23 1 1 A 21 21 ARG H H 20 8.000 8.096 -0.096 1 1 197 . 23 1 1 A 21 21 ARG HA H 20 4.120 3.974 0.146 1 1 204 . 23 1 1 A 21 21 ARG CA C 20 59.200 59.790 -0.590 1 1 205 . 23 1 1 A 21 21 ARG CB C 20 29.400 30.032 -0.632 1 1 206 . 23 1 1 A 21 21 ARG N N 20 118.300 119.370 -1.070 1 1 207 . 23 1 1 A 22 22 LYS H H 21 8.600 7.733 0.867 1 1 208 . 23 1 1 A 22 22 LYS HA H 21 4.210 4.023 0.187 1 1 217 . 23 1 1 A 22 22 LYS CA C 21 59.000 59.123 -0.123 1 1 218 . 23 1 1 A 22 22 LYS CB C 21 29.400 30.019 -0.619 1 1 219 . 23 1 1 A 22 22 LYS N N 21 120.900 119.832 1.068 1 1 220 . 23 1 1 A 23 23 ASP H H 22 8.560 7.658 0.902 1 1 221 . 23 1 1 A 23 23 ASP HA H 22 4.650 3.994 0.656 1 1 224 . 23 1 1 A 23 23 ASP CA C 22 57.300 59.634 -2.334 1 1 225 . 23 1 1 A 23 23 ASP CB C 22 40.200 32.131 8.069 1 1 226 . 23 1 1 A 23 23 ASP N N 22 119.500 119.176 0.324 1 1 227 . 23 1 1 A 24 24 THR H H 23 8.240 7.827 0.413 1 1 228 . 23 1 1 A 24 24 THR HA H 23 4.380 4.518 -0.138 1 1 233 . 23 1 1 A 24 24 THR CA C 23 66.600 56.894 9.706 1 1 234 . 23 1 1 A 24 24 THR CB C 23 68.400 41.093 27.307 1 1 235 . 23 1 1 A 24 24 THR N N 23 117.800 120.266 -2.466 1 1 236 . 23 1 1 A 25 25 HIS H H 24 7.970 7.831 0.139 1 1 237 . 23 1 1 A 25 25 HIS HA H 24 4.600 3.980 0.620 1 1 241 . 23 1 1 A 25 25 HIS CA C 24 57.000 66.414 -9.414 1 1 242 . 23 1 1 A 25 25 HIS CB C 24 32.000 68.909 -36.909 1 1 243 . 23 1 1 A 25 25 HIS N N 24 122.100 115.349 6.751 1 1 244 . 23 1 1 A 26 26 ILE H H 25 8.760 8.263 0.497 1 1 245 . 23 1 1 A 26 26 ILE HA H 25 4.020 4.381 -0.361 1 1 252 . 23 1 1 A 26 26 ILE CA C 25 61.300 59.997 1.303 1 1 253 . 23 1 1 A 26 26 ILE CB C 25 37.900 30.234 7.666 1 1 254 . 23 1 1 A 26 26 ILE N N 25 119.100 121.606 -2.506 1 1 255 . 23 1 1 A 27 27 ARG H H 26 7.820 7.677 0.143 1 1 256 . 23 1 1 A 27 27 ARG HA H 26 4.210 3.871 0.339 1 1 263 . 23 1 1 A 27 27 ARG CA C 26 58.700 63.993 -5.293 1 1 264 . 23 1 1 A 27 27 ARG CB C 26 29.400 37.547 -8.147 1 1 265 . 23 1 1 A 27 27 ARG N N 26 118.300 116.806 1.494 1 1 266 . 23 1 1 A 28 28 GLU H H 27 8.020 8.045 -0.025 1 1 267 . 23 1 1 A 28 28 GLU HA H 27 4.140 4.093 0.047 1 1 272 . 23 1 1 A 28 28 GLU CA C 27 60.500 58.677 1.823 1 1 273 . 23 1 1 A 28 28 GLU N N 27 118.600 121.718 -3.118 1 1 274 . 23 1 1 A 29 29 LEU H H 28 8.370 8.422 -0.052 1 1 275 . 23 1 1 A 29 29 LEU HA H 28 4.250 4.146 0.104 1 1 285 . 23 1 1 A 29 29 LEU N N 28 121.200 117.768 3.432 1 1 286 . 23 1 1 A 30 30 GLU H H 29 8.910 8.240 0.670 1 1 287 . 23 1 1 A 30 30 GLU HA H 29 4.180 4.503 -0.323 1 1 290 . 23 1 1 A 30 30 GLU CA C 29 60.100 56.718 3.382 1 1 291 . 23 1 1 A 30 30 GLU CB C 29 29.200 41.861 -12.661 1 1 292 . 23 1 1 A 30 30 GLU N N 29 119.000 122.847 -3.847 1 1 293 . 23 1 1 A 31 31 ASP H H 30 8.580 8.183 0.397 1 1 294 . 23 1 1 A 31 31 ASP HA H 30 4.420 4.092 0.328 1 1 297 . 23 1 1 A 31 31 ASP CA C 30 57.000 59.646 -2.646 1 1 298 . 23 1 1 A 31 31 ASP N N 30 119.400 119.540 -0.140 1 1 299 . 23 1 1 A 32 32 TYR H H 31 8.100 7.859 0.241 1 1 300 . 23 1 1 A 32 32 TYR HA H 31 4.520 4.461 0.059 1 1 307 . 23 1 1 A 32 32 TYR CA C 31 58.200 56.679 1.521 1 1 308 . 23 1 1 A 32 32 TYR N N 31 122.100 119.175 2.925 1 1 309 . 23 1 1 A 33 33 ILE HA H 32 4.070 4.321 -0.251 1 1 316 . 23 1 1 A 33 33 ILE CA C 32 58.200 61.185 -2.985 1 1 317 . 23 1 1 A 34 34 ASP H H 33 8.130 7.720 0.410 1 1 318 . 23 1 1 A 34 34 ASP HA H 33 4.380 3.947 0.433 1 1 321 . 23 1 1 A 34 34 ASP CA C 33 57.300 62.672 -5.372 1 1 322 . 23 1 1 A 34 34 ASP CB C 33 40.600 37.713 2.887 1 1 323 . 23 1 1 A 34 34 ASP N N 33 118.100 119.720 -1.620 1 1 324 . 23 1 1 A 35 35 ASN H H 34 7.790 8.109 -0.319 1 1 325 . 23 1 1 A 35 35 ASN HA H 34 4.520 4.391 0.129 1 1 330 . 23 1 1 A 35 35 ASN CA C 34 55.300 57.270 -1.970 1 1 331 . 23 1 1 A 35 35 ASN CB C 34 39.800 40.411 -0.611 1 1 332 . 23 1 1 A 35 35 ASN N N 34 115.600 122.226 -6.626 1 1 333 . 23 1 1 A 36 36 LEU HA H 35 3.750 4.412 -0.662 1 1 343 . 23 1 1 A 36 36 LEU CA C 35 56.300 56.775 -0.475 1 1 344 . 23 1 1 A 37 37 LEU HA H 36 4.280 4.091 0.189 1 1 354 . 23 1 1 A 37 37 LEU CA C 36 55.800 57.608 -1.808 1 1 355 . 23 1 1 A 37 37 LEU CB C 36 42.300 41.896 0.404 1 1 356 . 23 1 1 A 38 38 VAL H H 37 7.500 7.480 0.020 1 1 357 . 23 1 1 A 38 38 VAL HA H 37 4.070 4.577 -0.507 1 1 365 . 23 1 1 A 38 38 VAL CA C 37 62.800 53.854 8.946 1 1 366 . 23 1 1 A 38 38 VAL CB C 37 33.600 41.637 -8.037 1 1 367 . 23 1 1 A 38 38 VAL N N 37 115.900 112.305 3.595 1 1 368 . 23 1 1 A 39 39 ARG H H 38 7.920 7.972 -0.052 1 1 369 . 23 1 1 A 39 39 ARG HA H 38 4.360 4.532 -0.172 1 1 376 . 23 1 1 A 39 39 ARG CA C 38 60.500 60.013 0.487 1 1 377 . 23 1 1 A 39 39 ARG N N 38 121.300 119.562 1.738 1 1 378 . 23 1 1 A 40 40 VAL H H 39 8.000 8.400 -0.400 1 1 379 . 23 1 1 A 40 40 VAL HA H 39 4.180 4.499 -0.319 1 1 387 . 23 1 1 A 40 40 VAL CA C 39 62.600 56.160 6.440 1 1 388 . 23 1 1 A 40 40 VAL CB C 39 32.600 30.735 1.865 1 1 389 . 23 1 1 A 40 40 VAL N N 39 119.000 124.798 -5.798 1 1 390 . 23 1 1 A 41 41 MET H H 40 7.990 8.486 -0.496 1 1 391 . 23 1 1 A 41 41 MET HA H 40 4.550 4.518 0.032 1 1 399 . 23 1 1 A 41 41 MET CA C 40 56.900 61.154 -4.254 1 1 400 . 23 1 1 A 41 41 MET CB C 40 33.700 32.914 0.786 1 1 6 . 24 1 1 A 3 3 LEU H H 2 8.530 8.607 -0.077 1 1 7 . 24 1 1 A 3 3 LEU HA H 2 4.700 4.512 0.188 1 1 17 . 24 1 1 A 3 3 LEU CA C 2 54.700 60.367 -5.667 1 1 18 . 24 1 1 A 3 3 LEU CB C 2 43.000 64.027 -21.027 1 1 19 . 24 1 1 A 3 3 LEU N N 2 123.300 121.839 1.461 1 1 20 . 24 1 1 A 4 4 THR H H 3 9.520 7.797 1.723 1 1 21 . 24 1 1 A 4 4 THR HA H 3 4.830 4.235 0.595 1 1 26 . 24 1 1 A 4 4 THR CA C 3 61.300 54.727 6.573 1 1 27 . 24 1 1 A 4 4 THR CB C 3 71.100 41.119 29.981 1 1 28 . 24 1 1 A 4 4 THR N N 3 116.200 116.418 -0.218 1 1 29 . 24 1 1 A 5 5 TYR H H 4 9.380 8.542 0.838 1 1 30 . 24 1 1 A 5 5 TYR HA H 4 4.120 4.640 -0.520 1 1 37 . 24 1 1 A 5 5 TYR CA C 4 62.300 60.901 1.399 1 1 38 . 24 1 1 A 5 5 TYR CB C 4 38.600 70.903 -32.303 1 1 39 . 24 1 1 A 5 5 TYR N N 4 121.600 110.982 10.618 1 1 40 . 24 1 1 A 6 6 GLU H H 5 9.000 9.079 -0.079 1 1 41 . 24 1 1 A 6 6 GLU HA H 5 3.900 4.147 -0.247 1 1 46 . 24 1 1 A 6 6 GLU CA C 5 60.500 62.373 -1.873 1 1 47 . 24 1 1 A 6 6 GLU CB C 5 28.700 38.922 -10.222 1 1 48 . 24 1 1 A 6 6 GLU N N 5 115.500 122.134 -6.634 1 1 49 . 24 1 1 A 7 7 GLU H H 6 7.920 8.498 -0.578 1 1 50 . 24 1 1 A 7 7 GLU HA H 6 4.060 3.789 0.271 1 1 55 . 24 1 1 A 7 7 GLU CA C 6 59.200 59.612 -0.412 1 1 56 . 24 1 1 A 7 7 GLU CB C 6 30.400 29.390 1.010 1 1 57 . 24 1 1 A 7 7 GLU N N 6 118.900 119.151 -0.251 1 1 58 . 24 1 1 A 8 8 VAL H H 7 8.590 8.332 0.258 1 1 59 . 24 1 1 A 8 8 VAL HA H 7 3.640 4.071 -0.431 1 1 67 . 24 1 1 A 8 8 VAL CA C 7 66.400 58.645 7.755 1 1 68 . 24 1 1 A 8 8 VAL CB C 7 30.800 29.573 1.227 1 1 69 . 24 1 1 A 8 8 VAL N N 7 119.300 119.037 0.263 1 1 70 . 24 1 1 A 9 9 LEU H H 8 8.230 7.962 0.268 1 1 71 . 24 1 1 A 9 9 LEU HA H 8 3.870 3.806 0.064 1 1 81 . 24 1 1 A 9 9 LEU CA C 8 58.500 65.190 -6.690 1 1 82 . 24 1 1 A 9 9 LEU CB C 8 41.100 31.128 9.972 1 1 83 . 24 1 1 A 9 9 LEU N N 8 120.600 119.373 1.227 1 1 84 . 24 1 1 A 10 10 GLN H H 9 7.910 7.741 0.169 1 1 85 . 24 1 1 A 10 10 GLN HA H 9 4.090 3.683 0.407 1 1 92 . 24 1 1 A 10 10 GLN CA C 9 58.500 58.136 0.364 1 1 93 . 24 1 1 A 10 10 GLN CB C 9 27.900 41.477 -13.577 1 1 94 . 24 1 1 A 10 10 GLN N N 9 117.200 121.407 -4.207 1 1 96 . 24 1 1 A 11 11 GLU H H 10 8.200 8.181 0.019 1 1 97 . 24 1 1 A 11 11 GLU HA H 10 4.210 3.874 0.336 1 1 102 . 24 1 1 A 11 11 GLU CA C 10 58.700 59.283 -0.583 1 1 103 . 24 1 1 A 11 11 GLU CB C 10 29.600 28.238 1.362 1 1 104 . 24 1 1 A 11 11 GLU N N 11 120.200 119.769 0.431 1 1 105 . 24 1 1 A 12 12 LEU HA H 11 3.910 4.001 -0.091 1 1 115 . 24 1 1 A 12 12 LEU CA C 11 58.900 59.053 -0.153 1 1 116 . 24 1 1 A 12 12 LEU CB C 11 40.900 29.291 11.609 1 1 117 . 24 1 1 A 12 12 LEU N N 11 124.600 119.769 4.831 1 1 118 . 24 1 1 A 13 13 VAL H H 12 8.180 7.840 0.340 1 1 119 . 24 1 1 A 13 13 VAL HA H 12 3.500 3.851 -0.351 1 1 121 . 24 1 1 A 13 13 VAL CA C 12 67.300 58.191 9.109 1 1 122 . 24 1 1 A 13 13 VAL CB C 12 31.500 41.629 -10.129 1 1 123 . 24 1 1 A 13 13 VAL N N 12 120.300 121.481 -1.181 1 1 124 . 24 1 1 A 14 14 LYS H H 13 8.020 8.268 -0.248 1 1 125 . 24 1 1 A 14 14 LYS HA H 13 4.080 3.717 0.363 1 1 132 . 24 1 1 A 14 14 LYS CA C 13 59.200 65.187 -5.987 1 1 133 . 24 1 1 A 14 14 LYS CB C 13 31.500 31.232 0.268 1 1 134 . 24 1 1 A 14 14 LYS N N 13 118.700 119.047 -0.347 1 1 135 . 24 1 1 A 15 15 HIS H H 14 8.580 7.756 0.824 1 1 136 . 24 1 1 A 15 15 HIS HA H 14 4.120 4.079 0.041 1 1 141 . 24 1 1 A 15 15 HIS CA C 14 61.900 59.510 2.390 1 1 142 . 24 1 1 A 15 15 HIS CB C 14 32.000 32.666 -0.666 1 1 143 . 24 1 1 A 15 15 HIS N N 14 117.800 121.607 -3.807 1 1 144 . 24 1 1 A 16 16 LYS H H 15 8.670 7.973 0.697 1 1 145 . 24 1 1 A 16 16 LYS HA H 15 4.220 4.228 -0.008 1 1 154 . 24 1 1 A 16 16 LYS N N 15 120.300 117.887 2.413 1 1 155 . 24 1 1 A 17 17 GLU H H 16 7.910 8.374 -0.464 1 1 156 . 24 1 1 A 17 17 GLU HA H 16 4.160 3.821 0.339 1 1 159 . 24 1 1 A 17 17 GLU N N 16 120.000 118.487 1.513 1 1 160 . 24 1 1 A 18 18 LEU H H 17 8.370 8.253 0.117 1 1 161 . 24 1 1 A 18 18 LEU HA H 17 4.670 4.101 0.569 1 1 171 . 24 1 1 A 18 18 LEU CB C 17 37.300 29.243 8.057 1 1 172 . 24 1 1 A 18 18 LEU N N 17 121.200 119.725 1.475 1 1 173 . 24 1 1 A 19 19 LEU H H 18 8.450 8.306 0.144 1 1 174 . 24 1 1 A 19 19 LEU HA H 18 3.880 4.065 -0.185 1 1 184 . 24 1 1 A 19 19 LEU N N 18 119.300 119.832 -0.532 1 1 185 . 24 1 1 A 20 20 ARG H H 19 7.620 8.110 -0.490 1 1 186 . 24 1 1 A 20 20 ARG HA H 19 4.240 4.020 0.220 1 1 193 . 24 1 1 A 20 20 ARG CA C 19 59.300 57.024 2.276 1 1 194 . 24 1 1 A 20 20 ARG CB C 19 29.800 41.400 -11.600 1 1 195 . 24 1 1 A 20 20 ARG N N 19 117.900 120.161 -2.261 1 1 196 . 24 1 1 A 21 21 ARG H H 20 8.000 7.867 0.133 1 1 197 . 24 1 1 A 21 21 ARG HA H 20 4.120 4.085 0.035 1 1 204 . 24 1 1 A 21 21 ARG CA C 20 59.200 59.304 -0.104 1 1 205 . 24 1 1 A 21 21 ARG CB C 20 29.400 30.350 -0.950 1 1 206 . 24 1 1 A 21 21 ARG N N 20 118.300 120.555 -2.255 1 1 207 . 24 1 1 A 22 22 LYS H H 21 8.600 7.926 0.674 1 1 208 . 24 1 1 A 22 22 LYS HA H 21 4.210 4.056 0.154 1 1 217 . 24 1 1 A 22 22 LYS CA C 21 59.000 59.249 -0.249 1 1 218 . 24 1 1 A 22 22 LYS CB C 21 29.400 29.934 -0.534 1 1 219 . 24 1 1 A 22 22 LYS N N 21 120.900 119.756 1.144 1 1 220 . 24 1 1 A 23 23 ASP H H 22 8.560 7.673 0.887 1 1 221 . 24 1 1 A 23 23 ASP HA H 22 4.650 3.993 0.657 1 1 224 . 24 1 1 A 23 23 ASP CA C 22 57.300 59.424 -2.124 1 1 225 . 24 1 1 A 23 23 ASP CB C 22 40.200 32.112 8.088 1 1 226 . 24 1 1 A 23 23 ASP N N 22 119.500 119.242 0.258 1 1 227 . 24 1 1 A 24 24 THR H H 23 8.240 7.561 0.679 1 1 228 . 24 1 1 A 24 24 THR HA H 23 4.380 4.507 -0.127 1 1 233 . 24 1 1 A 24 24 THR CA C 23 66.600 56.926 9.674 1 1 234 . 24 1 1 A 24 24 THR CB C 23 68.400 40.798 27.602 1 1 235 . 24 1 1 A 24 24 THR N N 23 117.800 119.098 -1.298 1 1 236 . 24 1 1 A 25 25 HIS H H 24 7.970 8.190 -0.220 1 1 237 . 24 1 1 A 25 25 HIS HA H 24 4.600 3.974 0.626 1 1 241 . 24 1 1 A 25 25 HIS CA C 24 57.000 66.698 -9.698 1 1 242 . 24 1 1 A 25 25 HIS CB C 24 32.000 68.128 -36.128 1 1 243 . 24 1 1 A 25 25 HIS N N 24 122.100 117.176 4.924 1 1 244 . 24 1 1 A 26 26 ILE H H 25 8.760 8.067 0.693 1 1 245 . 24 1 1 A 26 26 ILE HA H 25 4.020 4.391 -0.371 1 1 252 . 24 1 1 A 26 26 ILE CA C 25 61.300 60.033 1.267 1 1 253 . 24 1 1 A 26 26 ILE CB C 25 37.900 30.437 7.463 1 1 254 . 24 1 1 A 26 26 ILE N N 25 119.100 121.317 -2.217 1 1 255 . 24 1 1 A 27 27 ARG H H 26 7.820 7.658 0.162 1 1 256 . 24 1 1 A 27 27 ARG HA H 26 4.210 3.778 0.432 1 1 263 . 24 1 1 A 27 27 ARG CA C 26 58.700 64.857 -6.157 1 1 264 . 24 1 1 A 27 27 ARG CB C 26 29.400 37.462 -8.062 1 1 265 . 24 1 1 A 27 27 ARG N N 26 118.300 118.183 0.117 1 1 266 . 24 1 1 A 28 28 GLU H H 27 8.020 8.072 -0.052 1 1 267 . 24 1 1 A 28 28 GLU HA H 27 4.140 3.918 0.222 1 1 272 . 24 1 1 A 28 28 GLU CA C 27 60.500 59.592 0.908 1 1 273 . 24 1 1 A 28 28 GLU N N 27 118.600 121.625 -3.025 1 1 274 . 24 1 1 A 29 29 LEU H H 28 8.370 7.914 0.456 1 1 275 . 24 1 1 A 29 29 LEU HA H 28 4.250 4.143 0.107 1 1 285 . 24 1 1 A 29 29 LEU N N 28 121.200 119.362 1.838 1 1 286 . 24 1 1 A 30 30 GLU H H 29 8.910 8.825 0.085 1 1 287 . 24 1 1 A 30 30 GLU HA H 29 4.180 4.097 0.083 1 1 290 . 24 1 1 A 30 30 GLU CA C 29 60.100 57.822 2.278 1 1 291 . 24 1 1 A 30 30 GLU CB C 29 29.200 40.812 -11.612 1 1 292 . 24 1 1 A 30 30 GLU N N 29 119.000 120.090 -1.090 1 1 293 . 24 1 1 A 31 31 ASP H H 30 8.580 7.916 0.664 1 1 294 . 24 1 1 A 31 31 ASP HA H 30 4.420 4.037 0.383 1 1 297 . 24 1 1 A 31 31 ASP CA C 30 57.000 59.738 -2.738 1 1 298 . 24 1 1 A 31 31 ASP N N 30 119.400 120.110 -0.710 1 1 299 . 24 1 1 A 32 32 TYR H H 31 8.100 7.821 0.279 1 1 300 . 24 1 1 A 32 32 TYR HA H 31 4.520 4.316 0.204 1 1 307 . 24 1 1 A 32 32 TYR CA C 31 58.200 57.101 1.099 1 1 308 . 24 1 1 A 32 32 TYR N N 31 122.100 119.570 2.530 1 1 309 . 24 1 1 A 33 33 ILE HA H 32 4.070 4.329 -0.259 1 1 316 . 24 1 1 A 33 33 ILE CA C 32 58.200 61.027 -2.827 1 1 317 . 24 1 1 A 34 34 ASP H H 33 8.130 8.062 0.068 1 1 318 . 24 1 1 A 34 34 ASP HA H 33 4.380 3.727 0.653 1 1 321 . 24 1 1 A 34 34 ASP CA C 33 57.300 64.278 -6.978 1 1 322 . 24 1 1 A 34 34 ASP CB C 33 40.600 36.795 3.805 1 1 323 . 24 1 1 A 34 34 ASP N N 33 118.100 120.486 -2.386 1 1 324 . 24 1 1 A 35 35 ASN H H 34 7.790 8.212 -0.422 1 1 325 . 24 1 1 A 35 35 ASN HA H 34 4.520 4.414 0.106 1 1 330 . 24 1 1 A 35 35 ASN CA C 34 55.300 57.480 -2.180 1 1 331 . 24 1 1 A 35 35 ASN CB C 34 39.800 40.231 -0.431 1 1 332 . 24 1 1 A 35 35 ASN N N 34 115.600 122.328 -6.728 1 1 333 . 24 1 1 A 36 36 LEU HA H 35 3.750 4.378 -0.628 1 1 343 . 24 1 1 A 36 36 LEU CA C 35 56.300 56.802 -0.502 1 1 344 . 24 1 1 A 37 37 LEU HA H 36 4.280 4.032 0.248 1 1 354 . 24 1 1 A 37 37 LEU CA C 36 55.800 57.884 -2.084 1 1 355 . 24 1 1 A 37 37 LEU CB C 36 42.300 41.464 0.836 1 1 356 . 24 1 1 A 38 38 VAL H H 37 7.500 7.567 -0.067 1 1 357 . 24 1 1 A 38 38 VAL HA H 37 4.070 4.530 -0.460 1 1 365 . 24 1 1 A 38 38 VAL CA C 37 62.800 53.878 8.922 1 1 366 . 24 1 1 A 38 38 VAL CB C 37 33.600 41.503 -7.903 1 1 367 . 24 1 1 A 38 38 VAL N N 37 115.900 112.340 3.560 1 1 368 . 24 1 1 A 39 39 ARG H H 38 7.920 7.804 0.116 1 1 369 . 24 1 1 A 39 39 ARG HA H 38 4.360 4.322 0.038 1 1 376 . 24 1 1 A 39 39 ARG CA C 38 60.500 60.362 0.138 1 1 377 . 24 1 1 A 39 39 ARG N N 38 121.300 118.935 2.365 1 1 378 . 24 1 1 A 40 40 VAL H H 39 8.000 8.357 -0.357 1 1 379 . 24 1 1 A 40 40 VAL HA H 39 4.180 4.255 -0.075 1 1 387 . 24 1 1 A 40 40 VAL CA C 39 62.600 57.178 5.422 1 1 388 . 24 1 1 A 40 40 VAL CB C 39 32.600 30.918 1.682 1 1 389 . 24 1 1 A 40 40 VAL N N 39 119.000 126.744 -7.744 1 1 390 . 24 1 1 A 41 41 MET H H 40 7.990 8.692 -0.702 1 1 391 . 24 1 1 A 41 41 MET HA H 40 4.550 4.836 -0.286 1 1 399 . 24 1 1 A 41 41 MET CA C 40 56.900 60.746 -3.846 1 1 400 . 24 1 1 A 41 41 MET CB C 40 33.700 33.568 0.132 1 1 6 . 25 1 1 A 3 3 LEU H H 2 8.530 8.567 -0.037 1 1 7 . 25 1 1 A 3 3 LEU HA H 2 4.700 4.554 0.146 1 1 17 . 25 1 1 A 3 3 LEU CA C 2 54.700 59.482 -4.782 1 1 18 . 25 1 1 A 3 3 LEU CB C 2 43.000 64.096 -21.096 1 1 19 . 25 1 1 A 3 3 LEU N N 2 123.300 121.975 1.325 1 1 20 . 25 1 1 A 4 4 THR H H 3 9.520 7.820 1.700 1 1 21 . 25 1 1 A 4 4 THR HA H 3 4.830 4.281 0.549 1 1 26 . 25 1 1 A 4 4 THR CA C 3 61.300 54.716 6.584 1 1 27 . 25 1 1 A 4 4 THR CB C 3 71.100 41.024 30.076 1 1 28 . 25 1 1 A 4 4 THR N N 3 116.200 116.708 -0.508 1 1 29 . 25 1 1 A 5 5 TYR H H 4 9.380 8.431 0.949 1 1 30 . 25 1 1 A 5 5 TYR HA H 4 4.120 4.660 -0.540 1 1 37 . 25 1 1 A 5 5 TYR CA C 4 62.300 60.832 1.468 1 1 38 . 25 1 1 A 5 5 TYR CB C 4 38.600 71.079 -32.479 1 1 39 . 25 1 1 A 5 5 TYR N N 4 121.600 111.624 9.976 1 1 40 . 25 1 1 A 6 6 GLU H H 5 9.000 9.172 -0.172 1 1 41 . 25 1 1 A 6 6 GLU HA H 5 3.900 4.173 -0.273 1 1 46 . 25 1 1 A 6 6 GLU CA C 5 60.500 62.368 -1.868 1 1 47 . 25 1 1 A 6 6 GLU CB C 5 28.700 39.360 -10.660 1 1 48 . 25 1 1 A 6 6 GLU N N 5 115.500 122.002 -6.502 1 1 49 . 25 1 1 A 7 7 GLU H H 6 7.920 8.393 -0.473 1 1 50 . 25 1 1 A 7 7 GLU HA H 6 4.060 4.247 -0.187 1 1 55 . 25 1 1 A 7 7 GLU CA C 6 59.200 59.345 -0.145 1 1 56 . 25 1 1 A 7 7 GLU CB C 6 30.400 29.204 1.196 1 1 57 . 25 1 1 A 7 7 GLU N N 6 118.900 118.988 -0.088 1 1 58 . 25 1 1 A 8 8 VAL H H 7 8.590 8.497 0.093 1 1 59 . 25 1 1 A 8 8 VAL HA H 7 3.640 4.121 -0.481 1 1 67 . 25 1 1 A 8 8 VAL CA C 7 66.400 58.796 7.604 1 1 68 . 25 1 1 A 8 8 VAL CB C 7 30.800 29.515 1.285 1 1 69 . 25 1 1 A 8 8 VAL N N 7 119.300 120.636 -1.336 1 1 70 . 25 1 1 A 9 9 LEU H H 8 8.230 7.574 0.656 1 1 71 . 25 1 1 A 9 9 LEU HA H 8 3.870 3.815 0.055 1 1 81 . 25 1 1 A 9 9 LEU CA C 8 58.500 64.996 -6.496 1 1 82 . 25 1 1 A 9 9 LEU CB C 8 41.100 31.324 9.776 1 1 83 . 25 1 1 A 9 9 LEU N N 8 120.600 119.155 1.445 1 1 84 . 25 1 1 A 10 10 GLN H H 9 7.910 7.987 -0.077 1 1 85 . 25 1 1 A 10 10 GLN HA H 9 4.090 3.920 0.170 1 1 92 . 25 1 1 A 10 10 GLN CA C 9 58.500 58.271 0.229 1 1 93 . 25 1 1 A 10 10 GLN CB C 9 27.900 41.753 -13.853 1 1 94 . 25 1 1 A 10 10 GLN N N 9 117.200 121.368 -4.168 1 1 96 . 25 1 1 A 11 11 GLU H H 10 8.200 8.142 0.058 1 1 97 . 25 1 1 A 11 11 GLU HA H 10 4.210 4.146 0.064 1 1 102 . 25 1 1 A 11 11 GLU CA C 10 58.700 58.968 -0.268 1 1 103 . 25 1 1 A 11 11 GLU CB C 10 29.600 28.497 1.103 1 1 104 . 25 1 1 A 11 11 GLU N N 11 120.200 119.992 0.208 1 1 105 . 25 1 1 A 12 12 LEU HA H 11 3.910 4.068 -0.158 1 1 115 . 25 1 1 A 12 12 LEU CA C 11 58.900 59.351 -0.451 1 1 116 . 25 1 1 A 12 12 LEU CB C 11 40.900 28.882 12.018 1 1 117 . 25 1 1 A 12 12 LEU N N 11 124.600 119.992 4.608 1 1 118 . 25 1 1 A 13 13 VAL H H 12 8.180 7.538 0.642 1 1 119 . 25 1 1 A 13 13 VAL HA H 12 3.500 3.931 -0.431 1 1 121 . 25 1 1 A 13 13 VAL CA C 12 67.300 57.784 9.516 1 1 122 . 25 1 1 A 13 13 VAL CB C 12 31.500 41.811 -10.311 1 1 123 . 25 1 1 A 13 13 VAL N N 12 120.300 122.247 -1.947 1 1 124 . 25 1 1 A 14 14 LYS H H 13 8.020 7.913 0.107 1 1 125 . 25 1 1 A 14 14 LYS HA H 13 4.080 3.904 0.176 1 1 132 . 25 1 1 A 14 14 LYS CA C 13 59.200 64.589 -5.389 1 1 133 . 25 1 1 A 14 14 LYS CB C 13 31.500 31.664 -0.164 1 1 134 . 25 1 1 A 14 14 LYS N N 13 118.700 118.485 0.215 1 1 135 . 25 1 1 A 15 15 HIS H H 14 8.580 8.010 0.570 1 1 136 . 25 1 1 A 15 15 HIS HA H 14 4.120 4.113 0.007 1 1 141 . 25 1 1 A 15 15 HIS CA C 14 61.900 58.824 3.076 1 1 142 . 25 1 1 A 15 15 HIS CB C 14 32.000 32.781 -0.781 1 1 143 . 25 1 1 A 15 15 HIS N N 14 117.800 122.001 -4.201 1 1 144 . 25 1 1 A 16 16 LYS H H 15 8.670 8.200 0.470 1 1 145 . 25 1 1 A 16 16 LYS HA H 15 4.220 4.201 0.019 1 1 154 . 25 1 1 A 16 16 LYS N N 15 120.300 118.759 1.541 1 1 155 . 25 1 1 A 17 17 GLU H H 16 7.910 8.049 -0.139 1 1 156 . 25 1 1 A 17 17 GLU HA H 16 4.160 3.877 0.283 1 1 159 . 25 1 1 A 17 17 GLU N N 16 120.000 119.005 0.995 1 1 160 . 25 1 1 A 18 18 LEU H H 17 8.370 8.181 0.189 1 1 161 . 25 1 1 A 18 18 LEU HA H 17 4.670 4.234 0.436 1 1 171 . 25 1 1 A 18 18 LEU CB C 17 37.300 29.577 7.723 1 1 172 . 25 1 1 A 18 18 LEU N N 17 121.200 119.656 1.544 1 1 173 . 25 1 1 A 19 19 LEU H H 18 8.450 8.253 0.197 1 1 174 . 25 1 1 A 19 19 LEU HA H 18 3.880 4.034 -0.154 1 1 184 . 25 1 1 A 19 19 LEU N N 18 119.300 120.392 -1.092 1 1 185 . 25 1 1 A 20 20 ARG H H 19 7.620 8.379 -0.759 1 1 186 . 25 1 1 A 20 20 ARG HA H 19 4.240 3.924 0.316 1 1 193 . 25 1 1 A 20 20 ARG CA C 19 59.300 57.779 1.521 1 1 194 . 25 1 1 A 20 20 ARG CB C 19 29.800 41.228 -11.428 1 1 195 . 25 1 1 A 20 20 ARG N N 19 117.900 118.294 -0.394 1 1 196 . 25 1 1 A 21 21 ARG H H 20 8.000 8.119 -0.119 1 1 197 . 25 1 1 A 21 21 ARG HA H 20 4.120 3.980 0.140 1 1 204 . 25 1 1 A 21 21 ARG CA C 20 59.200 59.872 -0.672 1 1 205 . 25 1 1 A 21 21 ARG CB C 20 29.400 29.991 -0.591 1 1 206 . 25 1 1 A 21 21 ARG N N 20 118.300 119.391 -1.091 1 1 207 . 25 1 1 A 22 22 LYS H H 21 8.600 7.860 0.740 1 1 208 . 25 1 1 A 22 22 LYS HA H 21 4.210 4.041 0.169 1 1 217 . 25 1 1 A 22 22 LYS CA C 21 59.000 59.214 -0.214 1 1 218 . 25 1 1 A 22 22 LYS CB C 21 29.400 30.033 -0.633 1 1 219 . 25 1 1 A 22 22 LYS N N 21 120.900 119.933 0.967 1 1 220 . 25 1 1 A 23 23 ASP H H 22 8.560 7.629 0.931 1 1 221 . 25 1 1 A 23 23 ASP HA H 22 4.650 3.978 0.672 1 1 224 . 25 1 1 A 23 23 ASP CA C 22 57.300 59.644 -2.344 1 1 225 . 25 1 1 A 23 23 ASP CB C 22 40.200 32.097 8.103 1 1 226 . 25 1 1 A 23 23 ASP N N 22 119.500 118.937 0.563 1 1 227 . 25 1 1 A 24 24 THR H H 23 8.240 7.901 0.339 1 1 228 . 25 1 1 A 24 24 THR HA H 23 4.380 4.427 -0.047 1 1 233 . 25 1 1 A 24 24 THR CA C 23 66.600 57.077 9.523 1 1 234 . 25 1 1 A 24 24 THR CB C 23 68.400 40.696 27.704 1 1 235 . 25 1 1 A 24 24 THR N N 23 117.800 120.084 -2.284 1 1 236 . 25 1 1 A 25 25 HIS H H 24 7.970 8.010 -0.040 1 1 237 . 25 1 1 A 25 25 HIS HA H 24 4.600 3.944 0.656 1 1 241 . 25 1 1 A 25 25 HIS CA C 24 57.000 66.419 -9.419 1 1 242 . 25 1 1 A 25 25 HIS CB C 24 32.000 68.933 -36.933 1 1 243 . 25 1 1 A 25 25 HIS N N 24 122.100 114.843 7.257 1 1 244 . 25 1 1 A 26 26 ILE H H 25 8.760 8.429 0.331 1 1 245 . 25 1 1 A 26 26 ILE HA H 25 4.020 4.430 -0.410 1 1 252 . 25 1 1 A 26 26 ILE CA C 25 61.300 60.537 0.763 1 1 253 . 25 1 1 A 26 26 ILE CB C 25 37.900 30.526 7.374 1 1 254 . 25 1 1 A 26 26 ILE N N 25 119.100 122.241 -3.141 1 1 255 . 25 1 1 A 27 27 ARG H H 26 7.820 7.931 -0.111 1 1 256 . 25 1 1 A 27 27 ARG HA H 26 4.210 3.773 0.437 1 1 263 . 25 1 1 A 27 27 ARG CA C 26 58.700 64.963 -6.263 1 1 264 . 25 1 1 A 27 27 ARG CB C 26 29.400 37.775 -8.375 1 1 265 . 25 1 1 A 27 27 ARG N N 26 118.300 117.542 0.758 1 1 266 . 25 1 1 A 28 28 GLU H H 27 8.020 8.398 -0.378 1 1 267 . 25 1 1 A 28 28 GLU HA H 27 4.140 3.887 0.253 1 1 272 . 25 1 1 A 28 28 GLU CA C 27 60.500 60.006 0.494 1 1 273 . 25 1 1 A 28 28 GLU N N 27 118.600 122.002 -3.402 1 1 274 . 25 1 1 A 29 29 LEU H H 28 8.370 8.315 0.055 1 1 275 . 25 1 1 A 29 29 LEU HA H 28 4.250 4.084 0.166 1 1 285 . 25 1 1 A 29 29 LEU N N 28 121.200 117.435 3.765 1 1 286 . 25 1 1 A 30 30 GLU H H 29 8.910 8.126 0.784 1 1 287 . 25 1 1 A 30 30 GLU HA H 29 4.180 4.407 -0.227 1 1 290 . 25 1 1 A 30 30 GLU CA C 29 60.100 56.880 3.220 1 1 291 . 25 1 1 A 30 30 GLU CB C 29 29.200 41.917 -12.717 1 1 292 . 25 1 1 A 30 30 GLU N N 29 119.000 122.252 -3.252 1 1 293 . 25 1 1 A 31 31 ASP H H 30 8.580 7.962 0.618 1 1 294 . 25 1 1 A 31 31 ASP HA H 30 4.420 4.138 0.282 1 1 297 . 25 1 1 A 31 31 ASP CA C 30 57.000 59.567 -2.567 1 1 298 . 25 1 1 A 31 31 ASP N N 30 119.400 119.056 0.344 1 1 299 . 25 1 1 A 32 32 TYR H H 31 8.100 7.965 0.135 1 1 300 . 25 1 1 A 32 32 TYR HA H 31 4.520 4.463 0.057 1 1 307 . 25 1 1 A 32 32 TYR CA C 31 58.200 56.579 1.621 1 1 308 . 25 1 1 A 32 32 TYR N N 31 122.100 119.377 2.723 1 1 309 . 25 1 1 A 33 33 ILE HA H 32 4.070 4.332 -0.262 1 1 316 . 25 1 1 A 33 33 ILE CA C 32 58.200 61.006 -2.806 1 1 317 . 25 1 1 A 34 34 ASP H H 33 8.130 7.580 0.550 1 1 318 . 25 1 1 A 34 34 ASP HA H 33 4.380 3.932 0.448 1 1 321 . 25 1 1 A 34 34 ASP CA C 33 57.300 63.046 -5.746 1 1 322 . 25 1 1 A 34 34 ASP CB C 33 40.600 37.727 2.873 1 1 323 . 25 1 1 A 34 34 ASP N N 33 118.100 120.076 -1.976 1 1 324 . 25 1 1 A 35 35 ASN H H 34 7.790 8.187 -0.397 1 1 325 . 25 1 1 A 35 35 ASN HA H 34 4.520 4.430 0.090 1 1 330 . 25 1 1 A 35 35 ASN CA C 34 55.300 57.311 -2.011 1 1 331 . 25 1 1 A 35 35 ASN CB C 34 39.800 40.673 -0.873 1 1 332 . 25 1 1 A 35 35 ASN N N 34 115.600 122.326 -6.726 1 1 333 . 25 1 1 A 36 36 LEU HA H 35 3.750 4.408 -0.658 1 1 343 . 25 1 1 A 36 36 LEU CA C 35 56.300 56.765 -0.465 1 1 344 . 25 1 1 A 37 37 LEU HA H 36 4.280 4.054 0.226 1 1 354 . 25 1 1 A 37 37 LEU CA C 36 55.800 57.640 -1.840 1 1 355 . 25 1 1 A 37 37 LEU CB C 36 42.300 42.130 0.170 1 1 356 . 25 1 1 A 38 38 VAL H H 37 7.500 7.463 0.037 1 1 357 . 25 1 1 A 38 38 VAL HA H 37 4.070 4.588 -0.518 1 1 365 . 25 1 1 A 38 38 VAL CA C 37 62.800 53.848 8.952 1 1 366 . 25 1 1 A 38 38 VAL CB C 37 33.600 41.637 -8.037 1 1 367 . 25 1 1 A 38 38 VAL N N 37 115.900 112.278 3.622 1 1 368 . 25 1 1 A 39 39 ARG H H 38 7.920 7.948 -0.028 1 1 369 . 25 1 1 A 39 39 ARG HA H 38 4.360 4.509 -0.149 1 1 376 . 25 1 1 A 39 39 ARG CA C 38 60.500 60.051 0.449 1 1 377 . 25 1 1 A 39 39 ARG N N 38 121.300 118.676 2.624 1 1 378 . 25 1 1 A 40 40 VAL H H 39 8.000 8.457 -0.457 1 1 379 . 25 1 1 A 40 40 VAL HA H 39 4.180 4.526 -0.346 1 1 387 . 25 1 1 A 40 40 VAL CA C 39 62.600 55.905 6.695 1 1 388 . 25 1 1 A 40 40 VAL CB C 39 32.600 30.836 1.764 1 1 389 . 25 1 1 A 40 40 VAL N N 39 119.000 125.478 -6.478 1 1 390 . 25 1 1 A 41 41 MET H H 40 7.990 8.422 -0.432 1 1 391 . 25 1 1 A 41 41 MET HA H 40 4.550 4.366 0.184 1 1 399 . 25 1 1 A 41 41 MET CA C 40 56.900 61.422 -4.522 1 1 400 . 25 1 1 A 41 41 MET CB C 40 33.700 32.900 0.800 1 1 6 . 26 1 1 A 3 3 LEU H H 2 8.530 8.483 0.047 1 1 7 . 26 1 1 A 3 3 LEU HA H 2 4.700 4.608 0.092 1 1 17 . 26 1 1 A 3 3 LEU CA C 2 54.700 58.347 -3.647 1 1 18 . 26 1 1 A 3 3 LEU CB C 2 43.000 63.993 -20.993 1 1 19 . 26 1 1 A 3 3 LEU N N 2 123.300 121.741 1.559 1 1 20 . 26 1 1 A 4 4 THR H H 3 9.520 7.932 1.588 1 1 21 . 26 1 1 A 4 4 THR HA H 3 4.830 4.328 0.502 1 1 26 . 26 1 1 A 4 4 THR CA C 3 61.300 54.746 6.554 1 1 27 . 26 1 1 A 4 4 THR CB C 3 71.100 41.453 29.647 1 1 28 . 26 1 1 A 4 4 THR N N 3 116.200 116.692 -0.492 1 1 29 . 26 1 1 A 5 5 TYR H H 4 9.380 7.995 1.385 1 1 30 . 26 1 1 A 5 5 TYR HA H 4 4.120 4.779 -0.659 1 1 37 . 26 1 1 A 5 5 TYR CA C 4 62.300 60.630 1.670 1 1 38 . 26 1 1 A 5 5 TYR CB C 4 38.600 71.446 -32.846 1 1 39 . 26 1 1 A 5 5 TYR N N 4 121.600 110.647 10.953 1 1 40 . 26 1 1 A 6 6 GLU H H 5 9.000 9.075 -0.075 1 1 41 . 26 1 1 A 6 6 GLU HA H 5 3.900 4.212 -0.312 1 1 46 . 26 1 1 A 6 6 GLU CA C 5 60.500 61.688 -1.188 1 1 47 . 26 1 1 A 6 6 GLU CB C 5 28.700 38.870 -10.170 1 1 48 . 26 1 1 A 6 6 GLU N N 5 115.500 122.088 -6.588 1 1 49 . 26 1 1 A 7 7 GLU H H 6 7.920 8.641 -0.721 1 1 50 . 26 1 1 A 7 7 GLU HA H 6 4.060 3.933 0.127 1 1 55 . 26 1 1 A 7 7 GLU CA C 6 59.200 58.159 1.041 1 1 56 . 26 1 1 A 7 7 GLU CB C 6 30.400 29.218 1.182 1 1 57 . 26 1 1 A 7 7 GLU N N 6 118.900 118.346 0.554 1 1 58 . 26 1 1 A 8 8 VAL H H 7 8.590 8.151 0.439 1 1 59 . 26 1 1 A 8 8 VAL HA H 7 3.640 4.223 -0.583 1 1 67 . 26 1 1 A 8 8 VAL CA C 7 66.400 58.399 8.001 1 1 68 . 26 1 1 A 8 8 VAL CB C 7 30.800 29.813 0.987 1 1 69 . 26 1 1 A 8 8 VAL N N 7 119.300 120.261 -0.961 1 1 70 . 26 1 1 A 9 9 LEU H H 8 8.230 7.483 0.747 1 1 71 . 26 1 1 A 9 9 LEU HA H 8 3.870 3.949 -0.079 1 1 81 . 26 1 1 A 9 9 LEU CA C 8 58.500 64.989 -6.489 1 1 82 . 26 1 1 A 9 9 LEU CB C 8 41.100 31.558 9.542 1 1 83 . 26 1 1 A 9 9 LEU N N 8 120.600 119.125 1.475 1 1 84 . 26 1 1 A 10 10 GLN H H 9 7.910 7.682 0.228 1 1 85 . 26 1 1 A 10 10 GLN HA H 9 4.090 3.818 0.272 1 1 92 . 26 1 1 A 10 10 GLN CA C 9 58.500 58.179 0.321 1 1 93 . 26 1 1 A 10 10 GLN CB C 9 27.900 41.146 -13.246 1 1 94 . 26 1 1 A 10 10 GLN N N 9 117.200 121.533 -4.333 1 1 96 . 26 1 1 A 11 11 GLU H H 10 8.200 8.036 0.164 1 1 97 . 26 1 1 A 11 11 GLU HA H 10 4.210 4.171 0.039 1 1 102 . 26 1 1 A 11 11 GLU CA C 10 58.700 58.666 0.034 1 1 103 . 26 1 1 A 11 11 GLU CB C 10 29.600 28.648 0.952 1 1 104 . 26 1 1 A 11 11 GLU N N 11 120.200 121.004 -0.804 1 1 105 . 26 1 1 A 12 12 LEU HA H 11 3.910 4.062 -0.152 1 1 115 . 26 1 1 A 12 12 LEU CA C 11 58.900 58.916 -0.016 1 1 116 . 26 1 1 A 12 12 LEU CB C 11 40.900 29.747 11.153 1 1 117 . 26 1 1 A 12 12 LEU N N 11 124.600 121.004 3.596 1 1 118 . 26 1 1 A 13 13 VAL H H 12 8.180 7.888 0.292 1 1 119 . 26 1 1 A 13 13 VAL HA H 12 3.500 4.032 -0.532 1 1 121 . 26 1 1 A 13 13 VAL CA C 12 67.300 58.256 9.044 1 1 122 . 26 1 1 A 13 13 VAL CB C 12 31.500 41.788 -10.288 1 1 123 . 26 1 1 A 13 13 VAL N N 12 120.300 121.598 -1.298 1 1 124 . 26 1 1 A 14 14 LYS H H 13 8.020 8.281 -0.261 1 1 125 . 26 1 1 A 14 14 LYS HA H 13 4.080 3.673 0.407 1 1 132 . 26 1 1 A 14 14 LYS CA C 13 59.200 65.382 -6.182 1 1 133 . 26 1 1 A 14 14 LYS CB C 13 31.500 31.803 -0.303 1 1 134 . 26 1 1 A 14 14 LYS N N 13 118.700 118.953 -0.253 1 1 135 . 26 1 1 A 15 15 HIS H H 14 8.580 7.691 0.889 1 1 136 . 26 1 1 A 15 15 HIS HA H 14 4.120 3.987 0.133 1 1 141 . 26 1 1 A 15 15 HIS CA C 14 61.900 59.447 2.453 1 1 142 . 26 1 1 A 15 15 HIS CB C 14 32.000 32.202 -0.202 1 1 143 . 26 1 1 A 15 15 HIS N N 14 117.800 121.155 -3.355 1 1 144 . 26 1 1 A 16 16 LYS H H 15 8.670 8.000 0.670 1 1 145 . 26 1 1 A 16 16 LYS HA H 15 4.220 4.269 -0.049 1 1 154 . 26 1 1 A 16 16 LYS N N 15 120.300 118.837 1.463 1 1 155 . 26 1 1 A 17 17 GLU H H 16 7.910 8.330 -0.420 1 1 156 . 26 1 1 A 17 17 GLU HA H 16 4.160 3.881 0.279 1 1 159 . 26 1 1 A 17 17 GLU N N 16 120.000 118.773 1.227 1 1 160 . 26 1 1 A 18 18 LEU H H 17 8.370 8.479 -0.109 1 1 161 . 26 1 1 A 18 18 LEU HA H 17 4.670 4.066 0.604 1 1 171 . 26 1 1 A 18 18 LEU CB C 17 37.300 29.219 8.081 1 1 172 . 26 1 1 A 18 18 LEU N N 17 121.200 120.045 1.155 1 1 173 . 26 1 1 A 19 19 LEU H H 18 8.450 8.280 0.170 1 1 174 . 26 1 1 A 19 19 LEU HA H 18 3.880 3.931 -0.051 1 1 184 . 26 1 1 A 19 19 LEU N N 18 119.300 120.095 -0.795 1 1 185 . 26 1 1 A 20 20 ARG H H 19 7.620 8.240 -0.620 1 1 186 . 26 1 1 A 20 20 ARG HA H 19 4.240 3.926 0.314 1 1 193 . 26 1 1 A 20 20 ARG CA C 19 59.300 57.965 1.335 1 1 194 . 26 1 1 A 20 20 ARG CB C 19 29.800 41.312 -11.512 1 1 195 . 26 1 1 A 20 20 ARG N N 19 117.900 118.082 -0.182 1 1 196 . 26 1 1 A 21 21 ARG H H 20 8.000 8.370 -0.370 1 1 197 . 26 1 1 A 21 21 ARG HA H 20 4.120 3.964 0.156 1 1 204 . 26 1 1 A 21 21 ARG CA C 20 59.200 59.786 -0.586 1 1 205 . 26 1 1 A 21 21 ARG CB C 20 29.400 29.986 -0.586 1 1 206 . 26 1 1 A 21 21 ARG N N 20 118.300 119.338 -1.038 1 1 207 . 26 1 1 A 22 22 LYS H H 21 8.600 7.825 0.775 1 1 208 . 26 1 1 A 22 22 LYS HA H 21 4.210 3.947 0.263 1 1 217 . 26 1 1 A 22 22 LYS CA C 21 59.000 58.926 0.074 1 1 218 . 26 1 1 A 22 22 LYS CB C 21 29.400 29.968 -0.568 1 1 219 . 26 1 1 A 22 22 LYS N N 21 120.900 119.808 1.092 1 1 220 . 26 1 1 A 23 23 ASP H H 22 8.560 8.001 0.559 1 1 221 . 26 1 1 A 23 23 ASP HA H 22 4.650 4.059 0.591 1 1 224 . 26 1 1 A 23 23 ASP CA C 22 57.300 59.756 -2.456 1 1 225 . 26 1 1 A 23 23 ASP CB C 22 40.200 32.175 8.025 1 1 226 . 26 1 1 A 23 23 ASP N N 22 119.500 118.951 0.549 1 1 227 . 26 1 1 A 24 24 THR H H 23 8.240 8.234 0.006 1 1 228 . 26 1 1 A 24 24 THR HA H 23 4.380 4.400 -0.020 1 1 233 . 26 1 1 A 24 24 THR CA C 23 66.600 56.509 10.091 1 1 234 . 26 1 1 A 24 24 THR CB C 23 68.400 40.593 27.807 1 1 235 . 26 1 1 A 24 24 THR N N 23 117.800 119.841 -2.041 1 1 236 . 26 1 1 A 25 25 HIS H H 24 7.970 7.875 0.095 1 1 237 . 26 1 1 A 25 25 HIS HA H 24 4.600 3.912 0.688 1 1 241 . 26 1 1 A 25 25 HIS CA C 24 57.000 66.753 -9.753 1 1 242 . 26 1 1 A 25 25 HIS CB C 24 32.000 68.630 -36.630 1 1 243 . 26 1 1 A 25 25 HIS N N 24 122.100 117.492 4.608 1 1 244 . 26 1 1 A 26 26 ILE H H 25 8.760 8.447 0.313 1 1 245 . 26 1 1 A 26 26 ILE HA H 25 4.020 4.066 -0.046 1 1 252 . 26 1 1 A 26 26 ILE CA C 25 61.300 59.712 1.588 1 1 253 . 26 1 1 A 26 26 ILE CB C 25 37.900 29.892 8.008 1 1 254 . 26 1 1 A 26 26 ILE N N 25 119.100 118.872 0.228 1 1 255 . 26 1 1 A 27 27 ARG H H 26 7.820 7.605 0.215 1 1 256 . 26 1 1 A 27 27 ARG HA H 26 4.210 3.705 0.505 1 1 263 . 26 1 1 A 27 27 ARG CA C 26 58.700 64.544 -5.844 1 1 264 . 26 1 1 A 27 27 ARG CB C 26 29.400 37.699 -8.299 1 1 265 . 26 1 1 A 27 27 ARG N N 26 118.300 116.570 1.730 1 1 266 . 26 1 1 A 28 28 GLU H H 27 8.020 8.286 -0.266 1 1 267 . 26 1 1 A 28 28 GLU HA H 27 4.140 4.122 0.018 1 1 272 . 26 1 1 A 28 28 GLU CA C 27 60.500 58.661 1.839 1 1 273 . 26 1 1 A 28 28 GLU N N 27 118.600 121.047 -2.447 1 1 274 . 26 1 1 A 29 29 LEU H H 28 8.370 8.467 -0.097 1 1 275 . 26 1 1 A 29 29 LEU HA H 28 4.250 4.004 0.246 1 1 285 . 26 1 1 A 29 29 LEU N N 28 121.200 117.375 3.825 1 1 286 . 26 1 1 A 30 30 GLU H H 29 8.910 8.606 0.304 1 1 287 . 26 1 1 A 30 30 GLU HA H 29 4.180 4.245 -0.065 1 1 290 . 26 1 1 A 30 30 GLU CA C 29 60.100 56.019 4.081 1 1 291 . 26 1 1 A 30 30 GLU CB C 29 29.200 41.927 -12.727 1 1 292 . 26 1 1 A 30 30 GLU N N 29 119.000 122.028 -3.028 1 1 293 . 26 1 1 A 31 31 ASP H H 30 8.580 7.782 0.798 1 1 294 . 26 1 1 A 31 31 ASP HA H 30 4.420 4.132 0.288 1 1 297 . 26 1 1 A 31 31 ASP CA C 30 57.000 59.311 -2.311 1 1 298 . 26 1 1 A 31 31 ASP N N 30 119.400 119.200 0.200 1 1 299 . 26 1 1 A 32 32 TYR H H 31 8.100 7.795 0.305 1 1 300 . 26 1 1 A 32 32 TYR HA H 31 4.520 4.417 0.103 1 1 307 . 26 1 1 A 32 32 TYR CA C 31 58.200 56.648 1.552 1 1 308 . 26 1 1 A 32 32 TYR N N 31 122.100 120.411 1.689 1 1 309 . 26 1 1 A 33 33 ILE HA H 32 4.070 4.309 -0.239 1 1 316 . 26 1 1 A 33 33 ILE CA C 32 58.200 61.288 -3.088 1 1 317 . 26 1 1 A 34 34 ASP H H 33 8.130 7.720 0.410 1 1 318 . 26 1 1 A 34 34 ASP HA H 33 4.380 3.867 0.513 1 1 321 . 26 1 1 A 34 34 ASP CA C 33 57.300 63.526 -6.226 1 1 322 . 26 1 1 A 34 34 ASP CB C 33 40.600 37.412 3.188 1 1 323 . 26 1 1 A 34 34 ASP N N 33 118.100 120.085 -1.985 1 1 324 . 26 1 1 A 35 35 ASN H H 34 7.790 8.059 -0.269 1 1 325 . 26 1 1 A 35 35 ASN HA H 34 4.520 4.355 0.165 1 1 330 . 26 1 1 A 35 35 ASN CA C 34 55.300 57.498 -2.198 1 1 331 . 26 1 1 A 35 35 ASN CB C 34 39.800 40.789 -0.989 1 1 332 . 26 1 1 A 35 35 ASN N N 34 115.600 121.890 -6.290 1 1 333 . 26 1 1 A 36 36 LEU HA H 35 3.750 4.412 -0.662 1 1 343 . 26 1 1 A 36 36 LEU CA C 35 56.300 56.622 -0.322 1 1 344 . 26 1 1 A 37 37 LEU HA H 36 4.280 4.123 0.157 1 1 354 . 26 1 1 A 37 37 LEU CA C 36 55.800 57.604 -1.804 1 1 355 . 26 1 1 A 37 37 LEU CB C 36 42.300 41.858 0.442 1 1 356 . 26 1 1 A 38 38 VAL H H 37 7.500 7.481 0.019 1 1 357 . 26 1 1 A 38 38 VAL HA H 37 4.070 4.585 -0.515 1 1 365 . 26 1 1 A 38 38 VAL CA C 37 62.800 53.880 8.920 1 1 366 . 26 1 1 A 38 38 VAL CB C 37 33.600 41.625 -8.025 1 1 367 . 26 1 1 A 38 38 VAL N N 37 115.900 113.001 2.899 1 1 368 . 26 1 1 A 39 39 ARG H H 38 7.920 7.984 -0.064 1 1 369 . 26 1 1 A 39 39 ARG HA H 38 4.360 4.546 -0.186 1 1 376 . 26 1 1 A 39 39 ARG CA C 38 60.500 60.023 0.477 1 1 377 . 26 1 1 A 39 39 ARG N N 38 121.300 119.587 1.713 1 1 378 . 26 1 1 A 40 40 VAL H H 39 8.000 8.466 -0.466 1 1 379 . 26 1 1 A 40 40 VAL HA H 39 4.180 4.504 -0.324 1 1 387 . 26 1 1 A 40 40 VAL CA C 39 62.600 56.085 6.515 1 1 388 . 26 1 1 A 40 40 VAL CB C 39 32.600 30.814 1.786 1 1 389 . 26 1 1 A 40 40 VAL N N 39 119.000 124.823 -5.823 1 1 390 . 26 1 1 A 41 41 MET H H 40 7.990 8.442 -0.452 1 1 391 . 26 1 1 A 41 41 MET HA H 40 4.550 4.468 0.082 1 1 399 . 26 1 1 A 41 41 MET CA C 40 56.900 61.274 -4.374 1 1 400 . 26 1 1 A 41 41 MET CB C 40 33.700 32.920 0.780 1 1 6 . 27 1 1 A 3 3 LEU H H 2 8.530 8.632 -0.102 1 1 7 . 27 1 1 A 3 3 LEU HA H 2 4.700 4.492 0.208 1 1 17 . 27 1 1 A 3 3 LEU CA C 2 54.700 59.630 -4.930 1 1 18 . 27 1 1 A 3 3 LEU CB C 2 43.000 64.029 -21.029 1 1 19 . 27 1 1 A 3 3 LEU N N 2 123.300 122.011 1.289 1 1 20 . 27 1 1 A 4 4 THR H H 3 9.520 7.817 1.703 1 1 21 . 27 1 1 A 4 4 THR HA H 3 4.830 4.275 0.555 1 1 26 . 27 1 1 A 4 4 THR CA C 3 61.300 54.759 6.541 1 1 27 . 27 1 1 A 4 4 THR CB C 3 71.100 41.200 29.900 1 1 28 . 27 1 1 A 4 4 THR N N 3 116.200 116.466 -0.266 1 1 29 . 27 1 1 A 5 5 TYR H H 4 9.380 8.435 0.945 1 1 30 . 27 1 1 A 5 5 TYR HA H 4 4.120 4.608 -0.488 1 1 37 . 27 1 1 A 5 5 TYR CA C 4 62.300 60.883 1.417 1 1 38 . 27 1 1 A 5 5 TYR CB C 4 38.600 71.046 -32.446 1 1 39 . 27 1 1 A 5 5 TYR N N 4 121.600 110.059 11.541 1 1 40 . 27 1 1 A 6 6 GLU H H 5 9.000 9.088 -0.088 1 1 41 . 27 1 1 A 6 6 GLU HA H 5 3.900 4.170 -0.270 1 1 46 . 27 1 1 A 6 6 GLU CA C 5 60.500 62.355 -1.855 1 1 47 . 27 1 1 A 6 6 GLU CB C 5 28.700 39.222 -10.522 1 1 48 . 27 1 1 A 6 6 GLU N N 5 115.500 122.137 -6.637 1 1 49 . 27 1 1 A 7 7 GLU H H 6 7.920 8.303 -0.383 1 1 50 . 27 1 1 A 7 7 GLU HA H 6 4.060 4.007 0.053 1 1 55 . 27 1 1 A 7 7 GLU CA C 6 59.200 58.534 0.666 1 1 56 . 27 1 1 A 7 7 GLU CB C 6 30.400 29.056 1.344 1 1 57 . 27 1 1 A 7 7 GLU N N 6 118.900 118.663 0.237 1 1 58 . 27 1 1 A 8 8 VAL H H 7 8.590 8.690 -0.100 1 1 59 . 27 1 1 A 8 8 VAL HA H 7 3.640 4.100 -0.460 1 1 67 . 27 1 1 A 8 8 VAL CA C 7 66.400 58.858 7.542 1 1 68 . 27 1 1 A 8 8 VAL CB C 7 30.800 29.584 1.216 1 1 69 . 27 1 1 A 8 8 VAL N N 7 119.300 120.447 -1.147 1 1 70 . 27 1 1 A 9 9 LEU H H 8 8.230 7.685 0.545 1 1 71 . 27 1 1 A 9 9 LEU HA H 8 3.870 4.087 -0.217 1 1 81 . 27 1 1 A 9 9 LEU CA C 8 58.500 65.070 -6.570 1 1 82 . 27 1 1 A 9 9 LEU CB C 8 41.100 31.308 9.792 1 1 83 . 27 1 1 A 9 9 LEU N N 8 120.600 119.389 1.211 1 1 84 . 27 1 1 A 10 10 GLN H H 9 7.910 7.695 0.215 1 1 85 . 27 1 1 A 10 10 GLN HA H 9 4.090 3.846 0.244 1 1 92 . 27 1 1 A 10 10 GLN CA C 9 58.500 58.183 0.317 1 1 93 . 27 1 1 A 10 10 GLN CB C 9 27.900 41.650 -13.750 1 1 94 . 27 1 1 A 10 10 GLN N N 9 117.200 121.568 -4.368 1 1 96 . 27 1 1 A 11 11 GLU H H 10 8.200 8.194 0.006 1 1 97 . 27 1 1 A 11 11 GLU HA H 10 4.210 4.104 0.106 1 1 102 . 27 1 1 A 11 11 GLU CA C 10 58.700 58.671 0.029 1 1 103 . 27 1 1 A 11 11 GLU CB C 10 29.600 28.366 1.234 1 1 104 . 27 1 1 A 11 11 GLU N N 11 120.200 119.279 0.921 1 1 105 . 27 1 1 A 12 12 LEU HA H 11 3.910 4.103 -0.193 1 1 115 . 27 1 1 A 12 12 LEU CA C 11 58.900 59.356 -0.456 1 1 116 . 27 1 1 A 12 12 LEU CB C 11 40.900 29.166 11.734 1 1 117 . 27 1 1 A 12 12 LEU N N 11 124.600 119.279 5.321 1 1 118 . 27 1 1 A 13 13 VAL H H 12 8.180 7.958 0.222 1 1 119 . 27 1 1 A 13 13 VAL HA H 12 3.500 4.108 -0.608 1 1 121 . 27 1 1 A 13 13 VAL CA C 12 67.300 58.019 9.281 1 1 122 . 27 1 1 A 13 13 VAL CB C 12 31.500 42.133 -10.633 1 1 123 . 27 1 1 A 13 13 VAL N N 12 120.300 120.918 -0.618 1 1 124 . 27 1 1 A 14 14 LYS H H 13 8.020 8.160 -0.140 1 1 125 . 27 1 1 A 14 14 LYS HA H 13 4.080 3.867 0.213 1 1 132 . 27 1 1 A 14 14 LYS CA C 13 59.200 64.565 -5.365 1 1 133 . 27 1 1 A 14 14 LYS CB C 13 31.500 31.506 -0.006 1 1 134 . 27 1 1 A 14 14 LYS N N 13 118.700 118.631 0.069 1 1 135 . 27 1 1 A 15 15 HIS H H 14 8.580 7.545 1.035 1 1 136 . 27 1 1 A 15 15 HIS HA H 14 4.120 4.010 0.110 1 1 141 . 27 1 1 A 15 15 HIS CA C 14 61.900 58.886 3.014 1 1 142 . 27 1 1 A 15 15 HIS CB C 14 32.000 32.188 -0.188 1 1 143 . 27 1 1 A 15 15 HIS N N 14 117.800 121.549 -3.749 1 1 144 . 27 1 1 A 16 16 LYS H H 15 8.670 8.073 0.597 1 1 145 . 27 1 1 A 16 16 LYS HA H 15 4.220 4.292 -0.072 1 1 154 . 27 1 1 A 16 16 LYS N N 15 120.300 118.077 2.223 1 1 155 . 27 1 1 A 17 17 GLU H H 16 7.910 8.202 -0.292 1 1 156 . 27 1 1 A 17 17 GLU HA H 16 4.160 3.896 0.264 1 1 159 . 27 1 1 A 17 17 GLU N N 16 120.000 119.609 0.391 1 1 160 . 27 1 1 A 18 18 LEU H H 17 8.370 7.986 0.384 1 1 161 . 27 1 1 A 18 18 LEU HA H 17 4.670 4.107 0.563 1 1 171 . 27 1 1 A 18 18 LEU CB C 17 37.300 29.333 7.967 1 1 172 . 27 1 1 A 18 18 LEU N N 17 121.200 120.028 1.172 1 1 173 . 27 1 1 A 19 19 LEU H H 18 8.450 8.491 -0.041 1 1 174 . 27 1 1 A 19 19 LEU HA H 18 3.880 4.046 -0.166 1 1 184 . 27 1 1 A 19 19 LEU N N 18 119.300 120.333 -1.033 1 1 185 . 27 1 1 A 20 20 ARG H H 19 7.620 8.095 -0.475 1 1 186 . 27 1 1 A 20 20 ARG HA H 19 4.240 3.928 0.312 1 1 193 . 27 1 1 A 20 20 ARG CA C 19 59.300 57.725 1.575 1 1 194 . 27 1 1 A 20 20 ARG CB C 19 29.800 41.033 -11.233 1 1 195 . 27 1 1 A 20 20 ARG N N 19 117.900 117.864 0.036 1 1 196 . 27 1 1 A 21 21 ARG H H 20 8.000 8.248 -0.248 1 1 197 . 27 1 1 A 21 21 ARG HA H 20 4.120 3.975 0.145 1 1 204 . 27 1 1 A 21 21 ARG CA C 20 59.200 59.829 -0.629 1 1 205 . 27 1 1 A 21 21 ARG CB C 20 29.400 29.973 -0.573 1 1 206 . 27 1 1 A 21 21 ARG N N 20 118.300 119.433 -1.133 1 1 207 . 27 1 1 A 22 22 LYS H H 21 8.600 7.803 0.797 1 1 208 . 27 1 1 A 22 22 LYS HA H 21 4.210 4.049 0.161 1 1 217 . 27 1 1 A 22 22 LYS CA C 21 59.000 59.009 -0.009 1 1 218 . 27 1 1 A 22 22 LYS CB C 21 29.400 30.056 -0.656 1 1 219 . 27 1 1 A 22 22 LYS N N 21 120.900 120.110 0.790 1 1 220 . 27 1 1 A 23 23 ASP H H 22 8.560 7.899 0.661 1 1 221 . 27 1 1 A 23 23 ASP HA H 22 4.650 3.990 0.660 1 1 224 . 27 1 1 A 23 23 ASP CA C 22 57.300 59.870 -2.570 1 1 225 . 27 1 1 A 23 23 ASP CB C 22 40.200 32.406 7.794 1 1 226 . 27 1 1 A 23 23 ASP N N 22 119.500 118.356 1.144 1 1 227 . 27 1 1 A 24 24 THR H H 23 8.240 7.648 0.592 1 1 228 . 27 1 1 A 24 24 THR HA H 23 4.380 4.436 -0.056 1 1 233 . 27 1 1 A 24 24 THR CA C 23 66.600 57.353 9.247 1 1 234 . 27 1 1 A 24 24 THR CB C 23 68.400 41.030 27.370 1 1 235 . 27 1 1 A 24 24 THR N N 23 117.800 119.549 -1.749 1 1 236 . 27 1 1 A 25 25 HIS H H 24 7.970 7.837 0.133 1 1 237 . 27 1 1 A 25 25 HIS HA H 24 4.600 3.976 0.624 1 1 241 . 27 1 1 A 25 25 HIS CA C 24 57.000 66.594 -9.594 1 1 242 . 27 1 1 A 25 25 HIS CB C 24 32.000 68.683 -36.683 1 1 243 . 27 1 1 A 25 25 HIS N N 24 122.100 115.207 6.893 1 1 244 . 27 1 1 A 26 26 ILE H H 25 8.760 8.884 -0.124 1 1 245 . 27 1 1 A 26 26 ILE HA H 25 4.020 4.335 -0.315 1 1 252 . 27 1 1 A 26 26 ILE CA C 25 61.300 60.221 1.079 1 1 253 . 27 1 1 A 26 26 ILE CB C 25 37.900 30.033 7.867 1 1 254 . 27 1 1 A 26 26 ILE N N 25 119.100 121.396 -2.296 1 1 255 . 27 1 1 A 27 27 ARG H H 26 7.820 7.712 0.108 1 1 256 . 27 1 1 A 27 27 ARG HA H 26 4.210 3.776 0.434 1 1 263 . 27 1 1 A 27 27 ARG CA C 26 58.700 64.958 -6.258 1 1 264 . 27 1 1 A 27 27 ARG CB C 26 29.400 37.739 -8.339 1 1 265 . 27 1 1 A 27 27 ARG N N 26 118.300 116.889 1.411 1 1 266 . 27 1 1 A 28 28 GLU H H 27 8.020 8.427 -0.407 1 1 267 . 27 1 1 A 28 28 GLU HA H 27 4.140 3.893 0.247 1 1 272 . 27 1 1 A 28 28 GLU CA C 27 60.500 59.915 0.585 1 1 273 . 27 1 1 A 28 28 GLU N N 27 118.600 122.039 -3.439 1 1 274 . 27 1 1 A 29 29 LEU H H 28 8.370 8.519 -0.149 1 1 275 . 27 1 1 A 29 29 LEU HA H 28 4.250 3.957 0.293 1 1 285 . 27 1 1 A 29 29 LEU N N 28 121.200 117.362 3.838 1 1 286 . 27 1 1 A 30 30 GLU H H 29 8.910 8.090 0.820 1 1 287 . 27 1 1 A 30 30 GLU HA H 29 4.180 4.416 -0.236 1 1 290 . 27 1 1 A 30 30 GLU CA C 29 60.100 57.263 2.837 1 1 291 . 27 1 1 A 30 30 GLU CB C 29 29.200 41.455 -12.255 1 1 292 . 27 1 1 A 30 30 GLU N N 29 119.000 121.889 -2.889 1 1 293 . 27 1 1 A 31 31 ASP H H 30 8.580 8.042 0.538 1 1 294 . 27 1 1 A 31 31 ASP HA H 30 4.420 4.066 0.354 1 1 297 . 27 1 1 A 31 31 ASP CA C 30 57.000 59.616 -2.616 1 1 298 . 27 1 1 A 31 31 ASP N N 30 119.400 118.993 0.407 1 1 299 . 27 1 1 A 32 32 TYR H H 31 8.100 7.694 0.406 1 1 300 . 27 1 1 A 32 32 TYR HA H 31 4.520 4.462 0.058 1 1 307 . 27 1 1 A 32 32 TYR CA C 31 58.200 56.644 1.556 1 1 308 . 27 1 1 A 32 32 TYR N N 31 122.100 119.043 3.057 1 1 309 . 27 1 1 A 33 33 ILE HA H 32 4.070 4.327 -0.257 1 1 316 . 27 1 1 A 33 33 ILE CA C 32 58.200 61.178 -2.978 1 1 317 . 27 1 1 A 34 34 ASP H H 33 8.130 7.618 0.512 1 1 318 . 27 1 1 A 34 34 ASP HA H 33 4.380 3.973 0.407 1 1 321 . 27 1 1 A 34 34 ASP CA C 33 57.300 62.477 -5.177 1 1 322 . 27 1 1 A 34 34 ASP CB C 33 40.600 37.949 2.651 1 1 323 . 27 1 1 A 34 34 ASP N N 33 118.100 119.880 -1.780 1 1 324 . 27 1 1 A 35 35 ASN H H 34 7.790 8.223 -0.433 1 1 325 . 27 1 1 A 35 35 ASN HA H 34 4.520 4.410 0.110 1 1 330 . 27 1 1 A 35 35 ASN CA C 34 55.300 57.532 -2.232 1 1 331 . 27 1 1 A 35 35 ASN CB C 34 39.800 41.019 -1.219 1 1 332 . 27 1 1 A 35 35 ASN N N 34 115.600 122.212 -6.612 1 1 333 . 27 1 1 A 36 36 LEU HA H 35 3.750 4.367 -0.617 1 1 343 . 27 1 1 A 36 36 LEU CA C 35 56.300 56.817 -0.517 1 1 344 . 27 1 1 A 37 37 LEU HA H 36 4.280 4.082 0.198 1 1 354 . 27 1 1 A 37 37 LEU CA C 36 55.800 57.904 -2.104 1 1 355 . 27 1 1 A 37 37 LEU CB C 36 42.300 41.650 0.650 1 1 356 . 27 1 1 A 38 38 VAL H H 37 7.500 7.554 -0.054 1 1 357 . 27 1 1 A 38 38 VAL HA H 37 4.070 4.591 -0.521 1 1 365 . 27 1 1 A 38 38 VAL CA C 37 62.800 53.804 8.996 1 1 366 . 27 1 1 A 38 38 VAL CB C 37 33.600 41.641 -8.041 1 1 367 . 27 1 1 A 38 38 VAL N N 37 115.900 112.295 3.605 1 1 368 . 27 1 1 A 39 39 ARG H H 38 7.920 7.484 0.436 1 1 369 . 27 1 1 A 39 39 ARG HA H 38 4.360 4.579 -0.219 1 1 376 . 27 1 1 A 39 39 ARG CA C 38 60.500 59.940 0.560 1 1 377 . 27 1 1 A 39 39 ARG N N 38 121.300 119.040 2.260 1 1 378 . 27 1 1 A 40 40 VAL H H 39 8.000 8.405 -0.405 1 1 379 . 27 1 1 A 40 40 VAL HA H 39 4.180 4.530 -0.350 1 1 387 . 27 1 1 A 40 40 VAL CA C 39 62.600 56.035 6.565 1 1 388 . 27 1 1 A 40 40 VAL CB C 39 32.600 30.795 1.805 1 1 389 . 27 1 1 A 40 40 VAL N N 39 119.000 124.741 -5.741 1 1 390 . 27 1 1 A 41 41 MET H H 40 7.990 8.701 -0.711 1 1 391 . 27 1 1 A 41 41 MET HA H 40 4.550 4.901 -0.351 1 1 399 . 27 1 1 A 41 41 MET CA C 40 56.900 60.054 -3.154 1 1 400 . 27 1 1 A 41 41 MET CB C 40 33.700 33.736 -0.036 1 1 6 . 28 1 1 A 3 3 LEU H H 2 8.530 8.569 -0.039 1 1 7 . 28 1 1 A 3 3 LEU HA H 2 4.700 4.527 0.173 1 1 17 . 28 1 1 A 3 3 LEU CA C 2 54.700 60.335 -5.635 1 1 18 . 28 1 1 A 3 3 LEU CB C 2 43.000 64.063 -21.063 1 1 19 . 28 1 1 A 3 3 LEU N N 2 123.300 121.790 1.510 1 1 20 . 28 1 1 A 4 4 THR H H 3 9.520 7.862 1.658 1 1 21 . 28 1 1 A 4 4 THR HA H 3 4.830 4.244 0.586 1 1 26 . 28 1 1 A 4 4 THR CA C 3 61.300 54.635 6.665 1 1 27 . 28 1 1 A 4 4 THR CB C 3 71.100 41.205 29.895 1 1 28 . 28 1 1 A 4 4 THR N N 3 116.200 116.254 -0.054 1 1 29 . 28 1 1 A 5 5 TYR H H 4 9.380 8.508 0.872 1 1 30 . 28 1 1 A 5 5 TYR HA H 4 4.120 4.720 -0.600 1 1 37 . 28 1 1 A 5 5 TYR CA C 4 62.300 59.873 2.427 1 1 38 . 28 1 1 A 5 5 TYR CB C 4 38.600 70.832 -32.232 1 1 39 . 28 1 1 A 5 5 TYR N N 4 121.600 110.599 11.001 1 1 40 . 28 1 1 A 6 6 GLU H H 5 9.000 9.082 -0.082 1 1 41 . 28 1 1 A 6 6 GLU HA H 5 3.900 4.144 -0.244 1 1 46 . 28 1 1 A 6 6 GLU CA C 5 60.500 62.320 -1.820 1 1 47 . 28 1 1 A 6 6 GLU CB C 5 28.700 39.221 -10.521 1 1 48 . 28 1 1 A 6 6 GLU N N 5 115.500 121.979 -6.479 1 1 49 . 28 1 1 A 7 7 GLU H H 6 7.920 8.330 -0.410 1 1 50 . 28 1 1 A 7 7 GLU HA H 6 4.060 4.054 0.006 1 1 55 . 28 1 1 A 7 7 GLU CA C 6 59.200 58.593 0.607 1 1 56 . 28 1 1 A 7 7 GLU CB C 6 30.400 29.447 0.953 1 1 57 . 28 1 1 A 7 7 GLU N N 6 118.900 119.910 -1.010 1 1 58 . 28 1 1 A 8 8 VAL H H 7 8.590 8.730 -0.140 1 1 59 . 28 1 1 A 8 8 VAL HA H 7 3.640 4.106 -0.466 1 1 67 . 28 1 1 A 8 8 VAL CA C 7 66.400 58.827 7.573 1 1 68 . 28 1 1 A 8 8 VAL CB C 7 30.800 29.475 1.325 1 1 69 . 28 1 1 A 8 8 VAL N N 7 119.300 119.560 -0.260 1 1 70 . 28 1 1 A 9 9 LEU H H 8 8.230 7.659 0.571 1 1 71 . 28 1 1 A 9 9 LEU HA H 8 3.870 3.829 0.041 1 1 81 . 28 1 1 A 9 9 LEU CA C 8 58.500 64.978 -6.478 1 1 82 . 28 1 1 A 9 9 LEU CB C 8 41.100 31.195 9.905 1 1 83 . 28 1 1 A 9 9 LEU N N 8 120.600 119.403 1.197 1 1 84 . 28 1 1 A 10 10 GLN H H 9 7.910 7.598 0.312 1 1 85 . 28 1 1 A 10 10 GLN HA H 9 4.090 3.798 0.292 1 1 92 . 28 1 1 A 10 10 GLN CA C 9 58.500 58.019 0.481 1 1 93 . 28 1 1 A 10 10 GLN CB C 9 27.900 41.541 -13.641 1 1 94 . 28 1 1 A 10 10 GLN N N 9 117.200 121.146 -3.946 1 1 96 . 28 1 1 A 11 11 GLU H H 10 8.200 7.752 0.448 1 1 97 . 28 1 1 A 11 11 GLU HA H 10 4.210 4.144 0.066 1 1 102 . 28 1 1 A 11 11 GLU CA C 10 58.700 58.690 0.010 1 1 103 . 28 1 1 A 11 11 GLU CB C 10 29.600 28.591 1.009 1 1 104 . 28 1 1 A 11 11 GLU N N 11 120.200 119.513 0.687 1 1 105 . 28 1 1 A 12 12 LEU HA H 11 3.910 4.144 -0.234 1 1 115 . 28 1 1 A 12 12 LEU CA C 11 58.900 59.227 -0.327 1 1 116 . 28 1 1 A 12 12 LEU CB C 11 40.900 28.856 12.044 1 1 117 . 28 1 1 A 12 12 LEU N N 11 124.600 119.513 5.087 1 1 118 . 28 1 1 A 13 13 VAL H H 12 8.180 7.832 0.348 1 1 119 . 28 1 1 A 13 13 VAL HA H 12 3.500 3.964 -0.464 1 1 121 . 28 1 1 A 13 13 VAL CA C 12 67.300 57.978 9.322 1 1 122 . 28 1 1 A 13 13 VAL CB C 12 31.500 41.667 -10.167 1 1 123 . 28 1 1 A 13 13 VAL N N 12 120.300 122.462 -2.162 1 1 124 . 28 1 1 A 14 14 LYS H H 13 8.020 7.829 0.191 1 1 125 . 28 1 1 A 14 14 LYS HA H 13 4.080 3.673 0.407 1 1 132 . 28 1 1 A 14 14 LYS CA C 13 59.200 65.439 -6.239 1 1 133 . 28 1 1 A 14 14 LYS CB C 13 31.500 31.775 -0.275 1 1 134 . 28 1 1 A 14 14 LYS N N 13 118.700 118.544 0.156 1 1 135 . 28 1 1 A 15 15 HIS H H 14 8.580 7.951 0.629 1 1 136 . 28 1 1 A 15 15 HIS HA H 14 4.120 3.988 0.132 1 1 141 . 28 1 1 A 15 15 HIS CA C 14 61.900 59.516 2.384 1 1 142 . 28 1 1 A 15 15 HIS CB C 14 32.000 32.434 -0.434 1 1 143 . 28 1 1 A 15 15 HIS N N 14 117.800 120.949 -3.149 1 1 144 . 28 1 1 A 16 16 LYS H H 15 8.670 7.446 1.224 1 1 145 . 28 1 1 A 16 16 LYS HA H 15 4.220 4.328 -0.108 1 1 154 . 28 1 1 A 16 16 LYS N N 15 120.300 118.899 1.401 1 1 155 . 28 1 1 A 17 17 GLU H H 16 7.910 8.356 -0.446 1 1 156 . 28 1 1 A 17 17 GLU HA H 16 4.160 3.959 0.201 1 1 159 . 28 1 1 A 17 17 GLU N N 16 120.000 119.543 0.457 1 1 160 . 28 1 1 A 18 18 LEU H H 17 8.370 8.253 0.117 1 1 161 . 28 1 1 A 18 18 LEU HA H 17 4.670 4.203 0.467 1 1 171 . 28 1 1 A 18 18 LEU CB C 17 37.300 29.465 7.835 1 1 172 . 28 1 1 A 18 18 LEU N N 17 121.200 119.817 1.383 1 1 173 . 28 1 1 A 19 19 LEU H H 18 8.450 8.511 -0.061 1 1 174 . 28 1 1 A 19 19 LEU HA H 18 3.880 4.014 -0.134 1 1 184 . 28 1 1 A 19 19 LEU N N 18 119.300 120.398 -1.098 1 1 185 . 28 1 1 A 20 20 ARG H H 19 7.620 7.974 -0.354 1 1 186 . 28 1 1 A 20 20 ARG HA H 19 4.240 3.890 0.350 1 1 193 . 28 1 1 A 20 20 ARG CA C 19 59.300 57.649 1.651 1 1 194 . 28 1 1 A 20 20 ARG CB C 19 29.800 40.832 -11.032 1 1 195 . 28 1 1 A 20 20 ARG N N 19 117.900 118.187 -0.287 1 1 196 . 28 1 1 A 21 21 ARG H H 20 8.000 7.861 0.139 1 1 197 . 28 1 1 A 21 21 ARG HA H 20 4.120 3.955 0.165 1 1 204 . 28 1 1 A 21 21 ARG CA C 20 59.200 59.846 -0.646 1 1 205 . 28 1 1 A 21 21 ARG CB C 20 29.400 29.929 -0.529 1 1 206 . 28 1 1 A 21 21 ARG N N 20 118.300 119.507 -1.207 1 1 207 . 28 1 1 A 22 22 LYS H H 21 8.600 7.649 0.951 1 1 208 . 28 1 1 A 22 22 LYS HA H 21 4.210 3.970 0.240 1 1 217 . 28 1 1 A 22 22 LYS CA C 21 59.000 59.511 -0.511 1 1 218 . 28 1 1 A 22 22 LYS CB C 21 29.400 29.927 -0.527 1 1 219 . 28 1 1 A 22 22 LYS N N 21 120.900 118.882 2.018 1 1 220 . 28 1 1 A 23 23 ASP H H 22 8.560 7.646 0.914 1 1 221 . 28 1 1 A 23 23 ASP HA H 22 4.650 3.992 0.658 1 1 224 . 28 1 1 A 23 23 ASP CA C 22 57.300 59.633 -2.333 1 1 225 . 28 1 1 A 23 23 ASP CB C 22 40.200 32.217 7.983 1 1 226 . 28 1 1 A 23 23 ASP N N 22 119.500 118.957 0.543 1 1 227 . 28 1 1 A 24 24 THR H H 23 8.240 7.791 0.449 1 1 228 . 28 1 1 A 24 24 THR HA H 23 4.380 4.515 -0.135 1 1 233 . 28 1 1 A 24 24 THR CA C 23 66.600 56.933 9.667 1 1 234 . 28 1 1 A 24 24 THR CB C 23 68.400 41.174 27.226 1 1 235 . 28 1 1 A 24 24 THR N N 23 117.800 119.564 -1.764 1 1 236 . 28 1 1 A 25 25 HIS H H 24 7.970 7.861 0.109 1 1 237 . 28 1 1 A 25 25 HIS HA H 24 4.600 3.962 0.638 1 1 241 . 28 1 1 A 25 25 HIS CA C 24 57.000 66.549 -9.549 1 1 242 . 28 1 1 A 25 25 HIS CB C 24 32.000 68.734 -36.734 1 1 243 . 28 1 1 A 25 25 HIS N N 24 122.100 115.467 6.633 1 1 244 . 28 1 1 A 26 26 ILE H H 25 8.760 8.475 0.285 1 1 245 . 28 1 1 A 26 26 ILE HA H 25 4.020 4.405 -0.385 1 1 252 . 28 1 1 A 26 26 ILE CA C 25 61.300 60.278 1.022 1 1 253 . 28 1 1 A 26 26 ILE CB C 25 37.900 30.489 7.411 1 1 254 . 28 1 1 A 26 26 ILE N N 25 119.100 121.339 -2.239 1 1 255 . 28 1 1 A 27 27 ARG H H 26 7.820 7.666 0.154 1 1 256 . 28 1 1 A 27 27 ARG HA H 26 4.210 3.835 0.375 1 1 263 . 28 1 1 A 27 27 ARG CA C 26 58.700 64.149 -5.449 1 1 264 . 28 1 1 A 27 27 ARG CB C 26 29.400 37.499 -8.099 1 1 265 . 28 1 1 A 27 27 ARG N N 26 118.300 116.753 1.547 1 1 266 . 28 1 1 A 28 28 GLU H H 27 8.020 8.038 -0.018 1 1 267 . 28 1 1 A 28 28 GLU HA H 27 4.140 4.038 0.102 1 1 272 . 28 1 1 A 28 28 GLU CA C 27 60.500 58.885 1.615 1 1 273 . 28 1 1 A 28 28 GLU N N 27 118.600 121.652 -3.052 1 1 274 . 28 1 1 A 29 29 LEU H H 28 8.370 8.401 -0.031 1 1 275 . 28 1 1 A 29 29 LEU HA H 28 4.250 3.898 0.352 1 1 285 . 28 1 1 A 29 29 LEU N N 28 121.200 117.671 3.529 1 1 286 . 28 1 1 A 30 30 GLU H H 29 8.910 8.353 0.557 1 1 287 . 28 1 1 A 30 30 GLU HA H 29 4.180 4.281 -0.101 1 1 290 . 28 1 1 A 30 30 GLU CA C 29 60.100 57.030 3.070 1 1 291 . 28 1 1 A 30 30 GLU CB C 29 29.200 41.611 -12.411 1 1 292 . 28 1 1 A 30 30 GLU N N 29 119.000 122.233 -3.233 1 1 293 . 28 1 1 A 31 31 ASP H H 30 8.580 8.009 0.571 1 1 294 . 28 1 1 A 31 31 ASP HA H 30 4.420 4.013 0.407 1 1 297 . 28 1 1 A 31 31 ASP CA C 30 57.000 59.431 -2.431 1 1 298 . 28 1 1 A 31 31 ASP N N 30 119.400 119.403 -0.003 1 1 299 . 28 1 1 A 32 32 TYR H H 31 8.100 7.720 0.380 1 1 300 . 28 1 1 A 32 32 TYR HA H 31 4.520 4.348 0.172 1 1 307 . 28 1 1 A 32 32 TYR CA C 31 58.200 56.812 1.388 1 1 308 . 28 1 1 A 32 32 TYR N N 31 122.100 120.178 1.922 1 1 309 . 28 1 1 A 33 33 ILE HA H 32 4.070 4.342 -0.272 1 1 316 . 28 1 1 A 33 33 ILE CA C 32 58.200 60.968 -2.768 1 1 317 . 28 1 1 A 34 34 ASP H H 33 8.130 7.826 0.304 1 1 318 . 28 1 1 A 34 34 ASP HA H 33 4.380 3.754 0.626 1 1 321 . 28 1 1 A 34 34 ASP CA C 33 57.300 64.011 -6.711 1 1 322 . 28 1 1 A 34 34 ASP CB C 33 40.600 37.388 3.212 1 1 323 . 28 1 1 A 34 34 ASP N N 33 118.100 120.144 -2.044 1 1 324 . 28 1 1 A 35 35 ASN H H 34 7.790 8.232 -0.442 1 1 325 . 28 1 1 A 35 35 ASN HA H 34 4.520 4.315 0.205 1 1 330 . 28 1 1 A 35 35 ASN CA C 34 55.300 57.389 -2.089 1 1 331 . 28 1 1 A 35 35 ASN CB C 34 39.800 40.377 -0.577 1 1 332 . 28 1 1 A 35 35 ASN N N 34 115.600 121.176 -5.576 1 1 333 . 28 1 1 A 36 36 LEU HA H 35 3.750 4.381 -0.631 1 1 343 . 28 1 1 A 36 36 LEU CA C 35 56.300 56.714 -0.414 1 1 344 . 28 1 1 A 37 37 LEU HA H 36 4.280 4.091 0.189 1 1 354 . 28 1 1 A 37 37 LEU CA C 36 55.800 57.933 -2.133 1 1 355 . 28 1 1 A 37 37 LEU CB C 36 42.300 41.317 0.983 1 1 356 . 28 1 1 A 38 38 VAL H H 37 7.500 7.788 -0.288 1 1 357 . 28 1 1 A 38 38 VAL HA H 37 4.070 4.588 -0.518 1 1 365 . 28 1 1 A 38 38 VAL CA C 37 62.800 53.807 8.993 1 1 366 . 28 1 1 A 38 38 VAL CB C 37 33.600 41.638 -8.038 1 1 367 . 28 1 1 A 38 38 VAL N N 37 115.900 112.416 3.484 1 1 368 . 28 1 1 A 39 39 ARG H H 38 7.920 7.475 0.445 1 1 369 . 28 1 1 A 39 39 ARG HA H 38 4.360 4.561 -0.201 1 1 376 . 28 1 1 A 39 39 ARG CA C 38 60.500 59.944 0.556 1 1 377 . 28 1 1 A 39 39 ARG N N 38 121.300 118.985 2.315 1 1 378 . 28 1 1 A 40 40 VAL H H 39 8.000 8.396 -0.396 1 1 379 . 28 1 1 A 40 40 VAL HA H 39 4.180 4.482 -0.302 1 1 387 . 28 1 1 A 40 40 VAL CA C 39 62.600 56.263 6.337 1 1 388 . 28 1 1 A 40 40 VAL CB C 39 32.600 30.646 1.954 1 1 389 . 28 1 1 A 40 40 VAL N N 39 119.000 124.627 -5.627 1 1 390 . 28 1 1 A 41 41 MET H H 40 7.990 8.824 -0.834 1 1 391 . 28 1 1 A 41 41 MET HA H 40 4.550 4.930 -0.380 1 1 399 . 28 1 1 A 41 41 MET CA C 40 56.900 60.050 -3.150 1 1 400 . 28 1 1 A 41 41 MET CB C 40 33.700 33.797 -0.097 1 1 6 . 29 1 1 A 3 3 LEU H H 2 8.530 8.623 -0.093 1 1 7 . 29 1 1 A 3 3 LEU HA H 2 4.700 4.465 0.235 1 1 17 . 29 1 1 A 3 3 LEU CA C 2 54.700 60.579 -5.879 1 1 18 . 29 1 1 A 3 3 LEU CB C 2 43.000 63.917 -20.917 1 1 19 . 29 1 1 A 3 3 LEU N N 2 123.300 122.024 1.276 1 1 20 . 29 1 1 A 4 4 THR H H 3 9.520 7.824 1.696 1 1 21 . 29 1 1 A 4 4 THR HA H 3 4.830 4.297 0.533 1 1 26 . 29 1 1 A 4 4 THR CA C 3 61.300 54.731 6.569 1 1 27 . 29 1 1 A 4 4 THR CB C 3 71.100 41.140 29.960 1 1 28 . 29 1 1 A 4 4 THR N N 3 116.200 116.685 -0.485 1 1 29 . 29 1 1 A 5 5 TYR H H 4 9.380 8.443 0.937 1 1 30 . 29 1 1 A 5 5 TYR HA H 4 4.120 4.603 -0.483 1 1 37 . 29 1 1 A 5 5 TYR CA C 4 62.300 60.975 1.325 1 1 38 . 29 1 1 A 5 5 TYR CB C 4 38.600 71.117 -32.517 1 1 39 . 29 1 1 A 5 5 TYR N N 4 121.600 111.310 10.290 1 1 40 . 29 1 1 A 6 6 GLU H H 5 9.000 9.084 -0.084 1 1 41 . 29 1 1 A 6 6 GLU HA H 5 3.900 4.164 -0.264 1 1 46 . 29 1 1 A 6 6 GLU CA C 5 60.500 62.357 -1.857 1 1 47 . 29 1 1 A 6 6 GLU CB C 5 28.700 39.283 -10.583 1 1 48 . 29 1 1 A 6 6 GLU N N 5 115.500 122.131 -6.631 1 1 49 . 29 1 1 A 7 7 GLU H H 6 7.920 8.257 -0.337 1 1 50 . 29 1 1 A 7 7 GLU HA H 6 4.060 3.982 0.078 1 1 55 . 29 1 1 A 7 7 GLU CA C 6 59.200 58.789 0.411 1 1 56 . 29 1 1 A 7 7 GLU CB C 6 30.400 29.536 0.864 1 1 57 . 29 1 1 A 7 7 GLU N N 6 118.900 119.750 -0.850 1 1 58 . 29 1 1 A 8 8 VAL H H 7 8.590 8.460 0.130 1 1 59 . 29 1 1 A 8 8 VAL HA H 7 3.640 4.111 -0.471 1 1 67 . 29 1 1 A 8 8 VAL CA C 7 66.400 58.803 7.597 1 1 68 . 29 1 1 A 8 8 VAL CB C 7 30.800 29.615 1.185 1 1 69 . 29 1 1 A 8 8 VAL N N 7 119.300 119.520 -0.220 1 1 70 . 29 1 1 A 9 9 LEU H H 8 8.230 7.759 0.471 1 1 71 . 29 1 1 A 9 9 LEU HA H 8 3.870 3.861 0.009 1 1 81 . 29 1 1 A 9 9 LEU CA C 8 58.500 65.020 -6.520 1 1 82 . 29 1 1 A 9 9 LEU CB C 8 41.100 31.272 9.828 1 1 83 . 29 1 1 A 9 9 LEU N N 8 120.600 119.094 1.506 1 1 84 . 29 1 1 A 10 10 GLN H H 9 7.910 7.689 0.221 1 1 85 . 29 1 1 A 10 10 GLN HA H 9 4.090 3.805 0.285 1 1 92 . 29 1 1 A 10 10 GLN CA C 9 58.500 58.153 0.347 1 1 93 . 29 1 1 A 10 10 GLN CB C 9 27.900 41.342 -13.442 1 1 94 . 29 1 1 A 10 10 GLN N N 9 117.200 121.955 -4.755 1 1 96 . 29 1 1 A 11 11 GLU H H 10 8.200 7.610 0.590 1 1 97 . 29 1 1 A 11 11 GLU HA H 10 4.210 4.151 0.059 1 1 102 . 29 1 1 A 11 11 GLU CA C 10 58.700 58.771 -0.071 1 1 103 . 29 1 1 A 11 11 GLU CB C 10 29.600 28.669 0.931 1 1 104 . 29 1 1 A 11 11 GLU N N 11 120.200 120.829 -0.629 1 1 105 . 29 1 1 A 12 12 LEU HA H 11 3.910 4.177 -0.267 1 1 115 . 29 1 1 A 12 12 LEU CA C 11 58.900 58.931 -0.031 1 1 116 . 29 1 1 A 12 12 LEU CB C 11 40.900 29.480 11.420 1 1 117 . 29 1 1 A 12 12 LEU N N 11 124.600 120.829 3.771 1 1 118 . 29 1 1 A 13 13 VAL H H 12 8.180 7.526 0.654 1 1 119 . 29 1 1 A 13 13 VAL HA H 12 3.500 4.133 -0.633 1 1 121 . 29 1 1 A 13 13 VAL CA C 12 67.300 58.062 9.238 1 1 122 . 29 1 1 A 13 13 VAL CB C 12 31.500 41.437 -9.937 1 1 123 . 29 1 1 A 13 13 VAL N N 12 120.300 122.182 -1.882 1 1 124 . 29 1 1 A 14 14 LYS H H 13 8.020 8.067 -0.047 1 1 125 . 29 1 1 A 14 14 LYS HA H 13 4.080 3.876 0.204 1 1 132 . 29 1 1 A 14 14 LYS CA C 13 59.200 64.912 -5.712 1 1 133 . 29 1 1 A 14 14 LYS CB C 13 31.500 31.661 -0.161 1 1 134 . 29 1 1 A 14 14 LYS N N 13 118.700 117.974 0.726 1 1 135 . 29 1 1 A 15 15 HIS H H 14 8.580 7.944 0.636 1 1 136 . 29 1 1 A 15 15 HIS HA H 14 4.120 4.318 -0.198 1 1 141 . 29 1 1 A 15 15 HIS CA C 14 61.900 58.873 3.027 1 1 142 . 29 1 1 A 15 15 HIS CB C 14 32.000 32.396 -0.396 1 1 143 . 29 1 1 A 15 15 HIS N N 14 117.800 122.580 -4.780 1 1 144 . 29 1 1 A 16 16 LYS H H 15 8.670 8.290 0.380 1 1 145 . 29 1 1 A 16 16 LYS HA H 15 4.220 4.311 -0.091 1 1 154 . 29 1 1 A 16 16 LYS N N 15 120.300 118.273 2.027 1 1 155 . 29 1 1 A 17 17 GLU H H 16 7.910 8.191 -0.281 1 1 156 . 29 1 1 A 17 17 GLU HA H 16 4.160 3.915 0.245 1 1 159 . 29 1 1 A 17 17 GLU N N 16 120.000 119.895 0.105 1 1 160 . 29 1 1 A 18 18 LEU H H 17 8.370 7.848 0.522 1 1 161 . 29 1 1 A 18 18 LEU HA H 17 4.670 4.092 0.578 1 1 171 . 29 1 1 A 18 18 LEU CB C 17 37.300 28.691 8.609 1 1 172 . 29 1 1 A 18 18 LEU N N 17 121.200 118.573 2.627 1 1 173 . 29 1 1 A 19 19 LEU H H 18 8.450 8.328 0.122 1 1 174 . 29 1 1 A 19 19 LEU HA H 18 3.880 4.011 -0.131 1 1 184 . 29 1 1 A 19 19 LEU N N 18 119.300 121.285 -1.985 1 1 185 . 29 1 1 A 20 20 ARG H H 19 7.620 7.964 -0.344 1 1 186 . 29 1 1 A 20 20 ARG HA H 19 4.240 3.918 0.322 1 1 193 . 29 1 1 A 20 20 ARG CA C 19 59.300 57.645 1.655 1 1 194 . 29 1 1 A 20 20 ARG CB C 19 29.800 40.861 -11.061 1 1 195 . 29 1 1 A 20 20 ARG N N 19 117.900 118.153 -0.253 1 1 196 . 29 1 1 A 21 21 ARG H H 20 8.000 7.896 0.104 1 1 197 . 29 1 1 A 21 21 ARG HA H 20 4.120 3.945 0.175 1 1 204 . 29 1 1 A 21 21 ARG CA C 20 59.200 59.954 -0.754 1 1 205 . 29 1 1 A 21 21 ARG CB C 20 29.400 29.979 -0.579 1 1 206 . 29 1 1 A 21 21 ARG N N 20 118.300 119.645 -1.345 1 1 207 . 29 1 1 A 22 22 LYS H H 21 8.600 7.859 0.741 1 1 208 . 29 1 1 A 22 22 LYS HA H 21 4.210 4.000 0.210 1 1 217 . 29 1 1 A 22 22 LYS CA C 21 59.000 59.285 -0.285 1 1 218 . 29 1 1 A 22 22 LYS CB C 21 29.400 30.059 -0.659 1 1 219 . 29 1 1 A 22 22 LYS N N 21 120.900 118.231 2.669 1 1 220 . 29 1 1 A 23 23 ASP H H 22 8.560 7.745 0.815 1 1 221 . 29 1 1 A 23 23 ASP HA H 22 4.650 4.042 0.608 1 1 224 . 29 1 1 A 23 23 ASP CA C 22 57.300 58.800 -1.500 1 1 225 . 29 1 1 A 23 23 ASP CB C 22 40.200 32.304 7.896 1 1 226 . 29 1 1 A 23 23 ASP N N 22 119.500 118.456 1.044 1 1 227 . 29 1 1 A 24 24 THR H H 23 8.240 8.019 0.221 1 1 228 . 29 1 1 A 24 24 THR HA H 23 4.380 4.618 -0.238 1 1 233 . 29 1 1 A 24 24 THR CA C 23 66.600 56.298 10.302 1 1 234 . 29 1 1 A 24 24 THR CB C 23 68.400 41.558 26.842 1 1 235 . 29 1 1 A 24 24 THR N N 23 117.800 119.628 -1.828 1 1 236 . 29 1 1 A 25 25 HIS H H 24 7.970 7.994 -0.024 1 1 237 . 29 1 1 A 25 25 HIS HA H 24 4.600 3.994 0.606 1 1 241 . 29 1 1 A 25 25 HIS CA C 24 57.000 66.591 -9.591 1 1 242 . 29 1 1 A 25 25 HIS CB C 24 32.000 68.731 -36.731 1 1 243 . 29 1 1 A 25 25 HIS N N 24 122.100 115.139 6.961 1 1 244 . 29 1 1 A 26 26 ILE H H 25 8.760 8.628 0.132 1 1 245 . 29 1 1 A 26 26 ILE HA H 25 4.020 4.371 -0.351 1 1 252 . 29 1 1 A 26 26 ILE CA C 25 61.300 60.340 0.960 1 1 253 . 29 1 1 A 26 26 ILE CB C 25 37.900 30.424 7.476 1 1 254 . 29 1 1 A 26 26 ILE N N 25 119.100 121.472 -2.372 1 1 255 . 29 1 1 A 27 27 ARG H H 26 7.820 8.039 -0.219 1 1 256 . 29 1 1 A 27 27 ARG HA H 26 4.210 3.848 0.362 1 1 263 . 29 1 1 A 27 27 ARG CA C 26 58.700 64.151 -5.451 1 1 264 . 29 1 1 A 27 27 ARG CB C 26 29.400 37.482 -8.082 1 1 265 . 29 1 1 A 27 27 ARG N N 26 118.300 116.756 1.544 1 1 266 . 29 1 1 A 28 28 GLU H H 27 8.020 7.868 0.152 1 1 267 . 29 1 1 A 28 28 GLU HA H 27 4.140 4.083 0.057 1 1 272 . 29 1 1 A 28 28 GLU CA C 27 60.500 58.928 1.572 1 1 273 . 29 1 1 A 28 28 GLU N N 27 118.600 121.691 -3.091 1 1 274 . 29 1 1 A 29 29 LEU H H 28 8.370 8.539 -0.169 1 1 275 . 29 1 1 A 29 29 LEU HA H 28 4.250 4.127 0.123 1 1 285 . 29 1 1 A 29 29 LEU N N 28 121.200 117.788 3.412 1 1 286 . 29 1 1 A 30 30 GLU H H 29 8.910 8.355 0.555 1 1 287 . 29 1 1 A 30 30 GLU HA H 29 4.180 4.227 -0.047 1 1 290 . 29 1 1 A 30 30 GLU CA C 29 60.100 57.455 2.645 1 1 291 . 29 1 1 A 30 30 GLU CB C 29 29.200 41.128 -11.928 1 1 292 . 29 1 1 A 30 30 GLU N N 29 119.000 121.698 -2.698 1 1 293 . 29 1 1 A 31 31 ASP H H 30 8.580 8.244 0.336 1 1 294 . 29 1 1 A 31 31 ASP HA H 30 4.420 4.055 0.365 1 1 297 . 29 1 1 A 31 31 ASP CA C 30 57.000 59.606 -2.606 1 1 298 . 29 1 1 A 31 31 ASP N N 30 119.400 119.210 0.190 1 1 299 . 29 1 1 A 32 32 TYR H H 31 8.100 7.883 0.217 1 1 300 . 29 1 1 A 32 32 TYR HA H 31 4.520 4.414 0.106 1 1 307 . 29 1 1 A 32 32 TYR CA C 31 58.200 56.983 1.217 1 1 308 . 29 1 1 A 32 32 TYR N N 31 122.100 118.932 3.168 1 1 309 . 29 1 1 A 33 33 ILE HA H 32 4.070 4.154 -0.084 1 1 316 . 29 1 1 A 33 33 ILE CA C 32 58.200 61.346 -3.146 1 1 317 . 29 1 1 A 34 34 ASP H H 33 8.130 7.936 0.194 1 1 318 . 29 1 1 A 34 34 ASP HA H 33 4.380 4.027 0.353 1 1 321 . 29 1 1 A 34 34 ASP CA C 33 57.300 62.420 -5.120 1 1 322 . 29 1 1 A 34 34 ASP CB C 33 40.600 37.597 3.003 1 1 323 . 29 1 1 A 34 34 ASP N N 33 118.100 119.390 -1.290 1 1 324 . 29 1 1 A 35 35 ASN H H 34 7.790 8.184 -0.394 1 1 325 . 29 1 1 A 35 35 ASN HA H 34 4.520 4.489 0.031 1 1 330 . 29 1 1 A 35 35 ASN CA C 34 55.300 57.082 -1.782 1 1 331 . 29 1 1 A 35 35 ASN CB C 34 39.800 40.287 -0.487 1 1 332 . 29 1 1 A 35 35 ASN N N 34 115.600 121.842 -6.242 1 1 333 . 29 1 1 A 36 36 LEU HA H 35 3.750 4.348 -0.598 1 1 343 . 29 1 1 A 36 36 LEU CA C 35 56.300 56.742 -0.442 1 1 344 . 29 1 1 A 37 37 LEU HA H 36 4.280 4.070 0.210 1 1 354 . 29 1 1 A 37 37 LEU CA C 36 55.800 57.894 -2.094 1 1 355 . 29 1 1 A 37 37 LEU CB C 36 42.300 41.762 0.538 1 1 356 . 29 1 1 A 38 38 VAL H H 37 7.500 7.564 -0.064 1 1 357 . 29 1 1 A 38 38 VAL HA H 37 4.070 4.580 -0.510 1 1 365 . 29 1 1 A 38 38 VAL CA C 37 62.800 53.795 9.005 1 1 366 . 29 1 1 A 38 38 VAL CB C 37 33.600 41.609 -8.009 1 1 367 . 29 1 1 A 38 38 VAL N N 37 115.900 112.297 3.603 1 1 368 . 29 1 1 A 39 39 ARG H H 38 7.920 7.531 0.389 1 1 369 . 29 1 1 A 39 39 ARG HA H 38 4.360 4.640 -0.280 1 1 376 . 29 1 1 A 39 39 ARG CA C 38 60.500 59.904 0.596 1 1 377 . 29 1 1 A 39 39 ARG N N 38 121.300 120.211 1.089 1 1 378 . 29 1 1 A 40 40 VAL H H 39 8.000 8.398 -0.398 1 1 379 . 29 1 1 A 40 40 VAL HA H 39 4.180 4.431 -0.251 1 1 387 . 29 1 1 A 40 40 VAL CA C 39 62.600 56.558 6.042 1 1 388 . 29 1 1 A 40 40 VAL CB C 39 32.600 30.616 1.984 1 1 389 . 29 1 1 A 40 40 VAL N N 39 119.000 125.145 -6.145 1 1 390 . 29 1 1 A 41 41 MET H H 40 7.990 8.675 -0.685 1 1 391 . 29 1 1 A 41 41 MET HA H 40 4.550 4.873 -0.323 1 1 399 . 29 1 1 A 41 41 MET CA C 40 56.900 60.182 -3.282 1 1 400 . 29 1 1 A 41 41 MET CB C 40 33.700 33.546 0.154 1 1 6 . 30 1 1 A 3 3 LEU H H 2 8.530 8.658 -0.128 1 1 7 . 30 1 1 A 3 3 LEU HA H 2 4.700 4.512 0.188 1 1 17 . 30 1 1 A 3 3 LEU CA C 2 54.700 59.483 -4.783 1 1 18 . 30 1 1 A 3 3 LEU CB C 2 43.000 64.138 -21.138 1 1 19 . 30 1 1 A 3 3 LEU N N 2 123.300 122.024 1.276 1 1 20 . 30 1 1 A 4 4 THR H H 3 9.520 7.985 1.535 1 1 21 . 30 1 1 A 4 4 THR HA H 3 4.830 4.411 0.419 1 1 26 . 30 1 1 A 4 4 THR CA C 3 61.300 54.525 6.775 1 1 27 . 30 1 1 A 4 4 THR CB C 3 71.100 40.513 30.587 1 1 28 . 30 1 1 A 4 4 THR N N 3 116.200 118.876 -2.676 1 1 29 . 30 1 1 A 5 5 TYR H H 4 9.380 8.335 1.045 1 1 30 . 30 1 1 A 5 5 TYR HA H 4 4.120 4.603 -0.483 1 1 37 . 30 1 1 A 5 5 TYR CA C 4 62.300 60.877 1.423 1 1 38 . 30 1 1 A 5 5 TYR CB C 4 38.600 71.047 -32.447 1 1 39 . 30 1 1 A 5 5 TYR N N 4 121.600 111.907 9.693 1 1 40 . 30 1 1 A 6 6 GLU H H 5 9.000 9.079 -0.079 1 1 41 . 30 1 1 A 6 6 GLU HA H 5 3.900 4.164 -0.264 1 1 46 . 30 1 1 A 6 6 GLU CA C 5 60.500 62.387 -1.887 1 1 47 . 30 1 1 A 6 6 GLU CB C 5 28.700 39.363 -10.663 1 1 48 . 30 1 1 A 6 6 GLU N N 5 115.500 122.132 -6.632 1 1 49 . 30 1 1 A 7 7 GLU H H 6 7.920 8.360 -0.440 1 1 50 . 30 1 1 A 7 7 GLU HA H 6 4.060 4.105 -0.045 1 1 55 . 30 1 1 A 7 7 GLU CA C 6 59.200 58.543 0.657 1 1 56 . 30 1 1 A 7 7 GLU CB C 6 30.400 29.107 1.293 1 1 57 . 30 1 1 A 7 7 GLU N N 6 118.900 118.819 0.081 1 1 58 . 30 1 1 A 8 8 VAL H H 7 8.590 8.494 0.096 1 1 59 . 30 1 1 A 8 8 VAL HA H 7 3.640 4.114 -0.474 1 1 67 . 30 1 1 A 8 8 VAL CA C 7 66.400 58.715 7.685 1 1 68 . 30 1 1 A 8 8 VAL CB C 7 30.800 29.551 1.249 1 1 69 . 30 1 1 A 8 8 VAL N N 7 119.300 120.458 -1.158 1 1 70 . 30 1 1 A 9 9 LEU H H 8 8.230 7.574 0.656 1 1 71 . 30 1 1 A 9 9 LEU HA H 8 3.870 4.048 -0.178 1 1 81 . 30 1 1 A 9 9 LEU CA C 8 58.500 64.834 -6.334 1 1 82 . 30 1 1 A 9 9 LEU CB C 8 41.100 31.451 9.649 1 1 83 . 30 1 1 A 9 9 LEU N N 8 120.600 119.145 1.455 1 1 84 . 30 1 1 A 10 10 GLN H H 9 7.910 7.831 0.079 1 1 85 . 30 1 1 A 10 10 GLN HA H 9 4.090 3.750 0.340 1 1 92 . 30 1 1 A 10 10 GLN CA C 9 58.500 58.012 0.488 1 1 93 . 30 1 1 A 10 10 GLN CB C 9 27.900 41.368 -13.468 1 1 94 . 30 1 1 A 10 10 GLN N N 9 117.200 121.174 -3.974 1 1 96 . 30 1 1 A 11 11 GLU H H 10 8.200 7.595 0.605 1 1 97 . 30 1 1 A 11 11 GLU HA H 10 4.210 4.140 0.070 1 1 102 . 30 1 1 A 11 11 GLU CA C 10 58.700 58.810 -0.110 1 1 103 . 30 1 1 A 11 11 GLU CB C 10 29.600 28.539 1.061 1 1 104 . 30 1 1 A 11 11 GLU N N 11 120.200 120.564 -0.364 1 1 105 . 30 1 1 A 12 12 LEU HA H 11 3.910 4.141 -0.231 1 1 115 . 30 1 1 A 12 12 LEU CA C 11 58.900 58.871 0.029 1 1 116 . 30 1 1 A 12 12 LEU CB C 11 40.900 29.601 11.299 1 1 117 . 30 1 1 A 12 12 LEU N N 11 124.600 120.564 4.036 1 1 118 . 30 1 1 A 13 13 VAL H H 12 8.180 7.606 0.574 1 1 119 . 30 1 1 A 13 13 VAL HA H 12 3.500 3.967 -0.467 1 1 121 . 30 1 1 A 13 13 VAL CA C 12 67.300 58.021 9.279 1 1 122 . 30 1 1 A 13 13 VAL CB C 12 31.500 41.495 -9.995 1 1 123 . 30 1 1 A 13 13 VAL N N 12 120.300 122.154 -1.854 1 1 124 . 30 1 1 A 14 14 LYS H H 13 8.020 7.535 0.485 1 1 125 . 30 1 1 A 14 14 LYS HA H 13 4.080 3.885 0.195 1 1 132 . 30 1 1 A 14 14 LYS CA C 13 59.200 64.726 -5.526 1 1 133 . 30 1 1 A 14 14 LYS CB C 13 31.500 31.600 -0.100 1 1 134 . 30 1 1 A 14 14 LYS N N 13 118.700 118.100 0.600 1 1 135 . 30 1 1 A 15 15 HIS H H 14 8.580 7.977 0.603 1 1 136 . 30 1 1 A 15 15 HIS HA H 14 4.120 4.180 -0.060 1 1 141 . 30 1 1 A 15 15 HIS CA C 14 61.900 58.635 3.265 1 1 142 . 30 1 1 A 15 15 HIS CB C 14 32.000 32.866 -0.866 1 1 143 . 30 1 1 A 15 15 HIS N N 14 117.800 122.005 -4.205 1 1 144 . 30 1 1 A 16 16 LYS H H 15 8.670 8.069 0.601 1 1 145 . 30 1 1 A 16 16 LYS HA H 15 4.220 4.197 0.023 1 1 154 . 30 1 1 A 16 16 LYS N N 15 120.300 118.440 1.860 1 1 155 . 30 1 1 A 17 17 GLU H H 16 7.910 8.017 -0.107 1 1 156 . 30 1 1 A 17 17 GLU HA H 16 4.160 3.870 0.290 1 1 159 . 30 1 1 A 17 17 GLU N N 16 120.000 118.902 1.098 1 1 160 . 30 1 1 A 18 18 LEU H H 17 8.370 8.207 0.163 1 1 161 . 30 1 1 A 18 18 LEU HA H 17 4.670 4.225 0.445 1 1 171 . 30 1 1 A 18 18 LEU CB C 17 37.300 29.599 7.701 1 1 172 . 30 1 1 A 18 18 LEU N N 17 121.200 119.843 1.357 1 1 173 . 30 1 1 A 19 19 LEU H H 18 8.450 8.212 0.238 1 1 174 . 30 1 1 A 19 19 LEU HA H 18 3.880 4.030 -0.150 1 1 184 . 30 1 1 A 19 19 LEU N N 18 119.300 120.162 -0.862 1 1 185 . 30 1 1 A 20 20 ARG H H 19 7.620 8.601 -0.981 1 1 186 . 30 1 1 A 20 20 ARG HA H 19 4.240 4.042 0.198 1 1 193 . 30 1 1 A 20 20 ARG CA C 19 59.300 58.087 1.213 1 1 194 . 30 1 1 A 20 20 ARG CB C 19 29.800 41.195 -11.395 1 1 195 . 30 1 1 A 20 20 ARG N N 19 117.900 119.360 -1.460 1 1 196 . 30 1 1 A 21 21 ARG H H 20 8.000 8.162 -0.162 1 1 197 . 30 1 1 A 21 21 ARG HA H 20 4.120 3.988 0.132 1 1 204 . 30 1 1 A 21 21 ARG CA C 20 59.200 59.852 -0.652 1 1 205 . 30 1 1 A 21 21 ARG CB C 20 29.400 29.889 -0.489 1 1 206 . 30 1 1 A 21 21 ARG N N 20 118.300 119.959 -1.659 1 1 207 . 30 1 1 A 22 22 LYS H H 21 8.600 7.870 0.730 1 1 208 . 30 1 1 A 22 22 LYS HA H 21 4.210 4.047 0.163 1 1 217 . 30 1 1 A 22 22 LYS CA C 21 59.000 59.145 -0.145 1 1 218 . 30 1 1 A 22 22 LYS CB C 21 29.400 30.006 -0.606 1 1 219 . 30 1 1 A 22 22 LYS N N 21 120.900 119.502 1.398 1 1 220 . 30 1 1 A 23 23 ASP H H 22 8.560 7.668 0.892 1 1 221 . 30 1 1 A 23 23 ASP HA H 22 4.650 3.996 0.654 1 1 224 . 30 1 1 A 23 23 ASP CA C 22 57.300 59.695 -2.395 1 1 225 . 30 1 1 A 23 23 ASP CB C 22 40.200 32.192 8.008 1 1 226 . 30 1 1 A 23 23 ASP N N 22 119.500 119.033 0.467 1 1 227 . 30 1 1 A 24 24 THR H H 23 8.240 7.973 0.267 1 1 228 . 30 1 1 A 24 24 THR HA H 23 4.380 4.446 -0.066 1 1 233 . 30 1 1 A 24 24 THR CA C 23 66.600 57.175 9.425 1 1 234 . 30 1 1 A 24 24 THR CB C 23 68.400 40.982 27.418 1 1 235 . 30 1 1 A 24 24 THR N N 23 117.800 119.927 -2.127 1 1 236 . 30 1 1 A 25 25 HIS H H 24 7.970 7.859 0.111 1 1 237 . 30 1 1 A 25 25 HIS HA H 24 4.600 3.949 0.651 1 1 241 . 30 1 1 A 25 25 HIS CA C 24 57.000 66.468 -9.468 1 1 242 . 30 1 1 A 25 25 HIS CB C 24 32.000 68.776 -36.776 1 1 243 . 30 1 1 A 25 25 HIS N N 24 122.100 114.928 7.172 1 1 244 . 30 1 1 A 26 26 ILE H H 25 8.760 8.428 0.332 1 1 245 . 30 1 1 A 26 26 ILE HA H 25 4.020 4.412 -0.392 1 1 252 . 30 1 1 A 26 26 ILE CA C 25 61.300 60.309 0.991 1 1 253 . 30 1 1 A 26 26 ILE CB C 25 37.900 30.611 7.289 1 1 254 . 30 1 1 A 26 26 ILE N N 25 119.100 121.639 -2.539 1 1 255 . 30 1 1 A 27 27 ARG H H 26 7.820 7.734 0.086 1 1 256 . 30 1 1 A 27 27 ARG HA H 26 4.210 3.883 0.327 1 1 263 . 30 1 1 A 27 27 ARG CA C 26 58.700 64.282 -5.582 1 1 264 . 30 1 1 A 27 27 ARG CB C 26 29.400 37.515 -8.115 1 1 265 . 30 1 1 A 27 27 ARG N N 26 118.300 116.973 1.327 1 1 266 . 30 1 1 A 28 28 GLU H H 27 8.020 7.964 0.056 1 1 267 . 30 1 1 A 28 28 GLU HA H 27 4.140 4.066 0.074 1 1 272 . 30 1 1 A 28 28 GLU CA C 27 60.500 58.834 1.666 1 1 273 . 30 1 1 A 28 28 GLU N N 27 118.600 121.645 -3.045 1 1 274 . 30 1 1 A 29 29 LEU H H 28 8.370 8.387 -0.017 1 1 275 . 30 1 1 A 29 29 LEU HA H 28 4.250 4.036 0.214 1 1 285 . 30 1 1 A 29 29 LEU N N 28 121.200 117.481 3.719 1 1 286 . 30 1 1 A 30 30 GLU H H 29 8.910 8.344 0.566 1 1 287 . 30 1 1 A 30 30 GLU HA H 29 4.180 4.310 -0.130 1 1 290 . 30 1 1 A 30 30 GLU CA C 29 60.100 56.972 3.128 1 1 291 . 30 1 1 A 30 30 GLU CB C 29 29.200 41.422 -12.222 1 1 292 . 30 1 1 A 30 30 GLU N N 29 119.000 120.709 -1.709 1 1 293 . 30 1 1 A 31 31 ASP H H 30 8.580 8.157 0.423 1 1 294 . 30 1 1 A 31 31 ASP HA H 30 4.420 4.078 0.342 1 1 297 . 30 1 1 A 31 31 ASP CA C 30 57.000 59.591 -2.591 1 1 298 . 30 1 1 A 31 31 ASP N N 30 119.400 119.368 0.032 1 1 299 . 30 1 1 A 32 32 TYR H H 31 8.100 7.772 0.328 1 1 300 . 30 1 1 A 32 32 TYR HA H 31 4.520 4.389 0.131 1 1 307 . 30 1 1 A 32 32 TYR CA C 31 58.200 56.859 1.341 1 1 308 . 30 1 1 A 32 32 TYR N N 31 122.100 118.962 3.138 1 1 309 . 30 1 1 A 33 33 ILE HA H 32 4.070 4.290 -0.220 1 1 316 . 30 1 1 A 33 33 ILE CA C 32 58.200 61.049 -2.849 1 1 317 . 30 1 1 A 34 34 ASP H H 33 8.130 8.028 0.102 1 1 318 . 30 1 1 A 34 34 ASP HA H 33 4.380 3.945 0.435 1 1 321 . 30 1 1 A 34 34 ASP CA C 33 57.300 62.658 -5.358 1 1 322 . 30 1 1 A 34 34 ASP CB C 33 40.600 37.797 2.803 1 1 323 . 30 1 1 A 34 34 ASP N N 33 118.100 119.715 -1.615 1 1 324 . 30 1 1 A 35 35 ASN H H 34 7.790 8.051 -0.261 1 1 325 . 30 1 1 A 35 35 ASN HA H 34 4.520 4.433 0.087 1 1 330 . 30 1 1 A 35 35 ASN CA C 34 55.300 57.143 -1.843 1 1 331 . 30 1 1 A 35 35 ASN CB C 34 39.800 40.070 -0.270 1 1 332 . 30 1 1 A 35 35 ASN N N 34 115.600 121.988 -6.388 1 1 333 . 30 1 1 A 36 36 LEU HA H 35 3.750 4.481 -0.731 1 1 343 . 30 1 1 A 36 36 LEU CA C 35 56.300 56.776 -0.476 1 1 344 . 30 1 1 A 37 37 LEU HA H 36 4.280 4.144 0.136 1 1 354 . 30 1 1 A 37 37 LEU CA C 36 55.800 57.267 -1.467 1 1 355 . 30 1 1 A 37 37 LEU CB C 36 42.300 42.279 0.021 1 1 356 . 30 1 1 A 38 38 VAL H H 37 7.500 7.453 0.047 1 1 357 . 30 1 1 A 38 38 VAL HA H 37 4.070 4.593 -0.523 1 1 365 . 30 1 1 A 38 38 VAL CA C 37 62.800 53.854 8.946 1 1 366 . 30 1 1 A 38 38 VAL CB C 37 33.600 41.640 -8.040 1 1 367 . 30 1 1 A 38 38 VAL N N 37 115.900 112.288 3.612 1 1 368 . 30 1 1 A 39 39 ARG H H 38 7.920 7.925 -0.005 1 1 369 . 30 1 1 A 39 39 ARG HA H 38 4.360 4.423 -0.063 1 1 376 . 30 1 1 A 39 39 ARG CA C 38 60.500 60.166 0.334 1 1 377 . 30 1 1 A 39 39 ARG N N 38 121.300 119.039 2.261 1 1 378 . 30 1 1 A 40 40 VAL H H 39 8.000 8.434 -0.434 1 1 379 . 30 1 1 A 40 40 VAL HA H 39 4.180 4.495 -0.315 1 1 387 . 30 1 1 A 40 40 VAL CA C 39 62.600 56.105 6.495 1 1 388 . 30 1 1 A 40 40 VAL CB C 39 32.600 30.768 1.832 1 1 389 . 30 1 1 A 40 40 VAL N N 39 119.000 124.788 -5.788 1 1 390 . 30 1 1 A 41 41 MET H H 40 7.990 8.430 -0.440 1 1 391 . 30 1 1 A 41 41 MET HA H 40 4.550 4.526 0.024 1 1 399 . 30 1 1 A 41 41 MET CA C 40 56.900 61.447 -4.547 1 1 400 . 30 1 1 A 41 41 MET CB C 40 33.700 32.886 0.814 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 0 0.000 1 2 1 1 1 "RMS(OBS, PRED)" CA 34 4.709 1 3 1 1 1 "RMS(OBS, PRED)" CB 29 14.312 1 4 1 1 1 "RMS(OBS, PRED)" H 35 0.504 1 5 1 1 1 "RMS(OBS, PRED)" HA 39 0.357 1 6 1 1 1 "RMS(OBS, PRED)" N 35 3.651 1 7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1 8 1 2 1 "RMS(OBS, PRED)" CA 34 4.777 1 9 1 2 1 "RMS(OBS, PRED)" CB 29 14.306 1 10 1 2 1 "RMS(OBS, PRED)" H 35 0.544 1 11 1 2 1 "RMS(OBS, PRED)" HA 39 0.354 1 12 1 2 1 "RMS(OBS, PRED)" N 35 3.558 1 13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1 14 1 3 1 "RMS(OBS, PRED)" CA 34 4.670 1 15 1 3 1 "RMS(OBS, PRED)" CB 29 14.430 1 16 1 3 1 "RMS(OBS, PRED)" H 35 0.579 1 17 1 3 1 "RMS(OBS, PRED)" HA 39 0.335 1 18 1 3 1 "RMS(OBS, PRED)" N 35 3.490 1 19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1 20 1 4 1 "RMS(OBS, PRED)" CA 34 4.735 1 21 1 4 1 "RMS(OBS, PRED)" CB 29 14.176 1 22 1 4 1 "RMS(OBS, PRED)" H 35 0.570 1 23 1 4 1 "RMS(OBS, PRED)" HA 39 0.361 1 24 1 4 1 "RMS(OBS, PRED)" N 35 3.464 1 25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1 26 1 5 1 "RMS(OBS, PRED)" CA 34 4.730 1 27 1 5 1 "RMS(OBS, PRED)" CB 29 14.465 1 28 1 5 1 "RMS(OBS, PRED)" H 35 0.590 1 29 1 5 1 "RMS(OBS, PRED)" HA 39 0.325 1 30 1 5 1 "RMS(OBS, PRED)" N 35 3.570 1 31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1 32 1 6 1 "RMS(OBS, PRED)" CA 34 4.769 1 33 1 6 1 "RMS(OBS, PRED)" CB 29 14.423 1 34 1 6 1 "RMS(OBS, PRED)" H 35 0.614 1 35 1 6 1 "RMS(OBS, PRED)" HA 39 0.347 1 36 1 6 1 "RMS(OBS, PRED)" N 35 3.625 1 37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1 38 1 7 1 "RMS(OBS, PRED)" CA 34 4.734 1 39 1 7 1 "RMS(OBS, PRED)" CB 29 14.420 1 40 1 7 1 "RMS(OBS, PRED)" H 35 0.604 1 41 1 7 1 "RMS(OBS, PRED)" HA 39 0.358 1 42 1 7 1 "RMS(OBS, PRED)" N 35 3.393 1 43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1 44 1 8 1 "RMS(OBS, PRED)" CA 34 4.905 1 45 1 8 1 "RMS(OBS, PRED)" CB 29 14.272 1 46 1 8 1 "RMS(OBS, PRED)" H 35 0.601 1 47 1 8 1 "RMS(OBS, PRED)" HA 39 0.360 1 48 1 8 1 "RMS(OBS, PRED)" N 35 3.368 1 49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1 50 1 9 1 "RMS(OBS, PRED)" CA 34 4.780 1 51 1 9 1 "RMS(OBS, PRED)" CB 29 14.428 1 52 1 9 1 "RMS(OBS, PRED)" H 35 0.579 1 53 1 9 1 "RMS(OBS, PRED)" HA 39 0.351 1 54 1 9 1 "RMS(OBS, PRED)" N 35 3.482 1 55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1 56 1 10 1 "RMS(OBS, PRED)" CA 34 4.721 1 57 1 10 1 "RMS(OBS, PRED)" CB 29 14.428 1 58 1 10 1 "RMS(OBS, PRED)" H 35 0.593 1 59 1 10 1 "RMS(OBS, PRED)" HA 39 0.340 1 60 1 10 1 "RMS(OBS, PRED)" N 35 3.567 1 61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1 62 1 11 1 "RMS(OBS, PRED)" CA 34 4.693 1 63 1 11 1 "RMS(OBS, PRED)" CB 29 14.392 1 64 1 11 1 "RMS(OBS, PRED)" H 35 0.570 1 65 1 11 1 "RMS(OBS, PRED)" HA 39 0.347 1 66 1 11 1 "RMS(OBS, PRED)" N 35 3.401 1 67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1 68 1 12 1 "RMS(OBS, PRED)" CA 34 4.893 1 69 1 12 1 "RMS(OBS, PRED)" CB 29 14.301 1 70 1 12 1 "RMS(OBS, PRED)" H 35 0.573 1 71 1 12 1 "RMS(OBS, PRED)" HA 39 0.357 1 72 1 12 1 "RMS(OBS, PRED)" N 35 3.471 1 73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1 74 1 13 1 "RMS(OBS, PRED)" CA 34 4.590 1 75 1 13 1 "RMS(OBS, PRED)" CB 29 14.382 1 76 1 13 1 "RMS(OBS, PRED)" H 35 0.515 1 77 1 13 1 "RMS(OBS, PRED)" HA 39 0.324 1 78 1 13 1 "RMS(OBS, PRED)" N 35 3.654 1 79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1 80 1 14 1 "RMS(OBS, PRED)" CA 34 4.798 1 81 1 14 1 "RMS(OBS, PRED)" CB 29 14.373 1 82 1 14 1 "RMS(OBS, PRED)" H 35 0.594 1 83 1 14 1 "RMS(OBS, PRED)" HA 39 0.339 1 84 1 14 1 "RMS(OBS, PRED)" N 35 3.524 1 85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1 86 1 15 1 "RMS(OBS, PRED)" CA 34 4.691 1 87 1 15 1 "RMS(OBS, PRED)" CB 29 14.402 1 88 1 15 1 "RMS(OBS, PRED)" H 35 0.584 1 89 1 15 1 "RMS(OBS, PRED)" HA 39 0.370 1 90 1 15 1 "RMS(OBS, PRED)" N 35 3.398 1 91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1 92 1 16 1 "RMS(OBS, PRED)" CA 34 4.726 1 93 1 16 1 "RMS(OBS, PRED)" CB 29 14.291 1 94 1 16 1 "RMS(OBS, PRED)" H 35 0.517 1 95 1 16 1 "RMS(OBS, PRED)" HA 39 0.351 1 96 1 16 1 "RMS(OBS, PRED)" N 35 3.583 1 97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1 98 1 17 1 "RMS(OBS, PRED)" CA 34 4.695 1 99 1 17 1 "RMS(OBS, PRED)" CB 29 14.306 1 100 1 17 1 "RMS(OBS, PRED)" H 35 0.555 1 101 1 17 1 "RMS(OBS, PRED)" HA 39 0.340 1 102 1 17 1 "RMS(OBS, PRED)" N 35 3.710 1 103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1 104 1 18 1 "RMS(OBS, PRED)" CA 34 4.702 1 105 1 18 1 "RMS(OBS, PRED)" CB 29 14.317 1 106 1 18 1 "RMS(OBS, PRED)" H 35 0.596 1 107 1 18 1 "RMS(OBS, PRED)" HA 39 0.357 1 108 1 18 1 "RMS(OBS, PRED)" N 35 3.657 1 109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1 110 1 19 1 "RMS(OBS, PRED)" CA 34 4.731 1 111 1 19 1 "RMS(OBS, PRED)" CB 29 14.298 1 112 1 19 1 "RMS(OBS, PRED)" H 35 0.547 1 113 1 19 1 "RMS(OBS, PRED)" HA 39 0.355 1 114 1 19 1 "RMS(OBS, PRED)" N 35 3.507 1 115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1 116 1 20 1 "RMS(OBS, PRED)" CA 34 4.703 1 117 1 20 1 "RMS(OBS, PRED)" CB 29 14.452 1 118 1 20 1 "RMS(OBS, PRED)" H 35 0.603 1 119 1 20 1 "RMS(OBS, PRED)" HA 39 0.336 1 120 1 20 1 "RMS(OBS, PRED)" N 35 3.555 1 121 1 21 1 "RMS(OBS, PRED)" C 0 0.000 1 122 1 21 1 "RMS(OBS, PRED)" CA 34 4.764 1 123 1 21 1 "RMS(OBS, PRED)" CB 29 14.320 1 124 1 21 1 "RMS(OBS, PRED)" H 35 0.520 1 125 1 21 1 "RMS(OBS, PRED)" HA 39 0.347 1 126 1 21 1 "RMS(OBS, PRED)" N 35 3.556 1 127 1 22 1 "RMS(OBS, PRED)" C 0 0.000 1 128 1 22 1 "RMS(OBS, PRED)" CA 34 4.744 1 129 1 22 1 "RMS(OBS, PRED)" CB 29 14.443 1 130 1 22 1 "RMS(OBS, PRED)" H 35 0.609 1 131 1 22 1 "RMS(OBS, PRED)" HA 39 0.333 1 132 1 22 1 "RMS(OBS, PRED)" N 35 3.402 1 133 1 23 1 "RMS(OBS, PRED)" C 0 0.000 1 134 1 23 1 "RMS(OBS, PRED)" CA 34 4.708 1 135 1 23 1 "RMS(OBS, PRED)" CB 29 14.419 1 136 1 23 1 "RMS(OBS, PRED)" H 35 0.579 1 137 1 23 1 "RMS(OBS, PRED)" HA 39 0.329 1 138 1 23 1 "RMS(OBS, PRED)" N 35 3.472 1 139 1 24 1 "RMS(OBS, PRED)" C 0 0.000 1 140 1 24 1 "RMS(OBS, PRED)" CA 34 4.775 1 141 1 24 1 "RMS(OBS, PRED)" CB 29 14.248 1 142 1 24 1 "RMS(OBS, PRED)" H 35 0.538 1 143 1 24 1 "RMS(OBS, PRED)" HA 39 0.354 1 144 1 24 1 "RMS(OBS, PRED)" N 35 3.517 1 145 1 25 1 "RMS(OBS, PRED)" C 0 0.000 1 146 1 25 1 "RMS(OBS, PRED)" CA 34 4.744 1 147 1 25 1 "RMS(OBS, PRED)" CB 29 14.409 1 148 1 25 1 "RMS(OBS, PRED)" H 35 0.537 1 149 1 25 1 "RMS(OBS, PRED)" HA 39 0.338 1 150 1 25 1 "RMS(OBS, PRED)" N 35 3.600 1 151 1 26 1 "RMS(OBS, PRED)" C 0 0.000 1 152 1 26 1 "RMS(OBS, PRED)" CA 34 4.803 1 153 1 26 1 "RMS(OBS, PRED)" CB 29 14.336 1 154 1 26 1 "RMS(OBS, PRED)" H 35 0.557 1 155 1 26 1 "RMS(OBS, PRED)" HA 39 0.356 1 156 1 26 1 "RMS(OBS, PRED)" N 35 3.312 1 157 1 27 1 "RMS(OBS, PRED)" C 0 0.000 1 158 1 27 1 "RMS(OBS, PRED)" CA 34 4.677 1 159 1 27 1 "RMS(OBS, PRED)" CB 29 14.324 1 160 1 27 1 "RMS(OBS, PRED)" H 35 0.554 1 161 1 27 1 "RMS(OBS, PRED)" HA 39 0.352 1 162 1 27 1 "RMS(OBS, PRED)" N 35 3.660 1 163 1 28 1 "RMS(OBS, PRED)" C 0 0.000 1 164 1 28 1 "RMS(OBS, PRED)" CA 34 4.780 1 165 1 28 1 "RMS(OBS, PRED)" CB 29 14.288 1 166 1 28 1 "RMS(OBS, PRED)" H 35 0.569 1 167 1 28 1 "RMS(OBS, PRED)" HA 39 0.364 1 168 1 28 1 "RMS(OBS, PRED)" N 35 3.474 1 169 1 29 1 "RMS(OBS, PRED)" C 0 0.000 1 170 1 29 1 "RMS(OBS, PRED)" CA 34 4.720 1 171 1 29 1 "RMS(OBS, PRED)" CB 29 14.248 1 172 1 29 1 "RMS(OBS, PRED)" H 35 0.509 1 173 1 29 1 "RMS(OBS, PRED)" HA 39 0.339 1 174 1 29 1 "RMS(OBS, PRED)" N 35 3.576 1 175 1 30 1 "RMS(OBS, PRED)" C 0 0.000 1 176 1 30 1 "RMS(OBS, PRED)" CA 34 4.692 1 177 1 30 1 "RMS(OBS, PRED)" CB 29 14.342 1 178 1 30 1 "RMS(OBS, PRED)" H 35 0.527 1 179 1 30 1 "RMS(OBS, PRED)" HA 39 0.328 1 180 1 30 1 "RMS(OBS, PRED)" N 35 3.487 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 6 . 1 1 A 3 3 LEU H H 2 8.530 8.514 0.016 2 1 7 . 1 1 A 3 3 LEU HA H 2 4.700 4.540 0.160 2 1 17 . 1 1 A 3 3 LEU CA C 2 54.700 59.556 -4.856 2 1 18 . 1 1 A 3 3 LEU CB C 2 43.000 63.975 -20.975 2 1 19 . 1 1 A 3 3 LEU N N 2 123.300 121.331 1.969 2 1 20 . 1 1 A 4 4 THR H H 3 9.520 7.739 1.781 2 1 21 . 1 1 A 4 4 THR HA H 3 4.830 4.353 0.477 2 1 26 . 1 1 A 4 4 THR CA C 3 61.300 54.545 6.755 2 1 27 . 1 1 A 4 4 THR CB C 3 71.100 40.814 30.286 2 1 28 . 1 1 A 4 4 THR N N 3 116.200 118.353 -2.153 2 1 29 . 1 1 A 5 5 TYR H H 4 9.380 8.333 1.047 2 1 30 . 1 1 A 5 5 TYR HA H 4 4.120 4.675 -0.554 2 1 37 . 1 1 A 5 5 TYR CA C 4 62.300 60.749 1.551 2 1 38 . 1 1 A 5 5 TYR CB C 4 38.600 71.131 -32.531 2 1 39 . 1 1 A 5 5 TYR N N 4 121.600 111.657 9.943 2 1 40 . 1 1 A 6 6 GLU H H 5 9.000 9.062 -0.062 2 1 41 . 1 1 A 6 6 GLU HA H 5 3.900 4.158 -0.258 2 1 46 . 1 1 A 6 6 GLU CA C 5 60.500 62.191 -1.691 2 1 47 . 1 1 A 6 6 GLU CB C 5 28.700 39.077 -10.377 2 1 48 . 1 1 A 6 6 GLU N N 5 115.500 122.044 -6.544 2 1 49 . 1 1 A 7 7 GLU H H 6 7.920 8.390 -0.470 2 1 50 . 1 1 A 7 7 GLU HA H 6 4.060 3.998 0.062 2 1 55 . 1 1 A 7 7 GLU CA C 6 59.200 58.889 0.311 2 1 56 . 1 1 A 7 7 GLU CB C 6 30.400 29.217 1.183 2 1 57 . 1 1 A 7 7 GLU N N 6 118.900 118.806 0.094 2 1 58 . 1 1 A 8 8 VAL H H 7 8.590 8.306 0.284 2 1 59 . 1 1 A 8 8 VAL HA H 7 3.640 4.121 -0.481 2 1 67 . 1 1 A 8 8 VAL CA C 7 66.400 58.656 7.744 2 1 68 . 1 1 A 8 8 VAL CB C 7 30.800 29.637 1.163 2 1 69 . 1 1 A 8 8 VAL N N 7 119.300 119.928 -0.628 2 1 70 . 1 1 A 9 9 LEU H H 8 8.230 7.691 0.539 2 1 71 . 1 1 A 9 9 LEU HA H 8 3.870 3.902 -0.032 2 1 81 . 1 1 A 9 9 LEU CA C 8 58.500 65.039 -6.539 2 1 82 . 1 1 A 9 9 LEU CB C 8 41.100 31.374 9.726 2 1 83 . 1 1 A 9 9 LEU N N 8 120.600 119.300 1.300 2 1 84 . 1 1 A 10 10 GLN H H 9 7.910 7.722 0.188 2 1 85 . 1 1 A 10 10 GLN HA H 9 4.090 3.765 0.325 2 1 92 . 1 1 A 10 10 GLN CA C 9 58.500 58.134 0.366 2 1 93 . 1 1 A 10 10 GLN CB C 9 27.900 41.414 -13.514 2 1 94 . 1 1 A 10 10 GLN N N 9 117.200 121.329 -4.129 2 1 96 . 1 1 A 11 11 GLU H H 10 8.200 7.907 0.293 2 1 97 . 1 1 A 11 11 GLU HA H 10 4.210 4.078 0.132 2 1 102 . 1 1 A 11 11 GLU CA C 10 58.700 58.843 -0.143 2 1 103 . 1 1 A 11 11 GLU CB C 10 29.600 28.494 1.106 2 1 104 . 1 1 A 11 11 GLU N N 11 120.200 120.117 0.083 2 1 105 . 1 1 A 12 12 LEU HA H 11 3.910 4.070 -0.160 2 1 115 . 1 1 A 12 12 LEU CA C 11 58.900 59.090 -0.190 2 1 116 . 1 1 A 12 12 LEU CB C 11 40.900 29.211 11.689 2 1 117 . 1 1 A 12 12 LEU N N 11 124.600 120.117 4.483 2 1 118 . 1 1 A 13 13 VAL H H 12 8.180 7.799 0.381 2 1 119 . 1 1 A 13 13 VAL HA H 12 3.500 3.971 -0.471 2 1 121 . 1 1 A 13 13 VAL CA C 12 67.300 58.062 9.238 2 1 122 . 1 1 A 13 13 VAL CB C 12 31.500 41.818 -10.318 2 1 123 . 1 1 A 13 13 VAL N N 12 120.300 121.984 -1.684 2 1 124 . 1 1 A 14 14 LYS H H 13 8.020 7.827 0.193 2 1 125 . 1 1 A 14 14 LYS HA H 13 4.080 3.765 0.315 2 1 132 . 1 1 A 14 14 LYS CA C 13 59.200 65.045 -5.845 2 1 133 . 1 1 A 14 14 LYS CB C 13 31.500 31.582 -0.082 2 1 134 . 1 1 A 14 14 LYS N N 13 118.700 118.448 0.252 2 1 135 . 1 1 A 15 15 HIS H H 14 8.580 7.832 0.748 2 1 136 . 1 1 A 15 15 HIS HA H 14 4.120 4.077 0.043 2 1 141 . 1 1 A 15 15 HIS CA C 14 61.900 59.143 2.757 2 1 142 . 1 1 A 15 15 HIS CB C 14 32.000 32.497 -0.497 2 1 143 . 1 1 A 15 15 HIS N N 14 117.800 121.540 -3.740 2 1 144 . 1 1 A 16 16 LYS H H 15 8.670 7.933 0.737 2 1 145 . 1 1 A 16 16 LYS HA H 15 4.220 4.290 -0.070 2 1 154 . 1 1 A 16 16 LYS N N 15 120.300 118.386 1.914 2 1 155 . 1 1 A 17 17 GLU H H 16 7.910 8.116 -0.206 2 1 156 . 1 1 A 17 17 GLU HA H 16 4.160 3.946 0.214 2 1 159 . 1 1 A 17 17 GLU N N 16 120.000 119.294 0.706 2 1 160 . 1 1 A 18 18 LEU H H 17 8.370 8.223 0.147 2 1 161 . 1 1 A 18 18 LEU HA H 17 4.670 4.141 0.529 2 1 171 . 1 1 A 18 18 LEU CB C 17 37.300 29.234 8.066 2 1 172 . 1 1 A 18 18 LEU N N 17 121.200 119.557 1.643 2 1 173 . 1 1 A 19 19 LEU H H 18 8.450 8.242 0.207 2 1 174 . 1 1 A 19 19 LEU HA H 18 3.880 4.024 -0.144 2 1 184 . 1 1 A 19 19 LEU N N 18 119.300 120.547 -1.247 2 1 185 . 1 1 A 20 20 ARG H H 19 7.620 8.070 -0.450 2 1 186 . 1 1 A 20 20 ARG HA H 19 4.240 3.960 0.280 2 1 193 . 1 1 A 20 20 ARG CA C 19 59.300 57.539 1.761 2 1 194 . 1 1 A 20 20 ARG CB C 19 29.800 41.197 -11.397 2 1 195 . 1 1 A 20 20 ARG N N 19 117.900 118.783 -0.883 2 1 196 . 1 1 A 21 21 ARG H H 20 8.000 8.114 -0.114 2 1 197 . 1 1 A 21 21 ARG HA H 20 4.120 3.989 0.131 2 1 204 . 1 1 A 21 21 ARG CA C 20 59.200 59.795 -0.595 2 1 205 . 1 1 A 21 21 ARG CB C 20 29.400 29.985 -0.585 2 1 206 . 1 1 A 21 21 ARG N N 20 118.300 119.685 -1.385 2 1 207 . 1 1 A 22 22 LYS H H 21 8.600 7.794 0.806 2 1 208 . 1 1 A 22 22 LYS HA H 21 4.210 4.006 0.204 2 1 217 . 1 1 A 22 22 LYS CA C 21 59.000 59.250 -0.250 2 1 218 . 1 1 A 22 22 LYS CB C 21 29.400 29.980 -0.580 2 1 219 . 1 1 A 22 22 LYS N N 21 120.900 119.459 1.442 2 1 220 . 1 1 A 23 23 ASP H H 22 8.560 7.714 0.846 2 1 221 . 1 1 A 23 23 ASP HA H 22 4.650 4.029 0.621 2 1 224 . 1 1 A 23 23 ASP CA C 22 57.300 59.534 -2.234 2 1 225 . 1 1 A 23 23 ASP CB C 22 40.200 32.209 7.991 2 1 226 . 1 1 A 23 23 ASP N N 22 119.500 118.971 0.529 2 1 227 . 1 1 A 24 24 THR H H 23 8.240 7.913 0.327 2 1 228 . 1 1 A 24 24 THR HA H 23 4.380 4.473 -0.093 2 1 233 . 1 1 A 24 24 THR CA C 23 66.600 56.758 9.842 2 1 234 . 1 1 A 24 24 THR CB C 23 68.400 40.893 27.507 2 1 235 . 1 1 A 24 24 THR N N 23 117.800 119.555 -1.755 2 1 236 . 1 1 A 25 25 HIS H H 24 7.970 7.885 0.085 2 1 237 . 1 1 A 25 25 HIS HA H 24 4.600 4.020 0.580 2 1 241 . 1 1 A 25 25 HIS CA C 24 57.000 65.982 -8.982 2 1 242 . 1 1 A 25 25 HIS CB C 24 32.000 68.730 -36.730 2 1 243 . 1 1 A 25 25 HIS N N 24 122.100 115.708 6.392 2 1 244 . 1 1 A 26 26 ILE H H 25 8.760 8.353 0.407 2 1 245 . 1 1 A 26 26 ILE HA H 25 4.020 4.380 -0.360 2 1 252 . 1 1 A 26 26 ILE CA C 25 61.300 60.049 1.251 2 1 253 . 1 1 A 26 26 ILE CB C 25 37.900 30.291 7.609 2 1 254 . 1 1 A 26 26 ILE N N 25 119.100 121.051 -1.951 2 1 255 . 1 1 A 27 27 ARG H H 26 7.820 7.723 0.097 2 1 256 . 1 1 A 27 27 ARG HA H 26 4.210 3.810 0.400 2 1 263 . 1 1 A 27 27 ARG CA C 26 58.700 64.434 -5.734 2 1 264 . 1 1 A 27 27 ARG CB C 26 29.400 37.495 -8.095 2 1 265 . 1 1 A 27 27 ARG N N 26 118.300 116.809 1.491 2 1 266 . 1 1 A 28 28 GLU H H 27 8.020 8.095 -0.075 2 1 267 . 1 1 A 28 28 GLU HA H 27 4.140 4.010 0.130 2 1 272 . 1 1 A 28 28 GLU CA C 27 60.500 59.213 1.287 2 1 273 . 1 1 A 28 28 GLU N N 27 118.600 121.524 -2.924 2 1 274 . 1 1 A 29 29 LEU H H 28 8.370 8.294 0.076 2 1 275 . 1 1 A 29 29 LEU HA H 28 4.250 4.049 0.201 2 1 285 . 1 1 A 29 29 LEU N N 28 121.200 118.040 3.160 2 1 286 . 1 1 A 30 30 GLU H H 29 8.910 8.360 0.550 2 1 287 . 1 1 A 30 30 GLU HA H 29 4.180 4.292 -0.112 2 1 290 . 1 1 A 30 30 GLU CA C 29 60.100 57.099 3.001 2 1 291 . 1 1 A 30 30 GLU CB C 29 29.200 41.472 -12.272 2 1 292 . 1 1 A 30 30 GLU N N 29 119.000 121.633 -2.633 2 1 293 . 1 1 A 31 31 ASP H H 30 8.580 8.110 0.470 2 1 294 . 1 1 A 31 31 ASP HA H 30 4.420 4.062 0.358 2 1 297 . 1 1 A 31 31 ASP CA C 30 57.000 59.560 -2.560 2 1 298 . 1 1 A 31 31 ASP N N 30 119.400 119.297 0.103 2 1 299 . 1 1 A 32 32 TYR H H 31 8.100 7.843 0.257 2 1 300 . 1 1 A 32 32 TYR HA H 31 4.520 4.372 0.148 2 1 307 . 1 1 A 32 32 TYR CA C 31 58.200 56.941 1.259 2 1 308 . 1 1 A 32 32 TYR N N 31 122.100 119.673 2.427 2 1 309 . 1 1 A 33 33 ILE HA H 32 4.070 4.300 -0.230 2 1 316 . 1 1 A 33 33 ILE CA C 32 58.200 61.123 -2.923 2 1 317 . 1 1 A 34 34 ASP H H 33 8.130 7.882 0.248 2 1 318 . 1 1 A 34 34 ASP HA H 33 4.380 3.830 0.550 2 1 321 . 1 1 A 34 34 ASP CA C 33 57.300 63.660 -6.360 2 1 322 . 1 1 A 34 34 ASP CB C 33 40.600 37.356 3.244 2 1 323 . 1 1 A 34 34 ASP N N 33 118.100 119.930 -1.830 2 1 324 . 1 1 A 35 35 ASN H H 34 7.790 8.140 -0.350 2 1 325 . 1 1 A 35 35 ASN HA H 34 4.520 4.381 0.139 2 1 330 . 1 1 A 35 35 ASN CA C 34 55.300 57.395 -2.095 2 1 331 . 1 1 A 35 35 ASN CB C 34 39.800 40.398 -0.598 2 1 332 . 1 1 A 35 35 ASN N N 34 115.600 121.996 -6.396 2 1 333 . 1 1 A 36 36 LEU HA H 35 3.750 4.394 -0.644 2 1 343 . 1 1 A 36 36 LEU CA C 35 56.300 56.779 -0.479 2 1 344 . 1 1 A 37 37 LEU HA H 36 4.280 4.059 0.221 2 1 354 . 1 1 A 37 37 LEU CA C 36 55.800 57.774 -1.974 2 1 355 . 1 1 A 37 37 LEU CB C 36 42.300 41.819 0.480 2 1 356 . 1 1 A 38 38 VAL H H 37 7.500 7.516 -0.016 2 1 357 . 1 1 A 38 38 VAL HA H 37 4.070 4.566 -0.496 2 1 365 . 1 1 A 38 38 VAL CA C 37 62.800 53.858 8.942 2 1 366 . 1 1 A 38 38 VAL CB C 37 33.600 41.581 -7.981 2 1 367 . 1 1 A 38 38 VAL N N 37 115.900 112.464 3.436 2 1 368 . 1 1 A 39 39 ARG H H 38 7.920 7.869 0.051 2 1 369 . 1 1 A 39 39 ARG HA H 38 4.360 4.487 -0.127 2 1 376 . 1 1 A 39 39 ARG CA C 38 60.500 60.137 0.363 2 1 377 . 1 1 A 39 39 ARG N N 38 121.300 119.198 2.102 2 1 378 . 1 1 A 40 40 VAL H H 39 8.000 8.407 -0.407 2 1 379 . 1 1 A 40 40 VAL HA H 39 4.180 4.443 -0.263 2 1 387 . 1 1 A 40 40 VAL CA C 39 62.600 56.353 6.247 2 1 388 . 1 1 A 40 40 VAL CB C 39 32.600 30.769 1.831 2 1 389 . 1 1 A 40 40 VAL N N 39 119.000 125.381 -6.381 2 1 390 . 1 1 A 41 41 MET H H 40 7.990 8.575 -0.585 2 1 391 . 1 1 A 41 41 MET HA H 40 4.550 4.676 -0.126 2 1 399 . 1 1 A 41 41 MET CA C 40 56.900 60.768 -3.868 2 1 400 . 1 1 A 41 41 MET CB C 40 33.700 33.327 0.373 2 stop_ save_