data_16364_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16364 _Entry.PDB_ID 2KKL _Entry.NMR_STAR_version 3.0.9.100 save_ save_delta_chem_shifts_single _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single _Entity_delta_chem_shifts.Conformer_type "single" _Entity_delta_chem_shifts.Conformer_count 20 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 15 . 1 1 1 A 2 2 PHE H H 25 8.640 7.834 0.806 1 1 16 . 1 1 1 A 2 2 PHE HA H 25 4.630 4.555 0.075 1 1 24 . 1 1 1 A 2 2 PHE C C 25 175.000 175.129 -0.129 1 1 25 . 1 1 1 A 2 2 PHE CA C 25 58.000 57.659 0.341 1 1 26 . 1 1 1 A 2 2 PHE CB C 25 39.700 39.486 0.214 1 1 31 . 1 1 1 A 3 3 ARG H H 26 8.210 7.003 1.207 1 1 32 . 1 1 1 A 3 3 ARG HA H 26 4.200 4.751 -0.551 1 1 40 . 1 1 1 A 3 3 ARG C C 26 175.100 173.875 1.225 1 1 41 . 1 1 1 A 3 3 ARG CA C 26 55.600 55.453 0.147 1 1 42 . 1 1 1 A 3 3 ARG CB C 26 31.300 32.717 -1.417 1 1 45 . 1 1 1 A 3 3 ARG N N 26 125.000 120.877 4.123 1 1 47 . 1 1 1 A 4 4 ALA H H 27 8.260 8.689 -0.429 1 1 48 . 1 1 1 A 4 4 ALA HA H 27 4.090 4.319 -0.229 1 1 52 . 1 1 1 A 4 4 ALA C C 27 177.300 176.610 0.690 1 1 53 . 1 1 1 A 4 4 ALA CA C 27 52.800 52.255 0.545 1 1 54 . 1 1 1 A 4 4 ALA CB C 27 19.200 19.096 0.104 1 1 55 . 1 1 1 A 4 4 ALA N N 27 125.400 128.438 -3.038 1 1 56 . 1 1 1 A 5 5 ASP H H 28 8.260 8.573 -0.313 1 1 57 . 1 1 1 A 5 5 ASP HA H 28 4.470 4.503 -0.033 1 1 60 . 1 1 1 A 5 5 ASP C C 28 176.200 174.468 1.732 1 1 61 . 1 1 1 A 5 5 ASP CA C 28 54.500 53.299 1.201 1 1 62 . 1 1 1 A 5 5 ASP CB C 28 40.700 39.043 1.657 1 1 63 . 1 1 1 A 5 5 ASP N N 28 118.200 122.108 -3.908 1 1 64 . 1 1 1 A 6 6 PHE H H 29 7.930 8.812 -0.882 1 1 65 . 1 1 1 A 6 6 PHE HA H 29 4.510 4.956 -0.446 1 1 73 . 1 1 1 A 6 6 PHE C C 29 175.700 174.741 0.959 1 1 74 . 1 1 1 A 6 6 PHE CA C 29 58.000 55.652 2.348 1 1 75 . 1 1 1 A 6 6 PHE CB C 29 39.300 41.056 -1.756 1 1 81 . 1 1 1 A 6 6 PHE N N 29 119.400 119.343 0.057 1 1 82 . 1 1 1 A 7 7 LEU H H 30 8.000 8.665 -0.665 1 1 83 . 1 1 1 A 7 7 LEU HA H 30 4.210 3.865 0.345 1 1 93 . 1 1 1 A 7 7 LEU C C 30 177.400 175.847 1.553 1 1 94 . 1 1 1 A 7 7 LEU CA C 30 55.400 56.270 -0.870 1 1 95 . 1 1 1 A 7 7 LEU CB C 30 42.200 40.260 1.940 1 1 99 . 1 1 1 A 7 7 LEU N N 30 122.100 119.797 2.303 1 1 100 . 1 1 1 A 8 8 SER H H 31 8.130 7.545 0.585 1 1 101 . 1 1 1 A 8 8 SER HA H 31 4.330 4.287 0.043 1 1 104 . 1 1 1 A 8 8 SER C C 31 174.900 174.654 0.246 1 1 105 . 1 1 1 A 8 8 SER CA C 31 58.800 58.802 -0.002 1 1 106 . 1 1 1 A 8 8 SER CB C 31 63.800 63.615 0.185 1 1 107 . 1 1 1 A 8 8 SER N N 31 116.000 115.037 0.963 1 1 108 . 1 1 1 A 9 9 GLU H H 32 8.380 9.343 -0.963 1 1 109 . 1 1 1 A 9 9 GLU HA H 32 4.240 3.918 0.322 1 1 114 . 1 1 1 A 9 9 GLU C C 32 176.600 176.243 0.357 1 1 115 . 1 1 1 A 9 9 GLU CA C 32 57.000 57.575 -0.575 1 1 116 . 1 1 1 A 9 9 GLU CB C 32 30.000 28.025 1.975 1 1 118 . 1 1 1 A 9 9 GLU N N 32 122.200 119.609 2.591 1 1 119 . 1 1 1 A 10 10 LEU H H 33 7.990 7.851 0.139 1 1 120 . 1 1 1 A 10 10 LEU HA H 33 4.220 3.963 0.257 1 1 130 . 1 1 1 A 10 10 LEU C C 33 177.100 176.569 0.531 1 1 131 . 1 1 1 A 10 10 LEU CA C 33 55.500 57.012 -1.512 1 1 132 . 1 1 1 A 10 10 LEU CB C 33 42.200 40.823 1.377 1 1 136 . 1 1 1 A 10 10 LEU N N 33 121.200 112.735 8.465 1 1 137 . 1 1 1 A 11 11 ASP H H 34 8.090 8.586 -0.496 1 1 138 . 1 1 1 A 11 11 ASP HA H 34 4.550 4.868 -0.318 1 1 141 . 1 1 1 A 11 11 ASP C C 34 175.400 176.846 -1.446 1 1 142 . 1 1 1 A 11 11 ASP CA C 34 54.200 55.376 -1.176 1 1 143 . 1 1 1 A 11 11 ASP CB C 34 41.300 42.964 -1.664 1 1 144 . 1 1 1 A 11 11 ASP N N 34 120.000 124.862 -4.862 1 1 145 . 1 1 1 A 12 12 ALA H H 35 7.950 7.621 0.329 1 1 146 . 1 1 1 A 12 12 ALA HA H 35 4.510 4.646 -0.136 1 1 150 . 1 1 1 A 12 12 ALA CA C 35 50.800 50.303 0.497 1 1 151 . 1 1 1 A 12 12 ALA CB C 35 18.300 19.048 -0.748 1 1 152 . 1 1 1 A 12 12 ALA N N 35 124.600 117.384 7.216 1 1 153 . 1 1 1 A 13 13 PRO HA H 36 4.360 4.499 -0.139 1 1 160 . 1 1 1 A 13 13 PRO C C 36 176.900 176.564 0.336 1 1 161 . 1 1 1 A 13 13 PRO CA C 36 63.200 62.816 0.384 1 1 162 . 1 1 1 A 13 13 PRO CB C 36 32.000 32.799 -0.799 1 1 165 . 1 1 1 A 14 14 ALA H H 37 8.390 8.447 -0.057 1 1 166 . 1 1 1 A 14 14 ALA HA H 37 4.230 4.257 -0.027 1 1 170 . 1 1 1 A 14 14 ALA C C 37 177.900 177.302 0.598 1 1 171 . 1 1 1 A 14 14 ALA CA C 37 52.600 54.740 -2.140 1 1 172 . 1 1 1 A 14 14 ALA CB C 37 19.300 19.150 0.150 1 1 173 . 1 1 1 A 14 14 ALA N N 37 123.900 122.971 0.929 1 1 174 . 1 1 1 A 15 15 GLN H H 38 8.330 7.900 0.430 1 1 175 . 1 1 1 A 15 15 GLN HA H 38 4.280 4.391 -0.111 1 1 182 . 1 1 1 A 15 15 GLN C C 38 175.800 175.250 0.550 1 1 183 . 1 1 1 A 15 15 GLN CA C 38 55.700 55.888 -0.188 1 1 184 . 1 1 1 A 15 15 GLN CB C 38 29.600 29.872 -0.272 1 1 187 . 1 1 1 A 15 15 GLN N N 38 119.300 117.095 2.205 1 1 189 . 1 1 1 A 16 16 ALA H H 39 8.410 8.477 -0.067 1 1 190 . 1 1 1 A 16 16 ALA HA H 39 4.070 4.397 -0.327 1 1 194 . 1 1 1 A 16 16 ALA C C 39 178.200 178.334 -0.134 1 1 195 . 1 1 1 A 16 16 ALA CA C 39 52.800 52.319 0.481 1 1 196 . 1 1 1 A 16 16 ALA CB C 39 19.300 21.128 -1.828 1 1 197 . 1 1 1 A 16 16 ALA N N 39 125.600 126.452 -0.852 1 1 198 . 1 1 1 A 17 17 GLY H H 40 8.510 8.190 0.320 1 1 199 . 1 1 1 A 17 17 GLY HA2 H 40 4.010 3.935 0.075 1 1 200 . 1 1 1 A 17 17 GLY HA3 H 40 4.010 3.936 0.074 1 1 201 . 1 1 1 A 17 17 GLY C C 40 174.600 174.568 0.032 1 1 202 . 1 1 1 A 17 17 GLY CA C 40 45.400 46.728 -1.328 1 1 203 . 1 1 1 A 17 17 GLY N N 40 108.500 108.044 0.456 1 1 204 . 1 1 1 A 18 18 THR H H 41 8.020 7.906 0.114 1 1 205 . 1 1 1 A 18 18 THR HA H 41 4.320 4.446 -0.126 1 1 210 . 1 1 1 A 18 18 THR C C 41 174.900 173.927 0.973 1 1 211 . 1 1 1 A 18 18 THR CA C 41 62.100 62.087 0.013 1 1 212 . 1 1 1 A 18 18 THR CB C 41 69.900 70.618 -0.718 1 1 214 . 1 1 1 A 18 18 THR N N 41 112.900 110.605 2.295 1 1 215 . 1 1 1 A 19 19 GLU H H 42 8.630 9.153 -0.523 1 1 216 . 1 1 1 A 19 19 GLU HA H 42 4.300 4.471 -0.171 1 1 221 . 1 1 1 A 19 19 GLU C C 42 176.600 175.569 1.031 1 1 222 . 1 1 1 A 19 19 GLU CA C 42 56.900 57.869 -0.969 1 1 223 . 1 1 1 A 19 19 GLU CB C 42 30.000 30.926 -0.926 1 1 225 . 1 1 1 A 19 19 GLU N N 42 123.000 122.240 0.760 1 1 226 . 1 1 1 A 20 20 SER H H 43 8.330 7.794 0.536 1 1 227 . 1 1 1 A 20 20 SER HA H 43 4.400 4.508 -0.108 1 1 230 . 1 1 1 A 20 20 SER C C 43 174.300 173.625 0.675 1 1 231 . 1 1 1 A 20 20 SER CA C 43 58.500 57.970 0.530 1 1 232 . 1 1 1 A 20 20 SER CB C 43 63.900 64.784 -0.884 1 1 233 . 1 1 1 A 20 20 SER N N 43 116.600 112.730 3.870 1 1 234 . 1 1 1 A 21 21 ALA H H 44 8.320 8.786 -0.466 1 1 235 . 1 1 1 A 21 21 ALA HA H 44 4.300 4.423 -0.123 1 1 239 . 1 1 1 A 21 21 ALA C C 44 177.700 177.644 0.056 1 1 240 . 1 1 1 A 21 21 ALA CA C 44 52.700 53.217 -0.517 1 1 241 . 1 1 1 A 21 21 ALA CB C 44 19.300 19.715 -0.415 1 1 242 . 1 1 1 A 21 21 ALA N N 44 126.000 122.313 3.687 1 1 243 . 1 1 1 A 22 22 VAL H H 45 8.040 7.678 0.362 1 1 244 . 1 1 1 A 22 22 VAL HA H 45 4.100 4.503 -0.403 1 1 252 . 1 1 1 A 22 22 VAL C C 45 176.100 175.745 0.355 1 1 253 . 1 1 1 A 22 22 VAL CA C 45 62.300 61.216 1.084 1 1 254 . 1 1 1 A 22 22 VAL CB C 45 32.700 32.578 0.122 1 1 257 . 1 1 1 A 22 22 VAL N N 45 118.100 114.972 3.128 1 1 258 . 1 1 1 A 23 23 SER H H 46 8.370 7.660 0.710 1 1 259 . 1 1 1 A 23 23 SER HA H 46 4.410 4.761 -0.351 1 1 262 . 1 1 1 A 23 23 SER C C 46 174.900 174.333 0.567 1 1 263 . 1 1 1 A 23 23 SER CA C 46 58.500 57.311 1.189 1 1 264 . 1 1 1 A 23 23 SER CB C 46 63.900 64.131 -0.231 1 1 265 . 1 1 1 A 23 23 SER N N 46 119.100 117.381 1.719 1 1 266 . 1 1 1 A 24 24 GLY H H 47 8.370 8.831 -0.461 1 1 267 . 1 1 1 A 24 24 GLY HA2 H 47 3.950 3.901 0.049 1 1 268 . 1 1 1 A 24 24 GLY HA3 H 47 3.950 3.916 0.034 1 1 269 . 1 1 1 A 24 24 GLY C C 47 174.200 174.995 -0.795 1 1 270 . 1 1 1 A 24 24 GLY CA C 47 45.400 45.533 -0.133 1 1 271 . 1 1 1 A 24 24 GLY N N 47 110.500 112.823 -2.323 1 1 272 . 1 1 1 A 25 25 VAL H H 48 7.980 7.665 0.315 1 1 273 . 1 1 1 A 25 25 VAL HA H 48 4.040 3.848 0.192 1 1 281 . 1 1 1 A 25 25 VAL C C 48 176.100 177.241 -1.141 1 1 282 . 1 1 1 A 25 25 VAL CA C 48 62.200 64.648 -2.448 1 1 283 . 1 1 1 A 25 25 VAL CB C 48 32.500 30.972 1.528 1 1 286 . 1 1 1 A 25 25 VAL N N 48 118.100 120.445 -2.345 1 1 287 . 1 1 1 A 26 26 GLU H H 49 8.580 8.013 0.567 1 1 288 . 1 1 1 A 26 26 GLU HA H 49 4.160 3.996 0.164 1 1 293 . 1 1 1 A 26 26 GLU C C 49 176.900 178.161 -1.261 1 1 294 . 1 1 1 A 26 26 GLU CA C 49 57.400 59.180 -1.780 1 1 295 . 1 1 1 A 26 26 GLU CB C 49 29.800 29.338 0.462 1 1 297 . 1 1 1 A 26 26 GLU N N 49 123.900 121.986 1.914 1 1 298 . 1 1 1 A 27 27 GLY H H 50 8.330 8.039 0.291 1 1 299 . 1 1 1 A 27 27 GLY HA2 H 50 3.890 4.030 -0.140 1 1 300 . 1 1 1 A 27 27 GLY HA3 H 50 3.830 4.040 -0.210 1 1 301 . 1 1 1 A 27 27 GLY C C 50 173.800 174.457 -0.657 1 1 302 . 1 1 1 A 27 27 GLY CA C 50 45.200 45.239 -0.039 1 1 303 . 1 1 1 A 27 27 GLY N N 50 109.500 107.816 1.684 1 1 304 . 1 1 1 A 28 28 LEU H H 51 7.770 8.028 -0.258 1 1 305 . 1 1 1 A 28 28 LEU HA H 51 4.470 4.085 0.385 1 1 315 . 1 1 1 A 28 28 LEU CA C 51 52.800 55.506 -2.706 1 1 316 . 1 1 1 A 28 28 LEU CB C 51 42.200 39.655 2.545 1 1 320 . 1 1 1 A 28 28 LEU N N 51 123.000 118.565 4.435 1 1 321 . 1 1 1 A 29 29 PRO HA H 52 4.660 4.279 0.381 1 1 328 . 1 1 1 A 29 29 PRO CA C 52 61.600 65.906 -4.306 1 1 329 . 1 1 1 A 29 29 PRO CB C 52 30.800 31.828 -1.028 1 1 332 . 1 1 1 A 30 30 PRO HA H 53 4.340 4.498 -0.158 1 1 339 . 1 1 1 A 30 30 PRO C C 53 177.500 176.619 0.881 1 1 340 . 1 1 1 A 30 30 PRO CA C 53 63.500 62.914 0.586 1 1 341 . 1 1 1 A 30 30 PRO CB C 53 32.000 31.955 0.045 1 1 344 . 1 1 1 A 31 31 GLY H H 54 8.690 8.378 0.312 1 1 345 . 1 1 1 A 31 31 GLY HA2 H 54 4.060 3.890 0.170 1 1 346 . 1 1 1 A 31 31 GLY HA3 H 54 3.660 3.922 -0.262 1 1 347 . 1 1 1 A 31 31 GLY C C 54 172.900 173.713 -0.813 1 1 348 . 1 1 1 A 31 31 GLY CA C 54 45.400 46.769 -1.369 1 1 349 . 1 1 1 A 31 31 GLY N N 54 110.100 109.355 0.745 1 1 350 . 1 1 1 A 32 32 LEU H H 55 7.510 9.049 -1.539 1 1 351 . 1 1 1 A 32 32 LEU HA H 55 4.960 5.303 -0.343 1 1 361 . 1 1 1 A 32 32 LEU C C 55 175.400 175.377 0.023 1 1 362 . 1 1 1 A 32 32 LEU CA C 55 54.100 53.237 0.863 1 1 363 . 1 1 1 A 32 32 LEU CB C 55 44.400 45.808 -1.408 1 1 367 . 1 1 1 A 32 32 LEU N N 55 119.300 125.513 -6.213 1 1 368 . 1 1 1 A 33 33 ALA H H 56 7.840 8.695 -0.855 1 1 369 . 1 1 1 A 33 33 ALA HA H 56 4.500 4.876 -0.376 1 1 373 . 1 1 1 A 33 33 ALA C C 56 178.200 175.357 2.843 1 1 374 . 1 1 1 A 33 33 ALA CA C 56 51.100 49.949 1.151 1 1 375 . 1 1 1 A 33 33 ALA CB C 56 23.900 22.474 1.426 1 1 376 . 1 1 1 A 33 33 ALA N N 56 121.800 123.250 -1.450 1 1 377 . 1 1 1 A 34 34 LEU H H 57 8.640 8.042 0.598 1 1 378 . 1 1 1 A 34 34 LEU HA H 57 4.930 5.092 -0.162 1 1 388 . 1 1 1 A 34 34 LEU C C 57 174.400 175.921 -1.521 1 1 389 . 1 1 1 A 34 34 LEU CA C 57 53.400 53.505 -0.105 1 1 390 . 1 1 1 A 34 34 LEU CB C 57 47.300 45.011 2.289 1 1 394 . 1 1 1 A 34 34 LEU N N 57 119.200 120.874 -1.674 1 1 395 . 1 1 1 A 35 35 LEU H H 58 8.640 8.368 0.272 1 1 396 . 1 1 1 A 35 35 LEU HA H 58 5.440 5.334 0.106 1 1 406 . 1 1 1 A 35 35 LEU C C 58 176.200 175.717 0.483 1 1 407 . 1 1 1 A 35 35 LEU CA C 58 52.600 53.336 -0.736 1 1 408 . 1 1 1 A 35 35 LEU CB C 58 46.000 44.628 1.372 1 1 412 . 1 1 1 A 35 35 LEU N N 58 119.400 122.284 -2.884 1 1 413 . 1 1 1 A 36 36 VAL H H 59 8.960 8.824 0.136 1 1 414 . 1 1 1 A 36 36 VAL HA H 59 4.860 4.867 -0.007 1 1 422 . 1 1 1 A 36 36 VAL C C 59 176.400 175.711 0.689 1 1 423 . 1 1 1 A 36 36 VAL CA C 59 59.900 60.115 -0.215 1 1 424 . 1 1 1 A 36 36 VAL CB C 59 34.600 34.532 0.068 1 1 427 . 1 1 1 A 36 36 VAL N N 59 120.700 124.357 -3.657 1 1 428 . 1 1 1 A 37 37 VAL H H 60 8.830 8.721 0.109 1 1 429 . 1 1 1 A 37 37 VAL HA H 60 4.170 4.255 -0.085 1 1 437 . 1 1 1 A 37 37 VAL C C 60 176.000 176.399 -0.399 1 1 438 . 1 1 1 A 37 37 VAL CA C 60 63.900 63.166 0.734 1 1 439 . 1 1 1 A 37 37 VAL CB C 60 31.400 31.004 0.396 1 1 442 . 1 1 1 A 37 37 VAL N N 60 125.700 126.939 -1.239 1 1 443 . 1 1 1 A 38 38 LYS H H 61 9.400 8.548 0.852 1 1 444 . 1 1 1 A 38 38 LYS HA H 61 4.450 4.123 0.327 1 1 453 . 1 1 1 A 38 38 LYS C C 61 176.000 176.045 -0.045 1 1 454 . 1 1 1 A 38 38 LYS CA C 61 56.900 58.382 -1.482 1 1 455 . 1 1 1 A 38 38 LYS CB C 61 34.200 33.217 0.983 1 1 459 . 1 1 1 A 38 38 LYS N N 61 131.900 129.670 2.230 1 1 460 . 1 1 1 A 39 39 ARG H H 62 7.990 7.821 0.169 1 1 461 . 1 1 1 A 39 39 ARG HA H 62 4.700 4.839 -0.139 1 1 469 . 1 1 1 A 39 39 ARG C C 62 173.600 174.728 -1.128 1 1 470 . 1 1 1 A 39 39 ARG CA C 62 55.100 55.434 -0.334 1 1 471 . 1 1 1 A 39 39 ARG CB C 62 34.100 33.944 0.156 1 1 474 . 1 1 1 A 39 39 ARG N N 62 117.300 118.811 -1.511 1 1 476 . 1 1 1 A 40 40 GLY H H 63 8.480 8.392 0.088 1 1 477 . 1 1 1 A 40 40 GLY HA2 H 63 4.290 4.146 0.144 1 1 478 . 1 1 1 A 40 40 GLY HA3 H 63 3.580 4.240 -0.660 1 1 479 . 1 1 1 A 40 40 GLY CA C 63 43.800 45.034 -1.234 1 1 480 . 1 1 1 A 40 40 GLY N N 63 110.800 112.189 -1.389 1 1 481 . 1 1 1 A 41 41 PRO HA H 64 4.300 4.392 -0.092 1 1 488 . 1 1 1 A 41 41 PRO C C 64 175.900 177.324 -1.424 1 1 489 . 1 1 1 A 41 41 PRO CA C 64 64.400 65.101 -0.701 1 1 490 . 1 1 1 A 41 41 PRO CB C 64 31.500 31.905 -0.405 1 1 493 . 1 1 1 A 42 42 ASN H H 65 8.310 8.381 -0.071 1 1 494 . 1 1 1 A 42 42 ASN HA H 65 4.770 4.937 -0.167 1 1 499 . 1 1 1 A 42 42 ASN C C 65 177.500 173.795 3.705 1 1 500 . 1 1 1 A 42 42 ASN CA C 65 52.100 52.030 0.070 1 1 501 . 1 1 1 A 42 42 ASN CB C 65 36.700 37.743 -1.043 1 1 503 . 1 1 1 A 42 42 ASN N N 65 114.500 115.412 -0.912 1 1 505 . 1 1 1 A 43 43 ALA H H 66 7.470 8.114 -0.644 1 1 506 . 1 1 1 A 43 43 ALA HA H 66 3.690 4.154 -0.464 1 1 510 . 1 1 1 A 43 43 ALA C C 66 177.800 178.382 -0.582 1 1 511 . 1 1 1 A 43 43 ALA CA C 66 54.200 53.624 0.576 1 1 512 . 1 1 1 A 43 43 ALA CB C 66 17.700 18.999 -1.299 1 1 513 . 1 1 1 A 43 43 ALA N N 66 122.100 125.442 -3.342 1 1 514 . 1 1 1 A 44 44 GLY H H 67 9.120 9.007 0.113 1 1 515 . 1 1 1 A 44 44 GLY HA2 H 67 4.440 4.012 0.428 1 1 516 . 1 1 1 A 44 44 GLY HA3 H 67 3.490 4.014 -0.524 1 1 517 . 1 1 1 A 44 44 GLY C C 67 174.900 174.618 0.282 1 1 518 . 1 1 1 A 44 44 GLY CA C 67 44.600 44.816 -0.216 1 1 519 . 1 1 1 A 44 44 GLY N N 67 111.800 110.798 1.002 1 1 520 . 1 1 1 A 45 45 SER H H 68 8.090 7.546 0.544 1 1 521 . 1 1 1 A 45 45 SER HA H 68 4.280 4.347 -0.067 1 1 524 . 1 1 1 A 45 45 SER C C 68 171.500 173.086 -1.586 1 1 525 . 1 1 1 A 45 45 SER CA C 68 60.500 59.309 1.191 1 1 526 . 1 1 1 A 45 45 SER CB C 68 63.800 63.840 -0.040 1 1 527 . 1 1 1 A 45 45 SER N N 68 117.400 118.158 -0.758 1 1 528 . 1 1 1 A 46 46 ARG H H 69 8.120 8.300 -0.180 1 1 529 . 1 1 1 A 46 46 ARG HA H 69 5.140 5.243 -0.103 1 1 537 . 1 1 1 A 46 46 ARG C C 69 174.600 174.380 0.220 1 1 538 . 1 1 1 A 46 46 ARG CA C 69 54.200 54.001 0.199 1 1 539 . 1 1 1 A 46 46 ARG CB C 69 33.900 34.175 -0.275 1 1 542 . 1 1 1 A 46 46 ARG N N 69 119.800 123.109 -3.309 1 1 544 . 1 1 1 A 47 47 PHE H H 70 9.180 8.541 0.639 1 1 545 . 1 1 1 A 47 47 PHE HA H 70 4.720 5.097 -0.377 1 1 553 . 1 1 1 A 47 47 PHE C C 70 173.900 174.038 -0.138 1 1 554 . 1 1 1 A 47 47 PHE CA C 70 56.400 56.285 0.115 1 1 555 . 1 1 1 A 47 47 PHE CB C 70 41.500 42.325 -0.825 1 1 561 . 1 1 1 A 47 47 PHE N N 70 120.800 121.305 -0.505 1 1 562 . 1 1 1 A 48 48 LEU H H 71 8.720 8.941 -0.221 1 1 563 . 1 1 1 A 48 48 LEU HA H 71 4.450 4.911 -0.461 1 1 573 . 1 1 1 A 48 48 LEU C C 71 176.300 174.638 1.662 1 1 574 . 1 1 1 A 48 48 LEU CA C 71 54.900 53.856 1.044 1 1 575 . 1 1 1 A 48 48 LEU CB C 71 43.200 44.167 -0.967 1 1 579 . 1 1 1 A 48 48 LEU N N 71 125.300 125.369 -0.069 1 1 580 . 1 1 1 A 49 49 LEU H H 72 8.730 8.946 -0.216 1 1 581 . 1 1 1 A 49 49 LEU HA H 72 4.770 4.867 -0.097 1 1 591 . 1 1 1 A 49 49 LEU C C 72 174.800 176.732 -1.932 1 1 592 . 1 1 1 A 49 49 LEU CA C 72 53.200 54.013 -0.813 1 1 593 . 1 1 1 A 49 49 LEU CB C 72 40.900 42.212 -1.312 1 1 597 . 1 1 1 A 49 49 LEU N N 72 126.900 128.423 -1.523 1 1 598 . 1 1 1 A 50 50 ASP H H 73 8.350 8.167 0.183 1 1 599 . 1 1 1 A 50 50 ASP HA H 73 4.790 4.805 -0.015 1 1 602 . 1 1 1 A 50 50 ASP C C 73 175.600 176.174 -0.574 1 1 603 . 1 1 1 A 50 50 ASP CA C 73 53.000 53.439 -0.439 1 1 604 . 1 1 1 A 50 50 ASP CB C 73 41.400 39.837 1.563 1 1 605 . 1 1 1 A 50 50 ASP N N 73 120.400 123.487 -3.087 1 1 606 . 1 1 1 A 51 51 GLN H H 74 7.670 8.535 -0.865 1 1 607 . 1 1 1 A 51 51 GLN HA H 74 4.660 4.183 0.477 1 1 614 . 1 1 1 A 51 51 GLN C C 74 175.400 175.222 0.178 1 1 615 . 1 1 1 A 51 51 GLN CA C 74 53.700 58.068 -4.368 1 1 616 . 1 1 1 A 51 51 GLN CB C 74 31.300 27.481 3.819 1 1 619 . 1 1 1 A 51 51 GLN N N 74 116.200 115.056 1.144 1 1 621 . 1 1 1 A 52 52 ALA H H 75 8.720 8.608 0.112 1 1 622 . 1 1 1 A 52 52 ALA HA H 75 4.170 3.920 0.250 1 1 626 . 1 1 1 A 52 52 ALA C C 75 178.300 176.042 2.258 1 1 627 . 1 1 1 A 52 52 ALA CA C 75 55.700 54.273 1.427 1 1 628 . 1 1 1 A 52 52 ALA CB C 75 18.500 17.793 0.707 1 1 629 . 1 1 1 A 52 52 ALA N N 75 123.200 120.963 2.237 1 1 630 . 1 1 1 A 53 53 ILE H H 76 8.030 8.448 -0.418 1 1 631 . 1 1 1 A 53 53 ILE HA H 76 4.650 4.990 -0.340 1 1 641 . 1 1 1 A 53 53 ILE C C 76 175.100 174.921 0.179 1 1 642 . 1 1 1 A 53 53 ILE CA C 76 61.100 60.551 0.549 1 1 643 . 1 1 1 A 53 53 ILE CB C 76 40.500 40.127 0.373 1 1 647 . 1 1 1 A 53 53 ILE N N 76 115.400 120.292 -4.892 1 1 648 . 1 1 1 A 54 54 THR H H 77 8.840 9.104 -0.264 1 1 649 . 1 1 1 A 54 54 THR HA H 77 4.940 5.027 -0.087 1 1 654 . 1 1 1 A 54 54 THR C C 77 174.600 174.960 -0.360 1 1 655 . 1 1 1 A 54 54 THR CA C 77 61.400 61.642 -0.242 1 1 656 . 1 1 1 A 54 54 THR CB C 77 70.300 70.514 -0.214 1 1 658 . 1 1 1 A 54 54 THR N N 77 125.300 124.949 0.351 1 1 659 . 1 1 1 A 55 55 SER H H 78 10.690 9.086 1.604 1 1 660 . 1 1 1 A 55 55 SER HA H 78 4.720 4.862 -0.142 1 1 663 . 1 1 1 A 55 55 SER C C 78 172.600 174.020 -1.420 1 1 664 . 1 1 1 A 55 55 SER CA C 78 57.800 57.833 -0.033 1 1 665 . 1 1 1 A 55 55 SER CB C 78 65.200 65.066 0.134 1 1 666 . 1 1 1 A 55 55 SER N N 78 126.300 121.994 4.306 1 1 667 . 1 1 1 A 56 56 ALA H H 79 8.840 8.142 0.698 1 1 668 . 1 1 1 A 56 56 ALA HA H 79 5.720 4.873 0.847 1 1 672 . 1 1 1 A 56 56 ALA C C 79 175.800 177.566 -1.766 1 1 673 . 1 1 1 A 56 56 ALA CA C 79 49.800 50.852 -1.052 1 1 674 . 1 1 1 A 56 56 ALA CB C 79 21.900 22.612 -0.712 1 1 675 . 1 1 1 A 56 56 ALA N N 79 123.200 122.396 0.804 1 1 676 . 1 1 1 A 57 57 GLY H H 80 8.410 8.675 -0.265 1 1 677 . 1 1 1 A 57 57 GLY HA2 H 80 4.400 3.810 0.590 1 1 678 . 1 1 1 A 57 57 GLY HA3 H 80 3.970 3.891 0.079 1 1 679 . 1 1 1 A 57 57 GLY C C 80 174.800 174.177 0.623 1 1 680 . 1 1 1 A 57 57 GLY CA C 80 46.300 44.902 1.398 1 1 681 . 1 1 1 A 57 57 GLY N N 80 108.700 110.296 -1.596 1 1 682 . 1 1 1 A 58 58 ARG H H 81 8.330 7.639 0.691 1 1 683 . 1 1 1 A 58 58 ARG HA H 81 4.440 4.212 0.228 1 1 690 . 1 1 1 A 58 58 ARG C C 81 176.400 175.908 0.492 1 1 691 . 1 1 1 A 58 58 ARG CA C 81 54.700 56.063 -1.363 1 1 692 . 1 1 1 A 58 58 ARG CB C 81 32.300 31.387 0.913 1 1 695 . 1 1 1 A 58 58 ARG N N 81 120.400 120.235 0.165 1 1 696 . 1 1 1 A 59 59 HIS H H 82 9.040 8.811 0.229 1 1 697 . 1 1 1 A 59 59 HIS HA H 82 4.280 4.916 -0.636 1 1 702 . 1 1 1 A 59 59 HIS CA C 82 56.800 59.220 -2.420 1 1 703 . 1 1 1 A 59 59 HIS CB C 82 30.900 30.521 0.379 1 1 705 . 1 1 1 A 59 59 HIS N N 82 124.300 121.526 2.774 1 1 708 . 1 1 1 A 60 60 PRO HA H 83 3.640 4.401 -0.761 1 1 715 . 1 1 1 A 60 60 PRO C C 83 177.000 175.714 1.286 1 1 716 . 1 1 1 A 60 60 PRO CA C 83 64.800 62.501 2.299 1 1 717 . 1 1 1 A 60 60 PRO CB C 83 31.700 33.104 -1.404 1 1 720 . 1 1 1 A 61 61 ASP H H 84 11.140 8.586 2.554 1 1 721 . 1 1 1 A 61 61 ASP HA H 84 4.700 4.793 -0.093 1 1 724 . 1 1 1 A 61 61 ASP C C 84 177.400 175.418 1.982 1 1 725 . 1 1 1 A 61 61 ASP CA C 84 53.900 53.589 0.311 1 1 726 . 1 1 1 A 61 61 ASP CB C 84 40.500 39.953 0.547 1 1 727 . 1 1 1 A 61 61 ASP N N 84 121.600 120.807 0.793 1 1 728 . 1 1 1 A 62 62 SER H H 85 8.190 8.632 -0.442 1 1 729 . 1 1 1 A 62 62 SER HA H 85 4.030 4.944 -0.914 1 1 733 . 1 1 1 A 62 62 SER C C 85 173.400 173.510 -0.110 1 1 734 . 1 1 1 A 62 62 SER CA C 85 60.400 57.769 2.631 1 1 735 . 1 1 1 A 62 62 SER CB C 85 65.200 66.506 -1.306 1 1 736 . 1 1 1 A 62 62 SER N N 85 118.100 119.733 -1.633 1 1 737 . 1 1 1 A 63 63 ASP H H 86 8.270 8.634 -0.364 1 1 738 . 1 1 1 A 63 63 ASP HA H 86 4.390 4.498 -0.108 1 1 741 . 1 1 1 A 63 63 ASP C C 86 177.200 177.426 -0.226 1 1 742 . 1 1 1 A 63 63 ASP CA C 86 58.300 57.739 0.561 1 1 743 . 1 1 1 A 63 63 ASP CB C 86 42.100 41.065 1.035 1 1 744 . 1 1 1 A 63 63 ASP N N 86 125.600 124.263 1.337 1 1 745 . 1 1 1 A 64 64 ILE H H 87 8.470 7.783 0.687 1 1 746 . 1 1 1 A 64 64 ILE HA H 87 3.560 3.792 -0.232 1 1 756 . 1 1 1 A 64 64 ILE C C 87 172.900 175.290 -2.390 1 1 757 . 1 1 1 A 64 64 ILE CA C 87 60.500 61.423 -0.923 1 1 758 . 1 1 1 A 64 64 ILE CB C 87 37.400 38.039 -0.639 1 1 762 . 1 1 1 A 64 64 ILE N N 87 119.500 119.478 0.022 1 1 763 . 1 1 1 A 65 65 PHE H H 88 8.100 8.981 -0.881 1 1 764 . 1 1 1 A 65 65 PHE HA H 88 5.010 5.068 -0.058 1 1 772 . 1 1 1 A 65 65 PHE C C 88 174.000 173.693 0.307 1 1 773 . 1 1 1 A 65 65 PHE CA C 88 55.600 56.157 -0.557 1 1 774 . 1 1 1 A 65 65 PHE CB C 88 38.800 40.400 -1.600 1 1 779 . 1 1 1 A 65 65 PHE N N 88 127.100 128.279 -1.179 1 1 780 . 1 1 1 A 66 66 LEU H H 89 7.710 8.614 -0.904 1 1 781 . 1 1 1 A 66 66 LEU HA H 89 3.620 4.502 -0.882 1 1 791 . 1 1 1 A 66 66 LEU C C 89 173.500 174.144 -0.644 1 1 792 . 1 1 1 A 66 66 LEU CA C 89 52.100 53.501 -1.401 1 1 793 . 1 1 1 A 66 66 LEU CB C 89 41.300 41.314 -0.014 1 1 797 . 1 1 1 A 66 66 LEU N N 89 131.900 129.201 2.699 1 1 798 . 1 1 1 A 67 67 ASP H H 90 7.980 8.557 -0.577 1 1 799 . 1 1 1 A 67 67 ASP HA H 90 4.260 4.660 -0.400 1 1 802 . 1 1 1 A 67 67 ASP C C 90 174.800 174.374 0.426 1 1 803 . 1 1 1 A 67 67 ASP CA C 90 53.100 53.041 0.059 1 1 804 . 1 1 1 A 67 67 ASP CB C 90 39.900 40.406 -0.506 1 1 805 . 1 1 1 A 67 67 ASP N N 90 120.000 125.726 -5.726 1 1 806 . 1 1 1 A 68 68 ASP H H 91 7.480 8.196 -0.716 1 1 807 . 1 1 1 A 68 68 ASP HA H 91 4.850 5.135 -0.285 1 1 810 . 1 1 1 A 68 68 ASP C C 91 175.600 176.233 -0.633 1 1 811 . 1 1 1 A 68 68 ASP CA C 91 54.900 52.686 2.214 1 1 812 . 1 1 1 A 68 68 ASP CB C 91 48.500 44.601 3.899 1 1 813 . 1 1 1 A 68 68 ASP N N 91 121.400 125.227 -3.827 1 1 814 . 1 1 1 A 69 69 VAL H H 92 8.370 8.431 -0.061 1 1 815 . 1 1 1 A 69 69 VAL HA H 92 4.060 3.849 0.211 1 1 823 . 1 1 1 A 69 69 VAL C C 92 175.900 176.042 -0.142 1 1 824 . 1 1 1 A 69 69 VAL CA C 92 64.800 65.368 -0.568 1 1 825 . 1 1 1 A 69 69 VAL CB C 92 31.700 31.799 -0.099 1 1 828 . 1 1 1 A 69 69 VAL N N 92 121.900 119.590 2.310 1 1 829 . 1 1 1 A 70 70 THR H H 93 8.360 7.911 0.449 1 1 830 . 1 1 1 A 70 70 THR HA H 93 4.060 4.249 -0.189 1 1 836 . 1 1 1 A 70 70 THR C C 93 175.100 174.676 0.424 1 1 837 . 1 1 1 A 70 70 THR CA C 93 63.700 62.069 1.631 1 1 838 . 1 1 1 A 70 70 THR CB C 93 70.300 70.611 -0.311 1 1 840 . 1 1 1 A 70 70 THR N N 93 111.100 117.428 -6.328 1 1 841 . 1 1 1 A 71 71 VAL H H 94 8.240 8.451 -0.211 1 1 842 . 1 1 1 A 71 71 VAL HA H 94 4.520 3.491 1.029 1 1 850 . 1 1 1 A 71 71 VAL C C 94 176.800 175.452 1.348 1 1 851 . 1 1 1 A 71 71 VAL CA C 94 61.200 62.167 -0.967 1 1 852 . 1 1 1 A 71 71 VAL CB C 94 33.500 30.629 2.871 1 1 855 . 1 1 1 A 71 71 VAL N N 94 125.500 120.797 4.703 1 1 856 . 1 1 1 A 72 72 SER H H 95 11.410 7.971 3.439 1 1 857 . 1 1 1 A 72 72 SER HA H 95 4.670 4.524 0.146 1 1 860 . 1 1 1 A 72 72 SER C C 95 174.500 175.763 -1.263 1 1 861 . 1 1 1 A 72 72 SER CA C 95 60.600 58.312 2.288 1 1 862 . 1 1 1 A 72 72 SER CB C 95 64.200 64.345 -0.145 1 1 863 . 1 1 1 A 72 72 SER N N 95 126.800 117.956 8.844 1 1 864 . 1 1 1 A 73 73 ARG H H 96 9.260 8.643 0.617 1 1 865 . 1 1 1 A 73 73 ARG HA H 96 3.770 4.000 -0.230 1 1 873 . 1 1 1 A 73 73 ARG C C 96 176.600 176.670 -0.070 1 1 874 . 1 1 1 A 73 73 ARG CA C 96 61.300 59.152 2.148 1 1 875 . 1 1 1 A 73 73 ARG CB C 96 29.800 30.482 -0.682 1 1 878 . 1 1 1 A 73 73 ARG N N 96 124.600 122.978 1.622 1 1 880 . 1 1 1 A 74 74 ARG H H 97 7.800 7.815 -0.015 1 1 881 . 1 1 1 A 74 74 ARG HA H 97 4.440 4.833 -0.393 1 1 889 . 1 1 1 A 74 74 ARG C C 97 173.100 176.733 -3.633 1 1 890 . 1 1 1 A 74 74 ARG CA C 97 54.800 55.259 -0.459 1 1 891 . 1 1 1 A 74 74 ARG CB C 97 29.300 30.957 -1.657 1 1 894 . 1 1 1 A 74 74 ARG N N 97 114.800 116.153 -1.353 1 1 896 . 1 1 1 A 75 75 HIS H H 98 7.840 7.731 0.109 1 1 897 . 1 1 1 A 75 75 HIS HA H 98 4.430 4.173 0.257 1 1 903 . 1 1 1 A 75 75 HIS C C 98 173.800 174.251 -0.451 1 1 904 . 1 1 1 A 75 75 HIS CA C 98 57.800 59.404 -1.604 1 1 905 . 1 1 1 A 75 75 HIS CB C 98 35.000 30.088 4.912 1 1 908 . 1 1 1 A 75 75 HIS N N 98 124.400 118.765 5.635 1 1 910 . 1 1 1 A 76 76 ALA H H 99 8.490 7.582 0.908 1 1 911 . 1 1 1 A 76 76 ALA HA H 99 5.580 4.499 1.081 1 1 915 . 1 1 1 A 76 76 ALA C C 99 176.500 174.890 1.610 1 1 916 . 1 1 1 A 76 76 ALA CA C 99 50.300 51.264 -0.964 1 1 917 . 1 1 1 A 76 76 ALA CB C 99 23.200 22.749 0.451 1 1 918 . 1 1 1 A 76 76 ALA N N 99 116.600 117.949 -1.349 1 1 919 . 1 1 1 A 77 77 GLU H H 100 9.030 8.335 0.695 1 1 920 . 1 1 1 A 77 77 GLU HA H 100 5.030 4.864 0.166 1 1 925 . 1 1 1 A 77 77 GLU C C 100 174.100 174.113 -0.013 1 1 926 . 1 1 1 A 77 77 GLU CA C 100 54.500 55.051 -0.551 1 1 927 . 1 1 1 A 77 77 GLU CB C 100 34.900 33.659 1.241 1 1 929 . 1 1 1 A 77 77 GLU N N 100 118.100 120.711 -2.611 1 1 930 . 1 1 1 A 78 78 PHE H H 101 9.400 8.537 0.863 1 1 931 . 1 1 1 A 78 78 PHE HA H 101 5.400 5.497 -0.097 1 1 939 . 1 1 1 A 78 78 PHE C C 101 176.500 174.389 2.111 1 1 940 . 1 1 1 A 78 78 PHE CA C 101 56.700 56.435 0.265 1 1 941 . 1 1 1 A 78 78 PHE CB C 101 41.000 42.175 -1.175 1 1 946 . 1 1 1 A 78 78 PHE N N 101 119.600 123.700 -4.100 1 1 947 . 1 1 1 A 79 79 ARG H H 102 9.720 8.716 1.004 1 1 948 . 1 1 1 A 79 79 ARG HA H 102 5.490 5.069 0.421 1 1 956 . 1 1 1 A 79 79 ARG C C 102 174.300 173.939 0.361 1 1 957 . 1 1 1 A 79 79 ARG CA C 102 54.800 54.317 0.483 1 1 958 . 1 1 1 A 79 79 ARG CB C 102 33.100 34.036 -0.936 1 1 961 . 1 1 1 A 79 79 ARG N N 102 126.100 122.435 3.665 1 1 963 . 1 1 1 A 80 80 LEU H H 103 9.020 8.667 0.353 1 1 964 . 1 1 1 A 80 80 LEU HA H 103 4.400 4.810 -0.410 1 1 974 . 1 1 1 A 80 80 LEU C C 103 176.100 175.268 0.832 1 1 975 . 1 1 1 A 80 80 LEU CA C 103 54.100 54.126 -0.026 1 1 976 . 1 1 1 A 80 80 LEU CB C 103 42.600 43.825 -1.225 1 1 980 . 1 1 1 A 80 80 LEU N N 103 128.000 128.108 -0.108 1 1 981 . 1 1 1 A 81 81 GLU H H 104 8.860 8.980 -0.120 1 1 982 . 1 1 1 A 81 81 GLU HA H 104 4.430 4.596 -0.166 1 1 987 . 1 1 1 A 81 81 GLU C C 104 175.800 175.942 -0.142 1 1 988 . 1 1 1 A 81 81 GLU CA C 104 55.500 55.883 -0.383 1 1 989 . 1 1 1 A 81 81 GLU CB C 104 32.600 32.775 -0.175 1 1 991 . 1 1 1 A 81 81 GLU N N 104 128.600 125.965 2.635 1 1 992 . 1 1 1 A 82 82 ASN H H 105 9.410 9.143 0.267 1 1 993 . 1 1 1 A 82 82 ASN HA H 105 4.200 4.445 -0.245 1 1 998 . 1 1 1 A 82 82 ASN C C 105 174.300 174.170 0.130 1 1 999 . 1 1 1 A 82 82 ASN CA C 105 54.700 53.884 0.816 1 1 1000 . 1 1 1 A 82 82 ASN CB C 105 37.200 36.152 1.048 1 1 1002 . 1 1 1 A 82 82 ASN N N 105 124.600 124.645 -0.045 1 1 1004 . 1 1 1 A 83 83 ASN H H 106 8.640 8.458 0.182 1 1 1005 . 1 1 1 A 83 83 ASN HA H 106 4.010 4.187 -0.177 1 1 1010 . 1 1 1 A 83 83 ASN C C 106 173.100 173.685 -0.585 1 1 1011 . 1 1 1 A 83 83 ASN CA C 106 54.900 54.626 0.274 1 1 1012 . 1 1 1 A 83 83 ASN CB C 106 38.100 37.051 1.049 1 1 1014 . 1 1 1 A 83 83 ASN N N 106 108.900 110.238 -1.338 1 1 1016 . 1 1 1 A 84 84 GLU H H 107 7.660 7.916 -0.256 1 1 1017 . 1 1 1 A 84 84 GLU HA H 107 4.660 4.796 -0.136 1 1 1022 . 1 1 1 A 84 84 GLU C C 107 174.300 175.137 -0.837 1 1 1023 . 1 1 1 A 84 84 GLU CA C 107 54.700 54.795 -0.095 1 1 1024 . 1 1 1 A 84 84 GLU CB C 107 32.900 32.853 0.047 1 1 1026 . 1 1 1 A 84 84 GLU N N 107 118.300 117.142 1.158 1 1 1027 . 1 1 1 A 85 85 PHE H H 108 9.690 8.850 0.840 1 1 1028 . 1 1 1 A 85 85 PHE HA H 108 5.000 4.713 0.287 1 1 1035 . 1 1 1 A 85 85 PHE C C 108 174.500 175.781 -1.281 1 1 1036 . 1 1 1 A 85 85 PHE CA C 108 58.600 58.923 -0.323 1 1 1037 . 1 1 1 A 85 85 PHE CB C 108 41.800 40.163 1.637 1 1 1042 . 1 1 1 A 85 85 PHE N N 108 121.100 122.011 -0.911 1 1 1043 . 1 1 1 A 86 86 ASN H H 109 9.180 8.726 0.454 1 1 1044 . 1 1 1 A 86 86 ASN HA H 109 5.580 5.298 0.282 1 1 1049 . 1 1 1 A 86 86 ASN C C 109 175.000 173.325 1.675 1 1 1050 . 1 1 1 A 86 86 ASN CA C 109 51.200 52.038 -0.838 1 1 1051 . 1 1 1 A 86 86 ASN CB C 109 42.100 43.005 -0.905 1 1 1053 . 1 1 1 A 86 86 ASN N N 109 119.400 118.821 0.579 1 1 1055 . 1 1 1 A 87 87 VAL H H 110 9.060 8.737 0.323 1 1 1056 . 1 1 1 A 87 87 VAL HA H 110 4.940 4.856 0.084 1 1 1064 . 1 1 1 A 87 87 VAL C C 110 171.700 173.607 -1.907 1 1 1065 . 1 1 1 A 87 87 VAL CA C 110 58.400 59.891 -1.491 1 1 1066 . 1 1 1 A 87 87 VAL CB C 110 33.800 34.601 -0.801 1 1 1069 . 1 1 1 A 87 87 VAL N N 110 121.300 120.231 1.069 1 1 1070 . 1 1 1 A 88 88 VAL H H 111 8.640 9.163 -0.523 1 1 1071 . 1 1 1 A 88 88 VAL HA H 111 4.590 4.607 -0.017 1 1 1079 . 1 1 1 A 88 88 VAL C C 111 175.700 173.665 2.035 1 1 1080 . 1 1 1 A 88 88 VAL CA C 111 60.100 60.575 -0.475 1 1 1081 . 1 1 1 A 88 88 VAL CB C 111 36.200 34.608 1.592 1 1 1084 . 1 1 1 A 88 88 VAL N N 111 125.500 128.166 -2.666 1 1 1085 . 1 1 1 A 89 89 ASP H H 112 8.480 8.333 0.147 1 1 1086 . 1 1 1 A 89 89 ASP HA H 112 4.870 4.613 0.257 1 1 1089 . 1 1 1 A 89 89 ASP C C 112 177.200 176.884 0.316 1 1 1090 . 1 1 1 A 89 89 ASP CA C 112 54.700 52.756 1.944 1 1 1091 . 1 1 1 A 89 89 ASP CB C 112 43.600 41.356 2.244 1 1 1092 . 1 1 1 A 89 89 ASP N N 112 126.600 126.918 -0.318 1 1 1093 . 1 1 1 A 90 90 VAL H H 113 7.980 8.466 -0.486 1 1 1094 . 1 1 1 A 90 90 VAL HA H 113 4.540 4.216 0.324 1 1 1102 . 1 1 1 A 90 90 VAL C C 113 174.400 176.625 -2.225 1 1 1103 . 1 1 1 A 90 90 VAL CA C 113 60.300 61.997 -1.697 1 1 1104 . 1 1 1 A 90 90 VAL CB C 113 29.500 32.024 -2.524 1 1 1107 . 1 1 1 A 90 90 VAL N N 113 119.700 120.257 -0.557 1 1 1108 . 1 1 1 A 91 91 GLY H H 114 8.600 8.106 0.494 1 1 1109 . 1 1 1 A 91 91 GLY HA2 H 114 4.260 3.838 0.422 1 1 1110 . 1 1 1 A 91 91 GLY HA3 H 114 3.720 3.903 -0.183 1 1 1111 . 1 1 1 A 91 91 GLY C C 114 175.300 173.029 2.271 1 1 1112 . 1 1 1 A 91 91 GLY CA C 114 45.700 45.260 0.440 1 1 1113 . 1 1 1 A 91 91 GLY N N 114 111.300 111.528 -0.228 1 1 1114 . 1 1 1 A 92 92 SER H H 115 9.190 8.781 0.409 1 1 1115 . 1 1 1 A 92 92 SER HA H 115 3.890 4.374 -0.484 1 1 1118 . 1 1 1 A 92 92 SER C C 115 174.500 175.144 -0.644 1 1 1119 . 1 1 1 A 92 92 SER CA C 115 58.600 58.934 -0.334 1 1 1120 . 1 1 1 A 92 92 SER CB C 115 61.300 63.367 -2.067 1 1 1121 . 1 1 1 A 92 92 SER N N 115 121.000 115.913 5.087 1 1 1122 . 1 1 1 A 93 93 LEU H H 116 7.720 8.846 -1.126 1 1 1123 . 1 1 1 A 93 93 LEU HA H 116 4.250 3.961 0.289 1 1 1133 . 1 1 1 A 93 93 LEU C C 116 179.100 176.021 3.079 1 1 1134 . 1 1 1 A 93 93 LEU CA C 116 57.200 57.087 0.113 1 1 1135 . 1 1 1 A 93 93 LEU CB C 116 42.100 41.008 1.092 1 1 1139 . 1 1 1 A 93 93 LEU N N 116 120.500 120.264 0.236 1 1 1140 . 1 1 1 A 94 94 ASN H H 117 8.450 8.328 0.122 1 1 1141 . 1 1 1 A 94 94 ASN HA H 117 4.870 4.770 0.100 1 1 1146 . 1 1 1 A 94 94 ASN C C 117 175.800 175.184 0.616 1 1 1147 . 1 1 1 A 94 94 ASN CA C 117 54.000 52.889 1.111 1 1 1148 . 1 1 1 A 94 94 ASN CB C 117 40.100 39.640 0.460 1 1 1150 . 1 1 1 A 94 94 ASN N N 117 112.500 118.345 -5.845 1 1 1152 . 1 1 1 A 95 95 GLY H H 118 7.940 8.314 -0.374 1 1 1153 . 1 1 1 A 95 95 GLY HA2 H 118 4.190 4.098 0.092 1 1 1154 . 1 1 1 A 95 95 GLY HA3 H 118 3.610 4.212 -0.602 1 1 1155 . 1 1 1 A 95 95 GLY C C 118 174.000 172.019 1.981 1 1 1156 . 1 1 1 A 95 95 GLY CA C 118 44.300 45.866 -1.566 1 1 1157 . 1 1 1 A 95 95 GLY N N 118 109.800 106.853 2.947 1 1 1158 . 1 1 1 A 96 96 THR H H 119 8.940 8.430 0.510 1 1 1159 . 1 1 1 A 96 96 THR HA H 119 3.820 4.331 -0.511 1 1 1165 . 1 1 1 A 96 96 THR C C 119 172.300 173.900 -1.600 1 1 1166 . 1 1 1 A 96 96 THR CA C 119 64.100 63.019 1.081 1 1 1167 . 1 1 1 A 96 96 THR CB C 119 70.200 69.311 0.889 1 1 1169 . 1 1 1 A 96 96 THR N N 119 122.000 117.667 4.333 1 1 1170 . 1 1 1 A 97 97 TYR H H 120 8.220 8.234 -0.014 1 1 1171 . 1 1 1 A 97 97 TYR HA H 120 5.340 5.575 -0.235 1 1 1178 . 1 1 1 A 97 97 TYR C C 120 175.900 172.377 3.523 1 1 1179 . 1 1 1 A 97 97 TYR CA C 120 55.600 55.774 -0.174 1 1 1180 . 1 1 1 A 97 97 TYR CB C 120 41.400 41.961 -0.561 1 1 1185 . 1 1 1 A 97 97 TYR N N 120 122.800 122.795 0.005 1 1 1186 . 1 1 1 A 98 98 VAL H H 121 9.040 8.679 0.361 1 1 1187 . 1 1 1 A 98 98 VAL HA H 121 5.010 4.775 0.235 1 1 1195 . 1 1 1 A 98 98 VAL C C 121 176.900 175.236 1.664 1 1 1196 . 1 1 1 A 98 98 VAL CA C 121 61.100 59.754 1.346 1 1 1197 . 1 1 1 A 98 98 VAL CB C 121 33.000 34.579 -1.579 1 1 1200 . 1 1 1 A 98 98 VAL N N 121 121.400 121.260 0.140 1 1 1201 . 1 1 1 A 99 99 ASN H H 122 10.100 9.581 0.519 1 1 1202 . 1 1 1 A 99 99 ASN HA H 122 4.440 4.507 -0.067 1 1 1207 . 1 1 1 A 99 99 ASN C C 122 174.500 175.412 -0.912 1 1 1208 . 1 1 1 A 99 99 ASN CA C 122 55.000 54.752 0.248 1 1 1209 . 1 1 1 A 99 99 ASN CB C 122 37.000 36.914 0.086 1 1 1211 . 1 1 1 A 99 99 ASN N N 122 129.400 127.950 1.450 1 1 1213 . 1 1 1 A 100 100 ARG H H 123 9.290 8.376 0.914 1 1 1214 . 1 1 1 A 100 100 ARG HA H 123 3.680 3.741 -0.061 1 1 1222 . 1 1 1 A 100 100 ARG C C 123 175.200 174.723 0.477 1 1 1223 . 1 1 1 A 100 100 ARG CA C 123 58.100 57.097 1.003 1 1 1224 . 1 1 1 A 100 100 ARG CB C 123 27.600 28.921 -1.321 1 1 1227 . 1 1 1 A 100 100 ARG N N 123 106.100 117.890 -11.790 1 1 1229 . 1 1 1 A 101 101 GLU H H 124 7.970 7.871 0.099 1 1 1230 . 1 1 1 A 101 101 GLU HA H 124 5.110 4.753 0.357 1 1 1235 . 1 1 1 A 101 101 GLU CA C 124 53.000 52.978 0.022 1 1 1236 . 1 1 1 A 101 101 GLU CB C 124 30.900 32.507 -1.607 1 1 1238 . 1 1 1 A 101 101 GLU N N 124 121.300 118.031 3.269 1 1 1239 . 1 1 1 A 102 102 PRO HA H 125 4.050 4.936 -0.886 1 1 1246 . 1 1 1 A 102 102 PRO C C 125 177.500 176.510 0.990 1 1 1247 . 1 1 1 A 102 102 PRO CA C 125 62.300 62.575 -0.275 1 1 1248 . 1 1 1 A 102 102 PRO CB C 125 31.300 31.815 -0.515 1 1 1251 . 1 1 1 A 103 103 VAL H H 126 8.330 8.283 0.047 1 1 1252 . 1 1 1 A 103 103 VAL HA H 126 4.700 4.863 -0.163 1 1 1260 . 1 1 1 A 103 103 VAL C C 126 174.500 175.789 -1.289 1 1 1261 . 1 1 1 A 103 103 VAL CA C 126 58.900 59.416 -0.516 1 1 1262 . 1 1 1 A 103 103 VAL CB C 126 35.300 35.471 -0.171 1 1 1265 . 1 1 1 A 103 103 VAL N N 126 115.000 117.732 -2.732 1 1 1266 . 1 1 1 A 104 104 ASP H H 127 8.520 8.635 -0.115 1 1 1267 . 1 1 1 A 104 104 ASP HA H 127 4.780 4.417 0.363 1 1 1270 . 1 1 1 A 104 104 ASP C C 127 176.200 176.112 0.088 1 1 1271 . 1 1 1 A 104 104 ASP CA C 127 55.800 57.172 -1.372 1 1 1272 . 1 1 1 A 104 104 ASP CB C 127 41.100 41.888 -0.788 1 1 1273 . 1 1 1 A 104 104 ASP N N 127 120.800 123.296 -2.496 1 1 1274 . 1 1 1 A 105 105 SER H H 128 7.650 7.646 0.004 1 1 1275 . 1 1 1 A 105 105 SER HA H 128 5.440 4.736 0.704 1 1 1278 . 1 1 1 A 105 105 SER C C 128 173.400 172.191 1.209 1 1 1279 . 1 1 1 A 105 105 SER CA C 128 56.600 57.424 -0.824 1 1 1280 . 1 1 1 A 105 105 SER CB C 128 65.000 64.978 0.022 1 1 1281 . 1 1 1 A 105 105 SER N N 128 111.500 110.140 1.360 1 1 1282 . 1 1 1 A 106 106 ALA H H 129 8.790 8.017 0.773 1 1 1283 . 1 1 1 A 106 106 ALA HA H 129 4.610 5.013 -0.403 1 1 1287 . 1 1 1 A 106 106 ALA C C 129 175.300 176.279 -0.979 1 1 1288 . 1 1 1 A 106 106 ALA CA C 129 52.100 51.197 0.903 1 1 1289 . 1 1 1 A 106 106 ALA CB C 129 22.600 23.488 -0.888 1 1 1290 . 1 1 1 A 106 106 ALA N N 129 125.100 124.135 0.965 1 1 1291 . 1 1 1 A 107 107 VAL H H 130 8.340 8.717 -0.377 1 1 1292 . 1 1 1 A 107 107 VAL HA H 130 4.160 4.669 -0.509 1 1 1300 . 1 1 1 A 107 107 VAL C C 130 176.300 175.868 0.432 1 1 1301 . 1 1 1 A 107 107 VAL CA C 130 62.600 61.740 0.860 1 1 1302 . 1 1 1 A 107 107 VAL CB C 130 32.000 32.468 -0.468 1 1 1305 . 1 1 1 A 107 107 VAL N N 130 122.800 118.996 3.804 1 1 1306 . 1 1 1 A 108 108 LEU H H 131 8.490 8.522 -0.032 1 1 1307 . 1 1 1 A 108 108 LEU HA H 131 4.370 4.334 0.036 1 1 1317 . 1 1 1 A 108 108 LEU C C 131 175.200 175.810 -0.610 1 1 1318 . 1 1 1 A 108 108 LEU CA C 131 54.200 54.350 -0.150 1 1 1319 . 1 1 1 A 108 108 LEU CB C 131 43.000 41.996 1.004 1 1 1323 . 1 1 1 A 108 108 LEU N N 131 128.900 128.153 0.747 1 1 1324 . 1 1 1 A 109 109 ALA H H 132 9.130 8.978 0.152 1 1 1325 . 1 1 1 A 109 109 ALA HA H 132 4.750 4.968 -0.218 1 1 1329 . 1 1 1 A 109 109 ALA C C 132 176.500 175.821 0.679 1 1 1330 . 1 1 1 A 109 109 ALA CA C 132 49.700 50.975 -1.275 1 1 1331 . 1 1 1 A 109 109 ALA CB C 132 22.400 23.286 -0.886 1 1 1332 . 1 1 1 A 109 109 ALA N N 132 126.000 121.673 4.327 1 1 1333 . 1 1 1 A 110 110 ASN H H 133 8.860 8.813 0.047 1 1 1334 . 1 1 1 A 110 110 ASN HA H 133 4.430 4.360 0.070 1 1 1339 . 1 1 1 A 110 110 ASN C C 133 176.400 176.507 -0.107 1 1 1340 . 1 1 1 A 110 110 ASN CA C 133 56.400 54.990 1.410 1 1 1341 . 1 1 1 A 110 110 ASN CB C 133 39.800 38.099 1.701 1 1 1343 . 1 1 1 A 110 110 ASN N N 133 117.600 120.443 -2.843 1 1 1345 . 1 1 1 A 111 111 GLY H H 134 10.100 8.764 1.336 1 1 1346 . 1 1 1 A 111 111 GLY HA2 H 134 4.430 3.909 0.521 1 1 1347 . 1 1 1 A 111 111 GLY HA3 H 134 3.410 3.929 -0.519 1 1 1348 . 1 1 1 A 111 111 GLY C C 134 174.800 173.977 0.823 1 1 1349 . 1 1 1 A 111 111 GLY CA C 134 45.100 45.637 -0.537 1 1 1350 . 1 1 1 A 111 111 GLY N N 134 117.200 113.780 3.420 1 1 1351 . 1 1 1 A 112 112 ASP H H 135 8.640 7.856 0.784 1 1 1352 . 1 1 1 A 112 112 ASP HA H 135 4.430 4.951 -0.521 1 1 1355 . 1 1 1 A 112 112 ASP C C 135 174.700 174.719 -0.019 1 1 1356 . 1 1 1 A 112 112 ASP CA C 135 56.200 53.743 2.457 1 1 1357 . 1 1 1 A 112 112 ASP CB C 135 42.100 42.392 -0.292 1 1 1358 . 1 1 1 A 112 112 ASP N N 135 122.900 120.841 2.059 1 1 1359 . 1 1 1 A 113 113 GLU H H 136 8.360 8.837 -0.477 1 1 1360 . 1 1 1 A 113 113 GLU HA H 136 5.220 5.096 0.124 1 1 1365 . 1 1 1 A 113 113 GLU C C 136 176.000 175.088 0.912 1 1 1366 . 1 1 1 A 113 113 GLU CA C 136 54.400 55.100 -0.700 1 1 1367 . 1 1 1 A 113 113 GLU CB C 136 32.900 32.878 0.022 1 1 1369 . 1 1 1 A 113 113 GLU N N 136 119.000 122.668 -3.668 1 1 1370 . 1 1 1 A 114 114 VAL H H 137 9.800 8.958 0.842 1 1 1371 . 1 1 1 A 114 114 VAL HA H 137 5.160 4.868 0.292 1 1 1379 . 1 1 1 A 114 114 VAL C C 137 174.400 174.283 0.117 1 1 1380 . 1 1 1 A 114 114 VAL CA C 137 60.400 60.892 -0.492 1 1 1381 . 1 1 1 A 114 114 VAL CB C 137 34.300 34.656 -0.356 1 1 1384 . 1 1 1 A 114 114 VAL N N 137 129.000 125.987 3.013 1 1 1385 . 1 1 1 A 115 115 GLN H H 138 9.610 8.944 0.666 1 1 1386 . 1 1 1 A 115 115 GLN HA H 138 5.430 5.067 0.363 1 1 1393 . 1 1 1 A 115 115 GLN C C 138 174.800 174.257 0.543 1 1 1394 . 1 1 1 A 115 115 GLN CA C 138 54.500 54.018 0.482 1 1 1395 . 1 1 1 A 115 115 GLN CB C 138 30.700 31.786 -1.086 1 1 1398 . 1 1 1 A 115 115 GLN N N 138 129.300 127.446 1.854 1 1 1399 . 1 1 1 A 116 116 ILE H H 139 8.400 8.457 -0.057 1 1 1400 . 1 1 1 A 116 116 ILE HA H 139 4.020 4.496 -0.476 1 1 1410 . 1 1 1 A 116 116 ILE C C 139 174.500 176.290 -1.790 1 1 1411 . 1 1 1 A 116 116 ILE CA C 139 60.600 59.988 0.612 1 1 1412 . 1 1 1 A 116 116 ILE CB C 139 40.900 40.226 0.674 1 1 1416 . 1 1 1 A 116 116 ILE N N 139 128.300 127.083 1.217 1 1 1417 . 1 1 1 A 117 117 GLY H H 140 9.650 8.672 0.978 1 1 1418 . 1 1 1 A 117 117 GLY HA2 H 140 3.820 3.793 0.027 1 1 1419 . 1 1 1 A 117 117 GLY HA3 H 140 3.630 3.799 -0.169 1 1 1420 . 1 1 1 A 117 117 GLY C C 140 175.400 174.846 0.554 1 1 1421 . 1 1 1 A 117 117 GLY CA C 140 46.500 46.900 -0.400 1 1 1422 . 1 1 1 A 117 117 GLY N N 140 116.800 115.486 1.314 1 1 1423 . 1 1 1 A 118 118 LYS H H 141 7.960 8.656 -0.696 1 1 1424 . 1 1 1 A 118 118 LYS HA H 141 4.070 4.324 -0.254 1 1 1433 . 1 1 1 A 118 118 LYS C C 141 175.600 175.843 -0.243 1 1 1434 . 1 1 1 A 118 118 LYS CA C 141 56.700 56.140 0.560 1 1 1435 . 1 1 1 A 118 118 LYS CB C 141 32.600 32.886 -0.286 1 1 1439 . 1 1 1 A 118 118 LYS N N 141 122.400 126.017 -3.617 1 1 1440 . 1 1 1 A 119 119 PHE H H 142 8.260 7.687 0.573 1 1 1441 . 1 1 1 A 119 119 PHE HA H 142 4.540 4.902 -0.362 1 1 1449 . 1 1 1 A 119 119 PHE C C 142 174.700 174.705 -0.005 1 1 1450 . 1 1 1 A 119 119 PHE CA C 142 58.200 57.239 0.961 1 1 1451 . 1 1 1 A 119 119 PHE CB C 142 39.900 41.216 -1.316 1 1 1456 . 1 1 1 A 119 119 PHE N N 142 119.500 119.353 0.147 1 1 1457 . 1 1 1 A 120 120 ARG H H 143 8.690 8.431 0.259 1 1 1458 . 1 1 1 A 120 120 ARG HA H 143 5.020 5.133 -0.113 1 1 1465 . 1 1 1 A 120 120 ARG C C 143 174.800 175.021 -0.221 1 1 1466 . 1 1 1 A 120 120 ARG CA C 143 55.100 54.693 0.407 1 1 1467 . 1 1 1 A 120 120 ARG CB C 143 32.800 33.543 -0.743 1 1 1470 . 1 1 1 A 120 120 ARG N N 143 121.500 122.689 -1.189 1 1 1471 . 1 1 1 A 121 121 LEU H H 144 9.760 9.162 0.598 1 1 1472 . 1 1 1 A 121 121 LEU HA H 144 5.420 5.288 0.132 1 1 1482 . 1 1 1 A 121 121 LEU C C 144 175.000 175.388 -0.388 1 1 1483 . 1 1 1 A 121 121 LEU CA C 144 53.900 53.403 0.497 1 1 1484 . 1 1 1 A 121 121 LEU CB C 144 44.900 45.778 -0.878 1 1 1488 . 1 1 1 A 121 121 LEU N N 144 126.400 127.179 -0.779 1 1 1489 . 1 1 1 A 122 122 VAL H H 145 9.370 8.926 0.444 1 1 1490 . 1 1 1 A 122 122 VAL HA H 145 5.010 5.052 -0.042 1 1 1498 . 1 1 1 A 122 122 VAL C C 145 173.700 173.668 0.032 1 1 1499 . 1 1 1 A 122 122 VAL CA C 145 60.800 59.452 1.348 1 1 1500 . 1 1 1 A 122 122 VAL CB C 145 34.300 34.588 -0.288 1 1 1503 . 1 1 1 A 122 122 VAL N N 145 121.900 121.674 0.226 1 1 1504 . 1 1 1 A 123 123 PHE H H 146 8.830 8.962 -0.132 1 1 1505 . 1 1 1 A 123 123 PHE HA H 146 4.980 4.733 0.247 1 1 1513 . 1 1 1 A 123 123 PHE C C 146 172.700 174.017 -1.317 1 1 1514 . 1 1 1 A 123 123 PHE CA C 146 57.100 56.714 0.386 1 1 1515 . 1 1 1 A 123 123 PHE CB C 146 41.100 39.937 1.163 1 1 1521 . 1 1 1 A 123 123 PHE N N 146 128.700 130.319 -1.619 1 1 1522 . 1 1 1 A 124 124 LEU H H 147 8.650 8.261 0.389 1 1 1523 . 1 1 1 A 124 124 LEU HA H 147 5.020 4.840 0.180 1 1 1533 . 1 1 1 A 124 124 LEU C C 147 175.300 175.628 -0.328 1 1 1534 . 1 1 1 A 124 124 LEU CA C 147 52.600 53.115 -0.515 1 1 1535 . 1 1 1 A 124 124 LEU CB C 147 45.600 45.540 0.060 1 1 1539 . 1 1 1 A 124 124 LEU N N 147 128.000 128.501 -0.501 1 1 1540 . 1 1 1 A 125 125 THR H H 148 8.300 9.121 -0.821 1 1 1541 . 1 1 1 A 125 125 THR HA H 148 4.330 4.947 -0.617 1 1 1546 . 1 1 1 A 125 125 THR C C 148 173.900 173.152 0.748 1 1 1547 . 1 1 1 A 125 125 THR CA C 148 60.200 59.479 0.721 1 1 1548 . 1 1 1 A 125 125 THR CB C 148 70.300 71.863 -1.563 1 1 1550 . 1 1 1 A 125 125 THR N N 148 110.600 112.973 -2.373 1 1 1551 . 1 1 1 A 126 126 GLY H H 149 8.310 8.556 -0.246 1 1 1552 . 1 1 1 A 126 126 GLY HA2 H 149 3.840 3.886 -0.046 1 1 1553 . 1 1 1 A 126 126 GLY HA3 H 149 3.840 3.957 -0.117 1 1 1554 . 1 1 1 A 126 126 GLY CA C 149 45.200 45.938 -0.738 1 1 1555 . 1 1 1 A 126 126 GLY N N 149 109.800 108.736 1.064 1 1 1556 . 1 1 1 A 127 127 HIS H H 150 8.310 8.228 0.082 1 1 1557 . 1 1 1 A 127 127 HIS HA H 150 4.630 4.819 -0.189 1 1 1562 . 1 1 1 A 127 127 HIS C C 150 174.800 176.324 -1.524 1 1 1563 . 1 1 1 A 127 127 HIS CA C 150 55.900 55.751 0.149 1 1 1564 . 1 1 1 A 127 127 HIS CB C 150 30.700 31.883 -1.183 1 1 1567 . 1 1 1 A 127 127 HIS N N 150 119.300 123.166 -3.866 1 1 1570 . 1 1 1 A 128 128 LYS H H 151 8.490 8.994 -0.504 1 1 1571 . 1 1 1 A 128 128 LYS HA H 151 4.300 4.246 0.054 1 1 1580 . 1 1 1 A 128 128 LYS C C 151 176.200 175.480 0.720 1 1 1581 . 1 1 1 A 128 128 LYS CA C 151 56.100 56.119 -0.019 1 1 1582 . 1 1 1 A 128 128 LYS CB C 151 33.200 32.849 0.351 1 1 1586 . 1 1 1 A 128 128 LYS N N 151 123.800 119.537 4.263 1 1 1587 . 1 1 1 A 129 129 GLN H H 152 8.640 7.854 0.786 1 1 1588 . 1 1 1 A 129 129 GLN HA H 152 4.270 3.720 0.550 1 1 1595 . 1 1 1 A 129 129 GLN C C 152 176.500 175.426 1.074 1 1 1596 . 1 1 1 A 129 129 GLN CA C 152 56.400 56.890 -0.490 1 1 1597 . 1 1 1 A 129 129 GLN CB C 152 29.500 26.201 3.299 1 1 1600 . 1 1 1 A 129 129 GLN N N 152 122.900 115.434 7.466 1 1 1602 . 1 1 1 A 130 130 GLY H H 153 8.640 8.024 0.616 1 1 1603 . 1 1 1 A 130 130 GLY HA2 H 153 3.990 3.988 0.002 1 1 1604 . 1 1 1 A 130 130 GLY HA3 H 153 3.910 4.000 -0.090 1 1 1605 . 1 1 1 A 130 130 GLY C C 153 174.100 173.880 0.220 1 1 1606 . 1 1 1 A 130 130 GLY CA C 153 45.400 44.350 1.050 1 1 1607 . 1 1 1 A 130 130 GLY N N 153 111.100 107.534 3.566 1 1 1608 . 1 1 1 A 131 131 GLU H H 154 8.220 8.586 -0.366 1 1 1609 . 1 1 1 A 131 131 GLU HA H 154 4.260 4.160 0.100 1 1 1614 . 1 1 1 A 131 131 GLU C C 154 176.100 177.510 -1.410 1 1 1615 . 1 1 1 A 131 131 GLU CA C 154 56.600 57.209 -0.609 1 1 1616 . 1 1 1 A 131 131 GLU CB C 154 30.600 29.988 0.612 1 1 1618 . 1 1 1 A 131 131 GLU N N 154 120.500 122.668 -2.168 1 1 1619 . 1 1 1 A 132 132 ASP H H 155 8.530 8.833 -0.303 1 1 1620 . 1 1 1 A 132 132 ASP HA H 155 4.560 4.738 -0.178 1 1 1623 . 1 1 1 A 132 132 ASP C C 155 176.300 176.343 -0.043 1 1 1624 . 1 1 1 A 132 132 ASP CA C 155 54.300 53.555 0.745 1 1 1625 . 1 1 1 A 132 132 ASP CB C 155 41.000 40.565 0.435 1 1 1626 . 1 1 1 A 132 132 ASP N N 155 121.300 121.041 0.259 1 1 1627 . 1 1 1 A 133 133 LEU H H 156 8.230 7.441 0.789 1 1 1628 . 1 1 1 A 133 133 LEU HA H 156 4.200 4.149 0.051 1 1 1638 . 1 1 1 A 133 133 LEU C C 156 177.700 176.460 1.240 1 1 1639 . 1 1 1 A 133 133 LEU CA C 156 55.500 55.517 -0.017 1 1 1640 . 1 1 1 A 133 133 LEU CB C 156 42.100 42.257 -0.157 1 1 1644 . 1 1 1 A 133 133 LEU N N 156 122.500 122.309 0.191 1 1 1645 . 1 1 1 A 134 134 GLU H H 157 8.270 9.164 -0.894 1 1 1646 . 1 1 1 A 134 134 GLU HA H 157 4.100 4.656 -0.556 1 1 1651 . 1 1 1 A 134 134 GLU C C 157 177.300 176.784 0.516 1 1 1652 . 1 1 1 A 134 134 GLU CA C 157 56.900 57.087 -0.187 1 1 1653 . 1 1 1 A 134 134 GLU CB C 157 30.000 31.779 -1.779 1 1 1655 . 1 1 1 A 134 134 GLU N N 157 119.800 123.780 -3.980 1 1 1656 . 1 1 1 A 135 135 HIS H H 158 8.150 8.646 -0.496 1 1 1657 . 1 1 1 A 135 135 HIS HA H 158 4.530 5.315 -0.785 1 1 1662 . 1 1 1 A 135 135 HIS CA C 158 56.100 54.470 1.630 1 1 1663 . 1 1 1 A 135 135 HIS CB C 158 30.000 32.379 -2.379 1 1 1664 . 1 1 1 A 135 135 HIS N N 158 118.500 113.134 5.366 1 1 1665 . 1 1 1 A 139 139 HIS HA H 162 4.590 4.595 -0.005 1 1 1668 . 1 1 1 A 139 139 HIS C C 162 173.900 174.301 -0.401 1 1 1669 . 1 1 1 A 139 139 HIS CA C 162 55.900 55.124 0.776 1 1 1670 . 1 1 1 A 139 139 HIS CB C 162 30.100 33.072 -2.972 1 1 15 . 2 1 1 A 2 2 PHE H H 25 8.640 8.970 -0.330 1 1 16 . 2 1 1 A 2 2 PHE HA H 25 4.630 4.340 0.290 1 1 24 . 2 1 1 A 2 2 PHE C C 25 175.000 174.274 0.726 1 1 25 . 2 1 1 A 2 2 PHE CA C 25 58.000 60.285 -2.285 1 1 26 . 2 1 1 A 2 2 PHE CB C 25 39.700 38.859 0.841 1 1 31 . 2 1 1 A 3 3 ARG H H 26 8.210 8.604 -0.394 1 1 32 . 2 1 1 A 3 3 ARG HA H 26 4.200 4.352 -0.152 1 1 40 . 2 1 1 A 3 3 ARG C C 26 175.100 175.300 -0.200 1 1 41 . 2 1 1 A 3 3 ARG CA C 26 55.600 55.541 0.059 1 1 42 . 2 1 1 A 3 3 ARG CB C 26 31.300 32.311 -1.011 1 1 45 . 2 1 1 A 3 3 ARG N N 26 125.000 118.658 6.342 1 1 47 . 2 1 1 A 4 4 ALA H H 27 8.260 8.650 -0.390 1 1 48 . 2 1 1 A 4 4 ALA HA H 27 4.090 3.861 0.229 1 1 52 . 2 1 1 A 4 4 ALA C C 27 177.300 177.093 0.207 1 1 53 . 2 1 1 A 4 4 ALA CA C 27 52.800 54.060 -1.260 1 1 54 . 2 1 1 A 4 4 ALA CB C 27 19.200 17.508 1.692 1 1 55 . 2 1 1 A 4 4 ALA N N 27 125.400 129.810 -4.410 1 1 56 . 2 1 1 A 5 5 ASP H H 28 8.260 8.462 -0.202 1 1 57 . 2 1 1 A 5 5 ASP HA H 28 4.470 4.847 -0.377 1 1 60 . 2 1 1 A 5 5 ASP C C 28 176.200 177.137 -0.937 1 1 61 . 2 1 1 A 5 5 ASP CA C 28 54.500 55.143 -0.643 1 1 62 . 2 1 1 A 5 5 ASP CB C 28 40.700 43.502 -2.802 1 1 63 . 2 1 1 A 5 5 ASP N N 28 118.200 118.879 -0.679 1 1 64 . 2 1 1 A 6 6 PHE H H 29 7.930 7.856 0.074 1 1 65 . 2 1 1 A 6 6 PHE HA H 29 4.510 4.568 -0.058 1 1 73 . 2 1 1 A 6 6 PHE C C 29 175.700 176.529 -0.829 1 1 74 . 2 1 1 A 6 6 PHE CA C 29 58.000 57.885 0.115 1 1 75 . 2 1 1 A 6 6 PHE CB C 29 39.300 39.169 0.131 1 1 81 . 2 1 1 A 6 6 PHE N N 29 119.400 115.801 3.599 1 1 82 . 2 1 1 A 7 7 LEU H H 30 8.000 7.120 0.880 1 1 83 . 2 1 1 A 7 7 LEU HA H 30 4.210 4.237 -0.027 1 1 93 . 2 1 1 A 7 7 LEU C C 30 177.400 176.509 0.891 1 1 94 . 2 1 1 A 7 7 LEU CA C 30 55.400 54.339 1.061 1 1 95 . 2 1 1 A 7 7 LEU CB C 30 42.200 41.414 0.786 1 1 99 . 2 1 1 A 7 7 LEU N N 30 122.100 119.163 2.937 1 1 100 . 2 1 1 A 8 8 SER H H 31 8.130 7.469 0.661 1 1 101 . 2 1 1 A 8 8 SER HA H 31 4.330 4.423 -0.093 1 1 104 . 2 1 1 A 8 8 SER C C 31 174.900 174.142 0.758 1 1 105 . 2 1 1 A 8 8 SER CA C 31 58.800 58.854 -0.054 1 1 106 . 2 1 1 A 8 8 SER CB C 31 63.800 63.590 0.210 1 1 107 . 2 1 1 A 8 8 SER N N 31 116.000 116.505 -0.505 1 1 108 . 2 1 1 A 9 9 GLU H H 32 8.380 8.517 -0.137 1 1 109 . 2 1 1 A 9 9 GLU HA H 32 4.240 4.708 -0.468 1 1 114 . 2 1 1 A 9 9 GLU C C 32 176.600 175.287 1.313 1 1 115 . 2 1 1 A 9 9 GLU CA C 32 57.000 56.264 0.736 1 1 116 . 2 1 1 A 9 9 GLU CB C 32 30.000 32.317 -2.317 1 1 118 . 2 1 1 A 9 9 GLU N N 32 122.200 126.321 -4.121 1 1 119 . 2 1 1 A 10 10 LEU H H 33 7.990 8.497 -0.507 1 1 120 . 2 1 1 A 10 10 LEU HA H 33 4.220 4.171 0.049 1 1 130 . 2 1 1 A 10 10 LEU C C 33 177.100 177.061 0.039 1 1 131 . 2 1 1 A 10 10 LEU CA C 33 55.500 55.023 0.477 1 1 132 . 2 1 1 A 10 10 LEU CB C 33 42.200 42.901 -0.701 1 1 136 . 2 1 1 A 10 10 LEU N N 33 121.200 127.202 -6.002 1 1 137 . 2 1 1 A 11 11 ASP H H 34 8.090 8.999 -0.909 1 1 138 . 2 1 1 A 11 11 ASP HA H 34 4.550 4.227 0.323 1 1 141 . 2 1 1 A 11 11 ASP C C 34 175.400 175.351 0.049 1 1 142 . 2 1 1 A 11 11 ASP CA C 34 54.200 54.818 -0.618 1 1 143 . 2 1 1 A 11 11 ASP CB C 34 41.300 39.228 2.072 1 1 144 . 2 1 1 A 11 11 ASP N N 34 120.000 123.053 -3.053 1 1 145 . 2 1 1 A 12 12 ALA H H 35 7.950 7.772 0.178 1 1 146 . 2 1 1 A 12 12 ALA HA H 35 4.510 4.439 0.071 1 1 150 . 2 1 1 A 12 12 ALA CA C 35 50.800 51.027 -0.227 1 1 151 . 2 1 1 A 12 12 ALA CB C 35 18.300 18.852 -0.552 1 1 152 . 2 1 1 A 12 12 ALA N N 35 124.600 123.134 1.466 1 1 153 . 2 1 1 A 13 13 PRO HA H 36 4.360 4.507 -0.147 1 1 160 . 2 1 1 A 13 13 PRO C C 36 176.900 175.787 1.113 1 1 161 . 2 1 1 A 13 13 PRO CA C 36 63.200 64.012 -0.812 1 1 162 . 2 1 1 A 13 13 PRO CB C 36 32.000 31.861 0.139 1 1 165 . 2 1 1 A 14 14 ALA H H 37 8.390 7.186 1.204 1 1 166 . 2 1 1 A 14 14 ALA HA H 37 4.230 4.574 -0.344 1 1 170 . 2 1 1 A 14 14 ALA C C 37 177.900 177.239 0.661 1 1 171 . 2 1 1 A 14 14 ALA CA C 37 52.600 51.642 0.958 1 1 172 . 2 1 1 A 14 14 ALA CB C 37 19.300 21.776 -2.476 1 1 173 . 2 1 1 A 14 14 ALA N N 37 123.900 117.046 6.854 1 1 174 . 2 1 1 A 15 15 GLN H H 38 8.330 8.737 -0.407 1 1 175 . 2 1 1 A 15 15 GLN HA H 38 4.280 3.909 0.371 1 1 182 . 2 1 1 A 15 15 GLN C C 38 175.800 177.674 -1.874 1 1 183 . 2 1 1 A 15 15 GLN CA C 38 55.700 58.691 -2.991 1 1 184 . 2 1 1 A 15 15 GLN CB C 38 29.600 28.954 0.646 1 1 187 . 2 1 1 A 15 15 GLN N N 38 119.300 122.759 -3.459 1 1 189 . 2 1 1 A 16 16 ALA H H 39 8.410 7.612 0.798 1 1 190 . 2 1 1 A 16 16 ALA HA H 39 4.070 4.285 -0.215 1 1 194 . 2 1 1 A 16 16 ALA C C 39 178.200 177.548 0.652 1 1 195 . 2 1 1 A 16 16 ALA CA C 39 52.800 52.004 0.796 1 1 196 . 2 1 1 A 16 16 ALA CB C 39 19.300 19.070 0.230 1 1 197 . 2 1 1 A 16 16 ALA N N 39 125.600 119.874 5.726 1 1 198 . 2 1 1 A 17 17 GLY H H 40 8.510 7.957 0.553 1 1 199 . 2 1 1 A 17 17 GLY HA2 H 40 4.010 3.952 0.058 1 1 200 . 2 1 1 A 17 17 GLY HA3 H 40 4.010 3.953 0.057 1 1 201 . 2 1 1 A 17 17 GLY C C 40 174.600 175.447 -0.847 1 1 202 . 2 1 1 A 17 17 GLY CA C 40 45.400 46.610 -1.210 1 1 203 . 2 1 1 A 17 17 GLY N N 40 108.500 107.077 1.423 1 1 204 . 2 1 1 A 18 18 THR H H 41 8.020 8.171 -0.151 1 1 205 . 2 1 1 A 18 18 THR HA H 41 4.320 4.286 0.034 1 1 210 . 2 1 1 A 18 18 THR C C 41 174.900 174.910 -0.010 1 1 211 . 2 1 1 A 18 18 THR CA C 41 62.100 62.346 -0.246 1 1 212 . 2 1 1 A 18 18 THR CB C 41 69.900 69.504 0.396 1 1 214 . 2 1 1 A 18 18 THR N N 41 112.900 112.050 0.850 1 1 215 . 2 1 1 A 19 19 GLU H H 42 8.630 7.593 1.037 1 1 216 . 2 1 1 A 19 19 GLU HA H 42 4.300 4.369 -0.069 1 1 221 . 2 1 1 A 19 19 GLU C C 42 176.600 175.879 0.721 1 1 222 . 2 1 1 A 19 19 GLU CA C 42 56.900 56.785 0.115 1 1 223 . 2 1 1 A 19 19 GLU CB C 42 30.000 29.811 0.189 1 1 225 . 2 1 1 A 19 19 GLU N N 42 123.000 123.838 -0.838 1 1 226 . 2 1 1 A 20 20 SER H H 43 8.330 8.533 -0.203 1 1 227 . 2 1 1 A 20 20 SER HA H 43 4.400 4.562 -0.162 1 1 230 . 2 1 1 A 20 20 SER C C 43 174.300 174.830 -0.530 1 1 231 . 2 1 1 A 20 20 SER CA C 43 58.500 58.835 -0.335 1 1 232 . 2 1 1 A 20 20 SER CB C 43 63.900 63.503 0.397 1 1 233 . 2 1 1 A 20 20 SER N N 43 116.600 118.773 -2.173 1 1 234 . 2 1 1 A 21 21 ALA H H 44 8.320 8.656 -0.336 1 1 235 . 2 1 1 A 21 21 ALA HA H 44 4.300 4.701 -0.401 1 1 239 . 2 1 1 A 21 21 ALA C C 44 177.700 178.145 -0.445 1 1 240 . 2 1 1 A 21 21 ALA CA C 44 52.700 51.389 1.311 1 1 241 . 2 1 1 A 21 21 ALA CB C 44 19.300 20.248 -0.948 1 1 242 . 2 1 1 A 21 21 ALA N N 44 126.000 126.907 -0.907 1 1 243 . 2 1 1 A 22 22 VAL H H 45 8.040 7.745 0.295 1 1 244 . 2 1 1 A 22 22 VAL HA H 45 4.100 3.664 0.436 1 1 252 . 2 1 1 A 22 22 VAL C C 45 176.100 176.867 -0.767 1 1 253 . 2 1 1 A 22 22 VAL CA C 45 62.300 66.657 -4.357 1 1 254 . 2 1 1 A 22 22 VAL CB C 45 32.700 31.968 0.732 1 1 257 . 2 1 1 A 22 22 VAL N N 45 118.100 118.878 -0.778 1 1 258 . 2 1 1 A 23 23 SER H H 46 8.370 7.857 0.513 1 1 259 . 2 1 1 A 23 23 SER HA H 46 4.410 4.216 0.194 1 1 262 . 2 1 1 A 23 23 SER C C 46 174.900 174.469 0.431 1 1 263 . 2 1 1 A 23 23 SER CA C 46 58.500 59.991 -1.491 1 1 264 . 2 1 1 A 23 23 SER CB C 46 63.900 63.814 0.086 1 1 265 . 2 1 1 A 23 23 SER N N 46 119.100 116.689 2.411 1 1 266 . 2 1 1 A 24 24 GLY H H 47 8.370 8.600 -0.230 1 1 267 . 2 1 1 A 24 24 GLY HA2 H 47 3.950 4.078 -0.128 1 1 268 . 2 1 1 A 24 24 GLY HA3 H 47 3.950 4.090 -0.140 1 1 269 . 2 1 1 A 24 24 GLY C C 47 174.200 171.897 2.303 1 1 270 . 2 1 1 A 24 24 GLY CA C 47 45.400 44.780 0.620 1 1 271 . 2 1 1 A 24 24 GLY N N 47 110.500 110.497 0.003 1 1 272 . 2 1 1 A 25 25 VAL H H 48 7.980 8.224 -0.244 1 1 273 . 2 1 1 A 25 25 VAL HA H 48 4.040 4.890 -0.850 1 1 281 . 2 1 1 A 25 25 VAL C C 48 176.100 174.898 1.202 1 1 282 . 2 1 1 A 25 25 VAL CA C 48 62.200 60.777 1.423 1 1 283 . 2 1 1 A 25 25 VAL CB C 48 32.500 34.346 -1.846 1 1 286 . 2 1 1 A 25 25 VAL N N 48 118.100 119.822 -1.722 1 1 287 . 2 1 1 A 26 26 GLU H H 49 8.580 8.727 -0.147 1 1 288 . 2 1 1 A 26 26 GLU HA H 49 4.160 4.156 0.004 1 1 293 . 2 1 1 A 26 26 GLU C C 49 176.900 176.732 0.168 1 1 294 . 2 1 1 A 26 26 GLU CA C 49 57.400 57.819 -0.419 1 1 295 . 2 1 1 A 26 26 GLU CB C 49 29.800 30.155 -0.355 1 1 297 . 2 1 1 A 26 26 GLU N N 49 123.900 126.568 -2.668 1 1 298 . 2 1 1 A 27 27 GLY H H 50 8.330 8.604 -0.274 1 1 299 . 2 1 1 A 27 27 GLY HA2 H 50 3.890 3.824 0.066 1 1 300 . 2 1 1 A 27 27 GLY HA3 H 50 3.830 3.841 -0.011 1 1 301 . 2 1 1 A 27 27 GLY C C 50 173.800 174.206 -0.406 1 1 302 . 2 1 1 A 27 27 GLY CA C 50 45.200 46.574 -1.374 1 1 303 . 2 1 1 A 27 27 GLY N N 50 109.500 114.297 -4.797 1 1 304 . 2 1 1 A 28 28 LEU H H 51 7.770 8.564 -0.794 1 1 305 . 2 1 1 A 28 28 LEU HA H 51 4.470 4.053 0.417 1 1 315 . 2 1 1 A 28 28 LEU CA C 51 52.800 55.892 -3.092 1 1 316 . 2 1 1 A 28 28 LEU CB C 51 42.200 41.224 0.976 1 1 320 . 2 1 1 A 28 28 LEU N N 51 123.000 122.347 0.653 1 1 321 . 2 1 1 A 29 29 PRO HA H 52 4.660 4.214 0.446 1 1 328 . 2 1 1 A 29 29 PRO CA C 52 61.600 65.705 -4.105 1 1 329 . 2 1 1 A 29 29 PRO CB C 52 30.800 31.382 -0.582 1 1 332 . 2 1 1 A 30 30 PRO HA H 53 4.340 4.423 -0.083 1 1 339 . 2 1 1 A 30 30 PRO C C 53 177.500 177.133 0.367 1 1 340 . 2 1 1 A 30 30 PRO CA C 53 63.500 62.964 0.536 1 1 341 . 2 1 1 A 30 30 PRO CB C 53 32.000 32.330 -0.330 1 1 344 . 2 1 1 A 31 31 GLY H H 54 8.690 8.586 0.104 1 1 345 . 2 1 1 A 31 31 GLY HA2 H 54 4.060 3.912 0.148 1 1 346 . 2 1 1 A 31 31 GLY HA3 H 54 3.660 3.936 -0.276 1 1 347 . 2 1 1 A 31 31 GLY C C 54 172.900 174.134 -1.234 1 1 348 . 2 1 1 A 31 31 GLY CA C 54 45.400 45.557 -0.157 1 1 349 . 2 1 1 A 31 31 GLY N N 54 110.100 108.302 1.798 1 1 350 . 2 1 1 A 32 32 LEU H H 55 7.510 7.508 0.002 1 1 351 . 2 1 1 A 32 32 LEU HA H 55 4.960 4.804 0.156 1 1 361 . 2 1 1 A 32 32 LEU C C 55 175.400 175.915 -0.515 1 1 362 . 2 1 1 A 32 32 LEU CA C 55 54.100 53.852 0.248 1 1 363 . 2 1 1 A 32 32 LEU CB C 55 44.400 43.961 0.439 1 1 367 . 2 1 1 A 32 32 LEU N N 55 119.300 120.557 -1.257 1 1 368 . 2 1 1 A 33 33 ALA H H 56 7.840 8.630 -0.790 1 1 369 . 2 1 1 A 33 33 ALA HA H 56 4.500 5.248 -0.748 1 1 373 . 2 1 1 A 33 33 ALA C C 56 178.200 175.506 2.694 1 1 374 . 2 1 1 A 33 33 ALA CA C 56 51.100 49.852 1.248 1 1 375 . 2 1 1 A 33 33 ALA CB C 56 23.900 23.649 0.251 1 1 376 . 2 1 1 A 33 33 ALA N N 56 121.800 122.098 -0.298 1 1 377 . 2 1 1 A 34 34 LEU H H 57 8.640 8.015 0.625 1 1 378 . 2 1 1 A 34 34 LEU HA H 57 4.930 5.202 -0.272 1 1 388 . 2 1 1 A 34 34 LEU C C 57 174.400 174.890 -0.490 1 1 389 . 2 1 1 A 34 34 LEU CA C 57 53.400 52.783 0.617 1 1 390 . 2 1 1 A 34 34 LEU CB C 57 47.300 46.075 1.225 1 1 394 . 2 1 1 A 34 34 LEU N N 57 119.200 114.825 4.375 1 1 395 . 2 1 1 A 35 35 LEU H H 58 8.640 8.393 0.247 1 1 396 . 2 1 1 A 35 35 LEU HA H 58 5.440 5.129 0.311 1 1 406 . 2 1 1 A 35 35 LEU C C 58 176.200 175.012 1.188 1 1 407 . 2 1 1 A 35 35 LEU CA C 58 52.600 53.222 -0.622 1 1 408 . 2 1 1 A 35 35 LEU CB C 58 46.000 44.175 1.825 1 1 412 . 2 1 1 A 35 35 LEU N N 58 119.400 121.907 -2.507 1 1 413 . 2 1 1 A 36 36 VAL H H 59 8.960 8.648 0.312 1 1 414 . 2 1 1 A 36 36 VAL HA H 59 4.860 5.166 -0.306 1 1 422 . 2 1 1 A 36 36 VAL C C 59 176.400 174.975 1.425 1 1 423 . 2 1 1 A 36 36 VAL CA C 59 59.900 59.844 0.056 1 1 424 . 2 1 1 A 36 36 VAL CB C 59 34.600 34.933 -0.333 1 1 427 . 2 1 1 A 36 36 VAL N N 59 120.700 124.125 -3.425 1 1 428 . 2 1 1 A 37 37 VAL H H 60 8.830 8.761 0.069 1 1 429 . 2 1 1 A 37 37 VAL HA H 60 4.170 4.244 -0.074 1 1 437 . 2 1 1 A 37 37 VAL C C 60 176.000 175.886 0.114 1 1 438 . 2 1 1 A 37 37 VAL CA C 60 63.900 63.844 0.056 1 1 439 . 2 1 1 A 37 37 VAL CB C 60 31.400 32.106 -0.706 1 1 442 . 2 1 1 A 37 37 VAL N N 60 125.700 128.472 -2.772 1 1 443 . 2 1 1 A 38 38 LYS H H 61 9.400 9.167 0.233 1 1 444 . 2 1 1 A 38 38 LYS HA H 61 4.450 4.372 0.078 1 1 453 . 2 1 1 A 38 38 LYS C C 61 176.000 175.768 0.232 1 1 454 . 2 1 1 A 38 38 LYS CA C 61 56.900 57.407 -0.507 1 1 455 . 2 1 1 A 38 38 LYS CB C 61 34.200 33.959 0.241 1 1 459 . 2 1 1 A 38 38 LYS N N 61 131.900 129.352 2.548 1 1 460 . 2 1 1 A 39 39 ARG H H 62 7.990 7.754 0.236 1 1 461 . 2 1 1 A 39 39 ARG HA H 62 4.700 4.651 0.049 1 1 469 . 2 1 1 A 39 39 ARG C C 62 173.600 175.097 -1.497 1 1 470 . 2 1 1 A 39 39 ARG CA C 62 55.100 54.626 0.474 1 1 471 . 2 1 1 A 39 39 ARG CB C 62 34.100 34.035 0.065 1 1 474 . 2 1 1 A 39 39 ARG N N 62 117.300 117.743 -0.443 1 1 476 . 2 1 1 A 40 40 GLY H H 63 8.480 8.419 0.061 1 1 477 . 2 1 1 A 40 40 GLY HA2 H 63 4.290 4.057 0.233 1 1 478 . 2 1 1 A 40 40 GLY HA3 H 63 3.580 4.145 -0.565 1 1 479 . 2 1 1 A 40 40 GLY CA C 63 43.800 44.508 -0.708 1 1 480 . 2 1 1 A 40 40 GLY N N 63 110.800 108.815 1.985 1 1 481 . 2 1 1 A 41 41 PRO HA H 64 4.300 4.419 -0.119 1 1 488 . 2 1 1 A 41 41 PRO C C 64 175.900 177.133 -1.233 1 1 489 . 2 1 1 A 41 41 PRO CA C 64 64.400 64.429 -0.029 1 1 490 . 2 1 1 A 41 41 PRO CB C 64 31.500 31.934 -0.434 1 1 493 . 2 1 1 A 42 42 ASN H H 65 8.310 8.231 0.079 1 1 494 . 2 1 1 A 42 42 ASN HA H 65 4.770 4.929 -0.159 1 1 499 . 2 1 1 A 42 42 ASN C C 65 177.500 174.868 2.632 1 1 500 . 2 1 1 A 42 42 ASN CA C 65 52.100 52.632 -0.532 1 1 501 . 2 1 1 A 42 42 ASN CB C 65 36.700 38.771 -2.071 1 1 503 . 2 1 1 A 42 42 ASN N N 65 114.500 115.984 -1.484 1 1 505 . 2 1 1 A 43 43 ALA H H 66 7.470 7.418 0.052 1 1 506 . 2 1 1 A 43 43 ALA HA H 66 3.690 4.103 -0.413 1 1 510 . 2 1 1 A 43 43 ALA C C 66 177.800 178.307 -0.507 1 1 511 . 2 1 1 A 43 43 ALA CA C 66 54.200 53.838 0.362 1 1 512 . 2 1 1 A 43 43 ALA CB C 66 17.700 18.717 -1.017 1 1 513 . 2 1 1 A 43 43 ALA N N 66 122.100 122.152 -0.052 1 1 514 . 2 1 1 A 44 44 GLY H H 67 9.120 8.897 0.223 1 1 515 . 2 1 1 A 44 44 GLY HA2 H 67 4.440 4.011 0.429 1 1 516 . 2 1 1 A 44 44 GLY HA3 H 67 3.490 4.014 -0.524 1 1 517 . 2 1 1 A 44 44 GLY C C 67 174.900 174.450 0.450 1 1 518 . 2 1 1 A 44 44 GLY CA C 67 44.600 44.841 -0.241 1 1 519 . 2 1 1 A 44 44 GLY N N 67 111.800 110.733 1.067 1 1 520 . 2 1 1 A 45 45 SER H H 68 8.090 7.946 0.144 1 1 521 . 2 1 1 A 45 45 SER HA H 68 4.280 4.280 0.000 1 1 524 . 2 1 1 A 45 45 SER C C 68 171.500 173.864 -2.364 1 1 525 . 2 1 1 A 45 45 SER CA C 68 60.500 58.315 2.185 1 1 526 . 2 1 1 A 45 45 SER CB C 68 63.800 63.828 -0.028 1 1 527 . 2 1 1 A 45 45 SER N N 68 117.400 117.201 0.199 1 1 528 . 2 1 1 A 46 46 ARG H H 69 8.120 8.623 -0.503 1 1 529 . 2 1 1 A 46 46 ARG HA H 69 5.140 5.067 0.073 1 1 537 . 2 1 1 A 46 46 ARG C C 69 174.600 173.756 0.844 1 1 538 . 2 1 1 A 46 46 ARG CA C 69 54.200 53.884 0.316 1 1 539 . 2 1 1 A 46 46 ARG CB C 69 33.900 33.570 0.330 1 1 542 . 2 1 1 A 46 46 ARG N N 69 119.800 122.062 -2.262 1 1 544 . 2 1 1 A 47 47 PHE H H 70 9.180 8.703 0.477 1 1 545 . 2 1 1 A 47 47 PHE HA H 70 4.720 5.005 -0.285 1 1 553 . 2 1 1 A 47 47 PHE C C 70 173.900 174.176 -0.276 1 1 554 . 2 1 1 A 47 47 PHE CA C 70 56.400 56.570 -0.170 1 1 555 . 2 1 1 A 47 47 PHE CB C 70 41.500 42.559 -1.059 1 1 561 . 2 1 1 A 47 47 PHE N N 70 120.800 119.090 1.710 1 1 562 . 2 1 1 A 48 48 LEU H H 71 8.720 8.980 -0.260 1 1 563 . 2 1 1 A 48 48 LEU HA H 71 4.450 4.820 -0.370 1 1 573 . 2 1 1 A 48 48 LEU C C 71 176.300 174.968 1.332 1 1 574 . 2 1 1 A 48 48 LEU CA C 71 54.900 53.856 1.044 1 1 575 . 2 1 1 A 48 48 LEU CB C 71 43.200 44.328 -1.128 1 1 579 . 2 1 1 A 48 48 LEU N N 71 125.300 125.377 -0.077 1 1 580 . 2 1 1 A 49 49 LEU H H 72 8.730 8.737 -0.007 1 1 581 . 2 1 1 A 49 49 LEU HA H 72 4.770 4.499 0.271 1 1 591 . 2 1 1 A 49 49 LEU C C 72 174.800 176.892 -2.092 1 1 592 . 2 1 1 A 49 49 LEU CA C 72 53.200 54.272 -1.072 1 1 593 . 2 1 1 A 49 49 LEU CB C 72 40.900 39.783 1.117 1 1 597 . 2 1 1 A 49 49 LEU N N 72 126.900 127.802 -0.902 1 1 598 . 2 1 1 A 50 50 ASP H H 73 8.350 8.373 -0.023 1 1 599 . 2 1 1 A 50 50 ASP HA H 73 4.790 4.772 0.018 1 1 602 . 2 1 1 A 50 50 ASP C C 73 175.600 175.279 0.321 1 1 603 . 2 1 1 A 50 50 ASP CA C 73 53.000 53.610 -0.610 1 1 604 . 2 1 1 A 50 50 ASP CB C 73 41.400 40.229 1.171 1 1 605 . 2 1 1 A 50 50 ASP N N 73 120.400 121.744 -1.344 1 1 606 . 2 1 1 A 51 51 GLN H H 74 7.670 7.605 0.065 1 1 607 . 2 1 1 A 51 51 GLN HA H 74 4.660 4.792 -0.132 1 1 614 . 2 1 1 A 51 51 GLN C C 74 175.400 176.212 -0.812 1 1 615 . 2 1 1 A 51 51 GLN CA C 74 53.700 53.902 -0.202 1 1 616 . 2 1 1 A 51 51 GLN CB C 74 31.300 31.828 -0.528 1 1 619 . 2 1 1 A 51 51 GLN N N 74 116.200 119.389 -3.189 1 1 621 . 2 1 1 A 52 52 ALA H H 75 8.720 8.712 0.008 1 1 622 . 2 1 1 A 52 52 ALA HA H 75 4.170 4.206 -0.036 1 1 626 . 2 1 1 A 52 52 ALA C C 75 178.300 177.846 0.454 1 1 627 . 2 1 1 A 52 52 ALA CA C 75 55.700 54.738 0.962 1 1 628 . 2 1 1 A 52 52 ALA CB C 75 18.500 19.282 -0.782 1 1 629 . 2 1 1 A 52 52 ALA N N 75 123.200 125.407 -2.207 1 1 630 . 2 1 1 A 53 53 ILE H H 76 8.030 8.038 -0.008 1 1 631 . 2 1 1 A 53 53 ILE HA H 76 4.650 4.846 -0.196 1 1 641 . 2 1 1 A 53 53 ILE C C 76 175.100 174.513 0.587 1 1 642 . 2 1 1 A 53 53 ILE CA C 76 61.100 60.262 0.838 1 1 643 . 2 1 1 A 53 53 ILE CB C 76 40.500 40.896 -0.396 1 1 647 . 2 1 1 A 53 53 ILE N N 76 115.400 117.348 -1.948 1 1 648 . 2 1 1 A 54 54 THR H H 77 8.840 9.102 -0.262 1 1 649 . 2 1 1 A 54 54 THR HA H 77 4.940 5.136 -0.196 1 1 654 . 2 1 1 A 54 54 THR C C 77 174.600 173.600 1.000 1 1 655 . 2 1 1 A 54 54 THR CA C 77 61.400 61.764 -0.364 1 1 656 . 2 1 1 A 54 54 THR CB C 77 70.300 71.034 -0.734 1 1 658 . 2 1 1 A 54 54 THR N N 77 125.300 125.111 0.189 1 1 659 . 2 1 1 A 55 55 SER H H 78 10.690 9.074 1.616 1 1 660 . 2 1 1 A 55 55 SER HA H 78 4.720 4.870 -0.150 1 1 663 . 2 1 1 A 55 55 SER C C 78 172.600 174.038 -1.438 1 1 664 . 2 1 1 A 55 55 SER CA C 78 57.800 58.303 -0.503 1 1 665 . 2 1 1 A 55 55 SER CB C 78 65.200 64.029 1.171 1 1 666 . 2 1 1 A 55 55 SER N N 78 126.300 123.387 2.913 1 1 667 . 2 1 1 A 56 56 ALA H H 79 8.840 8.100 0.740 1 1 668 . 2 1 1 A 56 56 ALA HA H 79 5.720 4.737 0.983 1 1 672 . 2 1 1 A 56 56 ALA C C 79 175.800 177.969 -2.169 1 1 673 . 2 1 1 A 56 56 ALA CA C 79 49.800 50.964 -1.164 1 1 674 . 2 1 1 A 56 56 ALA CB C 79 21.900 21.057 0.843 1 1 675 . 2 1 1 A 56 56 ALA N N 79 123.200 125.444 -2.244 1 1 676 . 2 1 1 A 57 57 GLY H H 80 8.410 8.606 -0.196 1 1 677 . 2 1 1 A 57 57 GLY HA2 H 80 4.400 3.915 0.485 1 1 678 . 2 1 1 A 57 57 GLY HA3 H 80 3.970 3.953 0.017 1 1 679 . 2 1 1 A 57 57 GLY C C 80 174.800 173.792 1.008 1 1 680 . 2 1 1 A 57 57 GLY CA C 80 46.300 47.145 -0.845 1 1 681 . 2 1 1 A 57 57 GLY N N 80 108.700 107.366 1.334 1 1 682 . 2 1 1 A 58 58 ARG H H 81 8.330 8.455 -0.125 1 1 683 . 2 1 1 A 58 58 ARG HA H 81 4.440 4.905 -0.465 1 1 690 . 2 1 1 A 58 58 ARG C C 81 176.400 175.663 0.737 1 1 691 . 2 1 1 A 58 58 ARG CA C 81 54.700 55.764 -1.064 1 1 692 . 2 1 1 A 58 58 ARG CB C 81 32.300 31.768 0.532 1 1 695 . 2 1 1 A 58 58 ARG N N 81 120.400 123.778 -3.378 1 1 696 . 2 1 1 A 59 59 HIS H H 82 9.040 8.560 0.480 1 1 697 . 2 1 1 A 59 59 HIS HA H 82 4.280 4.869 -0.589 1 1 702 . 2 1 1 A 59 59 HIS CA C 82 56.800 55.391 1.409 1 1 703 . 2 1 1 A 59 59 HIS CB C 82 30.900 31.865 -0.965 1 1 705 . 2 1 1 A 59 59 HIS N N 82 124.300 122.751 1.549 1 1 708 . 2 1 1 A 60 60 PRO HA H 83 3.640 4.142 -0.502 1 1 715 . 2 1 1 A 60 60 PRO C C 83 177.000 176.405 0.595 1 1 716 . 2 1 1 A 60 60 PRO CA C 83 64.800 63.739 1.061 1 1 717 . 2 1 1 A 60 60 PRO CB C 83 31.700 31.933 -0.233 1 1 720 . 2 1 1 A 61 61 ASP H H 84 11.140 8.746 2.394 1 1 721 . 2 1 1 A 61 61 ASP HA H 84 4.700 4.136 0.564 1 1 724 . 2 1 1 A 61 61 ASP C C 84 177.400 175.497 1.903 1 1 725 . 2 1 1 A 61 61 ASP CA C 84 53.900 56.020 -2.120 1 1 726 . 2 1 1 A 61 61 ASP CB C 84 40.500 38.804 1.696 1 1 727 . 2 1 1 A 61 61 ASP N N 84 121.600 116.004 5.596 1 1 728 . 2 1 1 A 62 62 SER H H 85 8.190 7.469 0.721 1 1 729 . 2 1 1 A 62 62 SER HA H 85 4.030 4.478 -0.448 1 1 733 . 2 1 1 A 62 62 SER C C 85 173.400 174.460 -1.060 1 1 734 . 2 1 1 A 62 62 SER CA C 85 60.400 59.028 1.372 1 1 735 . 2 1 1 A 62 62 SER CB C 85 65.200 63.993 1.207 1 1 736 . 2 1 1 A 62 62 SER N N 85 118.100 115.846 2.254 1 1 737 . 2 1 1 A 63 63 ASP H H 86 8.270 8.874 -0.604 1 1 738 . 2 1 1 A 63 63 ASP HA H 86 4.390 4.537 -0.147 1 1 741 . 2 1 1 A 63 63 ASP C C 86 177.200 175.956 1.244 1 1 742 . 2 1 1 A 63 63 ASP CA C 86 58.300 57.093 1.207 1 1 743 . 2 1 1 A 63 63 ASP CB C 86 42.100 40.772 1.328 1 1 744 . 2 1 1 A 63 63 ASP N N 86 125.600 123.014 2.586 1 1 745 . 2 1 1 A 64 64 ILE H H 87 8.470 8.072 0.398 1 1 746 . 2 1 1 A 64 64 ILE HA H 87 3.560 3.610 -0.050 1 1 756 . 2 1 1 A 64 64 ILE C C 87 172.900 174.496 -1.596 1 1 757 . 2 1 1 A 64 64 ILE CA C 87 60.500 60.158 0.342 1 1 758 . 2 1 1 A 64 64 ILE CB C 87 37.400 38.048 -0.648 1 1 762 . 2 1 1 A 64 64 ILE N N 87 119.500 118.707 0.793 1 1 763 . 2 1 1 A 65 65 PHE H H 88 8.100 8.519 -0.419 1 1 764 . 2 1 1 A 65 65 PHE HA H 88 5.010 5.447 -0.437 1 1 772 . 2 1 1 A 65 65 PHE C C 88 174.000 173.626 0.374 1 1 773 . 2 1 1 A 65 65 PHE CA C 88 55.600 55.241 0.359 1 1 774 . 2 1 1 A 65 65 PHE CB C 88 38.800 39.951 -1.151 1 1 779 . 2 1 1 A 65 65 PHE N N 88 127.100 123.793 3.307 1 1 780 . 2 1 1 A 66 66 LEU H H 89 7.710 8.619 -0.909 1 1 781 . 2 1 1 A 66 66 LEU HA H 89 3.620 4.415 -0.795 1 1 791 . 2 1 1 A 66 66 LEU C C 89 173.500 174.812 -1.312 1 1 792 . 2 1 1 A 66 66 LEU CA C 89 52.100 54.222 -2.122 1 1 793 . 2 1 1 A 66 66 LEU CB C 89 41.300 40.580 0.720 1 1 797 . 2 1 1 A 66 66 LEU N N 89 131.900 126.554 5.346 1 1 798 . 2 1 1 A 67 67 ASP H H 90 7.980 8.468 -0.488 1 1 799 . 2 1 1 A 67 67 ASP HA H 90 4.260 4.945 -0.685 1 1 802 . 2 1 1 A 67 67 ASP C C 90 174.800 174.661 0.139 1 1 803 . 2 1 1 A 67 67 ASP CA C 90 53.100 53.416 -0.316 1 1 804 . 2 1 1 A 67 67 ASP CB C 90 39.900 40.796 -0.896 1 1 805 . 2 1 1 A 67 67 ASP N N 90 120.000 126.226 -6.226 1 1 806 . 2 1 1 A 68 68 ASP H H 91 7.480 8.357 -0.877 1 1 807 . 2 1 1 A 68 68 ASP HA H 91 4.850 5.170 -0.320 1 1 810 . 2 1 1 A 68 68 ASP C C 91 175.600 175.830 -0.230 1 1 811 . 2 1 1 A 68 68 ASP CA C 91 54.900 52.645 2.255 1 1 812 . 2 1 1 A 68 68 ASP CB C 91 48.500 44.684 3.816 1 1 813 . 2 1 1 A 68 68 ASP N N 91 121.400 125.638 -4.238 1 1 814 . 2 1 1 A 69 69 VAL H H 92 8.370 8.947 -0.577 1 1 815 . 2 1 1 A 69 69 VAL HA H 92 4.060 3.728 0.332 1 1 823 . 2 1 1 A 69 69 VAL C C 92 175.900 176.561 -0.661 1 1 824 . 2 1 1 A 69 69 VAL CA C 92 64.800 66.295 -1.495 1 1 825 . 2 1 1 A 69 69 VAL CB C 92 31.700 31.795 -0.095 1 1 828 . 2 1 1 A 69 69 VAL N N 92 121.900 121.344 0.556 1 1 829 . 2 1 1 A 70 70 THR H H 93 8.360 7.820 0.540 1 1 830 . 2 1 1 A 70 70 THR HA H 93 4.060 4.477 -0.417 1 1 836 . 2 1 1 A 70 70 THR C C 93 175.100 174.208 0.892 1 1 837 . 2 1 1 A 70 70 THR CA C 93 63.700 60.941 2.759 1 1 838 . 2 1 1 A 70 70 THR CB C 93 70.300 70.766 -0.466 1 1 840 . 2 1 1 A 70 70 THR N N 93 111.100 113.847 -2.747 1 1 841 . 2 1 1 A 71 71 VAL H H 94 8.240 8.569 -0.329 1 1 842 . 2 1 1 A 71 71 VAL HA H 94 4.520 3.865 0.655 1 1 850 . 2 1 1 A 71 71 VAL C C 94 176.800 175.489 1.311 1 1 851 . 2 1 1 A 71 71 VAL CA C 94 61.200 62.591 -1.391 1 1 852 . 2 1 1 A 71 71 VAL CB C 94 33.500 31.020 2.480 1 1 855 . 2 1 1 A 71 71 VAL N N 94 125.500 118.751 6.749 1 1 856 . 2 1 1 A 72 72 SER H H 95 11.410 8.444 2.966 1 1 857 . 2 1 1 A 72 72 SER HA H 95 4.670 4.716 -0.046 1 1 860 . 2 1 1 A 72 72 SER C C 95 174.500 175.990 -1.490 1 1 861 . 2 1 1 A 72 72 SER CA C 95 60.600 57.471 3.129 1 1 862 . 2 1 1 A 72 72 SER CB C 95 64.200 65.417 -1.217 1 1 863 . 2 1 1 A 72 72 SER N N 95 126.800 121.991 4.809 1 1 864 . 2 1 1 A 73 73 ARG H H 96 9.260 8.929 0.331 1 1 865 . 2 1 1 A 73 73 ARG HA H 96 3.770 4.129 -0.359 1 1 873 . 2 1 1 A 73 73 ARG C C 96 176.600 176.810 -0.210 1 1 874 . 2 1 1 A 73 73 ARG CA C 96 61.300 58.929 2.371 1 1 875 . 2 1 1 A 73 73 ARG CB C 96 29.800 29.845 -0.045 1 1 878 . 2 1 1 A 73 73 ARG N N 96 124.600 119.973 4.627 1 1 880 . 2 1 1 A 74 74 ARG H H 97 7.800 7.448 0.352 1 1 881 . 2 1 1 A 74 74 ARG HA H 97 4.440 4.594 -0.154 1 1 889 . 2 1 1 A 74 74 ARG C C 97 173.100 176.561 -3.461 1 1 890 . 2 1 1 A 74 74 ARG CA C 97 54.800 54.925 -0.125 1 1 891 . 2 1 1 A 74 74 ARG CB C 97 29.300 30.718 -1.418 1 1 894 . 2 1 1 A 74 74 ARG N N 97 114.800 119.150 -4.350 1 1 896 . 2 1 1 A 75 75 HIS H H 98 7.840 8.195 -0.355 1 1 897 . 2 1 1 A 75 75 HIS HA H 98 4.430 4.249 0.181 1 1 903 . 2 1 1 A 75 75 HIS C C 98 173.800 174.541 -0.741 1 1 904 . 2 1 1 A 75 75 HIS CA C 98 57.800 59.662 -1.862 1 1 905 . 2 1 1 A 75 75 HIS CB C 98 35.000 30.364 4.636 1 1 908 . 2 1 1 A 75 75 HIS N N 98 124.400 119.515 4.885 1 1 910 . 2 1 1 A 76 76 ALA H H 99 8.490 7.638 0.852 1 1 911 . 2 1 1 A 76 76 ALA HA H 99 5.580 4.531 1.049 1 1 915 . 2 1 1 A 76 76 ALA C C 99 176.500 174.887 1.613 1 1 916 . 2 1 1 A 76 76 ALA CA C 99 50.300 51.380 -1.080 1 1 917 . 2 1 1 A 76 76 ALA CB C 99 23.200 22.820 0.380 1 1 918 . 2 1 1 A 76 76 ALA N N 99 116.600 117.878 -1.278 1 1 919 . 2 1 1 A 77 77 GLU H H 100 9.030 8.909 0.121 1 1 920 . 2 1 1 A 77 77 GLU HA H 100 5.030 5.020 0.010 1 1 925 . 2 1 1 A 77 77 GLU C C 100 174.100 174.660 -0.560 1 1 926 . 2 1 1 A 77 77 GLU CA C 100 54.500 55.039 -0.539 1 1 927 . 2 1 1 A 77 77 GLU CB C 100 34.900 33.579 1.321 1 1 929 . 2 1 1 A 77 77 GLU N N 100 118.100 120.639 -2.539 1 1 930 . 2 1 1 A 78 78 PHE H H 101 9.400 8.999 0.401 1 1 931 . 2 1 1 A 78 78 PHE HA H 101 5.400 5.422 -0.022 1 1 939 . 2 1 1 A 78 78 PHE C C 101 176.500 175.221 1.279 1 1 940 . 2 1 1 A 78 78 PHE CA C 101 56.700 57.039 -0.339 1 1 941 . 2 1 1 A 78 78 PHE CB C 101 41.000 42.100 -1.100 1 1 946 . 2 1 1 A 78 78 PHE N N 101 119.600 124.819 -5.219 1 1 947 . 2 1 1 A 79 79 ARG H H 102 9.720 8.702 1.018 1 1 948 . 2 1 1 A 79 79 ARG HA H 102 5.490 5.289 0.201 1 1 956 . 2 1 1 A 79 79 ARG C C 102 174.300 174.208 0.092 1 1 957 . 2 1 1 A 79 79 ARG CA C 102 54.800 54.303 0.497 1 1 958 . 2 1 1 A 79 79 ARG CB C 102 33.100 34.533 -1.433 1 1 961 . 2 1 1 A 79 79 ARG N N 102 126.100 120.449 5.651 1 1 963 . 2 1 1 A 80 80 LEU H H 103 9.020 8.634 0.386 1 1 964 . 2 1 1 A 80 80 LEU HA H 103 4.400 4.761 -0.361 1 1 974 . 2 1 1 A 80 80 LEU C C 103 176.100 175.152 0.948 1 1 975 . 2 1 1 A 80 80 LEU CA C 103 54.100 53.800 0.300 1 1 976 . 2 1 1 A 80 80 LEU CB C 103 42.600 43.829 -1.229 1 1 980 . 2 1 1 A 80 80 LEU N N 103 128.000 125.150 2.850 1 1 981 . 2 1 1 A 81 81 GLU H H 104 8.860 8.766 0.094 1 1 982 . 2 1 1 A 81 81 GLU HA H 104 4.430 4.459 -0.029 1 1 987 . 2 1 1 A 81 81 GLU C C 104 175.800 175.016 0.784 1 1 988 . 2 1 1 A 81 81 GLU CA C 104 55.500 56.147 -0.647 1 1 989 . 2 1 1 A 81 81 GLU CB C 104 32.600 32.634 -0.034 1 1 991 . 2 1 1 A 81 81 GLU N N 104 128.600 125.436 3.164 1 1 992 . 2 1 1 A 82 82 ASN H H 105 9.410 9.308 0.102 1 1 993 . 2 1 1 A 82 82 ASN HA H 105 4.200 4.402 -0.202 1 1 998 . 2 1 1 A 82 82 ASN C C 105 174.300 175.212 -0.912 1 1 999 . 2 1 1 A 82 82 ASN CA C 105 54.700 54.536 0.164 1 1 1000 . 2 1 1 A 82 82 ASN CB C 105 37.200 36.948 0.252 1 1 1002 . 2 1 1 A 82 82 ASN N N 105 124.600 125.164 -0.564 1 1 1004 . 2 1 1 A 83 83 ASN H H 106 8.640 8.535 0.105 1 1 1005 . 2 1 1 A 83 83 ASN HA H 106 4.010 4.226 -0.216 1 1 1010 . 2 1 1 A 83 83 ASN C C 106 173.100 173.860 -0.760 1 1 1011 . 2 1 1 A 83 83 ASN CA C 106 54.900 54.347 0.553 1 1 1012 . 2 1 1 A 83 83 ASN CB C 106 38.100 37.540 0.560 1 1 1014 . 2 1 1 A 83 83 ASN N N 106 108.900 114.718 -5.818 1 1 1016 . 2 1 1 A 84 84 GLU H H 107 7.660 7.424 0.236 1 1 1017 . 2 1 1 A 84 84 GLU HA H 107 4.660 4.798 -0.138 1 1 1022 . 2 1 1 A 84 84 GLU C C 107 174.300 175.136 -0.836 1 1 1023 . 2 1 1 A 84 84 GLU CA C 107 54.700 54.730 -0.030 1 1 1024 . 2 1 1 A 84 84 GLU CB C 107 32.900 33.542 -0.642 1 1 1026 . 2 1 1 A 84 84 GLU N N 107 118.300 116.947 1.353 1 1 1027 . 2 1 1 A 85 85 PHE H H 108 9.690 8.910 0.780 1 1 1028 . 2 1 1 A 85 85 PHE HA H 108 5.000 5.030 -0.030 1 1 1035 . 2 1 1 A 85 85 PHE C C 108 174.500 175.592 -1.092 1 1 1036 . 2 1 1 A 85 85 PHE CA C 108 58.600 57.301 1.299 1 1 1037 . 2 1 1 A 85 85 PHE CB C 108 41.800 41.275 0.525 1 1 1042 . 2 1 1 A 85 85 PHE N N 108 121.100 121.594 -0.494 1 1 1043 . 2 1 1 A 86 86 ASN H H 109 9.180 8.962 0.218 1 1 1044 . 2 1 1 A 86 86 ASN HA H 109 5.580 5.323 0.257 1 1 1049 . 2 1 1 A 86 86 ASN C C 109 175.000 172.974 2.026 1 1 1050 . 2 1 1 A 86 86 ASN CA C 109 51.200 52.035 -0.835 1 1 1051 . 2 1 1 A 86 86 ASN CB C 109 42.100 42.521 -0.421 1 1 1053 . 2 1 1 A 86 86 ASN N N 109 119.400 116.995 2.405 1 1 1055 . 2 1 1 A 87 87 VAL H H 110 9.060 9.095 -0.035 1 1 1056 . 2 1 1 A 87 87 VAL HA H 110 4.940 4.818 0.122 1 1 1064 . 2 1 1 A 87 87 VAL C C 110 171.700 173.609 -1.909 1 1 1065 . 2 1 1 A 87 87 VAL CA C 110 58.400 59.802 -1.402 1 1 1066 . 2 1 1 A 87 87 VAL CB C 110 33.800 34.718 -0.918 1 1 1069 . 2 1 1 A 87 87 VAL N N 110 121.300 119.897 1.403 1 1 1070 . 2 1 1 A 88 88 VAL H H 111 8.640 9.133 -0.493 1 1 1071 . 2 1 1 A 88 88 VAL HA H 111 4.590 4.597 -0.007 1 1 1079 . 2 1 1 A 88 88 VAL C C 111 175.700 173.301 2.399 1 1 1080 . 2 1 1 A 88 88 VAL CA C 111 60.100 60.701 -0.601 1 1 1081 . 2 1 1 A 88 88 VAL CB C 111 36.200 34.704 1.496 1 1 1084 . 2 1 1 A 88 88 VAL N N 111 125.500 127.848 -2.348 1 1 1085 . 2 1 1 A 89 89 ASP H H 112 8.480 8.349 0.131 1 1 1086 . 2 1 1 A 89 89 ASP HA H 112 4.870 4.782 0.088 1 1 1089 . 2 1 1 A 89 89 ASP C C 112 177.200 177.197 0.003 1 1 1090 . 2 1 1 A 89 89 ASP CA C 112 54.700 52.934 1.766 1 1 1091 . 2 1 1 A 89 89 ASP CB C 112 43.600 42.883 0.717 1 1 1092 . 2 1 1 A 89 89 ASP N N 112 126.600 127.669 -1.069 1 1 1093 . 2 1 1 A 90 90 VAL H H 113 7.980 8.401 -0.421 1 1 1094 . 2 1 1 A 90 90 VAL HA H 113 4.540 4.201 0.339 1 1 1102 . 2 1 1 A 90 90 VAL C C 113 174.400 176.576 -2.176 1 1 1103 . 2 1 1 A 90 90 VAL CA C 113 60.300 62.026 -1.726 1 1 1104 . 2 1 1 A 90 90 VAL CB C 113 29.500 31.748 -2.248 1 1 1107 . 2 1 1 A 90 90 VAL N N 113 119.700 121.082 -1.382 1 1 1108 . 2 1 1 A 91 91 GLY H H 114 8.600 8.579 0.021 1 1 1109 . 2 1 1 A 91 91 GLY HA2 H 114 4.260 3.917 0.343 1 1 1110 . 2 1 1 A 91 91 GLY HA3 H 114 3.720 3.948 -0.228 1 1 1111 . 2 1 1 A 91 91 GLY C C 114 175.300 174.448 0.852 1 1 1112 . 2 1 1 A 91 91 GLY CA C 114 45.700 45.407 0.293 1 1 1113 . 2 1 1 A 91 91 GLY N N 114 111.300 112.050 -0.750 1 1 1114 . 2 1 1 A 92 92 SER H H 115 9.190 8.865 0.325 1 1 1115 . 2 1 1 A 92 92 SER HA H 115 3.890 4.269 -0.379 1 1 1118 . 2 1 1 A 92 92 SER C C 115 174.500 176.015 -1.515 1 1 1119 . 2 1 1 A 92 92 SER CA C 115 58.600 61.147 -2.547 1 1 1120 . 2 1 1 A 92 92 SER CB C 115 61.300 63.322 -2.022 1 1 1121 . 2 1 1 A 92 92 SER N N 115 121.000 117.255 3.745 1 1 1122 . 2 1 1 A 93 93 LEU H H 116 7.720 7.876 -0.156 1 1 1123 . 2 1 1 A 93 93 LEU HA H 116 4.250 4.105 0.145 1 1 1133 . 2 1 1 A 93 93 LEU C C 116 179.100 176.182 2.918 1 1 1134 . 2 1 1 A 93 93 LEU CA C 116 57.200 58.208 -1.008 1 1 1135 . 2 1 1 A 93 93 LEU CB C 116 42.100 41.726 0.374 1 1 1139 . 2 1 1 A 93 93 LEU N N 116 120.500 121.475 -0.975 1 1 1140 . 2 1 1 A 94 94 ASN H H 117 8.450 7.721 0.729 1 1 1141 . 2 1 1 A 94 94 ASN HA H 117 4.870 4.914 -0.044 1 1 1146 . 2 1 1 A 94 94 ASN C C 117 175.800 175.059 0.741 1 1 1147 . 2 1 1 A 94 94 ASN CA C 117 54.000 51.717 2.283 1 1 1148 . 2 1 1 A 94 94 ASN CB C 117 40.100 40.792 -0.692 1 1 1150 . 2 1 1 A 94 94 ASN N N 117 112.500 113.235 -0.735 1 1 1152 . 2 1 1 A 95 95 GLY H H 118 7.940 8.345 -0.405 1 1 1153 . 2 1 1 A 95 95 GLY HA2 H 118 4.190 4.122 0.068 1 1 1154 . 2 1 1 A 95 95 GLY HA3 H 118 3.610 4.182 -0.572 1 1 1155 . 2 1 1 A 95 95 GLY C C 118 174.000 171.874 2.126 1 1 1156 . 2 1 1 A 95 95 GLY CA C 118 44.300 45.557 -1.257 1 1 1157 . 2 1 1 A 95 95 GLY N N 118 109.800 106.108 3.692 1 1 1158 . 2 1 1 A 96 96 THR H H 119 8.940 8.651 0.289 1 1 1159 . 2 1 1 A 96 96 THR HA H 119 3.820 4.501 -0.681 1 1 1165 . 2 1 1 A 96 96 THR C C 119 172.300 173.905 -1.605 1 1 1166 . 2 1 1 A 96 96 THR CA C 119 64.100 63.084 1.016 1 1 1167 . 2 1 1 A 96 96 THR CB C 119 70.200 69.659 0.541 1 1 1169 . 2 1 1 A 96 96 THR N N 119 122.000 115.587 6.413 1 1 1170 . 2 1 1 A 97 97 TYR H H 120 8.220 8.529 -0.309 1 1 1171 . 2 1 1 A 97 97 TYR HA H 120 5.340 5.750 -0.410 1 1 1178 . 2 1 1 A 97 97 TYR C C 120 175.900 172.754 3.146 1 1 1179 . 2 1 1 A 97 97 TYR CA C 120 55.600 55.185 0.415 1 1 1180 . 2 1 1 A 97 97 TYR CB C 120 41.400 41.048 0.352 1 1 1185 . 2 1 1 A 97 97 TYR N N 120 122.800 122.878 -0.078 1 1 1186 . 2 1 1 A 98 98 VAL H H 121 9.040 8.819 0.221 1 1 1187 . 2 1 1 A 98 98 VAL HA H 121 5.010 4.851 0.159 1 1 1195 . 2 1 1 A 98 98 VAL C C 121 176.900 175.551 1.349 1 1 1196 . 2 1 1 A 98 98 VAL CA C 121 61.100 59.714 1.386 1 1 1197 . 2 1 1 A 98 98 VAL CB C 121 33.000 34.440 -1.440 1 1 1200 . 2 1 1 A 98 98 VAL N N 121 121.400 120.643 0.757 1 1 1201 . 2 1 1 A 99 99 ASN H H 122 10.100 9.083 1.017 1 1 1202 . 2 1 1 A 99 99 ASN HA H 122 4.440 4.440 0.000 1 1 1207 . 2 1 1 A 99 99 ASN C C 122 174.500 175.156 -0.656 1 1 1208 . 2 1 1 A 99 99 ASN CA C 122 55.000 55.482 -0.482 1 1 1209 . 2 1 1 A 99 99 ASN CB C 122 37.000 37.366 -0.366 1 1 1211 . 2 1 1 A 99 99 ASN N N 122 129.400 123.936 5.464 1 1 1213 . 2 1 1 A 100 100 ARG H H 123 9.290 8.551 0.739 1 1 1214 . 2 1 1 A 100 100 ARG HA H 123 3.680 4.452 -0.772 1 1 1222 . 2 1 1 A 100 100 ARG C C 123 175.200 174.700 0.500 1 1 1223 . 2 1 1 A 100 100 ARG CA C 123 58.100 55.424 2.676 1 1 1224 . 2 1 1 A 100 100 ARG CB C 123 27.600 31.361 -3.761 1 1 1227 . 2 1 1 A 100 100 ARG N N 123 106.100 123.829 -17.729 1 1 1229 . 2 1 1 A 101 101 GLU H H 124 7.970 8.097 -0.127 1 1 1230 . 2 1 1 A 101 101 GLU HA H 124 5.110 4.792 0.318 1 1 1235 . 2 1 1 A 101 101 GLU CA C 124 53.000 53.872 -0.872 1 1 1236 . 2 1 1 A 101 101 GLU CB C 124 30.900 30.427 0.473 1 1 1238 . 2 1 1 A 101 101 GLU N N 124 121.300 118.946 2.354 1 1 1239 . 2 1 1 A 102 102 PRO HA H 125 4.050 4.688 -0.638 1 1 1246 . 2 1 1 A 102 102 PRO C C 125 177.500 176.351 1.149 1 1 1247 . 2 1 1 A 102 102 PRO CA C 125 62.300 63.151 -0.851 1 1 1248 . 2 1 1 A 102 102 PRO CB C 125 31.300 32.329 -1.029 1 1 1251 . 2 1 1 A 103 103 VAL H H 126 8.330 8.115 0.215 1 1 1252 . 2 1 1 A 103 103 VAL HA H 126 4.700 4.733 -0.033 1 1 1260 . 2 1 1 A 103 103 VAL C C 126 174.500 175.492 -0.992 1 1 1261 . 2 1 1 A 103 103 VAL CA C 126 58.900 59.780 -0.880 1 1 1262 . 2 1 1 A 103 103 VAL CB C 126 35.300 35.346 -0.046 1 1 1265 . 2 1 1 A 103 103 VAL N N 126 115.000 116.920 -1.920 1 1 1266 . 2 1 1 A 104 104 ASP H H 127 8.520 9.013 -0.493 1 1 1267 . 2 1 1 A 104 104 ASP HA H 127 4.780 4.414 0.366 1 1 1270 . 2 1 1 A 104 104 ASP C C 127 176.200 175.547 0.653 1 1 1271 . 2 1 1 A 104 104 ASP CA C 127 55.800 56.683 -0.883 1 1 1272 . 2 1 1 A 104 104 ASP CB C 127 41.100 41.197 -0.097 1 1 1273 . 2 1 1 A 104 104 ASP N N 127 120.800 122.172 -1.372 1 1 1274 . 2 1 1 A 105 105 SER H H 128 7.650 7.758 -0.108 1 1 1275 . 2 1 1 A 105 105 SER HA H 128 5.440 5.007 0.433 1 1 1278 . 2 1 1 A 105 105 SER C C 128 173.400 172.348 1.052 1 1 1279 . 2 1 1 A 105 105 SER CA C 128 56.600 57.660 -1.060 1 1 1280 . 2 1 1 A 105 105 SER CB C 128 65.000 66.653 -1.653 1 1 1281 . 2 1 1 A 105 105 SER N N 128 111.500 111.468 0.032 1 1 1282 . 2 1 1 A 106 106 ALA H H 129 8.790 8.364 0.426 1 1 1283 . 2 1 1 A 106 106 ALA HA H 129 4.610 4.970 -0.360 1 1 1287 . 2 1 1 A 106 106 ALA C C 129 175.300 176.235 -0.935 1 1 1288 . 2 1 1 A 106 106 ALA CA C 129 52.100 51.199 0.901 1 1 1289 . 2 1 1 A 106 106 ALA CB C 129 22.600 23.517 -0.917 1 1 1290 . 2 1 1 A 106 106 ALA N N 129 125.100 123.441 1.659 1 1 1291 . 2 1 1 A 107 107 VAL H H 130 8.340 8.806 -0.466 1 1 1292 . 2 1 1 A 107 107 VAL HA H 130 4.160 4.474 -0.314 1 1 1300 . 2 1 1 A 107 107 VAL C C 130 176.300 175.782 0.518 1 1 1301 . 2 1 1 A 107 107 VAL CA C 130 62.600 61.391 1.209 1 1 1302 . 2 1 1 A 107 107 VAL CB C 130 32.000 33.057 -1.057 1 1 1305 . 2 1 1 A 107 107 VAL N N 130 122.800 119.113 3.687 1 1 1306 . 2 1 1 A 108 108 LEU H H 131 8.490 8.558 -0.068 1 1 1307 . 2 1 1 A 108 108 LEU HA H 131 4.370 4.266 0.104 1 1 1317 . 2 1 1 A 108 108 LEU C C 131 175.200 175.737 -0.537 1 1 1318 . 2 1 1 A 108 108 LEU CA C 131 54.200 54.673 -0.473 1 1 1319 . 2 1 1 A 108 108 LEU CB C 131 43.000 41.956 1.044 1 1 1323 . 2 1 1 A 108 108 LEU N N 131 128.900 128.031 0.869 1 1 1324 . 2 1 1 A 109 109 ALA H H 132 9.130 8.113 1.017 1 1 1325 . 2 1 1 A 109 109 ALA HA H 132 4.750 4.875 -0.125 1 1 1329 . 2 1 1 A 109 109 ALA C C 132 176.500 176.486 0.014 1 1 1330 . 2 1 1 A 109 109 ALA CA C 132 49.700 50.027 -0.327 1 1 1331 . 2 1 1 A 109 109 ALA CB C 132 22.400 23.238 -0.838 1 1 1332 . 2 1 1 A 109 109 ALA N N 132 126.000 122.555 3.445 1 1 1333 . 2 1 1 A 110 110 ASN H H 133 8.860 8.716 0.144 1 1 1334 . 2 1 1 A 110 110 ASN HA H 133 4.430 4.921 -0.491 1 1 1339 . 2 1 1 A 110 110 ASN C C 133 176.400 176.201 0.199 1 1 1340 . 2 1 1 A 110 110 ASN CA C 133 56.400 54.947 1.453 1 1 1341 . 2 1 1 A 110 110 ASN CB C 133 39.800 38.029 1.771 1 1 1343 . 2 1 1 A 110 110 ASN N N 133 117.600 118.986 -1.386 1 1 1345 . 2 1 1 A 111 111 GLY H H 134 10.100 9.142 0.958 1 1 1346 . 2 1 1 A 111 111 GLY HA2 H 134 4.430 4.001 0.429 1 1 1347 . 2 1 1 A 111 111 GLY HA3 H 134 3.410 4.012 -0.602 1 1 1348 . 2 1 1 A 111 111 GLY C C 134 174.800 174.191 0.609 1 1 1349 . 2 1 1 A 111 111 GLY CA C 134 45.100 46.651 -1.551 1 1 1350 . 2 1 1 A 111 111 GLY N N 134 117.200 112.517 4.683 1 1 1351 . 2 1 1 A 112 112 ASP H H 135 8.640 7.911 0.729 1 1 1352 . 2 1 1 A 112 112 ASP HA H 135 4.430 4.962 -0.532 1 1 1355 . 2 1 1 A 112 112 ASP C C 135 174.700 174.956 -0.256 1 1 1356 . 2 1 1 A 112 112 ASP CA C 135 56.200 53.396 2.804 1 1 1357 . 2 1 1 A 112 112 ASP CB C 135 42.100 42.499 -0.399 1 1 1358 . 2 1 1 A 112 112 ASP N N 135 122.900 120.950 1.950 1 1 1359 . 2 1 1 A 113 113 GLU H H 136 8.360 8.748 -0.388 1 1 1360 . 2 1 1 A 113 113 GLU HA H 136 5.220 4.967 0.253 1 1 1365 . 2 1 1 A 113 113 GLU C C 136 176.000 175.294 0.706 1 1 1366 . 2 1 1 A 113 113 GLU CA C 136 54.400 54.873 -0.473 1 1 1367 . 2 1 1 A 113 113 GLU CB C 136 32.900 31.882 1.018 1 1 1369 . 2 1 1 A 113 113 GLU N N 136 119.000 123.853 -4.853 1 1 1370 . 2 1 1 A 114 114 VAL H H 137 9.800 8.872 0.928 1 1 1371 . 2 1 1 A 114 114 VAL HA H 137 5.160 4.754 0.406 1 1 1379 . 2 1 1 A 114 114 VAL C C 137 174.400 174.616 -0.216 1 1 1380 . 2 1 1 A 114 114 VAL CA C 137 60.400 60.813 -0.413 1 1 1381 . 2 1 1 A 114 114 VAL CB C 137 34.300 34.825 -0.525 1 1 1384 . 2 1 1 A 114 114 VAL N N 137 129.000 126.120 2.880 1 1 1385 . 2 1 1 A 115 115 GLN H H 138 9.610 8.798 0.812 1 1 1386 . 2 1 1 A 115 115 GLN HA H 138 5.430 5.203 0.227 1 1 1393 . 2 1 1 A 115 115 GLN C C 138 174.800 173.943 0.857 1 1 1394 . 2 1 1 A 115 115 GLN CA C 138 54.500 54.110 0.390 1 1 1395 . 2 1 1 A 115 115 GLN CB C 138 30.700 31.855 -1.155 1 1 1398 . 2 1 1 A 115 115 GLN N N 138 129.300 127.272 2.028 1 1 1399 . 2 1 1 A 116 116 ILE H H 139 8.400 8.535 -0.135 1 1 1400 . 2 1 1 A 116 116 ILE HA H 139 4.020 4.353 -0.333 1 1 1410 . 2 1 1 A 116 116 ILE C C 139 174.500 176.182 -1.682 1 1 1411 . 2 1 1 A 116 116 ILE CA C 139 60.600 59.963 0.637 1 1 1412 . 2 1 1 A 116 116 ILE CB C 139 40.900 40.270 0.630 1 1 1416 . 2 1 1 A 116 116 ILE N N 139 128.300 126.860 1.440 1 1 1417 . 2 1 1 A 117 117 GLY H H 140 9.650 8.576 1.074 1 1 1418 . 2 1 1 A 117 117 GLY HA2 H 140 3.820 3.875 -0.055 1 1 1419 . 2 1 1 A 117 117 GLY HA3 H 140 3.630 3.881 -0.251 1 1 1420 . 2 1 1 A 117 117 GLY C C 140 175.400 174.911 0.489 1 1 1421 . 2 1 1 A 117 117 GLY CA C 140 46.500 46.927 -0.427 1 1 1422 . 2 1 1 A 117 117 GLY N N 140 116.800 115.589 1.211 1 1 1423 . 2 1 1 A 118 118 LYS H H 141 7.960 8.796 -0.836 1 1 1424 . 2 1 1 A 118 118 LYS HA H 141 4.070 4.259 -0.189 1 1 1433 . 2 1 1 A 118 118 LYS C C 141 175.600 176.630 -1.030 1 1 1434 . 2 1 1 A 118 118 LYS CA C 141 56.700 57.469 -0.769 1 1 1435 . 2 1 1 A 118 118 LYS CB C 141 32.600 32.911 -0.311 1 1 1439 . 2 1 1 A 118 118 LYS N N 141 122.400 126.056 -3.656 1 1 1440 . 2 1 1 A 119 119 PHE H H 142 8.260 7.528 0.732 1 1 1441 . 2 1 1 A 119 119 PHE HA H 142 4.540 4.903 -0.363 1 1 1449 . 2 1 1 A 119 119 PHE C C 142 174.700 174.830 -0.130 1 1 1450 . 2 1 1 A 119 119 PHE CA C 142 58.200 57.400 0.800 1 1 1451 . 2 1 1 A 119 119 PHE CB C 142 39.900 41.147 -1.247 1 1 1456 . 2 1 1 A 119 119 PHE N N 142 119.500 117.363 2.137 1 1 1457 . 2 1 1 A 120 120 ARG H H 143 8.690 8.970 -0.280 1 1 1458 . 2 1 1 A 120 120 ARG HA H 143 5.020 5.147 -0.127 1 1 1465 . 2 1 1 A 120 120 ARG C C 143 174.800 174.659 0.141 1 1 1466 . 2 1 1 A 120 120 ARG CA C 143 55.100 54.502 0.598 1 1 1467 . 2 1 1 A 120 120 ARG CB C 143 32.800 33.701 -0.901 1 1 1470 . 2 1 1 A 120 120 ARG N N 143 121.500 122.578 -1.078 1 1 1471 . 2 1 1 A 121 121 LEU H H 144 9.760 9.083 0.677 1 1 1472 . 2 1 1 A 121 121 LEU HA H 144 5.420 5.284 0.136 1 1 1482 . 2 1 1 A 121 121 LEU C C 144 175.000 175.405 -0.405 1 1 1483 . 2 1 1 A 121 121 LEU CA C 144 53.900 53.537 0.363 1 1 1484 . 2 1 1 A 121 121 LEU CB C 144 44.900 45.503 -0.603 1 1 1488 . 2 1 1 A 121 121 LEU N N 144 126.400 127.323 -0.923 1 1 1489 . 2 1 1 A 122 122 VAL H H 145 9.370 8.867 0.503 1 1 1490 . 2 1 1 A 122 122 VAL HA H 145 5.010 5.103 -0.093 1 1 1498 . 2 1 1 A 122 122 VAL C C 145 173.700 173.773 -0.073 1 1 1499 . 2 1 1 A 122 122 VAL CA C 145 60.800 59.459 1.341 1 1 1500 . 2 1 1 A 122 122 VAL CB C 145 34.300 34.994 -0.694 1 1 1503 . 2 1 1 A 122 122 VAL N N 145 121.900 122.155 -0.255 1 1 1504 . 2 1 1 A 123 123 PHE H H 146 8.830 8.803 0.027 1 1 1505 . 2 1 1 A 123 123 PHE HA H 146 4.980 4.759 0.221 1 1 1513 . 2 1 1 A 123 123 PHE C C 146 172.700 174.128 -1.428 1 1 1514 . 2 1 1 A 123 123 PHE CA C 146 57.100 56.950 0.150 1 1 1515 . 2 1 1 A 123 123 PHE CB C 146 41.100 39.673 1.427 1 1 1521 . 2 1 1 A 123 123 PHE N N 146 128.700 129.586 -0.886 1 1 1522 . 2 1 1 A 124 124 LEU H H 147 8.650 8.193 0.457 1 1 1523 . 2 1 1 A 124 124 LEU HA H 147 5.020 4.821 0.199 1 1 1533 . 2 1 1 A 124 124 LEU C C 147 175.300 175.701 -0.401 1 1 1534 . 2 1 1 A 124 124 LEU CA C 147 52.600 53.230 -0.630 1 1 1535 . 2 1 1 A 124 124 LEU CB C 147 45.600 45.606 -0.006 1 1 1539 . 2 1 1 A 124 124 LEU N N 147 128.000 128.900 -0.900 1 1 1540 . 2 1 1 A 125 125 THR H H 148 8.300 8.419 -0.119 1 1 1541 . 2 1 1 A 125 125 THR HA H 148 4.330 4.993 -0.663 1 1 1546 . 2 1 1 A 125 125 THR C C 148 173.900 176.055 -2.155 1 1 1547 . 2 1 1 A 125 125 THR CA C 148 60.200 60.130 0.070 1 1 1548 . 2 1 1 A 125 125 THR CB C 148 70.300 70.903 -0.603 1 1 1550 . 2 1 1 A 125 125 THR N N 148 110.600 114.089 -3.489 1 1 1551 . 2 1 1 A 126 126 GLY H H 149 8.310 8.639 -0.329 1 1 1552 . 2 1 1 A 126 126 GLY HA2 H 149 3.840 3.819 0.021 1 1 1553 . 2 1 1 A 126 126 GLY HA3 H 149 3.840 3.830 0.010 1 1 1554 . 2 1 1 A 126 126 GLY CA C 149 45.200 45.966 -0.766 1 1 1555 . 2 1 1 A 126 126 GLY N N 149 109.800 110.303 -0.503 1 1 1556 . 2 1 1 A 127 127 HIS H H 150 8.310 7.840 0.470 1 1 1557 . 2 1 1 A 127 127 HIS HA H 150 4.630 4.934 -0.304 1 1 1562 . 2 1 1 A 127 127 HIS C C 150 174.800 172.959 1.841 1 1 1563 . 2 1 1 A 127 127 HIS CA C 150 55.900 54.294 1.606 1 1 1564 . 2 1 1 A 127 127 HIS CB C 150 30.700 31.839 -1.139 1 1 1567 . 2 1 1 A 127 127 HIS N N 150 119.300 119.419 -0.119 1 1 1570 . 2 1 1 A 128 128 LYS H H 151 8.490 8.683 -0.193 1 1 1571 . 2 1 1 A 128 128 LYS HA H 151 4.300 4.558 -0.258 1 1 1580 . 2 1 1 A 128 128 LYS C C 151 176.200 175.178 1.022 1 1 1581 . 2 1 1 A 128 128 LYS CA C 151 56.100 56.153 -0.053 1 1 1582 . 2 1 1 A 128 128 LYS CB C 151 33.200 33.228 -0.028 1 1 1586 . 2 1 1 A 128 128 LYS N N 151 123.800 128.480 -4.680 1 1 1587 . 2 1 1 A 129 129 GLN H H 152 8.640 8.594 0.046 1 1 1588 . 2 1 1 A 129 129 GLN HA H 152 4.270 4.725 -0.455 1 1 1595 . 2 1 1 A 129 129 GLN C C 152 176.500 174.581 1.919 1 1 1596 . 2 1 1 A 129 129 GLN CA C 152 56.400 54.544 1.856 1 1 1597 . 2 1 1 A 129 129 GLN CB C 152 29.500 31.309 -1.809 1 1 1600 . 2 1 1 A 129 129 GLN N N 152 122.900 122.376 0.524 1 1 1602 . 2 1 1 A 130 130 GLY H H 153 8.640 8.705 -0.065 1 1 1603 . 2 1 1 A 130 130 GLY HA2 H 153 3.990 3.985 0.005 1 1 1604 . 2 1 1 A 130 130 GLY HA3 H 153 3.910 3.987 -0.077 1 1 1605 . 2 1 1 A 130 130 GLY C C 153 174.100 174.144 -0.044 1 1 1606 . 2 1 1 A 130 130 GLY CA C 153 45.400 45.182 0.218 1 1 1607 . 2 1 1 A 130 130 GLY N N 153 111.100 109.430 1.670 1 1 1608 . 2 1 1 A 131 131 GLU H H 154 8.220 8.057 0.163 1 1 1609 . 2 1 1 A 131 131 GLU HA H 154 4.260 4.472 -0.212 1 1 1614 . 2 1 1 A 131 131 GLU C C 154 176.100 175.564 0.536 1 1 1615 . 2 1 1 A 131 131 GLU CA C 154 56.600 56.016 0.584 1 1 1616 . 2 1 1 A 131 131 GLU CB C 154 30.600 31.453 -0.853 1 1 1618 . 2 1 1 A 131 131 GLU N N 154 120.500 117.778 2.722 1 1 1619 . 2 1 1 A 132 132 ASP H H 155 8.530 7.598 0.932 1 1 1620 . 2 1 1 A 132 132 ASP HA H 155 4.560 4.624 -0.064 1 1 1623 . 2 1 1 A 132 132 ASP C C 155 176.300 176.201 0.099 1 1 1624 . 2 1 1 A 132 132 ASP CA C 155 54.300 54.367 -0.067 1 1 1625 . 2 1 1 A 132 132 ASP CB C 155 41.000 41.176 -0.176 1 1 1626 . 2 1 1 A 132 132 ASP N N 155 121.300 120.568 0.732 1 1 1627 . 2 1 1 A 133 133 LEU H H 156 8.230 8.693 -0.463 1 1 1628 . 2 1 1 A 133 133 LEU HA H 156 4.200 4.480 -0.280 1 1 1638 . 2 1 1 A 133 133 LEU C C 156 177.700 177.051 0.649 1 1 1639 . 2 1 1 A 133 133 LEU CA C 156 55.500 54.741 0.759 1 1 1640 . 2 1 1 A 133 133 LEU CB C 156 42.100 42.237 -0.137 1 1 1644 . 2 1 1 A 133 133 LEU N N 156 122.500 122.424 0.076 1 1 1645 . 2 1 1 A 134 134 GLU H H 157 8.270 8.801 -0.531 1 1 1646 . 2 1 1 A 134 134 GLU HA H 157 4.100 4.425 -0.325 1 1 1651 . 2 1 1 A 134 134 GLU C C 157 177.300 176.504 0.796 1 1 1652 . 2 1 1 A 134 134 GLU CA C 157 56.900 57.202 -0.302 1 1 1653 . 2 1 1 A 134 134 GLU CB C 157 30.000 30.163 -0.163 1 1 1655 . 2 1 1 A 134 134 GLU N N 157 119.800 122.425 -2.625 1 1 1656 . 2 1 1 A 135 135 HIS H H 158 8.150 7.818 0.332 1 1 1657 . 2 1 1 A 135 135 HIS HA H 158 4.530 4.661 -0.131 1 1 1662 . 2 1 1 A 135 135 HIS CA C 158 56.100 56.447 -0.347 1 1 1663 . 2 1 1 A 135 135 HIS CB C 158 30.000 31.019 -1.019 1 1 1664 . 2 1 1 A 135 135 HIS N N 158 118.500 121.323 -2.823 1 1 1665 . 2 1 1 A 139 139 HIS HA H 162 4.590 4.210 0.380 1 1 1668 . 2 1 1 A 139 139 HIS C C 162 173.900 175.934 -2.034 1 1 1669 . 2 1 1 A 139 139 HIS CA C 162 55.900 57.672 -1.772 1 1 1670 . 2 1 1 A 139 139 HIS CB C 162 30.100 30.674 -0.574 1 1 15 . 3 1 1 A 2 2 PHE H H 25 8.640 8.761 -0.121 1 1 16 . 3 1 1 A 2 2 PHE HA H 25 4.630 4.716 -0.086 1 1 24 . 3 1 1 A 2 2 PHE C C 25 175.000 175.718 -0.718 1 1 25 . 3 1 1 A 2 2 PHE CA C 25 58.000 57.971 0.029 1 1 26 . 3 1 1 A 2 2 PHE CB C 25 39.700 39.384 0.316 1 1 31 . 3 1 1 A 3 3 ARG H H 26 8.210 8.559 -0.349 1 1 32 . 3 1 1 A 3 3 ARG HA H 26 4.200 4.278 -0.078 1 1 40 . 3 1 1 A 3 3 ARG C C 26 175.100 176.032 -0.932 1 1 41 . 3 1 1 A 3 3 ARG CA C 26 55.600 56.452 -0.852 1 1 42 . 3 1 1 A 3 3 ARG CB C 26 31.300 30.520 0.780 1 1 45 . 3 1 1 A 3 3 ARG N N 26 125.000 121.663 3.337 1 1 47 . 3 1 1 A 4 4 ALA H H 27 8.260 8.408 -0.148 1 1 48 . 3 1 1 A 4 4 ALA HA H 27 4.090 4.405 -0.315 1 1 52 . 3 1 1 A 4 4 ALA C C 27 177.300 177.104 0.196 1 1 53 . 3 1 1 A 4 4 ALA CA C 27 52.800 52.992 -0.192 1 1 54 . 3 1 1 A 4 4 ALA CB C 27 19.200 19.208 -0.008 1 1 55 . 3 1 1 A 4 4 ALA N N 27 125.400 124.568 0.832 1 1 56 . 3 1 1 A 5 5 ASP H H 28 8.260 8.928 -0.668 1 1 57 . 3 1 1 A 5 5 ASP HA H 28 4.470 4.776 -0.306 1 1 60 . 3 1 1 A 5 5 ASP C C 28 176.200 176.738 -0.538 1 1 61 . 3 1 1 A 5 5 ASP CA C 28 54.500 54.475 0.025 1 1 62 . 3 1 1 A 5 5 ASP CB C 28 40.700 40.827 -0.127 1 1 63 . 3 1 1 A 5 5 ASP N N 28 118.200 121.897 -3.697 1 1 64 . 3 1 1 A 6 6 PHE H H 29 7.930 8.418 -0.488 1 1 65 . 3 1 1 A 6 6 PHE HA H 29 4.510 4.813 -0.303 1 1 73 . 3 1 1 A 6 6 PHE C C 29 175.700 176.129 -0.429 1 1 74 . 3 1 1 A 6 6 PHE CA C 29 58.000 57.231 0.769 1 1 75 . 3 1 1 A 6 6 PHE CB C 29 39.300 41.248 -1.948 1 1 81 . 3 1 1 A 6 6 PHE N N 29 119.400 119.004 0.396 1 1 82 . 3 1 1 A 7 7 LEU H H 30 8.000 6.750 1.250 1 1 83 . 3 1 1 A 7 7 LEU HA H 30 4.210 4.354 -0.144 1 1 93 . 3 1 1 A 7 7 LEU C C 30 177.400 176.195 1.205 1 1 94 . 3 1 1 A 7 7 LEU CA C 30 55.400 54.651 0.749 1 1 95 . 3 1 1 A 7 7 LEU CB C 30 42.200 42.552 -0.352 1 1 99 . 3 1 1 A 7 7 LEU N N 30 122.100 115.297 6.803 1 1 100 . 3 1 1 A 8 8 SER H H 31 8.130 7.605 0.525 1 1 101 . 3 1 1 A 8 8 SER HA H 31 4.330 4.498 -0.168 1 1 104 . 3 1 1 A 8 8 SER C C 31 174.900 172.557 2.343 1 1 105 . 3 1 1 A 8 8 SER CA C 31 58.800 57.126 1.674 1 1 106 . 3 1 1 A 8 8 SER CB C 31 63.800 61.952 1.848 1 1 107 . 3 1 1 A 8 8 SER N N 31 116.000 115.244 0.756 1 1 108 . 3 1 1 A 9 9 GLU H H 32 8.380 8.079 0.301 1 1 109 . 3 1 1 A 9 9 GLU HA H 32 4.240 4.757 -0.517 1 1 114 . 3 1 1 A 9 9 GLU C C 32 176.600 176.399 0.201 1 1 115 . 3 1 1 A 9 9 GLU CA C 32 57.000 55.513 1.487 1 1 116 . 3 1 1 A 9 9 GLU CB C 32 30.000 30.547 -0.547 1 1 118 . 3 1 1 A 9 9 GLU N N 32 122.200 121.718 0.482 1 1 119 . 3 1 1 A 10 10 LEU H H 33 7.990 8.866 -0.876 1 1 120 . 3 1 1 A 10 10 LEU HA H 33 4.220 4.370 -0.150 1 1 130 . 3 1 1 A 10 10 LEU C C 33 177.100 176.543 0.557 1 1 131 . 3 1 1 A 10 10 LEU CA C 33 55.500 54.782 0.718 1 1 132 . 3 1 1 A 10 10 LEU CB C 33 42.200 42.032 0.168 1 1 136 . 3 1 1 A 10 10 LEU N N 33 121.200 124.311 -3.111 1 1 137 . 3 1 1 A 11 11 ASP H H 34 8.090 8.196 -0.106 1 1 138 . 3 1 1 A 11 11 ASP HA H 34 4.550 4.482 0.068 1 1 141 . 3 1 1 A 11 11 ASP C C 34 175.400 175.691 -0.291 1 1 142 . 3 1 1 A 11 11 ASP CA C 34 54.200 57.008 -2.808 1 1 143 . 3 1 1 A 11 11 ASP CB C 34 41.300 40.261 1.039 1 1 144 . 3 1 1 A 11 11 ASP N N 34 120.000 119.185 0.815 1 1 145 . 3 1 1 A 12 12 ALA H H 35 7.950 8.039 -0.089 1 1 146 . 3 1 1 A 12 12 ALA HA H 35 4.510 4.605 -0.095 1 1 150 . 3 1 1 A 12 12 ALA CA C 35 50.800 50.430 0.370 1 1 151 . 3 1 1 A 12 12 ALA CB C 35 18.300 19.437 -1.137 1 1 152 . 3 1 1 A 12 12 ALA N N 35 124.600 123.181 1.419 1 1 153 . 3 1 1 A 13 13 PRO HA H 36 4.360 4.419 -0.059 1 1 160 . 3 1 1 A 13 13 PRO C C 36 176.900 176.798 0.102 1 1 161 . 3 1 1 A 13 13 PRO CA C 36 63.200 63.329 -0.129 1 1 162 . 3 1 1 A 13 13 PRO CB C 36 32.000 32.164 -0.164 1 1 165 . 3 1 1 A 14 14 ALA H H 37 8.390 8.640 -0.250 1 1 166 . 3 1 1 A 14 14 ALA HA H 37 4.230 3.874 0.356 1 1 170 . 3 1 1 A 14 14 ALA C C 37 177.900 177.289 0.611 1 1 171 . 3 1 1 A 14 14 ALA CA C 37 52.600 54.095 -1.495 1 1 172 . 3 1 1 A 14 14 ALA CB C 37 19.300 17.776 1.524 1 1 173 . 3 1 1 A 14 14 ALA N N 37 123.900 122.212 1.688 1 1 174 . 3 1 1 A 15 15 GLN H H 38 8.330 8.656 -0.326 1 1 175 . 3 1 1 A 15 15 GLN HA H 38 4.280 4.375 -0.095 1 1 182 . 3 1 1 A 15 15 GLN C C 38 175.800 175.255 0.545 1 1 183 . 3 1 1 A 15 15 GLN CA C 38 55.700 54.822 0.878 1 1 184 . 3 1 1 A 15 15 GLN CB C 38 29.600 28.130 1.470 1 1 187 . 3 1 1 A 15 15 GLN N N 38 119.300 119.190 0.110 1 1 189 . 3 1 1 A 16 16 ALA H H 39 8.410 7.900 0.510 1 1 190 . 3 1 1 A 16 16 ALA HA H 39 4.070 4.025 0.045 1 1 194 . 3 1 1 A 16 16 ALA C C 39 178.200 177.168 1.032 1 1 195 . 3 1 1 A 16 16 ALA CA C 39 52.800 52.737 0.063 1 1 196 . 3 1 1 A 16 16 ALA CB C 39 19.300 17.841 1.459 1 1 197 . 3 1 1 A 16 16 ALA N N 39 125.600 121.146 4.454 1 1 198 . 3 1 1 A 17 17 GLY H H 40 8.510 8.440 0.070 1 1 199 . 3 1 1 A 17 17 GLY HA2 H 40 4.010 4.031 -0.021 1 1 200 . 3 1 1 A 17 17 GLY HA3 H 40 4.010 4.032 -0.022 1 1 201 . 3 1 1 A 17 17 GLY C C 40 174.600 174.654 -0.054 1 1 202 . 3 1 1 A 17 17 GLY CA C 40 45.400 45.534 -0.134 1 1 203 . 3 1 1 A 17 17 GLY N N 40 108.500 109.894 -1.394 1 1 204 . 3 1 1 A 18 18 THR H H 41 8.020 8.686 -0.666 1 1 205 . 3 1 1 A 18 18 THR HA H 41 4.320 4.001 0.319 1 1 210 . 3 1 1 A 18 18 THR C C 41 174.900 174.893 0.007 1 1 211 . 3 1 1 A 18 18 THR CA C 41 62.100 66.258 -4.158 1 1 212 . 3 1 1 A 18 18 THR CB C 41 69.900 69.199 0.701 1 1 214 . 3 1 1 A 18 18 THR N N 41 112.900 115.920 -3.020 1 1 215 . 3 1 1 A 19 19 GLU H H 42 8.630 8.213 0.417 1 1 216 . 3 1 1 A 19 19 GLU HA H 42 4.300 3.927 0.373 1 1 221 . 3 1 1 A 19 19 GLU C C 42 176.600 176.173 0.427 1 1 222 . 3 1 1 A 19 19 GLU CA C 42 56.900 57.923 -1.023 1 1 223 . 3 1 1 A 19 19 GLU CB C 42 30.000 29.458 0.542 1 1 225 . 3 1 1 A 19 19 GLU N N 42 123.000 121.287 1.713 1 1 226 . 3 1 1 A 20 20 SER H H 43 8.330 7.985 0.345 1 1 227 . 3 1 1 A 20 20 SER HA H 43 4.400 4.547 -0.147 1 1 230 . 3 1 1 A 20 20 SER C C 43 174.300 174.328 -0.028 1 1 231 . 3 1 1 A 20 20 SER CA C 43 58.500 58.174 0.326 1 1 232 . 3 1 1 A 20 20 SER CB C 43 63.900 64.839 -0.939 1 1 233 . 3 1 1 A 20 20 SER N N 43 116.600 116.785 -0.185 1 1 234 . 3 1 1 A 21 21 ALA H H 44 8.320 8.781 -0.461 1 1 235 . 3 1 1 A 21 21 ALA HA H 44 4.300 4.672 -0.372 1 1 239 . 3 1 1 A 21 21 ALA C C 44 177.700 176.830 0.870 1 1 240 . 3 1 1 A 21 21 ALA CA C 44 52.700 51.481 1.219 1 1 241 . 3 1 1 A 21 21 ALA CB C 44 19.300 19.718 -0.418 1 1 242 . 3 1 1 A 21 21 ALA N N 44 126.000 122.574 3.426 1 1 243 . 3 1 1 A 22 22 VAL H H 45 8.040 7.559 0.481 1 1 244 . 3 1 1 A 22 22 VAL HA H 45 4.100 4.213 -0.113 1 1 252 . 3 1 1 A 22 22 VAL C C 45 176.100 175.819 0.281 1 1 253 . 3 1 1 A 22 22 VAL CA C 45 62.300 61.589 0.711 1 1 254 . 3 1 1 A 22 22 VAL CB C 45 32.700 32.797 -0.097 1 1 257 . 3 1 1 A 22 22 VAL N N 45 118.100 117.836 0.264 1 1 258 . 3 1 1 A 23 23 SER H H 46 8.370 8.646 -0.276 1 1 259 . 3 1 1 A 23 23 SER HA H 46 4.410 4.550 -0.140 1 1 262 . 3 1 1 A 23 23 SER C C 46 174.900 174.503 0.397 1 1 263 . 3 1 1 A 23 23 SER CA C 46 58.500 59.175 -0.675 1 1 264 . 3 1 1 A 23 23 SER CB C 46 63.900 63.757 0.143 1 1 265 . 3 1 1 A 23 23 SER N N 46 119.100 121.008 -1.908 1 1 266 . 3 1 1 A 24 24 GLY H H 47 8.370 8.139 0.231 1 1 267 . 3 1 1 A 24 24 GLY HA2 H 47 3.950 4.156 -0.206 1 1 268 . 3 1 1 A 24 24 GLY HA3 H 47 3.950 4.162 -0.212 1 1 269 . 3 1 1 A 24 24 GLY C C 47 174.200 173.274 0.926 1 1 270 . 3 1 1 A 24 24 GLY CA C 47 45.400 46.237 -0.837 1 1 271 . 3 1 1 A 24 24 GLY N N 47 110.500 110.670 -0.170 1 1 272 . 3 1 1 A 25 25 VAL H H 48 7.980 8.376 -0.396 1 1 273 . 3 1 1 A 25 25 VAL HA H 48 4.040 3.841 0.199 1 1 281 . 3 1 1 A 25 25 VAL C C 48 176.100 176.281 -0.181 1 1 282 . 3 1 1 A 25 25 VAL CA C 48 62.200 64.683 -2.483 1 1 283 . 3 1 1 A 25 25 VAL CB C 48 32.500 31.453 1.047 1 1 286 . 3 1 1 A 25 25 VAL N N 48 118.100 121.540 -3.440 1 1 287 . 3 1 1 A 26 26 GLU H H 49 8.580 8.316 0.264 1 1 288 . 3 1 1 A 26 26 GLU HA H 49 4.160 3.897 0.263 1 1 293 . 3 1 1 A 26 26 GLU C C 49 176.900 175.131 1.769 1 1 294 . 3 1 1 A 26 26 GLU CA C 49 57.400 57.364 0.036 1 1 295 . 3 1 1 A 26 26 GLU CB C 49 29.800 28.996 0.804 1 1 297 . 3 1 1 A 26 26 GLU N N 49 123.900 122.242 1.658 1 1 298 . 3 1 1 A 27 27 GLY H H 50 8.330 7.682 0.648 1 1 299 . 3 1 1 A 27 27 GLY HA2 H 50 3.890 4.030 -0.140 1 1 300 . 3 1 1 A 27 27 GLY HA3 H 50 3.830 4.038 -0.208 1 1 301 . 3 1 1 A 27 27 GLY C C 50 173.800 172.629 1.171 1 1 302 . 3 1 1 A 27 27 GLY CA C 50 45.200 45.740 -0.540 1 1 303 . 3 1 1 A 27 27 GLY N N 50 109.500 105.219 4.281 1 1 304 . 3 1 1 A 28 28 LEU H H 51 7.770 8.567 -0.797 1 1 305 . 3 1 1 A 28 28 LEU HA H 51 4.470 4.630 -0.160 1 1 315 . 3 1 1 A 28 28 LEU CA C 51 52.800 52.722 0.078 1 1 316 . 3 1 1 A 28 28 LEU CB C 51 42.200 42.140 0.060 1 1 320 . 3 1 1 A 28 28 LEU N N 51 123.000 126.599 -3.599 1 1 321 . 3 1 1 A 29 29 PRO HA H 52 4.660 4.594 0.066 1 1 328 . 3 1 1 A 29 29 PRO CA C 52 61.600 61.701 -0.101 1 1 329 . 3 1 1 A 29 29 PRO CB C 52 30.800 32.443 -1.643 1 1 332 . 3 1 1 A 30 30 PRO HA H 53 4.340 4.244 0.096 1 1 339 . 3 1 1 A 30 30 PRO C C 53 177.500 177.292 0.208 1 1 340 . 3 1 1 A 30 30 PRO CA C 53 63.500 63.686 -0.186 1 1 341 . 3 1 1 A 30 30 PRO CB C 53 32.000 31.691 0.309 1 1 344 . 3 1 1 A 31 31 GLY H H 54 8.690 8.853 -0.163 1 1 345 . 3 1 1 A 31 31 GLY HA2 H 54 4.060 3.816 0.244 1 1 346 . 3 1 1 A 31 31 GLY HA3 H 54 3.660 3.868 -0.208 1 1 347 . 3 1 1 A 31 31 GLY C C 54 172.900 173.835 -0.935 1 1 348 . 3 1 1 A 31 31 GLY CA C 54 45.400 45.295 0.105 1 1 349 . 3 1 1 A 31 31 GLY N N 54 110.100 111.630 -1.530 1 1 350 . 3 1 1 A 32 32 LEU H H 55 7.510 7.685 -0.175 1 1 351 . 3 1 1 A 32 32 LEU HA H 55 4.960 5.051 -0.091 1 1 361 . 3 1 1 A 32 32 LEU C C 55 175.400 176.405 -1.005 1 1 362 . 3 1 1 A 32 32 LEU CA C 55 54.100 53.773 0.327 1 1 363 . 3 1 1 A 32 32 LEU CB C 55 44.400 43.540 0.860 1 1 367 . 3 1 1 A 32 32 LEU N N 55 119.300 122.416 -3.116 1 1 368 . 3 1 1 A 33 33 ALA H H 56 7.840 8.780 -0.940 1 1 369 . 3 1 1 A 33 33 ALA HA H 56 4.500 4.990 -0.490 1 1 373 . 3 1 1 A 33 33 ALA C C 56 178.200 175.507 2.693 1 1 374 . 3 1 1 A 33 33 ALA CA C 56 51.100 50.489 0.611 1 1 375 . 3 1 1 A 33 33 ALA CB C 56 23.900 23.660 0.240 1 1 376 . 3 1 1 A 33 33 ALA N N 56 121.800 123.870 -2.070 1 1 377 . 3 1 1 A 34 34 LEU H H 57 8.640 8.049 0.591 1 1 378 . 3 1 1 A 34 34 LEU HA H 57 4.930 5.130 -0.200 1 1 388 . 3 1 1 A 34 34 LEU C C 57 174.400 174.981 -0.581 1 1 389 . 3 1 1 A 34 34 LEU CA C 57 53.400 52.801 0.599 1 1 390 . 3 1 1 A 34 34 LEU CB C 57 47.300 46.195 1.105 1 1 394 . 3 1 1 A 34 34 LEU N N 57 119.200 115.522 3.678 1 1 395 . 3 1 1 A 35 35 LEU H H 58 8.640 8.289 0.351 1 1 396 . 3 1 1 A 35 35 LEU HA H 58 5.440 5.336 0.104 1 1 406 . 3 1 1 A 35 35 LEU C C 58 176.200 175.815 0.385 1 1 407 . 3 1 1 A 35 35 LEU CA C 58 52.600 53.558 -0.958 1 1 408 . 3 1 1 A 35 35 LEU CB C 58 46.000 44.815 1.185 1 1 412 . 3 1 1 A 35 35 LEU N N 58 119.400 120.941 -1.541 1 1 413 . 3 1 1 A 36 36 VAL H H 59 8.960 8.936 0.024 1 1 414 . 3 1 1 A 36 36 VAL HA H 59 4.860 4.839 0.021 1 1 422 . 3 1 1 A 36 36 VAL C C 59 176.400 175.758 0.642 1 1 423 . 3 1 1 A 36 36 VAL CA C 59 59.900 60.110 -0.210 1 1 424 . 3 1 1 A 36 36 VAL CB C 59 34.600 34.816 -0.216 1 1 427 . 3 1 1 A 36 36 VAL N N 59 120.700 123.365 -2.665 1 1 428 . 3 1 1 A 37 37 VAL H H 60 8.830 8.716 0.114 1 1 429 . 3 1 1 A 37 37 VAL HA H 60 4.170 4.108 0.062 1 1 437 . 3 1 1 A 37 37 VAL C C 60 176.000 176.119 -0.119 1 1 438 . 3 1 1 A 37 37 VAL CA C 60 63.900 63.574 0.326 1 1 439 . 3 1 1 A 37 37 VAL CB C 60 31.400 31.096 0.304 1 1 442 . 3 1 1 A 37 37 VAL N N 60 125.700 126.990 -1.290 1 1 443 . 3 1 1 A 38 38 LYS H H 61 9.400 8.598 0.802 1 1 444 . 3 1 1 A 38 38 LYS HA H 61 4.450 4.147 0.303 1 1 453 . 3 1 1 A 38 38 LYS C C 61 176.000 175.982 0.018 1 1 454 . 3 1 1 A 38 38 LYS CA C 61 56.900 58.311 -1.411 1 1 455 . 3 1 1 A 38 38 LYS CB C 61 34.200 33.399 0.801 1 1 459 . 3 1 1 A 38 38 LYS N N 61 131.900 130.151 1.749 1 1 460 . 3 1 1 A 39 39 ARG H H 62 7.990 7.788 0.202 1 1 461 . 3 1 1 A 39 39 ARG HA H 62 4.700 4.771 -0.071 1 1 469 . 3 1 1 A 39 39 ARG C C 62 173.600 174.875 -1.275 1 1 470 . 3 1 1 A 39 39 ARG CA C 62 55.100 55.635 -0.535 1 1 471 . 3 1 1 A 39 39 ARG CB C 62 34.100 33.643 0.457 1 1 474 . 3 1 1 A 39 39 ARG N N 62 117.300 118.779 -1.479 1 1 476 . 3 1 1 A 40 40 GLY H H 63 8.480 8.410 0.070 1 1 477 . 3 1 1 A 40 40 GLY HA2 H 63 4.290 4.234 0.056 1 1 478 . 3 1 1 A 40 40 GLY HA3 H 63 3.580 4.323 -0.743 1 1 479 . 3 1 1 A 40 40 GLY CA C 63 43.800 45.051 -1.251 1 1 480 . 3 1 1 A 40 40 GLY N N 63 110.800 111.877 -1.077 1 1 481 . 3 1 1 A 41 41 PRO HA H 64 4.300 4.393 -0.093 1 1 488 . 3 1 1 A 41 41 PRO C C 64 175.900 177.463 -1.563 1 1 489 . 3 1 1 A 41 41 PRO CA C 64 64.400 65.126 -0.726 1 1 490 . 3 1 1 A 41 41 PRO CB C 64 31.500 31.954 -0.454 1 1 493 . 3 1 1 A 42 42 ASN H H 65 8.310 8.660 -0.350 1 1 494 . 3 1 1 A 42 42 ASN HA H 65 4.770 4.809 -0.039 1 1 499 . 3 1 1 A 42 42 ASN C C 65 177.500 175.486 2.014 1 1 500 . 3 1 1 A 42 42 ASN CA C 65 52.100 52.333 -0.233 1 1 501 . 3 1 1 A 42 42 ASN CB C 65 36.700 37.702 -1.002 1 1 503 . 3 1 1 A 42 42 ASN N N 65 114.500 113.633 0.867 1 1 505 . 3 1 1 A 43 43 ALA H H 66 7.470 7.688 -0.218 1 1 506 . 3 1 1 A 43 43 ALA HA H 66 3.690 4.122 -0.432 1 1 510 . 3 1 1 A 43 43 ALA C C 66 177.800 178.319 -0.519 1 1 511 . 3 1 1 A 43 43 ALA CA C 66 54.200 54.065 0.135 1 1 512 . 3 1 1 A 43 43 ALA CB C 66 17.700 18.540 -0.840 1 1 513 . 3 1 1 A 43 43 ALA N N 66 122.100 124.233 -2.133 1 1 514 . 3 1 1 A 44 44 GLY H H 67 9.120 8.797 0.323 1 1 515 . 3 1 1 A 44 44 GLY HA2 H 67 4.440 4.026 0.414 1 1 516 . 3 1 1 A 44 44 GLY HA3 H 67 3.490 4.027 -0.537 1 1 517 . 3 1 1 A 44 44 GLY C C 67 174.900 174.612 0.288 1 1 518 . 3 1 1 A 44 44 GLY CA C 67 44.600 45.325 -0.725 1 1 519 . 3 1 1 A 44 44 GLY N N 67 111.800 111.824 -0.024 1 1 520 . 3 1 1 A 45 45 SER H H 68 8.090 7.894 0.196 1 1 521 . 3 1 1 A 45 45 SER HA H 68 4.280 4.366 -0.086 1 1 524 . 3 1 1 A 45 45 SER C C 68 171.500 173.981 -2.481 1 1 525 . 3 1 1 A 45 45 SER CA C 68 60.500 58.584 1.916 1 1 526 . 3 1 1 A 45 45 SER CB C 68 63.800 64.740 -0.940 1 1 527 . 3 1 1 A 45 45 SER N N 68 117.400 116.012 1.388 1 1 528 . 3 1 1 A 46 46 ARG H H 69 8.120 8.656 -0.536 1 1 529 . 3 1 1 A 46 46 ARG HA H 69 5.140 5.174 -0.034 1 1 537 . 3 1 1 A 46 46 ARG C C 69 174.600 173.726 0.874 1 1 538 . 3 1 1 A 46 46 ARG CA C 69 54.200 53.905 0.295 1 1 539 . 3 1 1 A 46 46 ARG CB C 69 33.900 34.220 -0.320 1 1 542 . 3 1 1 A 46 46 ARG N N 69 119.800 118.907 0.893 1 1 544 . 3 1 1 A 47 47 PHE H H 70 9.180 8.562 0.618 1 1 545 . 3 1 1 A 47 47 PHE HA H 70 4.720 4.981 -0.261 1 1 553 . 3 1 1 A 47 47 PHE C C 70 173.900 174.122 -0.222 1 1 554 . 3 1 1 A 47 47 PHE CA C 70 56.400 56.617 -0.217 1 1 555 . 3 1 1 A 47 47 PHE CB C 70 41.500 43.100 -1.600 1 1 561 . 3 1 1 A 47 47 PHE N N 70 120.800 117.444 3.356 1 1 562 . 3 1 1 A 48 48 LEU H H 71 8.720 8.955 -0.235 1 1 563 . 3 1 1 A 48 48 LEU HA H 71 4.450 5.047 -0.597 1 1 573 . 3 1 1 A 48 48 LEU C C 71 176.300 174.567 1.733 1 1 574 . 3 1 1 A 48 48 LEU CA C 71 54.900 53.772 1.128 1 1 575 . 3 1 1 A 48 48 LEU CB C 71 43.200 44.776 -1.576 1 1 579 . 3 1 1 A 48 48 LEU N N 71 125.300 124.397 0.903 1 1 580 . 3 1 1 A 49 49 LEU H H 72 8.730 8.873 -0.143 1 1 581 . 3 1 1 A 49 49 LEU HA H 72 4.770 4.846 -0.076 1 1 591 . 3 1 1 A 49 49 LEU C C 72 174.800 175.593 -0.793 1 1 592 . 3 1 1 A 49 49 LEU CA C 72 53.200 53.910 -0.710 1 1 593 . 3 1 1 A 49 49 LEU CB C 72 40.900 42.013 -1.113 1 1 597 . 3 1 1 A 49 49 LEU N N 72 126.900 128.035 -1.135 1 1 598 . 3 1 1 A 50 50 ASP H H 73 8.350 8.567 -0.217 1 1 599 . 3 1 1 A 50 50 ASP HA H 73 4.790 5.085 -0.295 1 1 602 . 3 1 1 A 50 50 ASP C C 73 175.600 174.539 1.061 1 1 603 . 3 1 1 A 50 50 ASP CA C 73 53.000 52.941 0.059 1 1 604 . 3 1 1 A 50 50 ASP CB C 73 41.400 41.879 -0.479 1 1 605 . 3 1 1 A 50 50 ASP N N 73 120.400 127.442 -7.042 1 1 606 . 3 1 1 A 51 51 GLN H H 74 7.670 7.565 0.105 1 1 607 . 3 1 1 A 51 51 GLN HA H 74 4.660 4.801 -0.141 1 1 614 . 3 1 1 A 51 51 GLN C C 74 175.400 175.875 -0.475 1 1 615 . 3 1 1 A 51 51 GLN CA C 74 53.700 54.131 -0.431 1 1 616 . 3 1 1 A 51 51 GLN CB C 74 31.300 32.413 -1.113 1 1 619 . 3 1 1 A 51 51 GLN N N 74 116.200 119.723 -3.523 1 1 621 . 3 1 1 A 52 52 ALA H H 75 8.720 8.606 0.114 1 1 622 . 3 1 1 A 52 52 ALA HA H 75 4.170 4.207 -0.037 1 1 626 . 3 1 1 A 52 52 ALA C C 75 178.300 177.859 0.441 1 1 627 . 3 1 1 A 52 52 ALA CA C 75 55.700 54.540 1.160 1 1 628 . 3 1 1 A 52 52 ALA CB C 75 18.500 19.351 -0.851 1 1 629 . 3 1 1 A 52 52 ALA N N 75 123.200 123.633 -0.433 1 1 630 . 3 1 1 A 53 53 ILE H H 76 8.030 7.924 0.106 1 1 631 . 3 1 1 A 53 53 ILE HA H 76 4.650 4.895 -0.245 1 1 641 . 3 1 1 A 53 53 ILE C C 76 175.100 174.358 0.742 1 1 642 . 3 1 1 A 53 53 ILE CA C 76 61.100 59.898 1.202 1 1 643 . 3 1 1 A 53 53 ILE CB C 76 40.500 41.767 -1.267 1 1 647 . 3 1 1 A 53 53 ILE N N 76 115.400 117.104 -1.704 1 1 648 . 3 1 1 A 54 54 THR H H 77 8.840 8.973 -0.133 1 1 649 . 3 1 1 A 54 54 THR HA H 77 4.940 5.033 -0.093 1 1 654 . 3 1 1 A 54 54 THR C C 77 174.600 173.802 0.798 1 1 655 . 3 1 1 A 54 54 THR CA C 77 61.400 61.668 -0.268 1 1 656 . 3 1 1 A 54 54 THR CB C 77 70.300 70.959 -0.659 1 1 658 . 3 1 1 A 54 54 THR N N 77 125.300 124.840 0.460 1 1 659 . 3 1 1 A 55 55 SER H H 78 10.690 8.595 2.095 1 1 660 . 3 1 1 A 55 55 SER HA H 78 4.720 4.863 -0.143 1 1 663 . 3 1 1 A 55 55 SER C C 78 172.600 173.842 -1.242 1 1 664 . 3 1 1 A 55 55 SER CA C 78 57.800 58.089 -0.289 1 1 665 . 3 1 1 A 55 55 SER CB C 78 65.200 64.238 0.962 1 1 666 . 3 1 1 A 55 55 SER N N 78 126.300 123.273 3.027 1 1 667 . 3 1 1 A 56 56 ALA H H 79 8.840 8.214 0.626 1 1 668 . 3 1 1 A 56 56 ALA HA H 79 5.720 5.063 0.657 1 1 672 . 3 1 1 A 56 56 ALA C C 79 175.800 177.381 -1.581 1 1 673 . 3 1 1 A 56 56 ALA CA C 79 49.800 50.721 -0.921 1 1 674 . 3 1 1 A 56 56 ALA CB C 79 21.900 22.440 -0.540 1 1 675 . 3 1 1 A 56 56 ALA N N 79 123.200 125.007 -1.807 1 1 676 . 3 1 1 A 57 57 GLY H H 80 8.410 8.319 0.091 1 1 677 . 3 1 1 A 57 57 GLY HA2 H 80 4.400 3.932 0.468 1 1 678 . 3 1 1 A 57 57 GLY HA3 H 80 3.970 3.990 -0.020 1 1 679 . 3 1 1 A 57 57 GLY C C 80 174.800 173.224 1.576 1 1 680 . 3 1 1 A 57 57 GLY CA C 80 46.300 45.090 1.210 1 1 681 . 3 1 1 A 57 57 GLY N N 80 108.700 106.581 2.119 1 1 682 . 3 1 1 A 58 58 ARG H H 81 8.330 8.146 0.184 1 1 683 . 3 1 1 A 58 58 ARG HA H 81 4.440 4.550 -0.110 1 1 690 . 3 1 1 A 58 58 ARG C C 81 176.400 175.369 1.031 1 1 691 . 3 1 1 A 58 58 ARG CA C 81 54.700 55.245 -0.545 1 1 692 . 3 1 1 A 58 58 ARG CB C 81 32.300 31.894 0.406 1 1 695 . 3 1 1 A 58 58 ARG N N 81 120.400 122.958 -2.558 1 1 696 . 3 1 1 A 59 59 HIS H H 82 9.040 8.894 0.146 1 1 697 . 3 1 1 A 59 59 HIS HA H 82 4.280 4.962 -0.682 1 1 702 . 3 1 1 A 59 59 HIS CA C 82 56.800 54.202 2.598 1 1 703 . 3 1 1 A 59 59 HIS CB C 82 30.900 33.166 -2.266 1 1 705 . 3 1 1 A 59 59 HIS N N 82 124.300 120.521 3.779 1 1 708 . 3 1 1 A 60 60 PRO HA H 83 3.640 4.298 -0.658 1 1 715 . 3 1 1 A 60 60 PRO C C 83 177.000 176.837 0.163 1 1 716 . 3 1 1 A 60 60 PRO CA C 83 64.800 64.483 0.317 1 1 717 . 3 1 1 A 60 60 PRO CB C 83 31.700 32.073 -0.373 1 1 720 . 3 1 1 A 61 61 ASP H H 84 11.140 8.019 3.121 1 1 721 . 3 1 1 A 61 61 ASP HA H 84 4.700 4.810 -0.110 1 1 724 . 3 1 1 A 61 61 ASP C C 84 177.400 174.582 2.818 1 1 725 . 3 1 1 A 61 61 ASP CA C 84 53.900 53.866 0.034 1 1 726 . 3 1 1 A 61 61 ASP CB C 84 40.500 41.990 -1.490 1 1 727 . 3 1 1 A 61 61 ASP N N 84 121.600 116.548 5.052 1 1 728 . 3 1 1 A 62 62 SER H H 85 8.190 8.753 -0.563 1 1 729 . 3 1 1 A 62 62 SER HA H 85 4.030 4.468 -0.438 1 1 733 . 3 1 1 A 62 62 SER C C 85 173.400 174.987 -1.587 1 1 734 . 3 1 1 A 62 62 SER CA C 85 60.400 59.795 0.605 1 1 735 . 3 1 1 A 62 62 SER CB C 85 65.200 62.091 3.109 1 1 736 . 3 1 1 A 62 62 SER N N 85 118.100 114.576 3.524 1 1 737 . 3 1 1 A 63 63 ASP H H 86 8.270 8.805 -0.535 1 1 738 . 3 1 1 A 63 63 ASP HA H 86 4.390 4.509 -0.119 1 1 741 . 3 1 1 A 63 63 ASP C C 86 177.200 177.236 -0.036 1 1 742 . 3 1 1 A 63 63 ASP CA C 86 58.300 57.654 0.646 1 1 743 . 3 1 1 A 63 63 ASP CB C 86 42.100 41.042 1.058 1 1 744 . 3 1 1 A 63 63 ASP N N 86 125.600 123.880 1.720 1 1 745 . 3 1 1 A 64 64 ILE H H 87 8.470 7.882 0.588 1 1 746 . 3 1 1 A 64 64 ILE HA H 87 3.560 3.745 -0.185 1 1 756 . 3 1 1 A 64 64 ILE C C 87 172.900 174.862 -1.962 1 1 757 . 3 1 1 A 64 64 ILE CA C 87 60.500 60.461 0.039 1 1 758 . 3 1 1 A 64 64 ILE CB C 87 37.400 38.110 -0.710 1 1 762 . 3 1 1 A 64 64 ILE N N 87 119.500 119.504 -0.004 1 1 763 . 3 1 1 A 65 65 PHE H H 88 8.100 8.699 -0.599 1 1 764 . 3 1 1 A 65 65 PHE HA H 88 5.010 5.169 -0.159 1 1 772 . 3 1 1 A 65 65 PHE C C 88 174.000 173.745 0.255 1 1 773 . 3 1 1 A 65 65 PHE CA C 88 55.600 56.154 -0.554 1 1 774 . 3 1 1 A 65 65 PHE CB C 88 38.800 40.347 -1.547 1 1 779 . 3 1 1 A 65 65 PHE N N 88 127.100 128.076 -0.976 1 1 780 . 3 1 1 A 66 66 LEU H H 89 7.710 8.535 -0.825 1 1 781 . 3 1 1 A 66 66 LEU HA H 89 3.620 4.574 -0.954 1 1 791 . 3 1 1 A 66 66 LEU C C 89 173.500 174.241 -0.741 1 1 792 . 3 1 1 A 66 66 LEU CA C 89 52.100 53.879 -1.779 1 1 793 . 3 1 1 A 66 66 LEU CB C 89 41.300 41.468 -0.168 1 1 797 . 3 1 1 A 66 66 LEU N N 89 131.900 129.400 2.500 1 1 798 . 3 1 1 A 67 67 ASP H H 90 7.980 8.745 -0.765 1 1 799 . 3 1 1 A 67 67 ASP HA H 90 4.260 4.554 -0.294 1 1 802 . 3 1 1 A 67 67 ASP C C 90 174.800 174.516 0.284 1 1 803 . 3 1 1 A 67 67 ASP CA C 90 53.100 53.042 0.058 1 1 804 . 3 1 1 A 67 67 ASP CB C 90 39.900 40.536 -0.636 1 1 805 . 3 1 1 A 67 67 ASP N N 90 120.000 125.813 -5.813 1 1 806 . 3 1 1 A 68 68 ASP H H 91 7.480 8.270 -0.790 1 1 807 . 3 1 1 A 68 68 ASP HA H 91 4.850 5.066 -0.216 1 1 810 . 3 1 1 A 68 68 ASP C C 91 175.600 176.107 -0.507 1 1 811 . 3 1 1 A 68 68 ASP CA C 91 54.900 53.570 1.330 1 1 812 . 3 1 1 A 68 68 ASP CB C 91 48.500 44.130 4.370 1 1 813 . 3 1 1 A 68 68 ASP N N 91 121.400 124.672 -3.272 1 1 814 . 3 1 1 A 69 69 VAL H H 92 8.370 8.685 -0.315 1 1 815 . 3 1 1 A 69 69 VAL HA H 92 4.060 3.914 0.146 1 1 823 . 3 1 1 A 69 69 VAL C C 92 175.900 177.321 -1.421 1 1 824 . 3 1 1 A 69 69 VAL CA C 92 64.800 65.271 -0.471 1 1 825 . 3 1 1 A 69 69 VAL CB C 92 31.700 31.930 -0.230 1 1 828 . 3 1 1 A 69 69 VAL N N 92 121.900 124.275 -2.375 1 1 829 . 3 1 1 A 70 70 THR H H 93 8.360 7.771 0.589 1 1 830 . 3 1 1 A 70 70 THR HA H 93 4.060 4.162 -0.102 1 1 836 . 3 1 1 A 70 70 THR C C 93 175.100 174.855 0.245 1 1 837 . 3 1 1 A 70 70 THR CA C 93 63.700 65.397 -1.697 1 1 838 . 3 1 1 A 70 70 THR CB C 93 70.300 68.818 1.482 1 1 840 . 3 1 1 A 70 70 THR N N 93 111.100 113.707 -2.607 1 1 841 . 3 1 1 A 71 71 VAL H H 94 8.240 7.766 0.474 1 1 842 . 3 1 1 A 71 71 VAL HA H 94 4.520 4.108 0.412 1 1 850 . 3 1 1 A 71 71 VAL C C 94 176.800 175.475 1.325 1 1 851 . 3 1 1 A 71 71 VAL CA C 94 61.200 61.319 -0.119 1 1 852 . 3 1 1 A 71 71 VAL CB C 94 33.500 32.625 0.875 1 1 855 . 3 1 1 A 71 71 VAL N N 94 125.500 123.659 1.841 1 1 856 . 3 1 1 A 72 72 SER H H 95 11.410 8.834 2.576 1 1 857 . 3 1 1 A 72 72 SER HA H 95 4.670 4.642 0.028 1 1 860 . 3 1 1 A 72 72 SER C C 95 174.500 175.354 -0.854 1 1 861 . 3 1 1 A 72 72 SER CA C 95 60.600 57.826 2.774 1 1 862 . 3 1 1 A 72 72 SER CB C 95 64.200 64.092 0.108 1 1 863 . 3 1 1 A 72 72 SER N N 95 126.800 121.987 4.813 1 1 864 . 3 1 1 A 73 73 ARG H H 96 9.260 8.804 0.456 1 1 865 . 3 1 1 A 73 73 ARG HA H 96 3.770 3.931 -0.161 1 1 873 . 3 1 1 A 73 73 ARG C C 96 176.600 176.701 -0.101 1 1 874 . 3 1 1 A 73 73 ARG CA C 96 61.300 59.300 2.000 1 1 875 . 3 1 1 A 73 73 ARG CB C 96 29.800 29.955 -0.155 1 1 878 . 3 1 1 A 73 73 ARG N N 96 124.600 125.566 -0.966 1 1 880 . 3 1 1 A 74 74 ARG H H 97 7.800 7.835 -0.035 1 1 881 . 3 1 1 A 74 74 ARG HA H 97 4.440 4.738 -0.298 1 1 889 . 3 1 1 A 74 74 ARG C C 97 173.100 176.475 -3.375 1 1 890 . 3 1 1 A 74 74 ARG CA C 97 54.800 55.087 -0.287 1 1 891 . 3 1 1 A 74 74 ARG CB C 97 29.300 30.393 -1.093 1 1 894 . 3 1 1 A 74 74 ARG N N 97 114.800 117.447 -2.647 1 1 896 . 3 1 1 A 75 75 HIS H H 98 7.840 7.955 -0.115 1 1 897 . 3 1 1 A 75 75 HIS HA H 98 4.430 4.251 0.179 1 1 903 . 3 1 1 A 75 75 HIS C C 98 173.800 174.547 -0.747 1 1 904 . 3 1 1 A 75 75 HIS CA C 98 57.800 59.653 -1.853 1 1 905 . 3 1 1 A 75 75 HIS CB C 98 35.000 30.327 4.673 1 1 908 . 3 1 1 A 75 75 HIS N N 98 124.400 119.004 5.396 1 1 910 . 3 1 1 A 76 76 ALA H H 99 8.490 7.596 0.894 1 1 911 . 3 1 1 A 76 76 ALA HA H 99 5.580 4.424 1.156 1 1 915 . 3 1 1 A 76 76 ALA C C 99 176.500 174.666 1.834 1 1 916 . 3 1 1 A 76 76 ALA CA C 99 50.300 51.328 -1.028 1 1 917 . 3 1 1 A 76 76 ALA CB C 99 23.200 22.720 0.480 1 1 918 . 3 1 1 A 76 76 ALA N N 99 116.600 117.767 -1.167 1 1 919 . 3 1 1 A 77 77 GLU H H 100 9.030 8.428 0.602 1 1 920 . 3 1 1 A 77 77 GLU HA H 100 5.030 4.895 0.135 1 1 925 . 3 1 1 A 77 77 GLU C C 100 174.100 174.420 -0.320 1 1 926 . 3 1 1 A 77 77 GLU CA C 100 54.500 55.014 -0.514 1 1 927 . 3 1 1 A 77 77 GLU CB C 100 34.900 33.603 1.297 1 1 929 . 3 1 1 A 77 77 GLU N N 100 118.100 120.431 -2.331 1 1 930 . 3 1 1 A 78 78 PHE H H 101 9.400 8.734 0.666 1 1 931 . 3 1 1 A 78 78 PHE HA H 101 5.400 5.472 -0.072 1 1 939 . 3 1 1 A 78 78 PHE C C 101 176.500 174.702 1.798 1 1 940 . 3 1 1 A 78 78 PHE CA C 101 56.700 56.696 0.004 1 1 941 . 3 1 1 A 78 78 PHE CB C 101 41.000 42.295 -1.295 1 1 946 . 3 1 1 A 78 78 PHE N N 101 119.600 123.817 -4.217 1 1 947 . 3 1 1 A 79 79 ARG H H 102 9.720 9.415 0.305 1 1 948 . 3 1 1 A 79 79 ARG HA H 102 5.490 5.109 0.381 1 1 956 . 3 1 1 A 79 79 ARG C C 102 174.300 174.437 -0.137 1 1 957 . 3 1 1 A 79 79 ARG CA C 102 54.800 54.327 0.473 1 1 958 . 3 1 1 A 79 79 ARG CB C 102 33.100 34.085 -0.985 1 1 961 . 3 1 1 A 79 79 ARG N N 102 126.100 122.059 4.041 1 1 963 . 3 1 1 A 80 80 LEU H H 103 9.020 8.666 0.354 1 1 964 . 3 1 1 A 80 80 LEU HA H 103 4.400 4.861 -0.461 1 1 974 . 3 1 1 A 80 80 LEU C C 103 176.100 175.376 0.724 1 1 975 . 3 1 1 A 80 80 LEU CA C 103 54.100 54.539 -0.439 1 1 976 . 3 1 1 A 80 80 LEU CB C 103 42.600 43.672 -1.072 1 1 980 . 3 1 1 A 80 80 LEU N N 103 128.000 128.298 -0.298 1 1 981 . 3 1 1 A 81 81 GLU H H 104 8.860 8.804 0.056 1 1 982 . 3 1 1 A 81 81 GLU HA H 104 4.430 4.467 -0.037 1 1 987 . 3 1 1 A 81 81 GLU C C 104 175.800 174.892 0.908 1 1 988 . 3 1 1 A 81 81 GLU CA C 104 55.500 56.126 -0.626 1 1 989 . 3 1 1 A 81 81 GLU CB C 104 32.600 32.660 -0.060 1 1 991 . 3 1 1 A 81 81 GLU N N 104 128.600 125.548 3.052 1 1 992 . 3 1 1 A 82 82 ASN H H 105 9.410 9.276 0.134 1 1 993 . 3 1 1 A 82 82 ASN HA H 105 4.200 4.400 -0.200 1 1 998 . 3 1 1 A 82 82 ASN C C 105 174.300 174.501 -0.201 1 1 999 . 3 1 1 A 82 82 ASN CA C 105 54.700 54.508 0.192 1 1 1000 . 3 1 1 A 82 82 ASN CB C 105 37.200 37.024 0.176 1 1 1002 . 3 1 1 A 82 82 ASN N N 105 124.600 123.901 0.699 1 1 1004 . 3 1 1 A 83 83 ASN H H 106 8.640 8.466 0.174 1 1 1005 . 3 1 1 A 83 83 ASN HA H 106 4.010 4.177 -0.167 1 1 1010 . 3 1 1 A 83 83 ASN C C 106 173.100 174.309 -1.209 1 1 1011 . 3 1 1 A 83 83 ASN CA C 106 54.900 54.558 0.342 1 1 1012 . 3 1 1 A 83 83 ASN CB C 106 38.100 37.178 0.922 1 1 1014 . 3 1 1 A 83 83 ASN N N 106 108.900 108.919 -0.019 1 1 1016 . 3 1 1 A 84 84 GLU H H 107 7.660 7.358 0.302 1 1 1017 . 3 1 1 A 84 84 GLU HA H 107 4.660 4.671 -0.011 1 1 1022 . 3 1 1 A 84 84 GLU C C 107 174.300 174.726 -0.426 1 1 1023 . 3 1 1 A 84 84 GLU CA C 107 54.700 55.598 -0.898 1 1 1024 . 3 1 1 A 84 84 GLU CB C 107 32.900 31.123 1.777 1 1 1026 . 3 1 1 A 84 84 GLU N N 107 118.300 116.897 1.403 1 1 1027 . 3 1 1 A 85 85 PHE H H 108 9.690 8.162 1.528 1 1 1028 . 3 1 1 A 85 85 PHE HA H 108 5.000 5.222 -0.222 1 1 1035 . 3 1 1 A 85 85 PHE C C 108 174.500 174.434 0.066 1 1 1036 . 3 1 1 A 85 85 PHE CA C 108 58.600 56.598 2.002 1 1 1037 . 3 1 1 A 85 85 PHE CB C 108 41.800 43.557 -1.757 1 1 1042 . 3 1 1 A 85 85 PHE N N 108 121.100 118.350 2.750 1 1 1043 . 3 1 1 A 86 86 ASN H H 109 9.180 9.189 -0.009 1 1 1044 . 3 1 1 A 86 86 ASN HA H 109 5.580 5.389 0.191 1 1 1049 . 3 1 1 A 86 86 ASN C C 109 175.000 173.801 1.199 1 1 1050 . 3 1 1 A 86 86 ASN CA C 109 51.200 52.558 -1.358 1 1 1051 . 3 1 1 A 86 86 ASN CB C 109 42.100 43.118 -1.018 1 1 1053 . 3 1 1 A 86 86 ASN N N 109 119.400 118.110 1.290 1 1 1055 . 3 1 1 A 87 87 VAL H H 110 9.060 8.638 0.422 1 1 1056 . 3 1 1 A 87 87 VAL HA H 110 4.940 5.080 -0.140 1 1 1064 . 3 1 1 A 87 87 VAL C C 110 171.700 173.684 -1.984 1 1 1065 . 3 1 1 A 87 87 VAL CA C 110 58.400 59.829 -1.429 1 1 1066 . 3 1 1 A 87 87 VAL CB C 110 33.800 34.791 -0.991 1 1 1069 . 3 1 1 A 87 87 VAL N N 110 121.300 120.387 0.913 1 1 1070 . 3 1 1 A 88 88 VAL H H 111 8.640 9.092 -0.452 1 1 1071 . 3 1 1 A 88 88 VAL HA H 111 4.590 4.499 0.091 1 1 1079 . 3 1 1 A 88 88 VAL C C 111 175.700 174.233 1.467 1 1 1080 . 3 1 1 A 88 88 VAL CA C 111 60.100 60.616 -0.516 1 1 1081 . 3 1 1 A 88 88 VAL CB C 111 36.200 34.710 1.490 1 1 1084 . 3 1 1 A 88 88 VAL N N 111 125.500 128.315 -2.815 1 1 1085 . 3 1 1 A 89 89 ASP H H 112 8.480 8.402 0.078 1 1 1086 . 3 1 1 A 89 89 ASP HA H 112 4.870 4.861 0.009 1 1 1089 . 3 1 1 A 89 89 ASP C C 112 177.200 176.773 0.427 1 1 1090 . 3 1 1 A 89 89 ASP CA C 112 54.700 53.635 1.065 1 1 1091 . 3 1 1 A 89 89 ASP CB C 112 43.600 42.801 0.799 1 1 1092 . 3 1 1 A 89 89 ASP N N 112 126.600 127.233 -0.633 1 1 1093 . 3 1 1 A 90 90 VAL H H 113 7.980 8.476 -0.496 1 1 1094 . 3 1 1 A 90 90 VAL HA H 113 4.540 4.490 0.050 1 1 1102 . 3 1 1 A 90 90 VAL C C 113 174.400 176.345 -1.945 1 1 1103 . 3 1 1 A 90 90 VAL CA C 113 60.300 61.132 -0.832 1 1 1104 . 3 1 1 A 90 90 VAL CB C 113 29.500 33.222 -3.722 1 1 1107 . 3 1 1 A 90 90 VAL N N 113 119.700 117.685 2.015 1 1 1108 . 3 1 1 A 91 91 GLY H H 114 8.600 7.936 0.664 1 1 1109 . 3 1 1 A 91 91 GLY HA2 H 114 4.260 3.920 0.340 1 1 1110 . 3 1 1 A 91 91 GLY HA3 H 114 3.720 3.966 -0.246 1 1 1111 . 3 1 1 A 91 91 GLY C C 114 175.300 172.960 2.340 1 1 1112 . 3 1 1 A 91 91 GLY CA C 114 45.700 44.287 1.413 1 1 1113 . 3 1 1 A 91 91 GLY N N 114 111.300 112.509 -1.209 1 1 1114 . 3 1 1 A 92 92 SER H H 115 9.190 8.226 0.964 1 1 1115 . 3 1 1 A 92 92 SER HA H 115 3.890 4.511 -0.621 1 1 1118 . 3 1 1 A 92 92 SER C C 115 174.500 175.148 -0.648 1 1 1119 . 3 1 1 A 92 92 SER CA C 115 58.600 58.132 0.468 1 1 1120 . 3 1 1 A 92 92 SER CB C 115 61.300 63.986 -2.686 1 1 1121 . 3 1 1 A 92 92 SER N N 115 121.000 117.958 3.042 1 1 1122 . 3 1 1 A 93 93 LEU H H 116 7.720 8.778 -1.058 1 1 1123 . 3 1 1 A 93 93 LEU HA H 116 4.250 4.059 0.191 1 1 1133 . 3 1 1 A 93 93 LEU C C 116 179.100 178.787 0.313 1 1 1134 . 3 1 1 A 93 93 LEU CA C 116 57.200 58.443 -1.243 1 1 1135 . 3 1 1 A 93 93 LEU CB C 116 42.100 41.153 0.947 1 1 1139 . 3 1 1 A 93 93 LEU N N 116 120.500 127.152 -6.652 1 1 1140 . 3 1 1 A 94 94 ASN H H 117 8.450 7.963 0.487 1 1 1141 . 3 1 1 A 94 94 ASN HA H 117 4.870 4.325 0.545 1 1 1146 . 3 1 1 A 94 94 ASN C C 117 175.800 176.326 -0.526 1 1 1147 . 3 1 1 A 94 94 ASN CA C 117 54.000 55.593 -1.593 1 1 1148 . 3 1 1 A 94 94 ASN CB C 117 40.100 38.524 1.576 1 1 1150 . 3 1 1 A 94 94 ASN N N 117 112.500 116.057 -3.557 1 1 1152 . 3 1 1 A 95 95 GLY H H 118 7.940 7.847 0.093 1 1 1153 . 3 1 1 A 95 95 GLY HA2 H 118 4.190 3.680 0.510 1 1 1154 . 3 1 1 A 95 95 GLY HA3 H 118 3.610 3.691 -0.081 1 1 1155 . 3 1 1 A 95 95 GLY C C 118 174.000 173.115 0.885 1 1 1156 . 3 1 1 A 95 95 GLY CA C 118 44.300 46.222 -1.922 1 1 1157 . 3 1 1 A 95 95 GLY N N 118 109.800 106.934 2.866 1 1 1158 . 3 1 1 A 96 96 THR H H 119 8.940 8.224 0.716 1 1 1159 . 3 1 1 A 96 96 THR HA H 119 3.820 4.295 -0.475 1 1 1165 . 3 1 1 A 96 96 THR C C 119 172.300 172.945 -0.645 1 1 1166 . 3 1 1 A 96 96 THR CA C 119 64.100 62.477 1.623 1 1 1167 . 3 1 1 A 96 96 THR CB C 119 70.200 69.702 0.498 1 1 1169 . 3 1 1 A 96 96 THR N N 119 122.000 116.682 5.318 1 1 1170 . 3 1 1 A 97 97 TYR H H 120 8.220 9.196 -0.976 1 1 1171 . 3 1 1 A 97 97 TYR HA H 120 5.340 5.309 0.031 1 1 1178 . 3 1 1 A 97 97 TYR C C 120 175.900 174.373 1.527 1 1 1179 . 3 1 1 A 97 97 TYR CA C 120 55.600 56.639 -1.039 1 1 1180 . 3 1 1 A 97 97 TYR CB C 120 41.400 42.547 -1.147 1 1 1185 . 3 1 1 A 97 97 TYR N N 120 122.800 121.899 0.901 1 1 1186 . 3 1 1 A 98 98 VAL H H 121 9.040 8.790 0.250 1 1 1187 . 3 1 1 A 98 98 VAL HA H 121 5.010 4.867 0.143 1 1 1195 . 3 1 1 A 98 98 VAL C C 121 176.900 175.312 1.588 1 1 1196 . 3 1 1 A 98 98 VAL CA C 121 61.100 59.940 1.160 1 1 1197 . 3 1 1 A 98 98 VAL CB C 121 33.000 34.642 -1.642 1 1 1200 . 3 1 1 A 98 98 VAL N N 121 121.400 121.541 -0.141 1 1 1201 . 3 1 1 A 99 99 ASN H H 122 10.100 8.977 1.123 1 1 1202 . 3 1 1 A 99 99 ASN HA H 122 4.440 4.457 -0.017 1 1 1207 . 3 1 1 A 99 99 ASN C C 122 174.500 175.187 -0.687 1 1 1208 . 3 1 1 A 99 99 ASN CA C 122 55.000 55.235 -0.235 1 1 1209 . 3 1 1 A 99 99 ASN CB C 122 37.000 37.143 -0.143 1 1 1211 . 3 1 1 A 99 99 ASN N N 122 129.400 126.900 2.500 1 1 1213 . 3 1 1 A 100 100 ARG H H 123 9.290 8.887 0.403 1 1 1214 . 3 1 1 A 100 100 ARG HA H 123 3.680 4.099 -0.419 1 1 1222 . 3 1 1 A 100 100 ARG C C 123 175.200 176.361 -1.161 1 1 1223 . 3 1 1 A 100 100 ARG CA C 123 58.100 58.306 -0.206 1 1 1224 . 3 1 1 A 100 100 ARG CB C 123 27.600 30.160 -2.560 1 1 1227 . 3 1 1 A 100 100 ARG N N 123 106.100 122.848 -16.748 1 1 1229 . 3 1 1 A 101 101 GLU H H 124 7.970 7.757 0.213 1 1 1230 . 3 1 1 A 101 101 GLU HA H 124 5.110 4.684 0.426 1 1 1235 . 3 1 1 A 101 101 GLU CA C 124 53.000 53.057 -0.057 1 1 1236 . 3 1 1 A 101 101 GLU CB C 124 30.900 30.685 0.215 1 1 1238 . 3 1 1 A 101 101 GLU N N 124 121.300 119.553 1.747 1 1 1239 . 3 1 1 A 102 102 PRO HA H 125 4.050 5.017 -0.967 1 1 1246 . 3 1 1 A 102 102 PRO C C 125 177.500 176.626 0.874 1 1 1247 . 3 1 1 A 102 102 PRO CA C 125 62.300 62.416 -0.116 1 1 1248 . 3 1 1 A 102 102 PRO CB C 125 31.300 32.357 -1.057 1 1 1251 . 3 1 1 A 103 103 VAL H H 126 8.330 8.109 0.221 1 1 1252 . 3 1 1 A 103 103 VAL HA H 126 4.700 4.783 -0.083 1 1 1260 . 3 1 1 A 103 103 VAL C C 126 174.500 175.839 -1.339 1 1 1261 . 3 1 1 A 103 103 VAL CA C 126 58.900 59.470 -0.570 1 1 1262 . 3 1 1 A 103 103 VAL CB C 126 35.300 35.559 -0.259 1 1 1265 . 3 1 1 A 103 103 VAL N N 126 115.000 116.678 -1.678 1 1 1266 . 3 1 1 A 104 104 ASP H H 127 8.520 8.730 -0.210 1 1 1267 . 3 1 1 A 104 104 ASP HA H 127 4.780 4.352 0.428 1 1 1270 . 3 1 1 A 104 104 ASP C C 127 176.200 176.231 -0.031 1 1 1271 . 3 1 1 A 104 104 ASP CA C 127 55.800 57.046 -1.246 1 1 1272 . 3 1 1 A 104 104 ASP CB C 127 41.100 42.275 -1.175 1 1 1273 . 3 1 1 A 104 104 ASP N N 127 120.800 123.065 -2.265 1 1 1274 . 3 1 1 A 105 105 SER H H 128 7.650 7.762 -0.112 1 1 1275 . 3 1 1 A 105 105 SER HA H 128 5.440 4.773 0.667 1 1 1278 . 3 1 1 A 105 105 SER C C 128 173.400 172.714 0.686 1 1 1279 . 3 1 1 A 105 105 SER CA C 128 56.600 57.426 -0.826 1 1 1280 . 3 1 1 A 105 105 SER CB C 128 65.000 65.591 -0.591 1 1 1281 . 3 1 1 A 105 105 SER N N 128 111.500 110.105 1.395 1 1 1282 . 3 1 1 A 106 106 ALA H H 129 8.790 8.075 0.715 1 1 1283 . 3 1 1 A 106 106 ALA HA H 129 4.610 4.788 -0.178 1 1 1287 . 3 1 1 A 106 106 ALA C C 129 175.300 175.801 -0.501 1 1 1288 . 3 1 1 A 106 106 ALA CA C 129 52.100 51.424 0.676 1 1 1289 . 3 1 1 A 106 106 ALA CB C 129 22.600 23.027 -0.427 1 1 1290 . 3 1 1 A 106 106 ALA N N 129 125.100 121.485 3.615 1 1 1291 . 3 1 1 A 107 107 VAL H H 130 8.340 8.735 -0.395 1 1 1292 . 3 1 1 A 107 107 VAL HA H 130 4.160 4.487 -0.327 1 1 1300 . 3 1 1 A 107 107 VAL C C 130 176.300 175.976 0.324 1 1 1301 . 3 1 1 A 107 107 VAL CA C 130 62.600 61.895 0.705 1 1 1302 . 3 1 1 A 107 107 VAL CB C 130 32.000 32.308 -0.308 1 1 1305 . 3 1 1 A 107 107 VAL N N 130 122.800 119.600 3.200 1 1 1306 . 3 1 1 A 108 108 LEU H H 131 8.490 8.404 0.086 1 1 1307 . 3 1 1 A 108 108 LEU HA H 131 4.370 4.215 0.155 1 1 1317 . 3 1 1 A 108 108 LEU C C 131 175.200 175.929 -0.729 1 1 1318 . 3 1 1 A 108 108 LEU CA C 131 54.200 54.383 -0.183 1 1 1319 . 3 1 1 A 108 108 LEU CB C 131 43.000 41.728 1.272 1 1 1323 . 3 1 1 A 108 108 LEU N N 131 128.900 128.220 0.680 1 1 1324 . 3 1 1 A 109 109 ALA H H 132 9.130 8.878 0.252 1 1 1325 . 3 1 1 A 109 109 ALA HA H 132 4.750 5.026 -0.276 1 1 1329 . 3 1 1 A 109 109 ALA C C 132 176.500 175.902 0.598 1 1 1330 . 3 1 1 A 109 109 ALA CA C 132 49.700 50.759 -1.059 1 1 1331 . 3 1 1 A 109 109 ALA CB C 132 22.400 23.274 -0.874 1 1 1332 . 3 1 1 A 109 109 ALA N N 132 126.000 122.597 3.403 1 1 1333 . 3 1 1 A 110 110 ASN H H 133 8.860 8.869 -0.009 1 1 1334 . 3 1 1 A 110 110 ASN HA H 133 4.430 4.521 -0.091 1 1 1339 . 3 1 1 A 110 110 ASN C C 133 176.400 176.588 -0.188 1 1 1340 . 3 1 1 A 110 110 ASN CA C 133 56.400 55.098 1.302 1 1 1341 . 3 1 1 A 110 110 ASN CB C 133 39.800 38.175 1.625 1 1 1343 . 3 1 1 A 110 110 ASN N N 133 117.600 120.647 -3.047 1 1 1345 . 3 1 1 A 111 111 GLY H H 134 10.100 8.899 1.201 1 1 1346 . 3 1 1 A 111 111 GLY HA2 H 134 4.430 3.940 0.490 1 1 1347 . 3 1 1 A 111 111 GLY HA3 H 134 3.410 3.948 -0.538 1 1 1348 . 3 1 1 A 111 111 GLY C C 134 174.800 174.155 0.645 1 1 1349 . 3 1 1 A 111 111 GLY CA C 134 45.100 45.624 -0.524 1 1 1350 . 3 1 1 A 111 111 GLY N N 134 117.200 113.863 3.337 1 1 1351 . 3 1 1 A 112 112 ASP H H 135 8.640 7.932 0.708 1 1 1352 . 3 1 1 A 112 112 ASP HA H 135 4.430 4.991 -0.561 1 1 1355 . 3 1 1 A 112 112 ASP C C 135 174.700 175.029 -0.329 1 1 1356 . 3 1 1 A 112 112 ASP CA C 135 56.200 53.946 2.254 1 1 1357 . 3 1 1 A 112 112 ASP CB C 135 42.100 42.761 -0.661 1 1 1358 . 3 1 1 A 112 112 ASP N N 135 122.900 120.851 2.049 1 1 1359 . 3 1 1 A 113 113 GLU H H 136 8.360 8.636 -0.276 1 1 1360 . 3 1 1 A 113 113 GLU HA H 136 5.220 5.287 -0.067 1 1 1365 . 3 1 1 A 113 113 GLU C C 136 176.000 175.512 0.488 1 1 1366 . 3 1 1 A 113 113 GLU CA C 136 54.400 54.807 -0.407 1 1 1367 . 3 1 1 A 113 113 GLU CB C 136 32.900 32.914 -0.014 1 1 1369 . 3 1 1 A 113 113 GLU N N 136 119.000 119.259 -0.259 1 1 1370 . 3 1 1 A 114 114 VAL H H 137 9.800 8.794 1.006 1 1 1371 . 3 1 1 A 114 114 VAL HA H 137 5.160 4.978 0.182 1 1 1379 . 3 1 1 A 114 114 VAL C C 137 174.400 174.223 0.177 1 1 1380 . 3 1 1 A 114 114 VAL CA C 137 60.400 61.031 -0.631 1 1 1381 . 3 1 1 A 114 114 VAL CB C 137 34.300 34.781 -0.481 1 1 1384 . 3 1 1 A 114 114 VAL N N 137 129.000 123.415 5.585 1 1 1385 . 3 1 1 A 115 115 GLN H H 138 9.610 8.734 0.876 1 1 1386 . 3 1 1 A 115 115 GLN HA H 138 5.430 5.121 0.309 1 1 1393 . 3 1 1 A 115 115 GLN C C 138 174.800 174.617 0.183 1 1 1394 . 3 1 1 A 115 115 GLN CA C 138 54.500 54.296 0.204 1 1 1395 . 3 1 1 A 115 115 GLN CB C 138 30.700 31.855 -1.155 1 1 1398 . 3 1 1 A 115 115 GLN N N 138 129.300 127.494 1.806 1 1 1399 . 3 1 1 A 116 116 ILE H H 139 8.400 8.708 -0.308 1 1 1400 . 3 1 1 A 116 116 ILE HA H 139 4.020 4.807 -0.787 1 1 1410 . 3 1 1 A 116 116 ILE C C 139 174.500 176.540 -2.040 1 1 1411 . 3 1 1 A 116 116 ILE CA C 139 60.600 60.302 0.298 1 1 1412 . 3 1 1 A 116 116 ILE CB C 139 40.900 39.793 1.107 1 1 1416 . 3 1 1 A 116 116 ILE N N 139 128.300 127.927 0.373 1 1 1417 . 3 1 1 A 117 117 GLY H H 140 9.650 8.829 0.821 1 1 1418 . 3 1 1 A 117 117 GLY HA2 H 140 3.820 3.770 0.050 1 1 1419 . 3 1 1 A 117 117 GLY HA3 H 140 3.630 3.810 -0.180 1 1 1420 . 3 1 1 A 117 117 GLY C C 140 175.400 174.878 0.522 1 1 1421 . 3 1 1 A 117 117 GLY CA C 140 46.500 47.130 -0.630 1 1 1422 . 3 1 1 A 117 117 GLY N N 140 116.800 116.250 0.550 1 1 1423 . 3 1 1 A 118 118 LYS H H 141 7.960 8.775 -0.815 1 1 1424 . 3 1 1 A 118 118 LYS HA H 141 4.070 4.247 -0.177 1 1 1433 . 3 1 1 A 118 118 LYS C C 141 175.600 176.445 -0.845 1 1 1434 . 3 1 1 A 118 118 LYS CA C 141 56.700 57.190 -0.490 1 1 1435 . 3 1 1 A 118 118 LYS CB C 141 32.600 32.820 -0.220 1 1 1439 . 3 1 1 A 118 118 LYS N N 141 122.400 126.162 -3.762 1 1 1440 . 3 1 1 A 119 119 PHE H H 142 8.260 7.942 0.318 1 1 1441 . 3 1 1 A 119 119 PHE HA H 142 4.540 4.928 -0.388 1 1 1449 . 3 1 1 A 119 119 PHE C C 142 174.700 175.926 -1.226 1 1 1450 . 3 1 1 A 119 119 PHE CA C 142 58.200 57.356 0.844 1 1 1451 . 3 1 1 A 119 119 PHE CB C 142 39.900 41.097 -1.197 1 1 1456 . 3 1 1 A 119 119 PHE N N 142 119.500 117.792 1.708 1 1 1457 . 3 1 1 A 120 120 ARG H H 143 8.690 8.804 -0.114 1 1 1458 . 3 1 1 A 120 120 ARG HA H 143 5.020 5.262 -0.242 1 1 1465 . 3 1 1 A 120 120 ARG C C 143 174.800 175.544 -0.744 1 1 1466 . 3 1 1 A 120 120 ARG CA C 143 55.100 54.972 0.128 1 1 1467 . 3 1 1 A 120 120 ARG CB C 143 32.800 33.048 -0.248 1 1 1470 . 3 1 1 A 120 120 ARG N N 143 121.500 121.658 -0.158 1 1 1471 . 3 1 1 A 121 121 LEU H H 144 9.760 8.865 0.895 1 1 1472 . 3 1 1 A 121 121 LEU HA H 144 5.420 5.256 0.164 1 1 1482 . 3 1 1 A 121 121 LEU C C 144 175.000 175.425 -0.425 1 1 1483 . 3 1 1 A 121 121 LEU CA C 144 53.900 53.466 0.434 1 1 1484 . 3 1 1 A 121 121 LEU CB C 144 44.900 46.590 -1.690 1 1 1488 . 3 1 1 A 121 121 LEU N N 144 126.400 124.934 1.466 1 1 1489 . 3 1 1 A 122 122 VAL H H 145 9.370 8.955 0.415 1 1 1490 . 3 1 1 A 122 122 VAL HA H 145 5.010 5.111 -0.101 1 1 1498 . 3 1 1 A 122 122 VAL C C 145 173.700 173.261 0.439 1 1 1499 . 3 1 1 A 122 122 VAL CA C 145 60.800 59.331 1.469 1 1 1500 . 3 1 1 A 122 122 VAL CB C 145 34.300 34.811 -0.511 1 1 1503 . 3 1 1 A 122 122 VAL N N 145 121.900 120.655 1.245 1 1 1504 . 3 1 1 A 123 123 PHE H H 146 8.830 8.936 -0.106 1 1 1505 . 3 1 1 A 123 123 PHE HA H 146 4.980 4.837 0.143 1 1 1513 . 3 1 1 A 123 123 PHE C C 146 172.700 174.115 -1.415 1 1 1514 . 3 1 1 A 123 123 PHE CA C 146 57.100 56.705 0.395 1 1 1515 . 3 1 1 A 123 123 PHE CB C 146 41.100 39.925 1.175 1 1 1521 . 3 1 1 A 123 123 PHE N N 146 128.700 130.367 -1.667 1 1 1522 . 3 1 1 A 124 124 LEU H H 147 8.650 8.298 0.352 1 1 1523 . 3 1 1 A 124 124 LEU HA H 147 5.020 4.990 0.030 1 1 1533 . 3 1 1 A 124 124 LEU C C 147 175.300 175.291 0.009 1 1 1534 . 3 1 1 A 124 124 LEU CA C 147 52.600 53.331 -0.731 1 1 1535 . 3 1 1 A 124 124 LEU CB C 147 45.600 46.599 -0.999 1 1 1539 . 3 1 1 A 124 124 LEU N N 147 128.000 128.502 -0.502 1 1 1540 . 3 1 1 A 125 125 THR H H 148 8.300 9.011 -0.711 1 1 1541 . 3 1 1 A 125 125 THR HA H 148 4.330 4.879 -0.549 1 1 1546 . 3 1 1 A 125 125 THR C C 148 173.900 172.980 0.920 1 1 1547 . 3 1 1 A 125 125 THR CA C 148 60.200 60.321 -0.121 1 1 1548 . 3 1 1 A 125 125 THR CB C 148 70.300 72.529 -2.229 1 1 1550 . 3 1 1 A 125 125 THR N N 148 110.600 111.510 -0.910 1 1 1551 . 3 1 1 A 126 126 GLY H H 149 8.310 8.733 -0.423 1 1 1552 . 3 1 1 A 126 126 GLY HA2 H 149 3.840 3.673 0.167 1 1 1553 . 3 1 1 A 126 126 GLY HA3 H 149 3.840 3.805 0.035 1 1 1554 . 3 1 1 A 126 126 GLY CA C 149 45.200 47.014 -1.814 1 1 1555 . 3 1 1 A 126 126 GLY N N 149 109.800 108.277 1.523 1 1 1556 . 3 1 1 A 127 127 HIS H H 150 8.310 7.995 0.315 1 1 1557 . 3 1 1 A 127 127 HIS HA H 150 4.630 4.594 0.036 1 1 1562 . 3 1 1 A 127 127 HIS C C 150 174.800 175.051 -0.251 1 1 1563 . 3 1 1 A 127 127 HIS CA C 150 55.900 55.695 0.205 1 1 1564 . 3 1 1 A 127 127 HIS CB C 150 30.700 30.357 0.343 1 1 1567 . 3 1 1 A 127 127 HIS N N 150 119.300 119.011 0.289 1 1 1570 . 3 1 1 A 128 128 LYS H H 151 8.490 8.835 -0.345 1 1 1571 . 3 1 1 A 128 128 LYS HA H 151 4.300 4.204 0.096 1 1 1580 . 3 1 1 A 128 128 LYS C C 151 176.200 176.252 -0.052 1 1 1581 . 3 1 1 A 128 128 LYS CA C 151 56.100 56.468 -0.368 1 1 1582 . 3 1 1 A 128 128 LYS CB C 151 33.200 32.894 0.306 1 1 1586 . 3 1 1 A 128 128 LYS N N 151 123.800 123.478 0.322 1 1 1587 . 3 1 1 A 129 129 GLN H H 152 8.640 8.865 -0.225 1 1 1588 . 3 1 1 A 129 129 GLN HA H 152 4.270 4.494 -0.224 1 1 1595 . 3 1 1 A 129 129 GLN C C 152 176.500 176.225 0.275 1 1 1596 . 3 1 1 A 129 129 GLN CA C 152 56.400 57.422 -1.022 1 1 1597 . 3 1 1 A 129 129 GLN CB C 152 29.500 30.664 -1.164 1 1 1600 . 3 1 1 A 129 129 GLN N N 152 122.900 124.511 -1.611 1 1 1602 . 3 1 1 A 130 130 GLY H H 153 8.640 8.089 0.551 1 1 1603 . 3 1 1 A 130 130 GLY HA2 H 153 3.990 3.901 0.089 1 1 1604 . 3 1 1 A 130 130 GLY HA3 H 153 3.910 3.911 -0.001 1 1 1605 . 3 1 1 A 130 130 GLY C C 153 174.100 174.936 -0.836 1 1 1606 . 3 1 1 A 130 130 GLY CA C 153 45.400 46.999 -1.599 1 1 1607 . 3 1 1 A 130 130 GLY N N 153 111.100 107.427 3.673 1 1 1608 . 3 1 1 A 131 131 GLU H H 154 8.220 8.107 0.113 1 1 1609 . 3 1 1 A 131 131 GLU HA H 154 4.260 4.035 0.225 1 1 1614 . 3 1 1 A 131 131 GLU C C 154 176.100 176.895 -0.795 1 1 1615 . 3 1 1 A 131 131 GLU CA C 154 56.600 57.270 -0.670 1 1 1616 . 3 1 1 A 131 131 GLU CB C 154 30.600 29.618 0.982 1 1 1618 . 3 1 1 A 131 131 GLU N N 154 120.500 120.361 0.139 1 1 1619 . 3 1 1 A 132 132 ASP H H 155 8.530 9.290 -0.760 1 1 1620 . 3 1 1 A 132 132 ASP HA H 155 4.560 4.348 0.212 1 1 1623 . 3 1 1 A 132 132 ASP C C 155 176.300 175.119 1.181 1 1 1624 . 3 1 1 A 132 132 ASP CA C 155 54.300 55.177 -0.877 1 1 1625 . 3 1 1 A 132 132 ASP CB C 155 41.000 39.937 1.063 1 1 1626 . 3 1 1 A 132 132 ASP N N 155 121.300 126.771 -5.471 1 1 1627 . 3 1 1 A 133 133 LEU H H 156 8.230 8.076 0.154 1 1 1628 . 3 1 1 A 133 133 LEU HA H 156 4.200 3.946 0.254 1 1 1638 . 3 1 1 A 133 133 LEU C C 156 177.700 175.617 2.083 1 1 1639 . 3 1 1 A 133 133 LEU CA C 156 55.500 56.438 -0.938 1 1 1640 . 3 1 1 A 133 133 LEU CB C 156 42.100 40.345 1.755 1 1 1644 . 3 1 1 A 133 133 LEU N N 156 122.500 113.045 9.455 1 1 1645 . 3 1 1 A 134 134 GLU H H 157 8.270 7.759 0.511 1 1 1646 . 3 1 1 A 134 134 GLU HA H 157 4.100 4.368 -0.268 1 1 1651 . 3 1 1 A 134 134 GLU C C 157 177.300 176.056 1.244 1 1 1652 . 3 1 1 A 134 134 GLU CA C 157 56.900 56.878 0.022 1 1 1653 . 3 1 1 A 134 134 GLU CB C 157 30.000 30.483 -0.483 1 1 1655 . 3 1 1 A 134 134 GLU N N 157 119.800 119.788 0.012 1 1 1656 . 3 1 1 A 135 135 HIS H H 158 8.150 8.217 -0.067 1 1 1657 . 3 1 1 A 135 135 HIS HA H 158 4.530 4.897 -0.367 1 1 1662 . 3 1 1 A 135 135 HIS CA C 158 56.100 53.978 2.122 1 1 1663 . 3 1 1 A 135 135 HIS CB C 158 30.000 29.651 0.349 1 1 1664 . 3 1 1 A 135 135 HIS N N 158 118.500 121.380 -2.880 1 1 1665 . 3 1 1 A 139 139 HIS HA H 162 4.590 4.804 -0.214 1 1 1668 . 3 1 1 A 139 139 HIS C C 162 173.900 174.475 -0.575 1 1 1669 . 3 1 1 A 139 139 HIS CA C 162 55.900 55.663 0.237 1 1 1670 . 3 1 1 A 139 139 HIS CB C 162 30.100 33.703 -3.603 1 1 15 . 4 1 1 A 2 2 PHE H H 25 8.640 8.851 -0.211 1 1 16 . 4 1 1 A 2 2 PHE HA H 25 4.630 4.330 0.300 1 1 24 . 4 1 1 A 2 2 PHE C C 25 175.000 175.706 -0.706 1 1 25 . 4 1 1 A 2 2 PHE CA C 25 58.000 61.151 -3.151 1 1 26 . 4 1 1 A 2 2 PHE CB C 25 39.700 39.753 -0.053 1 1 31 . 4 1 1 A 3 3 ARG H H 26 8.210 8.227 -0.017 1 1 32 . 4 1 1 A 3 3 ARG HA H 26 4.200 4.066 0.134 1 1 40 . 4 1 1 A 3 3 ARG C C 26 175.100 176.442 -1.342 1 1 41 . 4 1 1 A 3 3 ARG CA C 26 55.600 56.055 -0.455 1 1 42 . 4 1 1 A 3 3 ARG CB C 26 31.300 30.411 0.889 1 1 45 . 4 1 1 A 3 3 ARG N N 26 125.000 120.376 4.624 1 1 47 . 4 1 1 A 4 4 ALA H H 27 8.260 8.750 -0.490 1 1 48 . 4 1 1 A 4 4 ALA HA H 27 4.090 4.400 -0.310 1 1 52 . 4 1 1 A 4 4 ALA C C 27 177.300 177.881 -0.581 1 1 53 . 4 1 1 A 4 4 ALA CA C 27 52.800 52.364 0.436 1 1 54 . 4 1 1 A 4 4 ALA CB C 27 19.200 19.156 0.044 1 1 55 . 4 1 1 A 4 4 ALA N N 27 125.400 129.692 -4.292 1 1 56 . 4 1 1 A 5 5 ASP H H 28 8.260 8.828 -0.568 1 1 57 . 4 1 1 A 5 5 ASP HA H 28 4.470 4.653 -0.183 1 1 60 . 4 1 1 A 5 5 ASP C C 28 176.200 176.149 0.051 1 1 61 . 4 1 1 A 5 5 ASP CA C 28 54.500 55.567 -1.067 1 1 62 . 4 1 1 A 5 5 ASP CB C 28 40.700 41.143 -0.443 1 1 63 . 4 1 1 A 5 5 ASP N N 28 118.200 121.614 -3.414 1 1 64 . 4 1 1 A 6 6 PHE H H 29 7.930 7.959 -0.029 1 1 65 . 4 1 1 A 6 6 PHE HA H 29 4.510 4.562 -0.052 1 1 73 . 4 1 1 A 6 6 PHE C C 29 175.700 175.347 0.353 1 1 74 . 4 1 1 A 6 6 PHE CA C 29 58.000 56.737 1.263 1 1 75 . 4 1 1 A 6 6 PHE CB C 29 39.300 41.205 -1.905 1 1 81 . 4 1 1 A 6 6 PHE N N 29 119.400 117.956 1.444 1 1 82 . 4 1 1 A 7 7 LEU H H 30 8.000 8.445 -0.445 1 1 83 . 4 1 1 A 7 7 LEU HA H 30 4.210 4.042 0.168 1 1 93 . 4 1 1 A 7 7 LEU C C 30 177.400 174.885 2.515 1 1 94 . 4 1 1 A 7 7 LEU CA C 30 55.400 54.547 0.853 1 1 95 . 4 1 1 A 7 7 LEU CB C 30 42.200 40.203 1.997 1 1 99 . 4 1 1 A 7 7 LEU N N 30 122.100 122.033 0.067 1 1 100 . 4 1 1 A 8 8 SER H H 31 8.130 8.334 -0.204 1 1 101 . 4 1 1 A 8 8 SER HA H 31 4.330 4.201 0.129 1 1 104 . 4 1 1 A 8 8 SER C C 31 174.900 173.180 1.720 1 1 105 . 4 1 1 A 8 8 SER CA C 31 58.800 55.633 3.167 1 1 106 . 4 1 1 A 8 8 SER CB C 31 63.800 64.055 -0.255 1 1 107 . 4 1 1 A 8 8 SER N N 31 116.000 118.570 -2.570 1 1 108 . 4 1 1 A 9 9 GLU H H 32 8.380 8.549 -0.169 1 1 109 . 4 1 1 A 9 9 GLU HA H 32 4.240 4.517 -0.277 1 1 114 . 4 1 1 A 9 9 GLU C C 32 176.600 175.669 0.931 1 1 115 . 4 1 1 A 9 9 GLU CA C 32 57.000 56.224 0.776 1 1 116 . 4 1 1 A 9 9 GLU CB C 32 30.000 29.979 0.021 1 1 118 . 4 1 1 A 9 9 GLU N N 32 122.200 123.013 -0.813 1 1 119 . 4 1 1 A 10 10 LEU H H 33 7.990 8.415 -0.425 1 1 120 . 4 1 1 A 10 10 LEU HA H 33 4.220 4.249 -0.029 1 1 130 . 4 1 1 A 10 10 LEU C C 33 177.100 176.683 0.417 1 1 131 . 4 1 1 A 10 10 LEU CA C 33 55.500 55.022 0.478 1 1 132 . 4 1 1 A 10 10 LEU CB C 33 42.200 42.185 0.015 1 1 136 . 4 1 1 A 10 10 LEU N N 33 121.200 126.612 -5.412 1 1 137 . 4 1 1 A 11 11 ASP H H 34 8.090 8.400 -0.310 1 1 138 . 4 1 1 A 11 11 ASP HA H 34 4.550 4.486 0.064 1 1 141 . 4 1 1 A 11 11 ASP C C 34 175.400 176.207 -0.807 1 1 142 . 4 1 1 A 11 11 ASP CA C 34 54.200 55.342 -1.142 1 1 143 . 4 1 1 A 11 11 ASP CB C 34 41.300 40.570 0.730 1 1 144 . 4 1 1 A 11 11 ASP N N 34 120.000 122.618 -2.618 1 1 145 . 4 1 1 A 12 12 ALA H H 35 7.950 8.708 -0.758 1 1 146 . 4 1 1 A 12 12 ALA HA H 35 4.510 4.740 -0.230 1 1 150 . 4 1 1 A 12 12 ALA CA C 35 50.800 50.182 0.618 1 1 151 . 4 1 1 A 12 12 ALA CB C 35 18.300 19.015 -0.715 1 1 152 . 4 1 1 A 12 12 ALA N N 35 124.600 127.285 -2.685 1 1 153 . 4 1 1 A 13 13 PRO HA H 36 4.360 4.565 -0.205 1 1 160 . 4 1 1 A 13 13 PRO C C 36 176.900 177.045 -0.145 1 1 161 . 4 1 1 A 13 13 PRO CA C 36 63.200 62.428 0.772 1 1 162 . 4 1 1 A 13 13 PRO CB C 36 32.000 32.455 -0.455 1 1 165 . 4 1 1 A 14 14 ALA H H 37 8.390 8.247 0.143 1 1 166 . 4 1 1 A 14 14 ALA HA H 37 4.230 4.364 -0.134 1 1 170 . 4 1 1 A 14 14 ALA C C 37 177.900 176.897 1.003 1 1 171 . 4 1 1 A 14 14 ALA CA C 37 52.600 53.233 -0.633 1 1 172 . 4 1 1 A 14 14 ALA CB C 37 19.300 19.030 0.270 1 1 173 . 4 1 1 A 14 14 ALA N N 37 123.900 124.761 -0.861 1 1 174 . 4 1 1 A 15 15 GLN H H 38 8.330 9.017 -0.687 1 1 175 . 4 1 1 A 15 15 GLN HA H 38 4.280 4.456 -0.176 1 1 182 . 4 1 1 A 15 15 GLN C C 38 175.800 175.479 0.321 1 1 183 . 4 1 1 A 15 15 GLN CA C 38 55.700 57.502 -1.802 1 1 184 . 4 1 1 A 15 15 GLN CB C 38 29.600 30.128 -0.528 1 1 187 . 4 1 1 A 15 15 GLN N N 38 119.300 122.052 -2.752 1 1 189 . 4 1 1 A 16 16 ALA H H 39 8.410 8.106 0.304 1 1 190 . 4 1 1 A 16 16 ALA HA H 39 4.070 4.133 -0.063 1 1 194 . 4 1 1 A 16 16 ALA C C 39 178.200 178.696 -0.496 1 1 195 . 4 1 1 A 16 16 ALA CA C 39 52.800 52.868 -0.068 1 1 196 . 4 1 1 A 16 16 ALA CB C 39 19.300 19.530 -0.230 1 1 197 . 4 1 1 A 16 16 ALA N N 39 125.600 122.917 2.683 1 1 198 . 4 1 1 A 17 17 GLY H H 40 8.510 8.830 -0.320 1 1 199 . 4 1 1 A 17 17 GLY HA2 H 40 4.010 3.924 0.086 1 1 200 . 4 1 1 A 17 17 GLY HA3 H 40 4.010 3.924 0.086 1 1 201 . 4 1 1 A 17 17 GLY C C 40 174.600 174.518 0.082 1 1 202 . 4 1 1 A 17 17 GLY CA C 40 45.400 45.371 0.029 1 1 203 . 4 1 1 A 17 17 GLY N N 40 108.500 111.721 -3.221 1 1 204 . 4 1 1 A 18 18 THR H H 41 8.020 8.064 -0.044 1 1 205 . 4 1 1 A 18 18 THR HA H 41 4.320 4.049 0.271 1 1 210 . 4 1 1 A 18 18 THR C C 41 174.900 174.640 0.260 1 1 211 . 4 1 1 A 18 18 THR CA C 41 62.100 62.870 -0.770 1 1 212 . 4 1 1 A 18 18 THR CB C 41 69.900 66.564 3.336 1 1 214 . 4 1 1 A 18 18 THR N N 41 112.900 111.810 1.090 1 1 215 . 4 1 1 A 19 19 GLU H H 42 8.630 7.891 0.739 1 1 216 . 4 1 1 A 19 19 GLU HA H 42 4.300 3.982 0.318 1 1 221 . 4 1 1 A 19 19 GLU C C 42 176.600 176.563 0.037 1 1 222 . 4 1 1 A 19 19 GLU CA C 42 56.900 57.953 -1.053 1 1 223 . 4 1 1 A 19 19 GLU CB C 42 30.000 29.585 0.415 1 1 225 . 4 1 1 A 19 19 GLU N N 42 123.000 123.595 -0.595 1 1 226 . 4 1 1 A 20 20 SER H H 43 8.330 8.719 -0.389 1 1 227 . 4 1 1 A 20 20 SER HA H 43 4.400 4.121 0.279 1 1 230 . 4 1 1 A 20 20 SER C C 43 174.300 173.886 0.414 1 1 231 . 4 1 1 A 20 20 SER CA C 43 58.500 60.564 -2.064 1 1 232 . 4 1 1 A 20 20 SER CB C 43 63.900 61.882 2.018 1 1 233 . 4 1 1 A 20 20 SER N N 43 116.600 118.816 -2.216 1 1 234 . 4 1 1 A 21 21 ALA H H 44 8.320 8.435 -0.115 1 1 235 . 4 1 1 A 21 21 ALA HA H 44 4.300 4.390 -0.090 1 1 239 . 4 1 1 A 21 21 ALA C C 44 177.700 177.367 0.333 1 1 240 . 4 1 1 A 21 21 ALA CA C 44 52.700 52.867 -0.167 1 1 241 . 4 1 1 A 21 21 ALA CB C 44 19.300 21.381 -2.081 1 1 242 . 4 1 1 A 21 21 ALA N N 44 126.000 127.696 -1.696 1 1 243 . 4 1 1 A 22 22 VAL H H 45 8.040 7.313 0.727 1 1 244 . 4 1 1 A 22 22 VAL HA H 45 4.100 4.131 -0.031 1 1 252 . 4 1 1 A 22 22 VAL C C 45 176.100 175.693 0.407 1 1 253 . 4 1 1 A 22 22 VAL CA C 45 62.300 62.114 0.186 1 1 254 . 4 1 1 A 22 22 VAL CB C 45 32.700 32.136 0.564 1 1 257 . 4 1 1 A 22 22 VAL N N 45 118.100 117.729 0.371 1 1 258 . 4 1 1 A 23 23 SER H H 46 8.370 8.763 -0.393 1 1 259 . 4 1 1 A 23 23 SER HA H 46 4.410 4.084 0.326 1 1 262 . 4 1 1 A 23 23 SER C C 46 174.900 174.384 0.516 1 1 263 . 4 1 1 A 23 23 SER CA C 46 58.500 58.885 -0.385 1 1 264 . 4 1 1 A 23 23 SER CB C 46 63.900 61.783 2.117 1 1 265 . 4 1 1 A 23 23 SER N N 46 119.100 116.403 2.697 1 1 266 . 4 1 1 A 24 24 GLY H H 47 8.370 8.219 0.151 1 1 267 . 4 1 1 A 24 24 GLY HA2 H 47 3.950 3.713 0.237 1 1 268 . 4 1 1 A 24 24 GLY HA3 H 47 3.950 3.720 0.230 1 1 269 . 4 1 1 A 24 24 GLY C C 47 174.200 175.302 -1.102 1 1 270 . 4 1 1 A 24 24 GLY CA C 47 45.400 46.807 -1.407 1 1 271 . 4 1 1 A 24 24 GLY N N 47 110.500 111.794 -1.294 1 1 272 . 4 1 1 A 25 25 VAL H H 48 7.980 8.291 -0.311 1 1 273 . 4 1 1 A 25 25 VAL HA H 48 4.040 3.720 0.320 1 1 281 . 4 1 1 A 25 25 VAL C C 48 176.100 176.122 -0.022 1 1 282 . 4 1 1 A 25 25 VAL CA C 48 62.200 65.888 -3.688 1 1 283 . 4 1 1 A 25 25 VAL CB C 48 32.500 31.760 0.740 1 1 286 . 4 1 1 A 25 25 VAL N N 48 118.100 122.012 -3.912 1 1 287 . 4 1 1 A 26 26 GLU H H 49 8.580 8.160 0.420 1 1 288 . 4 1 1 A 26 26 GLU HA H 49 4.160 3.952 0.208 1 1 293 . 4 1 1 A 26 26 GLU C C 49 176.900 175.793 1.107 1 1 294 . 4 1 1 A 26 26 GLU CA C 49 57.400 57.362 0.038 1 1 295 . 4 1 1 A 26 26 GLU CB C 49 29.800 28.695 1.105 1 1 297 . 4 1 1 A 26 26 GLU N N 49 123.900 121.579 2.321 1 1 298 . 4 1 1 A 27 27 GLY H H 50 8.330 8.640 -0.310 1 1 299 . 4 1 1 A 27 27 GLY HA2 H 50 3.890 3.988 -0.098 1 1 300 . 4 1 1 A 27 27 GLY HA3 H 50 3.830 3.989 -0.159 1 1 301 . 4 1 1 A 27 27 GLY C C 50 173.800 173.580 0.220 1 1 302 . 4 1 1 A 27 27 GLY CA C 50 45.200 44.861 0.339 1 1 303 . 4 1 1 A 27 27 GLY N N 50 109.500 108.879 0.621 1 1 304 . 4 1 1 A 28 28 LEU H H 51 7.770 8.221 -0.451 1 1 305 . 4 1 1 A 28 28 LEU HA H 51 4.470 4.989 -0.519 1 1 315 . 4 1 1 A 28 28 LEU CA C 51 52.800 51.361 1.439 1 1 316 . 4 1 1 A 28 28 LEU CB C 51 42.200 43.261 -1.061 1 1 320 . 4 1 1 A 28 28 LEU N N 51 123.000 121.603 1.397 1 1 321 . 4 1 1 A 29 29 PRO HA H 52 4.660 4.625 0.035 1 1 328 . 4 1 1 A 29 29 PRO CA C 52 61.600 61.865 -0.265 1 1 329 . 4 1 1 A 29 29 PRO CB C 52 30.800 31.976 -1.176 1 1 332 . 4 1 1 A 30 30 PRO HA H 53 4.340 4.291 0.049 1 1 339 . 4 1 1 A 30 30 PRO C C 53 177.500 177.392 0.108 1 1 340 . 4 1 1 A 30 30 PRO CA C 53 63.500 63.696 -0.196 1 1 341 . 4 1 1 A 30 30 PRO CB C 53 32.000 31.779 0.221 1 1 344 . 4 1 1 A 31 31 GLY H H 54 8.690 8.904 -0.214 1 1 345 . 4 1 1 A 31 31 GLY HA2 H 54 4.060 4.049 0.011 1 1 346 . 4 1 1 A 31 31 GLY HA3 H 54 3.660 4.089 -0.429 1 1 347 . 4 1 1 A 31 31 GLY C C 54 172.900 173.769 -0.869 1 1 348 . 4 1 1 A 31 31 GLY CA C 54 45.400 45.712 -0.312 1 1 349 . 4 1 1 A 31 31 GLY N N 54 110.100 111.504 -1.404 1 1 350 . 4 1 1 A 32 32 LEU H H 55 7.510 7.938 -0.428 1 1 351 . 4 1 1 A 32 32 LEU HA H 55 4.960 5.174 -0.214 1 1 361 . 4 1 1 A 32 32 LEU C C 55 175.400 175.864 -0.464 1 1 362 . 4 1 1 A 32 32 LEU CA C 55 54.100 53.118 0.982 1 1 363 . 4 1 1 A 32 32 LEU CB C 55 44.400 44.670 -0.270 1 1 367 . 4 1 1 A 32 32 LEU N N 55 119.300 121.511 -2.211 1 1 368 . 4 1 1 A 33 33 ALA H H 56 7.840 8.539 -0.699 1 1 369 . 4 1 1 A 33 33 ALA HA H 56 4.500 4.819 -0.319 1 1 373 . 4 1 1 A 33 33 ALA C C 56 178.200 175.100 3.100 1 1 374 . 4 1 1 A 33 33 ALA CA C 56 51.100 50.416 0.684 1 1 375 . 4 1 1 A 33 33 ALA CB C 56 23.900 23.061 0.839 1 1 376 . 4 1 1 A 33 33 ALA N N 56 121.800 122.525 -0.725 1 1 377 . 4 1 1 A 34 34 LEU H H 57 8.640 8.107 0.533 1 1 378 . 4 1 1 A 34 34 LEU HA H 57 4.930 5.043 -0.113 1 1 388 . 4 1 1 A 34 34 LEU C C 57 174.400 175.720 -1.320 1 1 389 . 4 1 1 A 34 34 LEU CA C 57 53.400 53.571 -0.171 1 1 390 . 4 1 1 A 34 34 LEU CB C 57 47.300 45.701 1.599 1 1 394 . 4 1 1 A 34 34 LEU N N 57 119.200 119.878 -0.678 1 1 395 . 4 1 1 A 35 35 LEU H H 58 8.640 8.307 0.333 1 1 396 . 4 1 1 A 35 35 LEU HA H 58 5.440 5.296 0.144 1 1 406 . 4 1 1 A 35 35 LEU C C 58 176.200 175.704 0.496 1 1 407 . 4 1 1 A 35 35 LEU CA C 58 52.600 53.457 -0.857 1 1 408 . 4 1 1 A 35 35 LEU CB C 58 46.000 44.747 1.253 1 1 412 . 4 1 1 A 35 35 LEU N N 58 119.400 121.789 -2.389 1 1 413 . 4 1 1 A 36 36 VAL H H 59 8.960 8.956 0.004 1 1 414 . 4 1 1 A 36 36 VAL HA H 59 4.860 4.706 0.154 1 1 422 . 4 1 1 A 36 36 VAL C C 59 176.400 175.101 1.299 1 1 423 . 4 1 1 A 36 36 VAL CA C 59 59.900 60.170 -0.270 1 1 424 . 4 1 1 A 36 36 VAL CB C 59 34.600 34.874 -0.274 1 1 427 . 4 1 1 A 36 36 VAL N N 59 120.700 123.250 -2.550 1 1 428 . 4 1 1 A 37 37 VAL H H 60 8.830 8.637 0.193 1 1 429 . 4 1 1 A 37 37 VAL HA H 60 4.170 4.076 0.094 1 1 437 . 4 1 1 A 37 37 VAL C C 60 176.000 175.690 0.310 1 1 438 . 4 1 1 A 37 37 VAL CA C 60 63.900 63.746 0.154 1 1 439 . 4 1 1 A 37 37 VAL CB C 60 31.400 32.036 -0.636 1 1 442 . 4 1 1 A 37 37 VAL N N 60 125.700 126.680 -0.980 1 1 443 . 4 1 1 A 38 38 LYS H H 61 9.400 8.901 0.499 1 1 444 . 4 1 1 A 38 38 LYS HA H 61 4.450 4.312 0.138 1 1 453 . 4 1 1 A 38 38 LYS C C 61 176.000 175.598 0.402 1 1 454 . 4 1 1 A 38 38 LYS CA C 61 56.900 57.953 -1.053 1 1 455 . 4 1 1 A 38 38 LYS CB C 61 34.200 33.596 0.604 1 1 459 . 4 1 1 A 38 38 LYS N N 61 131.900 128.401 3.499 1 1 460 . 4 1 1 A 39 39 ARG H H 62 7.990 7.624 0.366 1 1 461 . 4 1 1 A 39 39 ARG HA H 62 4.700 4.812 -0.112 1 1 469 . 4 1 1 A 39 39 ARG C C 62 173.600 175.223 -1.623 1 1 470 . 4 1 1 A 39 39 ARG CA C 62 55.100 54.523 0.577 1 1 471 . 4 1 1 A 39 39 ARG CB C 62 34.100 34.129 -0.029 1 1 474 . 4 1 1 A 39 39 ARG N N 62 117.300 118.442 -1.142 1 1 476 . 4 1 1 A 40 40 GLY H H 63 8.480 8.412 0.068 1 1 477 . 4 1 1 A 40 40 GLY HA2 H 63 4.290 4.168 0.122 1 1 478 . 4 1 1 A 40 40 GLY HA3 H 63 3.580 4.255 -0.675 1 1 479 . 4 1 1 A 40 40 GLY CA C 63 43.800 44.765 -0.965 1 1 480 . 4 1 1 A 40 40 GLY N N 63 110.800 109.132 1.668 1 1 481 . 4 1 1 A 41 41 PRO HA H 64 4.300 4.458 -0.158 1 1 488 . 4 1 1 A 41 41 PRO C C 64 175.900 178.465 -2.565 1 1 489 . 4 1 1 A 41 41 PRO CA C 64 64.400 64.628 -0.228 1 1 490 . 4 1 1 A 41 41 PRO CB C 64 31.500 32.010 -0.510 1 1 493 . 4 1 1 A 42 42 ASN H H 65 8.310 8.017 0.293 1 1 494 . 4 1 1 A 42 42 ASN HA H 65 4.770 4.643 0.127 1 1 499 . 4 1 1 A 42 42 ASN C C 65 177.500 175.877 1.623 1 1 500 . 4 1 1 A 42 42 ASN CA C 65 52.100 55.831 -3.731 1 1 501 . 4 1 1 A 42 42 ASN CB C 65 36.700 38.520 -1.820 1 1 503 . 4 1 1 A 42 42 ASN N N 65 114.500 115.589 -1.089 1 1 505 . 4 1 1 A 43 43 ALA H H 66 7.470 8.100 -0.630 1 1 506 . 4 1 1 A 43 43 ALA HA H 66 3.690 4.181 -0.491 1 1 510 . 4 1 1 A 43 43 ALA C C 66 177.800 177.109 0.691 1 1 511 . 4 1 1 A 43 43 ALA CA C 66 54.200 53.041 1.159 1 1 512 . 4 1 1 A 43 43 ALA CB C 66 17.700 18.546 -0.846 1 1 513 . 4 1 1 A 43 43 ALA N N 66 122.100 120.491 1.609 1 1 514 . 4 1 1 A 44 44 GLY H H 67 9.120 8.774 0.346 1 1 515 . 4 1 1 A 44 44 GLY HA2 H 67 4.440 3.996 0.444 1 1 516 . 4 1 1 A 44 44 GLY HA3 H 67 3.490 4.000 -0.510 1 1 517 . 4 1 1 A 44 44 GLY C C 67 174.900 174.113 0.787 1 1 518 . 4 1 1 A 44 44 GLY CA C 67 44.600 44.984 -0.384 1 1 519 . 4 1 1 A 44 44 GLY N N 67 111.800 111.371 0.429 1 1 520 . 4 1 1 A 45 45 SER H H 68 8.090 7.968 0.122 1 1 521 . 4 1 1 A 45 45 SER HA H 68 4.280 4.366 -0.086 1 1 524 . 4 1 1 A 45 45 SER C C 68 171.500 173.829 -2.329 1 1 525 . 4 1 1 A 45 45 SER CA C 68 60.500 59.256 1.244 1 1 526 . 4 1 1 A 45 45 SER CB C 68 63.800 63.707 0.093 1 1 527 . 4 1 1 A 45 45 SER N N 68 117.400 117.713 -0.313 1 1 528 . 4 1 1 A 46 46 ARG H H 69 8.120 8.629 -0.509 1 1 529 . 4 1 1 A 46 46 ARG HA H 69 5.140 5.069 0.071 1 1 537 . 4 1 1 A 46 46 ARG C C 69 174.600 173.651 0.949 1 1 538 . 4 1 1 A 46 46 ARG CA C 69 54.200 54.017 0.183 1 1 539 . 4 1 1 A 46 46 ARG CB C 69 33.900 34.125 -0.225 1 1 542 . 4 1 1 A 46 46 ARG N N 69 119.800 120.852 -1.052 1 1 544 . 4 1 1 A 47 47 PHE H H 70 9.180 8.271 0.909 1 1 545 . 4 1 1 A 47 47 PHE HA H 70 4.720 4.969 -0.249 1 1 553 . 4 1 1 A 47 47 PHE C C 70 173.900 174.160 -0.260 1 1 554 . 4 1 1 A 47 47 PHE CA C 70 56.400 56.611 -0.211 1 1 555 . 4 1 1 A 47 47 PHE CB C 70 41.500 43.013 -1.513 1 1 561 . 4 1 1 A 47 47 PHE N N 70 120.800 117.599 3.201 1 1 562 . 4 1 1 A 48 48 LEU H H 71 8.720 9.033 -0.313 1 1 563 . 4 1 1 A 48 48 LEU HA H 71 4.450 4.943 -0.493 1 1 573 . 4 1 1 A 48 48 LEU C C 71 176.300 174.713 1.587 1 1 574 . 4 1 1 A 48 48 LEU CA C 71 54.900 53.872 1.028 1 1 575 . 4 1 1 A 48 48 LEU CB C 71 43.200 44.531 -1.331 1 1 579 . 4 1 1 A 48 48 LEU N N 71 125.300 124.603 0.697 1 1 580 . 4 1 1 A 49 49 LEU H H 72 8.730 8.928 -0.198 1 1 581 . 4 1 1 A 49 49 LEU HA H 72 4.770 4.576 0.194 1 1 591 . 4 1 1 A 49 49 LEU C C 72 174.800 176.755 -1.955 1 1 592 . 4 1 1 A 49 49 LEU CA C 72 53.200 54.104 -0.904 1 1 593 . 4 1 1 A 49 49 LEU CB C 72 40.900 40.280 0.620 1 1 597 . 4 1 1 A 49 49 LEU N N 72 126.900 128.423 -1.523 1 1 598 . 4 1 1 A 50 50 ASP H H 73 8.350 7.989 0.361 1 1 599 . 4 1 1 A 50 50 ASP HA H 73 4.790 4.759 0.031 1 1 602 . 4 1 1 A 50 50 ASP C C 73 175.600 175.706 -0.106 1 1 603 . 4 1 1 A 50 50 ASP CA C 73 53.000 53.560 -0.560 1 1 604 . 4 1 1 A 50 50 ASP CB C 73 41.400 40.068 1.332 1 1 605 . 4 1 1 A 50 50 ASP N N 73 120.400 122.331 -1.931 1 1 606 . 4 1 1 A 51 51 GLN H H 74 7.670 7.538 0.132 1 1 607 . 4 1 1 A 51 51 GLN HA H 74 4.660 4.648 0.012 1 1 614 . 4 1 1 A 51 51 GLN C C 74 175.400 176.625 -1.225 1 1 615 . 4 1 1 A 51 51 GLN CA C 74 53.700 54.369 -0.669 1 1 616 . 4 1 1 A 51 51 GLN CB C 74 31.300 31.280 0.020 1 1 619 . 4 1 1 A 51 51 GLN N N 74 116.200 119.281 -3.081 1 1 621 . 4 1 1 A 52 52 ALA H H 75 8.720 8.778 -0.058 1 1 622 . 4 1 1 A 52 52 ALA HA H 75 4.170 4.180 -0.010 1 1 626 . 4 1 1 A 52 52 ALA C C 75 178.300 177.781 0.519 1 1 627 . 4 1 1 A 52 52 ALA CA C 75 55.700 54.538 1.162 1 1 628 . 4 1 1 A 52 52 ALA CB C 75 18.500 19.320 -0.820 1 1 629 . 4 1 1 A 52 52 ALA N N 75 123.200 123.213 -0.013 1 1 630 . 4 1 1 A 53 53 ILE H H 76 8.030 7.948 0.082 1 1 631 . 4 1 1 A 53 53 ILE HA H 76 4.650 4.865 -0.215 1 1 641 . 4 1 1 A 53 53 ILE C C 76 175.100 174.388 0.712 1 1 642 . 4 1 1 A 53 53 ILE CA C 76 61.100 60.192 0.908 1 1 643 . 4 1 1 A 53 53 ILE CB C 76 40.500 41.145 -0.645 1 1 647 . 4 1 1 A 53 53 ILE N N 76 115.400 117.287 -1.887 1 1 648 . 4 1 1 A 54 54 THR H H 77 8.840 8.991 -0.151 1 1 649 . 4 1 1 A 54 54 THR HA H 77 4.940 5.003 -0.063 1 1 654 . 4 1 1 A 54 54 THR C C 77 174.600 174.744 -0.144 1 1 655 . 4 1 1 A 54 54 THR CA C 77 61.400 61.564 -0.164 1 1 656 . 4 1 1 A 54 54 THR CB C 77 70.300 71.146 -0.846 1 1 658 . 4 1 1 A 54 54 THR N N 77 125.300 124.768 0.532 1 1 659 . 4 1 1 A 55 55 SER H H 78 10.690 9.016 1.674 1 1 660 . 4 1 1 A 55 55 SER HA H 78 4.720 4.808 -0.088 1 1 663 . 4 1 1 A 55 55 SER C C 78 172.600 174.629 -2.029 1 1 664 . 4 1 1 A 55 55 SER CA C 78 57.800 57.716 0.084 1 1 665 . 4 1 1 A 55 55 SER CB C 78 65.200 65.074 0.126 1 1 666 . 4 1 1 A 55 55 SER N N 78 126.300 121.239 5.061 1 1 667 . 4 1 1 A 56 56 ALA H H 79 8.840 8.033 0.807 1 1 668 . 4 1 1 A 56 56 ALA HA H 79 5.720 4.543 1.177 1 1 672 . 4 1 1 A 56 56 ALA C C 79 175.800 178.051 -2.251 1 1 673 . 4 1 1 A 56 56 ALA CA C 79 49.800 50.984 -1.184 1 1 674 . 4 1 1 A 56 56 ALA CB C 79 21.900 21.045 0.855 1 1 675 . 4 1 1 A 56 56 ALA N N 79 123.200 123.708 -0.508 1 1 676 . 4 1 1 A 57 57 GLY H H 80 8.410 8.631 -0.221 1 1 677 . 4 1 1 A 57 57 GLY HA2 H 80 4.400 3.889 0.511 1 1 678 . 4 1 1 A 57 57 GLY HA3 H 80 3.970 3.916 0.054 1 1 679 . 4 1 1 A 57 57 GLY C C 80 174.800 173.509 1.291 1 1 680 . 4 1 1 A 57 57 GLY CA C 80 46.300 46.986 -0.686 1 1 681 . 4 1 1 A 57 57 GLY N N 80 108.700 107.520 1.180 1 1 682 . 4 1 1 A 58 58 ARG H H 81 8.330 8.473 -0.143 1 1 683 . 4 1 1 A 58 58 ARG HA H 81 4.440 5.058 -0.618 1 1 690 . 4 1 1 A 58 58 ARG C C 81 176.400 175.026 1.374 1 1 691 . 4 1 1 A 58 58 ARG CA C 81 54.700 55.269 -0.569 1 1 692 . 4 1 1 A 58 58 ARG CB C 81 32.300 32.636 -0.336 1 1 695 . 4 1 1 A 58 58 ARG N N 81 120.400 124.511 -4.111 1 1 696 . 4 1 1 A 59 59 HIS H H 82 9.040 8.455 0.585 1 1 697 . 4 1 1 A 59 59 HIS HA H 82 4.280 5.000 -0.720 1 1 702 . 4 1 1 A 59 59 HIS CA C 82 56.800 54.773 2.027 1 1 703 . 4 1 1 A 59 59 HIS CB C 82 30.900 33.702 -2.802 1 1 705 . 4 1 1 A 59 59 HIS N N 82 124.300 124.079 0.221 1 1 708 . 4 1 1 A 60 60 PRO HA H 83 3.640 4.303 -0.663 1 1 715 . 4 1 1 A 60 60 PRO C C 83 177.000 176.713 0.287 1 1 716 . 4 1 1 A 60 60 PRO CA C 83 64.800 65.916 -1.116 1 1 717 . 4 1 1 A 60 60 PRO CB C 83 31.700 31.537 0.163 1 1 720 . 4 1 1 A 61 61 ASP H H 84 11.140 8.478 2.662 1 1 721 . 4 1 1 A 61 61 ASP HA H 84 4.700 4.896 -0.196 1 1 724 . 4 1 1 A 61 61 ASP C C 84 177.400 174.608 2.792 1 1 725 . 4 1 1 A 61 61 ASP CA C 84 53.900 53.489 0.411 1 1 726 . 4 1 1 A 61 61 ASP CB C 84 40.500 40.186 0.314 1 1 727 . 4 1 1 A 61 61 ASP N N 84 121.600 117.591 4.009 1 1 728 . 4 1 1 A 62 62 SER H H 85 8.190 8.119 0.071 1 1 729 . 4 1 1 A 62 62 SER HA H 85 4.030 4.779 -0.749 1 1 733 . 4 1 1 A 62 62 SER C C 85 173.400 173.358 0.042 1 1 734 . 4 1 1 A 62 62 SER CA C 85 60.400 57.723 2.677 1 1 735 . 4 1 1 A 62 62 SER CB C 85 65.200 65.770 -0.570 1 1 736 . 4 1 1 A 62 62 SER N N 85 118.100 116.680 1.420 1 1 737 . 4 1 1 A 63 63 ASP H H 86 8.270 8.535 -0.265 1 1 738 . 4 1 1 A 63 63 ASP HA H 86 4.390 4.583 -0.193 1 1 741 . 4 1 1 A 63 63 ASP C C 86 177.200 176.907 0.293 1 1 742 . 4 1 1 A 63 63 ASP CA C 86 58.300 57.123 1.177 1 1 743 . 4 1 1 A 63 63 ASP CB C 86 42.100 41.388 0.712 1 1 744 . 4 1 1 A 63 63 ASP N N 86 125.600 123.267 2.333 1 1 745 . 4 1 1 A 64 64 ILE H H 87 8.470 7.282 1.188 1 1 746 . 4 1 1 A 64 64 ILE HA H 87 3.560 2.884 0.676 1 1 756 . 4 1 1 A 64 64 ILE C C 87 172.900 174.614 -1.714 1 1 757 . 4 1 1 A 64 64 ILE CA C 87 60.500 61.203 -0.703 1 1 758 . 4 1 1 A 64 64 ILE CB C 87 37.400 37.721 -0.321 1 1 762 . 4 1 1 A 64 64 ILE N N 87 119.500 119.418 0.082 1 1 763 . 4 1 1 A 65 65 PHE H H 88 8.100 8.569 -0.469 1 1 764 . 4 1 1 A 65 65 PHE HA H 88 5.010 4.866 0.144 1 1 772 . 4 1 1 A 65 65 PHE C C 88 174.000 174.330 -0.330 1 1 773 . 4 1 1 A 65 65 PHE CA C 88 55.600 56.215 -0.615 1 1 774 . 4 1 1 A 65 65 PHE CB C 88 38.800 39.863 -1.063 1 1 779 . 4 1 1 A 65 65 PHE N N 88 127.100 126.209 0.891 1 1 780 . 4 1 1 A 66 66 LEU H H 89 7.710 8.392 -0.682 1 1 781 . 4 1 1 A 66 66 LEU HA H 89 3.620 4.869 -1.249 1 1 791 . 4 1 1 A 66 66 LEU C C 89 173.500 174.751 -1.251 1 1 792 . 4 1 1 A 66 66 LEU CA C 89 52.100 53.855 -1.755 1 1 793 . 4 1 1 A 66 66 LEU CB C 89 41.300 41.824 -0.524 1 1 797 . 4 1 1 A 66 66 LEU N N 89 131.900 125.838 6.062 1 1 798 . 4 1 1 A 67 67 ASP H H 90 7.980 8.881 -0.901 1 1 799 . 4 1 1 A 67 67 ASP HA H 90 4.260 5.061 -0.801 1 1 802 . 4 1 1 A 67 67 ASP C C 90 174.800 174.998 -0.198 1 1 803 . 4 1 1 A 67 67 ASP CA C 90 53.100 53.395 -0.295 1 1 804 . 4 1 1 A 67 67 ASP CB C 90 39.900 40.590 -0.690 1 1 805 . 4 1 1 A 67 67 ASP N N 90 120.000 125.584 -5.584 1 1 806 . 4 1 1 A 68 68 ASP H H 91 7.480 7.666 -0.186 1 1 807 . 4 1 1 A 68 68 ASP HA H 91 4.850 5.171 -0.321 1 1 810 . 4 1 1 A 68 68 ASP C C 91 175.600 176.376 -0.776 1 1 811 . 4 1 1 A 68 68 ASP CA C 91 54.900 52.960 1.940 1 1 812 . 4 1 1 A 68 68 ASP CB C 91 48.500 44.921 3.579 1 1 813 . 4 1 1 A 68 68 ASP N N 91 121.400 123.904 -2.504 1 1 814 . 4 1 1 A 69 69 VAL H H 92 8.370 8.919 -0.549 1 1 815 . 4 1 1 A 69 69 VAL HA H 92 4.060 3.882 0.178 1 1 823 . 4 1 1 A 69 69 VAL C C 92 175.900 177.562 -1.662 1 1 824 . 4 1 1 A 69 69 VAL CA C 92 64.800 65.376 -0.576 1 1 825 . 4 1 1 A 69 69 VAL CB C 92 31.700 31.640 0.060 1 1 828 . 4 1 1 A 69 69 VAL N N 92 121.900 122.193 -0.293 1 1 829 . 4 1 1 A 70 70 THR H H 93 8.360 7.705 0.655 1 1 830 . 4 1 1 A 70 70 THR HA H 93 4.060 4.253 -0.193 1 1 836 . 4 1 1 A 70 70 THR C C 93 175.100 174.483 0.617 1 1 837 . 4 1 1 A 70 70 THR CA C 93 63.700 63.431 0.269 1 1 838 . 4 1 1 A 70 70 THR CB C 93 70.300 69.139 1.161 1 1 840 . 4 1 1 A 70 70 THR N N 93 111.100 112.116 -1.016 1 1 841 . 4 1 1 A 71 71 VAL H H 94 8.240 7.513 0.727 1 1 842 . 4 1 1 A 71 71 VAL HA H 94 4.520 4.386 0.134 1 1 850 . 4 1 1 A 71 71 VAL C C 94 176.800 175.675 1.125 1 1 851 . 4 1 1 A 71 71 VAL CA C 94 61.200 60.674 0.526 1 1 852 . 4 1 1 A 71 71 VAL CB C 94 33.500 33.113 0.387 1 1 855 . 4 1 1 A 71 71 VAL N N 94 125.500 123.563 1.937 1 1 856 . 4 1 1 A 72 72 SER H H 95 11.410 8.897 2.513 1 1 857 . 4 1 1 A 72 72 SER HA H 95 4.670 4.787 -0.117 1 1 860 . 4 1 1 A 72 72 SER C C 95 174.500 175.971 -1.471 1 1 861 . 4 1 1 A 72 72 SER CA C 95 60.600 57.313 3.287 1 1 862 . 4 1 1 A 72 72 SER CB C 95 64.200 65.542 -1.342 1 1 863 . 4 1 1 A 72 72 SER N N 95 126.800 122.966 3.834 1 1 864 . 4 1 1 A 73 73 ARG H H 96 9.260 8.753 0.507 1 1 865 . 4 1 1 A 73 73 ARG HA H 96 3.770 4.135 -0.365 1 1 873 . 4 1 1 A 73 73 ARG C C 96 176.600 176.520 0.080 1 1 874 . 4 1 1 A 73 73 ARG CA C 96 61.300 59.084 2.216 1 1 875 . 4 1 1 A 73 73 ARG CB C 96 29.800 30.450 -0.650 1 1 878 . 4 1 1 A 73 73 ARG N N 96 124.600 121.122 3.478 1 1 880 . 4 1 1 A 74 74 ARG H H 97 7.800 7.809 -0.009 1 1 881 . 4 1 1 A 74 74 ARG HA H 97 4.440 4.574 -0.134 1 1 889 . 4 1 1 A 74 74 ARG C C 97 173.100 176.549 -3.449 1 1 890 . 4 1 1 A 74 74 ARG CA C 97 54.800 55.186 -0.386 1 1 891 . 4 1 1 A 74 74 ARG CB C 97 29.300 30.534 -1.234 1 1 894 . 4 1 1 A 74 74 ARG N N 97 114.800 116.380 -1.580 1 1 896 . 4 1 1 A 75 75 HIS H H 98 7.840 7.856 -0.016 1 1 897 . 4 1 1 A 75 75 HIS HA H 98 4.430 4.235 0.195 1 1 903 . 4 1 1 A 75 75 HIS C C 98 173.800 174.444 -0.644 1 1 904 . 4 1 1 A 75 75 HIS CA C 98 57.800 59.706 -1.906 1 1 905 . 4 1 1 A 75 75 HIS CB C 98 35.000 30.289 4.711 1 1 908 . 4 1 1 A 75 75 HIS N N 98 124.400 118.911 5.489 1 1 910 . 4 1 1 A 76 76 ALA H H 99 8.490 7.508 0.982 1 1 911 . 4 1 1 A 76 76 ALA HA H 99 5.580 4.422 1.158 1 1 915 . 4 1 1 A 76 76 ALA C C 99 176.500 174.629 1.871 1 1 916 . 4 1 1 A 76 76 ALA CA C 99 50.300 51.181 -0.881 1 1 917 . 4 1 1 A 76 76 ALA CB C 99 23.200 22.618 0.582 1 1 918 . 4 1 1 A 76 76 ALA N N 99 116.600 117.924 -1.324 1 1 919 . 4 1 1 A 77 77 GLU H H 100 9.030 8.392 0.638 1 1 920 . 4 1 1 A 77 77 GLU HA H 100 5.030 4.927 0.103 1 1 925 . 4 1 1 A 77 77 GLU C C 100 174.100 174.329 -0.229 1 1 926 . 4 1 1 A 77 77 GLU CA C 100 54.500 54.876 -0.376 1 1 927 . 4 1 1 A 77 77 GLU CB C 100 34.900 33.494 1.406 1 1 929 . 4 1 1 A 77 77 GLU N N 100 118.100 120.132 -2.032 1 1 930 . 4 1 1 A 78 78 PHE H H 101 9.400 8.667 0.733 1 1 931 . 4 1 1 A 78 78 PHE HA H 101 5.400 5.330 0.070 1 1 939 . 4 1 1 A 78 78 PHE C C 101 176.500 174.632 1.868 1 1 940 . 4 1 1 A 78 78 PHE CA C 101 56.700 56.362 0.338 1 1 941 . 4 1 1 A 78 78 PHE CB C 101 41.000 42.048 -1.048 1 1 946 . 4 1 1 A 78 78 PHE N N 101 119.600 123.621 -4.021 1 1 947 . 4 1 1 A 79 79 ARG H H 102 9.720 8.774 0.946 1 1 948 . 4 1 1 A 79 79 ARG HA H 102 5.490 5.074 0.416 1 1 956 . 4 1 1 A 79 79 ARG C C 102 174.300 173.722 0.578 1 1 957 . 4 1 1 A 79 79 ARG CA C 102 54.800 54.407 0.393 1 1 958 . 4 1 1 A 79 79 ARG CB C 102 33.100 33.971 -0.871 1 1 961 . 4 1 1 A 79 79 ARG N N 102 126.100 122.292 3.808 1 1 963 . 4 1 1 A 80 80 LEU H H 103 9.020 8.766 0.254 1 1 964 . 4 1 1 A 80 80 LEU HA H 103 4.400 4.852 -0.452 1 1 974 . 4 1 1 A 80 80 LEU C C 103 176.100 175.153 0.947 1 1 975 . 4 1 1 A 80 80 LEU CA C 103 54.100 53.699 0.401 1 1 976 . 4 1 1 A 80 80 LEU CB C 103 42.600 43.880 -1.280 1 1 980 . 4 1 1 A 80 80 LEU N N 103 128.000 128.116 -0.116 1 1 981 . 4 1 1 A 81 81 GLU H H 104 8.860 8.690 0.170 1 1 982 . 4 1 1 A 81 81 GLU HA H 104 4.430 4.464 -0.034 1 1 987 . 4 1 1 A 81 81 GLU C C 104 175.800 175.684 0.116 1 1 988 . 4 1 1 A 81 81 GLU CA C 104 55.500 56.126 -0.626 1 1 989 . 4 1 1 A 81 81 GLU CB C 104 32.600 32.632 -0.032 1 1 991 . 4 1 1 A 81 81 GLU N N 104 128.600 125.240 3.360 1 1 992 . 4 1 1 A 82 82 ASN H H 105 9.410 9.585 -0.175 1 1 993 . 4 1 1 A 82 82 ASN HA H 105 4.200 4.329 -0.129 1 1 998 . 4 1 1 A 82 82 ASN C C 105 174.300 174.235 0.065 1 1 999 . 4 1 1 A 82 82 ASN CA C 105 54.700 54.140 0.560 1 1 1000 . 4 1 1 A 82 82 ASN CB C 105 37.200 37.117 0.083 1 1 1002 . 4 1 1 A 82 82 ASN N N 105 124.600 124.813 -0.213 1 1 1004 . 4 1 1 A 83 83 ASN H H 106 8.640 8.369 0.271 1 1 1005 . 4 1 1 A 83 83 ASN HA H 106 4.010 4.171 -0.161 1 1 1010 . 4 1 1 A 83 83 ASN C C 106 173.100 173.653 -0.553 1 1 1011 . 4 1 1 A 83 83 ASN CA C 106 54.900 54.608 0.292 1 1 1012 . 4 1 1 A 83 83 ASN CB C 106 38.100 37.033 1.067 1 1 1014 . 4 1 1 A 83 83 ASN N N 106 108.900 108.791 0.109 1 1 1016 . 4 1 1 A 84 84 GLU H H 107 7.660 7.411 0.249 1 1 1017 . 4 1 1 A 84 84 GLU HA H 107 4.660 4.748 -0.088 1 1 1022 . 4 1 1 A 84 84 GLU C C 107 174.300 174.854 -0.554 1 1 1023 . 4 1 1 A 84 84 GLU CA C 107 54.700 54.790 -0.090 1 1 1024 . 4 1 1 A 84 84 GLU CB C 107 32.900 32.964 -0.064 1 1 1026 . 4 1 1 A 84 84 GLU N N 107 118.300 117.136 1.164 1 1 1027 . 4 1 1 A 85 85 PHE H H 108 9.690 8.735 0.955 1 1 1028 . 4 1 1 A 85 85 PHE HA H 108 5.000 4.813 0.187 1 1 1035 . 4 1 1 A 85 85 PHE C C 108 174.500 175.665 -1.165 1 1 1036 . 4 1 1 A 85 85 PHE CA C 108 58.600 58.316 0.284 1 1 1037 . 4 1 1 A 85 85 PHE CB C 108 41.800 40.425 1.375 1 1 1042 . 4 1 1 A 85 85 PHE N N 108 121.100 122.616 -1.516 1 1 1043 . 4 1 1 A 86 86 ASN H H 109 9.180 8.802 0.378 1 1 1044 . 4 1 1 A 86 86 ASN HA H 109 5.580 5.172 0.408 1 1 1049 . 4 1 1 A 86 86 ASN C C 109 175.000 173.001 1.999 1 1 1050 . 4 1 1 A 86 86 ASN CA C 109 51.200 52.162 -0.962 1 1 1051 . 4 1 1 A 86 86 ASN CB C 109 42.100 42.168 -0.068 1 1 1053 . 4 1 1 A 86 86 ASN N N 109 119.400 116.628 2.772 1 1 1055 . 4 1 1 A 87 87 VAL H H 110 9.060 8.680 0.380 1 1 1056 . 4 1 1 A 87 87 VAL HA H 110 4.940 4.807 0.133 1 1 1064 . 4 1 1 A 87 87 VAL C C 110 171.700 173.342 -1.642 1 1 1065 . 4 1 1 A 87 87 VAL CA C 110 58.400 59.573 -1.173 1 1 1066 . 4 1 1 A 87 87 VAL CB C 110 33.800 35.182 -1.382 1 1 1069 . 4 1 1 A 87 87 VAL N N 110 121.300 119.613 1.687 1 1 1070 . 4 1 1 A 88 88 VAL H H 111 8.640 8.895 -0.255 1 1 1071 . 4 1 1 A 88 88 VAL HA H 111 4.590 4.507 0.083 1 1 1079 . 4 1 1 A 88 88 VAL C C 111 175.700 174.113 1.587 1 1 1080 . 4 1 1 A 88 88 VAL CA C 111 60.100 60.605 -0.505 1 1 1081 . 4 1 1 A 88 88 VAL CB C 111 36.200 34.641 1.559 1 1 1084 . 4 1 1 A 88 88 VAL N N 111 125.500 128.134 -2.634 1 1 1085 . 4 1 1 A 89 89 ASP H H 112 8.480 8.428 0.052 1 1 1086 . 4 1 1 A 89 89 ASP HA H 112 4.870 4.907 -0.037 1 1 1089 . 4 1 1 A 89 89 ASP C C 112 177.200 176.838 0.362 1 1 1090 . 4 1 1 A 89 89 ASP CA C 112 54.700 53.519 1.181 1 1 1091 . 4 1 1 A 89 89 ASP CB C 112 43.600 42.558 1.042 1 1 1092 . 4 1 1 A 89 89 ASP N N 112 126.600 127.241 -0.641 1 1 1093 . 4 1 1 A 90 90 VAL H H 113 7.980 8.680 -0.700 1 1 1094 . 4 1 1 A 90 90 VAL HA H 113 4.540 4.406 0.134 1 1 1102 . 4 1 1 A 90 90 VAL C C 113 174.400 176.191 -1.791 1 1 1103 . 4 1 1 A 90 90 VAL CA C 113 60.300 61.754 -1.454 1 1 1104 . 4 1 1 A 90 90 VAL CB C 113 29.500 32.313 -2.813 1 1 1107 . 4 1 1 A 90 90 VAL N N 113 119.700 118.686 1.014 1 1 1108 . 4 1 1 A 91 91 GLY H H 114 8.600 8.048 0.552 1 1 1109 . 4 1 1 A 91 91 GLY HA2 H 114 4.260 3.918 0.342 1 1 1110 . 4 1 1 A 91 91 GLY HA3 H 114 3.720 3.965 -0.245 1 1 1111 . 4 1 1 A 91 91 GLY C C 114 175.300 175.214 0.086 1 1 1112 . 4 1 1 A 91 91 GLY CA C 114 45.700 45.396 0.304 1 1 1113 . 4 1 1 A 91 91 GLY N N 114 111.300 111.272 0.028 1 1 1114 . 4 1 1 A 92 92 SER H H 115 9.190 9.276 -0.086 1 1 1115 . 4 1 1 A 92 92 SER HA H 115 3.890 4.134 -0.244 1 1 1118 . 4 1 1 A 92 92 SER C C 115 174.500 173.568 0.932 1 1 1119 . 4 1 1 A 92 92 SER CA C 115 58.600 59.158 -0.558 1 1 1120 . 4 1 1 A 92 92 SER CB C 115 61.300 61.948 -0.648 1 1 1121 . 4 1 1 A 92 92 SER N N 115 121.000 120.323 0.677 1 1 1122 . 4 1 1 A 93 93 LEU H H 116 7.720 8.415 -0.695 1 1 1123 . 4 1 1 A 93 93 LEU HA H 116 4.250 3.943 0.307 1 1 1133 . 4 1 1 A 93 93 LEU C C 116 179.100 175.516 3.584 1 1 1134 . 4 1 1 A 93 93 LEU CA C 116 57.200 56.343 0.857 1 1 1135 . 4 1 1 A 93 93 LEU CB C 116 42.100 41.652 0.448 1 1 1139 . 4 1 1 A 93 93 LEU N N 116 120.500 119.058 1.442 1 1 1140 . 4 1 1 A 94 94 ASN H H 117 8.450 8.537 -0.087 1 1 1141 . 4 1 1 A 94 94 ASN HA H 117 4.870 5.132 -0.262 1 1 1146 . 4 1 1 A 94 94 ASN C C 117 175.800 174.114 1.686 1 1 1147 . 4 1 1 A 94 94 ASN CA C 117 54.000 52.767 1.233 1 1 1148 . 4 1 1 A 94 94 ASN CB C 117 40.100 40.860 -0.760 1 1 1150 . 4 1 1 A 94 94 ASN N N 117 112.500 117.449 -4.949 1 1 1152 . 4 1 1 A 95 95 GLY H H 118 7.940 7.957 -0.017 1 1 1153 . 4 1 1 A 95 95 GLY HA2 H 118 4.190 3.940 0.250 1 1 1154 . 4 1 1 A 95 95 GLY HA3 H 118 3.610 4.021 -0.411 1 1 1155 . 4 1 1 A 95 95 GLY C C 118 174.000 173.777 0.223 1 1 1156 . 4 1 1 A 95 95 GLY CA C 118 44.300 46.023 -1.723 1 1 1157 . 4 1 1 A 95 95 GLY N N 118 109.800 112.549 -2.749 1 1 1158 . 4 1 1 A 96 96 THR H H 119 8.940 7.954 0.986 1 1 1159 . 4 1 1 A 96 96 THR HA H 119 3.820 3.949 -0.129 1 1 1165 . 4 1 1 A 96 96 THR C C 119 172.300 173.603 -1.303 1 1 1166 . 4 1 1 A 96 96 THR CA C 119 64.100 62.473 1.627 1 1 1167 . 4 1 1 A 96 96 THR CB C 119 70.200 69.216 0.984 1 1 1169 . 4 1 1 A 96 96 THR N N 119 122.000 114.096 7.904 1 1 1170 . 4 1 1 A 97 97 TYR H H 120 8.220 8.784 -0.564 1 1 1171 . 4 1 1 A 97 97 TYR HA H 120 5.340 5.016 0.324 1 1 1178 . 4 1 1 A 97 97 TYR C C 120 175.900 174.271 1.629 1 1 1179 . 4 1 1 A 97 97 TYR CA C 120 55.600 56.215 -0.615 1 1 1180 . 4 1 1 A 97 97 TYR CB C 120 41.400 42.890 -1.490 1 1 1185 . 4 1 1 A 97 97 TYR N N 120 122.800 125.061 -2.261 1 1 1186 . 4 1 1 A 98 98 VAL H H 121 9.040 8.575 0.465 1 1 1187 . 4 1 1 A 98 98 VAL HA H 121 5.010 4.685 0.325 1 1 1195 . 4 1 1 A 98 98 VAL C C 121 176.900 176.812 0.088 1 1 1196 . 4 1 1 A 98 98 VAL CA C 121 61.100 59.701 1.399 1 1 1197 . 4 1 1 A 98 98 VAL CB C 121 33.000 33.933 -0.933 1 1 1200 . 4 1 1 A 98 98 VAL N N 121 121.400 123.172 -1.772 1 1 1201 . 4 1 1 A 99 99 ASN H H 122 10.100 9.053 1.047 1 1 1202 . 4 1 1 A 99 99 ASN HA H 122 4.440 4.398 0.042 1 1 1207 . 4 1 1 A 99 99 ASN C C 122 174.500 177.647 -3.147 1 1 1208 . 4 1 1 A 99 99 ASN CA C 122 55.000 56.848 -1.848 1 1 1209 . 4 1 1 A 99 99 ASN CB C 122 37.000 37.873 -0.873 1 1 1211 . 4 1 1 A 99 99 ASN N N 122 129.400 126.287 3.113 1 1 1213 . 4 1 1 A 100 100 ARG H H 123 9.290 7.831 1.459 1 1 1214 . 4 1 1 A 100 100 ARG HA H 123 3.680 4.143 -0.463 1 1 1222 . 4 1 1 A 100 100 ARG C C 123 175.200 176.756 -1.556 1 1 1223 . 4 1 1 A 100 100 ARG CA C 123 58.100 58.974 -0.874 1 1 1224 . 4 1 1 A 100 100 ARG CB C 123 27.600 30.249 -2.649 1 1 1227 . 4 1 1 A 100 100 ARG N N 123 106.100 118.622 -12.522 1 1 1229 . 4 1 1 A 101 101 GLU H H 124 7.970 7.973 -0.003 1 1 1230 . 4 1 1 A 101 101 GLU HA H 124 5.110 4.773 0.337 1 1 1235 . 4 1 1 A 101 101 GLU CA C 124 53.000 53.169 -0.169 1 1 1236 . 4 1 1 A 101 101 GLU CB C 124 30.900 32.016 -1.116 1 1 1238 . 4 1 1 A 101 101 GLU N N 124 121.300 117.186 4.114 1 1 1239 . 4 1 1 A 102 102 PRO HA H 125 4.050 4.829 -0.779 1 1 1246 . 4 1 1 A 102 102 PRO C C 125 177.500 176.534 0.966 1 1 1247 . 4 1 1 A 102 102 PRO CA C 125 62.300 63.230 -0.930 1 1 1248 . 4 1 1 A 102 102 PRO CB C 125 31.300 31.767 -0.467 1 1 1251 . 4 1 1 A 103 103 VAL H H 126 8.330 8.265 0.065 1 1 1252 . 4 1 1 A 103 103 VAL HA H 126 4.700 4.865 -0.165 1 1 1260 . 4 1 1 A 103 103 VAL C C 126 174.500 175.691 -1.191 1 1 1261 . 4 1 1 A 103 103 VAL CA C 126 58.900 59.525 -0.625 1 1 1262 . 4 1 1 A 103 103 VAL CB C 126 35.300 35.503 -0.203 1 1 1265 . 4 1 1 A 103 103 VAL N N 126 115.000 117.476 -2.476 1 1 1266 . 4 1 1 A 104 104 ASP H H 127 8.520 8.873 -0.353 1 1 1267 . 4 1 1 A 104 104 ASP HA H 127 4.780 4.453 0.327 1 1 1270 . 4 1 1 A 104 104 ASP C C 127 176.200 176.125 0.075 1 1 1271 . 4 1 1 A 104 104 ASP CA C 127 55.800 55.710 0.090 1 1 1272 . 4 1 1 A 104 104 ASP CB C 127 41.100 40.679 0.421 1 1 1273 . 4 1 1 A 104 104 ASP N N 127 120.800 121.296 -0.496 1 1 1274 . 4 1 1 A 105 105 SER H H 128 7.650 7.887 -0.237 1 1 1275 . 4 1 1 A 105 105 SER HA H 128 5.440 4.835 0.605 1 1 1278 . 4 1 1 A 105 105 SER C C 128 173.400 172.750 0.650 1 1 1279 . 4 1 1 A 105 105 SER CA C 128 56.600 57.450 -0.850 1 1 1280 . 4 1 1 A 105 105 SER CB C 128 65.000 65.743 -0.743 1 1 1281 . 4 1 1 A 105 105 SER N N 128 111.500 111.717 -0.217 1 1 1282 . 4 1 1 A 106 106 ALA H H 129 8.790 8.056 0.734 1 1 1283 . 4 1 1 A 106 106 ALA HA H 129 4.610 4.898 -0.288 1 1 1287 . 4 1 1 A 106 106 ALA C C 129 175.300 176.051 -0.751 1 1 1288 . 4 1 1 A 106 106 ALA CA C 129 52.100 51.421 0.679 1 1 1289 . 4 1 1 A 106 106 ALA CB C 129 22.600 23.065 -0.465 1 1 1290 . 4 1 1 A 106 106 ALA N N 129 125.100 121.561 3.539 1 1 1291 . 4 1 1 A 107 107 VAL H H 130 8.340 8.627 -0.287 1 1 1292 . 4 1 1 A 107 107 VAL HA H 130 4.160 4.366 -0.206 1 1 1300 . 4 1 1 A 107 107 VAL C C 130 176.300 175.967 0.333 1 1 1301 . 4 1 1 A 107 107 VAL CA C 130 62.600 61.712 0.888 1 1 1302 . 4 1 1 A 107 107 VAL CB C 130 32.000 32.418 -0.418 1 1 1305 . 4 1 1 A 107 107 VAL N N 130 122.800 118.999 3.801 1 1 1306 . 4 1 1 A 108 108 LEU H H 131 8.490 8.378 0.112 1 1 1307 . 4 1 1 A 108 108 LEU HA H 131 4.370 4.240 0.130 1 1 1317 . 4 1 1 A 108 108 LEU C C 131 175.200 176.117 -0.917 1 1 1318 . 4 1 1 A 108 108 LEU CA C 131 54.200 54.521 -0.321 1 1 1319 . 4 1 1 A 108 108 LEU CB C 131 43.000 41.672 1.328 1 1 1323 . 4 1 1 A 108 108 LEU N N 131 128.900 128.150 0.750 1 1 1324 . 4 1 1 A 109 109 ALA H H 132 9.130 8.734 0.396 1 1 1325 . 4 1 1 A 109 109 ALA HA H 132 4.750 4.912 -0.162 1 1 1329 . 4 1 1 A 109 109 ALA C C 132 176.500 175.868 0.632 1 1 1330 . 4 1 1 A 109 109 ALA CA C 132 49.700 51.032 -1.332 1 1 1331 . 4 1 1 A 109 109 ALA CB C 132 22.400 23.273 -0.873 1 1 1332 . 4 1 1 A 109 109 ALA N N 132 126.000 122.206 3.794 1 1 1333 . 4 1 1 A 110 110 ASN H H 133 8.860 8.816 0.044 1 1 1334 . 4 1 1 A 110 110 ASN HA H 133 4.430 4.462 -0.032 1 1 1339 . 4 1 1 A 110 110 ASN C C 133 176.400 176.429 -0.029 1 1 1340 . 4 1 1 A 110 110 ASN CA C 133 56.400 55.042 1.358 1 1 1341 . 4 1 1 A 110 110 ASN CB C 133 39.800 38.130 1.670 1 1 1343 . 4 1 1 A 110 110 ASN N N 133 117.600 120.468 -2.868 1 1 1345 . 4 1 1 A 111 111 GLY H H 134 10.100 8.878 1.222 1 1 1346 . 4 1 1 A 111 111 GLY HA2 H 134 4.430 3.931 0.499 1 1 1347 . 4 1 1 A 111 111 GLY HA3 H 134 3.410 3.943 -0.533 1 1 1348 . 4 1 1 A 111 111 GLY C C 134 174.800 174.327 0.473 1 1 1349 . 4 1 1 A 111 111 GLY CA C 134 45.100 45.654 -0.554 1 1 1350 . 4 1 1 A 111 111 GLY N N 134 117.200 113.732 3.468 1 1 1351 . 4 1 1 A 112 112 ASP H H 135 8.640 8.114 0.526 1 1 1352 . 4 1 1 A 112 112 ASP HA H 135 4.430 4.956 -0.526 1 1 1355 . 4 1 1 A 112 112 ASP C C 135 174.700 175.276 -0.576 1 1 1356 . 4 1 1 A 112 112 ASP CA C 135 56.200 53.884 2.316 1 1 1357 . 4 1 1 A 112 112 ASP CB C 135 42.100 42.134 -0.034 1 1 1358 . 4 1 1 A 112 112 ASP N N 135 122.900 120.819 2.081 1 1 1359 . 4 1 1 A 113 113 GLU H H 136 8.360 8.665 -0.305 1 1 1360 . 4 1 1 A 113 113 GLU HA H 136 5.220 5.139 0.081 1 1 1365 . 4 1 1 A 113 113 GLU C C 136 176.000 175.621 0.379 1 1 1366 . 4 1 1 A 113 113 GLU CA C 136 54.400 54.857 -0.457 1 1 1367 . 4 1 1 A 113 113 GLU CB C 136 32.900 32.133 0.767 1 1 1369 . 4 1 1 A 113 113 GLU N N 136 119.000 120.572 -1.572 1 1 1370 . 4 1 1 A 114 114 VAL H H 137 9.800 8.774 1.026 1 1 1371 . 4 1 1 A 114 114 VAL HA H 137 5.160 4.958 0.202 1 1 1379 . 4 1 1 A 114 114 VAL C C 137 174.400 175.067 -0.667 1 1 1380 . 4 1 1 A 114 114 VAL CA C 137 60.400 60.928 -0.528 1 1 1381 . 4 1 1 A 114 114 VAL CB C 137 34.300 34.805 -0.505 1 1 1384 . 4 1 1 A 114 114 VAL N N 137 129.000 124.101 4.899 1 1 1385 . 4 1 1 A 115 115 GLN H H 138 9.610 9.074 0.536 1 1 1386 . 4 1 1 A 115 115 GLN HA H 138 5.430 5.182 0.248 1 1 1393 . 4 1 1 A 115 115 GLN C C 138 174.800 174.606 0.194 1 1 1394 . 4 1 1 A 115 115 GLN CA C 138 54.500 54.172 0.328 1 1 1395 . 4 1 1 A 115 115 GLN CB C 138 30.700 31.898 -1.198 1 1 1398 . 4 1 1 A 115 115 GLN N N 138 129.300 124.195 5.105 1 1 1399 . 4 1 1 A 116 116 ILE H H 139 8.400 8.797 -0.397 1 1 1400 . 4 1 1 A 116 116 ILE HA H 139 4.020 4.556 -0.536 1 1 1410 . 4 1 1 A 116 116 ILE C C 139 174.500 176.462 -1.962 1 1 1411 . 4 1 1 A 116 116 ILE CA C 139 60.600 60.189 0.411 1 1 1412 . 4 1 1 A 116 116 ILE CB C 139 40.900 39.962 0.938 1 1 1416 . 4 1 1 A 116 116 ILE N N 139 128.300 124.787 3.513 1 1 1417 . 4 1 1 A 117 117 GLY H H 140 9.650 9.258 0.392 1 1 1418 . 4 1 1 A 117 117 GLY HA2 H 140 3.820 3.992 -0.172 1 1 1419 . 4 1 1 A 117 117 GLY HA3 H 140 3.630 4.038 -0.408 1 1 1420 . 4 1 1 A 117 117 GLY C C 140 175.400 175.026 0.374 1 1 1421 . 4 1 1 A 117 117 GLY CA C 140 46.500 47.348 -0.848 1 1 1422 . 4 1 1 A 117 117 GLY N N 140 116.800 117.446 -0.646 1 1 1423 . 4 1 1 A 118 118 LYS H H 141 7.960 8.915 -0.955 1 1 1424 . 4 1 1 A 118 118 LYS HA H 141 4.070 4.386 -0.316 1 1 1433 . 4 1 1 A 118 118 LYS C C 141 175.600 176.627 -1.027 1 1 1434 . 4 1 1 A 118 118 LYS CA C 141 56.700 57.590 -0.890 1 1 1435 . 4 1 1 A 118 118 LYS CB C 141 32.600 32.947 -0.347 1 1 1439 . 4 1 1 A 118 118 LYS N N 141 122.400 126.169 -3.769 1 1 1440 . 4 1 1 A 119 119 PHE H H 142 8.260 7.865 0.395 1 1 1441 . 4 1 1 A 119 119 PHE HA H 142 4.540 4.972 -0.432 1 1 1449 . 4 1 1 A 119 119 PHE C C 142 174.700 175.466 -0.766 1 1 1450 . 4 1 1 A 119 119 PHE CA C 142 58.200 57.720 0.480 1 1 1451 . 4 1 1 A 119 119 PHE CB C 142 39.900 40.932 -1.032 1 1 1456 . 4 1 1 A 119 119 PHE N N 142 119.500 117.473 2.027 1 1 1457 . 4 1 1 A 120 120 ARG H H 143 8.690 8.812 -0.122 1 1 1458 . 4 1 1 A 120 120 ARG HA H 143 5.020 5.178 -0.158 1 1 1465 . 4 1 1 A 120 120 ARG C C 143 174.800 175.543 -0.743 1 1 1466 . 4 1 1 A 120 120 ARG CA C 143 55.100 55.143 -0.043 1 1 1467 . 4 1 1 A 120 120 ARG CB C 143 32.800 33.151 -0.351 1 1 1470 . 4 1 1 A 120 120 ARG N N 143 121.500 122.258 -0.758 1 1 1471 . 4 1 1 A 121 121 LEU H H 144 9.760 8.999 0.761 1 1 1472 . 4 1 1 A 121 121 LEU HA H 144 5.420 5.178 0.242 1 1 1482 . 4 1 1 A 121 121 LEU C C 144 175.000 175.431 -0.431 1 1 1483 . 4 1 1 A 121 121 LEU CA C 144 53.900 53.482 0.418 1 1 1484 . 4 1 1 A 121 121 LEU CB C 144 44.900 46.821 -1.921 1 1 1488 . 4 1 1 A 121 121 LEU N N 144 126.400 124.194 2.206 1 1 1489 . 4 1 1 A 122 122 VAL H H 145 9.370 8.844 0.526 1 1 1490 . 4 1 1 A 122 122 VAL HA H 145 5.010 5.143 -0.133 1 1 1498 . 4 1 1 A 122 122 VAL C C 145 173.700 173.170 0.530 1 1 1499 . 4 1 1 A 122 122 VAL CA C 145 60.800 59.668 1.132 1 1 1500 . 4 1 1 A 122 122 VAL CB C 145 34.300 35.086 -0.786 1 1 1503 . 4 1 1 A 122 122 VAL N N 145 121.900 120.663 1.237 1 1 1504 . 4 1 1 A 123 123 PHE H H 146 8.830 9.244 -0.414 1 1 1505 . 4 1 1 A 123 123 PHE HA H 146 4.980 4.982 -0.002 1 1 1513 . 4 1 1 A 123 123 PHE C C 146 172.700 174.002 -1.302 1 1 1514 . 4 1 1 A 123 123 PHE CA C 146 57.100 56.416 0.684 1 1 1515 . 4 1 1 A 123 123 PHE CB C 146 41.100 40.425 0.675 1 1 1521 . 4 1 1 A 123 123 PHE N N 146 128.700 130.161 -1.461 1 1 1522 . 4 1 1 A 124 124 LEU H H 147 8.650 8.450 0.200 1 1 1523 . 4 1 1 A 124 124 LEU HA H 147 5.020 4.990 0.030 1 1 1533 . 4 1 1 A 124 124 LEU C C 147 175.300 175.492 -0.192 1 1 1534 . 4 1 1 A 124 124 LEU CA C 147 52.600 53.240 -0.640 1 1 1535 . 4 1 1 A 124 124 LEU CB C 147 45.600 45.586 0.014 1 1 1539 . 4 1 1 A 124 124 LEU N N 147 128.000 128.360 -0.360 1 1 1540 . 4 1 1 A 125 125 THR H H 148 8.300 8.604 -0.304 1 1 1541 . 4 1 1 A 125 125 THR HA H 148 4.330 4.869 -0.539 1 1 1546 . 4 1 1 A 125 125 THR C C 148 173.900 174.757 -0.857 1 1 1547 . 4 1 1 A 125 125 THR CA C 148 60.200 59.421 0.779 1 1 1548 . 4 1 1 A 125 125 THR CB C 148 70.300 72.143 -1.843 1 1 1550 . 4 1 1 A 125 125 THR N N 148 110.600 113.378 -2.778 1 1 1551 . 4 1 1 A 126 126 GLY H H 149 8.310 8.888 -0.578 1 1 1552 . 4 1 1 A 126 126 GLY HA2 H 149 3.840 3.922 -0.082 1 1 1553 . 4 1 1 A 126 126 GLY HA3 H 149 3.840 3.925 -0.085 1 1 1554 . 4 1 1 A 126 126 GLY CA C 149 45.200 46.050 -0.850 1 1 1555 . 4 1 1 A 126 126 GLY N N 149 109.800 109.757 0.043 1 1 1556 . 4 1 1 A 127 127 HIS H H 150 8.310 8.638 -0.328 1 1 1557 . 4 1 1 A 127 127 HIS HA H 150 4.630 4.653 -0.023 1 1 1562 . 4 1 1 A 127 127 HIS C C 150 174.800 173.848 0.952 1 1 1563 . 4 1 1 A 127 127 HIS CA C 150 55.900 56.313 -0.413 1 1 1564 . 4 1 1 A 127 127 HIS CB C 150 30.700 28.960 1.740 1 1 1567 . 4 1 1 A 127 127 HIS N N 150 119.300 116.814 2.486 1 1 1570 . 4 1 1 A 128 128 LYS H H 151 8.490 8.037 0.453 1 1 1571 . 4 1 1 A 128 128 LYS HA H 151 4.300 4.092 0.208 1 1 1580 . 4 1 1 A 128 128 LYS C C 151 176.200 176.740 -0.540 1 1 1581 . 4 1 1 A 128 128 LYS CA C 151 56.100 56.282 -0.182 1 1 1582 . 4 1 1 A 128 128 LYS CB C 151 33.200 32.523 0.677 1 1 1586 . 4 1 1 A 128 128 LYS N N 151 123.800 123.535 0.265 1 1 1587 . 4 1 1 A 129 129 GLN H H 152 8.640 8.542 0.098 1 1 1588 . 4 1 1 A 129 129 GLN HA H 152 4.270 4.525 -0.255 1 1 1595 . 4 1 1 A 129 129 GLN C C 152 176.500 175.606 0.894 1 1 1596 . 4 1 1 A 129 129 GLN CA C 152 56.400 56.336 0.064 1 1 1597 . 4 1 1 A 129 129 GLN CB C 152 29.500 29.883 -0.383 1 1 1600 . 4 1 1 A 129 129 GLN N N 152 122.900 121.447 1.453 1 1 1602 . 4 1 1 A 130 130 GLY H H 153 8.640 8.484 0.156 1 1 1603 . 4 1 1 A 130 130 GLY HA2 H 153 3.990 4.394 -0.404 1 1 1604 . 4 1 1 A 130 130 GLY HA3 H 153 3.910 4.417 -0.507 1 1 1605 . 4 1 1 A 130 130 GLY C C 153 174.100 173.401 0.699 1 1 1606 . 4 1 1 A 130 130 GLY CA C 153 45.400 44.893 0.507 1 1 1607 . 4 1 1 A 130 130 GLY N N 153 111.100 107.842 3.258 1 1 1608 . 4 1 1 A 131 131 GLU H H 154 8.220 8.659 -0.439 1 1 1609 . 4 1 1 A 131 131 GLU HA H 154 4.260 4.630 -0.370 1 1 1614 . 4 1 1 A 131 131 GLU C C 154 176.100 175.451 0.649 1 1 1615 . 4 1 1 A 131 131 GLU CA C 154 56.600 57.655 -1.055 1 1 1616 . 4 1 1 A 131 131 GLU CB C 154 30.600 33.085 -2.485 1 1 1618 . 4 1 1 A 131 131 GLU N N 154 120.500 126.220 -5.720 1 1 1619 . 4 1 1 A 132 132 ASP H H 155 8.530 7.651 0.879 1 1 1620 . 4 1 1 A 132 132 ASP HA H 155 4.560 4.691 -0.131 1 1 1623 . 4 1 1 A 132 132 ASP C C 155 176.300 176.133 0.167 1 1 1624 . 4 1 1 A 132 132 ASP CA C 155 54.300 54.344 -0.044 1 1 1625 . 4 1 1 A 132 132 ASP CB C 155 41.000 41.125 -0.125 1 1 1626 . 4 1 1 A 132 132 ASP N N 155 121.300 117.538 3.762 1 1 1627 . 4 1 1 A 133 133 LEU H H 156 8.230 8.408 -0.178 1 1 1628 . 4 1 1 A 133 133 LEU HA H 156 4.200 4.225 -0.025 1 1 1638 . 4 1 1 A 133 133 LEU C C 156 177.700 176.873 0.827 1 1 1639 . 4 1 1 A 133 133 LEU CA C 156 55.500 55.220 0.280 1 1 1640 . 4 1 1 A 133 133 LEU CB C 156 42.100 42.446 -0.346 1 1 1644 . 4 1 1 A 133 133 LEU N N 156 122.500 123.707 -1.207 1 1 1645 . 4 1 1 A 134 134 GLU H H 157 8.270 8.545 -0.275 1 1 1646 . 4 1 1 A 134 134 GLU HA H 157 4.100 4.607 -0.507 1 1 1651 . 4 1 1 A 134 134 GLU C C 157 177.300 176.626 0.674 1 1 1652 . 4 1 1 A 134 134 GLU CA C 157 56.900 56.393 0.507 1 1 1653 . 4 1 1 A 134 134 GLU CB C 157 30.000 30.759 -0.759 1 1 1655 . 4 1 1 A 134 134 GLU N N 157 119.800 123.770 -3.970 1 1 1656 . 4 1 1 A 135 135 HIS H H 158 8.150 8.994 -0.844 1 1 1657 . 4 1 1 A 135 135 HIS HA H 158 4.530 4.814 -0.284 1 1 1662 . 4 1 1 A 135 135 HIS CA C 158 56.100 57.451 -1.351 1 1 1663 . 4 1 1 A 135 135 HIS CB C 158 30.000 30.912 -0.912 1 1 1664 . 4 1 1 A 135 135 HIS N N 158 118.500 126.330 -7.830 1 1 1665 . 4 1 1 A 139 139 HIS HA H 162 4.590 4.875 -0.285 1 1 1668 . 4 1 1 A 139 139 HIS C C 162 173.900 174.560 -0.660 1 1 1669 . 4 1 1 A 139 139 HIS CA C 162 55.900 55.622 0.278 1 1 1670 . 4 1 1 A 139 139 HIS CB C 162 30.100 33.370 -3.270 1 1 15 . 5 1 1 A 2 2 PHE H H 25 8.640 7.325 1.315 1 1 16 . 5 1 1 A 2 2 PHE HA H 25 4.630 4.477 0.153 1 1 24 . 5 1 1 A 2 2 PHE C C 25 175.000 175.039 -0.039 1 1 25 . 5 1 1 A 2 2 PHE CA C 25 58.000 58.213 -0.213 1 1 26 . 5 1 1 A 2 2 PHE CB C 25 39.700 39.371 0.329 1 1 31 . 5 1 1 A 3 3 ARG H H 26 8.210 7.193 1.017 1 1 32 . 5 1 1 A 3 3 ARG HA H 26 4.200 3.752 0.448 1 1 40 . 5 1 1 A 3 3 ARG C C 26 175.100 175.698 -0.598 1 1 41 . 5 1 1 A 3 3 ARG CA C 26 55.600 56.571 -0.971 1 1 42 . 5 1 1 A 3 3 ARG CB C 26 31.300 29.116 2.184 1 1 45 . 5 1 1 A 3 3 ARG N N 26 125.000 115.401 9.599 1 1 47 . 5 1 1 A 4 4 ALA H H 27 8.260 7.959 0.301 1 1 48 . 5 1 1 A 4 4 ALA HA H 27 4.090 4.721 -0.631 1 1 52 . 5 1 1 A 4 4 ALA C C 27 177.300 178.104 -0.804 1 1 53 . 5 1 1 A 4 4 ALA CA C 27 52.800 51.008 1.792 1 1 54 . 5 1 1 A 4 4 ALA CB C 27 19.200 19.552 -0.352 1 1 55 . 5 1 1 A 4 4 ALA N N 27 125.400 125.761 -0.361 1 1 56 . 5 1 1 A 5 5 ASP H H 28 8.260 8.911 -0.651 1 1 57 . 5 1 1 A 5 5 ASP HA H 28 4.470 4.688 -0.218 1 1 60 . 5 1 1 A 5 5 ASP C C 28 176.200 176.513 -0.313 1 1 61 . 5 1 1 A 5 5 ASP CA C 28 54.500 55.435 -0.935 1 1 62 . 5 1 1 A 5 5 ASP CB C 28 40.700 40.991 -0.291 1 1 63 . 5 1 1 A 5 5 ASP N N 28 118.200 117.304 0.896 1 1 64 . 5 1 1 A 6 6 PHE H H 29 7.930 7.446 0.484 1 1 65 . 5 1 1 A 6 6 PHE HA H 29 4.510 4.689 -0.179 1 1 73 . 5 1 1 A 6 6 PHE C C 29 175.700 174.211 1.489 1 1 74 . 5 1 1 A 6 6 PHE CA C 29 58.000 55.997 2.003 1 1 75 . 5 1 1 A 6 6 PHE CB C 29 39.300 39.587 -0.287 1 1 81 . 5 1 1 A 6 6 PHE N N 29 119.400 115.868 3.532 1 1 82 . 5 1 1 A 7 7 LEU H H 30 8.000 9.057 -1.057 1 1 83 . 5 1 1 A 7 7 LEU HA H 30 4.210 4.206 0.004 1 1 93 . 5 1 1 A 7 7 LEU C C 30 177.400 176.348 1.052 1 1 94 . 5 1 1 A 7 7 LEU CA C 30 55.400 55.937 -0.537 1 1 95 . 5 1 1 A 7 7 LEU CB C 30 42.200 40.511 1.689 1 1 99 . 5 1 1 A 7 7 LEU N N 30 122.100 119.142 2.958 1 1 100 . 5 1 1 A 8 8 SER H H 31 8.130 8.932 -0.802 1 1 101 . 5 1 1 A 8 8 SER HA H 31 4.330 4.330 0.000 1 1 104 . 5 1 1 A 8 8 SER C C 31 174.900 174.090 0.810 1 1 105 . 5 1 1 A 8 8 SER CA C 31 58.800 60.144 -1.344 1 1 106 . 5 1 1 A 8 8 SER CB C 31 63.800 63.092 0.708 1 1 107 . 5 1 1 A 8 8 SER N N 31 116.000 119.435 -3.435 1 1 108 . 5 1 1 A 9 9 GLU H H 32 8.380 8.219 0.161 1 1 109 . 5 1 1 A 9 9 GLU HA H 32 4.240 4.039 0.201 1 1 114 . 5 1 1 A 9 9 GLU C C 32 176.600 175.399 1.201 1 1 115 . 5 1 1 A 9 9 GLU CA C 32 57.000 57.163 -0.163 1 1 116 . 5 1 1 A 9 9 GLU CB C 32 30.000 28.621 1.379 1 1 118 . 5 1 1 A 9 9 GLU N N 32 122.200 120.971 1.229 1 1 119 . 5 1 1 A 10 10 LEU H H 33 7.990 8.368 -0.378 1 1 120 . 5 1 1 A 10 10 LEU HA H 33 4.220 4.125 0.095 1 1 130 . 5 1 1 A 10 10 LEU C C 33 177.100 175.109 1.991 1 1 131 . 5 1 1 A 10 10 LEU CA C 33 55.500 57.100 -1.600 1 1 132 . 5 1 1 A 10 10 LEU CB C 33 42.200 40.883 1.317 1 1 136 . 5 1 1 A 10 10 LEU N N 33 121.200 116.577 4.623 1 1 137 . 5 1 1 A 11 11 ASP H H 34 8.090 8.589 -0.499 1 1 138 . 5 1 1 A 11 11 ASP HA H 34 4.550 4.874 -0.324 1 1 141 . 5 1 1 A 11 11 ASP C C 34 175.400 176.126 -0.726 1 1 142 . 5 1 1 A 11 11 ASP CA C 34 54.200 54.176 0.024 1 1 143 . 5 1 1 A 11 11 ASP CB C 34 41.300 41.074 0.226 1 1 144 . 5 1 1 A 11 11 ASP N N 34 120.000 122.306 -2.306 1 1 145 . 5 1 1 A 12 12 ALA H H 35 7.950 8.487 -0.537 1 1 146 . 5 1 1 A 12 12 ALA HA H 35 4.510 4.569 -0.059 1 1 150 . 5 1 1 A 12 12 ALA CA C 35 50.800 50.970 -0.170 1 1 151 . 5 1 1 A 12 12 ALA CB C 35 18.300 19.558 -1.258 1 1 152 . 5 1 1 A 12 12 ALA N N 35 124.600 127.771 -3.171 1 1 153 . 5 1 1 A 13 13 PRO HA H 36 4.360 4.582 -0.222 1 1 160 . 5 1 1 A 13 13 PRO C C 36 176.900 176.615 0.285 1 1 161 . 5 1 1 A 13 13 PRO CA C 36 63.200 62.884 0.316 1 1 162 . 5 1 1 A 13 13 PRO CB C 36 32.000 32.399 -0.399 1 1 165 . 5 1 1 A 14 14 ALA H H 37 8.390 8.694 -0.304 1 1 166 . 5 1 1 A 14 14 ALA HA H 37 4.230 4.294 -0.064 1 1 170 . 5 1 1 A 14 14 ALA C C 37 177.900 177.825 0.075 1 1 171 . 5 1 1 A 14 14 ALA CA C 37 52.600 52.772 -0.172 1 1 172 . 5 1 1 A 14 14 ALA CB C 37 19.300 19.770 -0.470 1 1 173 . 5 1 1 A 14 14 ALA N N 37 123.900 126.415 -2.515 1 1 174 . 5 1 1 A 15 15 GLN H H 38 8.330 8.007 0.323 1 1 175 . 5 1 1 A 15 15 GLN HA H 38 4.280 4.190 0.090 1 1 182 . 5 1 1 A 15 15 GLN C C 38 175.800 176.712 -0.912 1 1 183 . 5 1 1 A 15 15 GLN CA C 38 55.700 58.670 -2.970 1 1 184 . 5 1 1 A 15 15 GLN CB C 38 29.600 28.234 1.366 1 1 187 . 5 1 1 A 15 15 GLN N N 38 119.300 117.058 2.242 1 1 189 . 5 1 1 A 16 16 ALA H H 39 8.410 8.132 0.278 1 1 190 . 5 1 1 A 16 16 ALA HA H 39 4.070 4.273 -0.203 1 1 194 . 5 1 1 A 16 16 ALA C C 39 178.200 177.989 0.211 1 1 195 . 5 1 1 A 16 16 ALA CA C 39 52.800 52.558 0.242 1 1 196 . 5 1 1 A 16 16 ALA CB C 39 19.300 19.665 -0.365 1 1 197 . 5 1 1 A 16 16 ALA N N 39 125.600 120.875 4.725 1 1 198 . 5 1 1 A 17 17 GLY H H 40 8.510 7.706 0.804 1 1 199 . 5 1 1 A 17 17 GLY HA2 H 40 4.010 3.949 0.061 1 1 200 . 5 1 1 A 17 17 GLY HA3 H 40 4.010 3.952 0.058 1 1 201 . 5 1 1 A 17 17 GLY C C 40 174.600 175.000 -0.400 1 1 202 . 5 1 1 A 17 17 GLY CA C 40 45.400 45.979 -0.579 1 1 203 . 5 1 1 A 17 17 GLY N N 40 108.500 106.009 2.491 1 1 204 . 5 1 1 A 18 18 THR H H 41 8.020 8.069 -0.049 1 1 205 . 5 1 1 A 18 18 THR HA H 41 4.320 3.933 0.387 1 1 210 . 5 1 1 A 18 18 THR C C 41 174.900 175.254 -0.354 1 1 211 . 5 1 1 A 18 18 THR CA C 41 62.100 66.496 -4.396 1 1 212 . 5 1 1 A 18 18 THR CB C 41 69.900 68.727 1.173 1 1 214 . 5 1 1 A 18 18 THR N N 41 112.900 112.736 0.164 1 1 215 . 5 1 1 A 19 19 GLU H H 42 8.630 7.757 0.873 1 1 216 . 5 1 1 A 19 19 GLU HA H 42 4.300 3.919 0.381 1 1 221 . 5 1 1 A 19 19 GLU C C 42 176.600 177.350 -0.750 1 1 222 . 5 1 1 A 19 19 GLU CA C 42 56.900 58.056 -1.156 1 1 223 . 5 1 1 A 19 19 GLU CB C 42 30.000 29.613 0.387 1 1 225 . 5 1 1 A 19 19 GLU N N 42 123.000 121.607 1.393 1 1 226 . 5 1 1 A 20 20 SER H H 43 8.330 8.859 -0.529 1 1 227 . 5 1 1 A 20 20 SER HA H 43 4.400 3.928 0.472 1 1 230 . 5 1 1 A 20 20 SER C C 43 174.300 174.250 0.050 1 1 231 . 5 1 1 A 20 20 SER CA C 43 58.500 58.841 -0.341 1 1 232 . 5 1 1 A 20 20 SER CB C 43 63.900 60.740 3.160 1 1 233 . 5 1 1 A 20 20 SER N N 43 116.600 120.588 -3.988 1 1 234 . 5 1 1 A 21 21 ALA H H 44 8.320 8.127 0.193 1 1 235 . 5 1 1 A 21 21 ALA HA H 44 4.300 4.386 -0.086 1 1 239 . 5 1 1 A 21 21 ALA C C 44 177.700 176.794 0.906 1 1 240 . 5 1 1 A 21 21 ALA CA C 44 52.700 53.575 -0.875 1 1 241 . 5 1 1 A 21 21 ALA CB C 44 19.300 19.841 -0.541 1 1 242 . 5 1 1 A 21 21 ALA N N 44 126.000 122.031 3.969 1 1 243 . 5 1 1 A 22 22 VAL H H 45 8.040 7.697 0.343 1 1 244 . 5 1 1 A 22 22 VAL HA H 45 4.100 3.988 0.112 1 1 252 . 5 1 1 A 22 22 VAL C C 45 176.100 176.067 0.033 1 1 253 . 5 1 1 A 22 22 VAL CA C 45 62.300 62.294 0.006 1 1 254 . 5 1 1 A 22 22 VAL CB C 45 32.700 32.600 0.100 1 1 257 . 5 1 1 A 22 22 VAL N N 45 118.100 118.069 0.031 1 1 258 . 5 1 1 A 23 23 SER H H 46 8.370 8.781 -0.411 1 1 259 . 5 1 1 A 23 23 SER HA H 46 4.410 4.701 -0.291 1 1 262 . 5 1 1 A 23 23 SER C C 46 174.900 175.002 -0.102 1 1 263 . 5 1 1 A 23 23 SER CA C 46 58.500 57.327 1.173 1 1 264 . 5 1 1 A 23 23 SER CB C 46 63.900 64.676 -0.776 1 1 265 . 5 1 1 A 23 23 SER N N 46 119.100 121.464 -2.364 1 1 266 . 5 1 1 A 24 24 GLY H H 47 8.370 8.455 -0.085 1 1 267 . 5 1 1 A 24 24 GLY HA2 H 47 3.950 4.074 -0.124 1 1 268 . 5 1 1 A 24 24 GLY HA3 H 47 3.950 4.095 -0.145 1 1 269 . 5 1 1 A 24 24 GLY C C 47 174.200 173.031 1.169 1 1 270 . 5 1 1 A 24 24 GLY CA C 47 45.400 44.230 1.170 1 1 271 . 5 1 1 A 24 24 GLY N N 47 110.500 107.596 2.904 1 1 272 . 5 1 1 A 25 25 VAL H H 48 7.980 8.543 -0.563 1 1 273 . 5 1 1 A 25 25 VAL HA H 48 4.040 4.111 -0.071 1 1 281 . 5 1 1 A 25 25 VAL C C 48 176.100 176.227 -0.127 1 1 282 . 5 1 1 A 25 25 VAL CA C 48 62.200 62.099 0.101 1 1 283 . 5 1 1 A 25 25 VAL CB C 48 32.500 31.714 0.786 1 1 286 . 5 1 1 A 25 25 VAL N N 48 118.100 120.093 -1.993 1 1 287 . 5 1 1 A 26 26 GLU H H 49 8.580 9.091 -0.511 1 1 288 . 5 1 1 A 26 26 GLU HA H 49 4.160 4.173 -0.013 1 1 293 . 5 1 1 A 26 26 GLU C C 49 176.900 176.988 -0.088 1 1 294 . 5 1 1 A 26 26 GLU CA C 49 57.400 59.215 -1.815 1 1 295 . 5 1 1 A 26 26 GLU CB C 49 29.800 29.296 0.504 1 1 297 . 5 1 1 A 26 26 GLU N N 49 123.900 127.534 -3.634 1 1 298 . 5 1 1 A 27 27 GLY H H 50 8.330 8.327 0.003 1 1 299 . 5 1 1 A 27 27 GLY HA2 H 50 3.890 3.747 0.143 1 1 300 . 5 1 1 A 27 27 GLY HA3 H 50 3.830 3.749 0.081 1 1 301 . 5 1 1 A 27 27 GLY C C 50 173.800 174.837 -1.037 1 1 302 . 5 1 1 A 27 27 GLY CA C 50 45.200 46.508 -1.308 1 1 303 . 5 1 1 A 27 27 GLY N N 50 109.500 107.899 1.601 1 1 304 . 5 1 1 A 28 28 LEU H H 51 7.770 8.110 -0.340 1 1 305 . 5 1 1 A 28 28 LEU HA H 51 4.470 3.953 0.517 1 1 315 . 5 1 1 A 28 28 LEU CA C 51 52.800 55.702 -2.902 1 1 316 . 5 1 1 A 28 28 LEU CB C 51 42.200 40.644 1.556 1 1 320 . 5 1 1 A 28 28 LEU N N 51 123.000 120.529 2.471 1 1 321 . 5 1 1 A 29 29 PRO HA H 52 4.660 4.676 -0.016 1 1 328 . 5 1 1 A 29 29 PRO CA C 52 61.600 61.578 0.022 1 1 329 . 5 1 1 A 29 29 PRO CB C 52 30.800 32.284 -1.484 1 1 332 . 5 1 1 A 30 30 PRO HA H 53 4.340 4.274 0.066 1 1 339 . 5 1 1 A 30 30 PRO C C 53 177.500 177.307 0.193 1 1 340 . 5 1 1 A 30 30 PRO CA C 53 63.500 63.736 -0.236 1 1 341 . 5 1 1 A 30 30 PRO CB C 53 32.000 31.727 0.273 1 1 344 . 5 1 1 A 31 31 GLY H H 54 8.690 8.928 -0.238 1 1 345 . 5 1 1 A 31 31 GLY HA2 H 54 4.060 3.924 0.136 1 1 346 . 5 1 1 A 31 31 GLY HA3 H 54 3.660 3.925 -0.265 1 1 347 . 5 1 1 A 31 31 GLY C C 54 172.900 173.550 -0.650 1 1 348 . 5 1 1 A 31 31 GLY CA C 54 45.400 45.289 0.111 1 1 349 . 5 1 1 A 31 31 GLY N N 54 110.100 111.916 -1.816 1 1 350 . 5 1 1 A 32 32 LEU H H 55 7.510 7.519 -0.009 1 1 351 . 5 1 1 A 32 32 LEU HA H 55 4.960 5.043 -0.083 1 1 361 . 5 1 1 A 32 32 LEU C C 55 175.400 175.893 -0.493 1 1 362 . 5 1 1 A 32 32 LEU CA C 55 54.100 53.303 0.797 1 1 363 . 5 1 1 A 32 32 LEU CB C 55 44.400 44.622 -0.222 1 1 367 . 5 1 1 A 32 32 LEU N N 55 119.300 122.646 -3.346 1 1 368 . 5 1 1 A 33 33 ALA H H 56 7.840 8.843 -1.003 1 1 369 . 5 1 1 A 33 33 ALA HA H 56 4.500 4.955 -0.455 1 1 373 . 5 1 1 A 33 33 ALA C C 56 178.200 175.157 3.043 1 1 374 . 5 1 1 A 33 33 ALA CA C 56 51.100 50.571 0.529 1 1 375 . 5 1 1 A 33 33 ALA CB C 56 23.900 23.474 0.426 1 1 376 . 5 1 1 A 33 33 ALA N N 56 121.800 123.679 -1.879 1 1 377 . 5 1 1 A 34 34 LEU H H 57 8.640 8.175 0.465 1 1 378 . 5 1 1 A 34 34 LEU HA H 57 4.930 5.119 -0.189 1 1 388 . 5 1 1 A 34 34 LEU C C 57 174.400 175.716 -1.316 1 1 389 . 5 1 1 A 34 34 LEU CA C 57 53.400 53.641 -0.241 1 1 390 . 5 1 1 A 34 34 LEU CB C 57 47.300 45.546 1.754 1 1 394 . 5 1 1 A 34 34 LEU N N 57 119.200 119.931 -0.731 1 1 395 . 5 1 1 A 35 35 LEU H H 58 8.640 8.384 0.256 1 1 396 . 5 1 1 A 35 35 LEU HA H 58 5.440 5.171 0.269 1 1 406 . 5 1 1 A 35 35 LEU C C 58 176.200 175.362 0.838 1 1 407 . 5 1 1 A 35 35 LEU CA C 58 52.600 53.377 -0.777 1 1 408 . 5 1 1 A 35 35 LEU CB C 58 46.000 44.237 1.763 1 1 412 . 5 1 1 A 35 35 LEU N N 58 119.400 121.910 -2.510 1 1 413 . 5 1 1 A 36 36 VAL H H 59 8.960 8.855 0.105 1 1 414 . 5 1 1 A 36 36 VAL HA H 59 4.860 4.556 0.304 1 1 422 . 5 1 1 A 36 36 VAL C C 59 176.400 175.426 0.974 1 1 423 . 5 1 1 A 36 36 VAL CA C 59 59.900 60.477 -0.577 1 1 424 . 5 1 1 A 36 36 VAL CB C 59 34.600 34.334 0.266 1 1 427 . 5 1 1 A 36 36 VAL N N 59 120.700 125.002 -4.302 1 1 428 . 5 1 1 A 37 37 VAL H H 60 8.830 8.624 0.206 1 1 429 . 5 1 1 A 37 37 VAL HA H 60 4.170 4.036 0.134 1 1 437 . 5 1 1 A 37 37 VAL C C 60 176.000 176.177 -0.177 1 1 438 . 5 1 1 A 37 37 VAL CA C 60 63.900 63.198 0.702 1 1 439 . 5 1 1 A 37 37 VAL CB C 60 31.400 31.125 0.275 1 1 442 . 5 1 1 A 37 37 VAL N N 60 125.700 127.002 -1.302 1 1 443 . 5 1 1 A 38 38 LYS H H 61 9.400 8.570 0.830 1 1 444 . 5 1 1 A 38 38 LYS HA H 61 4.450 4.134 0.316 1 1 453 . 5 1 1 A 38 38 LYS C C 61 176.000 175.886 0.114 1 1 454 . 5 1 1 A 38 38 LYS CA C 61 56.900 58.218 -1.318 1 1 455 . 5 1 1 A 38 38 LYS CB C 61 34.200 33.216 0.984 1 1 459 . 5 1 1 A 38 38 LYS N N 61 131.900 129.892 2.008 1 1 460 . 5 1 1 A 39 39 ARG H H 62 7.990 7.248 0.742 1 1 461 . 5 1 1 A 39 39 ARG HA H 62 4.700 4.758 -0.058 1 1 469 . 5 1 1 A 39 39 ARG C C 62 173.600 175.298 -1.698 1 1 470 . 5 1 1 A 39 39 ARG CA C 62 55.100 54.670 0.430 1 1 471 . 5 1 1 A 39 39 ARG CB C 62 34.100 34.869 -0.769 1 1 474 . 5 1 1 A 39 39 ARG N N 62 117.300 117.472 -0.172 1 1 476 . 5 1 1 A 40 40 GLY H H 63 8.480 8.457 0.023 1 1 477 . 5 1 1 A 40 40 GLY HA2 H 63 4.290 4.428 -0.138 1 1 478 . 5 1 1 A 40 40 GLY HA3 H 63 3.580 4.473 -0.893 1 1 479 . 5 1 1 A 40 40 GLY CA C 63 43.800 45.122 -1.322 1 1 480 . 5 1 1 A 40 40 GLY N N 63 110.800 109.199 1.601 1 1 481 . 5 1 1 A 41 41 PRO HA H 64 4.300 4.431 -0.131 1 1 488 . 5 1 1 A 41 41 PRO C C 64 175.900 177.367 -1.467 1 1 489 . 5 1 1 A 41 41 PRO CA C 64 64.400 64.782 -0.382 1 1 490 . 5 1 1 A 41 41 PRO CB C 64 31.500 32.004 -0.504 1 1 493 . 5 1 1 A 42 42 ASN H H 65 8.310 7.924 0.386 1 1 494 . 5 1 1 A 42 42 ASN HA H 65 4.770 4.739 0.031 1 1 499 . 5 1 1 A 42 42 ASN C C 65 177.500 174.963 2.537 1 1 500 . 5 1 1 A 42 42 ASN CA C 65 52.100 54.615 -2.515 1 1 501 . 5 1 1 A 42 42 ASN CB C 65 36.700 39.604 -2.904 1 1 503 . 5 1 1 A 42 42 ASN N N 65 114.500 114.382 0.118 1 1 505 . 5 1 1 A 43 43 ALA H H 66 7.470 8.131 -0.661 1 1 506 . 5 1 1 A 43 43 ALA HA H 66 3.690 3.980 -0.290 1 1 510 . 5 1 1 A 43 43 ALA C C 66 177.800 176.892 0.908 1 1 511 . 5 1 1 A 43 43 ALA CA C 66 54.200 53.133 1.067 1 1 512 . 5 1 1 A 43 43 ALA CB C 66 17.700 17.757 -0.057 1 1 513 . 5 1 1 A 43 43 ALA N N 66 122.100 120.590 1.510 1 1 514 . 5 1 1 A 44 44 GLY H H 67 9.120 8.513 0.607 1 1 515 . 5 1 1 A 44 44 GLY HA2 H 67 4.440 4.010 0.430 1 1 516 . 5 1 1 A 44 44 GLY HA3 H 67 3.490 4.012 -0.522 1 1 517 . 5 1 1 A 44 44 GLY C C 67 174.900 174.918 -0.018 1 1 518 . 5 1 1 A 44 44 GLY CA C 67 44.600 45.252 -0.652 1 1 519 . 5 1 1 A 44 44 GLY N N 67 111.800 110.488 1.312 1 1 520 . 5 1 1 A 45 45 SER H H 68 8.090 7.989 0.101 1 1 521 . 5 1 1 A 45 45 SER HA H 68 4.280 4.319 -0.039 1 1 524 . 5 1 1 A 45 45 SER C C 68 171.500 173.740 -2.240 1 1 525 . 5 1 1 A 45 45 SER CA C 68 60.500 59.152 1.348 1 1 526 . 5 1 1 A 45 45 SER CB C 68 63.800 63.644 0.156 1 1 527 . 5 1 1 A 45 45 SER N N 68 117.400 117.869 -0.469 1 1 528 . 5 1 1 A 46 46 ARG H H 69 8.120 8.675 -0.555 1 1 529 . 5 1 1 A 46 46 ARG HA H 69 5.140 4.983 0.157 1 1 537 . 5 1 1 A 46 46 ARG C C 69 174.600 173.750 0.850 1 1 538 . 5 1 1 A 46 46 ARG CA C 69 54.200 53.669 0.531 1 1 539 . 5 1 1 A 46 46 ARG CB C 69 33.900 34.050 -0.150 1 1 542 . 5 1 1 A 46 46 ARG N N 69 119.800 120.940 -1.140 1 1 544 . 5 1 1 A 47 47 PHE H H 70 9.180 8.262 0.918 1 1 545 . 5 1 1 A 47 47 PHE HA H 70 4.720 4.967 -0.247 1 1 553 . 5 1 1 A 47 47 PHE C C 70 173.900 174.258 -0.358 1 1 554 . 5 1 1 A 47 47 PHE CA C 70 56.400 56.708 -0.308 1 1 555 . 5 1 1 A 47 47 PHE CB C 70 41.500 43.030 -1.530 1 1 561 . 5 1 1 A 47 47 PHE N N 70 120.800 117.705 3.095 1 1 562 . 5 1 1 A 48 48 LEU H H 71 8.720 9.000 -0.280 1 1 563 . 5 1 1 A 48 48 LEU HA H 71 4.450 5.008 -0.558 1 1 573 . 5 1 1 A 48 48 LEU C C 71 176.300 174.783 1.517 1 1 574 . 5 1 1 A 48 48 LEU CA C 71 54.900 53.914 0.986 1 1 575 . 5 1 1 A 48 48 LEU CB C 71 43.200 44.515 -1.315 1 1 579 . 5 1 1 A 48 48 LEU N N 71 125.300 124.263 1.037 1 1 580 . 5 1 1 A 49 49 LEU H H 72 8.730 8.834 -0.104 1 1 581 . 5 1 1 A 49 49 LEU HA H 72 4.770 4.907 -0.137 1 1 591 . 5 1 1 A 49 49 LEU C C 72 174.800 175.891 -1.091 1 1 592 . 5 1 1 A 49 49 LEU CA C 72 53.200 53.569 -0.369 1 1 593 . 5 1 1 A 49 49 LEU CB C 72 40.900 42.566 -1.666 1 1 597 . 5 1 1 A 49 49 LEU N N 72 126.900 128.108 -1.208 1 1 598 . 5 1 1 A 50 50 ASP H H 73 8.350 8.898 -0.548 1 1 599 . 5 1 1 A 50 50 ASP HA H 73 4.790 5.097 -0.307 1 1 602 . 5 1 1 A 50 50 ASP C C 73 175.600 175.395 0.205 1 1 603 . 5 1 1 A 50 50 ASP CA C 73 53.000 53.213 -0.213 1 1 604 . 5 1 1 A 50 50 ASP CB C 73 41.400 40.691 0.709 1 1 605 . 5 1 1 A 50 50 ASP N N 73 120.400 119.996 0.404 1 1 606 . 5 1 1 A 51 51 GLN H H 74 7.670 7.915 -0.245 1 1 607 . 5 1 1 A 51 51 GLN HA H 74 4.660 4.665 -0.005 1 1 614 . 5 1 1 A 51 51 GLN C C 74 175.400 175.068 0.332 1 1 615 . 5 1 1 A 51 51 GLN CA C 74 53.700 54.748 -1.048 1 1 616 . 5 1 1 A 51 51 GLN CB C 74 31.300 30.466 0.834 1 1 619 . 5 1 1 A 51 51 GLN N N 74 116.200 116.128 0.072 1 1 621 . 5 1 1 A 52 52 ALA H H 75 8.720 8.891 -0.171 1 1 622 . 5 1 1 A 52 52 ALA HA H 75 4.170 4.377 -0.207 1 1 626 . 5 1 1 A 52 52 ALA C C 75 178.300 176.593 1.707 1 1 627 . 5 1 1 A 52 52 ALA CA C 75 55.700 54.348 1.352 1 1 628 . 5 1 1 A 52 52 ALA CB C 75 18.500 18.783 -0.283 1 1 629 . 5 1 1 A 52 52 ALA N N 75 123.200 122.168 1.032 1 1 630 . 5 1 1 A 53 53 ILE H H 76 8.030 7.972 0.058 1 1 631 . 5 1 1 A 53 53 ILE HA H 76 4.650 4.645 0.005 1 1 641 . 5 1 1 A 53 53 ILE C C 76 175.100 174.724 0.376 1 1 642 . 5 1 1 A 53 53 ILE CA C 76 61.100 60.534 0.566 1 1 643 . 5 1 1 A 53 53 ILE CB C 76 40.500 39.182 1.318 1 1 647 . 5 1 1 A 53 53 ILE N N 76 115.400 117.202 -1.802 1 1 648 . 5 1 1 A 54 54 THR H H 77 8.840 8.920 -0.080 1 1 649 . 5 1 1 A 54 54 THR HA H 77 4.940 4.963 -0.023 1 1 654 . 5 1 1 A 54 54 THR C C 77 174.600 174.598 0.002 1 1 655 . 5 1 1 A 54 54 THR CA C 77 61.400 61.767 -0.367 1 1 656 . 5 1 1 A 54 54 THR CB C 77 70.300 71.163 -0.863 1 1 658 . 5 1 1 A 54 54 THR N N 77 125.300 124.706 0.594 1 1 659 . 5 1 1 A 55 55 SER H H 78 10.690 9.070 1.620 1 1 660 . 5 1 1 A 55 55 SER HA H 78 4.720 4.790 -0.070 1 1 663 . 5 1 1 A 55 55 SER C C 78 172.600 174.429 -1.829 1 1 664 . 5 1 1 A 55 55 SER CA C 78 57.800 57.751 0.049 1 1 665 . 5 1 1 A 55 55 SER CB C 78 65.200 65.031 0.169 1 1 666 . 5 1 1 A 55 55 SER N N 78 126.300 120.914 5.386 1 1 667 . 5 1 1 A 56 56 ALA H H 79 8.840 7.825 1.015 1 1 668 . 5 1 1 A 56 56 ALA HA H 79 5.720 4.610 1.110 1 1 672 . 5 1 1 A 56 56 ALA C C 79 175.800 178.089 -2.289 1 1 673 . 5 1 1 A 56 56 ALA CA C 79 49.800 50.882 -1.082 1 1 674 . 5 1 1 A 56 56 ALA CB C 79 21.900 21.197 0.703 1 1 675 . 5 1 1 A 56 56 ALA N N 79 123.200 123.885 -0.685 1 1 676 . 5 1 1 A 57 57 GLY H H 80 8.410 8.763 -0.353 1 1 677 . 5 1 1 A 57 57 GLY HA2 H 80 4.400 3.913 0.487 1 1 678 . 5 1 1 A 57 57 GLY HA3 H 80 3.970 4.035 -0.065 1 1 679 . 5 1 1 A 57 57 GLY C C 80 174.800 173.517 1.283 1 1 680 . 5 1 1 A 57 57 GLY CA C 80 46.300 47.249 -0.949 1 1 681 . 5 1 1 A 57 57 GLY N N 80 108.700 107.970 0.730 1 1 682 . 5 1 1 A 58 58 ARG H H 81 8.330 8.020 0.310 1 1 683 . 5 1 1 A 58 58 ARG HA H 81 4.440 4.872 -0.432 1 1 690 . 5 1 1 A 58 58 ARG C C 81 176.400 175.766 0.634 1 1 691 . 5 1 1 A 58 58 ARG CA C 81 54.700 55.374 -0.674 1 1 692 . 5 1 1 A 58 58 ARG CB C 81 32.300 32.379 -0.079 1 1 695 . 5 1 1 A 58 58 ARG N N 81 120.400 123.171 -2.771 1 1 696 . 5 1 1 A 59 59 HIS H H 82 9.040 8.738 0.302 1 1 697 . 5 1 1 A 59 59 HIS HA H 82 4.280 4.926 -0.646 1 1 702 . 5 1 1 A 59 59 HIS CA C 82 56.800 54.431 2.369 1 1 703 . 5 1 1 A 59 59 HIS CB C 82 30.900 33.103 -2.203 1 1 705 . 5 1 1 A 59 59 HIS N N 82 124.300 119.675 4.625 1 1 708 . 5 1 1 A 60 60 PRO HA H 83 3.640 4.314 -0.674 1 1 715 . 5 1 1 A 60 60 PRO C C 83 177.000 177.040 -0.040 1 1 716 . 5 1 1 A 60 60 PRO CA C 83 64.800 63.678 1.122 1 1 717 . 5 1 1 A 60 60 PRO CB C 83 31.700 32.020 -0.320 1 1 720 . 5 1 1 A 61 61 ASP H H 84 11.140 9.024 2.116 1 1 721 . 5 1 1 A 61 61 ASP HA H 84 4.700 4.313 0.387 1 1 724 . 5 1 1 A 61 61 ASP C C 84 177.400 175.437 1.963 1 1 725 . 5 1 1 A 61 61 ASP CA C 84 53.900 55.442 -1.542 1 1 726 . 5 1 1 A 61 61 ASP CB C 84 40.500 40.380 0.120 1 1 727 . 5 1 1 A 61 61 ASP N N 84 121.600 121.802 -0.202 1 1 728 . 5 1 1 A 62 62 SER H H 85 8.190 7.745 0.445 1 1 729 . 5 1 1 A 62 62 SER HA H 85 4.030 4.578 -0.548 1 1 733 . 5 1 1 A 62 62 SER C C 85 173.400 174.717 -1.317 1 1 734 . 5 1 1 A 62 62 SER CA C 85 60.400 56.691 3.709 1 1 735 . 5 1 1 A 62 62 SER CB C 85 65.200 64.242 0.958 1 1 736 . 5 1 1 A 62 62 SER N N 85 118.100 113.761 4.339 1 1 737 . 5 1 1 A 63 63 ASP H H 86 8.270 8.895 -0.625 1 1 738 . 5 1 1 A 63 63 ASP HA H 86 4.390 4.521 -0.131 1 1 741 . 5 1 1 A 63 63 ASP C C 86 177.200 176.872 0.328 1 1 742 . 5 1 1 A 63 63 ASP CA C 86 58.300 57.293 1.007 1 1 743 . 5 1 1 A 63 63 ASP CB C 86 42.100 41.059 1.041 1 1 744 . 5 1 1 A 63 63 ASP N N 86 125.600 126.266 -0.666 1 1 745 . 5 1 1 A 64 64 ILE H H 87 8.470 7.311 1.159 1 1 746 . 5 1 1 A 64 64 ILE HA H 87 3.560 3.069 0.491 1 1 756 . 5 1 1 A 64 64 ILE C C 87 172.900 174.791 -1.891 1 1 757 . 5 1 1 A 64 64 ILE CA C 87 60.500 61.370 -0.870 1 1 758 . 5 1 1 A 64 64 ILE CB C 87 37.400 37.775 -0.375 1 1 762 . 5 1 1 A 64 64 ILE N N 87 119.500 119.437 0.063 1 1 763 . 5 1 1 A 65 65 PHE H H 88 8.100 8.688 -0.588 1 1 764 . 5 1 1 A 65 65 PHE HA H 88 5.010 4.923 0.087 1 1 772 . 5 1 1 A 65 65 PHE C C 88 174.000 174.355 -0.355 1 1 773 . 5 1 1 A 65 65 PHE CA C 88 55.600 56.183 -0.583 1 1 774 . 5 1 1 A 65 65 PHE CB C 88 38.800 39.697 -0.897 1 1 779 . 5 1 1 A 65 65 PHE N N 88 127.100 127.016 0.084 1 1 780 . 5 1 1 A 66 66 LEU H H 89 7.710 8.730 -1.020 1 1 781 . 5 1 1 A 66 66 LEU HA H 89 3.620 4.842 -1.222 1 1 791 . 5 1 1 A 66 66 LEU C C 89 173.500 174.332 -0.832 1 1 792 . 5 1 1 A 66 66 LEU CA C 89 52.100 53.550 -1.450 1 1 793 . 5 1 1 A 66 66 LEU CB C 89 41.300 42.351 -1.051 1 1 797 . 5 1 1 A 66 66 LEU N N 89 131.900 125.788 6.112 1 1 798 . 5 1 1 A 67 67 ASP H H 90 7.980 9.025 -1.045 1 1 799 . 5 1 1 A 67 67 ASP HA H 90 4.260 4.832 -0.572 1 1 802 . 5 1 1 A 67 67 ASP C C 90 174.800 174.365 0.435 1 1 803 . 5 1 1 A 67 67 ASP CA C 90 53.100 53.455 -0.355 1 1 804 . 5 1 1 A 67 67 ASP CB C 90 39.900 40.442 -0.542 1 1 805 . 5 1 1 A 67 67 ASP N N 90 120.000 125.955 -5.955 1 1 806 . 5 1 1 A 68 68 ASP H H 91 7.480 7.745 -0.265 1 1 807 . 5 1 1 A 68 68 ASP HA H 91 4.850 5.132 -0.282 1 1 810 . 5 1 1 A 68 68 ASP C C 91 175.600 176.105 -0.505 1 1 811 . 5 1 1 A 68 68 ASP CA C 91 54.900 53.043 1.857 1 1 812 . 5 1 1 A 68 68 ASP CB C 91 48.500 44.519 3.981 1 1 813 . 5 1 1 A 68 68 ASP N N 91 121.400 124.881 -3.481 1 1 814 . 5 1 1 A 69 69 VAL H H 92 8.370 8.768 -0.398 1 1 815 . 5 1 1 A 69 69 VAL HA H 92 4.060 3.904 0.156 1 1 823 . 5 1 1 A 69 69 VAL C C 92 175.900 177.358 -1.458 1 1 824 . 5 1 1 A 69 69 VAL CA C 92 64.800 64.805 -0.005 1 1 825 . 5 1 1 A 69 69 VAL CB C 92 31.700 31.882 -0.182 1 1 828 . 5 1 1 A 69 69 VAL N N 92 121.900 126.111 -4.211 1 1 829 . 5 1 1 A 70 70 THR H H 93 8.360 7.874 0.486 1 1 830 . 5 1 1 A 70 70 THR HA H 93 4.060 4.296 -0.236 1 1 836 . 5 1 1 A 70 70 THR C C 93 175.100 175.546 -0.446 1 1 837 . 5 1 1 A 70 70 THR CA C 93 63.700 64.283 -0.583 1 1 838 . 5 1 1 A 70 70 THR CB C 93 70.300 68.773 1.527 1 1 840 . 5 1 1 A 70 70 THR N N 93 111.100 114.041 -2.941 1 1 841 . 5 1 1 A 71 71 VAL H H 94 8.240 7.605 0.635 1 1 842 . 5 1 1 A 71 71 VAL HA H 94 4.520 4.019 0.501 1 1 850 . 5 1 1 A 71 71 VAL C C 94 176.800 176.182 0.618 1 1 851 . 5 1 1 A 71 71 VAL CA C 94 61.200 62.006 -0.806 1 1 852 . 5 1 1 A 71 71 VAL CB C 94 33.500 32.676 0.824 1 1 855 . 5 1 1 A 71 71 VAL N N 94 125.500 119.939 5.561 1 1 856 . 5 1 1 A 72 72 SER H H 95 11.410 7.687 3.723 1 1 857 . 5 1 1 A 72 72 SER HA H 95 4.670 4.382 0.288 1 1 860 . 5 1 1 A 72 72 SER C C 95 174.500 175.360 -0.860 1 1 861 . 5 1 1 A 72 72 SER CA C 95 60.600 58.317 2.283 1 1 862 . 5 1 1 A 72 72 SER CB C 95 64.200 63.196 1.004 1 1 863 . 5 1 1 A 72 72 SER N N 95 126.800 117.822 8.978 1 1 864 . 5 1 1 A 73 73 ARG H H 96 9.260 8.705 0.555 1 1 865 . 5 1 1 A 73 73 ARG HA H 96 3.770 4.086 -0.316 1 1 873 . 5 1 1 A 73 73 ARG C C 96 176.600 176.687 -0.087 1 1 874 . 5 1 1 A 73 73 ARG CA C 96 61.300 58.908 2.392 1 1 875 . 5 1 1 A 73 73 ARG CB C 96 29.800 30.579 -0.779 1 1 878 . 5 1 1 A 73 73 ARG N N 96 124.600 121.344 3.256 1 1 880 . 5 1 1 A 74 74 ARG H H 97 7.800 7.956 -0.156 1 1 881 . 5 1 1 A 74 74 ARG HA H 97 4.440 4.701 -0.261 1 1 889 . 5 1 1 A 74 74 ARG C C 97 173.100 176.300 -3.200 1 1 890 . 5 1 1 A 74 74 ARG CA C 97 54.800 55.241 -0.441 1 1 891 . 5 1 1 A 74 74 ARG CB C 97 29.300 32.399 -3.099 1 1 894 . 5 1 1 A 74 74 ARG N N 97 114.800 118.583 -3.783 1 1 896 . 5 1 1 A 75 75 HIS H H 98 7.840 8.541 -0.701 1 1 897 . 5 1 1 A 75 75 HIS HA H 98 4.430 5.081 -0.651 1 1 903 . 5 1 1 A 75 75 HIS C C 98 173.800 174.903 -1.103 1 1 904 . 5 1 1 A 75 75 HIS CA C 98 57.800 55.428 2.372 1 1 905 . 5 1 1 A 75 75 HIS CB C 98 35.000 32.066 2.934 1 1 908 . 5 1 1 A 75 75 HIS N N 98 124.400 117.145 7.255 1 1 910 . 5 1 1 A 76 76 ALA H H 99 8.490 6.701 1.789 1 1 911 . 5 1 1 A 76 76 ALA HA H 99 5.580 4.401 1.179 1 1 915 . 5 1 1 A 76 76 ALA C C 99 176.500 174.549 1.951 1 1 916 . 5 1 1 A 76 76 ALA CA C 99 50.300 51.056 -0.756 1 1 917 . 5 1 1 A 76 76 ALA CB C 99 23.200 22.413 0.787 1 1 918 . 5 1 1 A 76 76 ALA N N 99 116.600 119.956 -3.356 1 1 919 . 5 1 1 A 77 77 GLU H H 100 9.030 8.284 0.746 1 1 920 . 5 1 1 A 77 77 GLU HA H 100 5.030 4.729 0.301 1 1 925 . 5 1 1 A 77 77 GLU C C 100 174.100 174.452 -0.352 1 1 926 . 5 1 1 A 77 77 GLU CA C 100 54.500 54.911 -0.411 1 1 927 . 5 1 1 A 77 77 GLU CB C 100 34.900 33.607 1.293 1 1 929 . 5 1 1 A 77 77 GLU N N 100 118.100 120.205 -2.105 1 1 930 . 5 1 1 A 78 78 PHE H H 101 9.400 8.661 0.739 1 1 931 . 5 1 1 A 78 78 PHE HA H 101 5.400 5.348 0.052 1 1 939 . 5 1 1 A 78 78 PHE C C 101 176.500 175.185 1.315 1 1 940 . 5 1 1 A 78 78 PHE CA C 101 56.700 56.496 0.204 1 1 941 . 5 1 1 A 78 78 PHE CB C 101 41.000 42.193 -1.193 1 1 946 . 5 1 1 A 78 78 PHE N N 101 119.600 123.227 -3.627 1 1 947 . 5 1 1 A 79 79 ARG H H 102 9.720 8.836 0.884 1 1 948 . 5 1 1 A 79 79 ARG HA H 102 5.490 5.248 0.242 1 1 956 . 5 1 1 A 79 79 ARG C C 102 174.300 174.178 0.122 1 1 957 . 5 1 1 A 79 79 ARG CA C 102 54.800 54.355 0.445 1 1 958 . 5 1 1 A 79 79 ARG CB C 102 33.100 34.517 -1.417 1 1 961 . 5 1 1 A 79 79 ARG N N 102 126.100 120.813 5.287 1 1 963 . 5 1 1 A 80 80 LEU H H 103 9.020 8.404 0.616 1 1 964 . 5 1 1 A 80 80 LEU HA H 103 4.400 4.686 -0.286 1 1 974 . 5 1 1 A 80 80 LEU C C 103 176.100 175.550 0.550 1 1 975 . 5 1 1 A 80 80 LEU CA C 103 54.100 53.811 0.289 1 1 976 . 5 1 1 A 80 80 LEU CB C 103 42.600 43.760 -1.160 1 1 980 . 5 1 1 A 80 80 LEU N N 103 128.000 125.700 2.300 1 1 981 . 5 1 1 A 81 81 GLU H H 104 8.860 8.595 0.265 1 1 982 . 5 1 1 A 81 81 GLU HA H 104 4.430 4.384 0.046 1 1 987 . 5 1 1 A 81 81 GLU C C 104 175.800 176.489 -0.689 1 1 988 . 5 1 1 A 81 81 GLU CA C 104 55.500 57.850 -2.350 1 1 989 . 5 1 1 A 81 81 GLU CB C 104 32.600 30.640 1.960 1 1 991 . 5 1 1 A 81 81 GLU N N 104 128.600 125.778 2.822 1 1 992 . 5 1 1 A 82 82 ASN H H 105 9.410 8.455 0.955 1 1 993 . 5 1 1 A 82 82 ASN HA H 105 4.200 4.767 -0.567 1 1 998 . 5 1 1 A 82 82 ASN C C 105 174.300 174.686 -0.386 1 1 999 . 5 1 1 A 82 82 ASN CA C 105 54.700 52.936 1.764 1 1 1000 . 5 1 1 A 82 82 ASN CB C 105 37.200 38.494 -1.294 1 1 1002 . 5 1 1 A 82 82 ASN N N 105 124.600 119.518 5.082 1 1 1004 . 5 1 1 A 83 83 ASN H H 106 8.640 8.456 0.184 1 1 1005 . 5 1 1 A 83 83 ASN HA H 106 4.010 4.237 -0.227 1 1 1010 . 5 1 1 A 83 83 ASN C C 106 173.100 175.299 -2.199 1 1 1011 . 5 1 1 A 83 83 ASN CA C 106 54.900 53.960 0.940 1 1 1012 . 5 1 1 A 83 83 ASN CB C 106 38.100 36.173 1.927 1 1 1014 . 5 1 1 A 83 83 ASN N N 106 108.900 115.814 -6.914 1 1 1016 . 5 1 1 A 84 84 GLU H H 107 7.660 8.360 -0.700 1 1 1017 . 5 1 1 A 84 84 GLU HA H 107 4.660 4.722 -0.062 1 1 1022 . 5 1 1 A 84 84 GLU C C 107 174.300 176.264 -1.964 1 1 1023 . 5 1 1 A 84 84 GLU CA C 107 54.700 55.497 -0.797 1 1 1024 . 5 1 1 A 84 84 GLU CB C 107 32.900 30.970 1.930 1 1 1026 . 5 1 1 A 84 84 GLU N N 107 118.300 118.280 0.020 1 1 1027 . 5 1 1 A 85 85 PHE H H 108 9.690 7.744 1.946 1 1 1028 . 5 1 1 A 85 85 PHE HA H 108 5.000 4.747 0.253 1 1 1035 . 5 1 1 A 85 85 PHE C C 108 174.500 173.861 0.639 1 1 1036 . 5 1 1 A 85 85 PHE CA C 108 58.600 58.859 -0.259 1 1 1037 . 5 1 1 A 85 85 PHE CB C 108 41.800 37.834 3.966 1 1 1042 . 5 1 1 A 85 85 PHE N N 108 121.100 116.565 4.535 1 1 1043 . 5 1 1 A 86 86 ASN H H 109 9.180 9.449 -0.269 1 1 1044 . 5 1 1 A 86 86 ASN HA H 109 5.580 5.445 0.135 1 1 1049 . 5 1 1 A 86 86 ASN C C 109 175.000 173.430 1.570 1 1 1050 . 5 1 1 A 86 86 ASN CA C 109 51.200 52.302 -1.102 1 1 1051 . 5 1 1 A 86 86 ASN CB C 109 42.100 43.166 -1.066 1 1 1053 . 5 1 1 A 86 86 ASN N N 109 119.400 120.483 -1.083 1 1 1055 . 5 1 1 A 87 87 VAL H H 110 9.060 8.715 0.345 1 1 1056 . 5 1 1 A 87 87 VAL HA H 110 4.940 4.910 0.030 1 1 1064 . 5 1 1 A 87 87 VAL C C 110 171.700 173.628 -1.928 1 1 1065 . 5 1 1 A 87 87 VAL CA C 110 58.400 59.722 -1.322 1 1 1066 . 5 1 1 A 87 87 VAL CB C 110 33.800 34.655 -0.855 1 1 1069 . 5 1 1 A 87 87 VAL N N 110 121.300 120.427 0.873 1 1 1070 . 5 1 1 A 88 88 VAL H H 111 8.640 8.822 -0.182 1 1 1071 . 5 1 1 A 88 88 VAL HA H 111 4.590 4.531 0.059 1 1 1079 . 5 1 1 A 88 88 VAL C C 111 175.700 174.142 1.558 1 1 1080 . 5 1 1 A 88 88 VAL CA C 111 60.100 60.473 -0.373 1 1 1081 . 5 1 1 A 88 88 VAL CB C 111 36.200 35.046 1.154 1 1 1084 . 5 1 1 A 88 88 VAL N N 111 125.500 128.006 -2.506 1 1 1085 . 5 1 1 A 89 89 ASP H H 112 8.480 8.097 0.383 1 1 1086 . 5 1 1 A 89 89 ASP HA H 112 4.870 4.800 0.070 1 1 1089 . 5 1 1 A 89 89 ASP C C 112 177.200 176.154 1.046 1 1 1090 . 5 1 1 A 89 89 ASP CA C 112 54.700 53.985 0.715 1 1 1091 . 5 1 1 A 89 89 ASP CB C 112 43.600 41.581 2.019 1 1 1092 . 5 1 1 A 89 89 ASP N N 112 126.600 127.760 -1.160 1 1 1093 . 5 1 1 A 90 90 VAL H H 113 7.980 8.404 -0.424 1 1 1094 . 5 1 1 A 90 90 VAL HA H 113 4.540 4.267 0.273 1 1 1102 . 5 1 1 A 90 90 VAL C C 113 174.400 178.008 -3.608 1 1 1103 . 5 1 1 A 90 90 VAL CA C 113 60.300 61.794 -1.494 1 1 1104 . 5 1 1 A 90 90 VAL CB C 113 29.500 33.145 -3.645 1 1 1107 . 5 1 1 A 90 90 VAL N N 113 119.700 124.790 -5.090 1 1 1108 . 5 1 1 A 91 91 GLY H H 114 8.600 8.509 0.091 1 1 1109 . 5 1 1 A 91 91 GLY HA2 H 114 4.260 3.864 0.396 1 1 1110 . 5 1 1 A 91 91 GLY HA3 H 114 3.720 3.866 -0.146 1 1 1111 . 5 1 1 A 91 91 GLY C C 114 175.300 174.393 0.907 1 1 1112 . 5 1 1 A 91 91 GLY CA C 114 45.700 45.812 -0.112 1 1 1113 . 5 1 1 A 91 91 GLY N N 114 111.300 111.012 0.288 1 1 1114 . 5 1 1 A 92 92 SER H H 115 9.190 7.816 1.374 1 1 1115 . 5 1 1 A 92 92 SER HA H 115 3.890 4.511 -0.621 1 1 1118 . 5 1 1 A 92 92 SER C C 115 174.500 173.866 0.634 1 1 1119 . 5 1 1 A 92 92 SER CA C 115 58.600 58.200 0.400 1 1 1120 . 5 1 1 A 92 92 SER CB C 115 61.300 64.501 -3.201 1 1 1121 . 5 1 1 A 92 92 SER N N 115 121.000 115.225 5.775 1 1 1122 . 5 1 1 A 93 93 LEU H H 116 7.720 8.357 -0.637 1 1 1123 . 5 1 1 A 93 93 LEU HA H 116 4.250 4.463 -0.213 1 1 1133 . 5 1 1 A 93 93 LEU C C 116 179.100 175.579 3.521 1 1 1134 . 5 1 1 A 93 93 LEU CA C 116 57.200 55.046 2.154 1 1 1135 . 5 1 1 A 93 93 LEU CB C 116 42.100 42.349 -0.249 1 1 1139 . 5 1 1 A 93 93 LEU N N 116 120.500 124.608 -4.108 1 1 1140 . 5 1 1 A 94 94 ASN H H 117 8.450 8.359 0.091 1 1 1141 . 5 1 1 A 94 94 ASN HA H 117 4.870 4.966 -0.096 1 1 1146 . 5 1 1 A 94 94 ASN C C 117 175.800 174.740 1.060 1 1 1147 . 5 1 1 A 94 94 ASN CA C 117 54.000 52.619 1.381 1 1 1148 . 5 1 1 A 94 94 ASN CB C 117 40.100 40.573 -0.473 1 1 1150 . 5 1 1 A 94 94 ASN N N 117 112.500 124.016 -11.516 1 1 1152 . 5 1 1 A 95 95 GLY H H 118 7.940 9.200 -1.260 1 1 1153 . 5 1 1 A 95 95 GLY HA2 H 118 4.190 3.887 0.303 1 1 1154 . 5 1 1 A 95 95 GLY HA3 H 118 3.610 3.912 -0.302 1 1 1155 . 5 1 1 A 95 95 GLY C C 118 174.000 173.938 0.062 1 1 1156 . 5 1 1 A 95 95 GLY CA C 118 44.300 46.898 -2.598 1 1 1157 . 5 1 1 A 95 95 GLY N N 118 109.800 114.559 -4.759 1 1 1158 . 5 1 1 A 96 96 THR H H 119 8.940 7.474 1.466 1 1 1159 . 5 1 1 A 96 96 THR HA H 119 3.820 4.083 -0.263 1 1 1165 . 5 1 1 A 96 96 THR C C 119 172.300 173.917 -1.617 1 1 1166 . 5 1 1 A 96 96 THR CA C 119 64.100 62.974 1.126 1 1 1167 . 5 1 1 A 96 96 THR CB C 119 70.200 69.516 0.684 1 1 1169 . 5 1 1 A 96 96 THR N N 119 122.000 115.344 6.656 1 1 1170 . 5 1 1 A 97 97 TYR H H 120 8.220 8.261 -0.041 1 1 1171 . 5 1 1 A 97 97 TYR HA H 120 5.340 5.563 -0.223 1 1 1178 . 5 1 1 A 97 97 TYR C C 120 175.900 172.427 3.473 1 1 1179 . 5 1 1 A 97 97 TYR CA C 120 55.600 55.687 -0.087 1 1 1180 . 5 1 1 A 97 97 TYR CB C 120 41.400 42.035 -0.635 1 1 1185 . 5 1 1 A 97 97 TYR N N 120 122.800 122.995 -0.195 1 1 1186 . 5 1 1 A 98 98 VAL H H 121 9.040 8.949 0.091 1 1 1187 . 5 1 1 A 98 98 VAL HA H 121 5.010 4.756 0.254 1 1 1195 . 5 1 1 A 98 98 VAL C C 121 176.900 175.173 1.727 1 1 1196 . 5 1 1 A 98 98 VAL CA C 121 61.100 59.647 1.453 1 1 1197 . 5 1 1 A 98 98 VAL CB C 121 33.000 34.477 -1.477 1 1 1200 . 5 1 1 A 98 98 VAL N N 121 121.400 121.142 0.258 1 1 1201 . 5 1 1 A 99 99 ASN H H 122 10.100 9.585 0.515 1 1 1202 . 5 1 1 A 99 99 ASN HA H 122 4.440 4.505 -0.065 1 1 1207 . 5 1 1 A 99 99 ASN C C 122 174.500 174.523 -0.023 1 1 1208 . 5 1 1 A 99 99 ASN CA C 122 55.000 54.772 0.228 1 1 1209 . 5 1 1 A 99 99 ASN CB C 122 37.000 36.873 0.127 1 1 1211 . 5 1 1 A 99 99 ASN N N 122 129.400 128.437 0.963 1 1 1213 . 5 1 1 A 100 100 ARG H H 123 9.290 8.794 0.496 1 1 1214 . 5 1 1 A 100 100 ARG HA H 123 3.680 3.606 0.074 1 1 1222 . 5 1 1 A 100 100 ARG C C 123 175.200 174.658 0.542 1 1 1223 . 5 1 1 A 100 100 ARG CA C 123 58.100 57.227 0.873 1 1 1224 . 5 1 1 A 100 100 ARG CB C 123 27.600 27.001 0.599 1 1 1227 . 5 1 1 A 100 100 ARG N N 123 106.100 109.393 -3.293 1 1 1229 . 5 1 1 A 101 101 GLU H H 124 7.970 7.876 0.094 1 1 1230 . 5 1 1 A 101 101 GLU HA H 124 5.110 4.788 0.322 1 1 1235 . 5 1 1 A 101 101 GLU CA C 124 53.000 53.955 -0.955 1 1 1236 . 5 1 1 A 101 101 GLU CB C 124 30.900 30.465 0.435 1 1 1238 . 5 1 1 A 101 101 GLU N N 124 121.300 117.874 3.426 1 1 1239 . 5 1 1 A 102 102 PRO HA H 125 4.050 4.549 -0.499 1 1 1246 . 5 1 1 A 102 102 PRO C C 125 177.500 176.376 1.124 1 1 1247 . 5 1 1 A 102 102 PRO CA C 125 62.300 63.315 -1.015 1 1 1248 . 5 1 1 A 102 102 PRO CB C 125 31.300 32.212 -0.912 1 1 1251 . 5 1 1 A 103 103 VAL H H 126 8.330 8.097 0.233 1 1 1252 . 5 1 1 A 103 103 VAL HA H 126 4.700 4.727 -0.027 1 1 1260 . 5 1 1 A 103 103 VAL C C 126 174.500 175.550 -1.050 1 1 1261 . 5 1 1 A 103 103 VAL CA C 126 58.900 59.554 -0.654 1 1 1262 . 5 1 1 A 103 103 VAL CB C 126 35.300 35.746 -0.446 1 1 1265 . 5 1 1 A 103 103 VAL N N 126 115.000 116.810 -1.810 1 1 1266 . 5 1 1 A 104 104 ASP H H 127 8.520 8.688 -0.168 1 1 1267 . 5 1 1 A 104 104 ASP HA H 127 4.780 4.418 0.362 1 1 1270 . 5 1 1 A 104 104 ASP C C 127 176.200 176.245 -0.045 1 1 1271 . 5 1 1 A 104 104 ASP CA C 127 55.800 57.145 -1.345 1 1 1272 . 5 1 1 A 104 104 ASP CB C 127 41.100 42.173 -1.073 1 1 1273 . 5 1 1 A 104 104 ASP N N 127 120.800 123.158 -2.358 1 1 1274 . 5 1 1 A 105 105 SER H H 128 7.650 7.744 -0.094 1 1 1275 . 5 1 1 A 105 105 SER HA H 128 5.440 5.051 0.389 1 1 1278 . 5 1 1 A 105 105 SER C C 128 173.400 172.758 0.642 1 1 1279 . 5 1 1 A 105 105 SER CA C 128 56.600 57.452 -0.852 1 1 1280 . 5 1 1 A 105 105 SER CB C 128 65.000 65.569 -0.569 1 1 1281 . 5 1 1 A 105 105 SER N N 128 111.500 110.114 1.386 1 1 1282 . 5 1 1 A 106 106 ALA H H 129 8.790 7.943 0.847 1 1 1283 . 5 1 1 A 106 106 ALA HA H 129 4.610 4.827 -0.217 1 1 1287 . 5 1 1 A 106 106 ALA C C 129 175.300 176.358 -1.058 1 1 1288 . 5 1 1 A 106 106 ALA CA C 129 52.100 51.569 0.531 1 1 1289 . 5 1 1 A 106 106 ALA CB C 129 22.600 22.872 -0.272 1 1 1290 . 5 1 1 A 106 106 ALA N N 129 125.100 121.686 3.414 1 1 1291 . 5 1 1 A 107 107 VAL H H 130 8.340 8.655 -0.315 1 1 1292 . 5 1 1 A 107 107 VAL HA H 130 4.160 4.436 -0.276 1 1 1300 . 5 1 1 A 107 107 VAL C C 130 176.300 176.260 0.040 1 1 1301 . 5 1 1 A 107 107 VAL CA C 130 62.600 62.362 0.238 1 1 1302 . 5 1 1 A 107 107 VAL CB C 130 32.000 32.079 -0.079 1 1 1305 . 5 1 1 A 107 107 VAL N N 130 122.800 119.567 3.233 1 1 1306 . 5 1 1 A 108 108 LEU H H 131 8.490 8.567 -0.077 1 1 1307 . 5 1 1 A 108 108 LEU HA H 131 4.370 4.296 0.074 1 1 1317 . 5 1 1 A 108 108 LEU C C 131 175.200 175.848 -0.648 1 1 1318 . 5 1 1 A 108 108 LEU CA C 131 54.200 54.663 -0.463 1 1 1319 . 5 1 1 A 108 108 LEU CB C 131 43.000 41.912 1.088 1 1 1323 . 5 1 1 A 108 108 LEU N N 131 128.900 127.870 1.030 1 1 1324 . 5 1 1 A 109 109 ALA H H 132 9.130 8.439 0.691 1 1 1325 . 5 1 1 A 109 109 ALA HA H 132 4.750 5.183 -0.433 1 1 1329 . 5 1 1 A 109 109 ALA C C 132 176.500 176.164 0.336 1 1 1330 . 5 1 1 A 109 109 ALA CA C 132 49.700 49.994 -0.294 1 1 1331 . 5 1 1 A 109 109 ALA CB C 132 22.400 23.311 -0.911 1 1 1332 . 5 1 1 A 109 109 ALA N N 132 126.000 122.957 3.043 1 1 1333 . 5 1 1 A 110 110 ASN H H 133 8.860 8.839 0.021 1 1 1334 . 5 1 1 A 110 110 ASN HA H 133 4.430 4.489 -0.059 1 1 1339 . 5 1 1 A 110 110 ASN C C 133 176.400 176.434 -0.034 1 1 1340 . 5 1 1 A 110 110 ASN CA C 133 56.400 55.069 1.331 1 1 1341 . 5 1 1 A 110 110 ASN CB C 133 39.800 38.128 1.672 1 1 1343 . 5 1 1 A 110 110 ASN N N 133 117.600 120.391 -2.791 1 1 1345 . 5 1 1 A 111 111 GLY H H 134 10.100 9.597 0.503 1 1 1346 . 5 1 1 A 111 111 GLY HA2 H 134 4.430 3.899 0.531 1 1 1347 . 5 1 1 A 111 111 GLY HA3 H 134 3.410 3.915 -0.505 1 1 1348 . 5 1 1 A 111 111 GLY C C 134 174.800 174.338 0.462 1 1 1349 . 5 1 1 A 111 111 GLY CA C 134 45.100 45.763 -0.663 1 1 1350 . 5 1 1 A 111 111 GLY N N 134 117.200 114.288 2.912 1 1 1351 . 5 1 1 A 112 112 ASP H H 135 8.640 8.555 0.085 1 1 1352 . 5 1 1 A 112 112 ASP HA H 135 4.430 4.682 -0.252 1 1 1355 . 5 1 1 A 112 112 ASP C C 135 174.700 175.872 -1.172 1 1 1356 . 5 1 1 A 112 112 ASP CA C 135 56.200 54.430 1.770 1 1 1357 . 5 1 1 A 112 112 ASP CB C 135 42.100 42.007 0.093 1 1 1358 . 5 1 1 A 112 112 ASP N N 135 122.900 122.064 0.836 1 1 1359 . 5 1 1 A 113 113 GLU H H 136 8.360 8.663 -0.303 1 1 1360 . 5 1 1 A 113 113 GLU HA H 136 5.220 4.797 0.423 1 1 1365 . 5 1 1 A 113 113 GLU C C 136 176.000 175.545 0.455 1 1 1366 . 5 1 1 A 113 113 GLU CA C 136 54.400 56.039 -1.639 1 1 1367 . 5 1 1 A 113 113 GLU CB C 136 32.900 30.853 2.047 1 1 1369 . 5 1 1 A 113 113 GLU N N 136 119.000 123.999 -4.999 1 1 1370 . 5 1 1 A 114 114 VAL H H 137 9.800 9.137 0.663 1 1 1371 . 5 1 1 A 114 114 VAL HA H 137 5.160 4.842 0.318 1 1 1379 . 5 1 1 A 114 114 VAL C C 137 174.400 174.209 0.191 1 1 1380 . 5 1 1 A 114 114 VAL CA C 137 60.400 60.922 -0.522 1 1 1381 . 5 1 1 A 114 114 VAL CB C 137 34.300 34.647 -0.347 1 1 1384 . 5 1 1 A 114 114 VAL N N 137 129.000 125.256 3.744 1 1 1385 . 5 1 1 A 115 115 GLN H H 138 9.610 8.954 0.656 1 1 1386 . 5 1 1 A 115 115 GLN HA H 138 5.430 5.164 0.266 1 1 1393 . 5 1 1 A 115 115 GLN C C 138 174.800 174.392 0.408 1 1 1394 . 5 1 1 A 115 115 GLN CA C 138 54.500 54.021 0.479 1 1 1395 . 5 1 1 A 115 115 GLN CB C 138 30.700 31.877 -1.177 1 1 1398 . 5 1 1 A 115 115 GLN N N 138 129.300 127.500 1.800 1 1 1399 . 5 1 1 A 116 116 ILE H H 139 8.400 8.798 -0.398 1 1 1400 . 5 1 1 A 116 116 ILE HA H 139 4.020 4.508 -0.488 1 1 1410 . 5 1 1 A 116 116 ILE C C 139 174.500 176.514 -2.014 1 1 1411 . 5 1 1 A 116 116 ILE CA C 139 60.600 60.022 0.578 1 1 1412 . 5 1 1 A 116 116 ILE CB C 139 40.900 40.473 0.427 1 1 1416 . 5 1 1 A 116 116 ILE N N 139 128.300 126.865 1.435 1 1 1417 . 5 1 1 A 117 117 GLY H H 140 9.650 8.917 0.733 1 1 1418 . 5 1 1 A 117 117 GLY HA2 H 140 3.820 3.866 -0.046 1 1 1419 . 5 1 1 A 117 117 GLY HA3 H 140 3.630 3.886 -0.256 1 1 1420 . 5 1 1 A 117 117 GLY C C 140 175.400 174.465 0.935 1 1 1421 . 5 1 1 A 117 117 GLY CA C 140 46.500 47.358 -0.858 1 1 1422 . 5 1 1 A 117 117 GLY N N 140 116.800 115.820 0.980 1 1 1423 . 5 1 1 A 118 118 LYS H H 141 7.960 8.484 -0.524 1 1 1424 . 5 1 1 A 118 118 LYS HA H 141 4.070 4.433 -0.363 1 1 1433 . 5 1 1 A 118 118 LYS C C 141 175.600 175.074 0.526 1 1 1434 . 5 1 1 A 118 118 LYS CA C 141 56.700 55.585 1.115 1 1 1435 . 5 1 1 A 118 118 LYS CB C 141 32.600 34.441 -1.841 1 1 1439 . 5 1 1 A 118 118 LYS N N 141 122.400 125.019 -2.619 1 1 1440 . 5 1 1 A 119 119 PHE H H 142 8.260 7.897 0.363 1 1 1441 . 5 1 1 A 119 119 PHE HA H 142 4.540 4.923 -0.383 1 1 1449 . 5 1 1 A 119 119 PHE C C 142 174.700 175.645 -0.945 1 1 1450 . 5 1 1 A 119 119 PHE CA C 142 58.200 57.396 0.804 1 1 1451 . 5 1 1 A 119 119 PHE CB C 142 39.900 41.031 -1.131 1 1 1456 . 5 1 1 A 119 119 PHE N N 142 119.500 119.268 0.232 1 1 1457 . 5 1 1 A 120 120 ARG H H 143 8.690 8.828 -0.138 1 1 1458 . 5 1 1 A 120 120 ARG HA H 143 5.020 5.068 -0.048 1 1 1465 . 5 1 1 A 120 120 ARG C C 143 174.800 175.431 -0.631 1 1 1466 . 5 1 1 A 120 120 ARG CA C 143 55.100 55.245 -0.145 1 1 1467 . 5 1 1 A 120 120 ARG CB C 143 32.800 32.415 0.385 1 1 1470 . 5 1 1 A 120 120 ARG N N 143 121.500 121.666 -0.166 1 1 1471 . 5 1 1 A 121 121 LEU H H 144 9.760 9.592 0.168 1 1 1472 . 5 1 1 A 121 121 LEU HA H 144 5.420 5.156 0.264 1 1 1482 . 5 1 1 A 121 121 LEU C C 144 175.000 175.144 -0.144 1 1 1483 . 5 1 1 A 121 121 LEU CA C 144 53.900 53.407 0.493 1 1 1484 . 5 1 1 A 121 121 LEU CB C 144 44.900 45.634 -0.734 1 1 1488 . 5 1 1 A 121 121 LEU N N 144 126.400 126.046 0.354 1 1 1489 . 5 1 1 A 122 122 VAL H H 145 9.370 9.017 0.353 1 1 1490 . 5 1 1 A 122 122 VAL HA H 145 5.010 5.256 -0.246 1 1 1498 . 5 1 1 A 122 122 VAL C C 145 173.700 173.627 0.073 1 1 1499 . 5 1 1 A 122 122 VAL CA C 145 60.800 59.492 1.308 1 1 1500 . 5 1 1 A 122 122 VAL CB C 145 34.300 34.491 -0.191 1 1 1503 . 5 1 1 A 122 122 VAL N N 145 121.900 122.506 -0.606 1 1 1504 . 5 1 1 A 123 123 PHE H H 146 8.830 9.067 -0.237 1 1 1505 . 5 1 1 A 123 123 PHE HA H 146 4.980 4.866 0.114 1 1 1513 . 5 1 1 A 123 123 PHE C C 146 172.700 174.755 -2.055 1 1 1514 . 5 1 1 A 123 123 PHE CA C 146 57.100 56.907 0.193 1 1 1515 . 5 1 1 A 123 123 PHE CB C 146 41.100 40.595 0.505 1 1 1521 . 5 1 1 A 123 123 PHE N N 146 128.700 130.401 -1.701 1 1 1522 . 5 1 1 A 124 124 LEU H H 147 8.650 7.924 0.726 1 1 1523 . 5 1 1 A 124 124 LEU HA H 147 5.020 5.001 0.019 1 1 1533 . 5 1 1 A 124 124 LEU C C 147 175.300 174.861 0.439 1 1 1534 . 5 1 1 A 124 124 LEU CA C 147 52.600 52.982 -0.382 1 1 1535 . 5 1 1 A 124 124 LEU CB C 147 45.600 46.140 -0.540 1 1 1539 . 5 1 1 A 124 124 LEU N N 147 128.000 122.525 5.475 1 1 1540 . 5 1 1 A 125 125 THR H H 148 8.300 8.429 -0.129 1 1 1541 . 5 1 1 A 125 125 THR HA H 148 4.330 4.636 -0.306 1 1 1546 . 5 1 1 A 125 125 THR C C 148 173.900 174.676 -0.776 1 1 1547 . 5 1 1 A 125 125 THR CA C 148 60.200 60.390 -0.190 1 1 1548 . 5 1 1 A 125 125 THR CB C 148 70.300 70.417 -0.117 1 1 1550 . 5 1 1 A 125 125 THR N N 148 110.600 108.145 2.455 1 1 1551 . 5 1 1 A 126 126 GLY H H 149 8.310 8.776 -0.466 1 1 1552 . 5 1 1 A 126 126 GLY HA2 H 149 3.840 3.920 -0.080 1 1 1553 . 5 1 1 A 126 126 GLY HA3 H 149 3.840 3.923 -0.083 1 1 1554 . 5 1 1 A 126 126 GLY CA C 149 45.200 45.458 -0.258 1 1 1555 . 5 1 1 A 126 126 GLY N N 149 109.800 109.228 0.572 1 1 1556 . 5 1 1 A 127 127 HIS H H 150 8.310 7.806 0.504 1 1 1557 . 5 1 1 A 127 127 HIS HA H 150 4.630 4.236 0.394 1 1 1562 . 5 1 1 A 127 127 HIS C C 150 174.800 174.523 0.277 1 1 1563 . 5 1 1 A 127 127 HIS CA C 150 55.900 56.636 -0.736 1 1 1564 . 5 1 1 A 127 127 HIS CB C 150 30.700 28.073 2.627 1 1 1567 . 5 1 1 A 127 127 HIS N N 150 119.300 117.561 1.739 1 1 1570 . 5 1 1 A 128 128 LYS H H 151 8.490 7.988 0.502 1 1 1571 . 5 1 1 A 128 128 LYS HA H 151 4.300 4.338 -0.038 1 1 1580 . 5 1 1 A 128 128 LYS C C 151 176.200 175.947 0.253 1 1 1581 . 5 1 1 A 128 128 LYS CA C 151 56.100 56.102 -0.002 1 1 1582 . 5 1 1 A 128 128 LYS CB C 151 33.200 33.168 0.032 1 1 1586 . 5 1 1 A 128 128 LYS N N 151 123.800 117.276 6.524 1 1 1587 . 5 1 1 A 129 129 GLN H H 152 8.640 8.442 0.198 1 1 1588 . 5 1 1 A 129 129 GLN HA H 152 4.270 4.228 0.042 1 1 1595 . 5 1 1 A 129 129 GLN C C 152 176.500 176.315 0.185 1 1 1596 . 5 1 1 A 129 129 GLN CA C 152 56.400 56.217 0.183 1 1 1597 . 5 1 1 A 129 129 GLN CB C 152 29.500 29.281 0.219 1 1 1600 . 5 1 1 A 129 129 GLN N N 152 122.900 121.828 1.072 1 1 1602 . 5 1 1 A 130 130 GLY H H 153 8.640 8.572 0.068 1 1 1603 . 5 1 1 A 130 130 GLY HA2 H 153 3.990 4.081 -0.091 1 1 1604 . 5 1 1 A 130 130 GLY HA3 H 153 3.910 4.089 -0.179 1 1 1605 . 5 1 1 A 130 130 GLY C C 153 174.100 173.880 0.220 1 1 1606 . 5 1 1 A 130 130 GLY CA C 153 45.400 44.505 0.895 1 1 1607 . 5 1 1 A 130 130 GLY N N 153 111.100 109.979 1.121 1 1 1608 . 5 1 1 A 131 131 GLU H H 154 8.220 8.773 -0.553 1 1 1609 . 5 1 1 A 131 131 GLU HA H 154 4.260 4.069 0.191 1 1 1614 . 5 1 1 A 131 131 GLU C C 154 176.100 175.566 0.534 1 1 1615 . 5 1 1 A 131 131 GLU CA C 154 56.600 58.504 -1.904 1 1 1616 . 5 1 1 A 131 131 GLU CB C 154 30.600 28.192 2.408 1 1 1618 . 5 1 1 A 131 131 GLU N N 154 120.500 120.371 0.129 1 1 1619 . 5 1 1 A 132 132 ASP H H 155 8.530 8.371 0.159 1 1 1620 . 5 1 1 A 132 132 ASP HA H 155 4.560 4.455 0.105 1 1 1623 . 5 1 1 A 132 132 ASP C C 155 176.300 175.903 0.397 1 1 1624 . 5 1 1 A 132 132 ASP CA C 155 54.300 54.492 -0.192 1 1 1625 . 5 1 1 A 132 132 ASP CB C 155 41.000 41.034 -0.034 1 1 1626 . 5 1 1 A 132 132 ASP N N 155 121.300 121.519 -0.219 1 1 1627 . 5 1 1 A 133 133 LEU H H 156 8.230 8.438 -0.208 1 1 1628 . 5 1 1 A 133 133 LEU HA H 156 4.200 4.203 -0.003 1 1 1638 . 5 1 1 A 133 133 LEU C C 156 177.700 176.634 1.066 1 1 1639 . 5 1 1 A 133 133 LEU CA C 156 55.500 55.135 0.365 1 1 1640 . 5 1 1 A 133 133 LEU CB C 156 42.100 42.185 -0.085 1 1 1644 . 5 1 1 A 133 133 LEU N N 156 122.500 123.335 -0.835 1 1 1645 . 5 1 1 A 134 134 GLU H H 157 8.270 8.068 0.202 1 1 1646 . 5 1 1 A 134 134 GLU HA H 157 4.100 4.459 -0.359 1 1 1651 . 5 1 1 A 134 134 GLU C C 157 177.300 176.798 0.502 1 1 1652 . 5 1 1 A 134 134 GLU CA C 157 56.900 56.408 0.492 1 1 1653 . 5 1 1 A 134 134 GLU CB C 157 30.000 30.281 -0.281 1 1 1655 . 5 1 1 A 134 134 GLU N N 157 119.800 122.567 -2.767 1 1 1656 . 5 1 1 A 135 135 HIS H H 158 8.150 8.805 -0.655 1 1 1657 . 5 1 1 A 135 135 HIS HA H 158 4.530 4.902 -0.372 1 1 1662 . 5 1 1 A 135 135 HIS CA C 158 56.100 56.934 -0.834 1 1 1663 . 5 1 1 A 135 135 HIS CB C 158 30.000 30.704 -0.704 1 1 1664 . 5 1 1 A 135 135 HIS N N 158 118.500 124.287 -5.787 1 1 1665 . 5 1 1 A 139 139 HIS HA H 162 4.590 4.092 0.498 1 1 1668 . 5 1 1 A 139 139 HIS C C 162 173.900 175.091 -1.191 1 1 1669 . 5 1 1 A 139 139 HIS CA C 162 55.900 56.560 -0.660 1 1 1670 . 5 1 1 A 139 139 HIS CB C 162 30.100 28.054 2.046 1 1 15 . 6 1 1 A 2 2 PHE H H 25 8.640 9.313 -0.673 1 1 16 . 6 1 1 A 2 2 PHE HA H 25 4.630 4.112 0.518 1 1 24 . 6 1 1 A 2 2 PHE C C 25 175.000 174.949 0.051 1 1 25 . 6 1 1 A 2 2 PHE CA C 25 58.000 58.777 -0.777 1 1 26 . 6 1 1 A 2 2 PHE CB C 25 39.700 37.826 1.874 1 1 31 . 6 1 1 A 3 3 ARG H H 26 8.210 8.416 -0.206 1 1 32 . 6 1 1 A 3 3 ARG HA H 26 4.200 3.904 0.296 1 1 40 . 6 1 1 A 3 3 ARG C C 26 175.100 174.913 0.187 1 1 41 . 6 1 1 A 3 3 ARG CA C 26 55.600 56.689 -1.089 1 1 42 . 6 1 1 A 3 3 ARG CB C 26 31.300 29.253 2.047 1 1 45 . 6 1 1 A 3 3 ARG N N 26 125.000 125.567 -0.567 1 1 47 . 6 1 1 A 4 4 ALA H H 27 8.260 8.283 -0.023 1 1 48 . 6 1 1 A 4 4 ALA HA H 27 4.090 4.118 -0.028 1 1 52 . 6 1 1 A 4 4 ALA C C 27 177.300 178.447 -1.147 1 1 53 . 6 1 1 A 4 4 ALA CA C 27 52.800 52.324 0.476 1 1 54 . 6 1 1 A 4 4 ALA CB C 27 19.200 18.516 0.684 1 1 55 . 6 1 1 A 4 4 ALA N N 27 125.400 126.509 -1.109 1 1 56 . 6 1 1 A 5 5 ASP H H 28 8.260 8.488 -0.228 1 1 57 . 6 1 1 A 5 5 ASP HA H 28 4.470 4.607 -0.137 1 1 60 . 6 1 1 A 5 5 ASP C C 28 176.200 176.912 -0.712 1 1 61 . 6 1 1 A 5 5 ASP CA C 28 54.500 54.260 0.240 1 1 62 . 6 1 1 A 5 5 ASP CB C 28 40.700 40.487 0.213 1 1 63 . 6 1 1 A 5 5 ASP N N 28 118.200 121.243 -3.043 1 1 64 . 6 1 1 A 6 6 PHE H H 29 7.930 6.952 0.978 1 1 65 . 6 1 1 A 6 6 PHE HA H 29 4.510 4.631 -0.121 1 1 73 . 6 1 1 A 6 6 PHE C C 29 175.700 176.604 -0.904 1 1 74 . 6 1 1 A 6 6 PHE CA C 29 58.000 57.476 0.524 1 1 75 . 6 1 1 A 6 6 PHE CB C 29 39.300 39.831 -0.531 1 1 81 . 6 1 1 A 6 6 PHE N N 29 119.400 116.267 3.133 1 1 82 . 6 1 1 A 7 7 LEU H H 30 8.000 7.137 0.863 1 1 83 . 6 1 1 A 7 7 LEU HA H 30 4.210 4.293 -0.083 1 1 93 . 6 1 1 A 7 7 LEU C C 30 177.400 177.862 -0.462 1 1 94 . 6 1 1 A 7 7 LEU CA C 30 55.400 55.099 0.301 1 1 95 . 6 1 1 A 7 7 LEU CB C 30 42.200 42.134 0.066 1 1 99 . 6 1 1 A 7 7 LEU N N 30 122.100 120.435 1.665 1 1 100 . 6 1 1 A 8 8 SER H H 31 8.130 7.644 0.486 1 1 101 . 6 1 1 A 8 8 SER HA H 31 4.330 4.360 -0.030 1 1 104 . 6 1 1 A 8 8 SER C C 31 174.900 173.903 0.997 1 1 105 . 6 1 1 A 8 8 SER CA C 31 58.800 58.822 -0.022 1 1 106 . 6 1 1 A 8 8 SER CB C 31 63.800 63.701 0.099 1 1 107 . 6 1 1 A 8 8 SER N N 31 116.000 111.495 4.505 1 1 108 . 6 1 1 A 9 9 GLU H H 32 8.380 7.596 0.784 1 1 109 . 6 1 1 A 9 9 GLU HA H 32 4.240 4.668 -0.428 1 1 114 . 6 1 1 A 9 9 GLU C C 32 176.600 176.826 -0.226 1 1 115 . 6 1 1 A 9 9 GLU CA C 32 57.000 55.232 1.768 1 1 116 . 6 1 1 A 9 9 GLU CB C 32 30.000 31.640 -1.640 1 1 118 . 6 1 1 A 9 9 GLU N N 32 122.200 121.420 0.780 1 1 119 . 6 1 1 A 10 10 LEU H H 33 7.990 8.461 -0.471 1 1 120 . 6 1 1 A 10 10 LEU HA H 33 4.220 4.073 0.147 1 1 130 . 6 1 1 A 10 10 LEU C C 33 177.100 177.357 -0.257 1 1 131 . 6 1 1 A 10 10 LEU CA C 33 55.500 57.877 -2.377 1 1 132 . 6 1 1 A 10 10 LEU CB C 33 42.200 41.828 0.372 1 1 136 . 6 1 1 A 10 10 LEU N N 33 121.200 126.733 -5.533 1 1 137 . 6 1 1 A 11 11 ASP H H 34 8.090 7.891 0.199 1 1 138 . 6 1 1 A 11 11 ASP HA H 34 4.550 4.755 -0.205 1 1 141 . 6 1 1 A 11 11 ASP C C 34 175.400 175.352 0.048 1 1 142 . 6 1 1 A 11 11 ASP CA C 34 54.200 53.675 0.525 1 1 143 . 6 1 1 A 11 11 ASP CB C 34 41.300 41.211 0.089 1 1 144 . 6 1 1 A 11 11 ASP N N 34 120.000 118.403 1.597 1 1 145 . 6 1 1 A 12 12 ALA H H 35 7.950 8.597 -0.647 1 1 146 . 6 1 1 A 12 12 ALA HA H 35 4.510 4.404 0.106 1 1 150 . 6 1 1 A 12 12 ALA CA C 35 50.800 53.376 -2.576 1 1 151 . 6 1 1 A 12 12 ALA CB C 35 18.300 20.155 -1.855 1 1 152 . 6 1 1 A 12 12 ALA N N 35 124.600 127.662 -3.062 1 1 153 . 6 1 1 A 13 13 PRO HA H 36 4.360 4.296 0.064 1 1 160 . 6 1 1 A 13 13 PRO C C 36 176.900 177.127 -0.227 1 1 161 . 6 1 1 A 13 13 PRO CA C 36 63.200 65.488 -2.288 1 1 162 . 6 1 1 A 13 13 PRO CB C 36 32.000 30.815 1.185 1 1 165 . 6 1 1 A 14 14 ALA H H 37 8.390 7.746 0.644 1 1 166 . 6 1 1 A 14 14 ALA HA H 37 4.230 3.971 0.259 1 1 170 . 6 1 1 A 14 14 ALA C C 37 177.900 177.215 0.685 1 1 171 . 6 1 1 A 14 14 ALA CA C 37 52.600 53.976 -1.376 1 1 172 . 6 1 1 A 14 14 ALA CB C 37 19.300 17.756 1.544 1 1 173 . 6 1 1 A 14 14 ALA N N 37 123.900 120.152 3.748 1 1 174 . 6 1 1 A 15 15 GLN H H 38 8.330 8.696 -0.366 1 1 175 . 6 1 1 A 15 15 GLN HA H 38 4.280 4.417 -0.137 1 1 182 . 6 1 1 A 15 15 GLN C C 38 175.800 175.491 0.309 1 1 183 . 6 1 1 A 15 15 GLN CA C 38 55.700 54.756 0.944 1 1 184 . 6 1 1 A 15 15 GLN CB C 38 29.600 27.859 1.741 1 1 187 . 6 1 1 A 15 15 GLN N N 38 119.300 117.366 1.934 1 1 189 . 6 1 1 A 16 16 ALA H H 39 8.410 7.537 0.873 1 1 190 . 6 1 1 A 16 16 ALA HA H 39 4.070 4.006 0.064 1 1 194 . 6 1 1 A 16 16 ALA C C 39 178.200 176.828 1.372 1 1 195 . 6 1 1 A 16 16 ALA CA C 39 52.800 53.553 -0.753 1 1 196 . 6 1 1 A 16 16 ALA CB C 39 19.300 17.884 1.416 1 1 197 . 6 1 1 A 16 16 ALA N N 39 125.600 120.067 5.533 1 1 198 . 6 1 1 A 17 17 GLY H H 40 8.510 8.020 0.490 1 1 199 . 6 1 1 A 17 17 GLY HA2 H 40 4.010 3.995 0.015 1 1 200 . 6 1 1 A 17 17 GLY HA3 H 40 4.010 4.004 0.006 1 1 201 . 6 1 1 A 17 17 GLY C C 40 174.600 174.052 0.548 1 1 202 . 6 1 1 A 17 17 GLY CA C 40 45.400 44.362 1.038 1 1 203 . 6 1 1 A 17 17 GLY N N 40 108.500 105.509 2.991 1 1 204 . 6 1 1 A 18 18 THR H H 41 8.020 8.580 -0.560 1 1 205 . 6 1 1 A 18 18 THR HA H 41 4.320 4.300 0.020 1 1 210 . 6 1 1 A 18 18 THR C C 41 174.900 173.708 1.192 1 1 211 . 6 1 1 A 18 18 THR CA C 41 62.100 62.894 -0.794 1 1 212 . 6 1 1 A 18 18 THR CB C 41 69.900 68.860 1.040 1 1 214 . 6 1 1 A 18 18 THR N N 41 112.900 115.004 -2.104 1 1 215 . 6 1 1 A 19 19 GLU H H 42 8.630 8.443 0.187 1 1 216 . 6 1 1 A 19 19 GLU HA H 42 4.300 4.392 -0.092 1 1 221 . 6 1 1 A 19 19 GLU C C 42 176.600 176.260 0.340 1 1 222 . 6 1 1 A 19 19 GLU CA C 42 56.900 55.290 1.610 1 1 223 . 6 1 1 A 19 19 GLU CB C 42 30.000 30.021 -0.021 1 1 225 . 6 1 1 A 19 19 GLU N N 42 123.000 122.011 0.989 1 1 226 . 6 1 1 A 20 20 SER H H 43 8.330 8.928 -0.598 1 1 227 . 6 1 1 A 20 20 SER HA H 43 4.400 4.154 0.246 1 1 230 . 6 1 1 A 20 20 SER C C 43 174.300 174.822 -0.522 1 1 231 . 6 1 1 A 20 20 SER CA C 43 58.500 59.342 -0.842 1 1 232 . 6 1 1 A 20 20 SER CB C 43 63.900 63.024 0.876 1 1 233 . 6 1 1 A 20 20 SER N N 43 116.600 115.034 1.566 1 1 234 . 6 1 1 A 21 21 ALA H H 44 8.320 7.947 0.373 1 1 235 . 6 1 1 A 21 21 ALA HA H 44 4.300 4.261 0.039 1 1 239 . 6 1 1 A 21 21 ALA C C 44 177.700 177.293 0.407 1 1 240 . 6 1 1 A 21 21 ALA CA C 44 52.700 52.053 0.647 1 1 241 . 6 1 1 A 21 21 ALA CB C 44 19.300 19.404 -0.104 1 1 242 . 6 1 1 A 21 21 ALA N N 44 126.000 122.399 3.601 1 1 243 . 6 1 1 A 22 22 VAL H H 45 8.040 7.532 0.508 1 1 244 . 6 1 1 A 22 22 VAL HA H 45 4.100 4.156 -0.056 1 1 252 . 6 1 1 A 22 22 VAL C C 45 176.100 175.652 0.448 1 1 253 . 6 1 1 A 22 22 VAL CA C 45 62.300 61.700 0.600 1 1 254 . 6 1 1 A 22 22 VAL CB C 45 32.700 32.734 -0.034 1 1 257 . 6 1 1 A 22 22 VAL N N 45 118.100 118.012 0.088 1 1 258 . 6 1 1 A 23 23 SER H H 46 8.370 8.593 -0.223 1 1 259 . 6 1 1 A 23 23 SER HA H 46 4.410 4.473 -0.063 1 1 262 . 6 1 1 A 23 23 SER C C 46 174.900 174.799 0.101 1 1 263 . 6 1 1 A 23 23 SER CA C 46 58.500 58.382 0.118 1 1 264 . 6 1 1 A 23 23 SER CB C 46 63.900 64.168 -0.268 1 1 265 . 6 1 1 A 23 23 SER N N 46 119.100 117.280 1.820 1 1 266 . 6 1 1 A 24 24 GLY H H 47 8.370 8.586 -0.216 1 1 267 . 6 1 1 A 24 24 GLY HA2 H 47 3.950 4.040 -0.090 1 1 268 . 6 1 1 A 24 24 GLY HA3 H 47 3.950 4.053 -0.103 1 1 269 . 6 1 1 A 24 24 GLY C C 47 174.200 174.057 0.143 1 1 270 . 6 1 1 A 24 24 GLY CA C 47 45.400 45.674 -0.274 1 1 271 . 6 1 1 A 24 24 GLY N N 47 110.500 110.770 -0.270 1 1 272 . 6 1 1 A 25 25 VAL H H 48 7.980 8.061 -0.081 1 1 273 . 6 1 1 A 25 25 VAL HA H 48 4.040 4.192 -0.152 1 1 281 . 6 1 1 A 25 25 VAL C C 48 176.100 175.337 0.763 1 1 282 . 6 1 1 A 25 25 VAL CA C 48 62.200 61.519 0.681 1 1 283 . 6 1 1 A 25 25 VAL CB C 48 32.500 32.430 0.070 1 1 286 . 6 1 1 A 25 25 VAL N N 48 118.100 119.924 -1.824 1 1 287 . 6 1 1 A 26 26 GLU H H 49 8.580 8.649 -0.069 1 1 288 . 6 1 1 A 26 26 GLU HA H 49 4.160 4.041 0.119 1 1 293 . 6 1 1 A 26 26 GLU C C 49 176.900 176.516 0.384 1 1 294 . 6 1 1 A 26 26 GLU CA C 49 57.400 57.851 -0.451 1 1 295 . 6 1 1 A 26 26 GLU CB C 49 29.800 29.177 0.623 1 1 297 . 6 1 1 A 26 26 GLU N N 49 123.900 124.981 -1.081 1 1 298 . 6 1 1 A 27 27 GLY H H 50 8.330 8.647 -0.317 1 1 299 . 6 1 1 A 27 27 GLY HA2 H 50 3.890 3.941 -0.051 1 1 300 . 6 1 1 A 27 27 GLY HA3 H 50 3.830 3.942 -0.112 1 1 301 . 6 1 1 A 27 27 GLY C C 50 173.800 173.071 0.729 1 1 302 . 6 1 1 A 27 27 GLY CA C 50 45.200 44.942 0.258 1 1 303 . 6 1 1 A 27 27 GLY N N 50 109.500 115.972 -6.472 1 1 304 . 6 1 1 A 28 28 LEU H H 51 7.770 8.294 -0.524 1 1 305 . 6 1 1 A 28 28 LEU HA H 51 4.470 4.826 -0.356 1 1 315 . 6 1 1 A 28 28 LEU CA C 51 52.800 51.771 1.029 1 1 316 . 6 1 1 A 28 28 LEU CB C 51 42.200 42.244 -0.044 1 1 320 . 6 1 1 A 28 28 LEU N N 51 123.000 116.892 6.108 1 1 321 . 6 1 1 A 29 29 PRO HA H 52 4.660 4.284 0.376 1 1 328 . 6 1 1 A 29 29 PRO CA C 52 61.600 65.295 -3.695 1 1 329 . 6 1 1 A 29 29 PRO CB C 52 30.800 31.826 -1.026 1 1 332 . 6 1 1 A 30 30 PRO HA H 53 4.340 4.485 -0.145 1 1 339 . 6 1 1 A 30 30 PRO C C 53 177.500 177.739 -0.239 1 1 340 . 6 1 1 A 30 30 PRO CA C 53 63.500 63.602 -0.102 1 1 341 . 6 1 1 A 30 30 PRO CB C 53 32.000 32.403 -0.403 1 1 344 . 6 1 1 A 31 31 GLY H H 54 8.690 7.645 1.045 1 1 345 . 6 1 1 A 31 31 GLY HA2 H 54 4.060 3.947 0.113 1 1 346 . 6 1 1 A 31 31 GLY HA3 H 54 3.660 3.976 -0.316 1 1 347 . 6 1 1 A 31 31 GLY C C 54 172.900 174.571 -1.671 1 1 348 . 6 1 1 A 31 31 GLY CA C 54 45.400 47.001 -1.601 1 1 349 . 6 1 1 A 31 31 GLY N N 54 110.100 109.140 0.960 1 1 350 . 6 1 1 A 32 32 LEU H H 55 7.510 7.947 -0.437 1 1 351 . 6 1 1 A 32 32 LEU HA H 55 4.960 5.218 -0.258 1 1 361 . 6 1 1 A 32 32 LEU C C 55 175.400 176.129 -0.729 1 1 362 . 6 1 1 A 32 32 LEU CA C 55 54.100 53.136 0.964 1 1 363 . 6 1 1 A 32 32 LEU CB C 55 44.400 45.266 -0.866 1 1 367 . 6 1 1 A 32 32 LEU N N 55 119.300 120.387 -1.087 1 1 368 . 6 1 1 A 33 33 ALA H H 56 7.840 8.754 -0.914 1 1 369 . 6 1 1 A 33 33 ALA HA H 56 4.500 5.102 -0.602 1 1 373 . 6 1 1 A 33 33 ALA C C 56 178.200 175.149 3.051 1 1 374 . 6 1 1 A 33 33 ALA CA C 56 51.100 50.008 1.092 1 1 375 . 6 1 1 A 33 33 ALA CB C 56 23.900 23.279 0.621 1 1 376 . 6 1 1 A 33 33 ALA N N 56 121.800 122.490 -0.690 1 1 377 . 6 1 1 A 34 34 LEU H H 57 8.640 8.230 0.410 1 1 378 . 6 1 1 A 34 34 LEU HA H 57 4.930 5.087 -0.157 1 1 388 . 6 1 1 A 34 34 LEU C C 57 174.400 175.665 -1.265 1 1 389 . 6 1 1 A 34 34 LEU CA C 57 53.400 53.540 -0.140 1 1 390 . 6 1 1 A 34 34 LEU CB C 57 47.300 45.301 1.999 1 1 394 . 6 1 1 A 34 34 LEU N N 57 119.200 119.761 -0.561 1 1 395 . 6 1 1 A 35 35 LEU H H 58 8.640 8.294 0.346 1 1 396 . 6 1 1 A 35 35 LEU HA H 58 5.440 5.158 0.282 1 1 406 . 6 1 1 A 35 35 LEU C C 58 176.200 175.915 0.285 1 1 407 . 6 1 1 A 35 35 LEU CA C 58 52.600 53.264 -0.664 1 1 408 . 6 1 1 A 35 35 LEU CB C 58 46.000 44.325 1.675 1 1 412 . 6 1 1 A 35 35 LEU N N 58 119.400 122.356 -2.956 1 1 413 . 6 1 1 A 36 36 VAL H H 59 8.960 8.987 -0.027 1 1 414 . 6 1 1 A 36 36 VAL HA H 59 4.860 4.878 -0.018 1 1 422 . 6 1 1 A 36 36 VAL C C 59 176.400 175.483 0.917 1 1 423 . 6 1 1 A 36 36 VAL CA C 59 59.900 60.054 -0.154 1 1 424 . 6 1 1 A 36 36 VAL CB C 59 34.600 34.635 -0.035 1 1 427 . 6 1 1 A 36 36 VAL N N 59 120.700 123.898 -3.198 1 1 428 . 6 1 1 A 37 37 VAL H H 60 8.830 8.655 0.175 1 1 429 . 6 1 1 A 37 37 VAL HA H 60 4.170 3.968 0.202 1 1 437 . 6 1 1 A 37 37 VAL C C 60 176.000 176.200 -0.200 1 1 438 . 6 1 1 A 37 37 VAL CA C 60 63.900 63.480 0.420 1 1 439 . 6 1 1 A 37 37 VAL CB C 60 31.400 31.049 0.351 1 1 442 . 6 1 1 A 37 37 VAL N N 60 125.700 126.721 -1.021 1 1 443 . 6 1 1 A 38 38 LYS H H 61 9.400 8.571 0.829 1 1 444 . 6 1 1 A 38 38 LYS HA H 61 4.450 4.114 0.336 1 1 453 . 6 1 1 A 38 38 LYS C C 61 176.000 175.873 0.127 1 1 454 . 6 1 1 A 38 38 LYS CA C 61 56.900 58.397 -1.497 1 1 455 . 6 1 1 A 38 38 LYS CB C 61 34.200 33.206 0.994 1 1 459 . 6 1 1 A 38 38 LYS N N 61 131.900 129.878 2.022 1 1 460 . 6 1 1 A 39 39 ARG H H 62 7.990 7.140 0.850 1 1 461 . 6 1 1 A 39 39 ARG HA H 62 4.700 4.717 -0.017 1 1 469 . 6 1 1 A 39 39 ARG C C 62 173.600 175.047 -1.447 1 1 470 . 6 1 1 A 39 39 ARG CA C 62 55.100 54.733 0.367 1 1 471 . 6 1 1 A 39 39 ARG CB C 62 34.100 34.754 -0.654 1 1 474 . 6 1 1 A 39 39 ARG N N 62 117.300 117.412 -0.112 1 1 476 . 6 1 1 A 40 40 GLY H H 63 8.480 8.338 0.142 1 1 477 . 6 1 1 A 40 40 GLY HA2 H 63 4.290 4.109 0.181 1 1 478 . 6 1 1 A 40 40 GLY HA3 H 63 3.580 4.267 -0.687 1 1 479 . 6 1 1 A 40 40 GLY CA C 63 43.800 44.742 -0.942 1 1 480 . 6 1 1 A 40 40 GLY N N 63 110.800 109.107 1.693 1 1 481 . 6 1 1 A 41 41 PRO HA H 64 4.300 4.410 -0.110 1 1 488 . 6 1 1 A 41 41 PRO C C 64 175.900 177.550 -1.650 1 1 489 . 6 1 1 A 41 41 PRO CA C 64 64.400 65.036 -0.636 1 1 490 . 6 1 1 A 41 41 PRO CB C 64 31.500 31.914 -0.414 1 1 493 . 6 1 1 A 42 42 ASN H H 65 8.310 8.690 -0.380 1 1 494 . 6 1 1 A 42 42 ASN HA H 65 4.770 4.981 -0.211 1 1 499 . 6 1 1 A 42 42 ASN C C 65 177.500 175.371 2.129 1 1 500 . 6 1 1 A 42 42 ASN CA C 65 52.100 51.978 0.122 1 1 501 . 6 1 1 A 42 42 ASN CB C 65 36.700 37.703 -1.003 1 1 503 . 6 1 1 A 42 42 ASN N N 65 114.500 113.543 0.957 1 1 505 . 6 1 1 A 43 43 ALA H H 66 7.470 7.258 0.212 1 1 506 . 6 1 1 A 43 43 ALA HA H 66 3.690 4.102 -0.412 1 1 510 . 6 1 1 A 43 43 ALA C C 66 177.800 178.049 -0.249 1 1 511 . 6 1 1 A 43 43 ALA CA C 66 54.200 53.660 0.540 1 1 512 . 6 1 1 A 43 43 ALA CB C 66 17.700 18.407 -0.707 1 1 513 . 6 1 1 A 43 43 ALA N N 66 122.100 123.527 -1.427 1 1 514 . 6 1 1 A 44 44 GLY H H 67 9.120 8.323 0.797 1 1 515 . 6 1 1 A 44 44 GLY HA2 H 67 4.440 3.985 0.455 1 1 516 . 6 1 1 A 44 44 GLY HA3 H 67 3.490 3.987 -0.497 1 1 517 . 6 1 1 A 44 44 GLY C C 67 174.900 174.513 0.387 1 1 518 . 6 1 1 A 44 44 GLY CA C 67 44.600 45.332 -0.732 1 1 519 . 6 1 1 A 44 44 GLY N N 67 111.800 111.467 0.333 1 1 520 . 6 1 1 A 45 45 SER H H 68 8.090 7.868 0.222 1 1 521 . 6 1 1 A 45 45 SER HA H 68 4.280 4.295 -0.015 1 1 524 . 6 1 1 A 45 45 SER C C 68 171.500 173.702 -2.202 1 1 525 . 6 1 1 A 45 45 SER CA C 68 60.500 58.244 2.256 1 1 526 . 6 1 1 A 45 45 SER CB C 68 63.800 63.569 0.231 1 1 527 . 6 1 1 A 45 45 SER N N 68 117.400 117.307 0.093 1 1 528 . 6 1 1 A 46 46 ARG H H 69 8.120 8.646 -0.526 1 1 529 . 6 1 1 A 46 46 ARG HA H 69 5.140 5.178 -0.038 1 1 537 . 6 1 1 A 46 46 ARG C C 69 174.600 173.924 0.676 1 1 538 . 6 1 1 A 46 46 ARG CA C 69 54.200 53.726 0.474 1 1 539 . 6 1 1 A 46 46 ARG CB C 69 33.900 34.054 -0.154 1 1 542 . 6 1 1 A 46 46 ARG N N 69 119.800 121.886 -2.086 1 1 544 . 6 1 1 A 47 47 PHE H H 70 9.180 8.463 0.717 1 1 545 . 6 1 1 A 47 47 PHE HA H 70 4.720 4.927 -0.207 1 1 553 . 6 1 1 A 47 47 PHE C C 70 173.900 174.197 -0.297 1 1 554 . 6 1 1 A 47 47 PHE CA C 70 56.400 56.697 -0.297 1 1 555 . 6 1 1 A 47 47 PHE CB C 70 41.500 43.029 -1.529 1 1 561 . 6 1 1 A 47 47 PHE N N 70 120.800 117.792 3.008 1 1 562 . 6 1 1 A 48 48 LEU H H 71 8.720 8.991 -0.271 1 1 563 . 6 1 1 A 48 48 LEU HA H 71 4.450 4.925 -0.475 1 1 573 . 6 1 1 A 48 48 LEU C C 71 176.300 174.886 1.414 1 1 574 . 6 1 1 A 48 48 LEU CA C 71 54.900 53.806 1.094 1 1 575 . 6 1 1 A 48 48 LEU CB C 71 43.200 44.484 -1.284 1 1 579 . 6 1 1 A 48 48 LEU N N 71 125.300 124.229 1.071 1 1 580 . 6 1 1 A 49 49 LEU H H 72 8.730 8.890 -0.160 1 1 581 . 6 1 1 A 49 49 LEU HA H 72 4.770 4.567 0.203 1 1 591 . 6 1 1 A 49 49 LEU C C 72 174.800 176.342 -1.542 1 1 592 . 6 1 1 A 49 49 LEU CA C 72 53.200 54.184 -0.984 1 1 593 . 6 1 1 A 49 49 LEU CB C 72 40.900 40.158 0.742 1 1 597 . 6 1 1 A 49 49 LEU N N 72 126.900 128.707 -1.807 1 1 598 . 6 1 1 A 50 50 ASP H H 73 8.350 8.602 -0.252 1 1 599 . 6 1 1 A 50 50 ASP HA H 73 4.790 4.872 -0.082 1 1 602 . 6 1 1 A 50 50 ASP C C 73 175.600 175.565 0.035 1 1 603 . 6 1 1 A 50 50 ASP CA C 73 53.000 53.406 -0.406 1 1 604 . 6 1 1 A 50 50 ASP CB C 73 41.400 41.241 0.159 1 1 605 . 6 1 1 A 50 50 ASP N N 73 120.400 126.010 -5.610 1 1 606 . 6 1 1 A 51 51 GLN H H 74 7.670 7.413 0.257 1 1 607 . 6 1 1 A 51 51 GLN HA H 74 4.660 4.754 -0.094 1 1 614 . 6 1 1 A 51 51 GLN C C 74 175.400 175.946 -0.546 1 1 615 . 6 1 1 A 51 51 GLN CA C 74 53.700 54.320 -0.620 1 1 616 . 6 1 1 A 51 51 GLN CB C 74 31.300 31.439 -0.139 1 1 619 . 6 1 1 A 51 51 GLN N N 74 116.200 118.949 -2.749 1 1 621 . 6 1 1 A 52 52 ALA H H 75 8.720 8.767 -0.047 1 1 622 . 6 1 1 A 52 52 ALA HA H 75 4.170 4.238 -0.068 1 1 626 . 6 1 1 A 52 52 ALA C C 75 178.300 178.014 0.286 1 1 627 . 6 1 1 A 52 52 ALA CA C 75 55.700 54.930 0.770 1 1 628 . 6 1 1 A 52 52 ALA CB C 75 18.500 19.039 -0.539 1 1 629 . 6 1 1 A 52 52 ALA N N 75 123.200 124.061 -0.861 1 1 630 . 6 1 1 A 53 53 ILE H H 76 8.030 8.121 -0.091 1 1 631 . 6 1 1 A 53 53 ILE HA H 76 4.650 4.664 -0.014 1 1 641 . 6 1 1 A 53 53 ILE C C 76 175.100 174.814 0.286 1 1 642 . 6 1 1 A 53 53 ILE CA C 76 61.100 60.688 0.412 1 1 643 . 6 1 1 A 53 53 ILE CB C 76 40.500 38.954 1.546 1 1 647 . 6 1 1 A 53 53 ILE N N 76 115.400 117.806 -2.406 1 1 648 . 6 1 1 A 54 54 THR H H 77 8.840 9.051 -0.211 1 1 649 . 6 1 1 A 54 54 THR HA H 77 4.940 5.073 -0.133 1 1 654 . 6 1 1 A 54 54 THR C C 77 174.600 173.447 1.153 1 1 655 . 6 1 1 A 54 54 THR CA C 77 61.400 61.643 -0.243 1 1 656 . 6 1 1 A 54 54 THR CB C 77 70.300 70.931 -0.631 1 1 658 . 6 1 1 A 54 54 THR N N 77 125.300 124.734 0.566 1 1 659 . 6 1 1 A 55 55 SER H H 78 10.690 9.011 1.679 1 1 660 . 6 1 1 A 55 55 SER HA H 78 4.720 4.709 0.011 1 1 663 . 6 1 1 A 55 55 SER C C 78 172.600 174.049 -1.449 1 1 664 . 6 1 1 A 55 55 SER CA C 78 57.800 57.777 0.023 1 1 665 . 6 1 1 A 55 55 SER CB C 78 65.200 64.560 0.640 1 1 666 . 6 1 1 A 55 55 SER N N 78 126.300 121.983 4.317 1 1 667 . 6 1 1 A 56 56 ALA H H 79 8.840 8.198 0.642 1 1 668 . 6 1 1 A 56 56 ALA HA H 79 5.720 5.041 0.679 1 1 672 . 6 1 1 A 56 56 ALA C C 79 175.800 176.854 -1.054 1 1 673 . 6 1 1 A 56 56 ALA CA C 79 49.800 50.617 -0.817 1 1 674 . 6 1 1 A 56 56 ALA CB C 79 21.900 22.514 -0.614 1 1 675 . 6 1 1 A 56 56 ALA N N 79 123.200 124.490 -1.290 1 1 676 . 6 1 1 A 57 57 GLY H H 80 8.410 8.198 0.212 1 1 677 . 6 1 1 A 57 57 GLY HA2 H 80 4.400 3.892 0.508 1 1 678 . 6 1 1 A 57 57 GLY HA3 H 80 3.970 3.979 -0.009 1 1 679 . 6 1 1 A 57 57 GLY C C 80 174.800 172.873 1.927 1 1 680 . 6 1 1 A 57 57 GLY CA C 80 46.300 44.809 1.491 1 1 681 . 6 1 1 A 57 57 GLY N N 80 108.700 106.767 1.933 1 1 682 . 6 1 1 A 58 58 ARG H H 81 8.330 8.186 0.144 1 1 683 . 6 1 1 A 58 58 ARG HA H 81 4.440 4.752 -0.312 1 1 690 . 6 1 1 A 58 58 ARG C C 81 176.400 175.593 0.807 1 1 691 . 6 1 1 A 58 58 ARG CA C 81 54.700 55.190 -0.490 1 1 692 . 6 1 1 A 58 58 ARG CB C 81 32.300 31.997 0.303 1 1 695 . 6 1 1 A 58 58 ARG N N 81 120.400 123.078 -2.678 1 1 696 . 6 1 1 A 59 59 HIS H H 82 9.040 8.974 0.066 1 1 697 . 6 1 1 A 59 59 HIS HA H 82 4.280 4.947 -0.667 1 1 702 . 6 1 1 A 59 59 HIS CA C 82 56.800 53.799 3.001 1 1 703 . 6 1 1 A 59 59 HIS CB C 82 30.900 33.658 -2.758 1 1 705 . 6 1 1 A 59 59 HIS N N 82 124.300 120.669 3.631 1 1 708 . 6 1 1 A 60 60 PRO HA H 83 3.640 4.475 -0.835 1 1 715 . 6 1 1 A 60 60 PRO C C 83 177.000 177.371 -0.371 1 1 716 . 6 1 1 A 60 60 PRO CA C 83 64.800 64.438 0.362 1 1 717 . 6 1 1 A 60 60 PRO CB C 83 31.700 31.838 -0.138 1 1 720 . 6 1 1 A 61 61 ASP H H 84 11.140 8.384 2.756 1 1 721 . 6 1 1 A 61 61 ASP HA H 84 4.700 4.771 -0.071 1 1 724 . 6 1 1 A 61 61 ASP C C 84 177.400 176.163 1.237 1 1 725 . 6 1 1 A 61 61 ASP CA C 84 53.900 55.814 -1.914 1 1 726 . 6 1 1 A 61 61 ASP CB C 84 40.500 41.608 -1.108 1 1 727 . 6 1 1 A 61 61 ASP N N 84 121.600 117.079 4.521 1 1 728 . 6 1 1 A 62 62 SER H H 85 8.190 7.699 0.491 1 1 729 . 6 1 1 A 62 62 SER HA H 85 4.030 4.423 -0.393 1 1 733 . 6 1 1 A 62 62 SER C C 85 173.400 174.864 -1.464 1 1 734 . 6 1 1 A 62 62 SER CA C 85 60.400 58.144 2.256 1 1 735 . 6 1 1 A 62 62 SER CB C 85 65.200 64.337 0.863 1 1 736 . 6 1 1 A 62 62 SER N N 85 118.100 115.436 2.664 1 1 737 . 6 1 1 A 63 63 ASP H H 86 8.270 8.842 -0.572 1 1 738 . 6 1 1 A 63 63 ASP HA H 86 4.390 4.477 -0.087 1 1 741 . 6 1 1 A 63 63 ASP C C 86 177.200 177.268 -0.068 1 1 742 . 6 1 1 A 63 63 ASP CA C 86 58.300 57.659 0.641 1 1 743 . 6 1 1 A 63 63 ASP CB C 86 42.100 41.272 0.828 1 1 744 . 6 1 1 A 63 63 ASP N N 86 125.600 125.393 0.207 1 1 745 . 6 1 1 A 64 64 ILE H H 87 8.470 7.752 0.718 1 1 746 . 6 1 1 A 64 64 ILE HA H 87 3.560 3.622 -0.062 1 1 756 . 6 1 1 A 64 64 ILE C C 87 172.900 175.240 -2.340 1 1 757 . 6 1 1 A 64 64 ILE CA C 87 60.500 61.292 -0.792 1 1 758 . 6 1 1 A 64 64 ILE CB C 87 37.400 38.224 -0.824 1 1 762 . 6 1 1 A 64 64 ILE N N 87 119.500 119.409 0.091 1 1 763 . 6 1 1 A 65 65 PHE H H 88 8.100 8.612 -0.512 1 1 764 . 6 1 1 A 65 65 PHE HA H 88 5.010 5.093 -0.083 1 1 772 . 6 1 1 A 65 65 PHE C C 88 174.000 173.694 0.306 1 1 773 . 6 1 1 A 65 65 PHE CA C 88 55.600 56.078 -0.478 1 1 774 . 6 1 1 A 65 65 PHE CB C 88 38.800 40.264 -1.464 1 1 779 . 6 1 1 A 65 65 PHE N N 88 127.100 128.069 -0.969 1 1 780 . 6 1 1 A 66 66 LEU H H 89 7.710 7.983 -0.273 1 1 781 . 6 1 1 A 66 66 LEU HA H 89 3.620 4.655 -1.035 1 1 791 . 6 1 1 A 66 66 LEU C C 89 173.500 175.101 -1.601 1 1 792 . 6 1 1 A 66 66 LEU CA C 89 52.100 53.160 -1.060 1 1 793 . 6 1 1 A 66 66 LEU CB C 89 41.300 42.043 -0.743 1 1 797 . 6 1 1 A 66 66 LEU N N 89 131.900 128.710 3.190 1 1 798 . 6 1 1 A 67 67 ASP H H 90 7.980 8.307 -0.327 1 1 799 . 6 1 1 A 67 67 ASP HA H 90 4.260 4.395 -0.135 1 1 802 . 6 1 1 A 67 67 ASP C C 90 174.800 175.696 -0.896 1 1 803 . 6 1 1 A 67 67 ASP CA C 90 53.100 54.818 -1.718 1 1 804 . 6 1 1 A 67 67 ASP CB C 90 39.900 41.492 -1.592 1 1 805 . 6 1 1 A 67 67 ASP N N 90 120.000 125.206 -5.206 1 1 806 . 6 1 1 A 68 68 ASP H H 91 7.480 8.013 -0.533 1 1 807 . 6 1 1 A 68 68 ASP HA H 91 4.850 4.592 0.258 1 1 810 . 6 1 1 A 68 68 ASP C C 91 175.600 175.294 0.306 1 1 811 . 6 1 1 A 68 68 ASP CA C 91 54.900 54.580 0.320 1 1 812 . 6 1 1 A 68 68 ASP CB C 91 48.500 40.826 7.674 1 1 813 . 6 1 1 A 68 68 ASP N N 91 121.400 119.295 2.105 1 1 814 . 6 1 1 A 69 69 VAL H H 92 8.370 8.287 0.083 1 1 815 . 6 1 1 A 69 69 VAL HA H 92 4.060 4.238 -0.178 1 1 823 . 6 1 1 A 69 69 VAL C C 92 175.900 176.001 -0.101 1 1 824 . 6 1 1 A 69 69 VAL CA C 92 64.800 61.696 3.104 1 1 825 . 6 1 1 A 69 69 VAL CB C 92 31.700 33.230 -1.530 1 1 828 . 6 1 1 A 69 69 VAL N N 92 121.900 117.499 4.401 1 1 829 . 6 1 1 A 70 70 THR H H 93 8.360 8.720 -0.360 1 1 830 . 6 1 1 A 70 70 THR HA H 93 4.060 4.284 -0.224 1 1 836 . 6 1 1 A 70 70 THR C C 93 175.100 173.734 1.366 1 1 837 . 6 1 1 A 70 70 THR CA C 93 63.700 63.623 0.077 1 1 838 . 6 1 1 A 70 70 THR CB C 93 70.300 68.638 1.662 1 1 840 . 6 1 1 A 70 70 THR N N 93 111.100 117.366 -6.266 1 1 841 . 6 1 1 A 71 71 VAL H H 94 8.240 8.580 -0.340 1 1 842 . 6 1 1 A 71 71 VAL HA H 94 4.520 3.451 1.069 1 1 850 . 6 1 1 A 71 71 VAL C C 94 176.800 174.860 1.940 1 1 851 . 6 1 1 A 71 71 VAL CA C 94 61.200 62.398 -1.198 1 1 852 . 6 1 1 A 71 71 VAL CB C 94 33.500 30.348 3.152 1 1 855 . 6 1 1 A 71 71 VAL N N 94 125.500 120.527 4.973 1 1 856 . 6 1 1 A 72 72 SER H H 95 11.410 8.068 3.342 1 1 857 . 6 1 1 A 72 72 SER HA H 95 4.670 4.540 0.130 1 1 860 . 6 1 1 A 72 72 SER C C 95 174.500 175.249 -0.749 1 1 861 . 6 1 1 A 72 72 SER CA C 95 60.600 58.168 2.432 1 1 862 . 6 1 1 A 72 72 SER CB C 95 64.200 64.186 0.014 1 1 863 . 6 1 1 A 72 72 SER N N 95 126.800 119.560 7.240 1 1 864 . 6 1 1 A 73 73 ARG H H 96 9.260 8.820 0.440 1 1 865 . 6 1 1 A 73 73 ARG HA H 96 3.770 4.007 -0.237 1 1 873 . 6 1 1 A 73 73 ARG C C 96 176.600 176.567 0.033 1 1 874 . 6 1 1 A 73 73 ARG CA C 96 61.300 59.425 1.875 1 1 875 . 6 1 1 A 73 73 ARG CB C 96 29.800 30.006 -0.206 1 1 878 . 6 1 1 A 73 73 ARG N N 96 124.600 125.611 -1.011 1 1 880 . 6 1 1 A 74 74 ARG H H 97 7.800 7.813 -0.013 1 1 881 . 6 1 1 A 74 74 ARG HA H 97 4.440 4.669 -0.229 1 1 889 . 6 1 1 A 74 74 ARG C C 97 173.100 176.395 -3.295 1 1 890 . 6 1 1 A 74 74 ARG CA C 97 54.800 54.812 -0.012 1 1 891 . 6 1 1 A 74 74 ARG CB C 97 29.300 30.139 -0.839 1 1 894 . 6 1 1 A 74 74 ARG N N 97 114.800 117.531 -2.731 1 1 896 . 6 1 1 A 75 75 HIS H H 98 7.840 8.543 -0.703 1 1 897 . 6 1 1 A 75 75 HIS HA H 98 4.430 4.437 -0.007 1 1 903 . 6 1 1 A 75 75 HIS C C 98 173.800 174.842 -1.042 1 1 904 . 6 1 1 A 75 75 HIS CA C 98 57.800 58.407 -0.607 1 1 905 . 6 1 1 A 75 75 HIS CB C 98 35.000 31.298 3.702 1 1 908 . 6 1 1 A 75 75 HIS N N 98 124.400 121.314 3.086 1 1 910 . 6 1 1 A 76 76 ALA H H 99 8.490 7.673 0.817 1 1 911 . 6 1 1 A 76 76 ALA HA H 99 5.580 4.524 1.056 1 1 915 . 6 1 1 A 76 76 ALA C C 99 176.500 174.857 1.643 1 1 916 . 6 1 1 A 76 76 ALA CA C 99 50.300 51.315 -1.015 1 1 917 . 6 1 1 A 76 76 ALA CB C 99 23.200 22.624 0.576 1 1 918 . 6 1 1 A 76 76 ALA N N 99 116.600 118.368 -1.768 1 1 919 . 6 1 1 A 77 77 GLU H H 100 9.030 8.416 0.614 1 1 920 . 6 1 1 A 77 77 GLU HA H 100 5.030 4.757 0.273 1 1 925 . 6 1 1 A 77 77 GLU C C 100 174.100 174.501 -0.401 1 1 926 . 6 1 1 A 77 77 GLU CA C 100 54.500 55.094 -0.594 1 1 927 . 6 1 1 A 77 77 GLU CB C 100 34.900 33.174 1.726 1 1 929 . 6 1 1 A 77 77 GLU N N 100 118.100 121.186 -3.086 1 1 930 . 6 1 1 A 78 78 PHE H H 101 9.400 9.013 0.387 1 1 931 . 6 1 1 A 78 78 PHE HA H 101 5.400 5.236 0.164 1 1 939 . 6 1 1 A 78 78 PHE C C 101 176.500 174.869 1.631 1 1 940 . 6 1 1 A 78 78 PHE CA C 101 56.700 57.067 -0.367 1 1 941 . 6 1 1 A 78 78 PHE CB C 101 41.000 41.970 -0.970 1 1 946 . 6 1 1 A 78 78 PHE N N 101 119.600 125.865 -6.265 1 1 947 . 6 1 1 A 79 79 ARG H H 102 9.720 8.893 0.827 1 1 948 . 6 1 1 A 79 79 ARG HA H 102 5.490 5.069 0.421 1 1 956 . 6 1 1 A 79 79 ARG C C 102 174.300 174.222 0.078 1 1 957 . 6 1 1 A 79 79 ARG CA C 102 54.800 54.464 0.336 1 1 958 . 6 1 1 A 79 79 ARG CB C 102 33.100 33.961 -0.861 1 1 961 . 6 1 1 A 79 79 ARG N N 102 126.100 122.005 4.095 1 1 963 . 6 1 1 A 80 80 LEU H H 103 9.020 8.378 0.642 1 1 964 . 6 1 1 A 80 80 LEU HA H 103 4.400 4.831 -0.431 1 1 974 . 6 1 1 A 80 80 LEU C C 103 176.100 175.435 0.665 1 1 975 . 6 1 1 A 80 80 LEU CA C 103 54.100 54.321 -0.221 1 1 976 . 6 1 1 A 80 80 LEU CB C 103 42.600 43.812 -1.212 1 1 980 . 6 1 1 A 80 80 LEU N N 103 128.000 128.306 -0.306 1 1 981 . 6 1 1 A 81 81 GLU H H 104 8.860 8.535 0.325 1 1 982 . 6 1 1 A 81 81 GLU HA H 104 4.430 4.623 -0.193 1 1 987 . 6 1 1 A 81 81 GLU C C 104 175.800 175.847 -0.047 1 1 988 . 6 1 1 A 81 81 GLU CA C 104 55.500 55.791 -0.291 1 1 989 . 6 1 1 A 81 81 GLU CB C 104 32.600 32.154 0.446 1 1 991 . 6 1 1 A 81 81 GLU N N 104 128.600 126.259 2.341 1 1 992 . 6 1 1 A 82 82 ASN H H 105 9.410 8.953 0.457 1 1 993 . 6 1 1 A 82 82 ASN HA H 105 4.200 4.332 -0.132 1 1 998 . 6 1 1 A 82 82 ASN C C 105 174.300 175.121 -0.821 1 1 999 . 6 1 1 A 82 82 ASN CA C 105 54.700 55.490 -0.790 1 1 1000 . 6 1 1 A 82 82 ASN CB C 105 37.200 37.125 0.075 1 1 1002 . 6 1 1 A 82 82 ASN N N 105 124.600 122.431 2.169 1 1 1004 . 6 1 1 A 83 83 ASN H H 106 8.640 8.472 0.168 1 1 1005 . 6 1 1 A 83 83 ASN HA H 106 4.010 4.866 -0.856 1 1 1010 . 6 1 1 A 83 83 ASN C C 106 173.100 173.857 -0.757 1 1 1011 . 6 1 1 A 83 83 ASN CA C 106 54.900 52.219 2.681 1 1 1012 . 6 1 1 A 83 83 ASN CB C 106 38.100 39.976 -1.876 1 1 1014 . 6 1 1 A 83 83 ASN N N 106 108.900 118.098 -9.198 1 1 1016 . 6 1 1 A 84 84 GLU H H 107 7.660 7.957 -0.297 1 1 1017 . 6 1 1 A 84 84 GLU HA H 107 4.660 4.868 -0.208 1 1 1022 . 6 1 1 A 84 84 GLU C C 107 174.300 175.659 -1.359 1 1 1023 . 6 1 1 A 84 84 GLU CA C 107 54.700 54.513 0.187 1 1 1024 . 6 1 1 A 84 84 GLU CB C 107 32.900 33.182 -0.282 1 1 1026 . 6 1 1 A 84 84 GLU N N 107 118.300 119.129 -0.829 1 1 1027 . 6 1 1 A 85 85 PHE H H 108 9.690 8.941 0.749 1 1 1028 . 6 1 1 A 85 85 PHE HA H 108 5.000 4.725 0.275 1 1 1035 . 6 1 1 A 85 85 PHE C C 108 174.500 176.112 -1.612 1 1 1036 . 6 1 1 A 85 85 PHE CA C 108 58.600 58.784 -0.184 1 1 1037 . 6 1 1 A 85 85 PHE CB C 108 41.800 39.938 1.862 1 1 1042 . 6 1 1 A 85 85 PHE N N 108 121.100 121.623 -0.523 1 1 1043 . 6 1 1 A 86 86 ASN H H 109 9.180 8.843 0.337 1 1 1044 . 6 1 1 A 86 86 ASN HA H 109 5.580 5.399 0.181 1 1 1049 . 6 1 1 A 86 86 ASN C C 109 175.000 173.887 1.113 1 1 1050 . 6 1 1 A 86 86 ASN CA C 109 51.200 52.003 -0.803 1 1 1051 . 6 1 1 A 86 86 ASN CB C 109 42.100 42.262 -0.162 1 1 1053 . 6 1 1 A 86 86 ASN N N 109 119.400 119.315 0.085 1 1 1055 . 6 1 1 A 87 87 VAL H H 110 9.060 8.754 0.306 1 1 1056 . 6 1 1 A 87 87 VAL HA H 110 4.940 5.001 -0.061 1 1 1064 . 6 1 1 A 87 87 VAL C C 110 171.700 173.597 -1.897 1 1 1065 . 6 1 1 A 87 87 VAL CA C 110 58.400 59.722 -1.322 1 1 1066 . 6 1 1 A 87 87 VAL CB C 110 33.800 35.155 -1.355 1 1 1069 . 6 1 1 A 87 87 VAL N N 110 121.300 120.070 1.230 1 1 1070 . 6 1 1 A 88 88 VAL H H 111 8.640 8.722 -0.082 1 1 1071 . 6 1 1 A 88 88 VAL HA H 111 4.590 4.607 -0.017 1 1 1079 . 6 1 1 A 88 88 VAL C C 111 175.700 174.425 1.275 1 1 1080 . 6 1 1 A 88 88 VAL CA C 111 60.100 60.562 -0.462 1 1 1081 . 6 1 1 A 88 88 VAL CB C 111 36.200 34.995 1.205 1 1 1084 . 6 1 1 A 88 88 VAL N N 111 125.500 128.214 -2.714 1 1 1085 . 6 1 1 A 89 89 ASP H H 112 8.480 8.184 0.296 1 1 1086 . 6 1 1 A 89 89 ASP HA H 112 4.870 4.688 0.182 1 1 1089 . 6 1 1 A 89 89 ASP C C 112 177.200 174.588 2.612 1 1 1090 . 6 1 1 A 89 89 ASP CA C 112 54.700 53.237 1.463 1 1 1091 . 6 1 1 A 89 89 ASP CB C 112 43.600 41.051 2.549 1 1 1092 . 6 1 1 A 89 89 ASP N N 112 126.600 127.453 -0.853 1 1 1093 . 6 1 1 A 90 90 VAL H H 113 7.980 8.163 -0.183 1 1 1094 . 6 1 1 A 90 90 VAL HA H 113 4.540 4.482 0.058 1 1 1102 . 6 1 1 A 90 90 VAL C C 113 174.400 176.186 -1.786 1 1 1103 . 6 1 1 A 90 90 VAL CA C 113 60.300 61.077 -0.777 1 1 1104 . 6 1 1 A 90 90 VAL CB C 113 29.500 31.306 -1.806 1 1 1107 . 6 1 1 A 90 90 VAL N N 113 119.700 127.333 -7.633 1 1 1108 . 6 1 1 A 91 91 GLY H H 114 8.600 8.206 0.394 1 1 1109 . 6 1 1 A 91 91 GLY HA2 H 114 4.260 4.062 0.198 1 1 1110 . 6 1 1 A 91 91 GLY HA3 H 114 3.720 4.117 -0.397 1 1 1111 . 6 1 1 A 91 91 GLY C C 114 175.300 171.955 3.345 1 1 1112 . 6 1 1 A 91 91 GLY CA C 114 45.700 45.406 0.294 1 1 1113 . 6 1 1 A 91 91 GLY N N 114 111.300 113.570 -2.270 1 1 1114 . 6 1 1 A 92 92 SER H H 115 9.190 8.351 0.839 1 1 1115 . 6 1 1 A 92 92 SER HA H 115 3.890 4.463 -0.573 1 1 1118 . 6 1 1 A 92 92 SER C C 115 174.500 174.147 0.353 1 1 1119 . 6 1 1 A 92 92 SER CA C 115 58.600 58.129 0.471 1 1 1120 . 6 1 1 A 92 92 SER CB C 115 61.300 63.531 -2.231 1 1 1121 . 6 1 1 A 92 92 SER N N 115 121.000 115.430 5.570 1 1 1122 . 6 1 1 A 93 93 LEU H H 116 7.720 8.609 -0.889 1 1 1123 . 6 1 1 A 93 93 LEU HA H 116 4.250 4.020 0.230 1 1 1133 . 6 1 1 A 93 93 LEU C C 116 179.100 176.352 2.748 1 1 1134 . 6 1 1 A 93 93 LEU CA C 116 57.200 56.938 0.262 1 1 1135 . 6 1 1 A 93 93 LEU CB C 116 42.100 40.697 1.403 1 1 1139 . 6 1 1 A 93 93 LEU N N 116 120.500 125.602 -5.102 1 1 1140 . 6 1 1 A 94 94 ASN H H 117 8.450 8.417 0.033 1 1 1141 . 6 1 1 A 94 94 ASN HA H 117 4.870 4.898 -0.028 1 1 1146 . 6 1 1 A 94 94 ASN C C 117 175.800 174.979 0.821 1 1 1147 . 6 1 1 A 94 94 ASN CA C 117 54.000 54.014 -0.014 1 1 1148 . 6 1 1 A 94 94 ASN CB C 117 40.100 39.425 0.675 1 1 1150 . 6 1 1 A 94 94 ASN N N 117 112.500 120.062 -7.562 1 1 1152 . 6 1 1 A 95 95 GLY H H 118 7.940 8.577 -0.637 1 1 1153 . 6 1 1 A 95 95 GLY HA2 H 118 4.190 4.007 0.183 1 1 1154 . 6 1 1 A 95 95 GLY HA3 H 118 3.610 4.071 -0.461 1 1 1155 . 6 1 1 A 95 95 GLY C C 118 174.000 174.620 -0.620 1 1 1156 . 6 1 1 A 95 95 GLY CA C 118 44.300 46.156 -1.856 1 1 1157 . 6 1 1 A 95 95 GLY N N 118 109.800 111.437 -1.637 1 1 1158 . 6 1 1 A 96 96 THR H H 119 8.940 8.634 0.306 1 1 1159 . 6 1 1 A 96 96 THR HA H 119 3.820 4.361 -0.541 1 1 1165 . 6 1 1 A 96 96 THR C C 119 172.300 173.872 -1.572 1 1 1166 . 6 1 1 A 96 96 THR CA C 119 64.100 62.922 1.178 1 1 1167 . 6 1 1 A 96 96 THR CB C 119 70.200 69.493 0.707 1 1 1169 . 6 1 1 A 96 96 THR N N 119 122.000 114.275 7.725 1 1 1170 . 6 1 1 A 97 97 TYR H H 120 8.220 8.497 -0.277 1 1 1171 . 6 1 1 A 97 97 TYR HA H 120 5.340 5.538 -0.198 1 1 1178 . 6 1 1 A 97 97 TYR C C 120 175.900 172.488 3.412 1 1 1179 . 6 1 1 A 97 97 TYR CA C 120 55.600 55.465 0.135 1 1 1180 . 6 1 1 A 97 97 TYR CB C 120 41.400 40.972 0.428 1 1 1185 . 6 1 1 A 97 97 TYR N N 120 122.800 123.005 -0.205 1 1 1186 . 6 1 1 A 98 98 VAL H H 121 9.040 8.531 0.509 1 1 1187 . 6 1 1 A 98 98 VAL HA H 121 5.010 4.719 0.291 1 1 1195 . 6 1 1 A 98 98 VAL C C 121 176.900 175.174 1.726 1 1 1196 . 6 1 1 A 98 98 VAL CA C 121 61.100 59.610 1.490 1 1 1197 . 6 1 1 A 98 98 VAL CB C 121 33.000 34.465 -1.465 1 1 1200 . 6 1 1 A 98 98 VAL N N 121 121.400 121.278 0.122 1 1 1201 . 6 1 1 A 99 99 ASN H H 122 10.100 9.579 0.521 1 1 1202 . 6 1 1 A 99 99 ASN HA H 122 4.440 4.516 -0.076 1 1 1207 . 6 1 1 A 99 99 ASN C C 122 174.500 175.435 -0.935 1 1 1208 . 6 1 1 A 99 99 ASN CA C 122 55.000 54.798 0.202 1 1 1209 . 6 1 1 A 99 99 ASN CB C 122 37.000 36.891 0.109 1 1 1211 . 6 1 1 A 99 99 ASN N N 122 129.400 128.441 0.959 1 1 1213 . 6 1 1 A 100 100 ARG H H 123 9.290 8.454 0.836 1 1 1214 . 6 1 1 A 100 100 ARG HA H 123 3.680 3.834 -0.154 1 1 1222 . 6 1 1 A 100 100 ARG C C 123 175.200 174.976 0.224 1 1 1223 . 6 1 1 A 100 100 ARG CA C 123 58.100 57.178 0.922 1 1 1224 . 6 1 1 A 100 100 ARG CB C 123 27.600 28.936 -1.336 1 1 1227 . 6 1 1 A 100 100 ARG N N 123 106.100 117.848 -11.748 1 1 1229 . 6 1 1 A 101 101 GLU H H 124 7.970 7.925 0.045 1 1 1230 . 6 1 1 A 101 101 GLU HA H 124 5.110 4.799 0.311 1 1 1235 . 6 1 1 A 101 101 GLU CA C 124 53.000 53.980 -0.980 1 1 1236 . 6 1 1 A 101 101 GLU CB C 124 30.900 30.495 0.405 1 1 1238 . 6 1 1 A 101 101 GLU N N 124 121.300 118.034 3.266 1 1 1239 . 6 1 1 A 102 102 PRO HA H 125 4.050 4.642 -0.592 1 1 1246 . 6 1 1 A 102 102 PRO C C 125 177.500 176.326 1.174 1 1 1247 . 6 1 1 A 102 102 PRO CA C 125 62.300 63.311 -1.011 1 1 1248 . 6 1 1 A 102 102 PRO CB C 125 31.300 32.283 -0.983 1 1 1251 . 6 1 1 A 103 103 VAL H H 126 8.330 8.099 0.231 1 1 1252 . 6 1 1 A 103 103 VAL HA H 126 4.700 4.676 0.024 1 1 1260 . 6 1 1 A 103 103 VAL C C 126 174.500 175.487 -0.987 1 1 1261 . 6 1 1 A 103 103 VAL CA C 126 58.900 59.670 -0.770 1 1 1262 . 6 1 1 A 103 103 VAL CB C 126 35.300 35.369 -0.069 1 1 1265 . 6 1 1 A 103 103 VAL N N 126 115.000 116.877 -1.877 1 1 1266 . 6 1 1 A 104 104 ASP H H 127 8.520 8.937 -0.417 1 1 1267 . 6 1 1 A 104 104 ASP HA H 127 4.780 4.398 0.382 1 1 1270 . 6 1 1 A 104 104 ASP C C 127 176.200 175.712 0.488 1 1 1271 . 6 1 1 A 104 104 ASP CA C 127 55.800 56.693 -0.893 1 1 1272 . 6 1 1 A 104 104 ASP CB C 127 41.100 41.385 -0.285 1 1 1273 . 6 1 1 A 104 104 ASP N N 127 120.800 122.253 -1.453 1 1 1274 . 6 1 1 A 105 105 SER H H 128 7.650 7.652 -0.002 1 1 1275 . 6 1 1 A 105 105 SER HA H 128 5.440 4.765 0.675 1 1 1278 . 6 1 1 A 105 105 SER C C 128 173.400 172.227 1.173 1 1 1279 . 6 1 1 A 105 105 SER CA C 128 56.600 57.413 -0.813 1 1 1280 . 6 1 1 A 105 105 SER CB C 128 65.000 65.023 -0.023 1 1 1281 . 6 1 1 A 105 105 SER N N 128 111.500 112.487 -0.987 1 1 1282 . 6 1 1 A 106 106 ALA H H 129 8.790 8.019 0.771 1 1 1283 . 6 1 1 A 106 106 ALA HA H 129 4.610 4.972 -0.362 1 1 1287 . 6 1 1 A 106 106 ALA C C 129 175.300 176.290 -0.990 1 1 1288 . 6 1 1 A 106 106 ALA CA C 129 52.100 51.350 0.750 1 1 1289 . 6 1 1 A 106 106 ALA CB C 129 22.600 23.341 -0.741 1 1 1290 . 6 1 1 A 106 106 ALA N N 129 125.100 124.220 0.880 1 1 1291 . 6 1 1 A 107 107 VAL H H 130 8.340 8.677 -0.337 1 1 1292 . 6 1 1 A 107 107 VAL HA H 130 4.160 4.627 -0.467 1 1 1300 . 6 1 1 A 107 107 VAL C C 130 176.300 175.970 0.330 1 1 1301 . 6 1 1 A 107 107 VAL CA C 130 62.600 61.794 0.806 1 1 1302 . 6 1 1 A 107 107 VAL CB C 130 32.000 32.447 -0.447 1 1 1305 . 6 1 1 A 107 107 VAL N N 130 122.800 119.025 3.775 1 1 1306 . 6 1 1 A 108 108 LEU H H 131 8.490 8.809 -0.319 1 1 1307 . 6 1 1 A 108 108 LEU HA H 131 4.370 4.430 -0.060 1 1 1317 . 6 1 1 A 108 108 LEU C C 131 175.200 175.917 -0.717 1 1 1318 . 6 1 1 A 108 108 LEU CA C 131 54.200 54.466 -0.266 1 1 1319 . 6 1 1 A 108 108 LEU CB C 131 43.000 41.622 1.378 1 1 1323 . 6 1 1 A 108 108 LEU N N 131 128.900 128.175 0.725 1 1 1324 . 6 1 1 A 109 109 ALA H H 132 9.130 9.277 -0.147 1 1 1325 . 6 1 1 A 109 109 ALA HA H 132 4.750 4.916 -0.166 1 1 1329 . 6 1 1 A 109 109 ALA C C 132 176.500 176.233 0.267 1 1 1330 . 6 1 1 A 109 109 ALA CA C 132 49.700 50.997 -1.297 1 1 1331 . 6 1 1 A 109 109 ALA CB C 132 22.400 23.372 -0.972 1 1 1332 . 6 1 1 A 109 109 ALA N N 132 126.000 122.552 3.448 1 1 1333 . 6 1 1 A 110 110 ASN H H 133 8.860 8.878 -0.018 1 1 1334 . 6 1 1 A 110 110 ASN HA H 133 4.430 4.364 0.066 1 1 1339 . 6 1 1 A 110 110 ASN C C 133 176.400 176.617 -0.217 1 1 1340 . 6 1 1 A 110 110 ASN CA C 133 56.400 55.317 1.083 1 1 1341 . 6 1 1 A 110 110 ASN CB C 133 39.800 38.107 1.693 1 1 1343 . 6 1 1 A 110 110 ASN N N 133 117.600 117.679 -0.079 1 1 1345 . 6 1 1 A 111 111 GLY H H 134 10.100 8.834 1.266 1 1 1346 . 6 1 1 A 111 111 GLY HA2 H 134 4.430 3.911 0.519 1 1 1347 . 6 1 1 A 111 111 GLY HA3 H 134 3.410 3.914 -0.504 1 1 1348 . 6 1 1 A 111 111 GLY C C 134 174.800 174.399 0.401 1 1 1349 . 6 1 1 A 111 111 GLY CA C 134 45.100 45.715 -0.615 1 1 1350 . 6 1 1 A 111 111 GLY N N 134 117.200 111.265 5.935 1 1 1351 . 6 1 1 A 112 112 ASP H H 135 8.640 7.984 0.656 1 1 1352 . 6 1 1 A 112 112 ASP HA H 135 4.430 4.821 -0.391 1 1 1355 . 6 1 1 A 112 112 ASP C C 135 174.700 174.816 -0.116 1 1 1356 . 6 1 1 A 112 112 ASP CA C 135 56.200 54.297 1.903 1 1 1357 . 6 1 1 A 112 112 ASP CB C 135 42.100 42.009 0.091 1 1 1358 . 6 1 1 A 112 112 ASP N N 135 122.900 120.912 1.988 1 1 1359 . 6 1 1 A 113 113 GLU H H 136 8.360 8.779 -0.419 1 1 1360 . 6 1 1 A 113 113 GLU HA H 136 5.220 5.010 0.210 1 1 1365 . 6 1 1 A 113 113 GLU C C 136 176.000 175.147 0.853 1 1 1366 . 6 1 1 A 113 113 GLU CA C 136 54.400 54.996 -0.596 1 1 1367 . 6 1 1 A 113 113 GLU CB C 136 32.900 32.765 0.135 1 1 1369 . 6 1 1 A 113 113 GLU N N 136 119.000 122.672 -3.672 1 1 1370 . 6 1 1 A 114 114 VAL H H 137 9.800 9.049 0.751 1 1 1371 . 6 1 1 A 114 114 VAL HA H 137 5.160 4.825 0.335 1 1 1379 . 6 1 1 A 114 114 VAL C C 137 174.400 174.200 0.200 1 1 1380 . 6 1 1 A 114 114 VAL CA C 137 60.400 60.896 -0.496 1 1 1381 . 6 1 1 A 114 114 VAL CB C 137 34.300 34.682 -0.382 1 1 1384 . 6 1 1 A 114 114 VAL N N 137 129.000 126.095 2.905 1 1 1385 . 6 1 1 A 115 115 GLN H H 138 9.610 8.919 0.691 1 1 1386 . 6 1 1 A 115 115 GLN HA H 138 5.430 5.097 0.333 1 1 1393 . 6 1 1 A 115 115 GLN C C 138 174.800 174.358 0.442 1 1 1394 . 6 1 1 A 115 115 GLN CA C 138 54.500 53.999 0.501 1 1 1395 . 6 1 1 A 115 115 GLN CB C 138 30.700 31.967 -1.267 1 1 1398 . 6 1 1 A 115 115 GLN N N 138 129.300 127.659 1.641 1 1 1399 . 6 1 1 A 116 116 ILE H H 139 8.400 8.616 -0.216 1 1 1400 . 6 1 1 A 116 116 ILE HA H 139 4.020 4.470 -0.450 1 1 1410 . 6 1 1 A 116 116 ILE C C 139 174.500 176.260 -1.760 1 1 1411 . 6 1 1 A 116 116 ILE CA C 139 60.600 60.069 0.531 1 1 1412 . 6 1 1 A 116 116 ILE CB C 139 40.900 40.193 0.707 1 1 1416 . 6 1 1 A 116 116 ILE N N 139 128.300 126.941 1.359 1 1 1417 . 6 1 1 A 117 117 GLY H H 140 9.650 8.600 1.050 1 1 1418 . 6 1 1 A 117 117 GLY HA2 H 140 3.820 3.686 0.134 1 1 1419 . 6 1 1 A 117 117 GLY HA3 H 140 3.630 3.709 -0.079 1 1 1420 . 6 1 1 A 117 117 GLY C C 140 175.400 174.832 0.568 1 1 1421 . 6 1 1 A 117 117 GLY CA C 140 46.500 47.191 -0.691 1 1 1422 . 6 1 1 A 117 117 GLY N N 140 116.800 115.691 1.109 1 1 1423 . 6 1 1 A 118 118 LYS H H 141 7.960 8.877 -0.917 1 1 1424 . 6 1 1 A 118 118 LYS HA H 141 4.070 4.493 -0.423 1 1 1433 . 6 1 1 A 118 118 LYS C C 141 175.600 176.797 -1.197 1 1 1434 . 6 1 1 A 118 118 LYS CA C 141 56.700 57.151 -0.451 1 1 1435 . 6 1 1 A 118 118 LYS CB C 141 32.600 34.503 -1.903 1 1 1439 . 6 1 1 A 118 118 LYS N N 141 122.400 126.478 -4.078 1 1 1440 . 6 1 1 A 119 119 PHE H H 142 8.260 7.590 0.670 1 1 1441 . 6 1 1 A 119 119 PHE HA H 142 4.540 4.589 -0.049 1 1 1449 . 6 1 1 A 119 119 PHE C C 142 174.700 176.537 -1.837 1 1 1450 . 6 1 1 A 119 119 PHE CA C 142 58.200 58.630 -0.430 1 1 1451 . 6 1 1 A 119 119 PHE CB C 142 39.900 40.222 -0.322 1 1 1456 . 6 1 1 A 119 119 PHE N N 142 119.500 117.759 1.741 1 1 1457 . 6 1 1 A 120 120 ARG H H 143 8.690 8.472 0.218 1 1 1458 . 6 1 1 A 120 120 ARG HA H 143 5.020 5.216 -0.196 1 1 1465 . 6 1 1 A 120 120 ARG C C 143 174.800 175.429 -0.629 1 1 1466 . 6 1 1 A 120 120 ARG CA C 143 55.100 54.852 0.248 1 1 1467 . 6 1 1 A 120 120 ARG CB C 143 32.800 33.362 -0.562 1 1 1470 . 6 1 1 A 120 120 ARG N N 143 121.500 121.954 -0.454 1 1 1471 . 6 1 1 A 121 121 LEU H H 144 9.760 9.168 0.592 1 1 1472 . 6 1 1 A 121 121 LEU HA H 144 5.420 5.108 0.312 1 1 1482 . 6 1 1 A 121 121 LEU C C 144 175.000 175.209 -0.209 1 1 1483 . 6 1 1 A 121 121 LEU CA C 144 53.900 53.450 0.450 1 1 1484 . 6 1 1 A 121 121 LEU CB C 144 44.900 46.210 -1.310 1 1 1488 . 6 1 1 A 121 121 LEU N N 144 126.400 124.639 1.761 1 1 1489 . 6 1 1 A 122 122 VAL H H 145 9.370 8.946 0.424 1 1 1490 . 6 1 1 A 122 122 VAL HA H 145 5.010 5.092 -0.082 1 1 1498 . 6 1 1 A 122 122 VAL C C 145 173.700 173.302 0.398 1 1 1499 . 6 1 1 A 122 122 VAL CA C 145 60.800 59.445 1.355 1 1 1500 . 6 1 1 A 122 122 VAL CB C 145 34.300 34.663 -0.363 1 1 1503 . 6 1 1 A 122 122 VAL N N 145 121.900 121.802 0.098 1 1 1504 . 6 1 1 A 123 123 PHE H H 146 8.830 9.177 -0.347 1 1 1505 . 6 1 1 A 123 123 PHE HA H 146 4.980 4.989 -0.009 1 1 1513 . 6 1 1 A 123 123 PHE C C 146 172.700 174.000 -1.300 1 1 1514 . 6 1 1 A 123 123 PHE CA C 146 57.100 56.406 0.694 1 1 1515 . 6 1 1 A 123 123 PHE CB C 146 41.100 40.524 0.576 1 1 1521 . 6 1 1 A 123 123 PHE N N 146 128.700 130.469 -1.769 1 1 1522 . 6 1 1 A 124 124 LEU H H 147 8.650 8.293 0.357 1 1 1523 . 6 1 1 A 124 124 LEU HA H 147 5.020 4.926 0.094 1 1 1533 . 6 1 1 A 124 124 LEU C C 147 175.300 175.723 -0.423 1 1 1534 . 6 1 1 A 124 124 LEU CA C 147 52.600 53.234 -0.634 1 1 1535 . 6 1 1 A 124 124 LEU CB C 147 45.600 45.617 -0.017 1 1 1539 . 6 1 1 A 124 124 LEU N N 147 128.000 128.501 -0.501 1 1 1540 . 6 1 1 A 125 125 THR H H 148 8.300 8.843 -0.543 1 1 1541 . 6 1 1 A 125 125 THR HA H 148 4.330 5.053 -0.723 1 1 1546 . 6 1 1 A 125 125 THR C C 148 173.900 173.039 0.861 1 1 1547 . 6 1 1 A 125 125 THR CA C 148 60.200 59.589 0.611 1 1 1548 . 6 1 1 A 125 125 THR CB C 148 70.300 71.921 -1.621 1 1 1550 . 6 1 1 A 125 125 THR N N 148 110.600 113.167 -2.567 1 1 1551 . 6 1 1 A 126 126 GLY H H 149 8.310 8.806 -0.496 1 1 1552 . 6 1 1 A 126 126 GLY HA2 H 149 3.840 3.912 -0.072 1 1 1553 . 6 1 1 A 126 126 GLY HA3 H 149 3.840 3.921 -0.081 1 1 1554 . 6 1 1 A 126 126 GLY CA C 149 45.200 46.511 -1.311 1 1 1555 . 6 1 1 A 126 126 GLY N N 149 109.800 108.979 0.821 1 1 1556 . 6 1 1 A 127 127 HIS H H 150 8.310 8.723 -0.413 1 1 1557 . 6 1 1 A 127 127 HIS HA H 150 4.630 4.687 -0.057 1 1 1562 . 6 1 1 A 127 127 HIS C C 150 174.800 174.881 -0.081 1 1 1563 . 6 1 1 A 127 127 HIS CA C 150 55.900 55.843 0.057 1 1 1564 . 6 1 1 A 127 127 HIS CB C 150 30.700 31.317 -0.617 1 1 1567 . 6 1 1 A 127 127 HIS N N 150 119.300 125.732 -6.432 1 1 1570 . 6 1 1 A 128 128 LYS H H 151 8.490 6.737 1.753 1 1 1571 . 6 1 1 A 128 128 LYS HA H 151 4.300 3.957 0.343 1 1 1580 . 6 1 1 A 128 128 LYS C C 151 176.200 177.010 -0.810 1 1 1581 . 6 1 1 A 128 128 LYS CA C 151 56.100 56.117 -0.017 1 1 1582 . 6 1 1 A 128 128 LYS CB C 151 33.200 33.002 0.198 1 1 1586 . 6 1 1 A 128 128 LYS N N 151 123.800 121.114 2.686 1 1 1587 . 6 1 1 A 129 129 GLN H H 152 8.640 8.685 -0.045 1 1 1588 . 6 1 1 A 129 129 GLN HA H 152 4.270 4.197 0.073 1 1 1595 . 6 1 1 A 129 129 GLN C C 152 176.500 175.216 1.284 1 1 1596 . 6 1 1 A 129 129 GLN CA C 152 56.400 57.901 -1.501 1 1 1597 . 6 1 1 A 129 129 GLN CB C 152 29.500 27.584 1.916 1 1 1600 . 6 1 1 A 129 129 GLN N N 152 122.900 117.486 5.414 1 1 1602 . 6 1 1 A 130 130 GLY H H 153 8.640 8.483 0.157 1 1 1603 . 6 1 1 A 130 130 GLY HA2 H 153 3.990 4.224 -0.234 1 1 1604 . 6 1 1 A 130 130 GLY HA3 H 153 3.910 4.244 -0.334 1 1 1605 . 6 1 1 A 130 130 GLY C C 153 174.100 174.125 -0.025 1 1 1606 . 6 1 1 A 130 130 GLY CA C 153 45.400 45.758 -0.358 1 1 1607 . 6 1 1 A 130 130 GLY N N 153 111.100 109.265 1.835 1 1 1608 . 6 1 1 A 131 131 GLU H H 154 8.220 9.028 -0.808 1 1 1609 . 6 1 1 A 131 131 GLU HA H 154 4.260 3.932 0.328 1 1 1614 . 6 1 1 A 131 131 GLU C C 154 176.100 175.333 0.767 1 1 1615 . 6 1 1 A 131 131 GLU CA C 154 56.600 58.389 -1.789 1 1 1616 . 6 1 1 A 131 131 GLU CB C 154 30.600 28.306 2.294 1 1 1618 . 6 1 1 A 131 131 GLU N N 154 120.500 120.375 0.125 1 1 1619 . 6 1 1 A 132 132 ASP H H 155 8.530 8.707 -0.177 1 1 1620 . 6 1 1 A 132 132 ASP HA H 155 4.560 4.467 0.093 1 1 1623 . 6 1 1 A 132 132 ASP C C 155 176.300 174.962 1.338 1 1 1624 . 6 1 1 A 132 132 ASP CA C 155 54.300 56.228 -1.928 1 1 1625 . 6 1 1 A 132 132 ASP CB C 155 41.000 39.579 1.421 1 1 1626 . 6 1 1 A 132 132 ASP N N 155 121.300 121.287 0.013 1 1 1627 . 6 1 1 A 133 133 LEU H H 156 8.230 8.651 -0.421 1 1 1628 . 6 1 1 A 133 133 LEU HA H 156 4.200 4.478 -0.278 1 1 1638 . 6 1 1 A 133 133 LEU C C 156 177.700 176.413 1.287 1 1 1639 . 6 1 1 A 133 133 LEU CA C 156 55.500 54.403 1.097 1 1 1640 . 6 1 1 A 133 133 LEU CB C 156 42.100 42.332 -0.232 1 1 1644 . 6 1 1 A 133 133 LEU N N 156 122.500 123.021 -0.521 1 1 1645 . 6 1 1 A 134 134 GLU H H 157 8.270 9.078 -0.808 1 1 1646 . 6 1 1 A 134 134 GLU HA H 157 4.100 4.694 -0.594 1 1 1651 . 6 1 1 A 134 134 GLU C C 157 177.300 176.468 0.832 1 1 1652 . 6 1 1 A 134 134 GLU CA C 157 56.900 57.142 -0.242 1 1 1653 . 6 1 1 A 134 134 GLU CB C 157 30.000 32.645 -2.645 1 1 1655 . 6 1 1 A 134 134 GLU N N 157 119.800 124.092 -4.292 1 1 1656 . 6 1 1 A 135 135 HIS H H 158 8.150 7.763 0.387 1 1 1657 . 6 1 1 A 135 135 HIS HA H 158 4.530 5.133 -0.603 1 1 1662 . 6 1 1 A 135 135 HIS CA C 158 56.100 54.959 1.141 1 1 1663 . 6 1 1 A 135 135 HIS CB C 158 30.000 31.649 -1.649 1 1 1664 . 6 1 1 A 135 135 HIS N N 158 118.500 115.422 3.078 1 1 1665 . 6 1 1 A 139 139 HIS HA H 162 4.590 4.745 -0.155 1 1 1668 . 6 1 1 A 139 139 HIS C C 162 173.900 175.685 -1.785 1 1 1669 . 6 1 1 A 139 139 HIS CA C 162 55.900 56.638 -0.738 1 1 1670 . 6 1 1 A 139 139 HIS CB C 162 30.100 30.926 -0.826 1 1 15 . 7 1 1 A 2 2 PHE H H 25 8.640 8.833 -0.193 1 1 16 . 7 1 1 A 2 2 PHE HA H 25 4.630 4.681 -0.051 1 1 24 . 7 1 1 A 2 2 PHE C C 25 175.000 174.224 0.776 1 1 25 . 7 1 1 A 2 2 PHE CA C 25 58.000 56.758 1.242 1 1 26 . 7 1 1 A 2 2 PHE CB C 25 39.700 41.243 -1.543 1 1 31 . 7 1 1 A 3 3 ARG H H 26 8.210 7.611 0.599 1 1 32 . 7 1 1 A 3 3 ARG HA H 26 4.200 3.764 0.436 1 1 40 . 7 1 1 A 3 3 ARG C C 26 175.100 175.877 -0.777 1 1 41 . 7 1 1 A 3 3 ARG CA C 26 55.600 58.029 -2.429 1 1 42 . 7 1 1 A 3 3 ARG CB C 26 31.300 28.957 2.343 1 1 45 . 7 1 1 A 3 3 ARG N N 26 125.000 120.531 4.469 1 1 47 . 7 1 1 A 4 4 ALA H H 27 8.260 8.088 0.172 1 1 48 . 7 1 1 A 4 4 ALA HA H 27 4.090 4.247 -0.157 1 1 52 . 7 1 1 A 4 4 ALA C C 27 177.300 178.066 -0.766 1 1 53 . 7 1 1 A 4 4 ALA CA C 27 52.800 52.060 0.740 1 1 54 . 7 1 1 A 4 4 ALA CB C 27 19.200 18.938 0.262 1 1 55 . 7 1 1 A 4 4 ALA N N 27 125.400 123.428 1.972 1 1 56 . 7 1 1 A 5 5 ASP H H 28 8.260 8.797 -0.537 1 1 57 . 7 1 1 A 5 5 ASP HA H 28 4.470 4.395 0.075 1 1 60 . 7 1 1 A 5 5 ASP C C 28 176.200 175.937 0.263 1 1 61 . 7 1 1 A 5 5 ASP CA C 28 54.500 55.549 -1.049 1 1 62 . 7 1 1 A 5 5 ASP CB C 28 40.700 40.943 -0.243 1 1 63 . 7 1 1 A 5 5 ASP N N 28 118.200 120.843 -2.643 1 1 64 . 7 1 1 A 6 6 PHE H H 29 7.930 7.250 0.680 1 1 65 . 7 1 1 A 6 6 PHE HA H 29 4.510 4.816 -0.306 1 1 73 . 7 1 1 A 6 6 PHE C C 29 175.700 173.896 1.804 1 1 74 . 7 1 1 A 6 6 PHE CA C 29 58.000 55.883 2.117 1 1 75 . 7 1 1 A 6 6 PHE CB C 29 39.300 41.293 -1.993 1 1 81 . 7 1 1 A 6 6 PHE N N 29 119.400 114.549 4.851 1 1 82 . 7 1 1 A 7 7 LEU H H 30 8.000 8.972 -0.972 1 1 83 . 7 1 1 A 7 7 LEU HA H 30 4.210 4.182 0.028 1 1 93 . 7 1 1 A 7 7 LEU C C 30 177.400 176.866 0.534 1 1 94 . 7 1 1 A 7 7 LEU CA C 30 55.400 54.748 0.652 1 1 95 . 7 1 1 A 7 7 LEU CB C 30 42.200 40.940 1.260 1 1 99 . 7 1 1 A 7 7 LEU N N 30 122.100 121.223 0.877 1 1 100 . 7 1 1 A 8 8 SER H H 31 8.130 8.069 0.061 1 1 101 . 7 1 1 A 8 8 SER HA H 31 4.330 3.737 0.593 1 1 104 . 7 1 1 A 8 8 SER C C 31 174.900 174.093 0.807 1 1 105 . 7 1 1 A 8 8 SER CA C 31 58.800 59.599 -0.799 1 1 106 . 7 1 1 A 8 8 SER CB C 31 63.800 63.562 0.238 1 1 107 . 7 1 1 A 8 8 SER N N 31 116.000 121.295 -5.295 1 1 108 . 7 1 1 A 9 9 GLU H H 32 8.380 7.971 0.409 1 1 109 . 7 1 1 A 9 9 GLU HA H 32 4.240 4.020 0.220 1 1 114 . 7 1 1 A 9 9 GLU C C 32 176.600 176.739 -0.139 1 1 115 . 7 1 1 A 9 9 GLU CA C 32 57.000 57.225 -0.225 1 1 116 . 7 1 1 A 9 9 GLU CB C 32 30.000 28.045 1.955 1 1 118 . 7 1 1 A 9 9 GLU N N 32 122.200 119.974 2.226 1 1 119 . 7 1 1 A 10 10 LEU H H 33 7.990 7.785 0.205 1 1 120 . 7 1 1 A 10 10 LEU HA H 33 4.220 4.108 0.112 1 1 130 . 7 1 1 A 10 10 LEU C C 33 177.100 176.570 0.530 1 1 131 . 7 1 1 A 10 10 LEU CA C 33 55.500 57.680 -2.180 1 1 132 . 7 1 1 A 10 10 LEU CB C 33 42.200 42.118 0.082 1 1 136 . 7 1 1 A 10 10 LEU N N 33 121.200 126.052 -4.852 1 1 137 . 7 1 1 A 11 11 ASP H H 34 8.090 7.944 0.146 1 1 138 . 7 1 1 A 11 11 ASP HA H 34 4.550 4.781 -0.231 1 1 141 . 7 1 1 A 11 11 ASP C C 34 175.400 174.835 0.565 1 1 142 . 7 1 1 A 11 11 ASP CA C 34 54.200 53.869 0.331 1 1 143 . 7 1 1 A 11 11 ASP CB C 34 41.300 40.858 0.442 1 1 144 . 7 1 1 A 11 11 ASP N N 34 120.000 118.911 1.089 1 1 145 . 7 1 1 A 12 12 ALA H H 35 7.950 8.582 -0.632 1 1 146 . 7 1 1 A 12 12 ALA HA H 35 4.510 4.702 -0.192 1 1 150 . 7 1 1 A 12 12 ALA CA C 35 50.800 50.627 0.173 1 1 151 . 7 1 1 A 12 12 ALA CB C 35 18.300 18.611 -0.311 1 1 152 . 7 1 1 A 12 12 ALA N N 35 124.600 128.437 -3.837 1 1 153 . 7 1 1 A 13 13 PRO HA H 36 4.360 4.381 -0.021 1 1 160 . 7 1 1 A 13 13 PRO C C 36 176.900 177.007 -0.107 1 1 161 . 7 1 1 A 13 13 PRO CA C 36 63.200 63.562 -0.362 1 1 162 . 7 1 1 A 13 13 PRO CB C 36 32.000 32.094 -0.094 1 1 165 . 7 1 1 A 14 14 ALA H H 37 8.390 8.556 -0.166 1 1 166 . 7 1 1 A 14 14 ALA HA H 37 4.230 3.911 0.319 1 1 170 . 7 1 1 A 14 14 ALA C C 37 177.900 176.729 1.171 1 1 171 . 7 1 1 A 14 14 ALA CA C 37 52.600 52.826 -0.226 1 1 172 . 7 1 1 A 14 14 ALA CB C 37 19.300 17.786 1.514 1 1 173 . 7 1 1 A 14 14 ALA N N 37 123.900 121.113 2.787 1 1 174 . 7 1 1 A 15 15 GLN H H 38 8.330 7.986 0.344 1 1 175 . 7 1 1 A 15 15 GLN HA H 38 4.280 4.250 0.030 1 1 182 . 7 1 1 A 15 15 GLN C C 38 175.800 175.461 0.339 1 1 183 . 7 1 1 A 15 15 GLN CA C 38 55.700 55.241 0.459 1 1 184 . 7 1 1 A 15 15 GLN CB C 38 29.600 29.412 0.188 1 1 187 . 7 1 1 A 15 15 GLN N N 38 119.300 121.372 -2.072 1 1 189 . 7 1 1 A 16 16 ALA H H 39 8.410 8.429 -0.019 1 1 190 . 7 1 1 A 16 16 ALA HA H 39 4.070 4.109 -0.039 1 1 194 . 7 1 1 A 16 16 ALA C C 39 178.200 178.011 0.189 1 1 195 . 7 1 1 A 16 16 ALA CA C 39 52.800 53.462 -0.662 1 1 196 . 7 1 1 A 16 16 ALA CB C 39 19.300 18.839 0.461 1 1 197 . 7 1 1 A 16 16 ALA N N 39 125.600 122.626 2.974 1 1 198 . 7 1 1 A 17 17 GLY H H 40 8.510 8.798 -0.288 1 1 199 . 7 1 1 A 17 17 GLY HA2 H 40 4.010 4.023 -0.013 1 1 200 . 7 1 1 A 17 17 GLY HA3 H 40 4.010 4.024 -0.014 1 1 201 . 7 1 1 A 17 17 GLY C C 40 174.600 174.329 0.271 1 1 202 . 7 1 1 A 17 17 GLY CA C 40 45.400 45.073 0.327 1 1 203 . 7 1 1 A 17 17 GLY N N 40 108.500 109.395 -0.895 1 1 204 . 7 1 1 A 18 18 THR H H 41 8.020 8.748 -0.728 1 1 205 . 7 1 1 A 18 18 THR HA H 41 4.320 4.342 -0.022 1 1 210 . 7 1 1 A 18 18 THR C C 41 174.900 175.016 -0.116 1 1 211 . 7 1 1 A 18 18 THR CA C 41 62.100 63.081 -0.981 1 1 212 . 7 1 1 A 18 18 THR CB C 41 69.900 69.943 -0.043 1 1 214 . 7 1 1 A 18 18 THR N N 41 112.900 113.427 -0.527 1 1 215 . 7 1 1 A 19 19 GLU H H 42 8.630 7.966 0.664 1 1 216 . 7 1 1 A 19 19 GLU HA H 42 4.300 4.580 -0.280 1 1 221 . 7 1 1 A 19 19 GLU C C 42 176.600 176.303 0.297 1 1 222 . 7 1 1 A 19 19 GLU CA C 42 56.900 55.390 1.510 1 1 223 . 7 1 1 A 19 19 GLU CB C 42 30.000 29.957 0.043 1 1 225 . 7 1 1 A 19 19 GLU N N 42 123.000 121.461 1.539 1 1 226 . 7 1 1 A 20 20 SER H H 43 8.330 8.165 0.165 1 1 227 . 7 1 1 A 20 20 SER HA H 43 4.400 4.576 -0.176 1 1 230 . 7 1 1 A 20 20 SER C C 43 174.300 175.487 -1.187 1 1 231 . 7 1 1 A 20 20 SER CA C 43 58.500 58.084 0.416 1 1 232 . 7 1 1 A 20 20 SER CB C 43 63.900 65.133 -1.233 1 1 233 . 7 1 1 A 20 20 SER N N 43 116.600 114.565 2.035 1 1 234 . 7 1 1 A 21 21 ALA H H 44 8.320 7.974 0.346 1 1 235 . 7 1 1 A 21 21 ALA HA H 44 4.300 4.003 0.297 1 1 239 . 7 1 1 A 21 21 ALA C C 44 177.700 176.760 0.940 1 1 240 . 7 1 1 A 21 21 ALA CA C 44 52.700 54.460 -1.760 1 1 241 . 7 1 1 A 21 21 ALA CB C 44 19.300 17.456 1.844 1 1 242 . 7 1 1 A 21 21 ALA N N 44 126.000 121.123 4.877 1 1 243 . 7 1 1 A 22 22 VAL H H 45 8.040 9.071 -1.031 1 1 244 . 7 1 1 A 22 22 VAL HA H 45 4.100 3.785 0.315 1 1 252 . 7 1 1 A 22 22 VAL C C 45 176.100 175.409 0.691 1 1 253 . 7 1 1 A 22 22 VAL CA C 45 62.300 62.597 -0.297 1 1 254 . 7 1 1 A 22 22 VAL CB C 45 32.700 30.943 1.757 1 1 257 . 7 1 1 A 22 22 VAL N N 45 118.100 114.492 3.608 1 1 258 . 7 1 1 A 23 23 SER H H 46 8.370 8.133 0.237 1 1 259 . 7 1 1 A 23 23 SER HA H 46 4.410 4.626 -0.216 1 1 262 . 7 1 1 A 23 23 SER C C 46 174.900 174.443 0.457 1 1 263 . 7 1 1 A 23 23 SER CA C 46 58.500 57.787 0.713 1 1 264 . 7 1 1 A 23 23 SER CB C 46 63.900 64.481 -0.581 1 1 265 . 7 1 1 A 23 23 SER N N 46 119.100 121.155 -2.055 1 1 266 . 7 1 1 A 24 24 GLY H H 47 8.370 8.321 0.049 1 1 267 . 7 1 1 A 24 24 GLY HA2 H 47 3.950 4.226 -0.276 1 1 268 . 7 1 1 A 24 24 GLY HA3 H 47 3.950 4.231 -0.281 1 1 269 . 7 1 1 A 24 24 GLY C C 47 174.200 174.000 0.200 1 1 270 . 7 1 1 A 24 24 GLY CA C 47 45.400 46.143 -0.743 1 1 271 . 7 1 1 A 24 24 GLY N N 47 110.500 108.287 2.213 1 1 272 . 7 1 1 A 25 25 VAL H H 48 7.980 8.842 -0.862 1 1 273 . 7 1 1 A 25 25 VAL HA H 48 4.040 3.992 0.048 1 1 281 . 7 1 1 A 25 25 VAL C C 48 176.100 176.085 0.015 1 1 282 . 7 1 1 A 25 25 VAL CA C 48 62.200 62.849 -0.649 1 1 283 . 7 1 1 A 25 25 VAL CB C 48 32.500 31.415 1.085 1 1 286 . 7 1 1 A 25 25 VAL N N 48 118.100 118.075 0.025 1 1 287 . 7 1 1 A 26 26 GLU H H 49 8.580 8.189 0.391 1 1 288 . 7 1 1 A 26 26 GLU HA H 49 4.160 4.275 -0.115 1 1 293 . 7 1 1 A 26 26 GLU C C 49 176.900 176.014 0.886 1 1 294 . 7 1 1 A 26 26 GLU CA C 49 57.400 56.603 0.797 1 1 295 . 7 1 1 A 26 26 GLU CB C 49 29.800 29.756 0.044 1 1 297 . 7 1 1 A 26 26 GLU N N 49 123.900 121.371 2.529 1 1 298 . 7 1 1 A 27 27 GLY H H 50 8.330 7.387 0.943 1 1 299 . 7 1 1 A 27 27 GLY HA2 H 50 3.890 4.042 -0.152 1 1 300 . 7 1 1 A 27 27 GLY HA3 H 50 3.830 4.047 -0.217 1 1 301 . 7 1 1 A 27 27 GLY C C 50 173.800 172.161 1.639 1 1 302 . 7 1 1 A 27 27 GLY CA C 50 45.200 45.740 -0.540 1 1 303 . 7 1 1 A 27 27 GLY N N 50 109.500 106.845 2.655 1 1 304 . 7 1 1 A 28 28 LEU H H 51 7.770 8.686 -0.916 1 1 305 . 7 1 1 A 28 28 LEU HA H 51 4.470 4.893 -0.423 1 1 315 . 7 1 1 A 28 28 LEU CA C 51 52.800 51.822 0.978 1 1 316 . 7 1 1 A 28 28 LEU CB C 51 42.200 42.180 0.020 1 1 320 . 7 1 1 A 28 28 LEU N N 51 123.000 119.695 3.305 1 1 321 . 7 1 1 A 29 29 PRO HA H 52 4.660 4.650 0.010 1 1 328 . 7 1 1 A 29 29 PRO CA C 52 61.600 61.862 -0.262 1 1 329 . 7 1 1 A 29 29 PRO CB C 52 30.800 32.613 -1.813 1 1 332 . 7 1 1 A 30 30 PRO HA H 53 4.340 4.269 0.071 1 1 339 . 7 1 1 A 30 30 PRO C C 53 177.500 177.264 0.236 1 1 340 . 7 1 1 A 30 30 PRO CA C 53 63.500 63.710 -0.210 1 1 341 . 7 1 1 A 30 30 PRO CB C 53 32.000 31.673 0.327 1 1 344 . 7 1 1 A 31 31 GLY H H 54 8.690 8.797 -0.107 1 1 345 . 7 1 1 A 31 31 GLY HA2 H 54 4.060 3.772 0.288 1 1 346 . 7 1 1 A 31 31 GLY HA3 H 54 3.660 3.888 -0.228 1 1 347 . 7 1 1 A 31 31 GLY C C 54 172.900 173.575 -0.675 1 1 348 . 7 1 1 A 31 31 GLY CA C 54 45.400 45.367 0.033 1 1 349 . 7 1 1 A 31 31 GLY N N 54 110.100 111.670 -1.570 1 1 350 . 7 1 1 A 32 32 LEU H H 55 7.510 7.491 0.019 1 1 351 . 7 1 1 A 32 32 LEU HA H 55 4.960 5.228 -0.268 1 1 361 . 7 1 1 A 32 32 LEU C C 55 175.400 175.970 -0.570 1 1 362 . 7 1 1 A 32 32 LEU CA C 55 54.100 53.338 0.762 1 1 363 . 7 1 1 A 32 32 LEU CB C 55 44.400 44.527 -0.127 1 1 367 . 7 1 1 A 32 32 LEU N N 55 119.300 122.430 -3.130 1 1 368 . 7 1 1 A 33 33 ALA H H 56 7.840 8.816 -0.976 1 1 369 . 7 1 1 A 33 33 ALA HA H 56 4.500 4.865 -0.365 1 1 373 . 7 1 1 A 33 33 ALA C C 56 178.200 175.164 3.036 1 1 374 . 7 1 1 A 33 33 ALA CA C 56 51.100 51.157 -0.057 1 1 375 . 7 1 1 A 33 33 ALA CB C 56 23.900 23.991 -0.091 1 1 376 . 7 1 1 A 33 33 ALA N N 56 121.800 123.196 -1.396 1 1 377 . 7 1 1 A 34 34 LEU H H 57 8.640 8.041 0.599 1 1 378 . 7 1 1 A 34 34 LEU HA H 57 4.930 5.048 -0.118 1 1 388 . 7 1 1 A 34 34 LEU C C 57 174.400 175.909 -1.509 1 1 389 . 7 1 1 A 34 34 LEU CA C 57 53.400 53.441 -0.041 1 1 390 . 7 1 1 A 34 34 LEU CB C 57 47.300 45.394 1.906 1 1 394 . 7 1 1 A 34 34 LEU N N 57 119.200 118.545 0.655 1 1 395 . 7 1 1 A 35 35 LEU H H 58 8.640 8.664 -0.024 1 1 396 . 7 1 1 A 35 35 LEU HA H 58 5.440 5.199 0.241 1 1 406 . 7 1 1 A 35 35 LEU C C 58 176.200 175.350 0.850 1 1 407 . 7 1 1 A 35 35 LEU CA C 58 52.600 53.620 -1.020 1 1 408 . 7 1 1 A 35 35 LEU CB C 58 46.000 45.488 0.512 1 1 412 . 7 1 1 A 35 35 LEU N N 58 119.400 122.428 -3.028 1 1 413 . 7 1 1 A 36 36 VAL H H 59 8.960 8.525 0.435 1 1 414 . 7 1 1 A 36 36 VAL HA H 59 4.860 4.883 -0.023 1 1 422 . 7 1 1 A 36 36 VAL C C 59 176.400 174.541 1.859 1 1 423 . 7 1 1 A 36 36 VAL CA C 59 59.900 59.894 0.006 1 1 424 . 7 1 1 A 36 36 VAL CB C 59 34.600 35.906 -1.306 1 1 427 . 7 1 1 A 36 36 VAL N N 59 120.700 121.695 -0.995 1 1 428 . 7 1 1 A 37 37 VAL H H 60 8.830 8.699 0.131 1 1 429 . 7 1 1 A 37 37 VAL HA H 60 4.170 4.027 0.143 1 1 437 . 7 1 1 A 37 37 VAL C C 60 176.000 175.896 0.104 1 1 438 . 7 1 1 A 37 37 VAL CA C 60 63.900 63.822 0.078 1 1 439 . 7 1 1 A 37 37 VAL CB C 60 31.400 32.021 -0.621 1 1 442 . 7 1 1 A 37 37 VAL N N 60 125.700 127.518 -1.818 1 1 443 . 7 1 1 A 38 38 LYS H H 61 9.400 8.777 0.623 1 1 444 . 7 1 1 A 38 38 LYS HA H 61 4.450 4.367 0.083 1 1 453 . 7 1 1 A 38 38 LYS C C 61 176.000 175.730 0.270 1 1 454 . 7 1 1 A 38 38 LYS CA C 61 56.900 57.482 -0.582 1 1 455 . 7 1 1 A 38 38 LYS CB C 61 34.200 34.033 0.167 1 1 459 . 7 1 1 A 38 38 LYS N N 61 131.900 129.124 2.776 1 1 460 . 7 1 1 A 39 39 ARG H H 62 7.990 7.791 0.199 1 1 461 . 7 1 1 A 39 39 ARG HA H 62 4.700 4.823 -0.123 1 1 469 . 7 1 1 A 39 39 ARG C C 62 173.600 174.752 -1.152 1 1 470 . 7 1 1 A 39 39 ARG CA C 62 55.100 55.493 -0.393 1 1 471 . 7 1 1 A 39 39 ARG CB C 62 34.100 33.966 0.134 1 1 474 . 7 1 1 A 39 39 ARG N N 62 117.300 118.627 -1.327 1 1 476 . 7 1 1 A 40 40 GLY H H 63 8.480 8.440 0.040 1 1 477 . 7 1 1 A 40 40 GLY HA2 H 63 4.290 4.202 0.088 1 1 478 . 7 1 1 A 40 40 GLY HA3 H 63 3.580 4.326 -0.746 1 1 479 . 7 1 1 A 40 40 GLY CA C 63 43.800 44.655 -0.855 1 1 480 . 7 1 1 A 40 40 GLY N N 63 110.800 112.149 -1.349 1 1 481 . 7 1 1 A 41 41 PRO HA H 64 4.300 4.444 -0.144 1 1 488 . 7 1 1 A 41 41 PRO C C 64 175.900 176.993 -1.093 1 1 489 . 7 1 1 A 41 41 PRO CA C 64 64.400 64.496 -0.096 1 1 490 . 7 1 1 A 41 41 PRO CB C 64 31.500 31.941 -0.441 1 1 493 . 7 1 1 A 42 42 ASN H H 65 8.310 8.121 0.189 1 1 494 . 7 1 1 A 42 42 ASN HA H 65 4.770 4.942 -0.172 1 1 499 . 7 1 1 A 42 42 ASN C C 65 177.500 174.682 2.818 1 1 500 . 7 1 1 A 42 42 ASN CA C 65 52.100 52.557 -0.457 1 1 501 . 7 1 1 A 42 42 ASN CB C 65 36.700 38.738 -2.038 1 1 503 . 7 1 1 A 42 42 ASN N N 65 114.500 116.524 -2.024 1 1 505 . 7 1 1 A 43 43 ALA H H 66 7.470 7.255 0.215 1 1 506 . 7 1 1 A 43 43 ALA HA H 66 3.690 4.090 -0.400 1 1 510 . 7 1 1 A 43 43 ALA C C 66 177.800 178.374 -0.574 1 1 511 . 7 1 1 A 43 43 ALA CA C 66 54.200 53.752 0.448 1 1 512 . 7 1 1 A 43 43 ALA CB C 66 17.700 18.953 -1.253 1 1 513 . 7 1 1 A 43 43 ALA N N 66 122.100 122.244 -0.144 1 1 514 . 7 1 1 A 44 44 GLY H H 67 9.120 8.933 0.187 1 1 515 . 7 1 1 A 44 44 GLY HA2 H 67 4.440 4.041 0.399 1 1 516 . 7 1 1 A 44 44 GLY HA3 H 67 3.490 4.043 -0.553 1 1 517 . 7 1 1 A 44 44 GLY C C 67 174.900 174.464 0.436 1 1 518 . 7 1 1 A 44 44 GLY CA C 67 44.600 44.728 -0.128 1 1 519 . 7 1 1 A 44 44 GLY N N 67 111.800 110.702 1.098 1 1 520 . 7 1 1 A 45 45 SER H H 68 8.090 7.780 0.310 1 1 521 . 7 1 1 A 45 45 SER HA H 68 4.280 4.306 -0.026 1 1 524 . 7 1 1 A 45 45 SER C C 68 171.500 174.013 -2.513 1 1 525 . 7 1 1 A 45 45 SER CA C 68 60.500 58.324 2.176 1 1 526 . 7 1 1 A 45 45 SER CB C 68 63.800 63.822 -0.022 1 1 527 . 7 1 1 A 45 45 SER N N 68 117.400 117.138 0.262 1 1 528 . 7 1 1 A 46 46 ARG H H 69 8.120 8.262 -0.142 1 1 529 . 7 1 1 A 46 46 ARG HA H 69 5.140 5.203 -0.063 1 1 537 . 7 1 1 A 46 46 ARG C C 69 174.600 174.305 0.295 1 1 538 . 7 1 1 A 46 46 ARG CA C 69 54.200 54.036 0.164 1 1 539 . 7 1 1 A 46 46 ARG CB C 69 33.900 34.164 -0.264 1 1 542 . 7 1 1 A 46 46 ARG N N 69 119.800 125.712 -5.912 1 1 544 . 7 1 1 A 47 47 PHE H H 70 9.180 8.923 0.257 1 1 545 . 7 1 1 A 47 47 PHE HA H 70 4.720 5.052 -0.332 1 1 553 . 7 1 1 A 47 47 PHE C C 70 173.900 173.976 -0.076 1 1 554 . 7 1 1 A 47 47 PHE CA C 70 56.400 56.290 0.110 1 1 555 . 7 1 1 A 47 47 PHE CB C 70 41.500 42.486 -0.986 1 1 561 . 7 1 1 A 47 47 PHE N N 70 120.800 121.310 -0.510 1 1 562 . 7 1 1 A 48 48 LEU H H 71 8.720 8.973 -0.253 1 1 563 . 7 1 1 A 48 48 LEU HA H 71 4.450 5.071 -0.621 1 1 573 . 7 1 1 A 48 48 LEU C C 71 176.300 174.758 1.542 1 1 574 . 7 1 1 A 48 48 LEU CA C 71 54.900 53.672 1.228 1 1 575 . 7 1 1 A 48 48 LEU CB C 71 43.200 45.083 -1.883 1 1 579 . 7 1 1 A 48 48 LEU N N 71 125.300 124.547 0.753 1 1 580 . 7 1 1 A 49 49 LEU H H 72 8.730 8.750 -0.020 1 1 581 . 7 1 1 A 49 49 LEU HA H 72 4.770 4.697 0.073 1 1 591 . 7 1 1 A 49 49 LEU C C 72 174.800 175.485 -0.685 1 1 592 . 7 1 1 A 49 49 LEU CA C 72 53.200 54.212 -1.012 1 1 593 . 7 1 1 A 49 49 LEU CB C 72 40.900 41.233 -0.333 1 1 597 . 7 1 1 A 49 49 LEU N N 72 126.900 128.054 -1.154 1 1 598 . 7 1 1 A 50 50 ASP H H 73 8.350 8.182 0.168 1 1 599 . 7 1 1 A 50 50 ASP HA H 73 4.790 5.122 -0.332 1 1 602 . 7 1 1 A 50 50 ASP C C 73 175.600 174.849 0.751 1 1 603 . 7 1 1 A 50 50 ASP CA C 73 53.000 53.362 -0.362 1 1 604 . 7 1 1 A 50 50 ASP CB C 73 41.400 40.705 0.695 1 1 605 . 7 1 1 A 50 50 ASP N N 73 120.400 126.533 -6.133 1 1 606 . 7 1 1 A 51 51 GLN H H 74 7.670 8.346 -0.676 1 1 607 . 7 1 1 A 51 51 GLN HA H 74 4.660 4.635 0.025 1 1 614 . 7 1 1 A 51 51 GLN C C 74 175.400 173.819 1.581 1 1 615 . 7 1 1 A 51 51 GLN CA C 74 53.700 55.014 -1.314 1 1 616 . 7 1 1 A 51 51 GLN CB C 74 31.300 29.944 1.356 1 1 619 . 7 1 1 A 51 51 GLN N N 74 116.200 123.813 -7.613 1 1 621 . 7 1 1 A 52 52 ALA H H 75 8.720 8.317 0.403 1 1 622 . 7 1 1 A 52 52 ALA HA H 75 4.170 4.682 -0.512 1 1 626 . 7 1 1 A 52 52 ALA C C 75 178.300 176.287 2.013 1 1 627 . 7 1 1 A 52 52 ALA CA C 75 55.700 52.386 3.314 1 1 628 . 7 1 1 A 52 52 ALA CB C 75 18.500 21.742 -3.242 1 1 629 . 7 1 1 A 52 52 ALA N N 75 123.200 123.905 -0.705 1 1 630 . 7 1 1 A 53 53 ILE H H 76 8.030 8.489 -0.459 1 1 631 . 7 1 1 A 53 53 ILE HA H 76 4.650 4.043 0.607 1 1 641 . 7 1 1 A 53 53 ILE C C 76 175.100 175.266 -0.166 1 1 642 . 7 1 1 A 53 53 ILE CA C 76 61.100 61.771 -0.671 1 1 643 . 7 1 1 A 53 53 ILE CB C 76 40.500 36.790 3.710 1 1 647 . 7 1 1 A 53 53 ILE N N 76 115.400 119.593 -4.193 1 1 648 . 7 1 1 A 54 54 THR H H 77 8.840 8.130 0.710 1 1 649 . 7 1 1 A 54 54 THR HA H 77 4.940 4.639 0.301 1 1 654 . 7 1 1 A 54 54 THR C C 77 174.600 173.922 0.678 1 1 655 . 7 1 1 A 54 54 THR CA C 77 61.400 62.167 -0.767 1 1 656 . 7 1 1 A 54 54 THR CB C 77 70.300 69.863 0.437 1 1 658 . 7 1 1 A 54 54 THR N N 77 125.300 118.405 6.895 1 1 659 . 7 1 1 A 55 55 SER H H 78 10.690 9.060 1.630 1 1 660 . 7 1 1 A 55 55 SER HA H 78 4.720 4.833 -0.113 1 1 663 . 7 1 1 A 55 55 SER C C 78 172.600 173.851 -1.251 1 1 664 . 7 1 1 A 55 55 SER CA C 78 57.800 57.118 0.682 1 1 665 . 7 1 1 A 55 55 SER CB C 78 65.200 64.702 0.498 1 1 666 . 7 1 1 A 55 55 SER N N 78 126.300 122.100 4.200 1 1 667 . 7 1 1 A 56 56 ALA H H 79 8.840 8.223 0.617 1 1 668 . 7 1 1 A 56 56 ALA HA H 79 5.720 4.939 0.781 1 1 672 . 7 1 1 A 56 56 ALA C C 79 175.800 177.348 -1.548 1 1 673 . 7 1 1 A 56 56 ALA CA C 79 49.800 50.837 -1.037 1 1 674 . 7 1 1 A 56 56 ALA CB C 79 21.900 22.322 -0.422 1 1 675 . 7 1 1 A 56 56 ALA N N 79 123.200 125.103 -1.903 1 1 676 . 7 1 1 A 57 57 GLY H H 80 8.410 8.300 0.110 1 1 677 . 7 1 1 A 57 57 GLY HA2 H 80 4.400 3.827 0.573 1 1 678 . 7 1 1 A 57 57 GLY HA3 H 80 3.970 3.900 0.070 1 1 679 . 7 1 1 A 57 57 GLY C C 80 174.800 172.918 1.882 1 1 680 . 7 1 1 A 57 57 GLY CA C 80 46.300 45.785 0.515 1 1 681 . 7 1 1 A 57 57 GLY N N 80 108.700 106.480 2.220 1 1 682 . 7 1 1 A 58 58 ARG H H 81 8.330 7.927 0.403 1 1 683 . 7 1 1 A 58 58 ARG HA H 81 4.440 5.160 -0.720 1 1 690 . 7 1 1 A 58 58 ARG C C 81 176.400 175.003 1.397 1 1 691 . 7 1 1 A 58 58 ARG CA C 81 54.700 54.615 0.085 1 1 692 . 7 1 1 A 58 58 ARG CB C 81 32.300 33.142 -0.842 1 1 695 . 7 1 1 A 58 58 ARG N N 81 120.400 123.584 -3.184 1 1 696 . 7 1 1 A 59 59 HIS H H 82 9.040 8.873 0.167 1 1 697 . 7 1 1 A 59 59 HIS HA H 82 4.280 5.017 -0.737 1 1 702 . 7 1 1 A 59 59 HIS CA C 82 56.800 53.874 2.926 1 1 703 . 7 1 1 A 59 59 HIS CB C 82 30.900 33.178 -2.278 1 1 705 . 7 1 1 A 59 59 HIS N N 82 124.300 120.336 3.964 1 1 708 . 7 1 1 A 60 60 PRO HA H 83 3.640 4.359 -0.719 1 1 715 . 7 1 1 A 60 60 PRO C C 83 177.000 177.262 -0.262 1 1 716 . 7 1 1 A 60 60 PRO CA C 83 64.800 65.031 -0.231 1 1 717 . 7 1 1 A 60 60 PRO CB C 83 31.700 32.095 -0.395 1 1 720 . 7 1 1 A 61 61 ASP H H 84 11.140 8.525 2.615 1 1 721 . 7 1 1 A 61 61 ASP HA H 84 4.700 4.625 0.075 1 1 724 . 7 1 1 A 61 61 ASP C C 84 177.400 175.968 1.432 1 1 725 . 7 1 1 A 61 61 ASP CA C 84 53.900 54.057 -0.157 1 1 726 . 7 1 1 A 61 61 ASP CB C 84 40.500 40.030 0.470 1 1 727 . 7 1 1 A 61 61 ASP N N 84 121.600 115.734 5.866 1 1 728 . 7 1 1 A 62 62 SER H H 85 8.190 7.753 0.437 1 1 729 . 7 1 1 A 62 62 SER HA H 85 4.030 4.659 -0.629 1 1 733 . 7 1 1 A 62 62 SER C C 85 173.400 174.939 -1.539 1 1 734 . 7 1 1 A 62 62 SER CA C 85 60.400 57.170 3.230 1 1 735 . 7 1 1 A 62 62 SER CB C 85 65.200 64.348 0.852 1 1 736 . 7 1 1 A 62 62 SER N N 85 118.100 116.379 1.721 1 1 737 . 7 1 1 A 63 63 ASP H H 86 8.270 9.080 -0.810 1 1 738 . 7 1 1 A 63 63 ASP HA H 86 4.390 4.489 -0.099 1 1 741 . 7 1 1 A 63 63 ASP C C 86 177.200 177.241 -0.041 1 1 742 . 7 1 1 A 63 63 ASP CA C 86 58.300 57.627 0.673 1 1 743 . 7 1 1 A 63 63 ASP CB C 86 42.100 41.236 0.864 1 1 744 . 7 1 1 A 63 63 ASP N N 86 125.600 126.545 -0.945 1 1 745 . 7 1 1 A 64 64 ILE H H 87 8.470 7.673 0.797 1 1 746 . 7 1 1 A 64 64 ILE HA H 87 3.560 3.528 0.032 1 1 756 . 7 1 1 A 64 64 ILE C C 87 172.900 175.365 -2.465 1 1 757 . 7 1 1 A 64 64 ILE CA C 87 60.500 61.238 -0.738 1 1 758 . 7 1 1 A 64 64 ILE CB C 87 37.400 37.857 -0.457 1 1 762 . 7 1 1 A 64 64 ILE N N 87 119.500 119.641 -0.141 1 1 763 . 7 1 1 A 65 65 PHE H H 88 8.100 8.851 -0.751 1 1 764 . 7 1 1 A 65 65 PHE HA H 88 5.010 5.450 -0.440 1 1 772 . 7 1 1 A 65 65 PHE C C 88 174.000 173.636 0.364 1 1 773 . 7 1 1 A 65 65 PHE CA C 88 55.600 55.469 0.131 1 1 774 . 7 1 1 A 65 65 PHE CB C 88 38.800 41.642 -2.842 1 1 779 . 7 1 1 A 65 65 PHE N N 88 127.100 128.251 -1.151 1 1 780 . 7 1 1 A 66 66 LEU H H 89 7.710 8.577 -0.867 1 1 781 . 7 1 1 A 66 66 LEU HA H 89 3.620 4.662 -1.042 1 1 791 . 7 1 1 A 66 66 LEU C C 89 173.500 174.904 -1.404 1 1 792 . 7 1 1 A 66 66 LEU CA C 89 52.100 53.239 -1.139 1 1 793 . 7 1 1 A 66 66 LEU CB C 89 41.300 42.590 -1.290 1 1 797 . 7 1 1 A 66 66 LEU N N 89 131.900 129.211 2.689 1 1 798 . 7 1 1 A 67 67 ASP H H 90 7.980 8.788 -0.808 1 1 799 . 7 1 1 A 67 67 ASP HA H 90 4.260 4.693 -0.433 1 1 802 . 7 1 1 A 67 67 ASP C C 90 174.800 174.277 0.523 1 1 803 . 7 1 1 A 67 67 ASP CA C 90 53.100 53.462 -0.362 1 1 804 . 7 1 1 A 67 67 ASP CB C 90 39.900 39.089 0.811 1 1 805 . 7 1 1 A 67 67 ASP N N 90 120.000 125.208 -5.208 1 1 806 . 7 1 1 A 68 68 ASP H H 91 7.480 7.652 -0.172 1 1 807 . 7 1 1 A 68 68 ASP HA H 91 4.850 5.018 -0.168 1 1 810 . 7 1 1 A 68 68 ASP C C 91 175.600 175.931 -0.331 1 1 811 . 7 1 1 A 68 68 ASP CA C 91 54.900 53.938 0.962 1 1 812 . 7 1 1 A 68 68 ASP CB C 91 48.500 44.310 4.190 1 1 813 . 7 1 1 A 68 68 ASP N N 91 121.400 124.387 -2.987 1 1 814 . 7 1 1 A 69 69 VAL H H 92 8.370 8.969 -0.599 1 1 815 . 7 1 1 A 69 69 VAL HA H 92 4.060 3.842 0.218 1 1 823 . 7 1 1 A 69 69 VAL C C 92 175.900 177.747 -1.847 1 1 824 . 7 1 1 A 69 69 VAL CA C 92 64.800 65.138 -0.338 1 1 825 . 7 1 1 A 69 69 VAL CB C 92 31.700 31.510 0.190 1 1 828 . 7 1 1 A 69 69 VAL N N 92 121.900 124.483 -2.583 1 1 829 . 7 1 1 A 70 70 THR H H 93 8.360 7.803 0.557 1 1 830 . 7 1 1 A 70 70 THR HA H 93 4.060 4.210 -0.150 1 1 836 . 7 1 1 A 70 70 THR C C 93 175.100 174.744 0.356 1 1 837 . 7 1 1 A 70 70 THR CA C 93 63.700 65.301 -1.601 1 1 838 . 7 1 1 A 70 70 THR CB C 93 70.300 68.898 1.402 1 1 840 . 7 1 1 A 70 70 THR N N 93 111.100 112.081 -0.981 1 1 841 . 7 1 1 A 71 71 VAL H H 94 8.240 7.656 0.584 1 1 842 . 7 1 1 A 71 71 VAL HA H 94 4.520 4.324 0.196 1 1 850 . 7 1 1 A 71 71 VAL C C 94 176.800 175.746 1.054 1 1 851 . 7 1 1 A 71 71 VAL CA C 94 61.200 61.246 -0.046 1 1 852 . 7 1 1 A 71 71 VAL CB C 94 33.500 32.767 0.733 1 1 855 . 7 1 1 A 71 71 VAL N N 94 125.500 123.351 2.149 1 1 856 . 7 1 1 A 72 72 SER H H 95 11.410 8.994 2.416 1 1 857 . 7 1 1 A 72 72 SER HA H 95 4.670 4.737 -0.067 1 1 860 . 7 1 1 A 72 72 SER C C 95 174.500 175.915 -1.415 1 1 861 . 7 1 1 A 72 72 SER CA C 95 60.600 57.404 3.196 1 1 862 . 7 1 1 A 72 72 SER CB C 95 64.200 65.434 -1.234 1 1 863 . 7 1 1 A 72 72 SER N N 95 126.800 122.919 3.881 1 1 864 . 7 1 1 A 73 73 ARG H H 96 9.260 8.898 0.362 1 1 865 . 7 1 1 A 73 73 ARG HA H 96 3.770 3.853 -0.083 1 1 873 . 7 1 1 A 73 73 ARG C C 96 176.600 177.413 -0.813 1 1 874 . 7 1 1 A 73 73 ARG CA C 96 61.300 59.716 1.584 1 1 875 . 7 1 1 A 73 73 ARG CB C 96 29.800 29.928 -0.128 1 1 878 . 7 1 1 A 73 73 ARG N N 96 124.600 120.942 3.658 1 1 880 . 7 1 1 A 74 74 ARG H H 97 7.800 7.872 -0.072 1 1 881 . 7 1 1 A 74 74 ARG HA H 97 4.440 4.604 -0.164 1 1 889 . 7 1 1 A 74 74 ARG C C 97 173.100 177.294 -4.194 1 1 890 . 7 1 1 A 74 74 ARG CA C 97 54.800 57.500 -2.700 1 1 891 . 7 1 1 A 74 74 ARG CB C 97 29.300 31.628 -2.328 1 1 894 . 7 1 1 A 74 74 ARG N N 97 114.800 117.313 -2.513 1 1 896 . 7 1 1 A 75 75 HIS H H 98 7.840 8.127 -0.287 1 1 897 . 7 1 1 A 75 75 HIS HA H 98 4.430 4.679 -0.249 1 1 903 . 7 1 1 A 75 75 HIS C C 98 173.800 174.077 -0.277 1 1 904 . 7 1 1 A 75 75 HIS CA C 98 57.800 58.352 -0.552 1 1 905 . 7 1 1 A 75 75 HIS CB C 98 35.000 29.431 5.569 1 1 908 . 7 1 1 A 75 75 HIS N N 98 124.400 118.626 5.774 1 1 910 . 7 1 1 A 76 76 ALA H H 99 8.490 8.446 0.044 1 1 911 . 7 1 1 A 76 76 ALA HA H 99 5.580 4.417 1.163 1 1 915 . 7 1 1 A 76 76 ALA C C 99 176.500 174.986 1.514 1 1 916 . 7 1 1 A 76 76 ALA CA C 99 50.300 50.901 -0.601 1 1 917 . 7 1 1 A 76 76 ALA CB C 99 23.200 23.372 -0.172 1 1 918 . 7 1 1 A 76 76 ALA N N 99 116.600 118.605 -2.005 1 1 919 . 7 1 1 A 77 77 GLU H H 100 9.030 8.337 0.693 1 1 920 . 7 1 1 A 77 77 GLU HA H 100 5.030 4.986 0.044 1 1 925 . 7 1 1 A 77 77 GLU C C 100 174.100 174.429 -0.329 1 1 926 . 7 1 1 A 77 77 GLU CA C 100 54.500 54.651 -0.151 1 1 927 . 7 1 1 A 77 77 GLU CB C 100 34.900 33.544 1.356 1 1 929 . 7 1 1 A 77 77 GLU N N 100 118.100 120.497 -2.397 1 1 930 . 7 1 1 A 78 78 PHE H H 101 9.400 8.959 0.441 1 1 931 . 7 1 1 A 78 78 PHE HA H 101 5.400 5.556 -0.156 1 1 939 . 7 1 1 A 78 78 PHE C C 101 176.500 175.315 1.185 1 1 940 . 7 1 1 A 78 78 PHE CA C 101 56.700 56.372 0.328 1 1 941 . 7 1 1 A 78 78 PHE CB C 101 41.000 42.223 -1.223 1 1 946 . 7 1 1 A 78 78 PHE N N 101 119.600 123.882 -4.282 1 1 947 . 7 1 1 A 79 79 ARG H H 102 9.720 8.857 0.863 1 1 948 . 7 1 1 A 79 79 ARG HA H 102 5.490 5.262 0.228 1 1 956 . 7 1 1 A 79 79 ARG C C 102 174.300 174.198 0.102 1 1 957 . 7 1 1 A 79 79 ARG CA C 102 54.800 54.480 0.320 1 1 958 . 7 1 1 A 79 79 ARG CB C 102 33.100 34.306 -1.206 1 1 961 . 7 1 1 A 79 79 ARG N N 102 126.100 121.045 5.055 1 1 963 . 7 1 1 A 80 80 LEU H H 103 9.020 8.896 0.124 1 1 964 . 7 1 1 A 80 80 LEU HA H 103 4.400 4.784 -0.384 1 1 974 . 7 1 1 A 80 80 LEU C C 103 176.100 175.292 0.808 1 1 975 . 7 1 1 A 80 80 LEU CA C 103 54.100 53.700 0.400 1 1 976 . 7 1 1 A 80 80 LEU CB C 103 42.600 43.726 -1.126 1 1 980 . 7 1 1 A 80 80 LEU N N 103 128.000 124.818 3.182 1 1 981 . 7 1 1 A 81 81 GLU H H 104 8.860 8.558 0.302 1 1 982 . 7 1 1 A 81 81 GLU HA H 104 4.430 4.401 0.029 1 1 987 . 7 1 1 A 81 81 GLU C C 104 175.800 176.823 -1.023 1 1 988 . 7 1 1 A 81 81 GLU CA C 104 55.500 55.896 -0.396 1 1 989 . 7 1 1 A 81 81 GLU CB C 104 32.600 29.605 2.995 1 1 991 . 7 1 1 A 81 81 GLU N N 104 128.600 126.525 2.075 1 1 992 . 7 1 1 A 82 82 ASN H H 105 9.410 8.428 0.982 1 1 993 . 7 1 1 A 82 82 ASN HA H 105 4.200 4.464 -0.264 1 1 998 . 7 1 1 A 82 82 ASN C C 105 174.300 176.215 -1.915 1 1 999 . 7 1 1 A 82 82 ASN CA C 105 54.700 55.865 -1.165 1 1 1000 . 7 1 1 A 82 82 ASN CB C 105 37.200 39.043 -1.843 1 1 1002 . 7 1 1 A 82 82 ASN N N 105 124.600 120.296 4.304 1 1 1004 . 7 1 1 A 83 83 ASN H H 106 8.640 7.687 0.953 1 1 1005 . 7 1 1 A 83 83 ASN HA H 106 4.010 4.840 -0.830 1 1 1010 . 7 1 1 A 83 83 ASN C C 106 173.100 174.545 -1.445 1 1 1011 . 7 1 1 A 83 83 ASN CA C 106 54.900 52.475 2.425 1 1 1012 . 7 1 1 A 83 83 ASN CB C 106 38.100 39.174 -1.074 1 1 1014 . 7 1 1 A 83 83 ASN N N 106 108.900 112.572 -3.672 1 1 1016 . 7 1 1 A 84 84 GLU H H 107 7.660 7.614 0.046 1 1 1017 . 7 1 1 A 84 84 GLU HA H 107 4.660 4.701 -0.041 1 1 1022 . 7 1 1 A 84 84 GLU C C 107 174.300 175.348 -1.048 1 1 1023 . 7 1 1 A 84 84 GLU CA C 107 54.700 54.740 -0.040 1 1 1024 . 7 1 1 A 84 84 GLU CB C 107 32.900 33.260 -0.360 1 1 1026 . 7 1 1 A 84 84 GLU N N 107 118.300 119.623 -1.323 1 1 1027 . 7 1 1 A 85 85 PHE H H 108 9.690 8.816 0.874 1 1 1028 . 7 1 1 A 85 85 PHE HA H 108 5.000 4.762 0.238 1 1 1035 . 7 1 1 A 85 85 PHE C C 108 174.500 176.061 -1.561 1 1 1036 . 7 1 1 A 85 85 PHE CA C 108 58.600 58.600 0.000 1 1 1037 . 7 1 1 A 85 85 PHE CB C 108 41.800 39.953 1.847 1 1 1042 . 7 1 1 A 85 85 PHE N N 108 121.100 121.971 -0.871 1 1 1043 . 7 1 1 A 86 86 ASN H H 109 9.180 9.101 0.079 1 1 1044 . 7 1 1 A 86 86 ASN HA H 109 5.580 5.376 0.204 1 1 1049 . 7 1 1 A 86 86 ASN C C 109 175.000 173.646 1.354 1 1 1050 . 7 1 1 A 86 86 ASN CA C 109 51.200 52.197 -0.997 1 1 1051 . 7 1 1 A 86 86 ASN CB C 109 42.100 42.425 -0.325 1 1 1053 . 7 1 1 A 86 86 ASN N N 109 119.400 119.108 0.292 1 1 1055 . 7 1 1 A 87 87 VAL H H 110 9.060 8.828 0.232 1 1 1056 . 7 1 1 A 87 87 VAL HA H 110 4.940 5.026 -0.086 1 1 1064 . 7 1 1 A 87 87 VAL C C 110 171.700 173.688 -1.988 1 1 1065 . 7 1 1 A 87 87 VAL CA C 110 58.400 60.020 -1.620 1 1 1066 . 7 1 1 A 87 87 VAL CB C 110 33.800 34.612 -0.812 1 1 1069 . 7 1 1 A 87 87 VAL N N 110 121.300 120.175 1.125 1 1 1070 . 7 1 1 A 88 88 VAL H H 111 8.640 8.929 -0.289 1 1 1071 . 7 1 1 A 88 88 VAL HA H 111 4.590 4.532 0.058 1 1 1079 . 7 1 1 A 88 88 VAL C C 111 175.700 174.646 1.054 1 1 1080 . 7 1 1 A 88 88 VAL CA C 111 60.100 60.454 -0.354 1 1 1081 . 7 1 1 A 88 88 VAL CB C 111 36.200 35.382 0.818 1 1 1084 . 7 1 1 A 88 88 VAL N N 111 125.500 128.370 -2.870 1 1 1085 . 7 1 1 A 89 89 ASP H H 112 8.480 8.607 -0.127 1 1 1086 . 7 1 1 A 89 89 ASP HA H 112 4.870 4.805 0.065 1 1 1089 . 7 1 1 A 89 89 ASP C C 112 177.200 176.938 0.262 1 1 1090 . 7 1 1 A 89 89 ASP CA C 112 54.700 53.352 1.348 1 1 1091 . 7 1 1 A 89 89 ASP CB C 112 43.600 41.889 1.711 1 1 1092 . 7 1 1 A 89 89 ASP N N 112 126.600 126.670 -0.070 1 1 1093 . 7 1 1 A 90 90 VAL H H 113 7.980 8.547 -0.567 1 1 1094 . 7 1 1 A 90 90 VAL HA H 113 4.540 4.524 0.016 1 1 1102 . 7 1 1 A 90 90 VAL C C 113 174.400 175.807 -1.407 1 1 1103 . 7 1 1 A 90 90 VAL CA C 113 60.300 60.832 -0.532 1 1 1104 . 7 1 1 A 90 90 VAL CB C 113 29.500 31.348 -1.848 1 1 1107 . 7 1 1 A 90 90 VAL N N 113 119.700 117.896 1.804 1 1 1108 . 7 1 1 A 91 91 GLY H H 114 8.600 7.893 0.707 1 1 1109 . 7 1 1 A 91 91 GLY HA2 H 114 4.260 3.897 0.363 1 1 1110 . 7 1 1 A 91 91 GLY HA3 H 114 3.720 3.902 -0.182 1 1 1111 . 7 1 1 A 91 91 GLY C C 114 175.300 174.592 0.708 1 1 1112 . 7 1 1 A 91 91 GLY CA C 114 45.700 45.723 -0.023 1 1 1113 . 7 1 1 A 91 91 GLY N N 114 111.300 110.372 0.928 1 1 1114 . 7 1 1 A 92 92 SER H H 115 9.190 7.972 1.218 1 1 1115 . 7 1 1 A 92 92 SER HA H 115 3.890 4.477 -0.587 1 1 1118 . 7 1 1 A 92 92 SER C C 115 174.500 175.110 -0.610 1 1 1119 . 7 1 1 A 92 92 SER CA C 115 58.600 58.083 0.517 1 1 1120 . 7 1 1 A 92 92 SER CB C 115 61.300 64.553 -3.253 1 1 1121 . 7 1 1 A 92 92 SER N N 115 121.000 115.213 5.787 1 1 1122 . 7 1 1 A 93 93 LEU H H 116 7.720 8.665 -0.945 1 1 1123 . 7 1 1 A 93 93 LEU HA H 116 4.250 3.939 0.311 1 1 1133 . 7 1 1 A 93 93 LEU C C 116 179.100 177.604 1.496 1 1 1134 . 7 1 1 A 93 93 LEU CA C 116 57.200 57.855 -0.655 1 1 1135 . 7 1 1 A 93 93 LEU CB C 116 42.100 41.647 0.453 1 1 1139 . 7 1 1 A 93 93 LEU N N 116 120.500 125.222 -4.722 1 1 1140 . 7 1 1 A 94 94 ASN H H 117 8.450 7.742 0.708 1 1 1141 . 7 1 1 A 94 94 ASN HA H 117 4.870 4.905 -0.035 1 1 1146 . 7 1 1 A 94 94 ASN C C 117 175.800 174.735 1.065 1 1 1147 . 7 1 1 A 94 94 ASN CA C 117 54.000 52.158 1.842 1 1 1148 . 7 1 1 A 94 94 ASN CB C 117 40.100 39.453 0.647 1 1 1150 . 7 1 1 A 94 94 ASN N N 117 112.500 117.092 -4.592 1 1 1152 . 7 1 1 A 95 95 GLY H H 118 7.940 9.022 -1.082 1 1 1153 . 7 1 1 A 95 95 GLY HA2 H 118 4.190 3.983 0.207 1 1 1154 . 7 1 1 A 95 95 GLY HA3 H 118 3.610 4.034 -0.424 1 1 1155 . 7 1 1 A 95 95 GLY C C 118 174.000 173.315 0.685 1 1 1156 . 7 1 1 A 95 95 GLY CA C 118 44.300 45.522 -1.222 1 1 1157 . 7 1 1 A 95 95 GLY N N 118 109.800 113.685 -3.885 1 1 1158 . 7 1 1 A 96 96 THR H H 119 8.940 8.662 0.278 1 1 1159 . 7 1 1 A 96 96 THR HA H 119 3.820 4.496 -0.676 1 1 1165 . 7 1 1 A 96 96 THR C C 119 172.300 174.051 -1.751 1 1 1166 . 7 1 1 A 96 96 THR CA C 119 64.100 63.177 0.923 1 1 1167 . 7 1 1 A 96 96 THR CB C 119 70.200 69.528 0.672 1 1 1169 . 7 1 1 A 96 96 THR N N 119 122.000 121.587 0.413 1 1 1170 . 7 1 1 A 97 97 TYR H H 120 8.220 8.513 -0.293 1 1 1171 . 7 1 1 A 97 97 TYR HA H 120 5.340 5.515 -0.175 1 1 1178 . 7 1 1 A 97 97 TYR C C 120 175.900 172.243 3.657 1 1 1179 . 7 1 1 A 97 97 TYR CA C 120 55.600 55.568 0.032 1 1 1180 . 7 1 1 A 97 97 TYR CB C 120 41.400 41.655 -0.255 1 1 1185 . 7 1 1 A 97 97 TYR N N 120 122.800 123.013 -0.213 1 1 1186 . 7 1 1 A 98 98 VAL H H 121 9.040 8.649 0.391 1 1 1187 . 7 1 1 A 98 98 VAL HA H 121 5.010 4.685 0.325 1 1 1195 . 7 1 1 A 98 98 VAL C C 121 176.900 175.618 1.282 1 1 1196 . 7 1 1 A 98 98 VAL CA C 121 61.100 59.654 1.446 1 1 1197 . 7 1 1 A 98 98 VAL CB C 121 33.000 34.167 -1.167 1 1 1200 . 7 1 1 A 98 98 VAL N N 121 121.400 121.709 -0.309 1 1 1201 . 7 1 1 A 99 99 ASN H H 122 10.100 9.040 1.060 1 1 1202 . 7 1 1 A 99 99 ASN HA H 122 4.440 4.391 0.049 1 1 1207 . 7 1 1 A 99 99 ASN C C 122 174.500 174.928 -0.428 1 1 1208 . 7 1 1 A 99 99 ASN CA C 122 55.000 55.608 -0.608 1 1 1209 . 7 1 1 A 99 99 ASN CB C 122 37.000 37.198 -0.198 1 1 1211 . 7 1 1 A 99 99 ASN N N 122 129.400 123.529 5.871 1 1 1213 . 7 1 1 A 100 100 ARG H H 123 9.290 8.477 0.813 1 1 1214 . 7 1 1 A 100 100 ARG HA H 123 3.680 4.571 -0.891 1 1 1222 . 7 1 1 A 100 100 ARG C C 123 175.200 174.675 0.525 1 1 1223 . 7 1 1 A 100 100 ARG CA C 123 58.100 55.130 2.970 1 1 1224 . 7 1 1 A 100 100 ARG CB C 123 27.600 30.774 -3.174 1 1 1227 . 7 1 1 A 100 100 ARG N N 123 106.100 119.083 -12.983 1 1 1229 . 7 1 1 A 101 101 GLU H H 124 7.970 7.957 0.013 1 1 1230 . 7 1 1 A 101 101 GLU HA H 124 5.110 4.820 0.290 1 1 1235 . 7 1 1 A 101 101 GLU CA C 124 53.000 53.920 -0.920 1 1 1236 . 7 1 1 A 101 101 GLU CB C 124 30.900 30.455 0.445 1 1 1238 . 7 1 1 A 101 101 GLU N N 124 121.300 121.335 -0.035 1 1 1239 . 7 1 1 A 102 102 PRO HA H 125 4.050 4.673 -0.623 1 1 1246 . 7 1 1 A 102 102 PRO C C 125 177.500 176.380 1.120 1 1 1247 . 7 1 1 A 102 102 PRO CA C 125 62.300 63.203 -0.903 1 1 1248 . 7 1 1 A 102 102 PRO CB C 125 31.300 32.163 -0.863 1 1 1251 . 7 1 1 A 103 103 VAL H H 126 8.330 8.107 0.223 1 1 1252 . 7 1 1 A 103 103 VAL HA H 126 4.700 4.800 -0.100 1 1 1260 . 7 1 1 A 103 103 VAL C C 126 174.500 175.782 -1.282 1 1 1261 . 7 1 1 A 103 103 VAL CA C 126 58.900 59.581 -0.681 1 1 1262 . 7 1 1 A 103 103 VAL CB C 126 35.300 36.123 -0.823 1 1 1265 . 7 1 1 A 103 103 VAL N N 126 115.000 116.702 -1.702 1 1 1266 . 7 1 1 A 104 104 ASP H H 127 8.520 8.732 -0.212 1 1 1267 . 7 1 1 A 104 104 ASP HA H 127 4.780 4.449 0.331 1 1 1270 . 7 1 1 A 104 104 ASP C C 127 176.200 176.308 -0.108 1 1 1271 . 7 1 1 A 104 104 ASP CA C 127 55.800 56.901 -1.101 1 1 1272 . 7 1 1 A 104 104 ASP CB C 127 41.100 42.174 -1.074 1 1 1273 . 7 1 1 A 104 104 ASP N N 127 120.800 123.090 -2.290 1 1 1274 . 7 1 1 A 105 105 SER H H 128 7.650 7.909 -0.259 1 1 1275 . 7 1 1 A 105 105 SER HA H 128 5.440 4.877 0.563 1 1 1278 . 7 1 1 A 105 105 SER C C 128 173.400 172.758 0.642 1 1 1279 . 7 1 1 A 105 105 SER CA C 128 56.600 57.421 -0.821 1 1 1280 . 7 1 1 A 105 105 SER CB C 128 65.000 65.769 -0.769 1 1 1281 . 7 1 1 A 105 105 SER N N 128 111.500 110.158 1.342 1 1 1282 . 7 1 1 A 106 106 ALA H H 129 8.790 8.124 0.666 1 1 1283 . 7 1 1 A 106 106 ALA HA H 129 4.610 4.990 -0.380 1 1 1287 . 7 1 1 A 106 106 ALA C C 129 175.300 175.809 -0.509 1 1 1288 . 7 1 1 A 106 106 ALA CA C 129 52.100 51.525 0.575 1 1 1289 . 7 1 1 A 106 106 ALA CB C 129 22.600 23.338 -0.738 1 1 1290 . 7 1 1 A 106 106 ALA N N 129 125.100 121.564 3.536 1 1 1291 . 7 1 1 A 107 107 VAL H H 130 8.340 8.658 -0.318 1 1 1292 . 7 1 1 A 107 107 VAL HA H 130 4.160 4.658 -0.498 1 1 1300 . 7 1 1 A 107 107 VAL C C 130 176.300 175.394 0.906 1 1 1301 . 7 1 1 A 107 107 VAL CA C 130 62.600 61.161 1.439 1 1 1302 . 7 1 1 A 107 107 VAL CB C 130 32.000 33.889 -1.889 1 1 1305 . 7 1 1 A 107 107 VAL N N 130 122.800 118.930 3.870 1 1 1306 . 7 1 1 A 108 108 LEU H H 131 8.490 8.576 -0.086 1 1 1307 . 7 1 1 A 108 108 LEU HA H 131 4.370 4.392 -0.022 1 1 1317 . 7 1 1 A 108 108 LEU C C 131 175.200 176.014 -0.814 1 1 1318 . 7 1 1 A 108 108 LEU CA C 131 54.200 54.719 -0.519 1 1 1319 . 7 1 1 A 108 108 LEU CB C 131 43.000 41.613 1.387 1 1 1323 . 7 1 1 A 108 108 LEU N N 131 128.900 128.125 0.775 1 1 1324 . 7 1 1 A 109 109 ALA H H 132 9.130 9.075 0.055 1 1 1325 . 7 1 1 A 109 109 ALA HA H 132 4.750 4.920 -0.170 1 1 1329 . 7 1 1 A 109 109 ALA C C 132 176.500 176.445 0.055 1 1 1330 . 7 1 1 A 109 109 ALA CA C 132 49.700 50.826 -1.126 1 1 1331 . 7 1 1 A 109 109 ALA CB C 132 22.400 23.325 -0.925 1 1 1332 . 7 1 1 A 109 109 ALA N N 132 126.000 123.072 2.928 1 1 1333 . 7 1 1 A 110 110 ASN H H 133 8.860 8.978 -0.118 1 1 1334 . 7 1 1 A 110 110 ASN HA H 133 4.430 4.411 0.019 1 1 1339 . 7 1 1 A 110 110 ASN C C 133 176.400 176.568 -0.168 1 1 1340 . 7 1 1 A 110 110 ASN CA C 133 56.400 55.410 0.990 1 1 1341 . 7 1 1 A 110 110 ASN CB C 133 39.800 38.296 1.504 1 1 1343 . 7 1 1 A 110 110 ASN N N 133 117.600 118.199 -0.599 1 1 1345 . 7 1 1 A 111 111 GLY H H 134 10.100 8.414 1.686 1 1 1346 . 7 1 1 A 111 111 GLY HA2 H 134 4.430 3.879 0.551 1 1 1347 . 7 1 1 A 111 111 GLY HA3 H 134 3.410 3.916 -0.506 1 1 1348 . 7 1 1 A 111 111 GLY C C 134 174.800 174.304 0.496 1 1 1349 . 7 1 1 A 111 111 GLY CA C 134 45.100 45.589 -0.489 1 1 1350 . 7 1 1 A 111 111 GLY N N 134 117.200 111.832 5.368 1 1 1351 . 7 1 1 A 112 112 ASP H H 135 8.640 8.049 0.591 1 1 1352 . 7 1 1 A 112 112 ASP HA H 135 4.430 4.894 -0.464 1 1 1355 . 7 1 1 A 112 112 ASP C C 135 174.700 175.064 -0.364 1 1 1356 . 7 1 1 A 112 112 ASP CA C 135 56.200 53.929 2.271 1 1 1357 . 7 1 1 A 112 112 ASP CB C 135 42.100 42.071 0.029 1 1 1358 . 7 1 1 A 112 112 ASP N N 135 122.900 120.718 2.182 1 1 1359 . 7 1 1 A 113 113 GLU H H 136 8.360 8.651 -0.291 1 1 1360 . 7 1 1 A 113 113 GLU HA H 136 5.220 5.065 0.155 1 1 1365 . 7 1 1 A 113 113 GLU C C 136 176.000 175.493 0.507 1 1 1366 . 7 1 1 A 113 113 GLU CA C 136 54.400 54.850 -0.450 1 1 1367 . 7 1 1 A 113 113 GLU CB C 136 32.900 32.581 0.319 1 1 1369 . 7 1 1 A 113 113 GLU N N 136 119.000 120.707 -1.707 1 1 1370 . 7 1 1 A 114 114 VAL H H 137 9.800 8.967 0.833 1 1 1371 . 7 1 1 A 114 114 VAL HA H 137 5.160 4.857 0.303 1 1 1379 . 7 1 1 A 114 114 VAL C C 137 174.400 174.148 0.252 1 1 1380 . 7 1 1 A 114 114 VAL CA C 137 60.400 60.896 -0.496 1 1 1381 . 7 1 1 A 114 114 VAL CB C 137 34.300 34.778 -0.478 1 1 1384 . 7 1 1 A 114 114 VAL N N 137 129.000 123.689 5.311 1 1 1385 . 7 1 1 A 115 115 GLN H H 138 9.610 8.843 0.767 1 1 1386 . 7 1 1 A 115 115 GLN HA H 138 5.430 5.047 0.383 1 1 1393 . 7 1 1 A 115 115 GLN C C 138 174.800 174.422 0.378 1 1 1394 . 7 1 1 A 115 115 GLN CA C 138 54.500 54.031 0.469 1 1 1395 . 7 1 1 A 115 115 GLN CB C 138 30.700 32.179 -1.479 1 1 1398 . 7 1 1 A 115 115 GLN N N 138 129.300 127.761 1.539 1 1 1399 . 7 1 1 A 116 116 ILE H H 139 8.400 8.556 -0.156 1 1 1400 . 7 1 1 A 116 116 ILE HA H 139 4.020 4.373 -0.353 1 1 1410 . 7 1 1 A 116 116 ILE C C 139 174.500 176.298 -1.798 1 1 1411 . 7 1 1 A 116 116 ILE CA C 139 60.600 59.925 0.675 1 1 1412 . 7 1 1 A 116 116 ILE CB C 139 40.900 40.181 0.719 1 1 1416 . 7 1 1 A 116 116 ILE N N 139 128.300 126.785 1.515 1 1 1417 . 7 1 1 A 117 117 GLY H H 140 9.650 8.687 0.963 1 1 1418 . 7 1 1 A 117 117 GLY HA2 H 140 3.820 3.884 -0.064 1 1 1419 . 7 1 1 A 117 117 GLY HA3 H 140 3.630 4.058 -0.428 1 1 1420 . 7 1 1 A 117 117 GLY C C 140 175.400 174.888 0.512 1 1 1421 . 7 1 1 A 117 117 GLY CA C 140 46.500 47.472 -0.972 1 1 1422 . 7 1 1 A 117 117 GLY N N 140 116.800 115.650 1.150 1 1 1423 . 7 1 1 A 118 118 LYS H H 141 7.960 8.861 -0.901 1 1 1424 . 7 1 1 A 118 118 LYS HA H 141 4.070 4.374 -0.304 1 1 1433 . 7 1 1 A 118 118 LYS C C 141 175.600 176.778 -1.178 1 1 1434 . 7 1 1 A 118 118 LYS CA C 141 56.700 57.141 -0.441 1 1 1435 . 7 1 1 A 118 118 LYS CB C 141 32.600 33.756 -1.156 1 1 1439 . 7 1 1 A 118 118 LYS N N 141 122.400 126.446 -4.046 1 1 1440 . 7 1 1 A 119 119 PHE H H 142 8.260 7.475 0.785 1 1 1441 . 7 1 1 A 119 119 PHE HA H 142 4.540 4.609 -0.069 1 1 1449 . 7 1 1 A 119 119 PHE C C 142 174.700 175.155 -0.455 1 1 1450 . 7 1 1 A 119 119 PHE CA C 142 58.200 58.495 -0.295 1 1 1451 . 7 1 1 A 119 119 PHE CB C 142 39.900 40.124 -0.224 1 1 1456 . 7 1 1 A 119 119 PHE N N 142 119.500 117.671 1.829 1 1 1457 . 7 1 1 A 120 120 ARG H H 143 8.690 8.411 0.279 1 1 1458 . 7 1 1 A 120 120 ARG HA H 143 5.020 5.063 -0.043 1 1 1465 . 7 1 1 A 120 120 ARG C C 143 174.800 175.001 -0.201 1 1 1466 . 7 1 1 A 120 120 ARG CA C 143 55.100 54.653 0.447 1 1 1467 . 7 1 1 A 120 120 ARG CB C 143 32.800 33.540 -0.740 1 1 1470 . 7 1 1 A 120 120 ARG N N 143 121.500 122.495 -0.995 1 1 1471 . 7 1 1 A 121 121 LEU H H 144 9.760 9.233 0.527 1 1 1472 . 7 1 1 A 121 121 LEU HA H 144 5.420 5.116 0.304 1 1 1482 . 7 1 1 A 121 121 LEU C C 144 175.000 175.609 -0.609 1 1 1483 . 7 1 1 A 121 121 LEU CA C 144 53.900 53.426 0.474 1 1 1484 . 7 1 1 A 121 121 LEU CB C 144 44.900 46.023 -1.123 1 1 1488 . 7 1 1 A 121 121 LEU N N 144 126.400 127.151 -0.751 1 1 1489 . 7 1 1 A 122 122 VAL H H 145 9.370 8.910 0.460 1 1 1490 . 7 1 1 A 122 122 VAL HA H 145 5.010 5.060 -0.050 1 1 1498 . 7 1 1 A 122 122 VAL C C 145 173.700 173.130 0.570 1 1 1499 . 7 1 1 A 122 122 VAL CA C 145 60.800 59.440 1.360 1 1 1500 . 7 1 1 A 122 122 VAL CB C 145 34.300 35.003 -0.703 1 1 1503 . 7 1 1 A 122 122 VAL N N 145 121.900 121.239 0.661 1 1 1504 . 7 1 1 A 123 123 PHE H H 146 8.830 9.045 -0.215 1 1 1505 . 7 1 1 A 123 123 PHE HA H 146 4.980 4.843 0.137 1 1 1513 . 7 1 1 A 123 123 PHE C C 146 172.700 173.966 -1.266 1 1 1514 . 7 1 1 A 123 123 PHE CA C 146 57.100 56.503 0.597 1 1 1515 . 7 1 1 A 123 123 PHE CB C 146 41.100 40.021 1.079 1 1 1521 . 7 1 1 A 123 123 PHE N N 146 128.700 130.083 -1.383 1 1 1522 . 7 1 1 A 124 124 LEU H H 147 8.650 8.369 0.281 1 1 1523 . 7 1 1 A 124 124 LEU HA H 147 5.020 4.796 0.224 1 1 1533 . 7 1 1 A 124 124 LEU C C 147 175.300 175.479 -0.179 1 1 1534 . 7 1 1 A 124 124 LEU CA C 147 52.600 53.169 -0.569 1 1 1535 . 7 1 1 A 124 124 LEU CB C 147 45.600 45.617 -0.017 1 1 1539 . 7 1 1 A 124 124 LEU N N 147 128.000 128.722 -0.722 1 1 1540 . 7 1 1 A 125 125 THR H H 148 8.300 8.398 -0.098 1 1 1541 . 7 1 1 A 125 125 THR HA H 148 4.330 4.802 -0.472 1 1 1546 . 7 1 1 A 125 125 THR C C 148 173.900 174.714 -0.814 1 1 1547 . 7 1 1 A 125 125 THR CA C 148 60.200 59.846 0.354 1 1 1548 . 7 1 1 A 125 125 THR CB C 148 70.300 71.031 -0.731 1 1 1550 . 7 1 1 A 125 125 THR N N 148 110.600 113.097 -2.497 1 1 1551 . 7 1 1 A 126 126 GLY H H 149 8.310 8.799 -0.489 1 1 1552 . 7 1 1 A 126 126 GLY HA2 H 149 3.840 3.864 -0.024 1 1 1553 . 7 1 1 A 126 126 GLY HA3 H 149 3.840 3.871 -0.031 1 1 1554 . 7 1 1 A 126 126 GLY CA C 149 45.200 47.165 -1.965 1 1 1555 . 7 1 1 A 126 126 GLY N N 149 109.800 114.112 -4.312 1 1 1556 . 7 1 1 A 127 127 HIS H H 150 8.310 8.994 -0.684 1 1 1557 . 7 1 1 A 127 127 HIS HA H 150 4.630 4.256 0.374 1 1 1562 . 7 1 1 A 127 127 HIS C C 150 174.800 174.675 0.125 1 1 1563 . 7 1 1 A 127 127 HIS CA C 150 55.900 56.633 -0.733 1 1 1564 . 7 1 1 A 127 127 HIS CB C 150 30.700 28.030 2.670 1 1 1567 . 7 1 1 A 127 127 HIS N N 150 119.300 119.537 -0.237 1 1 1570 . 7 1 1 A 128 128 LYS H H 151 8.490 7.743 0.747 1 1 1571 . 7 1 1 A 128 128 LYS HA H 151 4.300 4.012 0.288 1 1 1580 . 7 1 1 A 128 128 LYS C C 151 176.200 175.470 0.730 1 1 1581 . 7 1 1 A 128 128 LYS CA C 151 56.100 56.386 -0.286 1 1 1582 . 7 1 1 A 128 128 LYS CB C 151 33.200 32.623 0.577 1 1 1586 . 7 1 1 A 128 128 LYS N N 151 123.800 121.391 2.409 1 1 1587 . 7 1 1 A 129 129 GLN H H 152 8.640 8.309 0.331 1 1 1588 . 7 1 1 A 129 129 GLN HA H 152 4.270 4.331 -0.061 1 1 1595 . 7 1 1 A 129 129 GLN C C 152 176.500 176.344 0.156 1 1 1596 . 7 1 1 A 129 129 GLN CA C 152 56.400 56.173 0.227 1 1 1597 . 7 1 1 A 129 129 GLN CB C 152 29.500 29.653 -0.153 1 1 1600 . 7 1 1 A 129 129 GLN N N 152 122.900 123.416 -0.516 1 1 1602 . 7 1 1 A 130 130 GLY H H 153 8.640 8.668 -0.028 1 1 1603 . 7 1 1 A 130 130 GLY HA2 H 153 3.990 3.931 0.059 1 1 1604 . 7 1 1 A 130 130 GLY HA3 H 153 3.910 3.957 -0.047 1 1 1605 . 7 1 1 A 130 130 GLY C C 153 174.100 174.896 -0.796 1 1 1606 . 7 1 1 A 130 130 GLY CA C 153 45.400 44.800 0.600 1 1 1607 . 7 1 1 A 130 130 GLY N N 153 111.100 112.632 -1.532 1 1 1608 . 7 1 1 A 131 131 GLU H H 154 8.220 8.961 -0.741 1 1 1609 . 7 1 1 A 131 131 GLU HA H 154 4.260 3.937 0.323 1 1 1614 . 7 1 1 A 131 131 GLU C C 154 176.100 175.937 0.163 1 1 1615 . 7 1 1 A 131 131 GLU CA C 154 56.600 57.878 -1.278 1 1 1616 . 7 1 1 A 131 131 GLU CB C 154 30.600 27.594 3.006 1 1 1618 . 7 1 1 A 131 131 GLU N N 154 120.500 117.131 3.369 1 1 1619 . 7 1 1 A 132 132 ASP H H 155 8.530 8.013 0.517 1 1 1620 . 7 1 1 A 132 132 ASP HA H 155 4.560 4.309 0.251 1 1 1623 . 7 1 1 A 132 132 ASP C C 155 176.300 176.051 0.249 1 1 1624 . 7 1 1 A 132 132 ASP CA C 155 54.300 56.832 -2.532 1 1 1625 . 7 1 1 A 132 132 ASP CB C 155 41.000 41.237 -0.237 1 1 1626 . 7 1 1 A 132 132 ASP N N 155 121.300 118.790 2.510 1 1 1627 . 7 1 1 A 133 133 LEU H H 156 8.230 7.687 0.543 1 1 1628 . 7 1 1 A 133 133 LEU HA H 156 4.200 3.747 0.453 1 1 1638 . 7 1 1 A 133 133 LEU C C 156 177.700 175.869 1.831 1 1 1639 . 7 1 1 A 133 133 LEU CA C 156 55.500 57.385 -1.885 1 1 1640 . 7 1 1 A 133 133 LEU CB C 156 42.100 40.364 1.736 1 1 1644 . 7 1 1 A 133 133 LEU N N 156 122.500 120.386 2.114 1 1 1645 . 7 1 1 A 134 134 GLU H H 157 8.270 8.586 -0.316 1 1 1646 . 7 1 1 A 134 134 GLU HA H 157 4.100 4.338 -0.238 1 1 1651 . 7 1 1 A 134 134 GLU C C 157 177.300 175.682 1.618 1 1 1652 . 7 1 1 A 134 134 GLU CA C 157 56.900 57.419 -0.519 1 1 1653 . 7 1 1 A 134 134 GLU CB C 157 30.000 30.766 -0.766 1 1 1655 . 7 1 1 A 134 134 GLU N N 157 119.800 119.262 0.538 1 1 1656 . 7 1 1 A 135 135 HIS H H 158 8.150 8.575 -0.425 1 1 1657 . 7 1 1 A 135 135 HIS HA H 158 4.530 4.938 -0.408 1 1 1662 . 7 1 1 A 135 135 HIS CA C 158 56.100 54.646 1.454 1 1 1663 . 7 1 1 A 135 135 HIS CB C 158 30.000 32.528 -2.528 1 1 1664 . 7 1 1 A 135 135 HIS N N 158 118.500 120.093 -1.593 1 1 1665 . 7 1 1 A 139 139 HIS HA H 162 4.590 4.468 0.122 1 1 1668 . 7 1 1 A 139 139 HIS C C 162 173.900 175.242 -1.342 1 1 1669 . 7 1 1 A 139 139 HIS CA C 162 55.900 55.925 -0.025 1 1 1670 . 7 1 1 A 139 139 HIS CB C 162 30.100 30.348 -0.248 1 1 15 . 8 1 1 A 2 2 PHE H H 25 8.640 8.112 0.528 1 1 16 . 8 1 1 A 2 2 PHE HA H 25 4.630 4.910 -0.280 1 1 24 . 8 1 1 A 2 2 PHE C C 25 175.000 176.451 -1.451 1 1 25 . 8 1 1 A 2 2 PHE CA C 25 58.000 57.107 0.893 1 1 26 . 8 1 1 A 2 2 PHE CB C 25 39.700 41.388 -1.688 1 1 31 . 8 1 1 A 3 3 ARG H H 26 8.210 7.075 1.135 1 1 32 . 8 1 1 A 3 3 ARG HA H 26 4.200 4.323 -0.123 1 1 40 . 8 1 1 A 3 3 ARG C C 26 175.100 176.178 -1.078 1 1 41 . 8 1 1 A 3 3 ARG CA C 26 55.600 57.294 -1.694 1 1 42 . 8 1 1 A 3 3 ARG CB C 26 31.300 30.223 1.077 1 1 45 . 8 1 1 A 3 3 ARG N N 26 125.000 119.164 5.836 1 1 47 . 8 1 1 A 4 4 ALA H H 27 8.260 7.801 0.459 1 1 48 . 8 1 1 A 4 4 ALA HA H 27 4.090 3.925 0.165 1 1 52 . 8 1 1 A 4 4 ALA C C 27 177.300 175.880 1.420 1 1 53 . 8 1 1 A 4 4 ALA CA C 27 52.800 54.120 -1.320 1 1 54 . 8 1 1 A 4 4 ALA CB C 27 19.200 17.945 1.255 1 1 55 . 8 1 1 A 4 4 ALA N N 27 125.400 121.017 4.383 1 1 56 . 8 1 1 A 5 5 ASP H H 28 8.260 8.442 -0.182 1 1 57 . 8 1 1 A 5 5 ASP HA H 28 4.470 4.769 -0.299 1 1 60 . 8 1 1 A 5 5 ASP C C 28 176.200 175.290 0.910 1 1 61 . 8 1 1 A 5 5 ASP CA C 28 54.500 53.131 1.369 1 1 62 . 8 1 1 A 5 5 ASP CB C 28 40.700 40.570 0.130 1 1 63 . 8 1 1 A 5 5 ASP N N 28 118.200 118.983 -0.783 1 1 64 . 8 1 1 A 6 6 PHE H H 29 7.930 6.856 1.074 1 1 65 . 8 1 1 A 6 6 PHE HA H 29 4.510 4.592 -0.082 1 1 73 . 8 1 1 A 6 6 PHE C C 29 175.700 176.272 -0.572 1 1 74 . 8 1 1 A 6 6 PHE CA C 29 58.000 58.894 -0.894 1 1 75 . 8 1 1 A 6 6 PHE CB C 29 39.300 39.925 -0.625 1 1 81 . 8 1 1 A 6 6 PHE N N 29 119.400 122.595 -3.195 1 1 82 . 8 1 1 A 7 7 LEU H H 30 8.000 7.491 0.509 1 1 83 . 8 1 1 A 7 7 LEU HA H 30 4.210 4.646 -0.436 1 1 93 . 8 1 1 A 7 7 LEU C C 30 177.400 176.962 0.438 1 1 94 . 8 1 1 A 7 7 LEU CA C 30 55.400 54.711 0.689 1 1 95 . 8 1 1 A 7 7 LEU CB C 30 42.200 42.778 -0.578 1 1 99 . 8 1 1 A 7 7 LEU N N 30 122.100 115.190 6.910 1 1 100 . 8 1 1 A 8 8 SER H H 31 8.130 7.460 0.670 1 1 101 . 8 1 1 A 8 8 SER HA H 31 4.330 4.281 0.049 1 1 104 . 8 1 1 A 8 8 SER C C 31 174.900 174.105 0.795 1 1 105 . 8 1 1 A 8 8 SER CA C 31 58.800 57.748 1.052 1 1 106 . 8 1 1 A 8 8 SER CB C 31 63.800 64.699 -0.899 1 1 107 . 8 1 1 A 8 8 SER N N 31 116.000 117.722 -1.722 1 1 108 . 8 1 1 A 9 9 GLU H H 32 8.380 8.887 -0.507 1 1 109 . 8 1 1 A 9 9 GLU HA H 32 4.240 4.494 -0.254 1 1 114 . 8 1 1 A 9 9 GLU C C 32 176.600 176.103 0.497 1 1 115 . 8 1 1 A 9 9 GLU CA C 32 57.000 57.119 -0.119 1 1 116 . 8 1 1 A 9 9 GLU CB C 32 30.000 32.419 -2.419 1 1 118 . 8 1 1 A 9 9 GLU N N 32 122.200 122.866 -0.666 1 1 119 . 8 1 1 A 10 10 LEU H H 33 7.990 7.901 0.089 1 1 120 . 8 1 1 A 10 10 LEU HA H 33 4.220 3.919 0.301 1 1 130 . 8 1 1 A 10 10 LEU C C 33 177.100 175.037 2.063 1 1 131 . 8 1 1 A 10 10 LEU CA C 33 55.500 55.477 0.023 1 1 132 . 8 1 1 A 10 10 LEU CB C 33 42.200 40.917 1.283 1 1 136 . 8 1 1 A 10 10 LEU N N 33 121.200 119.567 1.633 1 1 137 . 8 1 1 A 11 11 ASP H H 34 8.090 8.000 0.090 1 1 138 . 8 1 1 A 11 11 ASP HA H 34 4.550 4.667 -0.117 1 1 141 . 8 1 1 A 11 11 ASP C C 34 175.400 175.717 -0.317 1 1 142 . 8 1 1 A 11 11 ASP CA C 34 54.200 54.452 -0.252 1 1 143 . 8 1 1 A 11 11 ASP CB C 34 41.300 41.143 0.157 1 1 144 . 8 1 1 A 11 11 ASP N N 34 120.000 121.734 -1.734 1 1 145 . 8 1 1 A 12 12 ALA H H 35 7.950 8.754 -0.804 1 1 146 . 8 1 1 A 12 12 ALA HA H 35 4.510 4.717 -0.207 1 1 150 . 8 1 1 A 12 12 ALA CA C 35 50.800 50.117 0.683 1 1 151 . 8 1 1 A 12 12 ALA CB C 35 18.300 19.044 -0.744 1 1 152 . 8 1 1 A 12 12 ALA N N 35 124.600 122.972 1.628 1 1 153 . 8 1 1 A 13 13 PRO HA H 36 4.360 4.507 -0.147 1 1 160 . 8 1 1 A 13 13 PRO C C 36 176.900 177.119 -0.219 1 1 161 . 8 1 1 A 13 13 PRO CA C 36 63.200 62.512 0.688 1 1 162 . 8 1 1 A 13 13 PRO CB C 36 32.000 31.822 0.178 1 1 165 . 8 1 1 A 14 14 ALA H H 37 8.390 8.256 0.134 1 1 166 . 8 1 1 A 14 14 ALA HA H 37 4.230 4.359 -0.129 1 1 170 . 8 1 1 A 14 14 ALA C C 37 177.900 176.854 1.046 1 1 171 . 8 1 1 A 14 14 ALA CA C 37 52.600 52.934 -0.334 1 1 172 . 8 1 1 A 14 14 ALA CB C 37 19.300 19.030 0.270 1 1 173 . 8 1 1 A 14 14 ALA N N 37 123.900 125.103 -1.203 1 1 174 . 8 1 1 A 15 15 GLN H H 38 8.330 8.833 -0.503 1 1 175 . 8 1 1 A 15 15 GLN HA H 38 4.280 4.470 -0.190 1 1 182 . 8 1 1 A 15 15 GLN C C 38 175.800 176.126 -0.326 1 1 183 . 8 1 1 A 15 15 GLN CA C 38 55.700 57.400 -1.700 1 1 184 . 8 1 1 A 15 15 GLN CB C 38 29.600 30.278 -0.678 1 1 187 . 8 1 1 A 15 15 GLN N N 38 119.300 122.002 -2.702 1 1 189 . 8 1 1 A 16 16 ALA H H 39 8.410 7.678 0.732 1 1 190 . 8 1 1 A 16 16 ALA HA H 39 4.070 4.262 -0.192 1 1 194 . 8 1 1 A 16 16 ALA C C 39 178.200 178.497 -0.297 1 1 195 . 8 1 1 A 16 16 ALA CA C 39 52.800 52.208 0.592 1 1 196 . 8 1 1 A 16 16 ALA CB C 39 19.300 19.463 -0.163 1 1 197 . 8 1 1 A 16 16 ALA N N 39 125.600 121.396 4.204 1 1 198 . 8 1 1 A 17 17 GLY H H 40 8.510 8.643 -0.133 1 1 199 . 8 1 1 A 17 17 GLY HA2 H 40 4.010 3.895 0.115 1 1 200 . 8 1 1 A 17 17 GLY HA3 H 40 4.010 3.897 0.113 1 1 201 . 8 1 1 A 17 17 GLY C C 40 174.600 173.926 0.674 1 1 202 . 8 1 1 A 17 17 GLY CA C 40 45.400 45.497 -0.097 1 1 203 . 8 1 1 A 17 17 GLY N N 40 108.500 109.918 -1.418 1 1 204 . 8 1 1 A 18 18 THR H H 41 8.020 7.525 0.495 1 1 205 . 8 1 1 A 18 18 THR HA H 41 4.320 4.291 0.029 1 1 210 . 8 1 1 A 18 18 THR C C 41 174.900 173.981 0.919 1 1 211 . 8 1 1 A 18 18 THR CA C 41 62.100 62.463 -0.363 1 1 212 . 8 1 1 A 18 18 THR CB C 41 69.900 69.611 0.289 1 1 214 . 8 1 1 A 18 18 THR N N 41 112.900 115.389 -2.489 1 1 215 . 8 1 1 A 19 19 GLU H H 42 8.630 8.514 0.116 1 1 216 . 8 1 1 A 19 19 GLU HA H 42 4.300 4.590 -0.290 1 1 221 . 8 1 1 A 19 19 GLU C C 42 176.600 176.214 0.386 1 1 222 . 8 1 1 A 19 19 GLU CA C 42 56.900 56.331 0.569 1 1 223 . 8 1 1 A 19 19 GLU CB C 42 30.000 32.912 -2.912 1 1 225 . 8 1 1 A 19 19 GLU N N 42 123.000 128.036 -5.036 1 1 226 . 8 1 1 A 20 20 SER H H 43 8.330 9.123 -0.793 1 1 227 . 8 1 1 A 20 20 SER HA H 43 4.400 4.370 0.030 1 1 230 . 8 1 1 A 20 20 SER C C 43 174.300 174.723 -0.423 1 1 231 . 8 1 1 A 20 20 SER CA C 43 58.500 59.907 -1.407 1 1 232 . 8 1 1 A 20 20 SER CB C 43 63.900 62.673 1.227 1 1 233 . 8 1 1 A 20 20 SER N N 43 116.600 121.472 -4.872 1 1 234 . 8 1 1 A 21 21 ALA H H 44 8.320 7.660 0.660 1 1 235 . 8 1 1 A 21 21 ALA HA H 44 4.300 4.313 -0.013 1 1 239 . 8 1 1 A 21 21 ALA C C 44 177.700 177.484 0.216 1 1 240 . 8 1 1 A 21 21 ALA CA C 44 52.700 52.246 0.454 1 1 241 . 8 1 1 A 21 21 ALA CB C 44 19.300 19.444 -0.144 1 1 242 . 8 1 1 A 21 21 ALA N N 44 126.000 123.130 2.870 1 1 243 . 8 1 1 A 22 22 VAL H H 45 8.040 7.484 0.556 1 1 244 . 8 1 1 A 22 22 VAL HA H 45 4.100 4.127 -0.027 1 1 252 . 8 1 1 A 22 22 VAL C C 45 176.100 176.264 -0.164 1 1 253 . 8 1 1 A 22 22 VAL CA C 45 62.300 62.792 -0.492 1 1 254 . 8 1 1 A 22 22 VAL CB C 45 32.700 31.991 0.709 1 1 257 . 8 1 1 A 22 22 VAL N N 45 118.100 121.724 -3.624 1 1 258 . 8 1 1 A 23 23 SER H H 46 8.370 9.167 -0.797 1 1 259 . 8 1 1 A 23 23 SER HA H 46 4.410 4.363 0.047 1 1 262 . 8 1 1 A 23 23 SER C C 46 174.900 173.518 1.382 1 1 263 . 8 1 1 A 23 23 SER CA C 46 58.500 58.923 -0.423 1 1 264 . 8 1 1 A 23 23 SER CB C 46 63.900 62.585 1.315 1 1 265 . 8 1 1 A 23 23 SER N N 46 119.100 121.850 -2.750 1 1 266 . 8 1 1 A 24 24 GLY H H 47 8.370 8.519 -0.149 1 1 267 . 8 1 1 A 24 24 GLY HA2 H 47 3.950 4.074 -0.124 1 1 268 . 8 1 1 A 24 24 GLY HA3 H 47 3.950 4.075 -0.125 1 1 269 . 8 1 1 A 24 24 GLY C C 47 174.200 175.975 -1.775 1 1 270 . 8 1 1 A 24 24 GLY CA C 47 45.400 45.248 0.152 1 1 271 . 8 1 1 A 24 24 GLY N N 47 110.500 114.345 -3.845 1 1 272 . 8 1 1 A 25 25 VAL H H 48 7.980 7.937 0.043 1 1 273 . 8 1 1 A 25 25 VAL HA H 48 4.040 3.647 0.393 1 1 281 . 8 1 1 A 25 25 VAL C C 48 176.100 176.669 -0.569 1 1 282 . 8 1 1 A 25 25 VAL CA C 48 62.200 65.679 -3.479 1 1 283 . 8 1 1 A 25 25 VAL CB C 48 32.500 31.666 0.834 1 1 286 . 8 1 1 A 25 25 VAL N N 48 118.100 117.691 0.409 1 1 287 . 8 1 1 A 26 26 GLU H H 49 8.580 7.784 0.796 1 1 288 . 8 1 1 A 26 26 GLU HA H 49 4.160 3.918 0.242 1 1 293 . 8 1 1 A 26 26 GLU C C 49 176.900 177.548 -0.648 1 1 294 . 8 1 1 A 26 26 GLU CA C 49 57.400 58.628 -1.228 1 1 295 . 8 1 1 A 26 26 GLU CB C 49 29.800 29.560 0.240 1 1 297 . 8 1 1 A 26 26 GLU N N 49 123.900 121.413 2.487 1 1 298 . 8 1 1 A 27 27 GLY H H 50 8.330 8.712 -0.382 1 1 299 . 8 1 1 A 27 27 GLY HA2 H 50 3.890 3.808 0.082 1 1 300 . 8 1 1 A 27 27 GLY HA3 H 50 3.830 3.809 0.021 1 1 301 . 8 1 1 A 27 27 GLY C C 50 173.800 174.159 -0.359 1 1 302 . 8 1 1 A 27 27 GLY CA C 50 45.200 47.117 -1.917 1 1 303 . 8 1 1 A 27 27 GLY N N 50 109.500 114.595 -5.095 1 1 304 . 8 1 1 A 28 28 LEU H H 51 7.770 8.307 -0.537 1 1 305 . 8 1 1 A 28 28 LEU HA H 51 4.470 3.977 0.493 1 1 315 . 8 1 1 A 28 28 LEU CA C 51 52.800 55.688 -2.888 1 1 316 . 8 1 1 A 28 28 LEU CB C 51 42.200 40.529 1.671 1 1 320 . 8 1 1 A 28 28 LEU N N 51 123.000 121.460 1.540 1 1 321 . 8 1 1 A 29 29 PRO HA H 52 4.660 4.669 -0.009 1 1 328 . 8 1 1 A 29 29 PRO CA C 52 61.600 61.623 -0.023 1 1 329 . 8 1 1 A 29 29 PRO CB C 52 30.800 32.267 -1.467 1 1 332 . 8 1 1 A 30 30 PRO HA H 53 4.340 4.253 0.087 1 1 339 . 8 1 1 A 30 30 PRO C C 53 177.500 177.310 0.190 1 1 340 . 8 1 1 A 30 30 PRO CA C 53 63.500 63.729 -0.229 1 1 341 . 8 1 1 A 30 30 PRO CB C 53 32.000 31.724 0.276 1 1 344 . 8 1 1 A 31 31 GLY H H 54 8.690 8.920 -0.230 1 1 345 . 8 1 1 A 31 31 GLY HA2 H 54 4.060 3.873 0.187 1 1 346 . 8 1 1 A 31 31 GLY HA3 H 54 3.660 3.909 -0.249 1 1 347 . 8 1 1 A 31 31 GLY C C 54 172.900 173.605 -0.705 1 1 348 . 8 1 1 A 31 31 GLY CA C 54 45.400 45.260 0.140 1 1 349 . 8 1 1 A 31 31 GLY N N 54 110.100 112.028 -1.928 1 1 350 . 8 1 1 A 32 32 LEU H H 55 7.510 8.069 -0.559 1 1 351 . 8 1 1 A 32 32 LEU HA H 55 4.960 5.220 -0.260 1 1 361 . 8 1 1 A 32 32 LEU C C 55 175.400 176.034 -0.634 1 1 362 . 8 1 1 A 32 32 LEU CA C 55 54.100 53.352 0.748 1 1 363 . 8 1 1 A 32 32 LEU CB C 55 44.400 44.573 -0.173 1 1 367 . 8 1 1 A 32 32 LEU N N 55 119.300 122.701 -3.401 1 1 368 . 8 1 1 A 33 33 ALA H H 56 7.840 8.569 -0.729 1 1 369 . 8 1 1 A 33 33 ALA HA H 56 4.500 4.795 -0.295 1 1 373 . 8 1 1 A 33 33 ALA C C 56 178.200 175.545 2.655 1 1 374 . 8 1 1 A 33 33 ALA CA C 56 51.100 50.914 0.186 1 1 375 . 8 1 1 A 33 33 ALA CB C 56 23.900 23.605 0.295 1 1 376 . 8 1 1 A 33 33 ALA N N 56 121.800 122.896 -1.096 1 1 377 . 8 1 1 A 34 34 LEU H H 57 8.640 7.914 0.726 1 1 378 . 8 1 1 A 34 34 LEU HA H 57 4.930 5.250 -0.320 1 1 388 . 8 1 1 A 34 34 LEU C C 57 174.400 174.859 -0.459 1 1 389 . 8 1 1 A 34 34 LEU CA C 57 53.400 52.932 0.468 1 1 390 . 8 1 1 A 34 34 LEU CB C 57 47.300 46.089 1.211 1 1 394 . 8 1 1 A 34 34 LEU N N 57 119.200 116.189 3.011 1 1 395 . 8 1 1 A 35 35 LEU H H 58 8.640 8.273 0.367 1 1 396 . 8 1 1 A 35 35 LEU HA H 58 5.440 5.455 -0.015 1 1 406 . 8 1 1 A 35 35 LEU C C 58 176.200 176.176 0.024 1 1 407 . 8 1 1 A 35 35 LEU CA C 58 52.600 53.369 -0.769 1 1 408 . 8 1 1 A 35 35 LEU CB C 58 46.000 45.193 0.807 1 1 412 . 8 1 1 A 35 35 LEU N N 58 119.400 122.572 -3.172 1 1 413 . 8 1 1 A 36 36 VAL H H 59 8.960 8.859 0.101 1 1 414 . 8 1 1 A 36 36 VAL HA H 59 4.860 4.761 0.099 1 1 422 . 8 1 1 A 36 36 VAL C C 59 176.400 175.140 1.260 1 1 423 . 8 1 1 A 36 36 VAL CA C 59 59.900 60.191 -0.291 1 1 424 . 8 1 1 A 36 36 VAL CB C 59 34.600 34.946 -0.346 1 1 427 . 8 1 1 A 36 36 VAL N N 59 120.700 122.174 -1.474 1 1 428 . 8 1 1 A 37 37 VAL H H 60 8.830 8.721 0.109 1 1 429 . 8 1 1 A 37 37 VAL HA H 60 4.170 4.170 0.000 1 1 437 . 8 1 1 A 37 37 VAL C C 60 176.000 175.422 0.578 1 1 438 . 8 1 1 A 37 37 VAL CA C 60 63.900 63.592 0.308 1 1 439 . 8 1 1 A 37 37 VAL CB C 60 31.400 32.236 -0.836 1 1 442 . 8 1 1 A 37 37 VAL N N 60 125.700 128.025 -2.325 1 1 443 . 8 1 1 A 38 38 LYS H H 61 9.400 8.857 0.543 1 1 444 . 8 1 1 A 38 38 LYS HA H 61 4.450 4.646 -0.196 1 1 453 . 8 1 1 A 38 38 LYS C C 61 176.000 174.964 1.036 1 1 454 . 8 1 1 A 38 38 LYS CA C 61 56.900 54.986 1.914 1 1 455 . 8 1 1 A 38 38 LYS CB C 61 34.200 32.486 1.714 1 1 459 . 8 1 1 A 38 38 LYS N N 61 131.900 128.439 3.461 1 1 460 . 8 1 1 A 39 39 ARG H H 62 7.990 7.607 0.383 1 1 461 . 8 1 1 A 39 39 ARG HA H 62 4.700 5.040 -0.340 1 1 469 . 8 1 1 A 39 39 ARG C C 62 173.600 176.828 -3.228 1 1 470 . 8 1 1 A 39 39 ARG CA C 62 55.100 53.638 1.462 1 1 471 . 8 1 1 A 39 39 ARG CB C 62 34.100 33.353 0.747 1 1 474 . 8 1 1 A 39 39 ARG N N 62 117.300 124.453 -7.153 1 1 476 . 8 1 1 A 40 40 GLY H H 63 8.480 8.839 -0.359 1 1 477 . 8 1 1 A 40 40 GLY HA2 H 63 4.290 3.863 0.427 1 1 478 . 8 1 1 A 40 40 GLY HA3 H 63 3.580 3.866 -0.286 1 1 479 . 8 1 1 A 40 40 GLY CA C 63 43.800 47.636 -3.836 1 1 480 . 8 1 1 A 40 40 GLY N N 63 110.800 111.325 -0.525 1 1 481 . 8 1 1 A 41 41 PRO HA H 64 4.300 4.551 -0.251 1 1 488 . 8 1 1 A 41 41 PRO C C 64 175.900 176.789 -0.889 1 1 489 . 8 1 1 A 41 41 PRO CA C 64 64.400 64.103 0.297 1 1 490 . 8 1 1 A 41 41 PRO CB C 64 31.500 32.397 -0.897 1 1 493 . 8 1 1 A 42 42 ASN H H 65 8.310 8.277 0.033 1 1 494 . 8 1 1 A 42 42 ASN HA H 65 4.770 5.039 -0.269 1 1 499 . 8 1 1 A 42 42 ASN C C 65 177.500 174.373 3.127 1 1 500 . 8 1 1 A 42 42 ASN CA C 65 52.100 52.290 -0.190 1 1 501 . 8 1 1 A 42 42 ASN CB C 65 36.700 40.146 -3.446 1 1 503 . 8 1 1 A 42 42 ASN N N 65 114.500 118.249 -3.749 1 1 505 . 8 1 1 A 43 43 ALA H H 66 7.470 7.436 0.034 1 1 506 . 8 1 1 A 43 43 ALA HA H 66 3.690 4.147 -0.457 1 1 510 . 8 1 1 A 43 43 ALA C C 66 177.800 178.511 -0.711 1 1 511 . 8 1 1 A 43 43 ALA CA C 66 54.200 53.062 1.138 1 1 512 . 8 1 1 A 43 43 ALA CB C 66 17.700 19.788 -2.088 1 1 513 . 8 1 1 A 43 43 ALA N N 66 122.100 122.912 -0.812 1 1 514 . 8 1 1 A 44 44 GLY H H 67 9.120 8.906 0.214 1 1 515 . 8 1 1 A 44 44 GLY HA2 H 67 4.440 3.981 0.459 1 1 516 . 8 1 1 A 44 44 GLY HA3 H 67 3.490 3.983 -0.493 1 1 517 . 8 1 1 A 44 44 GLY C C 67 174.900 174.419 0.481 1 1 518 . 8 1 1 A 44 44 GLY CA C 67 44.600 44.889 -0.289 1 1 519 . 8 1 1 A 44 44 GLY N N 67 111.800 111.248 0.552 1 1 520 . 8 1 1 A 45 45 SER H H 68 8.090 7.948 0.142 1 1 521 . 8 1 1 A 45 45 SER HA H 68 4.280 4.292 -0.012 1 1 524 . 8 1 1 A 45 45 SER C C 68 171.500 173.046 -1.546 1 1 525 . 8 1 1 A 45 45 SER CA C 68 60.500 59.236 1.264 1 1 526 . 8 1 1 A 45 45 SER CB C 68 63.800 63.445 0.355 1 1 527 . 8 1 1 A 45 45 SER N N 68 117.400 117.823 -0.423 1 1 528 . 8 1 1 A 46 46 ARG H H 69 8.120 8.143 -0.023 1 1 529 . 8 1 1 A 46 46 ARG HA H 69 5.140 5.258 -0.118 1 1 537 . 8 1 1 A 46 46 ARG C C 69 174.600 174.465 0.135 1 1 538 . 8 1 1 A 46 46 ARG CA C 69 54.200 53.899 0.301 1 1 539 . 8 1 1 A 46 46 ARG CB C 69 33.900 34.106 -0.206 1 1 542 . 8 1 1 A 46 46 ARG N N 69 119.800 123.495 -3.695 1 1 544 . 8 1 1 A 47 47 PHE H H 70 9.180 8.616 0.564 1 1 545 . 8 1 1 A 47 47 PHE HA H 70 4.720 4.970 -0.250 1 1 553 . 8 1 1 A 47 47 PHE C C 70 173.900 175.346 -1.446 1 1 554 . 8 1 1 A 47 47 PHE CA C 70 56.400 56.418 -0.018 1 1 555 . 8 1 1 A 47 47 PHE CB C 70 41.500 40.776 0.724 1 1 561 . 8 1 1 A 47 47 PHE N N 70 120.800 120.679 0.121 1 1 562 . 8 1 1 A 48 48 LEU H H 71 8.720 8.638 0.082 1 1 563 . 8 1 1 A 48 48 LEU HA H 71 4.450 4.806 -0.356 1 1 573 . 8 1 1 A 48 48 LEU C C 71 176.300 176.207 0.093 1 1 574 . 8 1 1 A 48 48 LEU CA C 71 54.900 53.411 1.489 1 1 575 . 8 1 1 A 48 48 LEU CB C 71 43.200 42.965 0.235 1 1 579 . 8 1 1 A 48 48 LEU N N 71 125.300 121.902 3.398 1 1 580 . 8 1 1 A 49 49 LEU H H 72 8.730 8.965 -0.235 1 1 581 . 8 1 1 A 49 49 LEU HA H 72 4.770 4.615 0.155 1 1 591 . 8 1 1 A 49 49 LEU C C 72 174.800 176.048 -1.248 1 1 592 . 8 1 1 A 49 49 LEU CA C 72 53.200 54.195 -0.995 1 1 593 . 8 1 1 A 49 49 LEU CB C 72 40.900 40.946 -0.046 1 1 597 . 8 1 1 A 49 49 LEU N N 72 126.900 123.929 2.971 1 1 598 . 8 1 1 A 50 50 ASP H H 73 8.350 8.673 -0.323 1 1 599 . 8 1 1 A 50 50 ASP HA H 73 4.790 4.978 -0.188 1 1 602 . 8 1 1 A 50 50 ASP C C 73 175.600 175.476 0.124 1 1 603 . 8 1 1 A 50 50 ASP CA C 73 53.000 52.980 0.020 1 1 604 . 8 1 1 A 50 50 ASP CB C 73 41.400 41.230 0.170 1 1 605 . 8 1 1 A 50 50 ASP N N 73 120.400 126.713 -6.313 1 1 606 . 8 1 1 A 51 51 GLN H H 74 7.670 7.470 0.200 1 1 607 . 8 1 1 A 51 51 GLN HA H 74 4.660 4.791 -0.131 1 1 614 . 8 1 1 A 51 51 GLN C C 74 175.400 175.912 -0.512 1 1 615 . 8 1 1 A 51 51 GLN CA C 74 53.700 54.220 -0.520 1 1 616 . 8 1 1 A 51 51 GLN CB C 74 31.300 32.004 -0.704 1 1 619 . 8 1 1 A 51 51 GLN N N 74 116.200 119.280 -3.080 1 1 621 . 8 1 1 A 52 52 ALA H H 75 8.720 8.646 0.074 1 1 622 . 8 1 1 A 52 52 ALA HA H 75 4.170 4.177 -0.007 1 1 626 . 8 1 1 A 52 52 ALA C C 75 178.300 177.824 0.476 1 1 627 . 8 1 1 A 52 52 ALA CA C 75 55.700 54.664 1.036 1 1 628 . 8 1 1 A 52 52 ALA CB C 75 18.500 19.316 -0.816 1 1 629 . 8 1 1 A 52 52 ALA N N 75 123.200 123.504 -0.304 1 1 630 . 8 1 1 A 53 53 ILE H H 76 8.030 8.048 -0.018 1 1 631 . 8 1 1 A 53 53 ILE HA H 76 4.650 4.819 -0.169 1 1 641 . 8 1 1 A 53 53 ILE C C 76 175.100 174.483 0.617 1 1 642 . 8 1 1 A 53 53 ILE CA C 76 61.100 60.255 0.845 1 1 643 . 8 1 1 A 53 53 ILE CB C 76 40.500 40.865 -0.365 1 1 647 . 8 1 1 A 53 53 ILE N N 76 115.400 117.386 -1.986 1 1 648 . 8 1 1 A 54 54 THR H H 77 8.840 8.992 -0.152 1 1 649 . 8 1 1 A 54 54 THR HA H 77 4.940 5.025 -0.085 1 1 654 . 8 1 1 A 54 54 THR C C 77 174.600 174.820 -0.220 1 1 655 . 8 1 1 A 54 54 THR CA C 77 61.400 61.542 -0.142 1 1 656 . 8 1 1 A 54 54 THR CB C 77 70.300 70.790 -0.490 1 1 658 . 8 1 1 A 54 54 THR N N 77 125.300 124.823 0.477 1 1 659 . 8 1 1 A 55 55 SER H H 78 10.690 8.990 1.700 1 1 660 . 8 1 1 A 55 55 SER HA H 78 4.720 4.845 -0.125 1 1 663 . 8 1 1 A 55 55 SER C C 78 172.600 174.557 -1.957 1 1 664 . 8 1 1 A 55 55 SER CA C 78 57.800 57.712 0.088 1 1 665 . 8 1 1 A 55 55 SER CB C 78 65.200 64.787 0.413 1 1 666 . 8 1 1 A 55 55 SER N N 78 126.300 121.255 5.045 1 1 667 . 8 1 1 A 56 56 ALA H H 79 8.840 8.032 0.808 1 1 668 . 8 1 1 A 56 56 ALA HA H 79 5.720 4.763 0.957 1 1 672 . 8 1 1 A 56 56 ALA C C 79 175.800 177.729 -1.929 1 1 673 . 8 1 1 A 56 56 ALA CA C 79 49.800 50.927 -1.127 1 1 674 . 8 1 1 A 56 56 ALA CB C 79 21.900 21.275 0.625 1 1 675 . 8 1 1 A 56 56 ALA N N 79 123.200 123.056 0.144 1 1 676 . 8 1 1 A 57 57 GLY H H 80 8.410 8.522 -0.112 1 1 677 . 8 1 1 A 57 57 GLY HA2 H 80 4.400 3.983 0.417 1 1 678 . 8 1 1 A 57 57 GLY HA3 H 80 3.970 3.989 -0.019 1 1 679 . 8 1 1 A 57 57 GLY C C 80 174.800 173.865 0.935 1 1 680 . 8 1 1 A 57 57 GLY CA C 80 46.300 46.982 -0.682 1 1 681 . 8 1 1 A 57 57 GLY N N 80 108.700 107.137 1.563 1 1 682 . 8 1 1 A 58 58 ARG H H 81 8.330 8.196 0.134 1 1 683 . 8 1 1 A 58 58 ARG HA H 81 4.440 4.816 -0.376 1 1 690 . 8 1 1 A 58 58 ARG C C 81 176.400 175.196 1.204 1 1 691 . 8 1 1 A 58 58 ARG CA C 81 54.700 55.627 -0.927 1 1 692 . 8 1 1 A 58 58 ARG CB C 81 32.300 31.239 1.061 1 1 695 . 8 1 1 A 58 58 ARG N N 81 120.400 124.219 -3.819 1 1 696 . 8 1 1 A 59 59 HIS H H 82 9.040 8.655 0.385 1 1 697 . 8 1 1 A 59 59 HIS HA H 82 4.280 5.146 -0.866 1 1 702 . 8 1 1 A 59 59 HIS CA C 82 56.800 53.132 3.668 1 1 703 . 8 1 1 A 59 59 HIS CB C 82 30.900 30.057 0.843 1 1 705 . 8 1 1 A 59 59 HIS N N 82 124.300 121.999 2.301 1 1 708 . 8 1 1 A 60 60 PRO HA H 83 3.640 4.219 -0.579 1 1 715 . 8 1 1 A 60 60 PRO C C 83 177.000 178.246 -1.246 1 1 716 . 8 1 1 A 60 60 PRO CA C 83 64.800 65.275 -0.475 1 1 717 . 8 1 1 A 60 60 PRO CB C 83 31.700 31.764 -0.064 1 1 720 . 8 1 1 A 61 61 ASP H H 84 11.140 8.832 2.308 1 1 721 . 8 1 1 A 61 61 ASP HA H 84 4.700 4.363 0.337 1 1 724 . 8 1 1 A 61 61 ASP C C 84 177.400 177.185 0.215 1 1 725 . 8 1 1 A 61 61 ASP CA C 84 53.900 56.842 -2.942 1 1 726 . 8 1 1 A 61 61 ASP CB C 84 40.500 40.273 0.227 1 1 727 . 8 1 1 A 61 61 ASP N N 84 121.600 118.724 2.876 1 1 728 . 8 1 1 A 62 62 SER H H 85 8.190 7.459 0.731 1 1 729 . 8 1 1 A 62 62 SER HA H 85 4.030 4.502 -0.472 1 1 733 . 8 1 1 A 62 62 SER C C 85 173.400 175.006 -1.606 1 1 734 . 8 1 1 A 62 62 SER CA C 85 60.400 58.428 1.972 1 1 735 . 8 1 1 A 62 62 SER CB C 85 65.200 64.153 1.047 1 1 736 . 8 1 1 A 62 62 SER N N 85 118.100 113.384 4.716 1 1 737 . 8 1 1 A 63 63 ASP H H 86 8.270 8.800 -0.530 1 1 738 . 8 1 1 A 63 63 ASP HA H 86 4.390 4.551 -0.161 1 1 741 . 8 1 1 A 63 63 ASP C C 86 177.200 177.105 0.095 1 1 742 . 8 1 1 A 63 63 ASP CA C 86 58.300 57.753 0.547 1 1 743 . 8 1 1 A 63 63 ASP CB C 86 42.100 41.307 0.793 1 1 744 . 8 1 1 A 63 63 ASP N N 86 125.600 123.636 1.964 1 1 745 . 8 1 1 A 64 64 ILE H H 87 8.470 8.063 0.407 1 1 746 . 8 1 1 A 64 64 ILE HA H 87 3.560 4.126 -0.566 1 1 756 . 8 1 1 A 64 64 ILE C C 87 172.900 174.988 -2.088 1 1 757 . 8 1 1 A 64 64 ILE CA C 87 60.500 60.293 0.207 1 1 758 . 8 1 1 A 64 64 ILE CB C 87 37.400 38.170 -0.770 1 1 762 . 8 1 1 A 64 64 ILE N N 87 119.500 119.519 -0.019 1 1 763 . 8 1 1 A 65 65 PHE H H 88 8.100 8.540 -0.440 1 1 764 . 8 1 1 A 65 65 PHE HA H 88 5.010 5.338 -0.328 1 1 772 . 8 1 1 A 65 65 PHE C C 88 174.000 173.662 0.338 1 1 773 . 8 1 1 A 65 65 PHE CA C 88 55.600 55.320 0.280 1 1 774 . 8 1 1 A 65 65 PHE CB C 88 38.800 39.787 -0.987 1 1 779 . 8 1 1 A 65 65 PHE N N 88 127.100 123.963 3.137 1 1 780 . 8 1 1 A 66 66 LEU H H 89 7.710 9.215 -1.505 1 1 781 . 8 1 1 A 66 66 LEU HA H 89 3.620 4.695 -1.075 1 1 791 . 8 1 1 A 66 66 LEU C C 89 173.500 174.785 -1.285 1 1 792 . 8 1 1 A 66 66 LEU CA C 89 52.100 54.271 -2.171 1 1 793 . 8 1 1 A 66 66 LEU CB C 89 41.300 40.788 0.512 1 1 797 . 8 1 1 A 66 66 LEU N N 89 131.900 126.276 5.624 1 1 798 . 8 1 1 A 67 67 ASP H H 90 7.980 8.627 -0.647 1 1 799 . 8 1 1 A 67 67 ASP HA H 90 4.260 4.985 -0.725 1 1 802 . 8 1 1 A 67 67 ASP C C 90 174.800 174.581 0.219 1 1 803 . 8 1 1 A 67 67 ASP CA C 90 53.100 53.314 -0.214 1 1 804 . 8 1 1 A 67 67 ASP CB C 90 39.900 40.939 -1.039 1 1 805 . 8 1 1 A 67 67 ASP N N 90 120.000 126.447 -6.447 1 1 806 . 8 1 1 A 68 68 ASP H H 91 7.480 8.451 -0.971 1 1 807 . 8 1 1 A 68 68 ASP HA H 91 4.850 5.003 -0.153 1 1 810 . 8 1 1 A 68 68 ASP C C 91 175.600 176.132 -0.532 1 1 811 . 8 1 1 A 68 68 ASP CA C 91 54.900 53.153 1.747 1 1 812 . 8 1 1 A 68 68 ASP CB C 91 48.500 42.750 5.750 1 1 813 . 8 1 1 A 68 68 ASP N N 91 121.400 124.591 -3.191 1 1 814 . 8 1 1 A 69 69 VAL H H 92 8.370 8.943 -0.573 1 1 815 . 8 1 1 A 69 69 VAL HA H 92 4.060 3.719 0.341 1 1 823 . 8 1 1 A 69 69 VAL C C 92 175.900 176.616 -0.716 1 1 824 . 8 1 1 A 69 69 VAL CA C 92 64.800 66.253 -1.453 1 1 825 . 8 1 1 A 69 69 VAL CB C 92 31.700 31.710 -0.010 1 1 828 . 8 1 1 A 69 69 VAL N N 92 121.900 119.480 2.420 1 1 829 . 8 1 1 A 70 70 THR H H 93 8.360 7.652 0.708 1 1 830 . 8 1 1 A 70 70 THR HA H 93 4.060 4.323 -0.263 1 1 836 . 8 1 1 A 70 70 THR C C 93 175.100 174.198 0.902 1 1 837 . 8 1 1 A 70 70 THR CA C 93 63.700 61.252 2.448 1 1 838 . 8 1 1 A 70 70 THR CB C 93 70.300 70.054 0.246 1 1 840 . 8 1 1 A 70 70 THR N N 93 111.100 113.735 -2.635 1 1 841 . 8 1 1 A 71 71 VAL H H 94 8.240 8.537 -0.297 1 1 842 . 8 1 1 A 71 71 VAL HA H 94 4.520 3.987 0.533 1 1 850 . 8 1 1 A 71 71 VAL C C 94 176.800 175.179 1.621 1 1 851 . 8 1 1 A 71 71 VAL CA C 94 61.200 62.556 -1.356 1 1 852 . 8 1 1 A 71 71 VAL CB C 94 33.500 31.073 2.427 1 1 855 . 8 1 1 A 71 71 VAL N N 94 125.500 118.700 6.800 1 1 856 . 8 1 1 A 72 72 SER H H 95 11.410 8.336 3.074 1 1 857 . 8 1 1 A 72 72 SER HA H 95 4.670 4.577 0.093 1 1 860 . 8 1 1 A 72 72 SER C C 95 174.500 174.983 -0.483 1 1 861 . 8 1 1 A 72 72 SER CA C 95 60.600 57.345 3.255 1 1 862 . 8 1 1 A 72 72 SER CB C 95 64.200 64.471 -0.271 1 1 863 . 8 1 1 A 72 72 SER N N 95 126.800 122.729 4.071 1 1 864 . 8 1 1 A 73 73 ARG H H 96 9.260 8.945 0.315 1 1 865 . 8 1 1 A 73 73 ARG HA H 96 3.770 4.028 -0.258 1 1 873 . 8 1 1 A 73 73 ARG C C 96 176.600 177.081 -0.481 1 1 874 . 8 1 1 A 73 73 ARG CA C 96 61.300 59.389 1.911 1 1 875 . 8 1 1 A 73 73 ARG CB C 96 29.800 30.525 -0.725 1 1 878 . 8 1 1 A 73 73 ARG N N 96 124.600 124.514 0.086 1 1 880 . 8 1 1 A 74 74 ARG H H 97 7.800 7.947 -0.147 1 1 881 . 8 1 1 A 74 74 ARG HA H 97 4.440 4.434 0.006 1 1 889 . 8 1 1 A 74 74 ARG C C 97 173.100 176.970 -3.870 1 1 890 . 8 1 1 A 74 74 ARG CA C 97 54.800 56.501 -1.701 1 1 891 . 8 1 1 A 74 74 ARG CB C 97 29.300 31.804 -2.504 1 1 894 . 8 1 1 A 74 74 ARG N N 97 114.800 114.354 0.446 1 1 896 . 8 1 1 A 75 75 HIS H H 98 7.840 8.150 -0.310 1 1 897 . 8 1 1 A 75 75 HIS HA H 98 4.430 4.174 0.256 1 1 903 . 8 1 1 A 75 75 HIS C C 98 173.800 173.698 0.102 1 1 904 . 8 1 1 A 75 75 HIS CA C 98 57.800 57.113 0.687 1 1 905 . 8 1 1 A 75 75 HIS CB C 98 35.000 27.544 7.456 1 1 908 . 8 1 1 A 75 75 HIS N N 98 124.400 119.264 5.136 1 1 910 . 8 1 1 A 76 76 ALA H H 99 8.490 7.108 1.382 1 1 911 . 8 1 1 A 76 76 ALA HA H 99 5.580 4.562 1.018 1 1 915 . 8 1 1 A 76 76 ALA C C 99 176.500 174.946 1.554 1 1 916 . 8 1 1 A 76 76 ALA CA C 99 50.300 51.146 -0.846 1 1 917 . 8 1 1 A 76 76 ALA CB C 99 23.200 22.398 0.802 1 1 918 . 8 1 1 A 76 76 ALA N N 99 116.600 120.977 -4.377 1 1 919 . 8 1 1 A 77 77 GLU H H 100 9.030 8.231 0.799 1 1 920 . 8 1 1 A 77 77 GLU HA H 100 5.030 4.624 0.406 1 1 925 . 8 1 1 A 77 77 GLU C C 100 174.100 174.206 -0.106 1 1 926 . 8 1 1 A 77 77 GLU CA C 100 54.500 55.348 -0.848 1 1 927 . 8 1 1 A 77 77 GLU CB C 100 34.900 33.832 1.068 1 1 929 . 8 1 1 A 77 77 GLU N N 100 118.100 121.105 -3.005 1 1 930 . 8 1 1 A 78 78 PHE H H 101 9.400 8.828 0.572 1 1 931 . 8 1 1 A 78 78 PHE HA H 101 5.400 5.240 0.160 1 1 939 . 8 1 1 A 78 78 PHE C C 101 176.500 174.603 1.897 1 1 940 . 8 1 1 A 78 78 PHE CA C 101 56.700 56.599 0.101 1 1 941 . 8 1 1 A 78 78 PHE CB C 101 41.000 42.006 -1.006 1 1 946 . 8 1 1 A 78 78 PHE N N 101 119.600 123.382 -3.782 1 1 947 . 8 1 1 A 79 79 ARG H H 102 9.720 8.923 0.797 1 1 948 . 8 1 1 A 79 79 ARG HA H 102 5.490 5.134 0.356 1 1 956 . 8 1 1 A 79 79 ARG C C 102 174.300 174.250 0.050 1 1 957 . 8 1 1 A 79 79 ARG CA C 102 54.800 54.230 0.570 1 1 958 . 8 1 1 A 79 79 ARG CB C 102 33.100 34.070 -0.970 1 1 961 . 8 1 1 A 79 79 ARG N N 102 126.100 122.394 3.706 1 1 963 . 8 1 1 A 80 80 LEU H H 103 9.020 8.483 0.537 1 1 964 . 8 1 1 A 80 80 LEU HA H 103 4.400 4.910 -0.510 1 1 974 . 8 1 1 A 80 80 LEU C C 103 176.100 175.538 0.562 1 1 975 . 8 1 1 A 80 80 LEU CA C 103 54.100 54.228 -0.128 1 1 976 . 8 1 1 A 80 80 LEU CB C 103 42.600 43.880 -1.280 1 1 980 . 8 1 1 A 80 80 LEU N N 103 128.000 127.985 0.015 1 1 981 . 8 1 1 A 81 81 GLU H H 104 8.860 8.736 0.124 1 1 982 . 8 1 1 A 81 81 GLU HA H 104 4.430 4.661 -0.231 1 1 987 . 8 1 1 A 81 81 GLU C C 104 175.800 175.896 -0.096 1 1 988 . 8 1 1 A 81 81 GLU CA C 104 55.500 55.486 0.014 1 1 989 . 8 1 1 A 81 81 GLU CB C 104 32.600 31.877 0.723 1 1 991 . 8 1 1 A 81 81 GLU N N 104 128.600 126.907 1.693 1 1 992 . 8 1 1 A 82 82 ASN H H 105 9.410 8.947 0.463 1 1 993 . 8 1 1 A 82 82 ASN HA H 105 4.200 4.317 -0.117 1 1 998 . 8 1 1 A 82 82 ASN C C 105 174.300 174.934 -0.634 1 1 999 . 8 1 1 A 82 82 ASN CA C 105 54.700 55.482 -0.782 1 1 1000 . 8 1 1 A 82 82 ASN CB C 105 37.200 37.136 0.064 1 1 1002 . 8 1 1 A 82 82 ASN N N 105 124.600 122.545 2.055 1 1 1004 . 8 1 1 A 83 83 ASN H H 106 8.640 8.410 0.230 1 1 1005 . 8 1 1 A 83 83 ASN HA H 106 4.010 4.698 -0.688 1 1 1010 . 8 1 1 A 83 83 ASN C C 106 173.100 173.568 -0.468 1 1 1011 . 8 1 1 A 83 83 ASN CA C 106 54.900 52.972 1.928 1 1 1012 . 8 1 1 A 83 83 ASN CB C 106 38.100 39.924 -1.824 1 1 1014 . 8 1 1 A 83 83 ASN N N 106 108.900 118.455 -9.555 1 1 1016 . 8 1 1 A 84 84 GLU H H 107 7.660 8.220 -0.560 1 1 1017 . 8 1 1 A 84 84 GLU HA H 107 4.660 4.753 -0.093 1 1 1022 . 8 1 1 A 84 84 GLU C C 107 174.300 175.671 -1.371 1 1 1023 . 8 1 1 A 84 84 GLU CA C 107 54.700 54.480 0.220 1 1 1024 . 8 1 1 A 84 84 GLU CB C 107 32.900 33.055 -0.155 1 1 1026 . 8 1 1 A 84 84 GLU N N 107 118.300 117.388 0.912 1 1 1027 . 8 1 1 A 85 85 PHE H H 108 9.690 8.824 0.866 1 1 1028 . 8 1 1 A 85 85 PHE HA H 108 5.000 4.750 0.250 1 1 1035 . 8 1 1 A 85 85 PHE C C 108 174.500 175.857 -1.357 1 1 1036 . 8 1 1 A 85 85 PHE CA C 108 58.600 58.704 -0.104 1 1 1037 . 8 1 1 A 85 85 PHE CB C 108 41.800 40.054 1.746 1 1 1042 . 8 1 1 A 85 85 PHE N N 108 121.100 121.722 -0.622 1 1 1043 . 8 1 1 A 86 86 ASN H H 109 9.180 9.017 0.163 1 1 1044 . 8 1 1 A 86 86 ASN HA H 109 5.580 5.321 0.259 1 1 1049 . 8 1 1 A 86 86 ASN C C 109 175.000 173.479 1.521 1 1 1050 . 8 1 1 A 86 86 ASN CA C 109 51.200 52.108 -0.908 1 1 1051 . 8 1 1 A 86 86 ASN CB C 109 42.100 42.858 -0.758 1 1 1053 . 8 1 1 A 86 86 ASN N N 109 119.400 118.738 0.662 1 1 1055 . 8 1 1 A 87 87 VAL H H 110 9.060 8.758 0.302 1 1 1056 . 8 1 1 A 87 87 VAL HA H 110 4.940 4.980 -0.040 1 1 1064 . 8 1 1 A 87 87 VAL C C 110 171.700 173.631 -1.931 1 1 1065 . 8 1 1 A 87 87 VAL CA C 110 58.400 59.854 -1.454 1 1 1066 . 8 1 1 A 87 87 VAL CB C 110 33.800 34.930 -1.130 1 1 1069 . 8 1 1 A 87 87 VAL N N 110 121.300 120.342 0.958 1 1 1070 . 8 1 1 A 88 88 VAL H H 111 8.640 8.824 -0.184 1 1 1071 . 8 1 1 A 88 88 VAL HA H 111 4.590 4.584 0.006 1 1 1079 . 8 1 1 A 88 88 VAL C C 111 175.700 174.308 1.392 1 1 1080 . 8 1 1 A 88 88 VAL CA C 111 60.100 60.691 -0.591 1 1 1081 . 8 1 1 A 88 88 VAL CB C 111 36.200 35.002 1.198 1 1 1084 . 8 1 1 A 88 88 VAL N N 111 125.500 128.042 -2.542 1 1 1085 . 8 1 1 A 89 89 ASP H H 112 8.480 8.755 -0.275 1 1 1086 . 8 1 1 A 89 89 ASP HA H 112 4.870 5.213 -0.343 1 1 1089 . 8 1 1 A 89 89 ASP C C 112 177.200 175.710 1.490 1 1 1090 . 8 1 1 A 89 89 ASP CA C 112 54.700 52.856 1.844 1 1 1091 . 8 1 1 A 89 89 ASP CB C 112 43.600 43.290 0.310 1 1 1092 . 8 1 1 A 89 89 ASP N N 112 126.600 127.337 -0.737 1 1 1093 . 8 1 1 A 90 90 VAL H H 113 7.980 8.506 -0.526 1 1 1094 . 8 1 1 A 90 90 VAL HA H 113 4.540 4.344 0.196 1 1 1102 . 8 1 1 A 90 90 VAL C C 113 174.400 175.995 -1.595 1 1 1103 . 8 1 1 A 90 90 VAL CA C 113 60.300 61.877 -1.577 1 1 1104 . 8 1 1 A 90 90 VAL CB C 113 29.500 32.778 -3.278 1 1 1107 . 8 1 1 A 90 90 VAL N N 113 119.700 119.873 -0.173 1 1 1108 . 8 1 1 A 91 91 GLY H H 114 8.600 8.603 -0.003 1 1 1109 . 8 1 1 A 91 91 GLY HA2 H 114 4.260 4.009 0.251 1 1 1110 . 8 1 1 A 91 91 GLY HA3 H 114 3.720 4.015 -0.295 1 1 1111 . 8 1 1 A 91 91 GLY C C 114 175.300 173.534 1.766 1 1 1112 . 8 1 1 A 91 91 GLY CA C 114 45.700 44.697 1.003 1 1 1113 . 8 1 1 A 91 91 GLY N N 114 111.300 113.113 -1.813 1 1 1114 . 8 1 1 A 92 92 SER H H 115 9.190 8.268 0.922 1 1 1115 . 8 1 1 A 92 92 SER HA H 115 3.890 4.829 -0.939 1 1 1118 . 8 1 1 A 92 92 SER C C 115 174.500 172.864 1.636 1 1 1119 . 8 1 1 A 92 92 SER CA C 115 58.600 56.829 1.771 1 1 1120 . 8 1 1 A 92 92 SER CB C 115 61.300 63.777 -2.477 1 1 1121 . 8 1 1 A 92 92 SER N N 115 121.000 115.854 5.146 1 1 1122 . 8 1 1 A 93 93 LEU H H 116 7.720 8.529 -0.809 1 1 1123 . 8 1 1 A 93 93 LEU HA H 116 4.250 4.543 -0.293 1 1 1133 . 8 1 1 A 93 93 LEU C C 116 179.100 175.547 3.553 1 1 1134 . 8 1 1 A 93 93 LEU CA C 116 57.200 54.474 2.726 1 1 1135 . 8 1 1 A 93 93 LEU CB C 116 42.100 45.004 -2.904 1 1 1139 . 8 1 1 A 93 93 LEU N N 116 120.500 125.267 -4.767 1 1 1140 . 8 1 1 A 94 94 ASN H H 117 8.450 8.805 -0.355 1 1 1141 . 8 1 1 A 94 94 ASN HA H 117 4.870 4.305 0.565 1 1 1146 . 8 1 1 A 94 94 ASN C C 117 175.800 174.930 0.870 1 1 1147 . 8 1 1 A 94 94 ASN CA C 117 54.000 54.349 -0.349 1 1 1148 . 8 1 1 A 94 94 ASN CB C 117 40.100 36.825 3.275 1 1 1150 . 8 1 1 A 94 94 ASN N N 117 112.500 123.480 -10.980 1 1 1152 . 8 1 1 A 95 95 GLY H H 118 7.940 8.114 -0.174 1 1 1153 . 8 1 1 A 95 95 GLY HA2 H 118 4.190 4.113 0.077 1 1 1154 . 8 1 1 A 95 95 GLY HA3 H 118 3.610 4.170 -0.560 1 1 1155 . 8 1 1 A 95 95 GLY C C 118 174.000 173.293 0.707 1 1 1156 . 8 1 1 A 95 95 GLY CA C 118 44.300 45.108 -0.808 1 1 1157 . 8 1 1 A 95 95 GLY N N 118 109.800 106.690 3.110 1 1 1158 . 8 1 1 A 96 96 THR H H 119 8.940 8.372 0.568 1 1 1159 . 8 1 1 A 96 96 THR HA H 119 3.820 4.184 -0.364 1 1 1165 . 8 1 1 A 96 96 THR C C 119 172.300 173.932 -1.632 1 1 1166 . 8 1 1 A 96 96 THR CA C 119 64.100 63.100 1.000 1 1 1167 . 8 1 1 A 96 96 THR CB C 119 70.200 69.442 0.758 1 1 1169 . 8 1 1 A 96 96 THR N N 119 122.000 113.885 8.115 1 1 1170 . 8 1 1 A 97 97 TYR H H 120 8.220 8.403 -0.183 1 1 1171 . 8 1 1 A 97 97 TYR HA H 120 5.340 5.864 -0.524 1 1 1178 . 8 1 1 A 97 97 TYR C C 120 175.900 173.028 2.872 1 1 1179 . 8 1 1 A 97 97 TYR CA C 120 55.600 55.076 0.524 1 1 1180 . 8 1 1 A 97 97 TYR CB C 120 41.400 41.795 -0.395 1 1 1185 . 8 1 1 A 97 97 TYR N N 120 122.800 123.356 -0.556 1 1 1186 . 8 1 1 A 98 98 VAL H H 121 9.040 8.897 0.143 1 1 1187 . 8 1 1 A 98 98 VAL HA H 121 5.010 4.797 0.213 1 1 1195 . 8 1 1 A 98 98 VAL C C 121 176.900 175.378 1.522 1 1 1196 . 8 1 1 A 98 98 VAL CA C 121 61.100 59.660 1.440 1 1 1197 . 8 1 1 A 98 98 VAL CB C 121 33.000 34.447 -1.447 1 1 1200 . 8 1 1 A 98 98 VAL N N 121 121.400 120.656 0.744 1 1 1201 . 8 1 1 A 99 99 ASN H H 122 10.100 9.011 1.089 1 1 1202 . 8 1 1 A 99 99 ASN HA H 122 4.440 4.485 -0.045 1 1 1207 . 8 1 1 A 99 99 ASN C C 122 174.500 175.452 -0.952 1 1 1208 . 8 1 1 A 99 99 ASN CA C 122 55.000 55.274 -0.274 1 1 1209 . 8 1 1 A 99 99 ASN CB C 122 37.000 37.166 -0.166 1 1 1211 . 8 1 1 A 99 99 ASN N N 122 129.400 127.301 2.099 1 1 1213 . 8 1 1 A 100 100 ARG H H 123 9.290 8.951 0.339 1 1 1214 . 8 1 1 A 100 100 ARG HA H 123 3.680 4.093 -0.413 1 1 1222 . 8 1 1 A 100 100 ARG C C 123 175.200 176.210 -1.010 1 1 1223 . 8 1 1 A 100 100 ARG CA C 123 58.100 57.965 0.135 1 1 1224 . 8 1 1 A 100 100 ARG CB C 123 27.600 29.712 -2.112 1 1 1227 . 8 1 1 A 100 100 ARG N N 123 106.100 121.575 -15.475 1 1 1229 . 8 1 1 A 101 101 GLU H H 124 7.970 7.503 0.467 1 1 1230 . 8 1 1 A 101 101 GLU HA H 124 5.110 4.673 0.437 1 1 1235 . 8 1 1 A 101 101 GLU CA C 124 53.000 53.373 -0.373 1 1 1236 . 8 1 1 A 101 101 GLU CB C 124 30.900 30.355 0.545 1 1 1238 . 8 1 1 A 101 101 GLU N N 124 121.300 120.225 1.075 1 1 1239 . 8 1 1 A 102 102 PRO HA H 125 4.050 5.086 -1.036 1 1 1246 . 8 1 1 A 102 102 PRO C C 125 177.500 176.659 0.841 1 1 1247 . 8 1 1 A 102 102 PRO CA C 125 62.300 62.392 -0.092 1 1 1248 . 8 1 1 A 102 102 PRO CB C 125 31.300 31.852 -0.552 1 1 1251 . 8 1 1 A 103 103 VAL H H 126 8.330 8.217 0.113 1 1 1252 . 8 1 1 A 103 103 VAL HA H 126 4.700 4.847 -0.147 1 1 1260 . 8 1 1 A 103 103 VAL C C 126 174.500 175.536 -1.036 1 1 1261 . 8 1 1 A 103 103 VAL CA C 126 58.900 59.497 -0.597 1 1 1262 . 8 1 1 A 103 103 VAL CB C 126 35.300 35.590 -0.290 1 1 1265 . 8 1 1 A 103 103 VAL N N 126 115.000 117.139 -2.139 1 1 1266 . 8 1 1 A 104 104 ASP H H 127 8.520 8.823 -0.303 1 1 1267 . 8 1 1 A 104 104 ASP HA H 127 4.780 4.536 0.244 1 1 1270 . 8 1 1 A 104 104 ASP C C 127 176.200 176.096 0.104 1 1 1271 . 8 1 1 A 104 104 ASP CA C 127 55.800 56.400 -0.600 1 1 1272 . 8 1 1 A 104 104 ASP CB C 127 41.100 42.299 -1.199 1 1 1273 . 8 1 1 A 104 104 ASP N N 127 120.800 122.724 -1.924 1 1 1274 . 8 1 1 A 105 105 SER H H 128 7.650 7.763 -0.113 1 1 1275 . 8 1 1 A 105 105 SER HA H 128 5.440 4.933 0.507 1 1 1278 . 8 1 1 A 105 105 SER C C 128 173.400 172.771 0.629 1 1 1279 . 8 1 1 A 105 105 SER CA C 128 56.600 57.484 -0.884 1 1 1280 . 8 1 1 A 105 105 SER CB C 128 65.000 65.540 -0.540 1 1 1281 . 8 1 1 A 105 105 SER N N 128 111.500 109.939 1.561 1 1 1282 . 8 1 1 A 106 106 ALA H H 129 8.790 8.143 0.647 1 1 1283 . 8 1 1 A 106 106 ALA HA H 129 4.610 4.794 -0.184 1 1 1287 . 8 1 1 A 106 106 ALA C C 129 175.300 175.583 -0.283 1 1 1288 . 8 1 1 A 106 106 ALA CA C 129 52.100 51.439 0.661 1 1 1289 . 8 1 1 A 106 106 ALA CB C 129 22.600 23.023 -0.423 1 1 1290 . 8 1 1 A 106 106 ALA N N 129 125.100 121.577 3.523 1 1 1291 . 8 1 1 A 107 107 VAL H H 130 8.340 8.688 -0.348 1 1 1292 . 8 1 1 A 107 107 VAL HA H 130 4.160 4.666 -0.506 1 1 1300 . 8 1 1 A 107 107 VAL C C 130 176.300 176.007 0.293 1 1 1301 . 8 1 1 A 107 107 VAL CA C 130 62.600 61.716 0.884 1 1 1302 . 8 1 1 A 107 107 VAL CB C 130 32.000 32.427 -0.427 1 1 1305 . 8 1 1 A 107 107 VAL N N 130 122.800 119.268 3.532 1 1 1306 . 8 1 1 A 108 108 LEU H H 131 8.490 8.529 -0.039 1 1 1307 . 8 1 1 A 108 108 LEU HA H 131 4.370 4.259 0.111 1 1 1317 . 8 1 1 A 108 108 LEU C C 131 175.200 175.949 -0.749 1 1 1318 . 8 1 1 A 108 108 LEU CA C 131 54.200 54.402 -0.202 1 1 1319 . 8 1 1 A 108 108 LEU CB C 131 43.000 41.841 1.159 1 1 1323 . 8 1 1 A 108 108 LEU N N 131 128.900 128.125 0.775 1 1 1324 . 8 1 1 A 109 109 ALA H H 132 9.130 8.928 0.202 1 1 1325 . 8 1 1 A 109 109 ALA HA H 132 4.750 4.892 -0.142 1 1 1329 . 8 1 1 A 109 109 ALA C C 132 176.500 175.935 0.565 1 1 1330 . 8 1 1 A 109 109 ALA CA C 132 49.700 51.131 -1.431 1 1 1331 . 8 1 1 A 109 109 ALA CB C 132 22.400 22.997 -0.597 1 1 1332 . 8 1 1 A 109 109 ALA N N 132 126.000 122.856 3.144 1 1 1333 . 8 1 1 A 110 110 ASN H H 133 8.860 8.898 -0.038 1 1 1334 . 8 1 1 A 110 110 ASN HA H 133 4.430 4.607 -0.177 1 1 1339 . 8 1 1 A 110 110 ASN C C 133 176.400 176.551 -0.151 1 1 1340 . 8 1 1 A 110 110 ASN CA C 133 56.400 55.133 1.267 1 1 1341 . 8 1 1 A 110 110 ASN CB C 133 39.800 38.214 1.586 1 1 1343 . 8 1 1 A 110 110 ASN N N 133 117.600 120.724 -3.124 1 1 1345 . 8 1 1 A 111 111 GLY H H 134 10.100 8.721 1.379 1 1 1346 . 8 1 1 A 111 111 GLY HA2 H 134 4.430 3.966 0.464 1 1 1347 . 8 1 1 A 111 111 GLY HA3 H 134 3.410 3.968 -0.558 1 1 1348 . 8 1 1 A 111 111 GLY C C 134 174.800 174.253 0.547 1 1 1349 . 8 1 1 A 111 111 GLY CA C 134 45.100 45.565 -0.465 1 1 1350 . 8 1 1 A 111 111 GLY N N 134 117.200 114.278 2.922 1 1 1351 . 8 1 1 A 112 112 ASP H H 135 8.640 8.009 0.631 1 1 1352 . 8 1 1 A 112 112 ASP HA H 135 4.430 4.927 -0.497 1 1 1355 . 8 1 1 A 112 112 ASP C C 135 174.700 175.263 -0.563 1 1 1356 . 8 1 1 A 112 112 ASP CA C 135 56.200 53.922 2.278 1 1 1357 . 8 1 1 A 112 112 ASP CB C 135 42.100 42.044 0.056 1 1 1358 . 8 1 1 A 112 112 ASP N N 135 122.900 120.870 2.030 1 1 1359 . 8 1 1 A 113 113 GLU H H 136 8.360 8.675 -0.315 1 1 1360 . 8 1 1 A 113 113 GLU HA H 136 5.220 5.144 0.076 1 1 1365 . 8 1 1 A 113 113 GLU C C 136 176.000 175.681 0.319 1 1 1366 . 8 1 1 A 113 113 GLU CA C 136 54.400 54.980 -0.580 1 1 1367 . 8 1 1 A 113 113 GLU CB C 136 32.900 31.948 0.952 1 1 1369 . 8 1 1 A 113 113 GLU N N 136 119.000 121.305 -2.305 1 1 1370 . 8 1 1 A 114 114 VAL H H 137 9.800 8.995 0.805 1 1 1371 . 8 1 1 A 114 114 VAL HA H 137 5.160 4.880 0.280 1 1 1379 . 8 1 1 A 114 114 VAL C C 137 174.400 174.500 -0.100 1 1 1380 . 8 1 1 A 114 114 VAL CA C 137 60.400 60.947 -0.547 1 1 1381 . 8 1 1 A 114 114 VAL CB C 137 34.300 34.760 -0.460 1 1 1384 . 8 1 1 A 114 114 VAL N N 137 129.000 124.292 4.708 1 1 1385 . 8 1 1 A 115 115 GLN H H 138 9.610 8.901 0.709 1 1 1386 . 8 1 1 A 115 115 GLN HA H 138 5.430 5.218 0.212 1 1 1393 . 8 1 1 A 115 115 GLN C C 138 174.800 174.166 0.634 1 1 1394 . 8 1 1 A 115 115 GLN CA C 138 54.500 54.017 0.483 1 1 1395 . 8 1 1 A 115 115 GLN CB C 138 30.700 31.997 -1.297 1 1 1398 . 8 1 1 A 115 115 GLN N N 138 129.300 127.554 1.746 1 1 1399 . 8 1 1 A 116 116 ILE H H 139 8.400 8.760 -0.360 1 1 1400 . 8 1 1 A 116 116 ILE HA H 139 4.020 4.659 -0.639 1 1 1410 . 8 1 1 A 116 116 ILE C C 139 174.500 176.420 -1.920 1 1 1411 . 8 1 1 A 116 116 ILE CA C 139 60.600 60.066 0.534 1 1 1412 . 8 1 1 A 116 116 ILE CB C 139 40.900 40.555 0.345 1 1 1416 . 8 1 1 A 116 116 ILE N N 139 128.300 126.817 1.483 1 1 1417 . 8 1 1 A 117 117 GLY H H 140 9.650 9.086 0.564 1 1 1418 . 8 1 1 A 117 117 GLY HA2 H 140 3.820 3.895 -0.075 1 1 1419 . 8 1 1 A 117 117 GLY HA3 H 140 3.630 3.950 -0.320 1 1 1420 . 8 1 1 A 117 117 GLY C C 140 175.400 174.837 0.563 1 1 1421 . 8 1 1 A 117 117 GLY CA C 140 46.500 47.420 -0.920 1 1 1422 . 8 1 1 A 117 117 GLY N N 140 116.800 115.603 1.197 1 1 1423 . 8 1 1 A 118 118 LYS H H 141 7.960 8.755 -0.795 1 1 1424 . 8 1 1 A 118 118 LYS HA H 141 4.070 4.526 -0.456 1 1 1433 . 8 1 1 A 118 118 LYS C C 141 175.600 176.608 -1.008 1 1 1434 . 8 1 1 A 118 118 LYS CA C 141 56.700 56.941 -0.241 1 1 1435 . 8 1 1 A 118 118 LYS CB C 141 32.600 35.019 -2.419 1 1 1439 . 8 1 1 A 118 118 LYS N N 141 122.400 126.500 -4.100 1 1 1440 . 8 1 1 A 119 119 PHE H H 142 8.260 7.703 0.557 1 1 1441 . 8 1 1 A 119 119 PHE HA H 142 4.540 4.609 -0.069 1 1 1449 . 8 1 1 A 119 119 PHE C C 142 174.700 176.442 -1.742 1 1 1450 . 8 1 1 A 119 119 PHE CA C 142 58.200 58.785 -0.585 1 1 1451 . 8 1 1 A 119 119 PHE CB C 142 39.900 40.103 -0.203 1 1 1456 . 8 1 1 A 119 119 PHE N N 142 119.500 118.141 1.359 1 1 1457 . 8 1 1 A 120 120 ARG H H 143 8.690 8.734 -0.044 1 1 1458 . 8 1 1 A 120 120 ARG HA H 143 5.020 5.083 -0.063 1 1 1465 . 8 1 1 A 120 120 ARG C C 143 174.800 175.633 -0.833 1 1 1466 . 8 1 1 A 120 120 ARG CA C 143 55.100 55.100 0.000 1 1 1467 . 8 1 1 A 120 120 ARG CB C 143 32.800 33.245 -0.445 1 1 1470 . 8 1 1 A 120 120 ARG N N 143 121.500 121.913 -0.413 1 1 1471 . 8 1 1 A 121 121 LEU H H 144 9.760 8.733 1.027 1 1 1472 . 8 1 1 A 121 121 LEU HA H 144 5.420 5.353 0.067 1 1 1482 . 8 1 1 A 121 121 LEU C C 144 175.000 174.663 0.337 1 1 1483 . 8 1 1 A 121 121 LEU CA C 144 53.900 53.531 0.369 1 1 1484 . 8 1 1 A 121 121 LEU CB C 144 44.900 46.288 -1.388 1 1 1488 . 8 1 1 A 121 121 LEU N N 144 126.400 123.841 2.559 1 1 1489 . 8 1 1 A 122 122 VAL H H 145 9.370 9.059 0.311 1 1 1490 . 8 1 1 A 122 122 VAL HA H 145 5.010 5.055 -0.045 1 1 1498 . 8 1 1 A 122 122 VAL C C 145 173.700 174.023 -0.323 1 1 1499 . 8 1 1 A 122 122 VAL CA C 145 60.800 59.742 1.058 1 1 1500 . 8 1 1 A 122 122 VAL CB C 145 34.300 34.252 0.048 1 1 1503 . 8 1 1 A 122 122 VAL N N 145 121.900 125.277 -3.377 1 1 1504 . 8 1 1 A 123 123 PHE H H 146 8.830 9.452 -0.622 1 1 1505 . 8 1 1 A 123 123 PHE HA H 146 4.980 4.845 0.135 1 1 1513 . 8 1 1 A 123 123 PHE C C 146 172.700 174.144 -1.444 1 1 1514 . 8 1 1 A 123 123 PHE CA C 146 57.100 56.351 0.749 1 1 1515 . 8 1 1 A 123 123 PHE CB C 146 41.100 39.565 1.535 1 1 1521 . 8 1 1 A 123 123 PHE N N 146 128.700 130.455 -1.755 1 1 1522 . 8 1 1 A 124 124 LEU H H 147 8.650 8.378 0.272 1 1 1523 . 8 1 1 A 124 124 LEU HA H 147 5.020 5.055 -0.035 1 1 1533 . 8 1 1 A 124 124 LEU C C 147 175.300 175.880 -0.580 1 1 1534 . 8 1 1 A 124 124 LEU CA C 147 52.600 53.544 -0.944 1 1 1535 . 8 1 1 A 124 124 LEU CB C 147 45.600 46.246 -0.646 1 1 1539 . 8 1 1 A 124 124 LEU N N 147 128.000 128.911 -0.911 1 1 1540 . 8 1 1 A 125 125 THR H H 148 8.300 8.447 -0.147 1 1 1541 . 8 1 1 A 125 125 THR HA H 148 4.330 4.521 -0.191 1 1 1546 . 8 1 1 A 125 125 THR C C 148 173.900 174.429 -0.529 1 1 1547 . 8 1 1 A 125 125 THR CA C 148 60.200 60.191 0.009 1 1 1548 . 8 1 1 A 125 125 THR CB C 148 70.300 71.246 -0.946 1 1 1550 . 8 1 1 A 125 125 THR N N 148 110.600 112.681 -2.081 1 1 1551 . 8 1 1 A 126 126 GLY H H 149 8.310 8.397 -0.087 1 1 1552 . 8 1 1 A 126 126 GLY HA2 H 149 3.840 3.824 0.016 1 1 1553 . 8 1 1 A 126 126 GLY HA3 H 149 3.840 3.839 0.001 1 1 1554 . 8 1 1 A 126 126 GLY CA C 149 45.200 46.019 -0.819 1 1 1555 . 8 1 1 A 126 126 GLY N N 149 109.800 108.570 1.230 1 1 1556 . 8 1 1 A 127 127 HIS H H 150 8.310 8.371 -0.061 1 1 1557 . 8 1 1 A 127 127 HIS HA H 150 4.630 4.734 -0.104 1 1 1562 . 8 1 1 A 127 127 HIS C C 150 174.800 176.140 -1.340 1 1 1563 . 8 1 1 A 127 127 HIS CA C 150 55.900 56.312 -0.412 1 1 1564 . 8 1 1 A 127 127 HIS CB C 150 30.700 30.733 -0.033 1 1 1567 . 8 1 1 A 127 127 HIS N N 150 119.300 124.031 -4.731 1 1 1570 . 8 1 1 A 128 128 LYS H H 151 8.490 8.782 -0.292 1 1 1571 . 8 1 1 A 128 128 LYS HA H 151 4.300 4.317 -0.017 1 1 1580 . 8 1 1 A 128 128 LYS C C 151 176.200 176.596 -0.396 1 1 1581 . 8 1 1 A 128 128 LYS CA C 151 56.100 57.664 -1.564 1 1 1582 . 8 1 1 A 128 128 LYS CB C 151 33.200 33.111 0.089 1 1 1586 . 8 1 1 A 128 128 LYS N N 151 123.800 120.161 3.639 1 1 1587 . 8 1 1 A 129 129 GLN H H 152 8.640 7.911 0.729 1 1 1588 . 8 1 1 A 129 129 GLN HA H 152 4.270 4.603 -0.333 1 1 1595 . 8 1 1 A 129 129 GLN C C 152 176.500 176.625 -0.125 1 1 1596 . 8 1 1 A 129 129 GLN CA C 152 56.400 55.947 0.453 1 1 1597 . 8 1 1 A 129 129 GLN CB C 152 29.500 30.412 -0.912 1 1 1600 . 8 1 1 A 129 129 GLN N N 152 122.900 119.917 2.983 1 1 1602 . 8 1 1 A 130 130 GLY H H 153 8.640 8.484 0.156 1 1 1603 . 8 1 1 A 130 130 GLY HA2 H 153 3.990 3.959 0.031 1 1 1604 . 8 1 1 A 130 130 GLY HA3 H 153 3.910 3.983 -0.073 1 1 1605 . 8 1 1 A 130 130 GLY C C 153 174.100 173.788 0.312 1 1 1606 . 8 1 1 A 130 130 GLY CA C 153 45.400 45.515 -0.115 1 1 1607 . 8 1 1 A 130 130 GLY N N 153 111.100 111.613 -0.513 1 1 1608 . 8 1 1 A 131 131 GLU H H 154 8.220 8.191 0.029 1 1 1609 . 8 1 1 A 131 131 GLU HA H 154 4.260 4.681 -0.421 1 1 1614 . 8 1 1 A 131 131 GLU C C 154 176.100 176.244 -0.144 1 1 1615 . 8 1 1 A 131 131 GLU CA C 154 56.600 55.447 1.153 1 1 1616 . 8 1 1 A 131 131 GLU CB C 154 30.600 30.451 0.149 1 1 1618 . 8 1 1 A 131 131 GLU N N 154 120.500 120.059 0.441 1 1 1619 . 8 1 1 A 132 132 ASP H H 155 8.530 8.864 -0.334 1 1 1620 . 8 1 1 A 132 132 ASP HA H 155 4.560 4.659 -0.099 1 1 1623 . 8 1 1 A 132 132 ASP C C 155 176.300 175.269 1.031 1 1 1624 . 8 1 1 A 132 132 ASP CA C 155 54.300 53.966 0.334 1 1 1625 . 8 1 1 A 132 132 ASP CB C 155 41.000 41.133 -0.133 1 1 1626 . 8 1 1 A 132 132 ASP N N 155 121.300 123.178 -1.878 1 1 1627 . 8 1 1 A 133 133 LEU H H 156 8.230 8.091 0.139 1 1 1628 . 8 1 1 A 133 133 LEU HA H 156 4.200 4.061 0.139 1 1 1638 . 8 1 1 A 133 133 LEU C C 156 177.700 176.518 1.182 1 1 1639 . 8 1 1 A 133 133 LEU CA C 156 55.500 56.498 -0.998 1 1 1640 . 8 1 1 A 133 133 LEU CB C 156 42.100 40.325 1.775 1 1 1644 . 8 1 1 A 133 133 LEU N N 156 122.500 116.285 6.215 1 1 1645 . 8 1 1 A 134 134 GLU H H 157 8.270 8.070 0.200 1 1 1646 . 8 1 1 A 134 134 GLU HA H 157 4.100 4.355 -0.255 1 1 1651 . 8 1 1 A 134 134 GLU C C 157 177.300 177.442 -0.142 1 1 1652 . 8 1 1 A 134 134 GLU CA C 157 56.900 56.374 0.526 1 1 1653 . 8 1 1 A 134 134 GLU CB C 157 30.000 30.462 -0.462 1 1 1655 . 8 1 1 A 134 134 GLU N N 157 119.800 118.255 1.545 1 1 1656 . 8 1 1 A 135 135 HIS H H 158 8.150 7.688 0.462 1 1 1657 . 8 1 1 A 135 135 HIS HA H 158 4.530 4.245 0.285 1 1 1662 . 8 1 1 A 135 135 HIS CA C 158 56.100 58.901 -2.801 1 1 1663 . 8 1 1 A 135 135 HIS CB C 158 30.000 29.597 0.403 1 1 1664 . 8 1 1 A 135 135 HIS N N 158 118.500 116.598 1.902 1 1 1665 . 8 1 1 A 139 139 HIS HA H 162 4.590 4.709 -0.119 1 1 1668 . 8 1 1 A 139 139 HIS C C 162 173.900 173.611 0.289 1 1 1669 . 8 1 1 A 139 139 HIS CA C 162 55.900 55.711 0.189 1 1 1670 . 8 1 1 A 139 139 HIS CB C 162 30.100 33.133 -3.033 1 1 15 . 9 1 1 A 2 2 PHE H H 25 8.640 7.017 1.623 1 1 16 . 9 1 1 A 2 2 PHE HA H 25 4.630 4.309 0.321 1 1 24 . 9 1 1 A 2 2 PHE C C 25 175.000 176.495 -1.495 1 1 25 . 9 1 1 A 2 2 PHE CA C 25 58.000 59.938 -1.938 1 1 26 . 9 1 1 A 2 2 PHE CB C 25 39.700 39.239 0.461 1 1 31 . 9 1 1 A 3 3 ARG H H 26 8.210 7.824 0.386 1 1 32 . 9 1 1 A 3 3 ARG HA H 26 4.200 4.373 -0.173 1 1 40 . 9 1 1 A 3 3 ARG C C 26 175.100 176.051 -0.951 1 1 41 . 9 1 1 A 3 3 ARG CA C 26 55.600 55.967 -0.367 1 1 42 . 9 1 1 A 3 3 ARG CB C 26 31.300 30.682 0.618 1 1 45 . 9 1 1 A 3 3 ARG N N 26 125.000 117.356 7.644 1 1 47 . 9 1 1 A 4 4 ALA H H 27 8.260 8.482 -0.222 1 1 48 . 9 1 1 A 4 4 ALA HA H 27 4.090 4.339 -0.249 1 1 52 . 9 1 1 A 4 4 ALA C C 27 177.300 177.978 -0.678 1 1 53 . 9 1 1 A 4 4 ALA CA C 27 52.800 52.014 0.786 1 1 54 . 9 1 1 A 4 4 ALA CB C 27 19.200 19.904 -0.704 1 1 55 . 9 1 1 A 4 4 ALA N N 27 125.400 124.125 1.275 1 1 56 . 9 1 1 A 5 5 ASP H H 28 8.260 8.927 -0.667 1 1 57 . 9 1 1 A 5 5 ASP HA H 28 4.470 4.579 -0.109 1 1 60 . 9 1 1 A 5 5 ASP C C 28 176.200 175.975 0.225 1 1 61 . 9 1 1 A 5 5 ASP CA C 28 54.500 55.529 -1.029 1 1 62 . 9 1 1 A 5 5 ASP CB C 28 40.700 41.264 -0.564 1 1 63 . 9 1 1 A 5 5 ASP N N 28 118.200 119.410 -1.210 1 1 64 . 9 1 1 A 6 6 PHE H H 29 7.930 7.317 0.613 1 1 65 . 9 1 1 A 6 6 PHE HA H 29 4.510 4.856 -0.346 1 1 73 . 9 1 1 A 6 6 PHE C C 29 175.700 173.870 1.830 1 1 74 . 9 1 1 A 6 6 PHE CA C 29 58.000 56.041 1.959 1 1 75 . 9 1 1 A 6 6 PHE CB C 29 39.300 40.870 -1.570 1 1 81 . 9 1 1 A 6 6 PHE N N 29 119.400 115.167 4.233 1 1 82 . 9 1 1 A 7 7 LEU H H 30 8.000 8.968 -0.968 1 1 83 . 9 1 1 A 7 7 LEU HA H 30 4.210 4.165 0.045 1 1 93 . 9 1 1 A 7 7 LEU C C 30 177.400 177.440 -0.040 1 1 94 . 9 1 1 A 7 7 LEU CA C 30 55.400 55.168 0.232 1 1 95 . 9 1 1 A 7 7 LEU CB C 30 42.200 40.806 1.394 1 1 99 . 9 1 1 A 7 7 LEU N N 30 122.100 121.201 0.899 1 1 100 . 9 1 1 A 8 8 SER H H 31 8.130 8.300 -0.170 1 1 101 . 9 1 1 A 8 8 SER HA H 31 4.330 3.992 0.338 1 1 104 . 9 1 1 A 8 8 SER C C 31 174.900 174.108 0.792 1 1 105 . 9 1 1 A 8 8 SER CA C 31 58.800 59.080 -0.280 1 1 106 . 9 1 1 A 8 8 SER CB C 31 63.800 63.426 0.374 1 1 107 . 9 1 1 A 8 8 SER N N 31 116.000 118.770 -2.770 1 1 108 . 9 1 1 A 9 9 GLU H H 32 8.380 7.811 0.569 1 1 109 . 9 1 1 A 9 9 GLU HA H 32 4.240 4.351 -0.111 1 1 114 . 9 1 1 A 9 9 GLU C C 32 176.600 176.004 0.596 1 1 115 . 9 1 1 A 9 9 GLU CA C 32 57.000 55.364 1.636 1 1 116 . 9 1 1 A 9 9 GLU CB C 32 30.000 30.331 -0.331 1 1 118 . 9 1 1 A 9 9 GLU N N 32 122.200 122.942 -0.742 1 1 119 . 9 1 1 A 10 10 LEU H H 33 7.990 8.610 -0.620 1 1 120 . 9 1 1 A 10 10 LEU HA H 33 4.220 4.040 0.180 1 1 130 . 9 1 1 A 10 10 LEU C C 33 177.100 176.342 0.758 1 1 131 . 9 1 1 A 10 10 LEU CA C 33 55.500 57.104 -1.604 1 1 132 . 9 1 1 A 10 10 LEU CB C 33 42.200 40.700 1.500 1 1 136 . 9 1 1 A 10 10 LEU N N 33 121.200 127.440 -6.240 1 1 137 . 9 1 1 A 11 11 ASP H H 34 8.090 8.737 -0.647 1 1 138 . 9 1 1 A 11 11 ASP HA H 34 4.550 4.823 -0.273 1 1 141 . 9 1 1 A 11 11 ASP C C 34 175.400 176.229 -0.829 1 1 142 . 9 1 1 A 11 11 ASP CA C 34 54.200 55.712 -1.512 1 1 143 . 9 1 1 A 11 11 ASP CB C 34 41.300 40.981 0.319 1 1 144 . 9 1 1 A 11 11 ASP N N 34 120.000 120.174 -0.174 1 1 145 . 9 1 1 A 12 12 ALA H H 35 7.950 7.670 0.280 1 1 146 . 9 1 1 A 12 12 ALA HA H 35 4.510 4.615 -0.105 1 1 150 . 9 1 1 A 12 12 ALA CA C 35 50.800 50.171 0.629 1 1 151 . 9 1 1 A 12 12 ALA CB C 35 18.300 19.075 -0.775 1 1 152 . 9 1 1 A 12 12 ALA N N 35 124.600 119.720 4.880 1 1 153 . 9 1 1 A 13 13 PRO HA H 36 4.360 4.633 -0.273 1 1 160 . 9 1 1 A 13 13 PRO C C 36 176.900 176.063 0.837 1 1 161 . 9 1 1 A 13 13 PRO CA C 36 63.200 62.895 0.305 1 1 162 . 9 1 1 A 13 13 PRO CB C 36 32.000 32.573 -0.573 1 1 165 . 9 1 1 A 14 14 ALA H H 37 8.390 8.434 -0.044 1 1 166 . 9 1 1 A 14 14 ALA HA H 37 4.230 4.719 -0.489 1 1 170 . 9 1 1 A 14 14 ALA C C 37 177.900 176.149 1.751 1 1 171 . 9 1 1 A 14 14 ALA CA C 37 52.600 51.783 0.817 1 1 172 . 9 1 1 A 14 14 ALA CB C 37 19.300 22.716 -3.416 1 1 173 . 9 1 1 A 14 14 ALA N N 37 123.900 121.654 2.246 1 1 174 . 9 1 1 A 15 15 GLN H H 38 8.330 8.425 -0.095 1 1 175 . 9 1 1 A 15 15 GLN HA H 38 4.280 4.290 -0.010 1 1 182 . 9 1 1 A 15 15 GLN C C 38 175.800 175.547 0.253 1 1 183 . 9 1 1 A 15 15 GLN CA C 38 55.700 56.098 -0.398 1 1 184 . 9 1 1 A 15 15 GLN CB C 38 29.600 29.092 0.508 1 1 187 . 9 1 1 A 15 15 GLN N N 38 119.300 122.324 -3.024 1 1 189 . 9 1 1 A 16 16 ALA H H 39 8.410 8.551 -0.141 1 1 190 . 9 1 1 A 16 16 ALA HA H 39 4.070 4.420 -0.350 1 1 194 . 9 1 1 A 16 16 ALA C C 39 178.200 177.830 0.370 1 1 195 . 9 1 1 A 16 16 ALA CA C 39 52.800 52.508 0.292 1 1 196 . 9 1 1 A 16 16 ALA CB C 39 19.300 20.232 -0.932 1 1 197 . 9 1 1 A 16 16 ALA N N 39 125.600 125.745 -0.145 1 1 198 . 9 1 1 A 17 17 GLY H H 40 8.510 8.470 0.040 1 1 199 . 9 1 1 A 17 17 GLY HA2 H 40 4.010 4.109 -0.099 1 1 200 . 9 1 1 A 17 17 GLY HA3 H 40 4.010 4.110 -0.100 1 1 201 . 9 1 1 A 17 17 GLY C C 40 174.600 174.212 0.388 1 1 202 . 9 1 1 A 17 17 GLY CA C 40 45.400 44.557 0.843 1 1 203 . 9 1 1 A 17 17 GLY N N 40 108.500 107.096 1.404 1 1 204 . 9 1 1 A 18 18 THR H H 41 8.020 8.758 -0.738 1 1 205 . 9 1 1 A 18 18 THR HA H 41 4.320 3.884 0.436 1 1 210 . 9 1 1 A 18 18 THR C C 41 174.900 173.371 1.529 1 1 211 . 9 1 1 A 18 18 THR CA C 41 62.100 62.373 -0.273 1 1 212 . 9 1 1 A 18 18 THR CB C 41 69.900 67.385 2.515 1 1 214 . 9 1 1 A 18 18 THR N N 41 112.900 112.709 0.191 1 1 215 . 9 1 1 A 19 19 GLU H H 42 8.630 7.805 0.825 1 1 216 . 9 1 1 A 19 19 GLU HA H 42 4.300 4.862 -0.562 1 1 221 . 9 1 1 A 19 19 GLU C C 42 176.600 175.000 1.600 1 1 222 . 9 1 1 A 19 19 GLU CA C 42 56.900 55.197 1.703 1 1 223 . 9 1 1 A 19 19 GLU CB C 42 30.000 32.886 -2.886 1 1 225 . 9 1 1 A 19 19 GLU N N 42 123.000 118.647 4.353 1 1 226 . 9 1 1 A 20 20 SER H H 43 8.330 9.088 -0.758 1 1 227 . 9 1 1 A 20 20 SER HA H 43 4.400 4.477 -0.077 1 1 230 . 9 1 1 A 20 20 SER C C 43 174.300 174.312 -0.012 1 1 231 . 9 1 1 A 20 20 SER CA C 43 58.500 59.020 -0.520 1 1 232 . 9 1 1 A 20 20 SER CB C 43 63.900 63.766 0.134 1 1 233 . 9 1 1 A 20 20 SER N N 43 116.600 120.905 -4.305 1 1 234 . 9 1 1 A 21 21 ALA H H 44 8.320 8.671 -0.351 1 1 235 . 9 1 1 A 21 21 ALA HA H 44 4.300 4.539 -0.239 1 1 239 . 9 1 1 A 21 21 ALA C C 44 177.700 178.017 -0.317 1 1 240 . 9 1 1 A 21 21 ALA CA C 44 52.700 53.064 -0.364 1 1 241 . 9 1 1 A 21 21 ALA CB C 44 19.300 21.936 -2.636 1 1 242 . 9 1 1 A 21 21 ALA N N 44 126.000 123.886 2.114 1 1 243 . 9 1 1 A 22 22 VAL H H 45 8.040 7.692 0.348 1 1 244 . 9 1 1 A 22 22 VAL HA H 45 4.100 4.359 -0.259 1 1 252 . 9 1 1 A 22 22 VAL C C 45 176.100 176.292 -0.192 1 1 253 . 9 1 1 A 22 22 VAL CA C 45 62.300 60.868 1.432 1 1 254 . 9 1 1 A 22 22 VAL CB C 45 32.700 31.475 1.225 1 1 257 . 9 1 1 A 22 22 VAL N N 45 118.100 113.032 5.068 1 1 258 . 9 1 1 A 23 23 SER H H 46 8.370 7.684 0.686 1 1 259 . 9 1 1 A 23 23 SER HA H 46 4.410 4.413 -0.003 1 1 262 . 9 1 1 A 23 23 SER C C 46 174.900 174.943 -0.043 1 1 263 . 9 1 1 A 23 23 SER CA C 46 58.500 59.191 -0.691 1 1 264 . 9 1 1 A 23 23 SER CB C 46 63.900 64.210 -0.310 1 1 265 . 9 1 1 A 23 23 SER N N 46 119.100 116.955 2.145 1 1 266 . 9 1 1 A 24 24 GLY H H 47 8.370 7.869 0.501 1 1 267 . 9 1 1 A 24 24 GLY HA2 H 47 3.950 4.005 -0.055 1 1 268 . 9 1 1 A 24 24 GLY HA3 H 47 3.950 4.008 -0.058 1 1 269 . 9 1 1 A 24 24 GLY C C 47 174.200 175.302 -1.102 1 1 270 . 9 1 1 A 24 24 GLY CA C 47 45.400 46.437 -1.037 1 1 271 . 9 1 1 A 24 24 GLY N N 47 110.500 109.301 1.199 1 1 272 . 9 1 1 A 25 25 VAL H H 48 7.980 8.044 -0.064 1 1 273 . 9 1 1 A 25 25 VAL HA H 48 4.040 3.933 0.107 1 1 281 . 9 1 1 A 25 25 VAL C C 48 176.100 177.646 -1.546 1 1 282 . 9 1 1 A 25 25 VAL CA C 48 62.200 64.451 -2.251 1 1 283 . 9 1 1 A 25 25 VAL CB C 48 32.500 31.855 0.645 1 1 286 . 9 1 1 A 25 25 VAL N N 48 118.100 117.870 0.230 1 1 287 . 9 1 1 A 26 26 GLU H H 49 8.580 8.253 0.327 1 1 288 . 9 1 1 A 26 26 GLU HA H 49 4.160 4.392 -0.232 1 1 293 . 9 1 1 A 26 26 GLU C C 49 176.900 176.666 0.234 1 1 294 . 9 1 1 A 26 26 GLU CA C 49 57.400 58.290 -0.890 1 1 295 . 9 1 1 A 26 26 GLU CB C 49 29.800 30.943 -1.143 1 1 297 . 9 1 1 A 26 26 GLU N N 49 123.900 121.466 2.434 1 1 298 . 9 1 1 A 27 27 GLY H H 50 8.330 7.870 0.460 1 1 299 . 9 1 1 A 27 27 GLY HA2 H 50 3.890 4.015 -0.125 1 1 300 . 9 1 1 A 27 27 GLY HA3 H 50 3.830 4.021 -0.191 1 1 301 . 9 1 1 A 27 27 GLY C C 50 173.800 173.483 0.317 1 1 302 . 9 1 1 A 27 27 GLY CA C 50 45.200 45.774 -0.574 1 1 303 . 9 1 1 A 27 27 GLY N N 50 109.500 107.367 2.133 1 1 304 . 9 1 1 A 28 28 LEU H H 51 7.770 8.480 -0.710 1 1 305 . 9 1 1 A 28 28 LEU HA H 51 4.470 4.974 -0.504 1 1 315 . 9 1 1 A 28 28 LEU CA C 51 52.800 51.622 1.178 1 1 316 . 9 1 1 A 28 28 LEU CB C 51 42.200 43.126 -0.926 1 1 320 . 9 1 1 A 28 28 LEU N N 51 123.000 122.324 0.676 1 1 321 . 9 1 1 A 29 29 PRO HA H 52 4.660 4.621 0.039 1 1 328 . 9 1 1 A 29 29 PRO CA C 52 61.600 62.102 -0.502 1 1 329 . 9 1 1 A 29 29 PRO CB C 52 30.800 32.314 -1.514 1 1 332 . 9 1 1 A 30 30 PRO HA H 53 4.340 4.268 0.072 1 1 339 . 9 1 1 A 30 30 PRO C C 53 177.500 177.519 -0.019 1 1 340 . 9 1 1 A 30 30 PRO CA C 53 63.500 63.865 -0.365 1 1 341 . 9 1 1 A 30 30 PRO CB C 53 32.000 31.608 0.392 1 1 344 . 9 1 1 A 31 31 GLY H H 54 8.690 8.902 -0.212 1 1 345 . 9 1 1 A 31 31 GLY HA2 H 54 4.060 3.846 0.214 1 1 346 . 9 1 1 A 31 31 GLY HA3 H 54 3.660 3.897 -0.237 1 1 347 . 9 1 1 A 31 31 GLY C C 54 172.900 173.948 -1.048 1 1 348 . 9 1 1 A 31 31 GLY CA C 54 45.400 47.157 -1.757 1 1 349 . 9 1 1 A 31 31 GLY N N 54 110.100 112.332 -2.232 1 1 350 . 9 1 1 A 32 32 LEU H H 55 7.510 7.844 -0.334 1 1 351 . 9 1 1 A 32 32 LEU HA H 55 4.960 4.995 -0.035 1 1 361 . 9 1 1 A 32 32 LEU C C 55 175.400 174.402 0.998 1 1 362 . 9 1 1 A 32 32 LEU CA C 55 54.100 54.232 -0.132 1 1 363 . 9 1 1 A 32 32 LEU CB C 55 44.400 46.303 -1.903 1 1 367 . 9 1 1 A 32 32 LEU N N 55 119.300 121.095 -1.795 1 1 368 . 9 1 1 A 33 33 ALA H H 56 7.840 8.580 -0.740 1 1 369 . 9 1 1 A 33 33 ALA HA H 56 4.500 5.004 -0.504 1 1 373 . 9 1 1 A 33 33 ALA C C 56 178.200 175.217 2.983 1 1 374 . 9 1 1 A 33 33 ALA CA C 56 51.100 49.921 1.179 1 1 375 . 9 1 1 A 33 33 ALA CB C 56 23.900 23.450 0.450 1 1 376 . 9 1 1 A 33 33 ALA N N 56 121.800 126.508 -4.708 1 1 377 . 9 1 1 A 34 34 LEU H H 57 8.640 8.234 0.406 1 1 378 . 9 1 1 A 34 34 LEU HA H 57 4.930 5.126 -0.196 1 1 388 . 9 1 1 A 34 34 LEU C C 57 174.400 175.639 -1.239 1 1 389 . 9 1 1 A 34 34 LEU CA C 57 53.400 53.553 -0.153 1 1 390 . 9 1 1 A 34 34 LEU CB C 57 47.300 45.489 1.811 1 1 394 . 9 1 1 A 34 34 LEU N N 57 119.200 118.743 0.457 1 1 395 . 9 1 1 A 35 35 LEU H H 58 8.640 8.921 -0.281 1 1 396 . 9 1 1 A 35 35 LEU HA H 58 5.440 5.315 0.125 1 1 406 . 9 1 1 A 35 35 LEU C C 58 176.200 175.829 0.371 1 1 407 . 9 1 1 A 35 35 LEU CA C 58 52.600 53.305 -0.705 1 1 408 . 9 1 1 A 35 35 LEU CB C 58 46.000 44.549 1.451 1 1 412 . 9 1 1 A 35 35 LEU N N 58 119.400 122.157 -2.757 1 1 413 . 9 1 1 A 36 36 VAL H H 59 8.960 8.941 0.019 1 1 414 . 9 1 1 A 36 36 VAL HA H 59 4.860 4.735 0.125 1 1 422 . 9 1 1 A 36 36 VAL C C 59 176.400 175.071 1.329 1 1 423 . 9 1 1 A 36 36 VAL CA C 59 59.900 60.102 -0.202 1 1 424 . 9 1 1 A 36 36 VAL CB C 59 34.600 34.826 -0.226 1 1 427 . 9 1 1 A 36 36 VAL N N 59 120.700 123.243 -2.543 1 1 428 . 9 1 1 A 37 37 VAL H H 60 8.830 8.642 0.188 1 1 429 . 9 1 1 A 37 37 VAL HA H 60 4.170 4.212 -0.042 1 1 437 . 9 1 1 A 37 37 VAL C C 60 176.000 175.609 0.391 1 1 438 . 9 1 1 A 37 37 VAL CA C 60 63.900 63.809 0.091 1 1 439 . 9 1 1 A 37 37 VAL CB C 60 31.400 31.958 -0.558 1 1 442 . 9 1 1 A 37 37 VAL N N 60 125.700 127.094 -1.394 1 1 443 . 9 1 1 A 38 38 LYS H H 61 9.400 8.790 0.610 1 1 444 . 9 1 1 A 38 38 LYS HA H 61 4.450 4.330 0.120 1 1 453 . 9 1 1 A 38 38 LYS C C 61 176.000 176.789 -0.789 1 1 454 . 9 1 1 A 38 38 LYS CA C 61 56.900 58.235 -1.335 1 1 455 . 9 1 1 A 38 38 LYS CB C 61 34.200 32.835 1.365 1 1 459 . 9 1 1 A 38 38 LYS N N 61 131.900 127.101 4.799 1 1 460 . 9 1 1 A 39 39 ARG H H 62 7.990 7.714 0.276 1 1 461 . 9 1 1 A 39 39 ARG HA H 62 4.700 4.849 -0.149 1 1 469 . 9 1 1 A 39 39 ARG C C 62 173.600 175.363 -1.763 1 1 470 . 9 1 1 A 39 39 ARG CA C 62 55.100 54.467 0.633 1 1 471 . 9 1 1 A 39 39 ARG CB C 62 34.100 33.967 0.133 1 1 474 . 9 1 1 A 39 39 ARG N N 62 117.300 116.980 0.320 1 1 476 . 9 1 1 A 40 40 GLY H H 63 8.480 8.373 0.107 1 1 477 . 9 1 1 A 40 40 GLY HA2 H 63 4.290 4.175 0.115 1 1 478 . 9 1 1 A 40 40 GLY HA3 H 63 3.580 4.284 -0.704 1 1 479 . 9 1 1 A 40 40 GLY CA C 63 43.800 44.791 -0.991 1 1 480 . 9 1 1 A 40 40 GLY N N 63 110.800 109.339 1.461 1 1 481 . 9 1 1 A 41 41 PRO HA H 64 4.300 4.461 -0.161 1 1 488 . 9 1 1 A 41 41 PRO C C 64 175.900 178.258 -2.358 1 1 489 . 9 1 1 A 41 41 PRO CA C 64 64.400 64.608 -0.208 1 1 490 . 9 1 1 A 41 41 PRO CB C 64 31.500 32.032 -0.532 1 1 493 . 9 1 1 A 42 42 ASN H H 65 8.310 8.164 0.146 1 1 494 . 9 1 1 A 42 42 ASN HA H 65 4.770 4.714 0.056 1 1 499 . 9 1 1 A 42 42 ASN C C 65 177.500 175.824 1.676 1 1 500 . 9 1 1 A 42 42 ASN CA C 65 52.100 55.662 -3.562 1 1 501 . 9 1 1 A 42 42 ASN CB C 65 36.700 38.603 -1.903 1 1 503 . 9 1 1 A 42 42 ASN N N 65 114.500 115.300 -0.800 1 1 505 . 9 1 1 A 43 43 ALA H H 66 7.470 8.099 -0.629 1 1 506 . 9 1 1 A 43 43 ALA HA H 66 3.690 4.185 -0.495 1 1 510 . 9 1 1 A 43 43 ALA C C 66 177.800 177.105 0.695 1 1 511 . 9 1 1 A 43 43 ALA CA C 66 54.200 53.222 0.978 1 1 512 . 9 1 1 A 43 43 ALA CB C 66 17.700 18.560 -0.860 1 1 513 . 9 1 1 A 43 43 ALA N N 66 122.100 120.577 1.523 1 1 514 . 9 1 1 A 44 44 GLY H H 67 9.120 8.771 0.349 1 1 515 . 9 1 1 A 44 44 GLY HA2 H 67 4.440 3.998 0.442 1 1 516 . 9 1 1 A 44 44 GLY HA3 H 67 3.490 4.003 -0.513 1 1 517 . 9 1 1 A 44 44 GLY C C 67 174.900 174.289 0.611 1 1 518 . 9 1 1 A 44 44 GLY CA C 67 44.600 44.948 -0.348 1 1 519 . 9 1 1 A 44 44 GLY N N 67 111.800 111.367 0.433 1 1 520 . 9 1 1 A 45 45 SER H H 68 8.090 7.961 0.129 1 1 521 . 9 1 1 A 45 45 SER HA H 68 4.280 4.351 -0.071 1 1 524 . 9 1 1 A 45 45 SER C C 68 171.500 173.802 -2.302 1 1 525 . 9 1 1 A 45 45 SER CA C 68 60.500 59.258 1.242 1 1 526 . 9 1 1 A 45 45 SER CB C 68 63.800 63.602 0.198 1 1 527 . 9 1 1 A 45 45 SER N N 68 117.400 117.700 -0.300 1 1 528 . 9 1 1 A 46 46 ARG H H 69 8.120 8.589 -0.469 1 1 529 . 9 1 1 A 46 46 ARG HA H 69 5.140 5.173 -0.033 1 1 537 . 9 1 1 A 46 46 ARG C C 69 174.600 173.645 0.955 1 1 538 . 9 1 1 A 46 46 ARG CA C 69 54.200 54.088 0.112 1 1 539 . 9 1 1 A 46 46 ARG CB C 69 33.900 33.959 -0.059 1 1 542 . 9 1 1 A 46 46 ARG N N 69 119.800 120.950 -1.150 1 1 544 . 9 1 1 A 47 47 PHE H H 70 9.180 8.547 0.633 1 1 545 . 9 1 1 A 47 47 PHE HA H 70 4.720 5.012 -0.292 1 1 553 . 9 1 1 A 47 47 PHE C C 70 173.900 174.732 -0.832 1 1 554 . 9 1 1 A 47 47 PHE CA C 70 56.400 56.608 -0.208 1 1 555 . 9 1 1 A 47 47 PHE CB C 70 41.500 43.214 -1.714 1 1 561 . 9 1 1 A 47 47 PHE N N 70 120.800 118.126 2.674 1 1 562 . 9 1 1 A 48 48 LEU H H 71 8.720 9.081 -0.361 1 1 563 . 9 1 1 A 48 48 LEU HA H 71 4.450 5.041 -0.591 1 1 573 . 9 1 1 A 48 48 LEU C C 71 176.300 175.252 1.048 1 1 574 . 9 1 1 A 48 48 LEU CA C 71 54.900 52.935 1.965 1 1 575 . 9 1 1 A 48 48 LEU CB C 71 43.200 44.200 -1.000 1 1 579 . 9 1 1 A 48 48 LEU N N 71 125.300 119.092 6.208 1 1 580 . 9 1 1 A 49 49 LEU H H 72 8.730 8.769 -0.039 1 1 581 . 9 1 1 A 49 49 LEU HA H 72 4.770 4.737 0.033 1 1 591 . 9 1 1 A 49 49 LEU C C 72 174.800 177.066 -2.266 1 1 592 . 9 1 1 A 49 49 LEU CA C 72 53.200 53.990 -0.790 1 1 593 . 9 1 1 A 49 49 LEU CB C 72 40.900 42.085 -1.185 1 1 597 . 9 1 1 A 49 49 LEU N N 72 126.900 122.473 4.427 1 1 598 . 9 1 1 A 50 50 ASP H H 73 8.350 8.592 -0.242 1 1 599 . 9 1 1 A 50 50 ASP HA H 73 4.790 4.901 -0.111 1 1 602 . 9 1 1 A 50 50 ASP C C 73 175.600 176.202 -0.602 1 1 603 . 9 1 1 A 50 50 ASP CA C 73 53.000 53.263 -0.263 1 1 604 . 9 1 1 A 50 50 ASP CB C 73 41.400 39.711 1.689 1 1 605 . 9 1 1 A 50 50 ASP N N 73 120.400 122.327 -1.927 1 1 606 . 9 1 1 A 51 51 GLN H H 74 7.670 8.292 -0.622 1 1 607 . 9 1 1 A 51 51 GLN HA H 74 4.660 4.292 0.368 1 1 614 . 9 1 1 A 51 51 GLN C C 74 175.400 175.322 0.078 1 1 615 . 9 1 1 A 51 51 GLN CA C 74 53.700 58.052 -4.352 1 1 616 . 9 1 1 A 51 51 GLN CB C 74 31.300 27.417 3.883 1 1 619 . 9 1 1 A 51 51 GLN N N 74 116.200 115.649 0.551 1 1 621 . 9 1 1 A 52 52 ALA H H 75 8.720 8.749 -0.029 1 1 622 . 9 1 1 A 52 52 ALA HA H 75 4.170 3.969 0.201 1 1 626 . 9 1 1 A 52 52 ALA C C 75 178.300 176.055 2.245 1 1 627 . 9 1 1 A 52 52 ALA CA C 75 55.700 54.266 1.434 1 1 628 . 9 1 1 A 52 52 ALA CB C 75 18.500 17.766 0.734 1 1 629 . 9 1 1 A 52 52 ALA N N 75 123.200 121.107 2.093 1 1 630 . 9 1 1 A 53 53 ILE H H 76 8.030 8.477 -0.447 1 1 631 . 9 1 1 A 53 53 ILE HA H 76 4.650 4.903 -0.253 1 1 641 . 9 1 1 A 53 53 ILE C C 76 175.100 175.246 -0.146 1 1 642 . 9 1 1 A 53 53 ILE CA C 76 61.100 60.750 0.350 1 1 643 . 9 1 1 A 53 53 ILE CB C 76 40.500 40.180 0.320 1 1 647 . 9 1 1 A 53 53 ILE N N 76 115.400 120.388 -4.988 1 1 648 . 9 1 1 A 54 54 THR H H 77 8.840 9.134 -0.294 1 1 649 . 9 1 1 A 54 54 THR HA H 77 4.940 4.950 -0.010 1 1 654 . 9 1 1 A 54 54 THR C C 77 174.600 174.822 -0.222 1 1 655 . 9 1 1 A 54 54 THR CA C 77 61.400 61.492 -0.092 1 1 656 . 9 1 1 A 54 54 THR CB C 77 70.300 70.450 -0.150 1 1 658 . 9 1 1 A 54 54 THR N N 77 125.300 124.876 0.424 1 1 659 . 9 1 1 A 55 55 SER H H 78 10.690 8.952 1.738 1 1 660 . 9 1 1 A 55 55 SER HA H 78 4.720 4.754 -0.034 1 1 663 . 9 1 1 A 55 55 SER C C 78 172.600 174.733 -2.133 1 1 664 . 9 1 1 A 55 55 SER CA C 78 57.800 57.624 0.176 1 1 665 . 9 1 1 A 55 55 SER CB C 78 65.200 64.715 0.485 1 1 666 . 9 1 1 A 55 55 SER N N 78 126.300 121.651 4.649 1 1 667 . 9 1 1 A 56 56 ALA H H 79 8.840 7.980 0.860 1 1 668 . 9 1 1 A 56 56 ALA HA H 79 5.720 4.630 1.090 1 1 672 . 9 1 1 A 56 56 ALA C C 79 175.800 178.003 -2.203 1 1 673 . 9 1 1 A 56 56 ALA CA C 79 49.800 50.882 -1.082 1 1 674 . 9 1 1 A 56 56 ALA CB C 79 21.900 20.930 0.970 1 1 675 . 9 1 1 A 56 56 ALA N N 79 123.200 124.036 -0.836 1 1 676 . 9 1 1 A 57 57 GLY H H 80 8.410 8.585 -0.175 1 1 677 . 9 1 1 A 57 57 GLY HA2 H 80 4.400 3.764 0.636 1 1 678 . 9 1 1 A 57 57 GLY HA3 H 80 3.970 3.843 0.127 1 1 679 . 9 1 1 A 57 57 GLY C C 80 174.800 173.635 1.165 1 1 680 . 9 1 1 A 57 57 GLY CA C 80 46.300 47.124 -0.824 1 1 681 . 9 1 1 A 57 57 GLY N N 80 108.700 107.358 1.342 1 1 682 . 9 1 1 A 58 58 ARG H H 81 8.330 8.460 -0.130 1 1 683 . 9 1 1 A 58 58 ARG HA H 81 4.440 4.864 -0.424 1 1 690 . 9 1 1 A 58 58 ARG C C 81 176.400 175.115 1.285 1 1 691 . 9 1 1 A 58 58 ARG CA C 81 54.700 55.340 -0.640 1 1 692 . 9 1 1 A 58 58 ARG CB C 81 32.300 32.312 -0.012 1 1 695 . 9 1 1 A 58 58 ARG N N 81 120.400 124.977 -4.577 1 1 696 . 9 1 1 A 59 59 HIS H H 82 9.040 8.804 0.236 1 1 697 . 9 1 1 A 59 59 HIS HA H 82 4.280 4.998 -0.718 1 1 702 . 9 1 1 A 59 59 HIS CA C 82 56.800 54.856 1.944 1 1 703 . 9 1 1 A 59 59 HIS CB C 82 30.900 33.429 -2.529 1 1 705 . 9 1 1 A 59 59 HIS N N 82 124.300 124.671 -0.371 1 1 708 . 9 1 1 A 60 60 PRO HA H 83 3.640 4.252 -0.612 1 1 715 . 9 1 1 A 60 60 PRO C C 83 177.000 176.951 0.049 1 1 716 . 9 1 1 A 60 60 PRO CA C 83 64.800 63.645 1.155 1 1 717 . 9 1 1 A 60 60 PRO CB C 83 31.700 32.079 -0.379 1 1 720 . 9 1 1 A 61 61 ASP H H 84 11.140 8.971 2.169 1 1 721 . 9 1 1 A 61 61 ASP HA H 84 4.700 4.479 0.221 1 1 724 . 9 1 1 A 61 61 ASP C C 84 177.400 175.677 1.723 1 1 725 . 9 1 1 A 61 61 ASP CA C 84 53.900 55.792 -1.892 1 1 726 . 9 1 1 A 61 61 ASP CB C 84 40.500 40.513 -0.013 1 1 727 . 9 1 1 A 61 61 ASP N N 84 121.600 122.112 -0.512 1 1 728 . 9 1 1 A 62 62 SER H H 85 8.190 7.576 0.614 1 1 729 . 9 1 1 A 62 62 SER HA H 85 4.030 4.452 -0.422 1 1 733 . 9 1 1 A 62 62 SER C C 85 173.400 174.939 -1.539 1 1 734 . 9 1 1 A 62 62 SER CA C 85 60.400 58.100 2.300 1 1 735 . 9 1 1 A 62 62 SER CB C 85 65.200 64.283 0.917 1 1 736 . 9 1 1 A 62 62 SER N N 85 118.100 115.898 2.202 1 1 737 . 9 1 1 A 63 63 ASP H H 86 8.270 8.894 -0.624 1 1 738 . 9 1 1 A 63 63 ASP HA H 86 4.390 4.506 -0.116 1 1 741 . 9 1 1 A 63 63 ASP C C 86 177.200 177.207 -0.007 1 1 742 . 9 1 1 A 63 63 ASP CA C 86 58.300 57.731 0.569 1 1 743 . 9 1 1 A 63 63 ASP CB C 86 42.100 41.331 0.769 1 1 744 . 9 1 1 A 63 63 ASP N N 86 125.600 126.160 -0.560 1 1 745 . 9 1 1 A 64 64 ILE H H 87 8.470 7.771 0.699 1 1 746 . 9 1 1 A 64 64 ILE HA H 87 3.560 3.416 0.144 1 1 756 . 9 1 1 A 64 64 ILE C C 87 172.900 175.037 -2.137 1 1 757 . 9 1 1 A 64 64 ILE CA C 87 60.500 60.752 -0.252 1 1 758 . 9 1 1 A 64 64 ILE CB C 87 37.400 38.321 -0.921 1 1 762 . 9 1 1 A 64 64 ILE N N 87 119.500 119.416 0.084 1 1 763 . 9 1 1 A 65 65 PHE H H 88 8.100 8.543 -0.443 1 1 764 . 9 1 1 A 65 65 PHE HA H 88 5.010 5.127 -0.117 1 1 772 . 9 1 1 A 65 65 PHE C C 88 174.000 173.585 0.415 1 1 773 . 9 1 1 A 65 65 PHE CA C 88 55.600 56.106 -0.506 1 1 774 . 9 1 1 A 65 65 PHE CB C 88 38.800 40.345 -1.545 1 1 779 . 9 1 1 A 65 65 PHE N N 88 127.100 128.076 -0.976 1 1 780 . 9 1 1 A 66 66 LEU H H 89 7.710 8.422 -0.712 1 1 781 . 9 1 1 A 66 66 LEU HA H 89 3.620 4.525 -0.905 1 1 791 . 9 1 1 A 66 66 LEU C C 89 173.500 174.417 -0.917 1 1 792 . 9 1 1 A 66 66 LEU CA C 89 52.100 53.511 -1.411 1 1 793 . 9 1 1 A 66 66 LEU CB C 89 41.300 41.502 -0.202 1 1 797 . 9 1 1 A 66 66 LEU N N 89 131.900 129.185 2.715 1 1 798 . 9 1 1 A 67 67 ASP H H 90 7.980 8.376 -0.396 1 1 799 . 9 1 1 A 67 67 ASP HA H 90 4.260 4.943 -0.683 1 1 802 . 9 1 1 A 67 67 ASP C C 90 174.800 174.609 0.191 1 1 803 . 9 1 1 A 67 67 ASP CA C 90 53.100 53.069 0.031 1 1 804 . 9 1 1 A 67 67 ASP CB C 90 39.900 40.300 -0.400 1 1 805 . 9 1 1 A 67 67 ASP N N 90 120.000 124.191 -4.191 1 1 806 . 9 1 1 A 68 68 ASP H H 91 7.480 8.404 -0.924 1 1 807 . 9 1 1 A 68 68 ASP HA H 91 4.850 5.131 -0.281 1 1 810 . 9 1 1 A 68 68 ASP C C 91 175.600 175.069 0.531 1 1 811 . 9 1 1 A 68 68 ASP CA C 91 54.900 52.907 1.993 1 1 812 . 9 1 1 A 68 68 ASP CB C 91 48.500 43.830 4.670 1 1 813 . 9 1 1 A 68 68 ASP N N 91 121.400 121.689 -0.289 1 1 814 . 9 1 1 A 69 69 VAL H H 92 8.370 8.525 -0.155 1 1 815 . 9 1 1 A 69 69 VAL HA H 92 4.060 3.812 0.248 1 1 823 . 9 1 1 A 69 69 VAL C C 92 175.900 177.082 -1.182 1 1 824 . 9 1 1 A 69 69 VAL CA C 92 64.800 63.020 1.780 1 1 825 . 9 1 1 A 69 69 VAL CB C 92 31.700 32.409 -0.709 1 1 828 . 9 1 1 A 69 69 VAL N N 92 121.900 119.479 2.421 1 1 829 . 9 1 1 A 70 70 THR H H 93 8.360 8.894 -0.534 1 1 830 . 9 1 1 A 70 70 THR HA H 93 4.060 4.227 -0.167 1 1 836 . 9 1 1 A 70 70 THR C C 93 175.100 173.270 1.830 1 1 837 . 9 1 1 A 70 70 THR CA C 93 63.700 63.830 -0.130 1 1 838 . 9 1 1 A 70 70 THR CB C 93 70.300 66.832 3.468 1 1 840 . 9 1 1 A 70 70 THR N N 93 111.100 119.673 -8.573 1 1 841 . 9 1 1 A 71 71 VAL H H 94 8.240 7.443 0.797 1 1 842 . 9 1 1 A 71 71 VAL HA H 94 4.520 4.442 0.078 1 1 850 . 9 1 1 A 71 71 VAL C C 94 176.800 175.854 0.946 1 1 851 . 9 1 1 A 71 71 VAL CA C 94 61.200 60.726 0.474 1 1 852 . 9 1 1 A 71 71 VAL CB C 94 33.500 34.242 -0.742 1 1 855 . 9 1 1 A 71 71 VAL N N 94 125.500 123.940 1.560 1 1 856 . 9 1 1 A 72 72 SER H H 95 11.410 8.962 2.448 1 1 857 . 9 1 1 A 72 72 SER HA H 95 4.670 4.869 -0.199 1 1 860 . 9 1 1 A 72 72 SER C C 95 174.500 175.660 -1.160 1 1 861 . 9 1 1 A 72 72 SER CA C 95 60.600 56.985 3.615 1 1 862 . 9 1 1 A 72 72 SER CB C 95 64.200 64.104 0.096 1 1 863 . 9 1 1 A 72 72 SER N N 95 126.800 122.316 4.484 1 1 864 . 9 1 1 A 73 73 ARG H H 96 9.260 8.482 0.778 1 1 865 . 9 1 1 A 73 73 ARG HA H 96 3.770 4.202 -0.432 1 1 873 . 9 1 1 A 73 73 ARG C C 96 176.600 176.820 -0.220 1 1 874 . 9 1 1 A 73 73 ARG CA C 96 61.300 58.752 2.548 1 1 875 . 9 1 1 A 73 73 ARG CB C 96 29.800 30.657 -0.857 1 1 878 . 9 1 1 A 73 73 ARG N N 96 124.600 119.120 5.480 1 1 880 . 9 1 1 A 74 74 ARG H H 97 7.800 7.365 0.435 1 1 881 . 9 1 1 A 74 74 ARG HA H 97 4.440 4.902 -0.462 1 1 889 . 9 1 1 A 74 74 ARG C C 97 173.100 176.085 -2.985 1 1 890 . 9 1 1 A 74 74 ARG CA C 97 54.800 54.529 0.271 1 1 891 . 9 1 1 A 74 74 ARG CB C 97 29.300 30.118 -0.818 1 1 894 . 9 1 1 A 74 74 ARG N N 97 114.800 114.971 -0.171 1 1 896 . 9 1 1 A 75 75 HIS H H 98 7.840 8.593 -0.753 1 1 897 . 9 1 1 A 75 75 HIS HA H 98 4.430 4.229 0.201 1 1 903 . 9 1 1 A 75 75 HIS C C 98 173.800 174.391 -0.591 1 1 904 . 9 1 1 A 75 75 HIS CA C 98 57.800 59.861 -2.061 1 1 905 . 9 1 1 A 75 75 HIS CB C 98 35.000 30.060 4.940 1 1 908 . 9 1 1 A 75 75 HIS N N 98 124.400 121.691 2.709 1 1 910 . 9 1 1 A 76 76 ALA H H 99 8.490 7.678 0.812 1 1 911 . 9 1 1 A 76 76 ALA HA H 99 5.580 4.531 1.049 1 1 915 . 9 1 1 A 76 76 ALA C C 99 176.500 174.773 1.727 1 1 916 . 9 1 1 A 76 76 ALA CA C 99 50.300 50.484 -0.184 1 1 917 . 9 1 1 A 76 76 ALA CB C 99 23.200 23.051 0.149 1 1 918 . 9 1 1 A 76 76 ALA N N 99 116.600 118.146 -1.546 1 1 919 . 9 1 1 A 77 77 GLU H H 100 9.030 8.243 0.787 1 1 920 . 9 1 1 A 77 77 GLU HA H 100 5.030 4.831 0.199 1 1 925 . 9 1 1 A 77 77 GLU C C 100 174.100 174.287 -0.187 1 1 926 . 9 1 1 A 77 77 GLU CA C 100 54.500 55.035 -0.535 1 1 927 . 9 1 1 A 77 77 GLU CB C 100 34.900 33.620 1.280 1 1 929 . 9 1 1 A 77 77 GLU N N 100 118.100 120.083 -1.983 1 1 930 . 9 1 1 A 78 78 PHE H H 101 9.400 8.644 0.756 1 1 931 . 9 1 1 A 78 78 PHE HA H 101 5.400 5.514 -0.114 1 1 939 . 9 1 1 A 78 78 PHE C C 101 176.500 174.607 1.893 1 1 940 . 9 1 1 A 78 78 PHE CA C 101 56.700 56.505 0.195 1 1 941 . 9 1 1 A 78 78 PHE CB C 101 41.000 41.997 -0.997 1 1 946 . 9 1 1 A 78 78 PHE N N 101 119.600 123.920 -4.320 1 1 947 . 9 1 1 A 79 79 ARG H H 102 9.720 8.739 0.981 1 1 948 . 9 1 1 A 79 79 ARG HA H 102 5.490 5.063 0.427 1 1 956 . 9 1 1 A 79 79 ARG C C 102 174.300 174.072 0.228 1 1 957 . 9 1 1 A 79 79 ARG CA C 102 54.800 54.332 0.468 1 1 958 . 9 1 1 A 79 79 ARG CB C 102 33.100 34.047 -0.947 1 1 961 . 9 1 1 A 79 79 ARG N N 102 126.100 122.222 3.878 1 1 963 . 9 1 1 A 80 80 LEU H H 103 9.020 8.748 0.272 1 1 964 . 9 1 1 A 80 80 LEU HA H 103 4.400 4.821 -0.421 1 1 974 . 9 1 1 A 80 80 LEU C C 103 176.100 175.483 0.617 1 1 975 . 9 1 1 A 80 80 LEU CA C 103 54.100 54.162 -0.062 1 1 976 . 9 1 1 A 80 80 LEU CB C 103 42.600 43.978 -1.378 1 1 980 . 9 1 1 A 80 80 LEU N N 103 128.000 127.595 0.405 1 1 981 . 9 1 1 A 81 81 GLU H H 104 8.860 8.439 0.421 1 1 982 . 9 1 1 A 81 81 GLU HA H 104 4.430 4.426 0.004 1 1 987 . 9 1 1 A 81 81 GLU C C 104 175.800 176.658 -0.858 1 1 988 . 9 1 1 A 81 81 GLU CA C 104 55.500 55.663 -0.163 1 1 989 . 9 1 1 A 81 81 GLU CB C 104 32.600 29.669 2.931 1 1 991 . 9 1 1 A 81 81 GLU N N 104 128.600 126.323 2.277 1 1 992 . 9 1 1 A 82 82 ASN H H 105 9.410 8.522 0.888 1 1 993 . 9 1 1 A 82 82 ASN HA H 105 4.200 4.463 -0.263 1 1 998 . 9 1 1 A 82 82 ASN C C 105 174.300 176.198 -1.898 1 1 999 . 9 1 1 A 82 82 ASN CA C 105 54.700 55.999 -1.299 1 1 1000 . 9 1 1 A 82 82 ASN CB C 105 37.200 38.791 -1.591 1 1 1002 . 9 1 1 A 82 82 ASN N N 105 124.600 120.436 4.164 1 1 1004 . 9 1 1 A 83 83 ASN H H 106 8.640 7.660 0.980 1 1 1005 . 9 1 1 A 83 83 ASN HA H 106 4.010 4.834 -0.824 1 1 1010 . 9 1 1 A 83 83 ASN C C 106 173.100 174.447 -1.347 1 1 1011 . 9 1 1 A 83 83 ASN CA C 106 54.900 52.482 2.418 1 1 1012 . 9 1 1 A 83 83 ASN CB C 106 38.100 39.163 -1.063 1 1 1014 . 9 1 1 A 83 83 ASN N N 106 108.900 112.512 -3.612 1 1 1016 . 9 1 1 A 84 84 GLU H H 107 7.660 7.670 -0.010 1 1 1017 . 9 1 1 A 84 84 GLU HA H 107 4.660 4.545 0.115 1 1 1022 . 9 1 1 A 84 84 GLU C C 107 174.300 175.389 -1.089 1 1 1023 . 9 1 1 A 84 84 GLU CA C 107 54.700 54.404 0.296 1 1 1024 . 9 1 1 A 84 84 GLU CB C 107 32.900 33.564 -0.664 1 1 1026 . 9 1 1 A 84 84 GLU N N 107 118.300 119.511 -1.211 1 1 1027 . 9 1 1 A 85 85 PHE H H 108 9.690 8.658 1.032 1 1 1028 . 9 1 1 A 85 85 PHE HA H 108 5.000 4.764 0.236 1 1 1035 . 9 1 1 A 85 85 PHE C C 108 174.500 175.831 -1.331 1 1 1036 . 9 1 1 A 85 85 PHE CA C 108 58.600 58.913 -0.313 1 1 1037 . 9 1 1 A 85 85 PHE CB C 108 41.800 40.035 1.765 1 1 1042 . 9 1 1 A 85 85 PHE N N 108 121.100 121.435 -0.335 1 1 1043 . 9 1 1 A 86 86 ASN H H 109 9.180 8.691 0.489 1 1 1044 . 9 1 1 A 86 86 ASN HA H 109 5.580 5.336 0.244 1 1 1049 . 9 1 1 A 86 86 ASN C C 109 175.000 173.423 1.577 1 1 1050 . 9 1 1 A 86 86 ASN CA C 109 51.200 52.301 -1.101 1 1 1051 . 9 1 1 A 86 86 ASN CB C 109 42.100 42.980 -0.880 1 1 1053 . 9 1 1 A 86 86 ASN N N 109 119.400 118.813 0.587 1 1 1055 . 9 1 1 A 87 87 VAL H H 110 9.060 8.821 0.239 1 1 1056 . 9 1 1 A 87 87 VAL HA H 110 4.940 5.057 -0.117 1 1 1064 . 9 1 1 A 87 87 VAL C C 110 171.700 173.585 -1.885 1 1 1065 . 9 1 1 A 87 87 VAL CA C 110 58.400 59.868 -1.468 1 1 1066 . 9 1 1 A 87 87 VAL CB C 110 33.800 34.974 -1.174 1 1 1069 . 9 1 1 A 87 87 VAL N N 110 121.300 120.163 1.137 1 1 1070 . 9 1 1 A 88 88 VAL H H 111 8.640 9.198 -0.558 1 1 1071 . 9 1 1 A 88 88 VAL HA H 111 4.590 4.448 0.142 1 1 1079 . 9 1 1 A 88 88 VAL C C 111 175.700 174.428 1.272 1 1 1080 . 9 1 1 A 88 88 VAL CA C 111 60.100 60.484 -0.384 1 1 1081 . 9 1 1 A 88 88 VAL CB C 111 36.200 34.928 1.272 1 1 1084 . 9 1 1 A 88 88 VAL N N 111 125.500 128.283 -2.783 1 1 1085 . 9 1 1 A 89 89 ASP H H 112 8.480 8.494 -0.014 1 1 1086 . 9 1 1 A 89 89 ASP HA H 112 4.870 4.694 0.176 1 1 1089 . 9 1 1 A 89 89 ASP C C 112 177.200 177.196 0.004 1 1 1090 . 9 1 1 A 89 89 ASP CA C 112 54.700 54.725 -0.025 1 1 1091 . 9 1 1 A 89 89 ASP CB C 112 43.600 41.197 2.403 1 1 1092 . 9 1 1 A 89 89 ASP N N 112 126.600 127.542 -0.942 1 1 1093 . 9 1 1 A 90 90 VAL H H 113 7.980 8.575 -0.595 1 1 1094 . 9 1 1 A 90 90 VAL HA H 113 4.540 4.493 0.047 1 1 1102 . 9 1 1 A 90 90 VAL C C 113 174.400 175.540 -1.140 1 1 1103 . 9 1 1 A 90 90 VAL CA C 113 60.300 61.001 -0.701 1 1 1104 . 9 1 1 A 90 90 VAL CB C 113 29.500 32.588 -3.088 1 1 1107 . 9 1 1 A 90 90 VAL N N 113 119.700 117.797 1.903 1 1 1108 . 9 1 1 A 91 91 GLY H H 114 8.600 7.515 1.085 1 1 1109 . 9 1 1 A 91 91 GLY HA2 H 114 4.260 4.052 0.208 1 1 1110 . 9 1 1 A 91 91 GLY HA3 H 114 3.720 4.091 -0.371 1 1 1111 . 9 1 1 A 91 91 GLY C C 114 175.300 173.077 2.223 1 1 1112 . 9 1 1 A 91 91 GLY CA C 114 45.700 45.442 0.258 1 1 1113 . 9 1 1 A 91 91 GLY N N 114 111.300 110.282 1.018 1 1 1114 . 9 1 1 A 92 92 SER H H 115 9.190 8.704 0.486 1 1 1115 . 9 1 1 A 92 92 SER HA H 115 3.890 4.351 -0.461 1 1 1118 . 9 1 1 A 92 92 SER C C 115 174.500 175.000 -0.500 1 1 1119 . 9 1 1 A 92 92 SER CA C 115 58.600 58.902 -0.302 1 1 1120 . 9 1 1 A 92 92 SER CB C 115 61.300 60.762 0.538 1 1 1121 . 9 1 1 A 92 92 SER N N 115 121.000 119.165 1.835 1 1 1122 . 9 1 1 A 93 93 LEU H H 116 7.720 8.418 -0.698 1 1 1123 . 9 1 1 A 93 93 LEU HA H 116 4.250 4.050 0.200 1 1 1133 . 9 1 1 A 93 93 LEU C C 116 179.100 177.765 1.335 1 1 1134 . 9 1 1 A 93 93 LEU CA C 116 57.200 57.914 -0.714 1 1 1135 . 9 1 1 A 93 93 LEU CB C 116 42.100 41.632 0.468 1 1 1139 . 9 1 1 A 93 93 LEU N N 116 120.500 126.671 -6.171 1 1 1140 . 9 1 1 A 94 94 ASN H H 117 8.450 8.135 0.315 1 1 1141 . 9 1 1 A 94 94 ASN HA H 117 4.870 4.684 0.186 1 1 1146 . 9 1 1 A 94 94 ASN C C 117 175.800 178.091 -2.291 1 1 1147 . 9 1 1 A 94 94 ASN CA C 117 54.000 53.990 0.010 1 1 1148 . 9 1 1 A 94 94 ASN CB C 117 40.100 38.299 1.801 1 1 1150 . 9 1 1 A 94 94 ASN N N 117 112.500 117.181 -4.681 1 1 1152 . 9 1 1 A 95 95 GLY H H 118 7.940 7.989 -0.049 1 1 1153 . 9 1 1 A 95 95 GLY HA2 H 118 4.190 3.741 0.449 1 1 1154 . 9 1 1 A 95 95 GLY HA3 H 118 3.610 3.844 -0.234 1 1 1155 . 9 1 1 A 95 95 GLY C C 118 174.000 175.210 -1.210 1 1 1156 . 9 1 1 A 95 95 GLY CA C 118 44.300 46.809 -2.509 1 1 1157 . 9 1 1 A 95 95 GLY N N 118 109.800 107.686 2.114 1 1 1158 . 9 1 1 A 96 96 THR H H 119 8.940 7.953 0.987 1 1 1159 . 9 1 1 A 96 96 THR HA H 119 3.820 4.377 -0.557 1 1 1165 . 9 1 1 A 96 96 THR C C 119 172.300 174.099 -1.799 1 1 1166 . 9 1 1 A 96 96 THR CA C 119 64.100 63.005 1.095 1 1 1167 . 9 1 1 A 96 96 THR CB C 119 70.200 69.633 0.567 1 1 1169 . 9 1 1 A 96 96 THR N N 119 122.000 116.284 5.716 1 1 1170 . 9 1 1 A 97 97 TYR H H 120 8.220 8.328 -0.108 1 1 1171 . 9 1 1 A 97 97 TYR HA H 120 5.340 5.528 -0.188 1 1 1178 . 9 1 1 A 97 97 TYR C C 120 175.900 172.488 3.412 1 1 1179 . 9 1 1 A 97 97 TYR CA C 120 55.600 55.662 -0.062 1 1 1180 . 9 1 1 A 97 97 TYR CB C 120 41.400 41.829 -0.429 1 1 1185 . 9 1 1 A 97 97 TYR N N 120 122.800 122.719 0.081 1 1 1186 . 9 1 1 A 98 98 VAL H H 121 9.040 8.666 0.374 1 1 1187 . 9 1 1 A 98 98 VAL HA H 121 5.010 4.629 0.381 1 1 1195 . 9 1 1 A 98 98 VAL C C 121 176.900 177.067 -0.167 1 1 1196 . 9 1 1 A 98 98 VAL CA C 121 61.100 59.880 1.220 1 1 1197 . 9 1 1 A 98 98 VAL CB C 121 33.000 33.994 -0.994 1 1 1200 . 9 1 1 A 98 98 VAL N N 121 121.400 121.111 0.289 1 1 1201 . 9 1 1 A 99 99 ASN H H 122 10.100 9.158 0.942 1 1 1202 . 9 1 1 A 99 99 ASN HA H 122 4.440 4.486 -0.046 1 1 1207 . 9 1 1 A 99 99 ASN C C 122 174.500 177.750 -3.250 1 1 1208 . 9 1 1 A 99 99 ASN CA C 122 55.000 56.762 -1.762 1 1 1209 . 9 1 1 A 99 99 ASN CB C 122 37.000 38.010 -1.010 1 1 1211 . 9 1 1 A 99 99 ASN N N 122 129.400 125.992 3.408 1 1 1213 . 9 1 1 A 100 100 ARG H H 123 9.290 7.852 1.438 1 1 1214 . 9 1 1 A 100 100 ARG HA H 123 3.680 4.236 -0.556 1 1 1222 . 9 1 1 A 100 100 ARG C C 123 175.200 176.503 -1.303 1 1 1223 . 9 1 1 A 100 100 ARG CA C 123 58.100 58.341 -0.241 1 1 1224 . 9 1 1 A 100 100 ARG CB C 123 27.600 30.357 -2.757 1 1 1227 . 9 1 1 A 100 100 ARG N N 123 106.100 118.452 -12.352 1 1 1229 . 9 1 1 A 101 101 GLU H H 124 7.970 7.911 0.059 1 1 1230 . 9 1 1 A 101 101 GLU HA H 124 5.110 4.855 0.255 1 1 1235 . 9 1 1 A 101 101 GLU CA C 124 53.000 54.065 -1.065 1 1 1236 . 9 1 1 A 101 101 GLU CB C 124 30.900 32.684 -1.784 1 1 1238 . 9 1 1 A 101 101 GLU N N 124 121.300 113.422 7.878 1 1 1239 . 9 1 1 A 102 102 PRO HA H 125 4.050 4.588 -0.538 1 1 1246 . 9 1 1 A 102 102 PRO C C 125 177.500 176.276 1.224 1 1 1247 . 9 1 1 A 102 102 PRO CA C 125 62.300 63.426 -1.126 1 1 1248 . 9 1 1 A 102 102 PRO CB C 125 31.300 32.339 -1.039 1 1 1251 . 9 1 1 A 103 103 VAL H H 126 8.330 8.040 0.290 1 1 1252 . 9 1 1 A 103 103 VAL HA H 126 4.700 4.815 -0.115 1 1 1260 . 9 1 1 A 103 103 VAL C C 126 174.500 175.464 -0.964 1 1 1261 . 9 1 1 A 103 103 VAL CA C 126 58.900 59.422 -0.522 1 1 1262 . 9 1 1 A 103 103 VAL CB C 126 35.300 36.133 -0.833 1 1 1265 . 9 1 1 A 103 103 VAL N N 126 115.000 116.743 -1.743 1 1 1266 . 9 1 1 A 104 104 ASP H H 127 8.520 8.817 -0.297 1 1 1267 . 9 1 1 A 104 104 ASP HA H 127 4.780 4.522 0.258 1 1 1270 . 9 1 1 A 104 104 ASP C C 127 176.200 176.105 0.095 1 1 1271 . 9 1 1 A 104 104 ASP CA C 127 55.800 56.013 -0.213 1 1 1272 . 9 1 1 A 104 104 ASP CB C 127 41.100 42.053 -0.953 1 1 1273 . 9 1 1 A 104 104 ASP N N 127 120.800 122.981 -2.181 1 1 1274 . 9 1 1 A 105 105 SER H H 128 7.650 7.744 -0.094 1 1 1275 . 9 1 1 A 105 105 SER HA H 128 5.440 5.011 0.429 1 1 1278 . 9 1 1 A 105 105 SER C C 128 173.400 172.665 0.735 1 1 1279 . 9 1 1 A 105 105 SER CA C 128 56.600 57.462 -0.862 1 1 1280 . 9 1 1 A 105 105 SER CB C 128 65.000 65.615 -0.615 1 1 1281 . 9 1 1 A 105 105 SER N N 128 111.500 111.070 0.430 1 1 1282 . 9 1 1 A 106 106 ALA H H 129 8.790 8.156 0.634 1 1 1283 . 9 1 1 A 106 106 ALA HA H 129 4.610 4.929 -0.319 1 1 1287 . 9 1 1 A 106 106 ALA C C 129 175.300 176.112 -0.812 1 1 1288 . 9 1 1 A 106 106 ALA CA C 129 52.100 51.519 0.581 1 1 1289 . 9 1 1 A 106 106 ALA CB C 129 22.600 23.216 -0.616 1 1 1290 . 9 1 1 A 106 106 ALA N N 129 125.100 121.522 3.578 1 1 1291 . 9 1 1 A 107 107 VAL H H 130 8.340 8.806 -0.466 1 1 1292 . 9 1 1 A 107 107 VAL HA H 130 4.160 4.732 -0.572 1 1 1300 . 9 1 1 A 107 107 VAL C C 130 176.300 175.506 0.794 1 1 1301 . 9 1 1 A 107 107 VAL CA C 130 62.600 61.343 1.257 1 1 1302 . 9 1 1 A 107 107 VAL CB C 130 32.000 32.798 -0.798 1 1 1305 . 9 1 1 A 107 107 VAL N N 130 122.800 118.989 3.811 1 1 1306 . 9 1 1 A 108 108 LEU H H 131 8.490 8.525 -0.035 1 1 1307 . 9 1 1 A 108 108 LEU HA H 131 4.370 4.265 0.105 1 1 1317 . 9 1 1 A 108 108 LEU C C 131 175.200 175.825 -0.625 1 1 1318 . 9 1 1 A 108 108 LEU CA C 131 54.200 54.273 -0.073 1 1 1319 . 9 1 1 A 108 108 LEU CB C 131 43.000 41.862 1.138 1 1 1323 . 9 1 1 A 108 108 LEU N N 131 128.900 128.492 0.408 1 1 1324 . 9 1 1 A 109 109 ALA H H 132 9.130 8.585 0.545 1 1 1325 . 9 1 1 A 109 109 ALA HA H 132 4.750 4.855 -0.105 1 1 1329 . 9 1 1 A 109 109 ALA C C 132 176.500 175.980 0.520 1 1 1330 . 9 1 1 A 109 109 ALA CA C 132 49.700 51.242 -1.542 1 1 1331 . 9 1 1 A 109 109 ALA CB C 132 22.400 22.942 -0.542 1 1 1332 . 9 1 1 A 109 109 ALA N N 132 126.000 122.829 3.171 1 1 1333 . 9 1 1 A 110 110 ASN H H 133 8.860 8.884 -0.024 1 1 1334 . 9 1 1 A 110 110 ASN HA H 133 4.430 4.563 -0.133 1 1 1339 . 9 1 1 A 110 110 ASN C C 133 176.400 176.415 -0.015 1 1 1340 . 9 1 1 A 110 110 ASN CA C 133 56.400 55.117 1.283 1 1 1341 . 9 1 1 A 110 110 ASN CB C 133 39.800 38.155 1.645 1 1 1343 . 9 1 1 A 110 110 ASN N N 133 117.600 120.715 -3.115 1 1 1345 . 9 1 1 A 111 111 GLY H H 134 10.100 8.675 1.425 1 1 1346 . 9 1 1 A 111 111 GLY HA2 H 134 4.430 3.928 0.502 1 1 1347 . 9 1 1 A 111 111 GLY HA3 H 134 3.410 3.937 -0.527 1 1 1348 . 9 1 1 A 111 111 GLY C C 134 174.800 174.282 0.518 1 1 1349 . 9 1 1 A 111 111 GLY CA C 134 45.100 45.517 -0.417 1 1 1350 . 9 1 1 A 111 111 GLY N N 134 117.200 113.857 3.343 1 1 1351 . 9 1 1 A 112 112 ASP H H 135 8.640 8.142 0.498 1 1 1352 . 9 1 1 A 112 112 ASP HA H 135 4.430 4.936 -0.506 1 1 1355 . 9 1 1 A 112 112 ASP C C 135 174.700 174.622 0.078 1 1 1356 . 9 1 1 A 112 112 ASP CA C 135 56.200 53.896 2.304 1 1 1357 . 9 1 1 A 112 112 ASP CB C 135 42.100 42.066 0.034 1 1 1358 . 9 1 1 A 112 112 ASP N N 135 122.900 120.737 2.163 1 1 1359 . 9 1 1 A 113 113 GLU H H 136 8.360 8.789 -0.429 1 1 1360 . 9 1 1 A 113 113 GLU HA H 136 5.220 5.095 0.125 1 1 1365 . 9 1 1 A 113 113 GLU C C 136 176.000 174.885 1.115 1 1 1366 . 9 1 1 A 113 113 GLU CA C 136 54.400 55.091 -0.691 1 1 1367 . 9 1 1 A 113 113 GLU CB C 136 32.900 33.222 -0.322 1 1 1369 . 9 1 1 A 113 113 GLU N N 136 119.000 122.712 -3.712 1 1 1370 . 9 1 1 A 114 114 VAL H H 137 9.800 8.967 0.833 1 1 1371 . 9 1 1 A 114 114 VAL HA H 137 5.160 4.897 0.263 1 1 1379 . 9 1 1 A 114 114 VAL C C 137 174.400 174.428 -0.028 1 1 1380 . 9 1 1 A 114 114 VAL CA C 137 60.400 60.889 -0.489 1 1 1381 . 9 1 1 A 114 114 VAL CB C 137 34.300 35.086 -0.786 1 1 1384 . 9 1 1 A 114 114 VAL N N 137 129.000 126.159 2.841 1 1 1385 . 9 1 1 A 115 115 GLN H H 138 9.610 8.998 0.612 1 1 1386 . 9 1 1 A 115 115 GLN HA H 138 5.430 5.063 0.367 1 1 1393 . 9 1 1 A 115 115 GLN C C 138 174.800 174.478 0.322 1 1 1394 . 9 1 1 A 115 115 GLN CA C 138 54.500 54.026 0.474 1 1 1395 . 9 1 1 A 115 115 GLN CB C 138 30.700 31.710 -1.010 1 1 1398 . 9 1 1 A 115 115 GLN N N 138 129.300 127.705 1.595 1 1 1399 . 9 1 1 A 116 116 ILE H H 139 8.400 8.436 -0.036 1 1 1400 . 9 1 1 A 116 116 ILE HA H 139 4.020 4.398 -0.378 1 1 1410 . 9 1 1 A 116 116 ILE C C 139 174.500 176.188 -1.688 1 1 1411 . 9 1 1 A 116 116 ILE CA C 139 60.600 59.931 0.669 1 1 1412 . 9 1 1 A 116 116 ILE CB C 139 40.900 40.349 0.551 1 1 1416 . 9 1 1 A 116 116 ILE N N 139 128.300 126.924 1.376 1 1 1417 . 9 1 1 A 117 117 GLY H H 140 9.650 8.505 1.145 1 1 1418 . 9 1 1 A 117 117 GLY HA2 H 140 3.820 3.801 0.019 1 1 1419 . 9 1 1 A 117 117 GLY HA3 H 140 3.630 3.879 -0.249 1 1 1420 . 9 1 1 A 117 117 GLY C C 140 175.400 174.894 0.506 1 1 1421 . 9 1 1 A 117 117 GLY CA C 140 46.500 46.738 -0.238 1 1 1422 . 9 1 1 A 117 117 GLY N N 140 116.800 115.649 1.151 1 1 1423 . 9 1 1 A 118 118 LYS H H 141 7.960 8.376 -0.416 1 1 1424 . 9 1 1 A 118 118 LYS HA H 141 4.070 4.253 -0.183 1 1 1433 . 9 1 1 A 118 118 LYS C C 141 175.600 175.888 -0.288 1 1 1434 . 9 1 1 A 118 118 LYS CA C 141 56.700 57.182 -0.482 1 1 1435 . 9 1 1 A 118 118 LYS CB C 141 32.600 32.258 0.342 1 1 1439 . 9 1 1 A 118 118 LYS N N 141 122.400 125.553 -3.153 1 1 1440 . 9 1 1 A 119 119 PHE H H 142 8.260 7.558 0.702 1 1 1441 . 9 1 1 A 119 119 PHE HA H 142 4.540 4.923 -0.383 1 1 1449 . 9 1 1 A 119 119 PHE C C 142 174.700 175.952 -1.252 1 1 1450 . 9 1 1 A 119 119 PHE CA C 142 58.200 57.416 0.784 1 1 1451 . 9 1 1 A 119 119 PHE CB C 142 39.900 41.214 -1.314 1 1 1456 . 9 1 1 A 119 119 PHE N N 142 119.500 119.901 -0.401 1 1 1457 . 9 1 1 A 120 120 ARG H H 143 8.690 8.802 -0.112 1 1 1458 . 9 1 1 A 120 120 ARG HA H 143 5.020 5.266 -0.246 1 1 1465 . 9 1 1 A 120 120 ARG C C 143 174.800 175.374 -0.574 1 1 1466 . 9 1 1 A 120 120 ARG CA C 143 55.100 54.865 0.235 1 1 1467 . 9 1 1 A 120 120 ARG CB C 143 32.800 33.350 -0.550 1 1 1470 . 9 1 1 A 120 120 ARG N N 143 121.500 121.577 -0.077 1 1 1471 . 9 1 1 A 121 121 LEU H H 144 9.760 8.970 0.790 1 1 1472 . 9 1 1 A 121 121 LEU HA H 144 5.420 5.262 0.158 1 1 1482 . 9 1 1 A 121 121 LEU C C 144 175.000 175.475 -0.475 1 1 1483 . 9 1 1 A 121 121 LEU CA C 144 53.900 53.513 0.387 1 1 1484 . 9 1 1 A 121 121 LEU CB C 144 44.900 46.124 -1.224 1 1 1488 . 9 1 1 A 121 121 LEU N N 144 126.400 124.644 1.756 1 1 1489 . 9 1 1 A 122 122 VAL H H 145 9.370 8.886 0.484 1 1 1490 . 9 1 1 A 122 122 VAL HA H 145 5.010 5.070 -0.060 1 1 1498 . 9 1 1 A 122 122 VAL C C 145 173.700 173.208 0.492 1 1 1499 . 9 1 1 A 122 122 VAL CA C 145 60.800 59.385 1.415 1 1 1500 . 9 1 1 A 122 122 VAL CB C 145 34.300 34.885 -0.585 1 1 1503 . 9 1 1 A 122 122 VAL N N 145 121.900 121.176 0.724 1 1 1504 . 9 1 1 A 123 123 PHE H H 146 8.830 9.179 -0.349 1 1 1505 . 9 1 1 A 123 123 PHE HA H 146 4.980 4.875 0.105 1 1 1513 . 9 1 1 A 123 123 PHE C C 146 172.700 173.947 -1.247 1 1 1514 . 9 1 1 A 123 123 PHE CA C 146 57.100 56.457 0.643 1 1 1515 . 9 1 1 A 123 123 PHE CB C 146 41.100 39.890 1.210 1 1 1521 . 9 1 1 A 123 123 PHE N N 146 128.700 130.110 -1.410 1 1 1522 . 9 1 1 A 124 124 LEU H H 147 8.650 8.210 0.440 1 1 1523 . 9 1 1 A 124 124 LEU HA H 147 5.020 4.732 0.288 1 1 1533 . 9 1 1 A 124 124 LEU C C 147 175.300 176.034 -0.734 1 1 1534 . 9 1 1 A 124 124 LEU CA C 147 52.600 53.230 -0.630 1 1 1535 . 9 1 1 A 124 124 LEU CB C 147 45.600 45.450 0.150 1 1 1539 . 9 1 1 A 124 124 LEU N N 147 128.000 128.665 -0.665 1 1 1540 . 9 1 1 A 125 125 THR H H 148 8.300 8.414 -0.114 1 1 1541 . 9 1 1 A 125 125 THR HA H 148 4.330 4.473 -0.143 1 1 1546 . 9 1 1 A 125 125 THR C C 148 173.900 174.641 -0.741 1 1 1547 . 9 1 1 A 125 125 THR CA C 148 60.200 60.333 -0.133 1 1 1548 . 9 1 1 A 125 125 THR CB C 148 70.300 71.394 -1.094 1 1 1550 . 9 1 1 A 125 125 THR N N 148 110.600 113.961 -3.361 1 1 1551 . 9 1 1 A 126 126 GLY H H 149 8.310 8.603 -0.293 1 1 1552 . 9 1 1 A 126 126 GLY HA2 H 149 3.840 3.756 0.084 1 1 1553 . 9 1 1 A 126 126 GLY HA3 H 149 3.840 3.854 -0.014 1 1 1554 . 9 1 1 A 126 126 GLY CA C 149 45.200 47.188 -1.988 1 1 1555 . 9 1 1 A 126 126 GLY N N 149 109.800 108.932 0.868 1 1 1556 . 9 1 1 A 127 127 HIS H H 150 8.310 8.275 0.035 1 1 1557 . 9 1 1 A 127 127 HIS HA H 150 4.630 4.267 0.363 1 1 1562 . 9 1 1 A 127 127 HIS C C 150 174.800 175.904 -1.104 1 1 1563 . 9 1 1 A 127 127 HIS CA C 150 55.900 58.148 -2.248 1 1 1564 . 9 1 1 A 127 127 HIS CB C 150 30.700 28.366 2.334 1 1 1567 . 9 1 1 A 127 127 HIS N N 150 119.300 120.190 -0.890 1 1 1570 . 9 1 1 A 128 128 LYS H H 151 8.490 8.831 -0.341 1 1 1571 . 9 1 1 A 128 128 LYS HA H 151 4.300 4.355 -0.055 1 1 1580 . 9 1 1 A 128 128 LYS C C 151 176.200 177.596 -1.396 1 1 1581 . 9 1 1 A 128 128 LYS CA C 151 56.100 56.566 -0.466 1 1 1582 . 9 1 1 A 128 128 LYS CB C 151 33.200 32.638 0.562 1 1 1586 . 9 1 1 A 128 128 LYS N N 151 123.800 121.019 2.781 1 1 1587 . 9 1 1 A 129 129 GLN H H 152 8.640 7.742 0.898 1 1 1588 . 9 1 1 A 129 129 GLN HA H 152 4.270 4.287 -0.017 1 1 1595 . 9 1 1 A 129 129 GLN C C 152 176.500 177.223 -0.723 1 1 1596 . 9 1 1 A 129 129 GLN CA C 152 56.400 58.004 -1.604 1 1 1597 . 9 1 1 A 129 129 GLN CB C 152 29.500 28.161 1.339 1 1 1600 . 9 1 1 A 129 129 GLN N N 152 122.900 118.919 3.981 1 1 1602 . 9 1 1 A 130 130 GLY H H 153 8.640 8.309 0.331 1 1 1603 . 9 1 1 A 130 130 GLY HA2 H 153 3.990 3.928 0.062 1 1 1604 . 9 1 1 A 130 130 GLY HA3 H 153 3.910 3.933 -0.023 1 1 1605 . 9 1 1 A 130 130 GLY C C 153 174.100 174.150 -0.050 1 1 1606 . 9 1 1 A 130 130 GLY CA C 153 45.400 45.916 -0.516 1 1 1607 . 9 1 1 A 130 130 GLY N N 153 111.100 108.122 2.978 1 1 1608 . 9 1 1 A 131 131 GLU H H 154 8.220 8.046 0.174 1 1 1609 . 9 1 1 A 131 131 GLU HA H 154 4.260 4.344 -0.084 1 1 1614 . 9 1 1 A 131 131 GLU C C 154 176.100 176.083 0.017 1 1 1615 . 9 1 1 A 131 131 GLU CA C 154 56.600 56.936 -0.336 1 1 1616 . 9 1 1 A 131 131 GLU CB C 154 30.600 30.302 0.298 1 1 1618 . 9 1 1 A 131 131 GLU N N 154 120.500 119.680 0.820 1 1 1619 . 9 1 1 A 132 132 ASP H H 155 8.530 8.694 -0.164 1 1 1620 . 9 1 1 A 132 132 ASP HA H 155 4.560 4.702 -0.142 1 1 1623 . 9 1 1 A 132 132 ASP C C 155 176.300 177.164 -0.864 1 1 1624 . 9 1 1 A 132 132 ASP CA C 155 54.300 54.517 -0.217 1 1 1625 . 9 1 1 A 132 132 ASP CB C 155 41.000 41.526 -0.526 1 1 1626 . 9 1 1 A 132 132 ASP N N 155 121.300 122.648 -1.348 1 1 1627 . 9 1 1 A 133 133 LEU H H 156 8.230 8.432 -0.202 1 1 1628 . 9 1 1 A 133 133 LEU HA H 156 4.200 4.197 0.003 1 1 1638 . 9 1 1 A 133 133 LEU C C 156 177.700 177.080 0.620 1 1 1639 . 9 1 1 A 133 133 LEU CA C 156 55.500 55.537 -0.037 1 1 1640 . 9 1 1 A 133 133 LEU CB C 156 42.100 42.455 -0.355 1 1 1644 . 9 1 1 A 133 133 LEU N N 156 122.500 122.263 0.237 1 1 1645 . 9 1 1 A 134 134 GLU H H 157 8.270 8.620 -0.350 1 1 1646 . 9 1 1 A 134 134 GLU HA H 157 4.100 4.395 -0.295 1 1 1651 . 9 1 1 A 134 134 GLU C C 157 177.300 177.435 -0.135 1 1 1652 . 9 1 1 A 134 134 GLU CA C 157 56.900 56.738 0.162 1 1 1653 . 9 1 1 A 134 134 GLU CB C 157 30.000 29.861 0.139 1 1 1655 . 9 1 1 A 134 134 GLU N N 157 119.800 123.026 -3.226 1 1 1656 . 9 1 1 A 135 135 HIS H H 158 8.150 8.515 -0.365 1 1 1657 . 9 1 1 A 135 135 HIS HA H 158 4.530 4.658 -0.128 1 1 1662 . 9 1 1 A 135 135 HIS CA C 158 56.100 56.164 -0.064 1 1 1663 . 9 1 1 A 135 135 HIS CB C 158 30.000 30.632 -0.632 1 1 1664 . 9 1 1 A 135 135 HIS N N 158 118.500 121.545 -3.045 1 1 1665 . 9 1 1 A 139 139 HIS HA H 162 4.590 4.095 0.495 1 1 1668 . 9 1 1 A 139 139 HIS C C 162 173.900 174.457 -0.557 1 1 1669 . 9 1 1 A 139 139 HIS CA C 162 55.900 56.694 -0.794 1 1 1670 . 9 1 1 A 139 139 HIS CB C 162 30.100 28.086 2.014 1 1 15 . 10 1 1 A 2 2 PHE H H 25 8.640 7.540 1.100 1 1 16 . 10 1 1 A 2 2 PHE HA H 25 4.630 5.048 -0.418 1 1 24 . 10 1 1 A 2 2 PHE C C 25 175.000 174.775 0.225 1 1 25 . 10 1 1 A 2 2 PHE CA C 25 58.000 55.316 2.684 1 1 26 . 10 1 1 A 2 2 PHE CB C 25 39.700 40.651 -0.951 1 1 31 . 10 1 1 A 3 3 ARG H H 26 8.210 8.722 -0.512 1 1 32 . 10 1 1 A 3 3 ARG HA H 26 4.200 4.514 -0.314 1 1 40 . 10 1 1 A 3 3 ARG C C 26 175.100 175.444 -0.344 1 1 41 . 10 1 1 A 3 3 ARG CA C 26 55.600 56.974 -1.374 1 1 42 . 10 1 1 A 3 3 ARG CB C 26 31.300 31.210 0.090 1 1 45 . 10 1 1 A 3 3 ARG N N 26 125.000 120.118 4.882 1 1 47 . 10 1 1 A 4 4 ALA H H 27 8.260 8.318 -0.058 1 1 48 . 10 1 1 A 4 4 ALA HA H 27 4.090 4.245 -0.155 1 1 52 . 10 1 1 A 4 4 ALA C C 27 177.300 176.266 1.034 1 1 53 . 10 1 1 A 4 4 ALA CA C 27 52.800 51.372 1.428 1 1 54 . 10 1 1 A 4 4 ALA CB C 27 19.200 18.615 0.585 1 1 55 . 10 1 1 A 4 4 ALA N N 27 125.400 126.779 -1.379 1 1 56 . 10 1 1 A 5 5 ASP H H 28 8.260 7.782 0.478 1 1 57 . 10 1 1 A 5 5 ASP HA H 28 4.470 4.532 -0.062 1 1 60 . 10 1 1 A 5 5 ASP C C 28 176.200 177.409 -1.209 1 1 61 . 10 1 1 A 5 5 ASP CA C 28 54.500 54.422 0.078 1 1 62 . 10 1 1 A 5 5 ASP CB C 28 40.700 41.556 -0.856 1 1 63 . 10 1 1 A 5 5 ASP N N 28 118.200 119.600 -1.400 1 1 64 . 10 1 1 A 6 6 PHE H H 29 7.930 6.564 1.366 1 1 65 . 10 1 1 A 6 6 PHE HA H 29 4.510 4.479 0.031 1 1 73 . 10 1 1 A 6 6 PHE C C 29 175.700 175.671 0.029 1 1 74 . 10 1 1 A 6 6 PHE CA C 29 58.000 59.171 -1.171 1 1 75 . 10 1 1 A 6 6 PHE CB C 29 39.300 39.741 -0.441 1 1 81 . 10 1 1 A 6 6 PHE N N 29 119.400 116.505 2.895 1 1 82 . 10 1 1 A 7 7 LEU H H 30 8.000 7.793 0.207 1 1 83 . 10 1 1 A 7 7 LEU HA H 30 4.210 3.998 0.212 1 1 93 . 10 1 1 A 7 7 LEU C C 30 177.400 176.545 0.855 1 1 94 . 10 1 1 A 7 7 LEU CA C 30 55.400 56.477 -1.077 1 1 95 . 10 1 1 A 7 7 LEU CB C 30 42.200 40.636 1.564 1 1 99 . 10 1 1 A 7 7 LEU N N 30 122.100 117.866 4.234 1 1 100 . 10 1 1 A 8 8 SER H H 31 8.130 8.757 -0.627 1 1 101 . 10 1 1 A 8 8 SER HA H 31 4.330 4.340 -0.010 1 1 104 . 10 1 1 A 8 8 SER C C 31 174.900 174.428 0.472 1 1 105 . 10 1 1 A 8 8 SER CA C 31 58.800 59.454 -0.654 1 1 106 . 10 1 1 A 8 8 SER CB C 31 63.800 63.023 0.777 1 1 107 . 10 1 1 A 8 8 SER N N 31 116.000 115.046 0.954 1 1 108 . 10 1 1 A 9 9 GLU H H 32 8.380 8.902 -0.522 1 1 109 . 10 1 1 A 9 9 GLU HA H 32 4.240 4.069 0.171 1 1 114 . 10 1 1 A 9 9 GLU C C 32 176.600 175.779 0.821 1 1 115 . 10 1 1 A 9 9 GLU CA C 32 57.000 57.806 -0.806 1 1 116 . 10 1 1 A 9 9 GLU CB C 32 30.000 29.157 0.843 1 1 118 . 10 1 1 A 9 9 GLU N N 32 122.200 122.932 -0.732 1 1 119 . 10 1 1 A 10 10 LEU H H 33 7.990 8.270 -0.280 1 1 120 . 10 1 1 A 10 10 LEU HA H 33 4.220 4.154 0.066 1 1 130 . 10 1 1 A 10 10 LEU C C 33 177.100 175.952 1.148 1 1 131 . 10 1 1 A 10 10 LEU CA C 33 55.500 57.095 -1.595 1 1 132 . 10 1 1 A 10 10 LEU CB C 33 42.200 40.740 1.460 1 1 136 . 10 1 1 A 10 10 LEU N N 33 121.200 118.646 2.554 1 1 137 . 10 1 1 A 11 11 ASP H H 34 8.090 9.017 -0.927 1 1 138 . 10 1 1 A 11 11 ASP HA H 34 4.550 4.483 0.067 1 1 141 . 10 1 1 A 11 11 ASP C C 34 175.400 175.879 -0.479 1 1 142 . 10 1 1 A 11 11 ASP CA C 34 54.200 56.200 -2.000 1 1 143 . 10 1 1 A 11 11 ASP CB C 34 41.300 40.680 0.620 1 1 144 . 10 1 1 A 11 11 ASP N N 34 120.000 122.843 -2.843 1 1 145 . 10 1 1 A 12 12 ALA H H 35 7.950 8.094 -0.144 1 1 146 . 10 1 1 A 12 12 ALA HA H 35 4.510 3.953 0.557 1 1 150 . 10 1 1 A 12 12 ALA CA C 35 50.800 52.782 -1.982 1 1 151 . 10 1 1 A 12 12 ALA CB C 35 18.300 17.410 0.890 1 1 152 . 10 1 1 A 12 12 ALA N N 35 124.600 122.476 2.124 1 1 153 . 10 1 1 A 13 13 PRO HA H 36 4.360 4.484 -0.124 1 1 160 . 10 1 1 A 13 13 PRO C C 36 176.900 176.415 0.485 1 1 161 . 10 1 1 A 13 13 PRO CA C 36 63.200 62.927 0.273 1 1 162 . 10 1 1 A 13 13 PRO CB C 36 32.000 32.443 -0.443 1 1 165 . 10 1 1 A 14 14 ALA H H 37 8.390 8.301 0.089 1 1 166 . 10 1 1 A 14 14 ALA HA H 37 4.230 4.329 -0.099 1 1 170 . 10 1 1 A 14 14 ALA C C 37 177.900 177.643 0.257 1 1 171 . 10 1 1 A 14 14 ALA CA C 37 52.600 52.937 -0.337 1 1 172 . 10 1 1 A 14 14 ALA CB C 37 19.300 19.800 -0.500 1 1 173 . 10 1 1 A 14 14 ALA N N 37 123.900 122.375 1.525 1 1 174 . 10 1 1 A 15 15 GLN H H 38 8.330 7.535 0.795 1 1 175 . 10 1 1 A 15 15 GLN HA H 38 4.280 4.365 -0.085 1 1 182 . 10 1 1 A 15 15 GLN C C 38 175.800 175.605 0.195 1 1 183 . 10 1 1 A 15 15 GLN CA C 38 55.700 55.652 0.048 1 1 184 . 10 1 1 A 15 15 GLN CB C 38 29.600 29.401 0.199 1 1 187 . 10 1 1 A 15 15 GLN N N 38 119.300 118.151 1.149 1 1 189 . 10 1 1 A 16 16 ALA H H 39 8.410 8.471 -0.061 1 1 190 . 10 1 1 A 16 16 ALA HA H 39 4.070 4.546 -0.476 1 1 194 . 10 1 1 A 16 16 ALA C C 39 178.200 178.484 -0.284 1 1 195 . 10 1 1 A 16 16 ALA CA C 39 52.800 51.767 1.033 1 1 196 . 10 1 1 A 16 16 ALA CB C 39 19.300 21.207 -1.907 1 1 197 . 10 1 1 A 16 16 ALA N N 39 125.600 122.342 3.258 1 1 198 . 10 1 1 A 17 17 GLY H H 40 8.510 8.184 0.326 1 1 199 . 10 1 1 A 17 17 GLY HA2 H 40 4.010 3.952 0.058 1 1 200 . 10 1 1 A 17 17 GLY HA3 H 40 4.010 3.953 0.057 1 1 201 . 10 1 1 A 17 17 GLY C C 40 174.600 174.353 0.247 1 1 202 . 10 1 1 A 17 17 GLY CA C 40 45.400 46.658 -1.258 1 1 203 . 10 1 1 A 17 17 GLY N N 40 108.500 107.816 0.684 1 1 204 . 10 1 1 A 18 18 THR H H 41 8.020 8.591 -0.571 1 1 205 . 10 1 1 A 18 18 THR HA H 41 4.320 3.874 0.446 1 1 210 . 10 1 1 A 18 18 THR C C 41 174.900 174.755 0.145 1 1 211 . 10 1 1 A 18 18 THR CA C 41 62.100 62.238 -0.138 1 1 212 . 10 1 1 A 18 18 THR CB C 41 69.900 67.186 2.714 1 1 214 . 10 1 1 A 18 18 THR N N 41 112.900 115.665 -2.765 1 1 215 . 10 1 1 A 19 19 GLU H H 42 8.630 8.412 0.218 1 1 216 . 10 1 1 A 19 19 GLU HA H 42 4.300 4.327 -0.027 1 1 221 . 10 1 1 A 19 19 GLU C C 42 176.600 176.668 -0.068 1 1 222 . 10 1 1 A 19 19 GLU CA C 42 56.900 55.846 1.054 1 1 223 . 10 1 1 A 19 19 GLU CB C 42 30.000 29.277 0.723 1 1 225 . 10 1 1 A 19 19 GLU N N 42 123.000 120.135 2.865 1 1 226 . 10 1 1 A 20 20 SER H H 43 8.330 7.634 0.696 1 1 227 . 10 1 1 A 20 20 SER HA H 43 4.400 4.416 -0.016 1 1 230 . 10 1 1 A 20 20 SER C C 43 174.300 174.003 0.297 1 1 231 . 10 1 1 A 20 20 SER CA C 43 58.500 59.374 -0.874 1 1 232 . 10 1 1 A 20 20 SER CB C 43 63.900 63.773 0.127 1 1 233 . 10 1 1 A 20 20 SER N N 43 116.600 117.841 -1.241 1 1 234 . 10 1 1 A 21 21 ALA H H 44 8.320 8.751 -0.431 1 1 235 . 10 1 1 A 21 21 ALA HA H 44 4.300 4.746 -0.446 1 1 239 . 10 1 1 A 21 21 ALA C C 44 177.700 175.751 1.949 1 1 240 . 10 1 1 A 21 21 ALA CA C 44 52.700 51.963 0.737 1 1 241 . 10 1 1 A 21 21 ALA CB C 44 19.300 19.031 0.269 1 1 242 . 10 1 1 A 21 21 ALA N N 44 126.000 125.058 0.942 1 1 243 . 10 1 1 A 22 22 VAL H H 45 8.040 8.191 -0.151 1 1 244 . 10 1 1 A 22 22 VAL HA H 45 4.100 4.287 -0.187 1 1 252 . 10 1 1 A 22 22 VAL C C 45 176.100 176.018 0.082 1 1 253 . 10 1 1 A 22 22 VAL CA C 45 62.300 61.713 0.587 1 1 254 . 10 1 1 A 22 22 VAL CB C 45 32.700 32.708 -0.008 1 1 257 . 10 1 1 A 22 22 VAL N N 45 118.100 119.322 -1.222 1 1 258 . 10 1 1 A 23 23 SER H H 46 8.370 8.848 -0.478 1 1 259 . 10 1 1 A 23 23 SER HA H 46 4.410 4.350 0.060 1 1 262 . 10 1 1 A 23 23 SER C C 46 174.900 173.690 1.210 1 1 263 . 10 1 1 A 23 23 SER CA C 46 58.500 59.086 -0.586 1 1 264 . 10 1 1 A 23 23 SER CB C 46 63.900 63.207 0.693 1 1 265 . 10 1 1 A 23 23 SER N N 46 119.100 119.541 -0.441 1 1 266 . 10 1 1 A 24 24 GLY H H 47 8.370 8.562 -0.192 1 1 267 . 10 1 1 A 24 24 GLY HA2 H 47 3.950 4.142 -0.192 1 1 268 . 10 1 1 A 24 24 GLY HA3 H 47 3.950 4.143 -0.193 1 1 269 . 10 1 1 A 24 24 GLY C C 47 174.200 172.712 1.488 1 1 270 . 10 1 1 A 24 24 GLY CA C 47 45.400 46.061 -0.661 1 1 271 . 10 1 1 A 24 24 GLY N N 47 110.500 108.855 1.645 1 1 272 . 10 1 1 A 25 25 VAL H H 48 7.980 8.245 -0.265 1 1 273 . 10 1 1 A 25 25 VAL HA H 48 4.040 4.349 -0.309 1 1 281 . 10 1 1 A 25 25 VAL C C 48 176.100 175.710 0.390 1 1 282 . 10 1 1 A 25 25 VAL CA C 48 62.200 61.082 1.118 1 1 283 . 10 1 1 A 25 25 VAL CB C 48 32.500 32.938 -0.438 1 1 286 . 10 1 1 A 25 25 VAL N N 48 118.100 119.848 -1.748 1 1 287 . 10 1 1 A 26 26 GLU H H 49 8.580 8.668 -0.088 1 1 288 . 10 1 1 A 26 26 GLU HA H 49 4.160 4.643 -0.483 1 1 293 . 10 1 1 A 26 26 GLU C C 49 176.900 177.543 -0.643 1 1 294 . 10 1 1 A 26 26 GLU CA C 49 57.400 56.704 0.696 1 1 295 . 10 1 1 A 26 26 GLU CB C 49 29.800 31.507 -1.707 1 1 297 . 10 1 1 A 26 26 GLU N N 49 123.900 121.663 2.237 1 1 298 . 10 1 1 A 27 27 GLY H H 50 8.330 7.930 0.400 1 1 299 . 10 1 1 A 27 27 GLY HA2 H 50 3.890 3.999 -0.109 1 1 300 . 10 1 1 A 27 27 GLY HA3 H 50 3.830 4.012 -0.182 1 1 301 . 10 1 1 A 27 27 GLY C C 50 173.800 173.968 -0.168 1 1 302 . 10 1 1 A 27 27 GLY CA C 50 45.200 45.289 -0.089 1 1 303 . 10 1 1 A 27 27 GLY N N 50 109.500 107.551 1.949 1 1 304 . 10 1 1 A 28 28 LEU H H 51 7.770 7.360 0.410 1 1 305 . 10 1 1 A 28 28 LEU HA H 51 4.470 4.242 0.228 1 1 315 . 10 1 1 A 28 28 LEU CA C 51 52.800 53.571 -0.771 1 1 316 . 10 1 1 A 28 28 LEU CB C 51 42.200 42.715 -0.515 1 1 320 . 10 1 1 A 28 28 LEU N N 51 123.000 122.283 0.717 1 1 321 . 10 1 1 A 29 29 PRO HA H 52 4.660 4.656 0.004 1 1 328 . 10 1 1 A 29 29 PRO CA C 52 61.600 61.795 -0.195 1 1 329 . 10 1 1 A 29 29 PRO CB C 52 30.800 31.929 -1.129 1 1 332 . 10 1 1 A 30 30 PRO HA H 53 4.340 4.290 0.050 1 1 339 . 10 1 1 A 30 30 PRO C C 53 177.500 177.361 0.139 1 1 340 . 10 1 1 A 30 30 PRO CA C 53 63.500 63.726 -0.226 1 1 341 . 10 1 1 A 30 30 PRO CB C 53 32.000 31.946 0.054 1 1 344 . 10 1 1 A 31 31 GLY H H 54 8.690 8.871 -0.181 1 1 345 . 10 1 1 A 31 31 GLY HA2 H 54 4.060 3.974 0.086 1 1 346 . 10 1 1 A 31 31 GLY HA3 H 54 3.660 3.996 -0.336 1 1 347 . 10 1 1 A 31 31 GLY C C 54 172.900 173.616 -0.716 1 1 348 . 10 1 1 A 31 31 GLY CA C 54 45.400 45.523 -0.123 1 1 349 . 10 1 1 A 31 31 GLY N N 54 110.100 111.463 -1.363 1 1 350 . 10 1 1 A 32 32 LEU H H 55 7.510 7.520 -0.010 1 1 351 . 10 1 1 A 32 32 LEU HA H 55 4.960 4.979 -0.019 1 1 361 . 10 1 1 A 32 32 LEU C C 55 175.400 175.692 -0.292 1 1 362 . 10 1 1 A 32 32 LEU CA C 55 54.100 53.593 0.507 1 1 363 . 10 1 1 A 32 32 LEU CB C 55 44.400 44.582 -0.182 1 1 367 . 10 1 1 A 32 32 LEU N N 55 119.300 123.134 -3.834 1 1 368 . 10 1 1 A 33 33 ALA H H 56 7.840 8.546 -0.706 1 1 369 . 10 1 1 A 33 33 ALA HA H 56 4.500 4.849 -0.349 1 1 373 . 10 1 1 A 33 33 ALA C C 56 178.200 175.748 2.452 1 1 374 . 10 1 1 A 33 33 ALA CA C 56 51.100 50.446 0.654 1 1 375 . 10 1 1 A 33 33 ALA CB C 56 23.900 23.480 0.420 1 1 376 . 10 1 1 A 33 33 ALA N N 56 121.800 123.001 -1.201 1 1 377 . 10 1 1 A 34 34 LEU H H 57 8.640 7.977 0.663 1 1 378 . 10 1 1 A 34 34 LEU HA H 57 4.930 5.277 -0.347 1 1 388 . 10 1 1 A 34 34 LEU C C 57 174.400 174.972 -0.572 1 1 389 . 10 1 1 A 34 34 LEU CA C 57 53.400 52.830 0.570 1 1 390 . 10 1 1 A 34 34 LEU CB C 57 47.300 46.029 1.271 1 1 394 . 10 1 1 A 34 34 LEU N N 57 119.200 116.163 3.037 1 1 395 . 10 1 1 A 35 35 LEU H H 58 8.640 8.355 0.285 1 1 396 . 10 1 1 A 35 35 LEU HA H 58 5.440 5.385 0.055 1 1 406 . 10 1 1 A 35 35 LEU C C 58 176.200 175.693 0.507 1 1 407 . 10 1 1 A 35 35 LEU CA C 58 52.600 53.503 -0.903 1 1 408 . 10 1 1 A 35 35 LEU CB C 58 46.000 44.678 1.322 1 1 412 . 10 1 1 A 35 35 LEU N N 58 119.400 119.772 -0.372 1 1 413 . 10 1 1 A 36 36 VAL H H 59 8.960 8.929 0.031 1 1 414 . 10 1 1 A 36 36 VAL HA H 59 4.860 4.810 0.050 1 1 422 . 10 1 1 A 36 36 VAL C C 59 176.400 175.216 1.184 1 1 423 . 10 1 1 A 36 36 VAL CA C 59 59.900 60.142 -0.242 1 1 424 . 10 1 1 A 36 36 VAL CB C 59 34.600 34.387 0.213 1 1 427 . 10 1 1 A 36 36 VAL N N 59 120.700 124.200 -3.500 1 1 428 . 10 1 1 A 37 37 VAL H H 60 8.830 8.756 0.074 1 1 429 . 10 1 1 A 37 37 VAL HA H 60 4.170 4.113 0.057 1 1 437 . 10 1 1 A 37 37 VAL C C 60 176.000 176.036 -0.036 1 1 438 . 10 1 1 A 37 37 VAL CA C 60 63.900 63.611 0.289 1 1 439 . 10 1 1 A 37 37 VAL CB C 60 31.400 32.184 -0.784 1 1 442 . 10 1 1 A 37 37 VAL N N 60 125.700 127.862 -2.162 1 1 443 . 10 1 1 A 38 38 LYS H H 61 9.400 8.647 0.753 1 1 444 . 10 1 1 A 38 38 LYS HA H 61 4.450 4.604 -0.154 1 1 453 . 10 1 1 A 38 38 LYS C C 61 176.000 175.095 0.905 1 1 454 . 10 1 1 A 38 38 LYS CA C 61 56.900 55.327 1.573 1 1 455 . 10 1 1 A 38 38 LYS CB C 61 34.200 32.728 1.472 1 1 459 . 10 1 1 A 38 38 LYS N N 61 131.900 128.932 2.968 1 1 460 . 10 1 1 A 39 39 ARG H H 62 7.990 7.564 0.426 1 1 461 . 10 1 1 A 39 39 ARG HA H 62 4.700 4.798 -0.098 1 1 469 . 10 1 1 A 39 39 ARG C C 62 173.600 177.045 -3.445 1 1 470 . 10 1 1 A 39 39 ARG CA C 62 55.100 54.424 0.676 1 1 471 . 10 1 1 A 39 39 ARG CB C 62 34.100 33.268 0.832 1 1 474 . 10 1 1 A 39 39 ARG N N 62 117.300 121.353 -4.053 1 1 476 . 10 1 1 A 40 40 GLY H H 63 8.480 8.997 -0.517 1 1 477 . 10 1 1 A 40 40 GLY HA2 H 63 4.290 3.849 0.441 1 1 478 . 10 1 1 A 40 40 GLY HA3 H 63 3.580 3.851 -0.271 1 1 479 . 10 1 1 A 40 40 GLY CA C 63 43.800 48.191 -4.391 1 1 480 . 10 1 1 A 40 40 GLY N N 63 110.800 110.667 0.133 1 1 481 . 10 1 1 A 41 41 PRO HA H 64 4.300 4.296 0.004 1 1 488 . 10 1 1 A 41 41 PRO C C 64 175.900 177.253 -1.353 1 1 489 . 10 1 1 A 41 41 PRO CA C 64 64.400 65.438 -1.038 1 1 490 . 10 1 1 A 41 41 PRO CB C 64 31.500 31.336 0.164 1 1 493 . 10 1 1 A 42 42 ASN H H 65 8.310 8.311 -0.001 1 1 494 . 10 1 1 A 42 42 ASN HA H 65 4.770 4.988 -0.218 1 1 499 . 10 1 1 A 42 42 ASN C C 65 177.500 174.588 2.912 1 1 500 . 10 1 1 A 42 42 ASN CA C 65 52.100 52.427 -0.327 1 1 501 . 10 1 1 A 42 42 ASN CB C 65 36.700 39.571 -2.871 1 1 503 . 10 1 1 A 42 42 ASN N N 65 114.500 114.507 -0.007 1 1 505 . 10 1 1 A 43 43 ALA H H 66 7.470 7.910 -0.440 1 1 506 . 10 1 1 A 43 43 ALA HA H 66 3.690 4.116 -0.426 1 1 510 . 10 1 1 A 43 43 ALA C C 66 177.800 178.397 -0.597 1 1 511 . 10 1 1 A 43 43 ALA CA C 66 54.200 53.695 0.505 1 1 512 . 10 1 1 A 43 43 ALA CB C 66 17.700 18.809 -1.109 1 1 513 . 10 1 1 A 43 43 ALA N N 66 122.100 122.311 -0.211 1 1 514 . 10 1 1 A 44 44 GLY H H 67 9.120 8.947 0.173 1 1 515 . 10 1 1 A 44 44 GLY HA2 H 67 4.440 4.009 0.431 1 1 516 . 10 1 1 A 44 44 GLY HA3 H 67 3.490 4.012 -0.522 1 1 517 . 10 1 1 A 44 44 GLY C C 67 174.900 174.466 0.434 1 1 518 . 10 1 1 A 44 44 GLY CA C 67 44.600 44.852 -0.252 1 1 519 . 10 1 1 A 44 44 GLY N N 67 111.800 110.699 1.101 1 1 520 . 10 1 1 A 45 45 SER H H 68 8.090 7.606 0.484 1 1 521 . 10 1 1 A 45 45 SER HA H 68 4.280 4.312 -0.032 1 1 524 . 10 1 1 A 45 45 SER C C 68 171.500 173.198 -1.698 1 1 525 . 10 1 1 A 45 45 SER CA C 68 60.500 59.410 1.090 1 1 526 . 10 1 1 A 45 45 SER CB C 68 63.800 63.769 0.031 1 1 527 . 10 1 1 A 45 45 SER N N 68 117.400 117.972 -0.572 1 1 528 . 10 1 1 A 46 46 ARG H H 69 8.120 8.128 -0.008 1 1 529 . 10 1 1 A 46 46 ARG HA H 69 5.140 5.221 -0.081 1 1 537 . 10 1 1 A 46 46 ARG C C 69 174.600 174.510 0.090 1 1 538 . 10 1 1 A 46 46 ARG CA C 69 54.200 54.277 -0.077 1 1 539 . 10 1 1 A 46 46 ARG CB C 69 33.900 34.292 -0.392 1 1 542 . 10 1 1 A 46 46 ARG N N 69 119.800 123.882 -4.082 1 1 544 . 10 1 1 A 47 47 PHE H H 70 9.180 8.486 0.694 1 1 545 . 10 1 1 A 47 47 PHE HA H 70 4.720 5.000 -0.280 1 1 553 . 10 1 1 A 47 47 PHE C C 70 173.900 174.131 -0.231 1 1 554 . 10 1 1 A 47 47 PHE CA C 70 56.400 56.469 -0.069 1 1 555 . 10 1 1 A 47 47 PHE CB C 70 41.500 42.465 -0.965 1 1 561 . 10 1 1 A 47 47 PHE N N 70 120.800 121.246 -0.446 1 1 562 . 10 1 1 A 48 48 LEU H H 71 8.720 9.023 -0.303 1 1 563 . 10 1 1 A 48 48 LEU HA H 71 4.450 4.920 -0.470 1 1 573 . 10 1 1 A 48 48 LEU C C 71 176.300 174.961 1.339 1 1 574 . 10 1 1 A 48 48 LEU CA C 71 54.900 53.858 1.042 1 1 575 . 10 1 1 A 48 48 LEU CB C 71 43.200 44.591 -1.391 1 1 579 . 10 1 1 A 48 48 LEU N N 71 125.300 125.220 0.080 1 1 580 . 10 1 1 A 49 49 LEU H H 72 8.730 8.790 -0.060 1 1 581 . 10 1 1 A 49 49 LEU HA H 72 4.770 4.524 0.246 1 1 591 . 10 1 1 A 49 49 LEU C C 72 174.800 175.698 -0.898 1 1 592 . 10 1 1 A 49 49 LEU CA C 72 53.200 54.099 -0.899 1 1 593 . 10 1 1 A 49 49 LEU CB C 72 40.900 40.096 0.804 1 1 597 . 10 1 1 A 49 49 LEU N N 72 126.900 128.156 -1.256 1 1 598 . 10 1 1 A 50 50 ASP H H 73 8.350 8.684 -0.334 1 1 599 . 10 1 1 A 50 50 ASP HA H 73 4.790 4.921 -0.131 1 1 602 . 10 1 1 A 50 50 ASP C C 73 175.600 175.195 0.405 1 1 603 . 10 1 1 A 50 50 ASP CA C 73 53.000 53.061 -0.061 1 1 604 . 10 1 1 A 50 50 ASP CB C 73 41.400 40.949 0.451 1 1 605 . 10 1 1 A 50 50 ASP N N 73 120.400 125.729 -5.329 1 1 606 . 10 1 1 A 51 51 GLN H H 74 7.670 7.522 0.148 1 1 607 . 10 1 1 A 51 51 GLN HA H 74 4.660 4.787 -0.127 1 1 614 . 10 1 1 A 51 51 GLN C C 74 175.400 175.828 -0.428 1 1 615 . 10 1 1 A 51 51 GLN CA C 74 53.700 54.719 -1.019 1 1 616 . 10 1 1 A 51 51 GLN CB C 74 31.300 31.943 -0.643 1 1 619 . 10 1 1 A 51 51 GLN N N 74 116.200 121.508 -5.308 1 1 621 . 10 1 1 A 52 52 ALA H H 75 8.720 8.595 0.125 1 1 622 . 10 1 1 A 52 52 ALA HA H 75 4.170 4.197 -0.027 1 1 626 . 10 1 1 A 52 52 ALA C C 75 178.300 177.738 0.562 1 1 627 . 10 1 1 A 52 52 ALA CA C 75 55.700 54.764 0.936 1 1 628 . 10 1 1 A 52 52 ALA CB C 75 18.500 19.410 -0.910 1 1 629 . 10 1 1 A 52 52 ALA N N 75 123.200 125.176 -1.976 1 1 630 . 10 1 1 A 53 53 ILE H H 76 8.030 8.034 -0.004 1 1 631 . 10 1 1 A 53 53 ILE HA H 76 4.650 4.899 -0.249 1 1 641 . 10 1 1 A 53 53 ILE C C 76 175.100 174.458 0.642 1 1 642 . 10 1 1 A 53 53 ILE CA C 76 61.100 60.306 0.794 1 1 643 . 10 1 1 A 53 53 ILE CB C 76 40.500 40.847 -0.347 1 1 647 . 10 1 1 A 53 53 ILE N N 76 115.400 117.375 -1.975 1 1 648 . 10 1 1 A 54 54 THR H H 77 8.840 8.975 -0.135 1 1 649 . 10 1 1 A 54 54 THR HA H 77 4.940 5.014 -0.074 1 1 654 . 10 1 1 A 54 54 THR C C 77 174.600 173.809 0.791 1 1 655 . 10 1 1 A 54 54 THR CA C 77 61.400 61.599 -0.199 1 1 656 . 10 1 1 A 54 54 THR CB C 77 70.300 70.772 -0.472 1 1 658 . 10 1 1 A 54 54 THR N N 77 125.300 125.045 0.255 1 1 659 . 10 1 1 A 55 55 SER H H 78 10.690 8.847 1.843 1 1 660 . 10 1 1 A 55 55 SER HA H 78 4.720 4.949 -0.229 1 1 663 . 10 1 1 A 55 55 SER C C 78 172.600 173.785 -1.185 1 1 664 . 10 1 1 A 55 55 SER CA C 78 57.800 58.037 -0.237 1 1 665 . 10 1 1 A 55 55 SER CB C 78 65.200 64.287 0.913 1 1 666 . 10 1 1 A 55 55 SER N N 78 126.300 123.594 2.706 1 1 667 . 10 1 1 A 56 56 ALA H H 79 8.840 8.423 0.417 1 1 668 . 10 1 1 A 56 56 ALA HA H 79 5.720 5.332 0.388 1 1 672 . 10 1 1 A 56 56 ALA C C 79 175.800 176.378 -0.578 1 1 673 . 10 1 1 A 56 56 ALA CA C 79 49.800 50.668 -0.868 1 1 674 . 10 1 1 A 56 56 ALA CB C 79 21.900 21.660 0.240 1 1 675 . 10 1 1 A 56 56 ALA N N 79 123.200 125.124 -1.924 1 1 676 . 10 1 1 A 57 57 GLY H H 80 8.410 8.487 -0.077 1 1 677 . 10 1 1 A 57 57 GLY HA2 H 80 4.400 4.121 0.279 1 1 678 . 10 1 1 A 57 57 GLY HA3 H 80 3.970 4.148 -0.178 1 1 679 . 10 1 1 A 57 57 GLY C C 80 174.800 171.281 3.519 1 1 680 . 10 1 1 A 57 57 GLY CA C 80 46.300 45.047 1.253 1 1 681 . 10 1 1 A 57 57 GLY N N 80 108.700 108.315 0.385 1 1 682 . 10 1 1 A 58 58 ARG H H 81 8.330 8.199 0.131 1 1 683 . 10 1 1 A 58 58 ARG HA H 81 4.440 4.918 -0.478 1 1 690 . 10 1 1 A 58 58 ARG C C 81 176.400 174.643 1.757 1 1 691 . 10 1 1 A 58 58 ARG CA C 81 54.700 54.777 -0.077 1 1 692 . 10 1 1 A 58 58 ARG CB C 81 32.300 32.839 -0.539 1 1 695 . 10 1 1 A 58 58 ARG N N 81 120.400 123.554 -3.154 1 1 696 . 10 1 1 A 59 59 HIS H H 82 9.040 8.853 0.187 1 1 697 . 10 1 1 A 59 59 HIS HA H 82 4.280 5.145 -0.865 1 1 702 . 10 1 1 A 59 59 HIS CA C 82 56.800 54.210 2.590 1 1 703 . 10 1 1 A 59 59 HIS CB C 82 30.900 30.523 0.377 1 1 705 . 10 1 1 A 59 59 HIS N N 82 124.300 120.358 3.942 1 1 708 . 10 1 1 A 60 60 PRO HA H 83 3.640 4.336 -0.696 1 1 715 . 10 1 1 A 60 60 PRO C C 83 177.000 176.521 0.479 1 1 716 . 10 1 1 A 60 60 PRO CA C 83 64.800 66.347 -1.547 1 1 717 . 10 1 1 A 60 60 PRO CB C 83 31.700 31.506 0.194 1 1 720 . 10 1 1 A 61 61 ASP H H 84 11.140 8.233 2.907 1 1 721 . 10 1 1 A 61 61 ASP HA H 84 4.700 4.757 -0.057 1 1 724 . 10 1 1 A 61 61 ASP C C 84 177.400 175.262 2.138 1 1 725 . 10 1 1 A 61 61 ASP CA C 84 53.900 53.622 0.278 1 1 726 . 10 1 1 A 61 61 ASP CB C 84 40.500 39.892 0.608 1 1 727 . 10 1 1 A 61 61 ASP N N 84 121.600 117.181 4.419 1 1 728 . 10 1 1 A 62 62 SER H H 85 8.190 7.744 0.446 1 1 729 . 10 1 1 A 62 62 SER HA H 85 4.030 4.702 -0.672 1 1 733 . 10 1 1 A 62 62 SER C C 85 173.400 173.834 -0.434 1 1 734 . 10 1 1 A 62 62 SER CA C 85 60.400 57.439 2.961 1 1 735 . 10 1 1 A 62 62 SER CB C 85 65.200 66.068 -0.868 1 1 736 . 10 1 1 A 62 62 SER N N 85 118.100 117.419 0.681 1 1 737 . 10 1 1 A 63 63 ASP H H 86 8.270 8.612 -0.342 1 1 738 . 10 1 1 A 63 63 ASP HA H 86 4.390 4.494 -0.104 1 1 741 . 10 1 1 A 63 63 ASP C C 86 177.200 177.085 0.115 1 1 742 . 10 1 1 A 63 63 ASP CA C 86 58.300 57.480 0.820 1 1 743 . 10 1 1 A 63 63 ASP CB C 86 42.100 41.122 0.978 1 1 744 . 10 1 1 A 63 63 ASP N N 86 125.600 123.268 2.332 1 1 745 . 10 1 1 A 64 64 ILE H H 87 8.470 7.778 0.692 1 1 746 . 10 1 1 A 64 64 ILE HA H 87 3.560 3.621 -0.061 1 1 756 . 10 1 1 A 64 64 ILE C C 87 172.900 174.986 -2.086 1 1 757 . 10 1 1 A 64 64 ILE CA C 87 60.500 60.507 -0.007 1 1 758 . 10 1 1 A 64 64 ILE CB C 87 37.400 38.018 -0.618 1 1 762 . 10 1 1 A 64 64 ILE N N 87 119.500 119.378 0.122 1 1 763 . 10 1 1 A 65 65 PHE H H 88 8.100 8.853 -0.753 1 1 764 . 10 1 1 A 65 65 PHE HA H 88 5.010 5.184 -0.174 1 1 772 . 10 1 1 A 65 65 PHE C C 88 174.000 173.766 0.234 1 1 773 . 10 1 1 A 65 65 PHE CA C 88 55.600 56.220 -0.620 1 1 774 . 10 1 1 A 65 65 PHE CB C 88 38.800 40.355 -1.555 1 1 779 . 10 1 1 A 65 65 PHE N N 88 127.100 128.162 -1.062 1 1 780 . 10 1 1 A 66 66 LEU H H 89 7.710 8.276 -0.566 1 1 781 . 10 1 1 A 66 66 LEU HA H 89 3.620 4.683 -1.063 1 1 791 . 10 1 1 A 66 66 LEU C C 89 173.500 174.853 -1.353 1 1 792 . 10 1 1 A 66 66 LEU CA C 89 52.100 53.374 -1.274 1 1 793 . 10 1 1 A 66 66 LEU CB C 89 41.300 42.242 -0.942 1 1 797 . 10 1 1 A 66 66 LEU N N 89 131.900 129.233 2.667 1 1 798 . 10 1 1 A 67 67 ASP H H 90 7.980 8.632 -0.652 1 1 799 . 10 1 1 A 67 67 ASP HA H 90 4.260 4.733 -0.473 1 1 802 . 10 1 1 A 67 67 ASP C C 90 174.800 174.213 0.587 1 1 803 . 10 1 1 A 67 67 ASP CA C 90 53.100 53.324 -0.224 1 1 804 . 10 1 1 A 67 67 ASP CB C 90 39.900 39.312 0.588 1 1 805 . 10 1 1 A 67 67 ASP N N 90 120.000 124.781 -4.781 1 1 806 . 10 1 1 A 68 68 ASP H H 91 7.480 7.473 0.007 1 1 807 . 10 1 1 A 68 68 ASP HA H 91 4.850 5.117 -0.267 1 1 810 . 10 1 1 A 68 68 ASP C C 91 175.600 176.416 -0.816 1 1 811 . 10 1 1 A 68 68 ASP CA C 91 54.900 52.966 1.934 1 1 812 . 10 1 1 A 68 68 ASP CB C 91 48.500 44.828 3.672 1 1 813 . 10 1 1 A 68 68 ASP N N 91 121.400 123.017 -1.617 1 1 814 . 10 1 1 A 69 69 VAL H H 92 8.370 8.778 -0.408 1 1 815 . 10 1 1 A 69 69 VAL HA H 92 4.060 3.868 0.192 1 1 823 . 10 1 1 A 69 69 VAL C C 92 175.900 177.856 -1.956 1 1 824 . 10 1 1 A 69 69 VAL CA C 92 64.800 65.197 -0.397 1 1 825 . 10 1 1 A 69 69 VAL CB C 92 31.700 31.576 0.124 1 1 828 . 10 1 1 A 69 69 VAL N N 92 121.900 122.133 -0.233 1 1 829 . 10 1 1 A 70 70 THR H H 93 8.360 7.629 0.731 1 1 830 . 10 1 1 A 70 70 THR HA H 93 4.060 4.189 -0.129 1 1 836 . 10 1 1 A 70 70 THR C C 93 175.100 174.670 0.430 1 1 837 . 10 1 1 A 70 70 THR CA C 93 63.700 65.464 -1.764 1 1 838 . 10 1 1 A 70 70 THR CB C 93 70.300 68.698 1.602 1 1 840 . 10 1 1 A 70 70 THR N N 93 111.100 112.107 -1.007 1 1 841 . 10 1 1 A 71 71 VAL H H 94 8.240 7.883 0.357 1 1 842 . 10 1 1 A 71 71 VAL HA H 94 4.520 4.199 0.321 1 1 850 . 10 1 1 A 71 71 VAL C C 94 176.800 174.990 1.810 1 1 851 . 10 1 1 A 71 71 VAL CA C 94 61.200 61.038 0.162 1 1 852 . 10 1 1 A 71 71 VAL CB C 94 33.500 32.266 1.234 1 1 855 . 10 1 1 A 71 71 VAL N N 94 125.500 123.280 2.220 1 1 856 . 10 1 1 A 72 72 SER H H 95 11.410 8.874 2.536 1 1 857 . 10 1 1 A 72 72 SER HA H 95 4.670 4.522 0.148 1 1 860 . 10 1 1 A 72 72 SER C C 95 174.500 175.496 -0.996 1 1 861 . 10 1 1 A 72 72 SER CA C 95 60.600 58.219 2.381 1 1 862 . 10 1 1 A 72 72 SER CB C 95 64.200 64.291 -0.091 1 1 863 . 10 1 1 A 72 72 SER N N 95 126.800 122.977 3.823 1 1 864 . 10 1 1 A 73 73 ARG H H 96 9.260 8.821 0.439 1 1 865 . 10 1 1 A 73 73 ARG HA H 96 3.770 3.935 -0.165 1 1 873 . 10 1 1 A 73 73 ARG C C 96 176.600 176.684 -0.084 1 1 874 . 10 1 1 A 73 73 ARG CA C 96 61.300 59.392 1.908 1 1 875 . 10 1 1 A 73 73 ARG CB C 96 29.800 30.064 -0.264 1 1 878 . 10 1 1 A 73 73 ARG N N 96 124.600 123.887 0.713 1 1 880 . 10 1 1 A 74 74 ARG H H 97 7.800 7.846 -0.046 1 1 881 . 10 1 1 A 74 74 ARG HA H 97 4.440 4.732 -0.292 1 1 889 . 10 1 1 A 74 74 ARG C C 97 173.100 176.472 -3.372 1 1 890 . 10 1 1 A 74 74 ARG CA C 97 54.800 55.073 -0.273 1 1 891 . 10 1 1 A 74 74 ARG CB C 97 29.300 30.553 -1.253 1 1 894 . 10 1 1 A 74 74 ARG N N 97 114.800 117.433 -2.633 1 1 896 . 10 1 1 A 75 75 HIS H H 98 7.840 7.972 -0.132 1 1 897 . 10 1 1 A 75 75 HIS HA H 98 4.430 4.234 0.196 1 1 903 . 10 1 1 A 75 75 HIS C C 98 173.800 174.531 -0.731 1 1 904 . 10 1 1 A 75 75 HIS CA C 98 57.800 59.793 -1.993 1 1 905 . 10 1 1 A 75 75 HIS CB C 98 35.000 30.214 4.786 1 1 908 . 10 1 1 A 75 75 HIS N N 98 124.400 119.362 5.038 1 1 910 . 10 1 1 A 76 76 ALA H H 99 8.490 7.674 0.816 1 1 911 . 10 1 1 A 76 76 ALA HA H 99 5.580 4.569 1.011 1 1 915 . 10 1 1 A 76 76 ALA C C 99 176.500 174.814 1.686 1 1 916 . 10 1 1 A 76 76 ALA CA C 99 50.300 51.455 -1.155 1 1 917 . 10 1 1 A 76 76 ALA CB C 99 23.200 22.921 0.279 1 1 918 . 10 1 1 A 76 76 ALA N N 99 116.600 118.101 -1.501 1 1 919 . 10 1 1 A 77 77 GLU H H 100 9.030 8.386 0.644 1 1 920 . 10 1 1 A 77 77 GLU HA H 100 5.030 5.058 -0.028 1 1 925 . 10 1 1 A 77 77 GLU C C 100 174.100 174.527 -0.427 1 1 926 . 10 1 1 A 77 77 GLU CA C 100 54.500 54.819 -0.319 1 1 927 . 10 1 1 A 77 77 GLU CB C 100 34.900 33.585 1.315 1 1 929 . 10 1 1 A 77 77 GLU N N 100 118.100 120.940 -2.840 1 1 930 . 10 1 1 A 78 78 PHE H H 101 9.400 8.580 0.820 1 1 931 . 10 1 1 A 78 78 PHE HA H 101 5.400 5.339 0.061 1 1 939 . 10 1 1 A 78 78 PHE C C 101 176.500 175.481 1.019 1 1 940 . 10 1 1 A 78 78 PHE CA C 101 56.700 56.367 0.333 1 1 941 . 10 1 1 A 78 78 PHE CB C 101 41.000 41.755 -0.755 1 1 946 . 10 1 1 A 78 78 PHE N N 101 119.600 123.744 -4.144 1 1 947 . 10 1 1 A 79 79 ARG H H 102 9.720 8.768 0.952 1 1 948 . 10 1 1 A 79 79 ARG HA H 102 5.490 5.151 0.339 1 1 956 . 10 1 1 A 79 79 ARG C C 102 174.300 174.277 0.023 1 1 957 . 10 1 1 A 79 79 ARG CA C 102 54.800 54.472 0.328 1 1 958 . 10 1 1 A 79 79 ARG CB C 102 33.100 34.259 -1.159 1 1 961 . 10 1 1 A 79 79 ARG N N 102 126.100 121.510 4.590 1 1 963 . 10 1 1 A 80 80 LEU H H 103 9.020 8.558 0.462 1 1 964 . 10 1 1 A 80 80 LEU HA H 103 4.400 4.983 -0.583 1 1 974 . 10 1 1 A 80 80 LEU C C 103 176.100 175.111 0.989 1 1 975 . 10 1 1 A 80 80 LEU CA C 103 54.100 54.100 0.000 1 1 976 . 10 1 1 A 80 80 LEU CB C 103 42.600 44.068 -1.468 1 1 980 . 10 1 1 A 80 80 LEU N N 103 128.000 125.325 2.675 1 1 981 . 10 1 1 A 81 81 GLU H H 104 8.860 8.614 0.246 1 1 982 . 10 1 1 A 81 81 GLU HA H 104 4.430 4.677 -0.247 1 1 987 . 10 1 1 A 81 81 GLU C C 104 175.800 176.180 -0.380 1 1 988 . 10 1 1 A 81 81 GLU CA C 104 55.500 55.594 -0.094 1 1 989 . 10 1 1 A 81 81 GLU CB C 104 32.600 32.115 0.485 1 1 991 . 10 1 1 A 81 81 GLU N N 104 128.600 126.380 2.220 1 1 992 . 10 1 1 A 82 82 ASN H H 105 9.410 9.103 0.307 1 1 993 . 10 1 1 A 82 82 ASN HA H 105 4.200 4.505 -0.305 1 1 998 . 10 1 1 A 82 82 ASN C C 105 174.300 175.123 -0.823 1 1 999 . 10 1 1 A 82 82 ASN CA C 105 54.700 55.638 -0.938 1 1 1000 . 10 1 1 A 82 82 ASN CB C 105 37.200 38.153 -0.953 1 1 1002 . 10 1 1 A 82 82 ASN N N 105 124.600 125.646 -1.046 1 1 1004 . 10 1 1 A 83 83 ASN H H 106 8.640 8.431 0.209 1 1 1005 . 10 1 1 A 83 83 ASN HA H 106 4.010 4.796 -0.786 1 1 1010 . 10 1 1 A 83 83 ASN C C 106 173.100 174.144 -1.044 1 1 1011 . 10 1 1 A 83 83 ASN CA C 106 54.900 52.130 2.770 1 1 1012 . 10 1 1 A 83 83 ASN CB C 106 38.100 39.544 -1.444 1 1 1014 . 10 1 1 A 83 83 ASN N N 106 108.900 119.065 -10.165 1 1 1016 . 10 1 1 A 84 84 GLU H H 107 7.660 8.017 -0.357 1 1 1017 . 10 1 1 A 84 84 GLU HA H 107 4.660 4.800 -0.140 1 1 1022 . 10 1 1 A 84 84 GLU C C 107 174.300 174.889 -0.589 1 1 1023 . 10 1 1 A 84 84 GLU CA C 107 54.700 54.549 0.151 1 1 1024 . 10 1 1 A 84 84 GLU CB C 107 32.900 32.961 -0.061 1 1 1026 . 10 1 1 A 84 84 GLU N N 107 118.300 117.335 0.965 1 1 1027 . 10 1 1 A 85 85 PHE H H 108 9.690 8.600 1.090 1 1 1028 . 10 1 1 A 85 85 PHE HA H 108 5.000 4.754 0.246 1 1 1035 . 10 1 1 A 85 85 PHE C C 108 174.500 176.101 -1.601 1 1 1036 . 10 1 1 A 85 85 PHE CA C 108 58.600 58.777 -0.177 1 1 1037 . 10 1 1 A 85 85 PHE CB C 108 41.800 40.018 1.782 1 1 1042 . 10 1 1 A 85 85 PHE N N 108 121.100 121.925 -0.825 1 1 1043 . 10 1 1 A 86 86 ASN H H 109 9.180 8.966 0.214 1 1 1044 . 10 1 1 A 86 86 ASN HA H 109 5.580 5.360 0.220 1 1 1049 . 10 1 1 A 86 86 ASN C C 109 175.000 173.827 1.173 1 1 1050 . 10 1 1 A 86 86 ASN CA C 109 51.200 52.362 -1.162 1 1 1051 . 10 1 1 A 86 86 ASN CB C 109 42.100 42.480 -0.380 1 1 1053 . 10 1 1 A 86 86 ASN N N 109 119.400 118.928 0.472 1 1 1055 . 10 1 1 A 87 87 VAL H H 110 9.060 8.767 0.293 1 1 1056 . 10 1 1 A 87 87 VAL HA H 110 4.940 4.781 0.159 1 1 1064 . 10 1 1 A 87 87 VAL C C 110 171.700 173.464 -1.764 1 1 1065 . 10 1 1 A 87 87 VAL CA C 110 58.400 59.599 -1.199 1 1 1066 . 10 1 1 A 87 87 VAL CB C 110 33.800 35.320 -1.520 1 1 1069 . 10 1 1 A 87 87 VAL N N 110 121.300 119.736 1.564 1 1 1070 . 10 1 1 A 88 88 VAL H H 111 8.640 8.575 0.065 1 1 1071 . 10 1 1 A 88 88 VAL HA H 111 4.590 4.591 -0.001 1 1 1079 . 10 1 1 A 88 88 VAL C C 111 175.700 174.026 1.674 1 1 1080 . 10 1 1 A 88 88 VAL CA C 111 60.100 60.633 -0.533 1 1 1081 . 10 1 1 A 88 88 VAL CB C 111 36.200 34.732 1.468 1 1 1084 . 10 1 1 A 88 88 VAL N N 111 125.500 128.035 -2.535 1 1 1085 . 10 1 1 A 89 89 ASP H H 112 8.480 8.655 -0.175 1 1 1086 . 10 1 1 A 89 89 ASP HA H 112 4.870 5.064 -0.194 1 1 1089 . 10 1 1 A 89 89 ASP C C 112 177.200 176.524 0.676 1 1 1090 . 10 1 1 A 89 89 ASP CA C 112 54.700 52.614 2.086 1 1 1091 . 10 1 1 A 89 89 ASP CB C 112 43.600 41.843 1.757 1 1 1092 . 10 1 1 A 89 89 ASP N N 112 126.600 126.459 0.141 1 1 1093 . 10 1 1 A 90 90 VAL H H 113 7.980 8.536 -0.556 1 1 1094 . 10 1 1 A 90 90 VAL HA H 113 4.540 4.419 0.121 1 1 1102 . 10 1 1 A 90 90 VAL C C 113 174.400 176.431 -2.031 1 1 1103 . 10 1 1 A 90 90 VAL CA C 113 60.300 61.383 -1.083 1 1 1104 . 10 1 1 A 90 90 VAL CB C 113 29.500 32.130 -2.630 1 1 1107 . 10 1 1 A 90 90 VAL N N 113 119.700 119.442 0.258 1 1 1108 . 10 1 1 A 91 91 GLY H H 114 8.600 7.989 0.611 1 1 1109 . 10 1 1 A 91 91 GLY HA2 H 114 4.260 3.625 0.635 1 1 1110 . 10 1 1 A 91 91 GLY HA3 H 114 3.720 3.826 -0.106 1 1 1111 . 10 1 1 A 91 91 GLY C C 114 175.300 174.501 0.799 1 1 1112 . 10 1 1 A 91 91 GLY CA C 114 45.700 45.641 0.059 1 1 1113 . 10 1 1 A 91 91 GLY N N 114 111.300 111.761 -0.461 1 1 1114 . 10 1 1 A 92 92 SER H H 115 9.190 8.580 0.610 1 1 1115 . 10 1 1 A 92 92 SER HA H 115 3.890 4.070 -0.180 1 1 1118 . 10 1 1 A 92 92 SER C C 115 174.500 176.601 -2.101 1 1 1119 . 10 1 1 A 92 92 SER CA C 115 58.600 61.117 -2.517 1 1 1120 . 10 1 1 A 92 92 SER CB C 115 61.300 62.740 -1.440 1 1 1121 . 10 1 1 A 92 92 SER N N 115 121.000 120.900 0.100 1 1 1122 . 10 1 1 A 93 93 LEU H H 116 7.720 7.879 -0.159 1 1 1123 . 10 1 1 A 93 93 LEU HA H 116 4.250 4.024 0.226 1 1 1133 . 10 1 1 A 93 93 LEU C C 116 179.100 178.044 1.056 1 1 1134 . 10 1 1 A 93 93 LEU CA C 116 57.200 58.033 -0.833 1 1 1135 . 10 1 1 A 93 93 LEU CB C 116 42.100 41.920 0.180 1 1 1139 . 10 1 1 A 93 93 LEU N N 116 120.500 122.627 -2.127 1 1 1140 . 10 1 1 A 94 94 ASN H H 117 8.450 8.172 0.278 1 1 1141 . 10 1 1 A 94 94 ASN HA H 117 4.870 5.007 -0.137 1 1 1146 . 10 1 1 A 94 94 ASN C C 117 175.800 175.419 0.381 1 1 1147 . 10 1 1 A 94 94 ASN CA C 117 54.000 55.009 -1.009 1 1 1148 . 10 1 1 A 94 94 ASN CB C 117 40.100 40.468 -0.368 1 1 1150 . 10 1 1 A 94 94 ASN N N 117 112.500 114.818 -2.318 1 1 1152 . 10 1 1 A 95 95 GLY H H 118 7.940 7.796 0.144 1 1 1153 . 10 1 1 A 95 95 GLY HA2 H 118 4.190 3.737 0.453 1 1 1154 . 10 1 1 A 95 95 GLY HA3 H 118 3.610 3.974 -0.364 1 1 1155 . 10 1 1 A 95 95 GLY C C 118 174.000 173.873 0.127 1 1 1156 . 10 1 1 A 95 95 GLY CA C 118 44.300 44.390 -0.090 1 1 1157 . 10 1 1 A 95 95 GLY N N 118 109.800 106.120 3.680 1 1 1158 . 10 1 1 A 96 96 THR H H 119 8.940 8.480 0.460 1 1 1159 . 10 1 1 A 96 96 THR HA H 119 3.820 4.761 -0.941 1 1 1165 . 10 1 1 A 96 96 THR C C 119 172.300 174.070 -1.770 1 1 1166 . 10 1 1 A 96 96 THR CA C 119 64.100 62.529 1.571 1 1 1167 . 10 1 1 A 96 96 THR CB C 119 70.200 69.764 0.436 1 1 1169 . 10 1 1 A 96 96 THR N N 119 122.000 115.644 6.356 1 1 1170 . 10 1 1 A 97 97 TYR H H 120 8.220 8.218 0.002 1 1 1171 . 10 1 1 A 97 97 TYR HA H 120 5.340 5.522 -0.182 1 1 1178 . 10 1 1 A 97 97 TYR C C 120 175.900 172.355 3.545 1 1 1179 . 10 1 1 A 97 97 TYR CA C 120 55.600 55.803 -0.203 1 1 1180 . 10 1 1 A 97 97 TYR CB C 120 41.400 41.888 -0.488 1 1 1185 . 10 1 1 A 97 97 TYR N N 120 122.800 119.578 3.222 1 1 1186 . 10 1 1 A 98 98 VAL H H 121 9.040 8.817 0.223 1 1 1187 . 10 1 1 A 98 98 VAL HA H 121 5.010 4.720 0.290 1 1 1195 . 10 1 1 A 98 98 VAL C C 121 176.900 175.166 1.734 1 1 1196 . 10 1 1 A 98 98 VAL CA C 121 61.100 59.620 1.480 1 1 1197 . 10 1 1 A 98 98 VAL CB C 121 33.000 34.469 -1.469 1 1 1200 . 10 1 1 A 98 98 VAL N N 121 121.400 121.662 -0.262 1 1 1201 . 10 1 1 A 99 99 ASN H H 122 10.100 9.568 0.532 1 1 1202 . 10 1 1 A 99 99 ASN HA H 122 4.440 4.506 -0.066 1 1 1207 . 10 1 1 A 99 99 ASN C C 122 174.500 175.388 -0.888 1 1 1208 . 10 1 1 A 99 99 ASN CA C 122 55.000 54.781 0.219 1 1 1209 . 10 1 1 A 99 99 ASN CB C 122 37.000 36.893 0.107 1 1 1211 . 10 1 1 A 99 99 ASN N N 122 129.400 128.453 0.947 1 1 1213 . 10 1 1 A 100 100 ARG H H 123 9.290 8.400 0.890 1 1 1214 . 10 1 1 A 100 100 ARG HA H 123 3.680 3.801 -0.121 1 1 1222 . 10 1 1 A 100 100 ARG C C 123 175.200 174.948 0.252 1 1 1223 . 10 1 1 A 100 100 ARG CA C 123 58.100 57.250 0.850 1 1 1224 . 10 1 1 A 100 100 ARG CB C 123 27.600 29.055 -1.455 1 1 1227 . 10 1 1 A 100 100 ARG N N 123 106.100 117.843 -11.743 1 1 1229 . 10 1 1 A 101 101 GLU H H 124 7.970 7.641 0.329 1 1 1230 . 10 1 1 A 101 101 GLU HA H 124 5.110 4.785 0.325 1 1 1235 . 10 1 1 A 101 101 GLU CA C 124 53.000 53.957 -0.957 1 1 1236 . 10 1 1 A 101 101 GLU CB C 124 30.900 30.494 0.406 1 1 1238 . 10 1 1 A 101 101 GLU N N 124 121.300 118.101 3.199 1 1 1239 . 10 1 1 A 102 102 PRO HA H 125 4.050 4.596 -0.546 1 1 1246 . 10 1 1 A 102 102 PRO C C 125 177.500 176.331 1.169 1 1 1247 . 10 1 1 A 102 102 PRO CA C 125 62.300 63.261 -0.961 1 1 1248 . 10 1 1 A 102 102 PRO CB C 125 31.300 32.287 -0.987 1 1 1251 . 10 1 1 A 103 103 VAL H H 126 8.330 8.112 0.218 1 1 1252 . 10 1 1 A 103 103 VAL HA H 126 4.700 4.805 -0.105 1 1 1260 . 10 1 1 A 103 103 VAL C C 126 174.500 175.731 -1.231 1 1 1261 . 10 1 1 A 103 103 VAL CA C 126 58.900 59.510 -0.610 1 1 1262 . 10 1 1 A 103 103 VAL CB C 126 35.300 35.693 -0.393 1 1 1265 . 10 1 1 A 103 103 VAL N N 126 115.000 116.686 -1.686 1 1 1266 . 10 1 1 A 104 104 ASP H H 127 8.520 8.680 -0.160 1 1 1267 . 10 1 1 A 104 104 ASP HA H 127 4.780 4.401 0.379 1 1 1270 . 10 1 1 A 104 104 ASP C C 127 176.200 176.302 -0.102 1 1 1271 . 10 1 1 A 104 104 ASP CA C 127 55.800 57.160 -1.360 1 1 1272 . 10 1 1 A 104 104 ASP CB C 127 41.100 41.969 -0.869 1 1 1273 . 10 1 1 A 104 104 ASP N N 127 120.800 123.247 -2.447 1 1 1274 . 10 1 1 A 105 105 SER H H 128 7.650 7.865 -0.215 1 1 1275 . 10 1 1 A 105 105 SER HA H 128 5.440 4.828 0.612 1 1 1278 . 10 1 1 A 105 105 SER C C 128 173.400 172.609 0.791 1 1 1279 . 10 1 1 A 105 105 SER CA C 128 56.600 57.439 -0.839 1 1 1280 . 10 1 1 A 105 105 SER CB C 128 65.000 65.633 -0.633 1 1 1281 . 10 1 1 A 105 105 SER N N 128 111.500 110.148 1.352 1 1 1282 . 10 1 1 A 106 106 ALA H H 129 8.790 8.095 0.695 1 1 1283 . 10 1 1 A 106 106 ALA HA H 129 4.610 4.931 -0.321 1 1 1287 . 10 1 1 A 106 106 ALA C C 129 175.300 176.211 -0.911 1 1 1288 . 10 1 1 A 106 106 ALA CA C 129 52.100 51.616 0.484 1 1 1289 . 10 1 1 A 106 106 ALA CB C 129 22.600 23.257 -0.657 1 1 1290 . 10 1 1 A 106 106 ALA N N 129 125.100 121.521 3.579 1 1 1291 . 10 1 1 A 107 107 VAL H H 130 8.340 8.777 -0.437 1 1 1292 . 10 1 1 A 107 107 VAL HA H 130 4.160 4.623 -0.463 1 1 1300 . 10 1 1 A 107 107 VAL C C 130 176.300 175.822 0.478 1 1 1301 . 10 1 1 A 107 107 VAL CA C 130 62.600 61.455 1.145 1 1 1302 . 10 1 1 A 107 107 VAL CB C 130 32.000 33.035 -1.035 1 1 1305 . 10 1 1 A 107 107 VAL N N 130 122.800 119.120 3.680 1 1 1306 . 10 1 1 A 108 108 LEU H H 131 8.490 8.487 0.003 1 1 1307 . 10 1 1 A 108 108 LEU HA H 131 4.370 4.270 0.100 1 1 1317 . 10 1 1 A 108 108 LEU C C 131 175.200 175.898 -0.698 1 1 1318 . 10 1 1 A 108 108 LEU CA C 131 54.200 54.708 -0.508 1 1 1319 . 10 1 1 A 108 108 LEU CB C 131 43.000 41.832 1.168 1 1 1323 . 10 1 1 A 108 108 LEU N N 131 128.900 127.942 0.958 1 1 1324 . 10 1 1 A 109 109 ALA H H 132 9.130 8.984 0.146 1 1 1325 . 10 1 1 A 109 109 ALA HA H 132 4.750 5.003 -0.253 1 1 1329 . 10 1 1 A 109 109 ALA C C 132 176.500 176.304 0.196 1 1 1330 . 10 1 1 A 109 109 ALA CA C 132 49.700 50.845 -1.145 1 1 1331 . 10 1 1 A 109 109 ALA CB C 132 22.400 23.506 -1.106 1 1 1332 . 10 1 1 A 109 109 ALA N N 132 126.000 122.235 3.765 1 1 1333 . 10 1 1 A 110 110 ASN H H 133 8.860 8.729 0.131 1 1 1334 . 10 1 1 A 110 110 ASN HA H 133 4.430 4.622 -0.192 1 1 1339 . 10 1 1 A 110 110 ASN C C 133 176.400 175.975 0.425 1 1 1340 . 10 1 1 A 110 110 ASN CA C 133 56.400 54.629 1.771 1 1 1341 . 10 1 1 A 110 110 ASN CB C 133 39.800 38.025 1.775 1 1 1343 . 10 1 1 A 110 110 ASN N N 133 117.600 116.959 0.641 1 1 1345 . 10 1 1 A 111 111 GLY H H 134 10.100 8.872 1.228 1 1 1346 . 10 1 1 A 111 111 GLY HA2 H 134 4.430 3.919 0.511 1 1 1347 . 10 1 1 A 111 111 GLY HA3 H 134 3.410 3.930 -0.520 1 1 1348 . 10 1 1 A 111 111 GLY C C 134 174.800 174.313 0.487 1 1 1349 . 10 1 1 A 111 111 GLY CA C 134 45.100 45.682 -0.582 1 1 1350 . 10 1 1 A 111 111 GLY N N 134 117.200 111.880 5.320 1 1 1351 . 10 1 1 A 112 112 ASP H H 135 8.640 7.995 0.645 1 1 1352 . 10 1 1 A 112 112 ASP HA H 135 4.430 4.845 -0.415 1 1 1355 . 10 1 1 A 112 112 ASP C C 135 174.700 174.836 -0.136 1 1 1356 . 10 1 1 A 112 112 ASP CA C 135 56.200 54.200 2.000 1 1 1357 . 10 1 1 A 112 112 ASP CB C 135 42.100 42.096 0.004 1 1 1358 . 10 1 1 A 112 112 ASP N N 135 122.900 120.986 1.914 1 1 1359 . 10 1 1 A 113 113 GLU H H 136 8.360 8.763 -0.403 1 1 1360 . 10 1 1 A 113 113 GLU HA H 136 5.220 5.000 0.220 1 1 1365 . 10 1 1 A 113 113 GLU C C 136 176.000 175.089 0.911 1 1 1366 . 10 1 1 A 113 113 GLU CA C 136 54.400 55.077 -0.677 1 1 1367 . 10 1 1 A 113 113 GLU CB C 136 32.900 32.744 0.156 1 1 1369 . 10 1 1 A 113 113 GLU N N 136 119.000 123.066 -4.066 1 1 1370 . 10 1 1 A 114 114 VAL H H 137 9.800 8.754 1.046 1 1 1371 . 10 1 1 A 114 114 VAL HA H 137 5.160 4.817 0.343 1 1 1379 . 10 1 1 A 114 114 VAL C C 137 174.400 174.315 0.085 1 1 1380 . 10 1 1 A 114 114 VAL CA C 137 60.400 60.960 -0.560 1 1 1381 . 10 1 1 A 114 114 VAL CB C 137 34.300 34.566 -0.266 1 1 1384 . 10 1 1 A 114 114 VAL N N 137 129.000 125.990 3.010 1 1 1385 . 10 1 1 A 115 115 GLN H H 138 9.610 8.842 0.768 1 1 1386 . 10 1 1 A 115 115 GLN HA H 138 5.430 5.039 0.391 1 1 1393 . 10 1 1 A 115 115 GLN C C 138 174.800 174.403 0.397 1 1 1394 . 10 1 1 A 115 115 GLN CA C 138 54.500 54.034 0.466 1 1 1395 . 10 1 1 A 115 115 GLN CB C 138 30.700 31.703 -1.003 1 1 1398 . 10 1 1 A 115 115 GLN N N 138 129.300 127.594 1.706 1 1 1399 . 10 1 1 A 116 116 ILE H H 139 8.400 8.724 -0.324 1 1 1400 . 10 1 1 A 116 116 ILE HA H 139 4.020 4.503 -0.483 1 1 1410 . 10 1 1 A 116 116 ILE C C 139 174.500 176.252 -1.752 1 1 1411 . 10 1 1 A 116 116 ILE CA C 139 60.600 59.957 0.643 1 1 1412 . 10 1 1 A 116 116 ILE CB C 139 40.900 40.412 0.488 1 1 1416 . 10 1 1 A 116 116 ILE N N 139 128.300 126.904 1.396 1 1 1417 . 10 1 1 A 117 117 GLY H H 140 9.650 8.635 1.015 1 1 1418 . 10 1 1 A 117 117 GLY HA2 H 140 3.820 3.813 0.007 1 1 1419 . 10 1 1 A 117 117 GLY HA3 H 140 3.630 3.851 -0.221 1 1 1420 . 10 1 1 A 117 117 GLY C C 140 175.400 174.818 0.582 1 1 1421 . 10 1 1 A 117 117 GLY CA C 140 46.500 46.960 -0.460 1 1 1422 . 10 1 1 A 117 117 GLY N N 140 116.800 115.212 1.588 1 1 1423 . 10 1 1 A 118 118 LYS H H 141 7.960 8.828 -0.868 1 1 1424 . 10 1 1 A 118 118 LYS HA H 141 4.070 4.291 -0.221 1 1 1433 . 10 1 1 A 118 118 LYS C C 141 175.600 176.681 -1.081 1 1 1434 . 10 1 1 A 118 118 LYS CA C 141 56.700 57.384 -0.684 1 1 1435 . 10 1 1 A 118 118 LYS CB C 141 32.600 32.974 -0.374 1 1 1439 . 10 1 1 A 118 118 LYS N N 141 122.400 125.998 -3.598 1 1 1440 . 10 1 1 A 119 119 PHE H H 142 8.260 7.749 0.511 1 1 1441 . 10 1 1 A 119 119 PHE HA H 142 4.540 4.621 -0.081 1 1 1449 . 10 1 1 A 119 119 PHE C C 142 174.700 176.554 -1.854 1 1 1450 . 10 1 1 A 119 119 PHE CA C 142 58.200 58.290 -0.090 1 1 1451 . 10 1 1 A 119 119 PHE CB C 142 39.900 40.262 -0.362 1 1 1456 . 10 1 1 A 119 119 PHE N N 142 119.500 117.524 1.976 1 1 1457 . 10 1 1 A 120 120 ARG H H 143 8.690 8.659 0.031 1 1 1458 . 10 1 1 A 120 120 ARG HA H 143 5.020 5.093 -0.073 1 1 1465 . 10 1 1 A 120 120 ARG C C 143 174.800 175.549 -0.749 1 1 1466 . 10 1 1 A 120 120 ARG CA C 143 55.100 54.905 0.195 1 1 1467 . 10 1 1 A 120 120 ARG CB C 143 32.800 33.247 -0.447 1 1 1470 . 10 1 1 A 120 120 ARG N N 143 121.500 121.397 0.103 1 1 1471 . 10 1 1 A 121 121 LEU H H 144 9.760 8.622 1.138 1 1 1472 . 10 1 1 A 121 121 LEU HA H 144 5.420 5.108 0.312 1 1 1482 . 10 1 1 A 121 121 LEU C C 144 175.000 175.227 -0.227 1 1 1483 . 10 1 1 A 121 121 LEU CA C 144 53.900 53.695 0.205 1 1 1484 . 10 1 1 A 121 121 LEU CB C 144 44.900 46.122 -1.222 1 1 1488 . 10 1 1 A 121 121 LEU N N 144 126.400 124.172 2.228 1 1 1489 . 10 1 1 A 122 122 VAL H H 145 9.370 8.866 0.504 1 1 1490 . 10 1 1 A 122 122 VAL HA H 145 5.010 5.096 -0.086 1 1 1498 . 10 1 1 A 122 122 VAL C C 145 173.700 173.285 0.415 1 1 1499 . 10 1 1 A 122 122 VAL CA C 145 60.800 59.373 1.427 1 1 1500 . 10 1 1 A 122 122 VAL CB C 145 34.300 34.802 -0.502 1 1 1503 . 10 1 1 A 122 122 VAL N N 145 121.900 122.339 -0.439 1 1 1504 . 10 1 1 A 123 123 PHE H H 146 8.830 9.097 -0.267 1 1 1505 . 10 1 1 A 123 123 PHE HA H 146 4.980 4.904 0.076 1 1 1513 . 10 1 1 A 123 123 PHE C C 146 172.700 173.953 -1.253 1 1 1514 . 10 1 1 A 123 123 PHE CA C 146 57.100 56.430 0.670 1 1 1515 . 10 1 1 A 123 123 PHE CB C 146 41.100 40.235 0.865 1 1 1521 . 10 1 1 A 123 123 PHE N N 146 128.700 130.263 -1.563 1 1 1522 . 10 1 1 A 124 124 LEU H H 147 8.650 8.304 0.346 1 1 1523 . 10 1 1 A 124 124 LEU HA H 147 5.020 4.855 0.165 1 1 1533 . 10 1 1 A 124 124 LEU C C 147 175.300 175.871 -0.571 1 1 1534 . 10 1 1 A 124 124 LEU CA C 147 52.600 53.359 -0.759 1 1 1535 . 10 1 1 A 124 124 LEU CB C 147 45.600 45.300 0.300 1 1 1539 . 10 1 1 A 124 124 LEU N N 147 128.000 128.322 -0.322 1 1 1540 . 10 1 1 A 125 125 THR H H 148 8.300 8.615 -0.315 1 1 1541 . 10 1 1 A 125 125 THR HA H 148 4.330 4.619 -0.289 1 1 1546 . 10 1 1 A 125 125 THR C C 148 173.900 174.533 -0.633 1 1 1547 . 10 1 1 A 125 125 THR CA C 148 60.200 60.235 -0.035 1 1 1548 . 10 1 1 A 125 125 THR CB C 148 70.300 71.394 -1.094 1 1 1550 . 10 1 1 A 125 125 THR N N 148 110.600 114.837 -4.237 1 1 1551 . 10 1 1 A 126 126 GLY H H 149 8.310 8.177 0.133 1 1 1552 . 10 1 1 A 126 126 GLY HA2 H 149 3.840 3.711 0.129 1 1 1553 . 10 1 1 A 126 126 GLY HA3 H 149 3.840 3.852 -0.012 1 1 1554 . 10 1 1 A 126 126 GLY CA C 149 45.200 47.121 -1.921 1 1 1555 . 10 1 1 A 126 126 GLY N N 149 109.800 108.982 0.818 1 1 1556 . 10 1 1 A 127 127 HIS H H 150 8.310 8.206 0.104 1 1 1557 . 10 1 1 A 127 127 HIS HA H 150 4.630 4.223 0.407 1 1 1562 . 10 1 1 A 127 127 HIS C C 150 174.800 173.846 0.954 1 1 1563 . 10 1 1 A 127 127 HIS CA C 150 55.900 58.277 -2.377 1 1 1564 . 10 1 1 A 127 127 HIS CB C 150 30.700 28.300 2.400 1 1 1567 . 10 1 1 A 127 127 HIS N N 150 119.300 120.104 -0.804 1 1 1570 . 10 1 1 A 128 128 LYS H H 151 8.490 8.632 -0.142 1 1 1571 . 10 1 1 A 128 128 LYS HA H 151 4.300 4.177 0.123 1 1 1580 . 10 1 1 A 128 128 LYS C C 151 176.200 177.082 -0.882 1 1 1581 . 10 1 1 A 128 128 LYS CA C 151 56.100 56.782 -0.682 1 1 1582 . 10 1 1 A 128 128 LYS CB C 151 33.200 32.957 0.243 1 1 1586 . 10 1 1 A 128 128 LYS N N 151 123.800 121.007 2.793 1 1 1587 . 10 1 1 A 129 129 GLN H H 152 8.640 8.328 0.312 1 1 1588 . 10 1 1 A 129 129 GLN HA H 152 4.270 4.644 -0.374 1 1 1595 . 10 1 1 A 129 129 GLN C C 152 176.500 176.141 0.359 1 1 1596 . 10 1 1 A 129 129 GLN CA C 152 56.400 55.344 1.056 1 1 1597 . 10 1 1 A 129 129 GLN CB C 152 29.500 29.549 -0.049 1 1 1600 . 10 1 1 A 129 129 GLN N N 152 122.900 122.622 0.278 1 1 1602 . 10 1 1 A 130 130 GLY H H 153 8.640 8.678 -0.038 1 1 1603 . 10 1 1 A 130 130 GLY HA2 H 153 3.990 4.197 -0.207 1 1 1604 . 10 1 1 A 130 130 GLY HA3 H 153 3.910 4.197 -0.287 1 1 1605 . 10 1 1 A 130 130 GLY C C 153 174.100 173.917 0.183 1 1 1606 . 10 1 1 A 130 130 GLY CA C 153 45.400 45.804 -0.404 1 1 1607 . 10 1 1 A 130 130 GLY N N 153 111.100 108.074 3.026 1 1 1608 . 10 1 1 A 131 131 GLU H H 154 8.220 8.073 0.147 1 1 1609 . 10 1 1 A 131 131 GLU HA H 154 4.260 4.307 -0.047 1 1 1614 . 10 1 1 A 131 131 GLU C C 154 176.100 175.006 1.094 1 1 1615 . 10 1 1 A 131 131 GLU CA C 154 56.600 57.282 -0.682 1 1 1616 . 10 1 1 A 131 131 GLU CB C 154 30.600 30.356 0.244 1 1 1618 . 10 1 1 A 131 131 GLU N N 154 120.500 120.702 -0.202 1 1 1619 . 10 1 1 A 132 132 ASP H H 155 8.530 8.579 -0.049 1 1 1620 . 10 1 1 A 132 132 ASP HA H 155 4.560 4.956 -0.396 1 1 1623 . 10 1 1 A 132 132 ASP C C 155 176.300 174.536 1.764 1 1 1624 . 10 1 1 A 132 132 ASP CA C 155 54.300 53.980 0.320 1 1 1625 . 10 1 1 A 132 132 ASP CB C 155 41.000 43.096 -2.096 1 1 1626 . 10 1 1 A 132 132 ASP N N 155 121.300 123.278 -1.978 1 1 1627 . 10 1 1 A 133 133 LEU H H 156 8.230 9.013 -0.783 1 1 1628 . 10 1 1 A 133 133 LEU HA H 156 4.200 4.778 -0.578 1 1 1638 . 10 1 1 A 133 133 LEU C C 156 177.700 176.635 1.065 1 1 1639 . 10 1 1 A 133 133 LEU CA C 156 55.500 53.858 1.642 1 1 1640 . 10 1 1 A 133 133 LEU CB C 156 42.100 42.845 -0.745 1 1 1644 . 10 1 1 A 133 133 LEU N N 156 122.500 126.734 -4.234 1 1 1645 . 10 1 1 A 134 134 GLU H H 157 8.270 8.646 -0.376 1 1 1646 . 10 1 1 A 134 134 GLU HA H 157 4.100 4.601 -0.501 1 1 1651 . 10 1 1 A 134 134 GLU C C 157 177.300 175.811 1.489 1 1 1652 . 10 1 1 A 134 134 GLU CA C 157 56.900 56.293 0.607 1 1 1653 . 10 1 1 A 134 134 GLU CB C 157 30.000 30.039 -0.039 1 1 1655 . 10 1 1 A 134 134 GLU N N 157 119.800 124.682 -4.882 1 1 1656 . 10 1 1 A 135 135 HIS H H 158 8.150 8.138 0.012 1 1 1657 . 10 1 1 A 135 135 HIS HA H 158 4.530 4.978 -0.448 1 1 1662 . 10 1 1 A 135 135 HIS CA C 158 56.100 55.797 0.303 1 1 1663 . 10 1 1 A 135 135 HIS CB C 158 30.000 33.103 -3.103 1 1 1664 . 10 1 1 A 135 135 HIS N N 158 118.500 122.046 -3.546 1 1 1665 . 10 1 1 A 139 139 HIS HA H 162 4.590 4.236 0.354 1 1 1668 . 10 1 1 A 139 139 HIS C C 162 173.900 174.531 -0.631 1 1 1669 . 10 1 1 A 139 139 HIS CA C 162 55.900 55.720 0.180 1 1 1670 . 10 1 1 A 139 139 HIS CB C 162 30.100 30.793 -0.693 1 1 15 . 11 1 1 A 2 2 PHE H H 25 8.640 8.541 0.099 1 1 16 . 11 1 1 A 2 2 PHE HA H 25 4.630 4.900 -0.270 1 1 24 . 11 1 1 A 2 2 PHE C C 25 175.000 176.576 -1.576 1 1 25 . 11 1 1 A 2 2 PHE CA C 25 58.000 56.863 1.137 1 1 26 . 11 1 1 A 2 2 PHE CB C 25 39.700 41.246 -1.546 1 1 31 . 11 1 1 A 3 3 ARG H H 26 8.210 7.366 0.844 1 1 32 . 11 1 1 A 3 3 ARG HA H 26 4.200 3.276 0.924 1 1 40 . 11 1 1 A 3 3 ARG C C 26 175.100 175.677 -0.577 1 1 41 . 11 1 1 A 3 3 ARG CA C 26 55.600 57.799 -2.199 1 1 42 . 11 1 1 A 3 3 ARG CB C 26 31.300 28.000 3.300 1 1 45 . 11 1 1 A 3 3 ARG N N 26 125.000 114.379 10.621 1 1 47 . 11 1 1 A 4 4 ALA H H 27 8.260 8.511 -0.251 1 1 48 . 11 1 1 A 4 4 ALA HA H 27 4.090 4.492 -0.402 1 1 52 . 11 1 1 A 4 4 ALA C C 27 177.300 176.942 0.358 1 1 53 . 11 1 1 A 4 4 ALA CA C 27 52.800 53.785 -0.985 1 1 54 . 11 1 1 A 4 4 ALA CB C 27 19.200 18.660 0.540 1 1 55 . 11 1 1 A 4 4 ALA N N 27 125.400 120.349 5.051 1 1 56 . 11 1 1 A 5 5 ASP H H 28 8.260 9.273 -1.013 1 1 57 . 11 1 1 A 5 5 ASP HA H 28 4.470 4.386 0.084 1 1 60 . 11 1 1 A 5 5 ASP C C 28 176.200 175.017 1.183 1 1 61 . 11 1 1 A 5 5 ASP CA C 28 54.500 55.221 -0.721 1 1 62 . 11 1 1 A 5 5 ASP CB C 28 40.700 40.327 0.373 1 1 63 . 11 1 1 A 5 5 ASP N N 28 118.200 120.530 -2.330 1 1 64 . 11 1 1 A 6 6 PHE H H 29 7.930 7.788 0.142 1 1 65 . 11 1 1 A 6 6 PHE HA H 29 4.510 4.713 -0.203 1 1 73 . 11 1 1 A 6 6 PHE C C 29 175.700 175.711 -0.011 1 1 74 . 11 1 1 A 6 6 PHE CA C 29 58.000 55.795 2.205 1 1 75 . 11 1 1 A 6 6 PHE CB C 29 39.300 40.278 -0.978 1 1 81 . 11 1 1 A 6 6 PHE N N 29 119.400 113.849 5.551 1 1 82 . 11 1 1 A 7 7 LEU H H 30 8.000 8.695 -0.695 1 1 83 . 11 1 1 A 7 7 LEU HA H 30 4.210 3.818 0.392 1 1 93 . 11 1 1 A 7 7 LEU C C 30 177.400 176.309 1.091 1 1 94 . 11 1 1 A 7 7 LEU CA C 30 55.400 57.327 -1.927 1 1 95 . 11 1 1 A 7 7 LEU CB C 30 42.200 41.586 0.614 1 1 99 . 11 1 1 A 7 7 LEU N N 30 122.100 119.385 2.715 1 1 100 . 11 1 1 A 8 8 SER H H 31 8.130 4.780 3.350 1 1 101 . 11 1 1 A 8 8 SER HA H 31 4.330 3.780 0.550 1 1 104 . 11 1 1 A 8 8 SER C C 31 174.900 174.512 0.388 1 1 105 . 11 1 1 A 8 8 SER CA C 31 58.800 58.519 0.281 1 1 106 . 11 1 1 A 8 8 SER CB C 31 63.800 60.606 3.194 1 1 107 . 11 1 1 A 8 8 SER N N 31 116.000 112.965 3.035 1 1 108 . 11 1 1 A 9 9 GLU H H 32 8.380 7.806 0.574 1 1 109 . 11 1 1 A 9 9 GLU HA H 32 4.240 3.946 0.294 1 1 114 . 11 1 1 A 9 9 GLU C C 32 176.600 178.602 -2.002 1 1 115 . 11 1 1 A 9 9 GLU CA C 32 57.000 58.660 -1.660 1 1 116 . 11 1 1 A 9 9 GLU CB C 32 30.000 29.675 0.325 1 1 118 . 11 1 1 A 9 9 GLU N N 32 122.200 122.702 -0.502 1 1 119 . 11 1 1 A 10 10 LEU H H 33 7.990 7.937 0.053 1 1 120 . 11 1 1 A 10 10 LEU HA H 33 4.220 4.084 0.136 1 1 130 . 11 1 1 A 10 10 LEU C C 33 177.100 177.328 -0.228 1 1 131 . 11 1 1 A 10 10 LEU CA C 33 55.500 57.721 -2.221 1 1 132 . 11 1 1 A 10 10 LEU CB C 33 42.200 42.112 0.088 1 1 136 . 11 1 1 A 10 10 LEU N N 33 121.200 120.715 0.485 1 1 137 . 11 1 1 A 11 11 ASP H H 34 8.090 7.349 0.741 1 1 138 . 11 1 1 A 11 11 ASP HA H 34 4.550 4.788 -0.238 1 1 141 . 11 1 1 A 11 11 ASP C C 34 175.400 175.660 -0.260 1 1 142 . 11 1 1 A 11 11 ASP CA C 34 54.200 53.935 0.265 1 1 143 . 11 1 1 A 11 11 ASP CB C 34 41.300 41.595 -0.295 1 1 144 . 11 1 1 A 11 11 ASP N N 34 120.000 119.776 0.224 1 1 145 . 11 1 1 A 12 12 ALA H H 35 7.950 8.463 -0.513 1 1 146 . 11 1 1 A 12 12 ALA HA H 35 4.510 4.836 -0.326 1 1 150 . 11 1 1 A 12 12 ALA CA C 35 50.800 49.985 0.815 1 1 151 . 11 1 1 A 12 12 ALA CB C 35 18.300 19.260 -0.960 1 1 152 . 11 1 1 A 12 12 ALA N N 35 124.600 128.189 -3.589 1 1 153 . 11 1 1 A 13 13 PRO HA H 36 4.360 4.524 -0.164 1 1 160 . 11 1 1 A 13 13 PRO C C 36 176.900 177.016 -0.116 1 1 161 . 11 1 1 A 13 13 PRO CA C 36 63.200 62.534 0.666 1 1 162 . 11 1 1 A 13 13 PRO CB C 36 32.000 32.003 -0.003 1 1 165 . 11 1 1 A 14 14 ALA H H 37 8.390 8.300 0.090 1 1 166 . 11 1 1 A 14 14 ALA HA H 37 4.230 4.212 0.018 1 1 170 . 11 1 1 A 14 14 ALA C C 37 177.900 177.136 0.764 1 1 171 . 11 1 1 A 14 14 ALA CA C 37 52.600 52.916 -0.316 1 1 172 . 11 1 1 A 14 14 ALA CB C 37 19.300 19.132 0.168 1 1 173 . 11 1 1 A 14 14 ALA N N 37 123.900 124.297 -0.397 1 1 174 . 11 1 1 A 15 15 GLN H H 38 8.330 7.846 0.484 1 1 175 . 11 1 1 A 15 15 GLN HA H 38 4.280 4.215 0.065 1 1 182 . 11 1 1 A 15 15 GLN C C 38 175.800 175.780 0.020 1 1 183 . 11 1 1 A 15 15 GLN CA C 38 55.700 56.139 -0.439 1 1 184 . 11 1 1 A 15 15 GLN CB C 38 29.600 29.317 0.283 1 1 187 . 11 1 1 A 15 15 GLN N N 38 119.300 120.131 -0.831 1 1 189 . 11 1 1 A 16 16 ALA H H 39 8.410 8.293 0.117 1 1 190 . 11 1 1 A 16 16 ALA HA H 39 4.070 4.185 -0.115 1 1 194 . 11 1 1 A 16 16 ALA C C 39 178.200 177.018 1.182 1 1 195 . 11 1 1 A 16 16 ALA CA C 39 52.800 52.723 0.077 1 1 196 . 11 1 1 A 16 16 ALA CB C 39 19.300 19.715 -0.415 1 1 197 . 11 1 1 A 16 16 ALA N N 39 125.600 126.104 -0.504 1 1 198 . 11 1 1 A 17 17 GLY H H 40 8.510 8.382 0.128 1 1 199 . 11 1 1 A 17 17 GLY HA2 H 40 4.010 4.221 -0.211 1 1 200 . 11 1 1 A 17 17 GLY HA3 H 40 4.010 4.222 -0.212 1 1 201 . 11 1 1 A 17 17 GLY C C 40 174.600 173.141 1.459 1 1 202 . 11 1 1 A 17 17 GLY CA C 40 45.400 45.927 -0.527 1 1 203 . 11 1 1 A 17 17 GLY N N 40 108.500 106.269 2.231 1 1 204 . 11 1 1 A 18 18 THR H H 41 8.020 8.440 -0.420 1 1 205 . 11 1 1 A 18 18 THR HA H 41 4.320 4.444 -0.124 1 1 210 . 11 1 1 A 18 18 THR C C 41 174.900 173.049 1.851 1 1 211 . 11 1 1 A 18 18 THR CA C 41 62.100 62.086 0.014 1 1 212 . 11 1 1 A 18 18 THR CB C 41 69.900 66.988 2.912 1 1 214 . 11 1 1 A 18 18 THR N N 41 112.900 113.632 -0.732 1 1 215 . 11 1 1 A 19 19 GLU H H 42 8.630 8.634 -0.004 1 1 216 . 11 1 1 A 19 19 GLU HA H 42 4.300 4.380 -0.080 1 1 221 . 11 1 1 A 19 19 GLU C C 42 176.600 176.685 -0.085 1 1 222 . 11 1 1 A 19 19 GLU CA C 42 56.900 56.795 0.105 1 1 223 . 11 1 1 A 19 19 GLU CB C 42 30.000 30.230 -0.230 1 1 225 . 11 1 1 A 19 19 GLU N N 42 123.000 124.594 -1.594 1 1 226 . 11 1 1 A 20 20 SER H H 43 8.330 8.657 -0.327 1 1 227 . 11 1 1 A 20 20 SER HA H 43 4.400 4.510 -0.110 1 1 230 . 11 1 1 A 20 20 SER C C 43 174.300 174.842 -0.542 1 1 231 . 11 1 1 A 20 20 SER CA C 43 58.500 58.990 -0.490 1 1 232 . 11 1 1 A 20 20 SER CB C 43 63.900 63.911 -0.011 1 1 233 . 11 1 1 A 20 20 SER N N 43 116.600 121.335 -4.735 1 1 234 . 11 1 1 A 21 21 ALA H H 44 8.320 8.603 -0.283 1 1 235 . 11 1 1 A 21 21 ALA HA H 44 4.300 4.712 -0.412 1 1 239 . 11 1 1 A 21 21 ALA C C 44 177.700 176.674 1.026 1 1 240 . 11 1 1 A 21 21 ALA CA C 44 52.700 51.288 1.412 1 1 241 . 11 1 1 A 21 21 ALA CB C 44 19.300 19.502 -0.202 1 1 242 . 11 1 1 A 21 21 ALA N N 44 126.000 125.115 0.885 1 1 243 . 11 1 1 A 22 22 VAL H H 45 8.040 7.034 1.006 1 1 244 . 11 1 1 A 22 22 VAL HA H 45 4.100 4.308 -0.208 1 1 252 . 11 1 1 A 22 22 VAL C C 45 176.100 175.790 0.310 1 1 253 . 11 1 1 A 22 22 VAL CA C 45 62.300 60.774 1.526 1 1 254 . 11 1 1 A 22 22 VAL CB C 45 32.700 33.728 -1.028 1 1 257 . 11 1 1 A 22 22 VAL N N 45 118.100 119.375 -1.275 1 1 258 . 11 1 1 A 23 23 SER H H 46 8.370 8.618 -0.248 1 1 259 . 11 1 1 A 23 23 SER HA H 46 4.410 4.586 -0.176 1 1 262 . 11 1 1 A 23 23 SER C C 46 174.900 174.365 0.535 1 1 263 . 11 1 1 A 23 23 SER CA C 46 58.500 58.356 0.144 1 1 264 . 11 1 1 A 23 23 SER CB C 46 63.900 64.551 -0.651 1 1 265 . 11 1 1 A 23 23 SER N N 46 119.100 121.868 -2.768 1 1 266 . 11 1 1 A 24 24 GLY H H 47 8.370 8.463 -0.093 1 1 267 . 11 1 1 A 24 24 GLY HA2 H 47 3.950 4.043 -0.093 1 1 268 . 11 1 1 A 24 24 GLY HA3 H 47 3.950 4.044 -0.094 1 1 269 . 11 1 1 A 24 24 GLY C C 47 174.200 173.748 0.452 1 1 270 . 11 1 1 A 24 24 GLY CA C 47 45.400 44.445 0.955 1 1 271 . 11 1 1 A 24 24 GLY N N 47 110.500 109.275 1.225 1 1 272 . 11 1 1 A 25 25 VAL H H 48 7.980 8.426 -0.446 1 1 273 . 11 1 1 A 25 25 VAL HA H 48 4.040 4.315 -0.275 1 1 281 . 11 1 1 A 25 25 VAL C C 48 176.100 175.433 0.667 1 1 282 . 11 1 1 A 25 25 VAL CA C 48 62.200 62.639 -0.439 1 1 283 . 11 1 1 A 25 25 VAL CB C 48 32.500 31.541 0.959 1 1 286 . 11 1 1 A 25 25 VAL N N 48 118.100 121.360 -3.260 1 1 287 . 11 1 1 A 26 26 GLU H H 49 8.580 8.848 -0.268 1 1 288 . 11 1 1 A 26 26 GLU HA H 49 4.160 4.452 -0.292 1 1 293 . 11 1 1 A 26 26 GLU C C 49 176.900 176.402 0.498 1 1 294 . 11 1 1 A 26 26 GLU CA C 49 57.400 57.412 -0.012 1 1 295 . 11 1 1 A 26 26 GLU CB C 49 29.800 30.917 -1.117 1 1 297 . 11 1 1 A 26 26 GLU N N 49 123.900 126.048 -2.148 1 1 298 . 11 1 1 A 27 27 GLY H H 50 8.330 7.863 0.467 1 1 299 . 11 1 1 A 27 27 GLY HA2 H 50 3.890 4.051 -0.161 1 1 300 . 11 1 1 A 27 27 GLY HA3 H 50 3.830 4.059 -0.229 1 1 301 . 11 1 1 A 27 27 GLY C C 50 173.800 173.144 0.656 1 1 302 . 11 1 1 A 27 27 GLY CA C 50 45.200 44.964 0.236 1 1 303 . 11 1 1 A 27 27 GLY N N 50 109.500 109.319 0.181 1 1 304 . 11 1 1 A 28 28 LEU H H 51 7.770 8.492 -0.722 1 1 305 . 11 1 1 A 28 28 LEU HA H 51 4.470 4.807 -0.337 1 1 315 . 11 1 1 A 28 28 LEU CA C 51 52.800 51.838 0.962 1 1 316 . 11 1 1 A 28 28 LEU CB C 51 42.200 42.332 -0.132 1 1 320 . 11 1 1 A 28 28 LEU N N 51 123.000 118.398 4.602 1 1 321 . 11 1 1 A 29 29 PRO HA H 52 4.660 4.307 0.353 1 1 328 . 11 1 1 A 29 29 PRO CA C 52 61.600 65.262 -3.662 1 1 329 . 11 1 1 A 29 29 PRO CB C 52 30.800 31.975 -1.175 1 1 332 . 11 1 1 A 30 30 PRO HA H 53 4.340 4.356 -0.016 1 1 339 . 11 1 1 A 30 30 PRO C C 53 177.500 177.407 0.093 1 1 340 . 11 1 1 A 30 30 PRO CA C 53 63.500 64.563 -1.063 1 1 341 . 11 1 1 A 30 30 PRO CB C 53 32.000 31.943 0.057 1 1 344 . 11 1 1 A 31 31 GLY H H 54 8.690 8.114 0.576 1 1 345 . 11 1 1 A 31 31 GLY HA2 H 54 4.060 3.976 0.084 1 1 346 . 11 1 1 A 31 31 GLY HA3 H 54 3.660 3.996 -0.336 1 1 347 . 11 1 1 A 31 31 GLY C C 54 172.900 174.725 -1.825 1 1 348 . 11 1 1 A 31 31 GLY CA C 54 45.400 46.786 -1.386 1 1 349 . 11 1 1 A 31 31 GLY N N 54 110.100 109.972 0.128 1 1 350 . 11 1 1 A 32 32 LEU H H 55 7.510 8.015 -0.505 1 1 351 . 11 1 1 A 32 32 LEU HA H 55 4.960 5.060 -0.100 1 1 361 . 11 1 1 A 32 32 LEU C C 55 175.400 175.918 -0.518 1 1 362 . 11 1 1 A 32 32 LEU CA C 55 54.100 53.753 0.347 1 1 363 . 11 1 1 A 32 32 LEU CB C 55 44.400 43.231 1.169 1 1 367 . 11 1 1 A 32 32 LEU N N 55 119.300 120.976 -1.676 1 1 368 . 11 1 1 A 33 33 ALA H H 56 7.840 8.462 -0.622 1 1 369 . 11 1 1 A 33 33 ALA HA H 56 4.500 4.919 -0.419 1 1 373 . 11 1 1 A 33 33 ALA C C 56 178.200 175.196 3.004 1 1 374 . 11 1 1 A 33 33 ALA CA C 56 51.100 50.688 0.412 1 1 375 . 11 1 1 A 33 33 ALA CB C 56 23.900 23.558 0.342 1 1 376 . 11 1 1 A 33 33 ALA N N 56 121.800 120.595 1.205 1 1 377 . 11 1 1 A 34 34 LEU H H 57 8.640 8.114 0.526 1 1 378 . 11 1 1 A 34 34 LEU HA H 57 4.930 5.132 -0.202 1 1 388 . 11 1 1 A 34 34 LEU C C 57 174.400 175.706 -1.306 1 1 389 . 11 1 1 A 34 34 LEU CA C 57 53.400 53.553 -0.153 1 1 390 . 11 1 1 A 34 34 LEU CB C 57 47.300 45.476 1.824 1 1 394 . 11 1 1 A 34 34 LEU N N 57 119.200 119.874 -0.674 1 1 395 . 11 1 1 A 35 35 LEU H H 58 8.640 8.341 0.299 1 1 396 . 11 1 1 A 35 35 LEU HA H 58 5.440 5.407 0.033 1 1 406 . 11 1 1 A 35 35 LEU C C 58 176.200 175.791 0.409 1 1 407 . 11 1 1 A 35 35 LEU CA C 58 52.600 53.412 -0.812 1 1 408 . 11 1 1 A 35 35 LEU CB C 58 46.000 44.617 1.383 1 1 412 . 11 1 1 A 35 35 LEU N N 58 119.400 121.981 -2.581 1 1 413 . 11 1 1 A 36 36 VAL H H 59 8.960 8.989 -0.029 1 1 414 . 11 1 1 A 36 36 VAL HA H 59 4.860 5.125 -0.265 1 1 422 . 11 1 1 A 36 36 VAL C C 59 176.400 175.097 1.303 1 1 423 . 11 1 1 A 36 36 VAL CA C 59 59.900 60.066 -0.166 1 1 424 . 11 1 1 A 36 36 VAL CB C 59 34.600 34.697 -0.097 1 1 427 . 11 1 1 A 36 36 VAL N N 59 120.700 123.658 -2.958 1 1 428 . 11 1 1 A 37 37 VAL H H 60 8.830 8.877 -0.047 1 1 429 . 11 1 1 A 37 37 VAL HA H 60 4.170 4.185 -0.015 1 1 437 . 11 1 1 A 37 37 VAL C C 60 176.000 175.955 0.045 1 1 438 . 11 1 1 A 37 37 VAL CA C 60 63.900 63.733 0.167 1 1 439 . 11 1 1 A 37 37 VAL CB C 60 31.400 32.036 -0.636 1 1 442 . 11 1 1 A 37 37 VAL N N 60 125.700 127.158 -1.458 1 1 443 . 11 1 1 A 38 38 LYS H H 61 9.400 8.828 0.572 1 1 444 . 11 1 1 A 38 38 LYS HA H 61 4.450 4.452 -0.002 1 1 453 . 11 1 1 A 38 38 LYS C C 61 176.000 176.329 -0.329 1 1 454 . 11 1 1 A 38 38 LYS CA C 61 56.900 56.644 0.256 1 1 455 . 11 1 1 A 38 38 LYS CB C 61 34.200 33.407 0.793 1 1 459 . 11 1 1 A 38 38 LYS N N 61 131.900 127.106 4.794 1 1 460 . 11 1 1 A 39 39 ARG H H 62 7.990 7.711 0.279 1 1 461 . 11 1 1 A 39 39 ARG HA H 62 4.700 4.678 0.022 1 1 469 . 11 1 1 A 39 39 ARG C C 62 173.600 174.825 -1.225 1 1 470 . 11 1 1 A 39 39 ARG CA C 62 55.100 55.775 -0.675 1 1 471 . 11 1 1 A 39 39 ARG CB C 62 34.100 33.506 0.594 1 1 474 . 11 1 1 A 39 39 ARG N N 62 117.300 118.163 -0.863 1 1 476 . 11 1 1 A 40 40 GLY H H 63 8.480 8.397 0.083 1 1 477 . 11 1 1 A 40 40 GLY HA2 H 63 4.290 4.281 0.009 1 1 478 . 11 1 1 A 40 40 GLY HA3 H 63 3.580 4.390 -0.810 1 1 479 . 11 1 1 A 40 40 GLY CA C 63 43.800 44.773 -0.973 1 1 480 . 11 1 1 A 40 40 GLY N N 63 110.800 111.914 -1.114 1 1 481 . 11 1 1 A 41 41 PRO HA H 64 4.300 4.412 -0.112 1 1 488 . 11 1 1 A 41 41 PRO C C 64 175.900 177.562 -1.662 1 1 489 . 11 1 1 A 41 41 PRO CA C 64 64.400 65.061 -0.661 1 1 490 . 11 1 1 A 41 41 PRO CB C 64 31.500 31.932 -0.432 1 1 493 . 11 1 1 A 42 42 ASN H H 65 8.310 8.687 -0.377 1 1 494 . 11 1 1 A 42 42 ASN HA H 65 4.770 4.867 -0.097 1 1 499 . 11 1 1 A 42 42 ASN C C 65 177.500 175.166 2.334 1 1 500 . 11 1 1 A 42 42 ASN CA C 65 52.100 52.134 -0.034 1 1 501 . 11 1 1 A 42 42 ASN CB C 65 36.700 37.692 -0.992 1 1 503 . 11 1 1 A 42 42 ASN N N 65 114.500 113.795 0.705 1 1 505 . 11 1 1 A 43 43 ALA H H 66 7.470 7.400 0.070 1 1 506 . 11 1 1 A 43 43 ALA HA H 66 3.690 4.123 -0.433 1 1 510 . 11 1 1 A 43 43 ALA C C 66 177.800 178.424 -0.624 1 1 511 . 11 1 1 A 43 43 ALA CA C 66 54.200 53.604 0.596 1 1 512 . 11 1 1 A 43 43 ALA CB C 66 17.700 18.809 -1.109 1 1 513 . 11 1 1 A 43 43 ALA N N 66 122.100 123.171 -1.071 1 1 514 . 11 1 1 A 44 44 GLY H H 67 9.120 8.491 0.629 1 1 515 . 11 1 1 A 44 44 GLY HA2 H 67 4.440 3.954 0.486 1 1 516 . 11 1 1 A 44 44 GLY HA3 H 67 3.490 3.958 -0.468 1 1 517 . 11 1 1 A 44 44 GLY C C 67 174.900 174.726 0.174 1 1 518 . 11 1 1 A 44 44 GLY CA C 67 44.600 45.053 -0.453 1 1 519 . 11 1 1 A 44 44 GLY N N 67 111.800 110.794 1.006 1 1 520 . 11 1 1 A 45 45 SER H H 68 8.090 7.605 0.485 1 1 521 . 11 1 1 A 45 45 SER HA H 68 4.280 4.370 -0.090 1 1 524 . 11 1 1 A 45 45 SER C C 68 171.500 173.541 -2.041 1 1 525 . 11 1 1 A 45 45 SER CA C 68 60.500 59.176 1.324 1 1 526 . 11 1 1 A 45 45 SER CB C 68 63.800 64.088 -0.288 1 1 527 . 11 1 1 A 45 45 SER N N 68 117.400 118.486 -1.086 1 1 528 . 11 1 1 A 46 46 ARG H H 69 8.120 8.733 -0.613 1 1 529 . 11 1 1 A 46 46 ARG HA H 69 5.140 5.201 -0.061 1 1 537 . 11 1 1 A 46 46 ARG C C 69 174.600 173.986 0.614 1 1 538 . 11 1 1 A 46 46 ARG CA C 69 54.200 54.112 0.088 1 1 539 . 11 1 1 A 46 46 ARG CB C 69 33.900 33.729 0.171 1 1 542 . 11 1 1 A 46 46 ARG N N 69 119.800 119.786 0.014 1 1 544 . 11 1 1 A 47 47 PHE H H 70 9.180 8.910 0.270 1 1 545 . 11 1 1 A 47 47 PHE HA H 70 4.720 5.055 -0.335 1 1 553 . 11 1 1 A 47 47 PHE C C 70 173.900 174.285 -0.385 1 1 554 . 11 1 1 A 47 47 PHE CA C 70 56.400 56.140 0.260 1 1 555 . 11 1 1 A 47 47 PHE CB C 70 41.500 42.334 -0.834 1 1 561 . 11 1 1 A 47 47 PHE N N 70 120.800 119.732 1.068 1 1 562 . 11 1 1 A 48 48 LEU H H 71 8.720 9.011 -0.291 1 1 563 . 11 1 1 A 48 48 LEU HA H 71 4.450 4.914 -0.464 1 1 573 . 11 1 1 A 48 48 LEU C C 71 176.300 174.896 1.404 1 1 574 . 11 1 1 A 48 48 LEU CA C 71 54.900 53.886 1.014 1 1 575 . 11 1 1 A 48 48 LEU CB C 71 43.200 44.179 -0.979 1 1 579 . 11 1 1 A 48 48 LEU N N 71 125.300 125.267 0.033 1 1 580 . 11 1 1 A 49 49 LEU H H 72 8.730 8.885 -0.155 1 1 581 . 11 1 1 A 49 49 LEU HA H 72 4.770 4.493 0.277 1 1 591 . 11 1 1 A 49 49 LEU C C 72 174.800 176.125 -1.325 1 1 592 . 11 1 1 A 49 49 LEU CA C 72 53.200 54.139 -0.939 1 1 593 . 11 1 1 A 49 49 LEU CB C 72 40.900 40.074 0.826 1 1 597 . 11 1 1 A 49 49 LEU N N 72 126.900 128.773 -1.873 1 1 598 . 11 1 1 A 50 50 ASP H H 73 8.350 8.600 -0.250 1 1 599 . 11 1 1 A 50 50 ASP HA H 73 4.790 4.941 -0.151 1 1 602 . 11 1 1 A 50 50 ASP C C 73 175.600 175.497 0.103 1 1 603 . 11 1 1 A 50 50 ASP CA C 73 53.000 53.300 -0.300 1 1 604 . 11 1 1 A 50 50 ASP CB C 73 41.400 41.247 0.153 1 1 605 . 11 1 1 A 50 50 ASP N N 73 120.400 125.635 -5.235 1 1 606 . 11 1 1 A 51 51 GLN H H 74 7.670 7.703 -0.033 1 1 607 . 11 1 1 A 51 51 GLN HA H 74 4.660 4.753 -0.093 1 1 614 . 11 1 1 A 51 51 GLN C C 74 175.400 176.435 -1.035 1 1 615 . 11 1 1 A 51 51 GLN CA C 74 53.700 54.056 -0.356 1 1 616 . 11 1 1 A 51 51 GLN CB C 74 31.300 31.711 -0.411 1 1 619 . 11 1 1 A 51 51 GLN N N 74 116.200 120.258 -4.058 1 1 621 . 11 1 1 A 52 52 ALA H H 75 8.720 8.835 -0.115 1 1 622 . 11 1 1 A 52 52 ALA HA H 75 4.170 4.199 -0.029 1 1 626 . 11 1 1 A 52 52 ALA C C 75 178.300 177.853 0.447 1 1 627 . 11 1 1 A 52 52 ALA CA C 75 55.700 54.596 1.104 1 1 628 . 11 1 1 A 52 52 ALA CB C 75 18.500 19.330 -0.830 1 1 629 . 11 1 1 A 52 52 ALA N N 75 123.200 125.819 -2.619 1 1 630 . 11 1 1 A 53 53 ILE H H 76 8.030 8.004 0.026 1 1 631 . 11 1 1 A 53 53 ILE HA H 76 4.650 4.970 -0.320 1 1 641 . 11 1 1 A 53 53 ILE C C 76 175.100 174.422 0.678 1 1 642 . 11 1 1 A 53 53 ILE CA C 76 61.100 60.313 0.787 1 1 643 . 11 1 1 A 53 53 ILE CB C 76 40.500 41.122 -0.622 1 1 647 . 11 1 1 A 53 53 ILE N N 76 115.400 117.274 -1.874 1 1 648 . 11 1 1 A 54 54 THR H H 77 8.840 8.999 -0.159 1 1 649 . 11 1 1 A 54 54 THR HA H 77 4.940 5.142 -0.202 1 1 654 . 11 1 1 A 54 54 THR C C 77 174.600 173.689 0.911 1 1 655 . 11 1 1 A 54 54 THR CA C 77 61.400 61.736 -0.336 1 1 656 . 11 1 1 A 54 54 THR CB C 77 70.300 70.887 -0.587 1 1 658 . 11 1 1 A 54 54 THR N N 77 125.300 124.909 0.391 1 1 659 . 11 1 1 A 55 55 SER H H 78 10.690 8.933 1.757 1 1 660 . 11 1 1 A 55 55 SER HA H 78 4.720 5.163 -0.443 1 1 663 . 11 1 1 A 55 55 SER C C 78 172.600 173.369 -0.769 1 1 664 . 11 1 1 A 55 55 SER CA C 78 57.800 57.796 0.004 1 1 665 . 11 1 1 A 55 55 SER CB C 78 65.200 64.902 0.298 1 1 666 . 11 1 1 A 55 55 SER N N 78 126.300 123.978 2.322 1 1 667 . 11 1 1 A 56 56 ALA H H 79 8.840 8.211 0.629 1 1 668 . 11 1 1 A 56 56 ALA HA H 79 5.720 4.943 0.777 1 1 672 . 11 1 1 A 56 56 ALA C C 79 175.800 178.224 -2.424 1 1 673 . 11 1 1 A 56 56 ALA CA C 79 49.800 50.814 -1.014 1 1 674 . 11 1 1 A 56 56 ALA CB C 79 21.900 21.969 -0.069 1 1 675 . 11 1 1 A 56 56 ALA N N 79 123.200 125.520 -2.320 1 1 676 . 11 1 1 A 57 57 GLY H H 80 8.410 8.831 -0.421 1 1 677 . 11 1 1 A 57 57 GLY HA2 H 80 4.400 3.968 0.432 1 1 678 . 11 1 1 A 57 57 GLY HA3 H 80 3.970 4.005 -0.035 1 1 679 . 11 1 1 A 57 57 GLY C C 80 174.800 174.737 0.063 1 1 680 . 11 1 1 A 57 57 GLY CA C 80 46.300 45.186 1.114 1 1 681 . 11 1 1 A 57 57 GLY N N 80 108.700 110.862 -2.162 1 1 682 . 11 1 1 A 58 58 ARG H H 81 8.330 7.764 0.566 1 1 683 . 11 1 1 A 58 58 ARG HA H 81 4.440 4.423 0.017 1 1 690 . 11 1 1 A 58 58 ARG C C 81 176.400 176.088 0.312 1 1 691 . 11 1 1 A 58 58 ARG CA C 81 54.700 55.346 -0.646 1 1 692 . 11 1 1 A 58 58 ARG CB C 81 32.300 31.405 0.895 1 1 695 . 11 1 1 A 58 58 ARG N N 81 120.400 120.627 -0.227 1 1 696 . 11 1 1 A 59 59 HIS H H 82 9.040 8.088 0.952 1 1 697 . 11 1 1 A 59 59 HIS HA H 82 4.280 4.755 -0.475 1 1 702 . 11 1 1 A 59 59 HIS CA C 82 56.800 58.722 -1.922 1 1 703 . 11 1 1 A 59 59 HIS CB C 82 30.900 30.076 0.824 1 1 705 . 11 1 1 A 59 59 HIS N N 82 124.300 121.755 2.545 1 1 708 . 11 1 1 A 60 60 PRO HA H 83 3.640 4.334 -0.694 1 1 715 . 11 1 1 A 60 60 PRO C C 83 177.000 176.678 0.322 1 1 716 . 11 1 1 A 60 60 PRO CA C 83 64.800 64.241 0.559 1 1 717 . 11 1 1 A 60 60 PRO CB C 83 31.700 32.399 -0.699 1 1 720 . 11 1 1 A 61 61 ASP H H 84 11.140 8.793 2.347 1 1 721 . 11 1 1 A 61 61 ASP HA H 84 4.700 4.125 0.575 1 1 724 . 11 1 1 A 61 61 ASP C C 84 177.400 174.687 2.713 1 1 725 . 11 1 1 A 61 61 ASP CA C 84 53.900 54.851 -0.951 1 1 726 . 11 1 1 A 61 61 ASP CB C 84 40.500 39.513 0.987 1 1 727 . 11 1 1 A 61 61 ASP N N 84 121.600 117.958 3.642 1 1 728 . 11 1 1 A 62 62 SER H H 85 8.190 7.254 0.936 1 1 729 . 11 1 1 A 62 62 SER HA H 85 4.030 4.798 -0.768 1 1 733 . 11 1 1 A 62 62 SER C C 85 173.400 173.722 -0.322 1 1 734 . 11 1 1 A 62 62 SER CA C 85 60.400 57.658 2.742 1 1 735 . 11 1 1 A 62 62 SER CB C 85 65.200 65.702 -0.502 1 1 736 . 11 1 1 A 62 62 SER N N 85 118.100 113.327 4.773 1 1 737 . 11 1 1 A 63 63 ASP H H 86 8.270 8.687 -0.417 1 1 738 . 11 1 1 A 63 63 ASP HA H 86 4.390 4.530 -0.140 1 1 741 . 11 1 1 A 63 63 ASP C C 86 177.200 177.292 -0.092 1 1 742 . 11 1 1 A 63 63 ASP CA C 86 58.300 57.609 0.691 1 1 743 . 11 1 1 A 63 63 ASP CB C 86 42.100 41.081 1.019 1 1 744 . 11 1 1 A 63 63 ASP N N 86 125.600 125.128 0.472 1 1 745 . 11 1 1 A 64 64 ILE H H 87 8.470 7.612 0.858 1 1 746 . 11 1 1 A 64 64 ILE HA H 87 3.560 3.492 0.068 1 1 756 . 11 1 1 A 64 64 ILE C C 87 172.900 175.518 -2.618 1 1 757 . 11 1 1 A 64 64 ILE CA C 87 60.500 61.723 -1.223 1 1 758 . 11 1 1 A 64 64 ILE CB C 87 37.400 37.922 -0.522 1 1 762 . 11 1 1 A 64 64 ILE N N 87 119.500 119.821 -0.321 1 1 763 . 11 1 1 A 65 65 PHE H H 88 8.100 8.601 -0.501 1 1 764 . 11 1 1 A 65 65 PHE HA H 88 5.010 5.130 -0.120 1 1 772 . 11 1 1 A 65 65 PHE C C 88 174.000 173.693 0.307 1 1 773 . 11 1 1 A 65 65 PHE CA C 88 55.600 56.147 -0.547 1 1 774 . 11 1 1 A 65 65 PHE CB C 88 38.800 40.360 -1.560 1 1 779 . 11 1 1 A 65 65 PHE N N 88 127.100 127.984 -0.884 1 1 780 . 11 1 1 A 66 66 LEU H H 89 7.710 8.679 -0.969 1 1 781 . 11 1 1 A 66 66 LEU HA H 89 3.620 4.377 -0.757 1 1 791 . 11 1 1 A 66 66 LEU C C 89 173.500 174.392 -0.892 1 1 792 . 11 1 1 A 66 66 LEU CA C 89 52.100 53.313 -1.213 1 1 793 . 11 1 1 A 66 66 LEU CB C 89 41.300 41.580 -0.280 1 1 797 . 11 1 1 A 66 66 LEU N N 89 131.900 128.977 2.923 1 1 798 . 11 1 1 A 67 67 ASP H H 90 7.980 8.158 -0.178 1 1 799 . 11 1 1 A 67 67 ASP HA H 90 4.260 4.873 -0.613 1 1 802 . 11 1 1 A 67 67 ASP C C 90 174.800 174.683 0.117 1 1 803 . 11 1 1 A 67 67 ASP CA C 90 53.100 52.822 0.278 1 1 804 . 11 1 1 A 67 67 ASP CB C 90 39.900 40.891 -0.991 1 1 805 . 11 1 1 A 67 67 ASP N N 90 120.000 124.890 -4.890 1 1 806 . 11 1 1 A 68 68 ASP H H 91 7.480 8.299 -0.819 1 1 807 . 11 1 1 A 68 68 ASP HA H 91 4.850 5.102 -0.252 1 1 810 . 11 1 1 A 68 68 ASP C C 91 175.600 175.767 -0.167 1 1 811 . 11 1 1 A 68 68 ASP CA C 91 54.900 53.491 1.409 1 1 812 . 11 1 1 A 68 68 ASP CB C 91 48.500 44.202 4.298 1 1 813 . 11 1 1 A 68 68 ASP N N 91 121.400 124.086 -2.686 1 1 814 . 11 1 1 A 69 69 VAL H H 92 8.370 8.748 -0.378 1 1 815 . 11 1 1 A 69 69 VAL HA H 92 4.060 3.896 0.164 1 1 823 . 11 1 1 A 69 69 VAL C C 92 175.900 178.072 -2.172 1 1 824 . 11 1 1 A 69 69 VAL CA C 92 64.800 65.323 -0.523 1 1 825 . 11 1 1 A 69 69 VAL CB C 92 31.700 31.751 -0.051 1 1 828 . 11 1 1 A 69 69 VAL N N 92 121.900 123.374 -1.474 1 1 829 . 11 1 1 A 70 70 THR H H 93 8.360 7.699 0.661 1 1 830 . 11 1 1 A 70 70 THR HA H 93 4.060 4.173 -0.113 1 1 836 . 11 1 1 A 70 70 THR C C 93 175.100 174.739 0.361 1 1 837 . 11 1 1 A 70 70 THR CA C 93 63.700 65.258 -1.558 1 1 838 . 11 1 1 A 70 70 THR CB C 93 70.300 68.878 1.422 1 1 840 . 11 1 1 A 70 70 THR N N 93 111.100 112.322 -1.222 1 1 841 . 11 1 1 A 71 71 VAL H H 94 8.240 7.706 0.534 1 1 842 . 11 1 1 A 71 71 VAL HA H 94 4.520 3.957 0.563 1 1 850 . 11 1 1 A 71 71 VAL C C 94 176.800 175.158 1.642 1 1 851 . 11 1 1 A 71 71 VAL CA C 94 61.200 61.136 0.064 1 1 852 . 11 1 1 A 71 71 VAL CB C 94 33.500 32.593 0.907 1 1 855 . 11 1 1 A 71 71 VAL N N 94 125.500 123.767 1.733 1 1 856 . 11 1 1 A 72 72 SER H H 95 11.410 8.874 2.536 1 1 857 . 11 1 1 A 72 72 SER HA H 95 4.670 4.611 0.059 1 1 860 . 11 1 1 A 72 72 SER C C 95 174.500 175.965 -1.465 1 1 861 . 11 1 1 A 72 72 SER CA C 95 60.600 57.837 2.763 1 1 862 . 11 1 1 A 72 72 SER CB C 95 64.200 64.683 -0.483 1 1 863 . 11 1 1 A 72 72 SER N N 95 126.800 122.749 4.051 1 1 864 . 11 1 1 A 73 73 ARG H H 96 9.260 8.711 0.549 1 1 865 . 11 1 1 A 73 73 ARG HA H 96 3.770 3.967 -0.197 1 1 873 . 11 1 1 A 73 73 ARG C C 96 176.600 177.511 -0.911 1 1 874 . 11 1 1 A 73 73 ARG CA C 96 61.300 59.758 1.542 1 1 875 . 11 1 1 A 73 73 ARG CB C 96 29.800 30.023 -0.223 1 1 878 . 11 1 1 A 73 73 ARG N N 96 124.600 123.251 1.349 1 1 880 . 11 1 1 A 74 74 ARG H H 97 7.800 7.881 -0.081 1 1 881 . 11 1 1 A 74 74 ARG HA H 97 4.440 4.583 -0.143 1 1 889 . 11 1 1 A 74 74 ARG C C 97 173.100 177.136 -4.036 1 1 890 . 11 1 1 A 74 74 ARG CA C 97 54.800 57.015 -2.215 1 1 891 . 11 1 1 A 74 74 ARG CB C 97 29.300 31.822 -2.522 1 1 894 . 11 1 1 A 74 74 ARG N N 97 114.800 117.807 -3.007 1 1 896 . 11 1 1 A 75 75 HIS H H 98 7.840 8.196 -0.356 1 1 897 . 11 1 1 A 75 75 HIS HA H 98 4.430 4.379 0.051 1 1 903 . 11 1 1 A 75 75 HIS C C 98 173.800 174.315 -0.515 1 1 904 . 11 1 1 A 75 75 HIS CA C 98 57.800 58.520 -0.720 1 1 905 . 11 1 1 A 75 75 HIS CB C 98 35.000 29.377 5.623 1 1 908 . 11 1 1 A 75 75 HIS N N 98 124.400 117.829 6.571 1 1 910 . 11 1 1 A 76 76 ALA H H 99 8.490 8.397 0.093 1 1 911 . 11 1 1 A 76 76 ALA HA H 99 5.580 4.421 1.159 1 1 915 . 11 1 1 A 76 76 ALA C C 99 176.500 175.244 1.256 1 1 916 . 11 1 1 A 76 76 ALA CA C 99 50.300 50.230 0.070 1 1 917 . 11 1 1 A 76 76 ALA CB C 99 23.200 22.818 0.382 1 1 918 . 11 1 1 A 76 76 ALA N N 99 116.600 119.869 -3.269 1 1 919 . 11 1 1 A 77 77 GLU H H 100 9.030 8.608 0.422 1 1 920 . 11 1 1 A 77 77 GLU HA H 100 5.030 4.932 0.098 1 1 925 . 11 1 1 A 77 77 GLU C C 100 174.100 174.364 -0.264 1 1 926 . 11 1 1 A 77 77 GLU CA C 100 54.500 54.934 -0.434 1 1 927 . 11 1 1 A 77 77 GLU CB C 100 34.900 33.675 1.225 1 1 929 . 11 1 1 A 77 77 GLU N N 100 118.100 120.816 -2.716 1 1 930 . 11 1 1 A 78 78 PHE H H 101 9.400 8.574 0.826 1 1 931 . 11 1 1 A 78 78 PHE HA H 101 5.400 5.587 -0.187 1 1 939 . 11 1 1 A 78 78 PHE C C 101 176.500 175.341 1.159 1 1 940 . 11 1 1 A 78 78 PHE CA C 101 56.700 56.713 -0.013 1 1 941 . 11 1 1 A 78 78 PHE CB C 101 41.000 42.503 -1.503 1 1 946 . 11 1 1 A 78 78 PHE N N 101 119.600 123.102 -3.502 1 1 947 . 11 1 1 A 79 79 ARG H H 102 9.720 8.635 1.085 1 1 948 . 11 1 1 A 79 79 ARG HA H 102 5.490 5.298 0.192 1 1 956 . 11 1 1 A 79 79 ARG C C 102 174.300 174.243 0.057 1 1 957 . 11 1 1 A 79 79 ARG CA C 102 54.800 54.356 0.444 1 1 958 . 11 1 1 A 79 79 ARG CB C 102 33.100 34.469 -1.369 1 1 961 . 11 1 1 A 79 79 ARG N N 102 126.100 120.862 5.238 1 1 963 . 11 1 1 A 80 80 LEU H H 103 9.020 8.516 0.504 1 1 964 . 11 1 1 A 80 80 LEU HA H 103 4.400 4.822 -0.422 1 1 974 . 11 1 1 A 80 80 LEU C C 103 176.100 176.624 -0.524 1 1 975 . 11 1 1 A 80 80 LEU CA C 103 54.100 53.722 0.378 1 1 976 . 11 1 1 A 80 80 LEU CB C 103 42.600 43.772 -1.172 1 1 980 . 11 1 1 A 80 80 LEU N N 103 128.000 124.809 3.191 1 1 981 . 11 1 1 A 81 81 GLU H H 104 8.860 8.119 0.741 1 1 982 . 11 1 1 A 81 81 GLU HA H 104 4.430 4.596 -0.166 1 1 987 . 11 1 1 A 81 81 GLU C C 104 175.800 177.884 -2.084 1 1 988 . 11 1 1 A 81 81 GLU CA C 104 55.500 54.927 0.573 1 1 989 . 11 1 1 A 81 81 GLU CB C 104 32.600 30.095 2.505 1 1 991 . 11 1 1 A 81 81 GLU N N 104 128.600 124.586 4.014 1 1 992 . 11 1 1 A 82 82 ASN H H 105 9.410 8.314 1.096 1 1 993 . 11 1 1 A 82 82 ASN HA H 105 4.200 4.514 -0.314 1 1 998 . 11 1 1 A 82 82 ASN C C 105 174.300 176.013 -1.713 1 1 999 . 11 1 1 A 82 82 ASN CA C 105 54.700 56.058 -1.358 1 1 1000 . 11 1 1 A 82 82 ASN CB C 105 37.200 38.885 -1.685 1 1 1002 . 11 1 1 A 82 82 ASN N N 105 124.600 118.313 6.287 1 1 1004 . 11 1 1 A 83 83 ASN H H 106 8.640 7.957 0.683 1 1 1005 . 11 1 1 A 83 83 ASN HA H 106 4.010 4.809 -0.799 1 1 1010 . 11 1 1 A 83 83 ASN C C 106 173.100 173.943 -0.843 1 1 1011 . 11 1 1 A 83 83 ASN CA C 106 54.900 52.579 2.321 1 1 1012 . 11 1 1 A 83 83 ASN CB C 106 38.100 39.663 -1.563 1 1 1014 . 11 1 1 A 83 83 ASN N N 106 108.900 113.829 -4.929 1 1 1016 . 11 1 1 A 84 84 GLU H H 107 7.660 7.733 -0.073 1 1 1017 . 11 1 1 A 84 84 GLU HA H 107 4.660 4.895 -0.235 1 1 1022 . 11 1 1 A 84 84 GLU C C 107 174.300 175.495 -1.195 1 1 1023 . 11 1 1 A 84 84 GLU CA C 107 54.700 54.591 0.109 1 1 1024 . 11 1 1 A 84 84 GLU CB C 107 32.900 33.041 -0.141 1 1 1026 . 11 1 1 A 84 84 GLU N N 107 118.300 117.552 0.748 1 1 1027 . 11 1 1 A 85 85 PHE H H 108 9.690 8.999 0.691 1 1 1028 . 11 1 1 A 85 85 PHE HA H 108 5.000 4.732 0.268 1 1 1035 . 11 1 1 A 85 85 PHE C C 108 174.500 176.206 -1.706 1 1 1036 . 11 1 1 A 85 85 PHE CA C 108 58.600 58.932 -0.332 1 1 1037 . 11 1 1 A 85 85 PHE CB C 108 41.800 39.935 1.865 1 1 1042 . 11 1 1 A 85 85 PHE N N 108 121.100 121.887 -0.787 1 1 1043 . 11 1 1 A 86 86 ASN H H 109 9.180 8.983 0.197 1 1 1044 . 11 1 1 A 86 86 ASN HA H 109 5.580 5.481 0.099 1 1 1049 . 11 1 1 A 86 86 ASN C C 109 175.000 173.685 1.315 1 1 1050 . 11 1 1 A 86 86 ASN CA C 109 51.200 52.077 -0.877 1 1 1051 . 11 1 1 A 86 86 ASN CB C 109 42.100 42.230 -0.130 1 1 1053 . 11 1 1 A 86 86 ASN N N 109 119.400 119.621 -0.221 1 1 1055 . 11 1 1 A 87 87 VAL H H 110 9.060 8.773 0.287 1 1 1056 . 11 1 1 A 87 87 VAL HA H 110 4.940 4.817 0.123 1 1 1064 . 11 1 1 A 87 87 VAL C C 110 171.700 173.490 -1.790 1 1 1065 . 11 1 1 A 87 87 VAL CA C 110 58.400 59.674 -1.274 1 1 1066 . 11 1 1 A 87 87 VAL CB C 110 33.800 34.645 -0.845 1 1 1069 . 11 1 1 A 87 87 VAL N N 110 121.300 120.196 1.104 1 1 1070 . 11 1 1 A 88 88 VAL H H 111 8.640 8.457 0.183 1 1 1071 . 11 1 1 A 88 88 VAL HA H 111 4.590 4.681 -0.091 1 1 1079 . 11 1 1 A 88 88 VAL C C 111 175.700 172.696 3.004 1 1 1080 . 11 1 1 A 88 88 VAL CA C 111 60.100 59.518 0.582 1 1 1081 . 11 1 1 A 88 88 VAL CB C 111 36.200 35.712 0.488 1 1 1084 . 11 1 1 A 88 88 VAL N N 111 125.500 126.150 -0.650 1 1 1085 . 11 1 1 A 89 89 ASP H H 112 8.480 8.246 0.234 1 1 1086 . 11 1 1 A 89 89 ASP HA H 112 4.870 4.738 0.132 1 1 1089 . 11 1 1 A 89 89 ASP C C 112 177.200 175.531 1.669 1 1 1090 . 11 1 1 A 89 89 ASP CA C 112 54.700 52.666 2.034 1 1 1091 . 11 1 1 A 89 89 ASP CB C 112 43.600 41.736 1.864 1 1 1092 . 11 1 1 A 89 89 ASP N N 112 126.600 128.767 -2.167 1 1 1093 . 11 1 1 A 90 90 VAL H H 113 7.980 8.033 -0.053 1 1 1094 . 11 1 1 A 90 90 VAL HA H 113 4.540 4.021 0.519 1 1 1102 . 11 1 1 A 90 90 VAL C C 113 174.400 176.282 -1.882 1 1 1103 . 11 1 1 A 90 90 VAL CA C 113 60.300 62.257 -1.957 1 1 1104 . 11 1 1 A 90 90 VAL CB C 113 29.500 32.165 -2.665 1 1 1107 . 11 1 1 A 90 90 VAL N N 113 119.700 123.450 -3.750 1 1 1108 . 11 1 1 A 91 91 GLY H H 114 8.600 8.718 -0.118 1 1 1109 . 11 1 1 A 91 91 GLY HA2 H 114 4.260 3.901 0.359 1 1 1110 . 11 1 1 A 91 91 GLY HA3 H 114 3.720 3.909 -0.189 1 1 1111 . 11 1 1 A 91 91 GLY C C 114 175.300 174.523 0.777 1 1 1112 . 11 1 1 A 91 91 GLY CA C 114 45.700 45.613 0.087 1 1 1113 . 11 1 1 A 91 91 GLY N N 114 111.300 113.941 -2.641 1 1 1114 . 11 1 1 A 92 92 SER H H 115 9.190 8.552 0.638 1 1 1115 . 11 1 1 A 92 92 SER HA H 115 3.890 4.335 -0.445 1 1 1118 . 11 1 1 A 92 92 SER C C 115 174.500 173.785 0.715 1 1 1119 . 11 1 1 A 92 92 SER CA C 115 58.600 59.520 -0.920 1 1 1120 . 11 1 1 A 92 92 SER CB C 115 61.300 62.956 -1.656 1 1 1121 . 11 1 1 A 92 92 SER N N 115 121.000 115.256 5.744 1 1 1122 . 11 1 1 A 93 93 LEU H H 116 7.720 8.768 -1.048 1 1 1123 . 11 1 1 A 93 93 LEU HA H 116 4.250 4.278 -0.028 1 1 1133 . 11 1 1 A 93 93 LEU C C 116 179.100 175.404 3.696 1 1 1134 . 11 1 1 A 93 93 LEU CA C 116 57.200 55.119 2.081 1 1 1135 . 11 1 1 A 93 93 LEU CB C 116 42.100 41.287 0.813 1 1 1139 . 11 1 1 A 93 93 LEU N N 116 120.500 123.098 -2.598 1 1 1140 . 11 1 1 A 94 94 ASN H H 117 8.450 8.708 -0.258 1 1 1141 . 11 1 1 A 94 94 ASN HA H 117 4.870 4.691 0.179 1 1 1146 . 11 1 1 A 94 94 ASN C C 117 175.800 175.468 0.332 1 1 1147 . 11 1 1 A 94 94 ASN CA C 117 54.000 54.360 -0.360 1 1 1148 . 11 1 1 A 94 94 ASN CB C 117 40.100 38.629 1.471 1 1 1150 . 11 1 1 A 94 94 ASN N N 117 112.500 122.666 -10.166 1 1 1152 . 11 1 1 A 95 95 GLY H H 118 7.940 8.409 -0.469 1 1 1153 . 11 1 1 A 95 95 GLY HA2 H 118 4.190 4.203 -0.013 1 1 1154 . 11 1 1 A 95 95 GLY HA3 H 118 3.610 4.285 -0.675 1 1 1155 . 11 1 1 A 95 95 GLY C C 118 174.000 172.579 1.421 1 1 1156 . 11 1 1 A 95 95 GLY CA C 118 44.300 46.327 -2.027 1 1 1157 . 11 1 1 A 95 95 GLY N N 118 109.800 109.805 -0.005 1 1 1158 . 11 1 1 A 96 96 THR H H 119 8.940 8.200 0.740 1 1 1159 . 11 1 1 A 96 96 THR HA H 119 3.820 4.332 -0.512 1 1 1165 . 11 1 1 A 96 96 THR C C 119 172.300 173.834 -1.534 1 1 1166 . 11 1 1 A 96 96 THR CA C 119 64.100 62.892 1.208 1 1 1167 . 11 1 1 A 96 96 THR CB C 119 70.200 69.187 1.013 1 1 1169 . 11 1 1 A 96 96 THR N N 119 122.000 117.046 4.954 1 1 1170 . 11 1 1 A 97 97 TYR H H 120 8.220 8.267 -0.047 1 1 1171 . 11 1 1 A 97 97 TYR HA H 120 5.340 5.548 -0.208 1 1 1178 . 11 1 1 A 97 97 TYR C C 120 175.900 172.422 3.478 1 1 1179 . 11 1 1 A 97 97 TYR CA C 120 55.600 55.677 -0.077 1 1 1180 . 11 1 1 A 97 97 TYR CB C 120 41.400 42.218 -0.818 1 1 1185 . 11 1 1 A 97 97 TYR N N 120 122.800 123.018 -0.218 1 1 1186 . 11 1 1 A 98 98 VAL H H 121 9.040 8.860 0.180 1 1 1187 . 11 1 1 A 98 98 VAL HA H 121 5.010 4.785 0.225 1 1 1195 . 11 1 1 A 98 98 VAL C C 121 176.900 175.708 1.192 1 1 1196 . 11 1 1 A 98 98 VAL CA C 121 61.100 59.727 1.373 1 1 1197 . 11 1 1 A 98 98 VAL CB C 121 33.000 34.281 -1.281 1 1 1200 . 11 1 1 A 98 98 VAL N N 121 121.400 120.924 0.476 1 1 1201 . 11 1 1 A 99 99 ASN H H 122 10.100 9.113 0.987 1 1 1202 . 11 1 1 A 99 99 ASN HA H 122 4.440 4.728 -0.288 1 1 1207 . 11 1 1 A 99 99 ASN C C 122 174.500 176.054 -1.554 1 1 1208 . 11 1 1 A 99 99 ASN CA C 122 55.000 54.130 0.870 1 1 1209 . 11 1 1 A 99 99 ASN CB C 122 37.000 38.246 -1.246 1 1 1211 . 11 1 1 A 99 99 ASN N N 122 129.400 128.761 0.639 1 1 1213 . 11 1 1 A 100 100 ARG H H 123 9.290 8.725 0.565 1 1 1214 . 11 1 1 A 100 100 ARG HA H 123 3.680 4.229 -0.549 1 1 1222 . 11 1 1 A 100 100 ARG C C 123 175.200 175.866 -0.666 1 1 1223 . 11 1 1 A 100 100 ARG CA C 123 58.100 58.030 0.070 1 1 1224 . 11 1 1 A 100 100 ARG CB C 123 27.600 30.008 -2.408 1 1 1227 . 11 1 1 A 100 100 ARG N N 123 106.100 122.383 -16.283 1 1 1229 . 11 1 1 A 101 101 GLU H H 124 7.970 7.758 0.212 1 1 1230 . 11 1 1 A 101 101 GLU HA H 124 5.110 4.665 0.445 1 1 1235 . 11 1 1 A 101 101 GLU CA C 124 53.000 53.032 -0.032 1 1 1236 . 11 1 1 A 101 101 GLU CB C 124 30.900 30.698 0.202 1 1 1238 . 11 1 1 A 101 101 GLU N N 124 121.300 121.229 0.071 1 1 1239 . 11 1 1 A 102 102 PRO HA H 125 4.050 5.031 -0.981 1 1 1246 . 11 1 1 A 102 102 PRO C C 125 177.500 176.695 0.805 1 1 1247 . 11 1 1 A 102 102 PRO CA C 125 62.300 62.601 -0.301 1 1 1248 . 11 1 1 A 102 102 PRO CB C 125 31.300 31.787 -0.487 1 1 1251 . 11 1 1 A 103 103 VAL H H 126 8.330 8.267 0.063 1 1 1252 . 11 1 1 A 103 103 VAL HA H 126 4.700 4.854 -0.154 1 1 1260 . 11 1 1 A 103 103 VAL C C 126 174.500 175.874 -1.374 1 1 1261 . 11 1 1 A 103 103 VAL CA C 126 58.900 59.447 -0.547 1 1 1262 . 11 1 1 A 103 103 VAL CB C 126 35.300 35.358 -0.058 1 1 1265 . 11 1 1 A 103 103 VAL N N 126 115.000 117.153 -2.153 1 1 1266 . 11 1 1 A 104 104 ASP H H 127 8.520 8.681 -0.161 1 1 1267 . 11 1 1 A 104 104 ASP HA H 127 4.780 4.414 0.366 1 1 1270 . 11 1 1 A 104 104 ASP C C 127 176.200 176.555 -0.355 1 1 1271 . 11 1 1 A 104 104 ASP CA C 127 55.800 57.159 -1.359 1 1 1272 . 11 1 1 A 104 104 ASP CB C 127 41.100 42.021 -0.921 1 1 1273 . 11 1 1 A 104 104 ASP N N 127 120.800 123.241 -2.441 1 1 1274 . 11 1 1 A 105 105 SER H H 128 7.650 7.725 -0.075 1 1 1275 . 11 1 1 A 105 105 SER HA H 128 5.440 5.046 0.394 1 1 1278 . 11 1 1 A 105 105 SER C C 128 173.400 172.229 1.171 1 1 1279 . 11 1 1 A 105 105 SER CA C 128 56.600 57.815 -1.215 1 1 1280 . 11 1 1 A 105 105 SER CB C 128 65.000 67.037 -2.037 1 1 1281 . 11 1 1 A 105 105 SER N N 128 111.500 111.693 -0.193 1 1 1282 . 11 1 1 A 106 106 ALA H H 129 8.790 8.099 0.691 1 1 1283 . 11 1 1 A 106 106 ALA HA H 129 4.610 4.818 -0.208 1 1 1287 . 11 1 1 A 106 106 ALA C C 129 175.300 175.961 -0.661 1 1 1288 . 11 1 1 A 106 106 ALA CA C 129 52.100 51.490 0.610 1 1 1289 . 11 1 1 A 106 106 ALA CB C 129 22.600 22.835 -0.235 1 1 1290 . 11 1 1 A 106 106 ALA N N 129 125.100 122.667 2.433 1 1 1291 . 11 1 1 A 107 107 VAL H H 130 8.340 8.723 -0.383 1 1 1292 . 11 1 1 A 107 107 VAL HA H 130 4.160 4.450 -0.290 1 1 1300 . 11 1 1 A 107 107 VAL C C 130 176.300 176.044 0.256 1 1 1301 . 11 1 1 A 107 107 VAL CA C 130 62.600 62.359 0.241 1 1 1302 . 11 1 1 A 107 107 VAL CB C 130 32.000 32.087 -0.087 1 1 1305 . 11 1 1 A 107 107 VAL N N 130 122.800 119.515 3.285 1 1 1306 . 11 1 1 A 108 108 LEU H H 131 8.490 8.803 -0.313 1 1 1307 . 11 1 1 A 108 108 LEU HA H 131 4.370 4.253 0.117 1 1 1317 . 11 1 1 A 108 108 LEU C C 131 175.200 175.739 -0.539 1 1 1318 . 11 1 1 A 108 108 LEU CA C 131 54.200 54.631 -0.431 1 1 1319 . 11 1 1 A 108 108 LEU CB C 131 43.000 41.896 1.104 1 1 1323 . 11 1 1 A 108 108 LEU N N 131 128.900 128.302 0.598 1 1 1324 . 11 1 1 A 109 109 ALA H H 132 9.130 8.266 0.864 1 1 1325 . 11 1 1 A 109 109 ALA HA H 132 4.750 5.069 -0.319 1 1 1329 . 11 1 1 A 109 109 ALA C C 132 176.500 175.809 0.691 1 1 1330 . 11 1 1 A 109 109 ALA CA C 132 49.700 50.368 -0.668 1 1 1331 . 11 1 1 A 109 109 ALA CB C 132 22.400 23.339 -0.939 1 1 1332 . 11 1 1 A 109 109 ALA N N 132 126.000 121.884 4.116 1 1 1333 . 11 1 1 A 110 110 ASN H H 133 8.860 8.869 -0.009 1 1 1334 . 11 1 1 A 110 110 ASN HA H 133 4.430 4.588 -0.158 1 1 1339 . 11 1 1 A 110 110 ASN C C 133 176.400 176.658 -0.258 1 1 1340 . 11 1 1 A 110 110 ASN CA C 133 56.400 55.116 1.284 1 1 1341 . 11 1 1 A 110 110 ASN CB C 133 39.800 38.110 1.690 1 1 1343 . 11 1 1 A 110 110 ASN N N 133 117.600 120.553 -2.953 1 1 1345 . 11 1 1 A 111 111 GLY H H 134 10.100 8.490 1.610 1 1 1346 . 11 1 1 A 111 111 GLY HA2 H 134 4.430 3.919 0.511 1 1 1347 . 11 1 1 A 111 111 GLY HA3 H 134 3.410 3.919 -0.509 1 1 1348 . 11 1 1 A 111 111 GLY C C 134 174.800 173.397 1.403 1 1 1349 . 11 1 1 A 111 111 GLY CA C 134 45.100 45.768 -0.668 1 1 1350 . 11 1 1 A 111 111 GLY N N 134 117.200 114.150 3.050 1 1 1351 . 11 1 1 A 112 112 ASP H H 135 8.640 7.863 0.777 1 1 1352 . 11 1 1 A 112 112 ASP HA H 135 4.430 4.998 -0.568 1 1 1355 . 11 1 1 A 112 112 ASP C C 135 174.700 175.510 -0.810 1 1 1356 . 11 1 1 A 112 112 ASP CA C 135 56.200 52.816 3.384 1 1 1357 . 11 1 1 A 112 112 ASP CB C 135 42.100 42.275 -0.175 1 1 1358 . 11 1 1 A 112 112 ASP N N 135 122.900 121.546 1.354 1 1 1359 . 11 1 1 A 113 113 GLU H H 136 8.360 8.712 -0.352 1 1 1360 . 11 1 1 A 113 113 GLU HA H 136 5.220 4.881 0.339 1 1 1365 . 11 1 1 A 113 113 GLU C C 136 176.000 175.732 0.268 1 1 1366 . 11 1 1 A 113 113 GLU CA C 136 54.400 55.762 -1.362 1 1 1367 . 11 1 1 A 113 113 GLU CB C 136 32.900 31.370 1.530 1 1 1369 . 11 1 1 A 113 113 GLU N N 136 119.000 125.020 -6.020 1 1 1370 . 11 1 1 A 114 114 VAL H H 137 9.800 8.847 0.953 1 1 1371 . 11 1 1 A 114 114 VAL HA H 137 5.160 4.871 0.289 1 1 1379 . 11 1 1 A 114 114 VAL C C 137 174.400 174.507 -0.107 1 1 1380 . 11 1 1 A 114 114 VAL CA C 137 60.400 60.920 -0.520 1 1 1381 . 11 1 1 A 114 114 VAL CB C 137 34.300 34.852 -0.552 1 1 1384 . 11 1 1 A 114 114 VAL N N 137 129.000 124.370 4.630 1 1 1385 . 11 1 1 A 115 115 GLN H H 138 9.610 8.995 0.615 1 1 1386 . 11 1 1 A 115 115 GLN HA H 138 5.430 5.192 0.238 1 1 1393 . 11 1 1 A 115 115 GLN C C 138 174.800 174.017 0.783 1 1 1394 . 11 1 1 A 115 115 GLN CA C 138 54.500 53.995 0.505 1 1 1395 . 11 1 1 A 115 115 GLN CB C 138 30.700 32.225 -1.525 1 1 1398 . 11 1 1 A 115 115 GLN N N 138 129.300 127.493 1.807 1 1 1399 . 11 1 1 A 116 116 ILE H H 139 8.400 8.606 -0.206 1 1 1400 . 11 1 1 A 116 116 ILE HA H 139 4.020 4.567 -0.547 1 1 1410 . 11 1 1 A 116 116 ILE C C 139 174.500 176.473 -1.973 1 1 1411 . 11 1 1 A 116 116 ILE CA C 139 60.600 60.098 0.502 1 1 1412 . 11 1 1 A 116 116 ILE CB C 139 40.900 40.092 0.808 1 1 1416 . 11 1 1 A 116 116 ILE N N 139 128.300 127.652 0.648 1 1 1417 . 11 1 1 A 117 117 GLY H H 140 9.650 8.952 0.698 1 1 1418 . 11 1 1 A 117 117 GLY HA2 H 140 3.820 3.824 -0.004 1 1 1419 . 11 1 1 A 117 117 GLY HA3 H 140 3.630 3.878 -0.248 1 1 1420 . 11 1 1 A 117 117 GLY C C 140 175.400 174.810 0.590 1 1 1421 . 11 1 1 A 117 117 GLY CA C 140 46.500 47.360 -0.860 1 1 1422 . 11 1 1 A 117 117 GLY N N 140 116.800 116.186 0.614 1 1 1423 . 11 1 1 A 118 118 LYS H H 141 7.960 8.295 -0.335 1 1 1424 . 11 1 1 A 118 118 LYS HA H 141 4.070 4.468 -0.398 1 1 1433 . 11 1 1 A 118 118 LYS C C 141 175.600 176.144 -0.544 1 1 1434 . 11 1 1 A 118 118 LYS CA C 141 56.700 56.191 0.509 1 1 1435 . 11 1 1 A 118 118 LYS CB C 141 32.600 34.450 -1.850 1 1 1439 . 11 1 1 A 118 118 LYS N N 141 122.400 124.417 -2.017 1 1 1440 . 11 1 1 A 119 119 PHE H H 142 8.260 7.511 0.749 1 1 1441 . 11 1 1 A 119 119 PHE HA H 142 4.540 4.610 -0.070 1 1 1449 . 11 1 1 A 119 119 PHE C C 142 174.700 176.485 -1.785 1 1 1450 . 11 1 1 A 119 119 PHE CA C 142 58.200 58.689 -0.489 1 1 1451 . 11 1 1 A 119 119 PHE CB C 142 39.900 40.065 -0.165 1 1 1456 . 11 1 1 A 119 119 PHE N N 142 119.500 120.706 -1.206 1 1 1457 . 11 1 1 A 120 120 ARG H H 143 8.690 8.631 0.059 1 1 1458 . 11 1 1 A 120 120 ARG HA H 143 5.020 5.093 -0.073 1 1 1465 . 11 1 1 A 120 120 ARG C C 143 174.800 175.582 -0.782 1 1 1466 . 11 1 1 A 120 120 ARG CA C 143 55.100 55.033 0.067 1 1 1467 . 11 1 1 A 120 120 ARG CB C 143 32.800 32.783 0.017 1 1 1470 . 11 1 1 A 120 120 ARG N N 143 121.500 122.127 -0.627 1 1 1471 . 11 1 1 A 121 121 LEU H H 144 9.760 8.978 0.782 1 1 1472 . 11 1 1 A 121 121 LEU HA H 144 5.420 5.210 0.210 1 1 1482 . 11 1 1 A 121 121 LEU C C 144 175.000 175.302 -0.302 1 1 1483 . 11 1 1 A 121 121 LEU CA C 144 53.900 53.554 0.346 1 1 1484 . 11 1 1 A 121 121 LEU CB C 144 44.900 46.101 -1.201 1 1 1488 . 11 1 1 A 121 121 LEU N N 144 126.400 125.123 1.277 1 1 1489 . 11 1 1 A 122 122 VAL H H 145 9.370 8.942 0.428 1 1 1490 . 11 1 1 A 122 122 VAL HA H 145 5.010 5.088 -0.078 1 1 1498 . 11 1 1 A 122 122 VAL C C 145 173.700 173.375 0.325 1 1 1499 . 11 1 1 A 122 122 VAL CA C 145 60.800 59.395 1.405 1 1 1500 . 11 1 1 A 122 122 VAL CB C 145 34.300 34.752 -0.452 1 1 1503 . 11 1 1 A 122 122 VAL N N 145 121.900 122.034 -0.134 1 1 1504 . 11 1 1 A 123 123 PHE H H 146 8.830 9.374 -0.544 1 1 1505 . 11 1 1 A 123 123 PHE HA H 146 4.980 4.836 0.144 1 1 1513 . 11 1 1 A 123 123 PHE C C 146 172.700 173.924 -1.224 1 1 1514 . 11 1 1 A 123 123 PHE CA C 146 57.100 56.360 0.740 1 1 1515 . 11 1 1 A 123 123 PHE CB C 146 41.100 39.959 1.141 1 1 1521 . 11 1 1 A 123 123 PHE N N 146 128.700 130.300 -1.600 1 1 1522 . 11 1 1 A 124 124 LEU H H 147 8.650 8.397 0.253 1 1 1523 . 11 1 1 A 124 124 LEU HA H 147 5.020 4.996 0.024 1 1 1533 . 11 1 1 A 124 124 LEU C C 147 175.300 176.500 -1.200 1 1 1534 . 11 1 1 A 124 124 LEU CA C 147 52.600 53.423 -0.823 1 1 1535 . 11 1 1 A 124 124 LEU CB C 147 45.600 45.098 0.502 1 1 1539 . 11 1 1 A 124 124 LEU N N 147 128.000 128.465 -0.465 1 1 1540 . 11 1 1 A 125 125 THR H H 148 8.300 8.871 -0.571 1 1 1541 . 11 1 1 A 125 125 THR HA H 148 4.330 4.476 -0.146 1 1 1546 . 11 1 1 A 125 125 THR C C 148 173.900 175.923 -2.023 1 1 1547 . 11 1 1 A 125 125 THR CA C 148 60.200 60.314 -0.114 1 1 1548 . 11 1 1 A 125 125 THR CB C 148 70.300 71.327 -1.027 1 1 1550 . 11 1 1 A 125 125 THR N N 148 110.600 115.253 -4.653 1 1 1551 . 11 1 1 A 126 126 GLY H H 149 8.310 8.551 -0.241 1 1 1552 . 11 1 1 A 126 126 GLY HA2 H 149 3.840 3.796 0.044 1 1 1553 . 11 1 1 A 126 126 GLY HA3 H 149 3.840 3.820 0.020 1 1 1554 . 11 1 1 A 126 126 GLY CA C 149 45.200 47.463 -2.263 1 1 1555 . 11 1 1 A 126 126 GLY N N 149 109.800 109.708 0.092 1 1 1556 . 11 1 1 A 127 127 HIS H H 150 8.310 7.838 0.472 1 1 1557 . 11 1 1 A 127 127 HIS HA H 150 4.630 4.636 -0.006 1 1 1562 . 11 1 1 A 127 127 HIS C C 150 174.800 173.673 1.127 1 1 1563 . 11 1 1 A 127 127 HIS CA C 150 55.900 54.840 1.060 1 1 1564 . 11 1 1 A 127 127 HIS CB C 150 30.700 30.613 0.087 1 1 1567 . 11 1 1 A 127 127 HIS N N 150 119.300 115.600 3.700 1 1 1570 . 11 1 1 A 128 128 LYS H H 151 8.490 9.363 -0.873 1 1 1571 . 11 1 1 A 128 128 LYS HA H 151 4.300 4.007 0.293 1 1 1580 . 11 1 1 A 128 128 LYS C C 151 176.200 175.831 0.369 1 1 1581 . 11 1 1 A 128 128 LYS CA C 151 56.100 58.515 -2.415 1 1 1582 . 11 1 1 A 128 128 LYS CB C 151 33.200 31.159 2.041 1 1 1586 . 11 1 1 A 128 128 LYS N N 151 123.800 120.923 2.877 1 1 1587 . 11 1 1 A 129 129 GLN H H 152 8.640 8.084 0.556 1 1 1588 . 11 1 1 A 129 129 GLN HA H 152 4.270 4.270 0.000 1 1 1595 . 11 1 1 A 129 129 GLN C C 152 176.500 176.175 0.325 1 1 1596 . 11 1 1 A 129 129 GLN CA C 152 56.400 55.946 0.454 1 1 1597 . 11 1 1 A 129 129 GLN CB C 152 29.500 29.506 -0.006 1 1 1600 . 11 1 1 A 129 129 GLN N N 152 122.900 118.602 4.298 1 1 1602 . 11 1 1 A 130 130 GLY H H 153 8.640 8.787 -0.147 1 1 1603 . 11 1 1 A 130 130 GLY HA2 H 153 3.990 3.907 0.083 1 1 1604 . 11 1 1 A 130 130 GLY HA3 H 153 3.910 3.966 -0.056 1 1 1605 . 11 1 1 A 130 130 GLY C C 153 174.100 174.891 -0.791 1 1 1606 . 11 1 1 A 130 130 GLY CA C 153 45.400 45.293 0.107 1 1 1607 . 11 1 1 A 130 130 GLY N N 153 111.100 111.338 -0.238 1 1 1608 . 11 1 1 A 131 131 GLU H H 154 8.220 7.832 0.388 1 1 1609 . 11 1 1 A 131 131 GLU HA H 154 4.260 4.276 -0.016 1 1 1614 . 11 1 1 A 131 131 GLU C C 154 176.100 176.692 -0.592 1 1 1615 . 11 1 1 A 131 131 GLU CA C 154 56.600 56.919 -0.319 1 1 1616 . 11 1 1 A 131 131 GLU CB C 154 30.600 29.839 0.761 1 1 1618 . 11 1 1 A 131 131 GLU N N 154 120.500 121.293 -0.793 1 1 1619 . 11 1 1 A 132 132 ASP H H 155 8.530 8.907 -0.377 1 1 1620 . 11 1 1 A 132 132 ASP HA H 155 4.560 4.388 0.172 1 1 1623 . 11 1 1 A 132 132 ASP C C 155 176.300 175.551 0.749 1 1 1624 . 11 1 1 A 132 132 ASP CA C 155 54.300 55.372 -1.072 1 1 1625 . 11 1 1 A 132 132 ASP CB C 155 41.000 39.795 1.205 1 1 1626 . 11 1 1 A 132 132 ASP N N 155 121.300 119.849 1.451 1 1 1627 . 11 1 1 A 133 133 LEU H H 156 8.230 8.589 -0.359 1 1 1628 . 11 1 1 A 133 133 LEU HA H 156 4.200 4.309 -0.109 1 1 1638 . 11 1 1 A 133 133 LEU C C 156 177.700 176.596 1.104 1 1 1639 . 11 1 1 A 133 133 LEU CA C 156 55.500 55.132 0.368 1 1 1640 . 11 1 1 A 133 133 LEU CB C 156 42.100 42.575 -0.475 1 1 1644 . 11 1 1 A 133 133 LEU N N 156 122.500 124.752 -2.252 1 1 1645 . 11 1 1 A 134 134 GLU H H 157 8.270 8.736 -0.466 1 1 1646 . 11 1 1 A 134 134 GLU HA H 157 4.100 4.464 -0.364 1 1 1651 . 11 1 1 A 134 134 GLU C C 157 177.300 176.218 1.082 1 1 1652 . 11 1 1 A 134 134 GLU CA C 157 56.900 55.550 1.350 1 1 1653 . 11 1 1 A 134 134 GLU CB C 157 30.000 29.134 0.866 1 1 1655 . 11 1 1 A 134 134 GLU N N 157 119.800 124.620 -4.820 1 1 1656 . 11 1 1 A 135 135 HIS H H 158 8.150 8.564 -0.414 1 1 1657 . 11 1 1 A 135 135 HIS HA H 158 4.530 3.956 0.574 1 1 1662 . 11 1 1 A 135 135 HIS CA C 158 56.100 59.134 -3.034 1 1 1663 . 11 1 1 A 135 135 HIS CB C 158 30.000 29.809 0.191 1 1 1664 . 11 1 1 A 135 135 HIS N N 158 118.500 126.109 -7.609 1 1 1665 . 11 1 1 A 139 139 HIS HA H 162 4.590 4.368 0.222 1 1 1668 . 11 1 1 A 139 139 HIS C C 162 173.900 175.410 -1.510 1 1 1669 . 11 1 1 A 139 139 HIS CA C 162 55.900 59.281 -3.381 1 1 1670 . 11 1 1 A 139 139 HIS CB C 162 30.100 29.680 0.420 1 1 15 . 12 1 1 A 2 2 PHE H H 25 8.640 9.077 -0.437 1 1 16 . 12 1 1 A 2 2 PHE HA H 25 4.630 4.647 -0.017 1 1 24 . 12 1 1 A 2 2 PHE C C 25 175.000 175.618 -0.618 1 1 25 . 12 1 1 A 2 2 PHE CA C 25 58.000 58.960 -0.960 1 1 26 . 12 1 1 A 2 2 PHE CB C 25 39.700 39.699 0.001 1 1 31 . 12 1 1 A 3 3 ARG H H 26 8.210 7.753 0.457 1 1 32 . 12 1 1 A 3 3 ARG HA H 26 4.200 4.066 0.134 1 1 40 . 12 1 1 A 3 3 ARG C C 26 175.100 176.003 -0.903 1 1 41 . 12 1 1 A 3 3 ARG CA C 26 55.600 56.408 -0.808 1 1 42 . 12 1 1 A 3 3 ARG CB C 26 31.300 30.302 0.998 1 1 45 . 12 1 1 A 3 3 ARG N N 26 125.000 124.796 0.204 1 1 47 . 12 1 1 A 4 4 ALA H H 27 8.260 8.423 -0.163 1 1 48 . 12 1 1 A 4 4 ALA HA H 27 4.090 4.452 -0.362 1 1 52 . 12 1 1 A 4 4 ALA C C 27 177.300 177.698 -0.398 1 1 53 . 12 1 1 A 4 4 ALA CA C 27 52.800 51.409 1.391 1 1 54 . 12 1 1 A 4 4 ALA CB C 27 19.200 19.675 -0.475 1 1 55 . 12 1 1 A 4 4 ALA N N 27 125.400 124.213 1.187 1 1 56 . 12 1 1 A 5 5 ASP H H 28 8.260 8.790 -0.530 1 1 57 . 12 1 1 A 5 5 ASP HA H 28 4.470 4.329 0.141 1 1 60 . 12 1 1 A 5 5 ASP C C 28 176.200 176.029 0.171 1 1 61 . 12 1 1 A 5 5 ASP CA C 28 54.500 57.252 -2.752 1 1 62 . 12 1 1 A 5 5 ASP CB C 28 40.700 40.703 -0.003 1 1 63 . 12 1 1 A 5 5 ASP N N 28 118.200 119.569 -1.369 1 1 64 . 12 1 1 A 6 6 PHE H H 29 7.930 7.521 0.409 1 1 65 . 12 1 1 A 6 6 PHE HA H 29 4.510 4.686 -0.176 1 1 73 . 12 1 1 A 6 6 PHE C C 29 175.700 175.304 0.396 1 1 74 . 12 1 1 A 6 6 PHE CA C 29 58.000 56.271 1.729 1 1 75 . 12 1 1 A 6 6 PHE CB C 29 39.300 40.484 -1.184 1 1 81 . 12 1 1 A 6 6 PHE N N 29 119.400 114.975 4.425 1 1 82 . 12 1 1 A 7 7 LEU H H 30 8.000 8.611 -0.611 1 1 83 . 12 1 1 A 7 7 LEU HA H 30 4.210 4.387 -0.177 1 1 93 . 12 1 1 A 7 7 LEU C C 30 177.400 175.807 1.593 1 1 94 . 12 1 1 A 7 7 LEU CA C 30 55.400 54.262 1.138 1 1 95 . 12 1 1 A 7 7 LEU CB C 30 42.200 41.289 0.911 1 1 99 . 12 1 1 A 7 7 LEU N N 30 122.100 116.388 5.712 1 1 100 . 12 1 1 A 8 8 SER H H 31 8.130 8.330 -0.200 1 1 101 . 12 1 1 A 8 8 SER HA H 31 4.330 4.429 -0.099 1 1 104 . 12 1 1 A 8 8 SER C C 31 174.900 174.180 0.720 1 1 105 . 12 1 1 A 8 8 SER CA C 31 58.800 58.638 0.162 1 1 106 . 12 1 1 A 8 8 SER CB C 31 63.800 63.265 0.535 1 1 107 . 12 1 1 A 8 8 SER N N 31 116.000 121.249 -5.249 1 1 108 . 12 1 1 A 9 9 GLU H H 32 8.380 8.903 -0.523 1 1 109 . 12 1 1 A 9 9 GLU HA H 32 4.240 4.717 -0.477 1 1 114 . 12 1 1 A 9 9 GLU C C 32 176.600 176.640 -0.040 1 1 115 . 12 1 1 A 9 9 GLU CA C 32 57.000 55.729 1.271 1 1 116 . 12 1 1 A 9 9 GLU CB C 32 30.000 30.405 -0.405 1 1 118 . 12 1 1 A 9 9 GLU N N 32 122.200 123.968 -1.768 1 1 119 . 12 1 1 A 10 10 LEU H H 33 7.990 7.362 0.628 1 1 120 . 12 1 1 A 10 10 LEU HA H 33 4.220 4.266 -0.046 1 1 130 . 12 1 1 A 10 10 LEU C C 33 177.100 176.152 0.948 1 1 131 . 12 1 1 A 10 10 LEU CA C 33 55.500 55.329 0.171 1 1 132 . 12 1 1 A 10 10 LEU CB C 33 42.200 42.307 -0.107 1 1 136 . 12 1 1 A 10 10 LEU N N 33 121.200 123.438 -2.238 1 1 137 . 12 1 1 A 11 11 ASP H H 34 8.090 8.667 -0.577 1 1 138 . 12 1 1 A 11 11 ASP HA H 34 4.550 4.916 -0.366 1 1 141 . 12 1 1 A 11 11 ASP C C 34 175.400 175.742 -0.342 1 1 142 . 12 1 1 A 11 11 ASP CA C 34 54.200 53.732 0.468 1 1 143 . 12 1 1 A 11 11 ASP CB C 34 41.300 41.597 -0.297 1 1 144 . 12 1 1 A 11 11 ASP N N 34 120.000 123.849 -3.849 1 1 145 . 12 1 1 A 12 12 ALA H H 35 7.950 8.608 -0.658 1 1 146 . 12 1 1 A 12 12 ALA HA H 35 4.510 4.533 -0.023 1 1 150 . 12 1 1 A 12 12 ALA CA C 35 50.800 50.849 -0.049 1 1 151 . 12 1 1 A 12 12 ALA CB C 35 18.300 17.965 0.335 1 1 152 . 12 1 1 A 12 12 ALA N N 35 124.600 128.665 -4.065 1 1 153 . 12 1 1 A 13 13 PRO HA H 36 4.360 4.596 -0.236 1 1 160 . 12 1 1 A 13 13 PRO C C 36 176.900 176.513 0.387 1 1 161 . 12 1 1 A 13 13 PRO CA C 36 63.200 64.060 -0.860 1 1 162 . 12 1 1 A 13 13 PRO CB C 36 32.000 31.686 0.314 1 1 165 . 12 1 1 A 14 14 ALA H H 37 8.390 7.765 0.625 1 1 166 . 12 1 1 A 14 14 ALA HA H 37 4.230 4.192 0.038 1 1 170 . 12 1 1 A 14 14 ALA C C 37 177.900 176.805 1.095 1 1 171 . 12 1 1 A 14 14 ALA CA C 37 52.600 53.390 -0.790 1 1 172 . 12 1 1 A 14 14 ALA CB C 37 19.300 19.213 0.087 1 1 173 . 12 1 1 A 14 14 ALA N N 37 123.900 123.434 0.466 1 1 174 . 12 1 1 A 15 15 GLN H H 38 8.330 8.587 -0.257 1 1 175 . 12 1 1 A 15 15 GLN HA H 38 4.280 4.403 -0.123 1 1 182 . 12 1 1 A 15 15 GLN C C 38 175.800 175.691 0.109 1 1 183 . 12 1 1 A 15 15 GLN CA C 38 55.700 56.865 -1.165 1 1 184 . 12 1 1 A 15 15 GLN CB C 38 29.600 29.829 -0.229 1 1 187 . 12 1 1 A 15 15 GLN N N 38 119.300 121.009 -1.709 1 1 189 . 12 1 1 A 16 16 ALA H H 39 8.410 8.044 0.366 1 1 190 . 12 1 1 A 16 16 ALA HA H 39 4.070 4.112 -0.042 1 1 194 . 12 1 1 A 16 16 ALA C C 39 178.200 177.747 0.453 1 1 195 . 12 1 1 A 16 16 ALA CA C 39 52.800 53.719 -0.919 1 1 196 . 12 1 1 A 16 16 ALA CB C 39 19.300 18.245 1.055 1 1 197 . 12 1 1 A 16 16 ALA N N 39 125.600 121.095 4.505 1 1 198 . 12 1 1 A 17 17 GLY H H 40 8.510 8.610 -0.100 1 1 199 . 12 1 1 A 17 17 GLY HA2 H 40 4.010 4.067 -0.057 1 1 200 . 12 1 1 A 17 17 GLY HA3 H 40 4.010 4.067 -0.057 1 1 201 . 12 1 1 A 17 17 GLY C C 40 174.600 173.507 1.093 1 1 202 . 12 1 1 A 17 17 GLY CA C 40 45.400 44.392 1.008 1 1 203 . 12 1 1 A 17 17 GLY N N 40 108.500 108.258 0.242 1 1 204 . 12 1 1 A 18 18 THR H H 41 8.020 8.046 -0.026 1 1 205 . 12 1 1 A 18 18 THR HA H 41 4.320 4.693 -0.373 1 1 210 . 12 1 1 A 18 18 THR C C 41 174.900 173.312 1.588 1 1 211 . 12 1 1 A 18 18 THR CA C 41 62.100 61.088 1.012 1 1 212 . 12 1 1 A 18 18 THR CB C 41 69.900 69.620 0.280 1 1 214 . 12 1 1 A 18 18 THR N N 41 112.900 115.033 -2.133 1 1 215 . 12 1 1 A 19 19 GLU H H 42 8.630 8.743 -0.113 1 1 216 . 12 1 1 A 19 19 GLU HA H 42 4.300 4.499 -0.199 1 1 221 . 12 1 1 A 19 19 GLU C C 42 176.600 176.340 0.260 1 1 222 . 12 1 1 A 19 19 GLU CA C 42 56.900 55.719 1.181 1 1 223 . 12 1 1 A 19 19 GLU CB C 42 30.000 31.081 -1.081 1 1 225 . 12 1 1 A 19 19 GLU N N 42 123.000 128.142 -5.142 1 1 226 . 12 1 1 A 20 20 SER H H 43 8.330 9.035 -0.705 1 1 227 . 12 1 1 A 20 20 SER HA H 43 4.400 4.072 0.328 1 1 230 . 12 1 1 A 20 20 SER C C 43 174.300 174.397 -0.097 1 1 231 . 12 1 1 A 20 20 SER CA C 43 58.500 58.934 -0.434 1 1 232 . 12 1 1 A 20 20 SER CB C 43 63.900 61.535 2.365 1 1 233 . 12 1 1 A 20 20 SER N N 43 116.600 121.646 -5.046 1 1 234 . 12 1 1 A 21 21 ALA H H 44 8.320 8.135 0.185 1 1 235 . 12 1 1 A 21 21 ALA HA H 44 4.300 4.278 0.022 1 1 239 . 12 1 1 A 21 21 ALA C C 44 177.700 177.142 0.558 1 1 240 . 12 1 1 A 21 21 ALA CA C 44 52.700 51.963 0.737 1 1 241 . 12 1 1 A 21 21 ALA CB C 44 19.300 19.410 -0.110 1 1 242 . 12 1 1 A 21 21 ALA N N 44 126.000 129.944 -3.944 1 1 243 . 12 1 1 A 22 22 VAL H H 45 8.040 7.418 0.622 1 1 244 . 12 1 1 A 22 22 VAL HA H 45 4.100 4.117 -0.017 1 1 252 . 12 1 1 A 22 22 VAL C C 45 176.100 175.341 0.759 1 1 253 . 12 1 1 A 22 22 VAL CA C 45 62.300 61.558 0.742 1 1 254 . 12 1 1 A 22 22 VAL CB C 45 32.700 32.940 -0.240 1 1 257 . 12 1 1 A 22 22 VAL N N 45 118.100 117.191 0.909 1 1 258 . 12 1 1 A 23 23 SER H H 46 8.370 8.631 -0.261 1 1 259 . 12 1 1 A 23 23 SER HA H 46 4.410 4.589 -0.179 1 1 262 . 12 1 1 A 23 23 SER C C 46 174.900 175.076 -0.176 1 1 263 . 12 1 1 A 23 23 SER CA C 46 58.500 57.941 0.559 1 1 264 . 12 1 1 A 23 23 SER CB C 46 63.900 61.651 2.249 1 1 265 . 12 1 1 A 23 23 SER N N 46 119.100 118.869 0.231 1 1 266 . 12 1 1 A 24 24 GLY H H 47 8.370 8.845 -0.475 1 1 267 . 12 1 1 A 24 24 GLY HA2 H 47 3.950 3.789 0.161 1 1 268 . 12 1 1 A 24 24 GLY HA3 H 47 3.950 3.792 0.158 1 1 269 . 12 1 1 A 24 24 GLY C C 47 174.200 174.933 -0.733 1 1 270 . 12 1 1 A 24 24 GLY CA C 47 45.400 47.036 -1.636 1 1 271 . 12 1 1 A 24 24 GLY N N 47 110.500 110.955 -0.455 1 1 272 . 12 1 1 A 25 25 VAL H H 48 7.980 7.698 0.282 1 1 273 . 12 1 1 A 25 25 VAL HA H 48 4.040 4.105 -0.065 1 1 281 . 12 1 1 A 25 25 VAL C C 48 176.100 175.523 0.577 1 1 282 . 12 1 1 A 25 25 VAL CA C 48 62.200 61.522 0.678 1 1 283 . 12 1 1 A 25 25 VAL CB C 48 32.500 32.350 0.150 1 1 286 . 12 1 1 A 25 25 VAL N N 48 118.100 116.798 1.302 1 1 287 . 12 1 1 A 26 26 GLU H H 49 8.580 8.893 -0.313 1 1 288 . 12 1 1 A 26 26 GLU HA H 49 4.160 4.453 -0.293 1 1 293 . 12 1 1 A 26 26 GLU C C 49 176.900 177.038 -0.138 1 1 294 . 12 1 1 A 26 26 GLU CA C 49 57.400 57.515 -0.115 1 1 295 . 12 1 1 A 26 26 GLU CB C 49 29.800 31.260 -1.460 1 1 297 . 12 1 1 A 26 26 GLU N N 49 123.900 124.295 -0.395 1 1 298 . 12 1 1 A 27 27 GLY H H 50 8.330 7.259 1.071 1 1 299 . 12 1 1 A 27 27 GLY HA2 H 50 3.890 4.038 -0.148 1 1 300 . 12 1 1 A 27 27 GLY HA3 H 50 3.830 4.042 -0.212 1 1 301 . 12 1 1 A 27 27 GLY C C 50 173.800 172.508 1.292 1 1 302 . 12 1 1 A 27 27 GLY CA C 50 45.200 45.743 -0.543 1 1 303 . 12 1 1 A 27 27 GLY N N 50 109.500 104.246 5.254 1 1 304 . 12 1 1 A 28 28 LEU H H 51 7.770 8.664 -0.894 1 1 305 . 12 1 1 A 28 28 LEU HA H 51 4.470 4.994 -0.524 1 1 315 . 12 1 1 A 28 28 LEU CA C 51 52.800 52.220 0.580 1 1 316 . 12 1 1 A 28 28 LEU CB C 51 42.200 42.409 -0.209 1 1 320 . 12 1 1 A 28 28 LEU N N 51 123.000 122.025 0.975 1 1 321 . 12 1 1 A 29 29 PRO HA H 52 4.660 4.698 -0.038 1 1 328 . 12 1 1 A 29 29 PRO CA C 52 61.600 61.505 0.095 1 1 329 . 12 1 1 A 29 29 PRO CB C 52 30.800 31.248 -0.448 1 1 332 . 12 1 1 A 30 30 PRO HA H 53 4.340 4.307 0.033 1 1 339 . 12 1 1 A 30 30 PRO C C 53 177.500 177.389 0.111 1 1 340 . 12 1 1 A 30 30 PRO CA C 53 63.500 63.764 -0.264 1 1 341 . 12 1 1 A 30 30 PRO CB C 53 32.000 31.639 0.361 1 1 344 . 12 1 1 A 31 31 GLY H H 54 8.690 8.890 -0.200 1 1 345 . 12 1 1 A 31 31 GLY HA2 H 54 4.060 3.906 0.154 1 1 346 . 12 1 1 A 31 31 GLY HA3 H 54 3.660 3.913 -0.253 1 1 347 . 12 1 1 A 31 31 GLY C C 54 172.900 174.002 -1.102 1 1 348 . 12 1 1 A 31 31 GLY CA C 54 45.400 45.337 0.063 1 1 349 . 12 1 1 A 31 31 GLY N N 54 110.100 111.915 -1.815 1 1 350 . 12 1 1 A 32 32 LEU H H 55 7.510 7.712 -0.202 1 1 351 . 12 1 1 A 32 32 LEU HA H 55 4.960 5.124 -0.164 1 1 361 . 12 1 1 A 32 32 LEU C C 55 175.400 176.308 -0.908 1 1 362 . 12 1 1 A 32 32 LEU CA C 55 54.100 53.772 0.328 1 1 363 . 12 1 1 A 32 32 LEU CB C 55 44.400 43.567 0.833 1 1 367 . 12 1 1 A 32 32 LEU N N 55 119.300 122.251 -2.951 1 1 368 . 12 1 1 A 33 33 ALA H H 56 7.840 8.952 -1.112 1 1 369 . 12 1 1 A 33 33 ALA HA H 56 4.500 5.229 -0.729 1 1 373 . 12 1 1 A 33 33 ALA C C 56 178.200 175.434 2.766 1 1 374 . 12 1 1 A 33 33 ALA CA C 56 51.100 50.504 0.596 1 1 375 . 12 1 1 A 33 33 ALA CB C 56 23.900 23.808 0.092 1 1 376 . 12 1 1 A 33 33 ALA N N 56 121.800 123.993 -2.193 1 1 377 . 12 1 1 A 34 34 LEU H H 57 8.640 8.112 0.528 1 1 378 . 12 1 1 A 34 34 LEU HA H 57 4.930 4.770 0.160 1 1 388 . 12 1 1 A 34 34 LEU C C 57 174.400 174.344 0.056 1 1 389 . 12 1 1 A 34 34 LEU CA C 57 53.400 53.366 0.034 1 1 390 . 12 1 1 A 34 34 LEU CB C 57 47.300 44.993 2.307 1 1 394 . 12 1 1 A 34 34 LEU N N 57 119.200 113.789 5.411 1 1 395 . 12 1 1 A 35 35 LEU H H 58 8.640 8.474 0.166 1 1 396 . 12 1 1 A 35 35 LEU HA H 58 5.440 5.261 0.179 1 1 406 . 12 1 1 A 35 35 LEU C C 58 176.200 175.904 0.296 1 1 407 . 12 1 1 A 35 35 LEU CA C 58 52.600 53.677 -1.077 1 1 408 . 12 1 1 A 35 35 LEU CB C 58 46.000 45.609 0.391 1 1 412 . 12 1 1 A 35 35 LEU N N 58 119.400 119.708 -0.308 1 1 413 . 12 1 1 A 36 36 VAL H H 59 8.960 8.585 0.375 1 1 414 . 12 1 1 A 36 36 VAL HA H 59 4.860 4.681 0.179 1 1 422 . 12 1 1 A 36 36 VAL C C 59 176.400 175.245 1.155 1 1 423 . 12 1 1 A 36 36 VAL CA C 59 59.900 60.080 -0.180 1 1 424 . 12 1 1 A 36 36 VAL CB C 59 34.600 34.896 -0.296 1 1 427 . 12 1 1 A 36 36 VAL N N 59 120.700 122.481 -1.781 1 1 428 . 12 1 1 A 37 37 VAL H H 60 8.830 8.985 -0.155 1 1 429 . 12 1 1 A 37 37 VAL HA H 60 4.170 3.956 0.214 1 1 437 . 12 1 1 A 37 37 VAL C C 60 176.000 176.983 -0.983 1 1 438 . 12 1 1 A 37 37 VAL CA C 60 63.900 63.612 0.288 1 1 439 . 12 1 1 A 37 37 VAL CB C 60 31.400 31.205 0.195 1 1 442 . 12 1 1 A 37 37 VAL N N 60 125.700 127.101 -1.401 1 1 443 . 12 1 1 A 38 38 LYS H H 61 9.400 8.718 0.682 1 1 444 . 12 1 1 A 38 38 LYS HA H 61 4.450 4.473 -0.023 1 1 453 . 12 1 1 A 38 38 LYS C C 61 176.000 176.185 -0.185 1 1 454 . 12 1 1 A 38 38 LYS CA C 61 56.900 57.130 -0.230 1 1 455 . 12 1 1 A 38 38 LYS CB C 61 34.200 33.799 0.401 1 1 459 . 12 1 1 A 38 38 LYS N N 61 131.900 122.767 9.133 1 1 460 . 12 1 1 A 39 39 ARG H H 62 7.990 7.702 0.288 1 1 461 . 12 1 1 A 39 39 ARG HA H 62 4.700 4.871 -0.171 1 1 469 . 12 1 1 A 39 39 ARG C C 62 173.600 174.811 -1.211 1 1 470 . 12 1 1 A 39 39 ARG CA C 62 55.100 55.593 -0.493 1 1 471 . 12 1 1 A 39 39 ARG CB C 62 34.100 33.781 0.319 1 1 474 . 12 1 1 A 39 39 ARG N N 62 117.300 119.176 -1.876 1 1 476 . 12 1 1 A 40 40 GLY H H 63 8.480 8.430 0.050 1 1 477 . 12 1 1 A 40 40 GLY HA2 H 63 4.290 4.365 -0.075 1 1 478 . 12 1 1 A 40 40 GLY HA3 H 63 3.580 4.387 -0.807 1 1 479 . 12 1 1 A 40 40 GLY CA C 63 43.800 45.135 -1.335 1 1 480 . 12 1 1 A 40 40 GLY N N 63 110.800 112.760 -1.960 1 1 481 . 12 1 1 A 41 41 PRO HA H 64 4.300 4.397 -0.097 1 1 488 . 12 1 1 A 41 41 PRO C C 64 175.900 177.532 -1.632 1 1 489 . 12 1 1 A 41 41 PRO CA C 64 64.400 65.135 -0.735 1 1 490 . 12 1 1 A 41 41 PRO CB C 64 31.500 31.927 -0.427 1 1 493 . 12 1 1 A 42 42 ASN H H 65 8.310 8.545 -0.235 1 1 494 . 12 1 1 A 42 42 ASN HA H 65 4.770 4.823 -0.053 1 1 499 . 12 1 1 A 42 42 ASN C C 65 177.500 175.204 2.296 1 1 500 . 12 1 1 A 42 42 ASN CA C 65 52.100 52.105 -0.005 1 1 501 . 12 1 1 A 42 42 ASN CB C 65 36.700 37.831 -1.131 1 1 503 . 12 1 1 A 42 42 ASN N N 65 114.500 113.625 0.875 1 1 505 . 12 1 1 A 43 43 ALA H H 66 7.470 7.296 0.174 1 1 506 . 12 1 1 A 43 43 ALA HA H 66 3.690 4.106 -0.416 1 1 510 . 12 1 1 A 43 43 ALA C C 66 177.800 178.281 -0.481 1 1 511 . 12 1 1 A 43 43 ALA CA C 66 54.200 53.610 0.590 1 1 512 . 12 1 1 A 43 43 ALA CB C 66 17.700 18.838 -1.138 1 1 513 . 12 1 1 A 43 43 ALA N N 66 122.100 123.025 -0.925 1 1 514 . 12 1 1 A 44 44 GLY H H 67 9.120 8.410 0.710 1 1 515 . 12 1 1 A 44 44 GLY HA2 H 67 4.440 4.020 0.420 1 1 516 . 12 1 1 A 44 44 GLY HA3 H 67 3.490 4.021 -0.531 1 1 517 . 12 1 1 A 44 44 GLY C C 67 174.900 174.449 0.451 1 1 518 . 12 1 1 A 44 44 GLY CA C 67 44.600 44.840 -0.240 1 1 519 . 12 1 1 A 44 44 GLY N N 67 111.800 110.539 1.261 1 1 520 . 12 1 1 A 45 45 SER H H 68 8.090 7.722 0.368 1 1 521 . 12 1 1 A 45 45 SER HA H 68 4.280 4.295 -0.015 1 1 524 . 12 1 1 A 45 45 SER C C 68 171.500 173.430 -1.930 1 1 525 . 12 1 1 A 45 45 SER CA C 68 60.500 59.214 1.286 1 1 526 . 12 1 1 A 45 45 SER CB C 68 63.800 63.744 0.056 1 1 527 . 12 1 1 A 45 45 SER N N 68 117.400 117.663 -0.263 1 1 528 . 12 1 1 A 46 46 ARG H H 69 8.120 8.596 -0.476 1 1 529 . 12 1 1 A 46 46 ARG HA H 69 5.140 4.958 0.182 1 1 537 . 12 1 1 A 46 46 ARG C C 69 174.600 173.833 0.767 1 1 538 . 12 1 1 A 46 46 ARG CA C 69 54.200 54.082 0.118 1 1 539 . 12 1 1 A 46 46 ARG CB C 69 33.900 33.573 0.327 1 1 542 . 12 1 1 A 46 46 ARG N N 69 119.800 120.120 -0.320 1 1 544 . 12 1 1 A 47 47 PHE H H 70 9.180 8.895 0.285 1 1 545 . 12 1 1 A 47 47 PHE HA H 70 4.720 5.173 -0.453 1 1 553 . 12 1 1 A 47 47 PHE C C 70 173.900 174.582 -0.682 1 1 554 . 12 1 1 A 47 47 PHE CA C 70 56.400 56.672 -0.272 1 1 555 . 12 1 1 A 47 47 PHE CB C 70 41.500 40.784 0.716 1 1 561 . 12 1 1 A 47 47 PHE N N 70 120.800 120.979 -0.179 1 1 562 . 12 1 1 A 48 48 LEU H H 71 8.720 8.923 -0.203 1 1 563 . 12 1 1 A 48 48 LEU HA H 71 4.450 4.818 -0.368 1 1 573 . 12 1 1 A 48 48 LEU C C 71 176.300 175.049 1.251 1 1 574 . 12 1 1 A 48 48 LEU CA C 71 54.900 53.990 0.910 1 1 575 . 12 1 1 A 48 48 LEU CB C 71 43.200 44.549 -1.349 1 1 579 . 12 1 1 A 48 48 LEU N N 71 125.300 126.322 -1.022 1 1 580 . 12 1 1 A 49 49 LEU H H 72 8.730 8.544 0.186 1 1 581 . 12 1 1 A 49 49 LEU HA H 72 4.770 4.642 0.128 1 1 591 . 12 1 1 A 49 49 LEU C C 72 174.800 176.136 -1.336 1 1 592 . 12 1 1 A 49 49 LEU CA C 72 53.200 54.246 -1.046 1 1 593 . 12 1 1 A 49 49 LEU CB C 72 40.900 42.593 -1.693 1 1 597 . 12 1 1 A 49 49 LEU N N 72 126.900 127.427 -0.527 1 1 598 . 12 1 1 A 50 50 ASP H H 73 8.350 8.681 -0.331 1 1 599 . 12 1 1 A 50 50 ASP HA H 73 4.790 5.053 -0.263 1 1 602 . 12 1 1 A 50 50 ASP C C 73 175.600 174.757 0.843 1 1 603 . 12 1 1 A 50 50 ASP CA C 73 53.000 53.011 -0.011 1 1 604 . 12 1 1 A 50 50 ASP CB C 73 41.400 41.895 -0.495 1 1 605 . 12 1 1 A 50 50 ASP N N 73 120.400 125.874 -5.474 1 1 606 . 12 1 1 A 51 51 GLN H H 74 7.670 7.557 0.113 1 1 607 . 12 1 1 A 51 51 GLN HA H 74 4.660 4.822 -0.162 1 1 614 . 12 1 1 A 51 51 GLN C C 74 175.400 175.890 -0.490 1 1 615 . 12 1 1 A 51 51 GLN CA C 74 53.700 54.115 -0.415 1 1 616 . 12 1 1 A 51 51 GLN CB C 74 31.300 32.456 -1.156 1 1 619 . 12 1 1 A 51 51 GLN N N 74 116.200 119.437 -3.237 1 1 621 . 12 1 1 A 52 52 ALA H H 75 8.720 8.595 0.125 1 1 622 . 12 1 1 A 52 52 ALA HA H 75 4.170 4.164 0.006 1 1 626 . 12 1 1 A 52 52 ALA C C 75 178.300 177.886 0.414 1 1 627 . 12 1 1 A 52 52 ALA CA C 75 55.700 54.656 1.044 1 1 628 . 12 1 1 A 52 52 ALA CB C 75 18.500 19.245 -0.745 1 1 629 . 12 1 1 A 52 52 ALA N N 75 123.200 123.566 -0.366 1 1 630 . 12 1 1 A 53 53 ILE H H 76 8.030 8.098 -0.068 1 1 631 . 12 1 1 A 53 53 ILE HA H 76 4.650 4.796 -0.146 1 1 641 . 12 1 1 A 53 53 ILE C C 76 175.100 174.643 0.457 1 1 642 . 12 1 1 A 53 53 ILE CA C 76 61.100 60.218 0.882 1 1 643 . 12 1 1 A 53 53 ILE CB C 76 40.500 40.834 -0.334 1 1 647 . 12 1 1 A 53 53 ILE N N 76 115.400 117.169 -1.769 1 1 648 . 12 1 1 A 54 54 THR H H 77 8.840 9.045 -0.205 1 1 649 . 12 1 1 A 54 54 THR HA H 77 4.940 5.086 -0.146 1 1 654 . 12 1 1 A 54 54 THR C C 77 174.600 173.921 0.679 1 1 655 . 12 1 1 A 54 54 THR CA C 77 61.400 61.550 -0.150 1 1 656 . 12 1 1 A 54 54 THR CB C 77 70.300 70.639 -0.339 1 1 658 . 12 1 1 A 54 54 THR N N 77 125.300 125.273 0.027 1 1 659 . 12 1 1 A 55 55 SER H H 78 10.690 8.989 1.701 1 1 660 . 12 1 1 A 55 55 SER HA H 78 4.720 5.060 -0.340 1 1 663 . 12 1 1 A 55 55 SER C C 78 172.600 173.802 -1.202 1 1 664 . 12 1 1 A 55 55 SER CA C 78 57.800 58.209 -0.409 1 1 665 . 12 1 1 A 55 55 SER CB C 78 65.200 64.541 0.659 1 1 666 . 12 1 1 A 55 55 SER N N 78 126.300 123.598 2.702 1 1 667 . 12 1 1 A 56 56 ALA H H 79 8.840 8.425 0.415 1 1 668 . 12 1 1 A 56 56 ALA HA H 79 5.720 5.424 0.296 1 1 672 . 12 1 1 A 56 56 ALA C C 79 175.800 176.185 -0.385 1 1 673 . 12 1 1 A 56 56 ALA CA C 79 49.800 50.601 -0.801 1 1 674 . 12 1 1 A 56 56 ALA CB C 79 21.900 22.586 -0.686 1 1 675 . 12 1 1 A 56 56 ALA N N 79 123.200 124.892 -1.692 1 1 676 . 12 1 1 A 57 57 GLY H H 80 8.410 8.286 0.124 1 1 677 . 12 1 1 A 57 57 GLY HA2 H 80 4.400 4.206 0.194 1 1 678 . 12 1 1 A 57 57 GLY HA3 H 80 3.970 4.211 -0.241 1 1 679 . 12 1 1 A 57 57 GLY C C 80 174.800 171.234 3.566 1 1 680 . 12 1 1 A 57 57 GLY CA C 80 46.300 45.510 0.790 1 1 681 . 12 1 1 A 57 57 GLY N N 80 108.700 108.175 0.525 1 1 682 . 12 1 1 A 58 58 ARG H H 81 8.330 8.446 -0.116 1 1 683 . 12 1 1 A 58 58 ARG HA H 81 4.440 5.036 -0.596 1 1 690 . 12 1 1 A 58 58 ARG C C 81 176.400 174.766 1.634 1 1 691 . 12 1 1 A 58 58 ARG CA C 81 54.700 55.022 -0.322 1 1 692 . 12 1 1 A 58 58 ARG CB C 81 32.300 32.915 -0.615 1 1 695 . 12 1 1 A 58 58 ARG N N 81 120.400 122.348 -1.948 1 1 696 . 12 1 1 A 59 59 HIS H H 82 9.040 8.475 0.565 1 1 697 . 12 1 1 A 59 59 HIS HA H 82 4.280 4.873 -0.593 1 1 702 . 12 1 1 A 59 59 HIS CA C 82 56.800 54.158 2.642 1 1 703 . 12 1 1 A 59 59 HIS CB C 82 30.900 33.101 -2.201 1 1 705 . 12 1 1 A 59 59 HIS N N 82 124.300 122.790 1.510 1 1 708 . 12 1 1 A 60 60 PRO HA H 83 3.640 4.270 -0.630 1 1 715 . 12 1 1 A 60 60 PRO C C 83 177.000 176.057 0.943 1 1 716 . 12 1 1 A 60 60 PRO CA C 83 64.800 64.624 0.176 1 1 717 . 12 1 1 A 60 60 PRO CB C 83 31.700 32.050 -0.350 1 1 720 . 12 1 1 A 61 61 ASP H H 84 11.140 7.959 3.181 1 1 721 . 12 1 1 A 61 61 ASP HA H 84 4.700 4.872 -0.172 1 1 724 . 12 1 1 A 61 61 ASP C C 84 177.400 174.740 2.660 1 1 725 . 12 1 1 A 61 61 ASP CA C 84 53.900 53.287 0.613 1 1 726 . 12 1 1 A 61 61 ASP CB C 84 40.500 42.050 -1.550 1 1 727 . 12 1 1 A 61 61 ASP N N 84 121.600 116.818 4.782 1 1 728 . 12 1 1 A 62 62 SER H H 85 8.190 8.762 -0.572 1 1 729 . 12 1 1 A 62 62 SER HA H 85 4.030 4.475 -0.445 1 1 733 . 12 1 1 A 62 62 SER C C 85 173.400 175.016 -1.616 1 1 734 . 12 1 1 A 62 62 SER CA C 85 60.400 59.811 0.589 1 1 735 . 12 1 1 A 62 62 SER CB C 85 65.200 62.139 3.061 1 1 736 . 12 1 1 A 62 62 SER N N 85 118.100 113.979 4.121 1 1 737 . 12 1 1 A 63 63 ASP H H 86 8.270 8.828 -0.558 1 1 738 . 12 1 1 A 63 63 ASP HA H 86 4.390 4.576 -0.186 1 1 741 . 12 1 1 A 63 63 ASP C C 86 177.200 176.663 0.537 1 1 742 . 12 1 1 A 63 63 ASP CA C 86 58.300 57.645 0.655 1 1 743 . 12 1 1 A 63 63 ASP CB C 86 42.100 41.300 0.800 1 1 744 . 12 1 1 A 63 63 ASP N N 86 125.600 123.924 1.676 1 1 745 . 12 1 1 A 64 64 ILE H H 87 8.470 8.106 0.364 1 1 746 . 12 1 1 A 64 64 ILE HA H 87 3.560 3.989 -0.429 1 1 756 . 12 1 1 A 64 64 ILE C C 87 172.900 174.632 -1.732 1 1 757 . 12 1 1 A 64 64 ILE CA C 87 60.500 60.197 0.303 1 1 758 . 12 1 1 A 64 64 ILE CB C 87 37.400 38.374 -0.974 1 1 762 . 12 1 1 A 64 64 ILE N N 87 119.500 120.008 -0.508 1 1 763 . 12 1 1 A 65 65 PHE H H 88 8.100 8.295 -0.195 1 1 764 . 12 1 1 A 65 65 PHE HA H 88 5.010 5.400 -0.390 1 1 772 . 12 1 1 A 65 65 PHE C C 88 174.000 173.554 0.446 1 1 773 . 12 1 1 A 65 65 PHE CA C 88 55.600 55.555 0.045 1 1 774 . 12 1 1 A 65 65 PHE CB C 88 38.800 40.393 -1.593 1 1 779 . 12 1 1 A 65 65 PHE N N 88 127.100 123.734 3.366 1 1 780 . 12 1 1 A 66 66 LEU H H 89 7.710 8.427 -0.717 1 1 781 . 12 1 1 A 66 66 LEU HA H 89 3.620 4.675 -1.055 1 1 791 . 12 1 1 A 66 66 LEU C C 89 173.500 175.639 -2.139 1 1 792 . 12 1 1 A 66 66 LEU CA C 89 52.100 53.514 -1.414 1 1 793 . 12 1 1 A 66 66 LEU CB C 89 41.300 42.980 -1.680 1 1 797 . 12 1 1 A 66 66 LEU N N 89 131.900 126.254 5.646 1 1 798 . 12 1 1 A 67 67 ASP H H 90 7.980 8.572 -0.592 1 1 799 . 12 1 1 A 67 67 ASP HA H 90 4.260 4.734 -0.474 1 1 802 . 12 1 1 A 67 67 ASP C C 90 174.800 175.064 -0.264 1 1 803 . 12 1 1 A 67 67 ASP CA C 90 53.100 52.279 0.821 1 1 804 . 12 1 1 A 67 67 ASP CB C 90 39.900 42.738 -2.838 1 1 805 . 12 1 1 A 67 67 ASP N N 90 120.000 125.342 -5.342 1 1 806 . 12 1 1 A 68 68 ASP H H 91 7.480 8.897 -1.417 1 1 807 . 12 1 1 A 68 68 ASP HA H 91 4.850 4.597 0.253 1 1 810 . 12 1 1 A 68 68 ASP C C 91 175.600 174.853 0.747 1 1 811 . 12 1 1 A 68 68 ASP CA C 91 54.900 54.523 0.377 1 1 812 . 12 1 1 A 68 68 ASP CB C 91 48.500 40.349 8.151 1 1 813 . 12 1 1 A 68 68 ASP N N 91 121.400 121.513 -0.113 1 1 814 . 12 1 1 A 69 69 VAL H H 92 8.370 8.710 -0.340 1 1 815 . 12 1 1 A 69 69 VAL HA H 92 4.060 4.201 -0.141 1 1 823 . 12 1 1 A 69 69 VAL C C 92 175.900 176.152 -0.252 1 1 824 . 12 1 1 A 69 69 VAL CA C 92 64.800 62.798 2.002 1 1 825 . 12 1 1 A 69 69 VAL CB C 92 31.700 31.529 0.171 1 1 828 . 12 1 1 A 69 69 VAL N N 92 121.900 121.797 0.103 1 1 829 . 12 1 1 A 70 70 THR H H 93 8.360 8.622 -0.262 1 1 830 . 12 1 1 A 70 70 THR HA H 93 4.060 4.482 -0.422 1 1 836 . 12 1 1 A 70 70 THR C C 93 175.100 174.039 1.061 1 1 837 . 12 1 1 A 70 70 THR CA C 93 63.700 61.897 1.803 1 1 838 . 12 1 1 A 70 70 THR CB C 93 70.300 70.736 -0.436 1 1 840 . 12 1 1 A 70 70 THR N N 93 111.100 115.331 -4.231 1 1 841 . 12 1 1 A 71 71 VAL H H 94 8.240 8.021 0.219 1 1 842 . 12 1 1 A 71 71 VAL HA H 94 4.520 4.360 0.160 1 1 850 . 12 1 1 A 71 71 VAL C C 94 176.800 175.663 1.137 1 1 851 . 12 1 1 A 71 71 VAL CA C 94 61.200 60.589 0.611 1 1 852 . 12 1 1 A 71 71 VAL CB C 94 33.500 33.782 -0.282 1 1 855 . 12 1 1 A 71 71 VAL N N 94 125.500 121.508 3.992 1 1 856 . 12 1 1 A 72 72 SER H H 95 11.410 8.897 2.513 1 1 857 . 12 1 1 A 72 72 SER HA H 95 4.670 4.761 -0.091 1 1 860 . 12 1 1 A 72 72 SER C C 95 174.500 175.758 -1.258 1 1 861 . 12 1 1 A 72 72 SER CA C 95 60.600 57.125 3.475 1 1 862 . 12 1 1 A 72 72 SER CB C 95 64.200 65.663 -1.463 1 1 863 . 12 1 1 A 72 72 SER N N 95 126.800 121.527 5.273 1 1 864 . 12 1 1 A 73 73 ARG H H 96 9.260 8.643 0.617 1 1 865 . 12 1 1 A 73 73 ARG HA H 96 3.770 4.030 -0.260 1 1 873 . 12 1 1 A 73 73 ARG C C 96 176.600 176.453 0.147 1 1 874 . 12 1 1 A 73 73 ARG CA C 96 61.300 59.048 2.252 1 1 875 . 12 1 1 A 73 73 ARG CB C 96 29.800 30.570 -0.770 1 1 878 . 12 1 1 A 73 73 ARG N N 96 124.600 120.073 4.527 1 1 880 . 12 1 1 A 74 74 ARG H H 97 7.800 7.838 -0.038 1 1 881 . 12 1 1 A 74 74 ARG HA H 97 4.440 4.712 -0.272 1 1 889 . 12 1 1 A 74 74 ARG C C 97 173.100 176.604 -3.504 1 1 890 . 12 1 1 A 74 74 ARG CA C 97 54.800 55.007 -0.207 1 1 891 . 12 1 1 A 74 74 ARG CB C 97 29.300 30.770 -1.470 1 1 894 . 12 1 1 A 74 74 ARG N N 97 114.800 116.531 -1.731 1 1 896 . 12 1 1 A 75 75 HIS H H 98 7.840 8.016 -0.176 1 1 897 . 12 1 1 A 75 75 HIS HA H 98 4.430 4.185 0.245 1 1 903 . 12 1 1 A 75 75 HIS C C 98 173.800 174.419 -0.619 1 1 904 . 12 1 1 A 75 75 HIS CA C 98 57.800 59.719 -1.919 1 1 905 . 12 1 1 A 75 75 HIS CB C 98 35.000 30.275 4.725 1 1 908 . 12 1 1 A 75 75 HIS N N 98 124.400 119.287 5.113 1 1 910 . 12 1 1 A 76 76 ALA H H 99 8.490 7.622 0.868 1 1 911 . 12 1 1 A 76 76 ALA HA H 99 5.580 4.518 1.062 1 1 915 . 12 1 1 A 76 76 ALA C C 99 176.500 174.808 1.692 1 1 916 . 12 1 1 A 76 76 ALA CA C 99 50.300 51.106 -0.806 1 1 917 . 12 1 1 A 76 76 ALA CB C 99 23.200 22.663 0.537 1 1 918 . 12 1 1 A 76 76 ALA N N 99 116.600 118.004 -1.404 1 1 919 . 12 1 1 A 77 77 GLU H H 100 9.030 8.389 0.641 1 1 920 . 12 1 1 A 77 77 GLU HA H 100 5.030 4.989 0.041 1 1 925 . 12 1 1 A 77 77 GLU C C 100 174.100 174.417 -0.317 1 1 926 . 12 1 1 A 77 77 GLU CA C 100 54.500 55.120 -0.620 1 1 927 . 12 1 1 A 77 77 GLU CB C 100 34.900 33.677 1.223 1 1 929 . 12 1 1 A 77 77 GLU N N 100 118.100 120.494 -2.394 1 1 930 . 12 1 1 A 78 78 PHE H H 101 9.400 9.031 0.369 1 1 931 . 12 1 1 A 78 78 PHE HA H 101 5.400 5.369 0.031 1 1 939 . 12 1 1 A 78 78 PHE C C 101 176.500 175.285 1.215 1 1 940 . 12 1 1 A 78 78 PHE CA C 101 56.700 56.705 -0.005 1 1 941 . 12 1 1 A 78 78 PHE CB C 101 41.000 42.119 -1.119 1 1 946 . 12 1 1 A 78 78 PHE N N 101 119.600 123.904 -4.304 1 1 947 . 12 1 1 A 79 79 ARG H H 102 9.720 8.814 0.906 1 1 948 . 12 1 1 A 79 79 ARG HA H 102 5.490 5.296 0.194 1 1 956 . 12 1 1 A 79 79 ARG C C 102 174.300 174.241 0.059 1 1 957 . 12 1 1 A 79 79 ARG CA C 102 54.800 54.323 0.477 1 1 958 . 12 1 1 A 79 79 ARG CB C 102 33.100 34.423 -1.323 1 1 961 . 12 1 1 A 79 79 ARG N N 102 126.100 120.490 5.610 1 1 963 . 12 1 1 A 80 80 LEU H H 103 9.020 8.656 0.364 1 1 964 . 12 1 1 A 80 80 LEU HA H 103 4.400 4.938 -0.538 1 1 974 . 12 1 1 A 80 80 LEU C C 103 176.100 175.006 1.094 1 1 975 . 12 1 1 A 80 80 LEU CA C 103 54.100 53.657 0.443 1 1 976 . 12 1 1 A 80 80 LEU CB C 103 42.600 43.962 -1.362 1 1 980 . 12 1 1 A 80 80 LEU N N 103 128.000 125.328 2.672 1 1 981 . 12 1 1 A 81 81 GLU H H 104 8.860 8.741 0.119 1 1 982 . 12 1 1 A 81 81 GLU HA H 104 4.430 4.480 -0.050 1 1 987 . 12 1 1 A 81 81 GLU C C 104 175.800 174.977 0.823 1 1 988 . 12 1 1 A 81 81 GLU CA C 104 55.500 56.233 -0.733 1 1 989 . 12 1 1 A 81 81 GLU CB C 104 32.600 32.812 -0.212 1 1 991 . 12 1 1 A 81 81 GLU N N 104 128.600 125.231 3.369 1 1 992 . 12 1 1 A 82 82 ASN H H 105 9.410 9.317 0.093 1 1 993 . 12 1 1 A 82 82 ASN HA H 105 4.200 4.478 -0.278 1 1 998 . 12 1 1 A 82 82 ASN C C 105 174.300 174.476 -0.176 1 1 999 . 12 1 1 A 82 82 ASN CA C 105 54.700 54.589 0.111 1 1 1000 . 12 1 1 A 82 82 ASN CB C 105 37.200 36.959 0.241 1 1 1002 . 12 1 1 A 82 82 ASN N N 105 124.600 124.903 -0.303 1 1 1004 . 12 1 1 A 83 83 ASN H H 106 8.640 8.433 0.207 1 1 1005 . 12 1 1 A 83 83 ASN HA H 106 4.010 4.183 -0.173 1 1 1010 . 12 1 1 A 83 83 ASN C C 106 173.100 173.675 -0.575 1 1 1011 . 12 1 1 A 83 83 ASN CA C 106 54.900 54.626 0.274 1 1 1012 . 12 1 1 A 83 83 ASN CB C 106 38.100 37.044 1.056 1 1 1014 . 12 1 1 A 83 83 ASN N N 106 108.900 108.471 0.429 1 1 1016 . 12 1 1 A 84 84 GLU H H 107 7.660 7.565 0.095 1 1 1017 . 12 1 1 A 84 84 GLU HA H 107 4.660 4.768 -0.108 1 1 1022 . 12 1 1 A 84 84 GLU C C 107 174.300 174.925 -0.625 1 1 1023 . 12 1 1 A 84 84 GLU CA C 107 54.700 54.732 -0.032 1 1 1024 . 12 1 1 A 84 84 GLU CB C 107 32.900 33.511 -0.611 1 1 1026 . 12 1 1 A 84 84 GLU N N 107 118.300 117.208 1.092 1 1 1027 . 12 1 1 A 85 85 PHE H H 108 9.690 8.969 0.721 1 1 1028 . 12 1 1 A 85 85 PHE HA H 108 5.000 4.779 0.221 1 1 1035 . 12 1 1 A 85 85 PHE C C 108 174.500 176.125 -1.625 1 1 1036 . 12 1 1 A 85 85 PHE CA C 108 58.600 58.968 -0.368 1 1 1037 . 12 1 1 A 85 85 PHE CB C 108 41.800 40.133 1.667 1 1 1042 . 12 1 1 A 85 85 PHE N N 108 121.100 121.802 -0.702 1 1 1043 . 12 1 1 A 86 86 ASN H H 109 9.180 9.166 0.014 1 1 1044 . 12 1 1 A 86 86 ASN HA H 109 5.580 5.336 0.244 1 1 1049 . 12 1 1 A 86 86 ASN C C 109 175.000 173.515 1.485 1 1 1050 . 12 1 1 A 86 86 ASN CA C 109 51.200 52.264 -1.064 1 1 1051 . 12 1 1 A 86 86 ASN CB C 109 42.100 42.501 -0.401 1 1 1053 . 12 1 1 A 86 86 ASN N N 109 119.400 118.927 0.473 1 1 1055 . 12 1 1 A 87 87 VAL H H 110 9.060 8.542 0.518 1 1 1056 . 12 1 1 A 87 87 VAL HA H 110 4.940 4.850 0.090 1 1 1064 . 12 1 1 A 87 87 VAL C C 110 171.700 173.646 -1.946 1 1 1065 . 12 1 1 A 87 87 VAL CA C 110 58.400 59.938 -1.538 1 1 1066 . 12 1 1 A 87 87 VAL CB C 110 33.800 34.490 -0.690 1 1 1069 . 12 1 1 A 87 87 VAL N N 110 121.300 120.006 1.294 1 1 1070 . 12 1 1 A 88 88 VAL H H 111 8.640 8.748 -0.108 1 1 1071 . 12 1 1 A 88 88 VAL HA H 111 4.590 4.506 0.084 1 1 1079 . 12 1 1 A 88 88 VAL C C 111 175.700 174.221 1.479 1 1 1080 . 12 1 1 A 88 88 VAL CA C 111 60.100 60.622 -0.522 1 1 1081 . 12 1 1 A 88 88 VAL CB C 111 36.200 34.553 1.647 1 1 1084 . 12 1 1 A 88 88 VAL N N 111 125.500 128.177 -2.677 1 1 1085 . 12 1 1 A 89 89 ASP H H 112 8.480 8.622 -0.142 1 1 1086 . 12 1 1 A 89 89 ASP HA H 112 4.870 5.089 -0.219 1 1 1089 . 12 1 1 A 89 89 ASP C C 112 177.200 175.240 1.960 1 1 1090 . 12 1 1 A 89 89 ASP CA C 112 54.700 52.786 1.914 1 1 1091 . 12 1 1 A 89 89 ASP CB C 112 43.600 42.330 1.270 1 1 1092 . 12 1 1 A 89 89 ASP N N 112 126.600 126.199 0.401 1 1 1093 . 12 1 1 A 90 90 VAL H H 113 7.980 8.347 -0.367 1 1 1094 . 12 1 1 A 90 90 VAL HA H 113 4.540 4.166 0.374 1 1 1102 . 12 1 1 A 90 90 VAL C C 113 174.400 175.817 -1.417 1 1 1103 . 12 1 1 A 90 90 VAL CA C 113 60.300 61.540 -1.240 1 1 1104 . 12 1 1 A 90 90 VAL CB C 113 29.500 31.082 -1.582 1 1 1107 . 12 1 1 A 90 90 VAL N N 113 119.700 120.275 -0.575 1 1 1108 . 12 1 1 A 91 91 GLY H H 114 8.600 8.394 0.206 1 1 1109 . 12 1 1 A 91 91 GLY HA2 H 114 4.260 4.127 0.133 1 1 1110 . 12 1 1 A 91 91 GLY HA3 H 114 3.720 4.134 -0.414 1 1 1111 . 12 1 1 A 91 91 GLY C C 114 175.300 175.177 0.123 1 1 1112 . 12 1 1 A 91 91 GLY CA C 114 45.700 44.156 1.544 1 1 1113 . 12 1 1 A 91 91 GLY N N 114 111.300 114.083 -2.783 1 1 1114 . 12 1 1 A 92 92 SER H H 115 9.190 8.672 0.518 1 1 1115 . 12 1 1 A 92 92 SER HA H 115 3.890 4.185 -0.295 1 1 1118 . 12 1 1 A 92 92 SER C C 115 174.500 174.790 -0.290 1 1 1119 . 12 1 1 A 92 92 SER CA C 115 58.600 62.537 -3.937 1 1 1120 . 12 1 1 A 92 92 SER CB C 115 61.300 63.124 -1.824 1 1 1121 . 12 1 1 A 92 92 SER N N 115 121.000 116.600 4.400 1 1 1122 . 12 1 1 A 93 93 LEU H H 116 7.720 7.447 0.273 1 1 1123 . 12 1 1 A 93 93 LEU HA H 116 4.250 4.388 -0.138 1 1 1133 . 12 1 1 A 93 93 LEU C C 116 179.100 175.721 3.379 1 1 1134 . 12 1 1 A 93 93 LEU CA C 116 57.200 55.319 1.881 1 1 1135 . 12 1 1 A 93 93 LEU CB C 116 42.100 42.718 -0.618 1 1 1139 . 12 1 1 A 93 93 LEU N N 116 120.500 122.454 -1.954 1 1 1140 . 12 1 1 A 94 94 ASN H H 117 8.450 8.875 -0.425 1 1 1141 . 12 1 1 A 94 94 ASN HA H 117 4.870 5.056 -0.186 1 1 1146 . 12 1 1 A 94 94 ASN C C 117 175.800 174.166 1.634 1 1 1147 . 12 1 1 A 94 94 ASN CA C 117 54.000 52.580 1.420 1 1 1148 . 12 1 1 A 94 94 ASN CB C 117 40.100 42.018 -1.918 1 1 1150 . 12 1 1 A 94 94 ASN N N 117 112.500 123.587 -11.087 1 1 1152 . 12 1 1 A 95 95 GLY H H 118 7.940 9.246 -1.306 1 1 1153 . 12 1 1 A 95 95 GLY HA2 H 118 4.190 3.888 0.302 1 1 1154 . 12 1 1 A 95 95 GLY HA3 H 118 3.610 3.971 -0.361 1 1 1155 . 12 1 1 A 95 95 GLY C C 118 174.000 173.579 0.421 1 1 1156 . 12 1 1 A 95 95 GLY CA C 118 44.300 45.186 -0.886 1 1 1157 . 12 1 1 A 95 95 GLY N N 118 109.800 111.679 -1.879 1 1 1158 . 12 1 1 A 96 96 THR H H 119 8.940 7.286 1.654 1 1 1159 . 12 1 1 A 96 96 THR HA H 119 3.820 4.326 -0.506 1 1 1165 . 12 1 1 A 96 96 THR C C 119 172.300 173.727 -1.427 1 1 1166 . 12 1 1 A 96 96 THR CA C 119 64.100 62.928 1.172 1 1 1167 . 12 1 1 A 96 96 THR CB C 119 70.200 69.116 1.084 1 1 1169 . 12 1 1 A 96 96 THR N N 119 122.000 114.964 7.036 1 1 1170 . 12 1 1 A 97 97 TYR H H 120 8.220 8.919 -0.699 1 1 1171 . 12 1 1 A 97 97 TYR HA H 120 5.340 5.049 0.291 1 1 1178 . 12 1 1 A 97 97 TYR C C 120 175.900 174.410 1.490 1 1 1179 . 12 1 1 A 97 97 TYR CA C 120 55.600 56.378 -0.778 1 1 1180 . 12 1 1 A 97 97 TYR CB C 120 41.400 42.991 -1.591 1 1 1185 . 12 1 1 A 97 97 TYR N N 120 122.800 124.495 -1.695 1 1 1186 . 12 1 1 A 98 98 VAL H H 121 9.040 8.605 0.435 1 1 1187 . 12 1 1 A 98 98 VAL HA H 121 5.010 4.801 0.209 1 1 1195 . 12 1 1 A 98 98 VAL C C 121 176.900 175.035 1.865 1 1 1196 . 12 1 1 A 98 98 VAL CA C 121 61.100 59.872 1.228 1 1 1197 . 12 1 1 A 98 98 VAL CB C 121 33.000 34.919 -1.919 1 1 1200 . 12 1 1 A 98 98 VAL N N 121 121.400 121.090 0.310 1 1 1201 . 12 1 1 A 99 99 ASN H H 122 10.100 9.524 0.576 1 1 1202 . 12 1 1 A 99 99 ASN HA H 122 4.440 4.459 -0.019 1 1 1207 . 12 1 1 A 99 99 ASN C C 122 174.500 174.502 -0.002 1 1 1208 . 12 1 1 A 99 99 ASN CA C 122 55.000 54.706 0.294 1 1 1209 . 12 1 1 A 99 99 ASN CB C 122 37.000 36.927 0.073 1 1 1211 . 12 1 1 A 99 99 ASN N N 122 129.400 127.302 2.098 1 1 1213 . 12 1 1 A 100 100 ARG H H 123 9.290 8.574 0.716 1 1 1214 . 12 1 1 A 100 100 ARG HA H 123 3.680 3.815 -0.135 1 1 1222 . 12 1 1 A 100 100 ARG C C 123 175.200 174.309 0.891 1 1 1223 . 12 1 1 A 100 100 ARG CA C 123 58.100 57.450 0.650 1 1 1224 . 12 1 1 A 100 100 ARG CB C 123 27.600 27.521 0.079 1 1 1227 . 12 1 1 A 100 100 ARG N N 123 106.100 109.215 -3.115 1 1 1229 . 12 1 1 A 101 101 GLU H H 124 7.970 7.517 0.453 1 1 1230 . 12 1 1 A 101 101 GLU HA H 124 5.110 4.680 0.430 1 1 1235 . 12 1 1 A 101 101 GLU CA C 124 53.000 54.159 -1.159 1 1 1236 . 12 1 1 A 101 101 GLU CB C 124 30.900 32.556 -1.656 1 1 1238 . 12 1 1 A 101 101 GLU N N 124 121.300 116.064 5.236 1 1 1239 . 12 1 1 A 102 102 PRO HA H 125 4.050 4.824 -0.774 1 1 1246 . 12 1 1 A 102 102 PRO C C 125 177.500 175.272 2.228 1 1 1247 . 12 1 1 A 102 102 PRO CA C 125 62.300 63.005 -0.705 1 1 1248 . 12 1 1 A 102 102 PRO CB C 125 31.300 32.325 -1.025 1 1 1251 . 12 1 1 A 103 103 VAL H H 126 8.330 8.670 -0.340 1 1 1252 . 12 1 1 A 103 103 VAL HA H 126 4.700 4.822 -0.122 1 1 1260 . 12 1 1 A 103 103 VAL C C 126 174.500 172.534 1.966 1 1 1261 . 12 1 1 A 103 103 VAL CA C 126 58.900 59.693 -0.793 1 1 1262 . 12 1 1 A 103 103 VAL CB C 126 35.300 35.784 -0.484 1 1 1265 . 12 1 1 A 103 103 VAL N N 126 115.000 122.001 -7.001 1 1 1266 . 12 1 1 A 104 104 ASP H H 127 8.520 8.828 -0.308 1 1 1267 . 12 1 1 A 104 104 ASP HA H 127 4.780 4.917 -0.137 1 1 1270 . 12 1 1 A 104 104 ASP C C 127 176.200 175.379 0.821 1 1 1271 . 12 1 1 A 104 104 ASP CA C 127 55.800 52.410 3.390 1 1 1272 . 12 1 1 A 104 104 ASP CB C 127 41.100 41.410 -0.310 1 1 1273 . 12 1 1 A 104 104 ASP N N 127 120.800 127.313 -6.513 1 1 1274 . 12 1 1 A 105 105 SER H H 128 7.650 8.038 -0.388 1 1 1275 . 12 1 1 A 105 105 SER HA H 128 5.440 4.624 0.816 1 1 1278 . 12 1 1 A 105 105 SER C C 128 173.400 172.543 0.857 1 1 1279 . 12 1 1 A 105 105 SER CA C 128 56.600 58.654 -2.054 1 1 1280 . 12 1 1 A 105 105 SER CB C 128 65.000 61.307 3.693 1 1 1281 . 12 1 1 A 105 105 SER N N 128 111.500 118.367 -6.867 1 1 1282 . 12 1 1 A 106 106 ALA H H 129 8.790 8.361 0.429 1 1 1283 . 12 1 1 A 106 106 ALA HA H 129 4.610 4.973 -0.363 1 1 1287 . 12 1 1 A 106 106 ALA C C 129 175.300 176.075 -0.775 1 1 1288 . 12 1 1 A 106 106 ALA CA C 129 52.100 51.203 0.897 1 1 1289 . 12 1 1 A 106 106 ALA CB C 129 22.600 23.124 -0.524 1 1 1290 . 12 1 1 A 106 106 ALA N N 129 125.100 124.821 0.279 1 1 1291 . 12 1 1 A 107 107 VAL H H 130 8.340 8.577 -0.237 1 1 1292 . 12 1 1 A 107 107 VAL HA H 130 4.160 4.351 -0.191 1 1 1300 . 12 1 1 A 107 107 VAL C C 130 176.300 176.145 0.155 1 1 1301 . 12 1 1 A 107 107 VAL CA C 130 62.600 62.587 0.013 1 1 1302 . 12 1 1 A 107 107 VAL CB C 130 32.000 31.985 0.015 1 1 1305 . 12 1 1 A 107 107 VAL N N 130 122.800 119.667 3.133 1 1 1306 . 12 1 1 A 108 108 LEU H H 131 8.490 8.234 0.256 1 1 1307 . 12 1 1 A 108 108 LEU HA H 131 4.370 4.219 0.151 1 1 1317 . 12 1 1 A 108 108 LEU C C 131 175.200 176.114 -0.914 1 1 1318 . 12 1 1 A 108 108 LEU CA C 131 54.200 54.487 -0.287 1 1 1319 . 12 1 1 A 108 108 LEU CB C 131 43.000 41.617 1.383 1 1 1323 . 12 1 1 A 108 108 LEU N N 131 128.900 128.192 0.708 1 1 1324 . 12 1 1 A 109 109 ALA H H 132 9.130 9.097 0.033 1 1 1325 . 12 1 1 A 109 109 ALA HA H 132 4.750 5.229 -0.479 1 1 1329 . 12 1 1 A 109 109 ALA C C 132 176.500 176.443 0.057 1 1 1330 . 12 1 1 A 109 109 ALA CA C 132 49.700 50.564 -0.864 1 1 1331 . 12 1 1 A 109 109 ALA CB C 132 22.400 23.177 -0.777 1 1 1332 . 12 1 1 A 109 109 ALA N N 132 126.000 122.139 3.861 1 1 1333 . 12 1 1 A 110 110 ASN H H 133 8.860 8.793 0.067 1 1 1334 . 12 1 1 A 110 110 ASN HA H 133 4.430 4.620 -0.190 1 1 1339 . 12 1 1 A 110 110 ASN C C 133 176.400 175.958 0.442 1 1 1340 . 12 1 1 A 110 110 ASN CA C 133 56.400 54.586 1.814 1 1 1341 . 12 1 1 A 110 110 ASN CB C 133 39.800 38.036 1.764 1 1 1343 . 12 1 1 A 110 110 ASN N N 133 117.600 119.192 -1.592 1 1 1345 . 12 1 1 A 111 111 GLY H H 134 10.100 8.533 1.567 1 1 1346 . 12 1 1 A 111 111 GLY HA2 H 134 4.430 3.936 0.494 1 1 1347 . 12 1 1 A 111 111 GLY HA3 H 134 3.410 3.945 -0.535 1 1 1348 . 12 1 1 A 111 111 GLY C C 134 174.800 174.200 0.600 1 1 1349 . 12 1 1 A 111 111 GLY CA C 134 45.100 45.615 -0.515 1 1 1350 . 12 1 1 A 111 111 GLY N N 134 117.200 111.968 5.232 1 1 1351 . 12 1 1 A 112 112 ASP H H 135 8.640 8.002 0.638 1 1 1352 . 12 1 1 A 112 112 ASP HA H 135 4.430 4.952 -0.522 1 1 1355 . 12 1 1 A 112 112 ASP C C 135 174.700 175.610 -0.910 1 1 1356 . 12 1 1 A 112 112 ASP CA C 135 56.200 53.880 2.320 1 1 1357 . 12 1 1 A 112 112 ASP CB C 135 42.100 42.214 -0.114 1 1 1358 . 12 1 1 A 112 112 ASP N N 135 122.900 120.905 1.995 1 1 1359 . 12 1 1 A 113 113 GLU H H 136 8.360 8.642 -0.282 1 1 1360 . 12 1 1 A 113 113 GLU HA H 136 5.220 5.163 0.057 1 1 1365 . 12 1 1 A 113 113 GLU C C 136 176.000 175.596 0.404 1 1 1366 . 12 1 1 A 113 113 GLU CA C 136 54.400 54.865 -0.465 1 1 1367 . 12 1 1 A 113 113 GLU CB C 136 32.900 32.901 -0.001 1 1 1369 . 12 1 1 A 113 113 GLU N N 136 119.000 120.898 -1.898 1 1 1370 . 12 1 1 A 114 114 VAL H H 137 9.800 9.260 0.540 1 1 1371 . 12 1 1 A 114 114 VAL HA H 137 5.160 5.070 0.090 1 1 1379 . 12 1 1 A 114 114 VAL C C 137 174.400 174.627 -0.227 1 1 1380 . 12 1 1 A 114 114 VAL CA C 137 60.400 60.773 -0.373 1 1 1381 . 12 1 1 A 114 114 VAL CB C 137 34.300 35.063 -0.763 1 1 1384 . 12 1 1 A 114 114 VAL N N 137 129.000 123.341 5.659 1 1 1385 . 12 1 1 A 115 115 GLN H H 138 9.610 8.698 0.912 1 1 1386 . 12 1 1 A 115 115 GLN HA H 138 5.430 5.398 0.032 1 1 1393 . 12 1 1 A 115 115 GLN C C 138 174.800 174.775 0.025 1 1 1394 . 12 1 1 A 115 115 GLN CA C 138 54.500 54.261 0.239 1 1 1395 . 12 1 1 A 115 115 GLN CB C 138 30.700 31.680 -0.980 1 1 1398 . 12 1 1 A 115 115 GLN N N 138 129.300 127.671 1.629 1 1 1399 . 12 1 1 A 116 116 ILE H H 139 8.400 8.694 -0.294 1 1 1400 . 12 1 1 A 116 116 ILE HA H 139 4.020 4.515 -0.495 1 1 1410 . 12 1 1 A 116 116 ILE C C 139 174.500 176.381 -1.881 1 1 1411 . 12 1 1 A 116 116 ILE CA C 139 60.600 60.120 0.480 1 1 1412 . 12 1 1 A 116 116 ILE CB C 139 40.900 40.609 0.291 1 1 1416 . 12 1 1 A 116 116 ILE N N 139 128.300 126.754 1.546 1 1 1417 . 12 1 1 A 117 117 GLY H H 140 9.650 9.274 0.376 1 1 1418 . 12 1 1 A 117 117 GLY HA2 H 140 3.820 3.696 0.124 1 1 1419 . 12 1 1 A 117 117 GLY HA3 H 140 3.630 3.855 -0.225 1 1 1420 . 12 1 1 A 117 117 GLY C C 140 175.400 174.588 0.812 1 1 1421 . 12 1 1 A 117 117 GLY CA C 140 46.500 46.379 0.121 1 1 1422 . 12 1 1 A 117 117 GLY N N 140 116.800 116.943 -0.143 1 1 1423 . 12 1 1 A 118 118 LYS H H 141 7.960 8.356 -0.396 1 1 1424 . 12 1 1 A 118 118 LYS HA H 141 4.070 4.070 0.000 1 1 1433 . 12 1 1 A 118 118 LYS C C 141 175.600 175.259 0.341 1 1 1434 . 12 1 1 A 118 118 LYS CA C 141 56.700 57.906 -1.206 1 1 1435 . 12 1 1 A 118 118 LYS CB C 141 32.600 32.082 0.518 1 1 1439 . 12 1 1 A 118 118 LYS N N 141 122.400 116.641 5.759 1 1 1440 . 12 1 1 A 119 119 PHE H H 142 8.260 7.956 0.304 1 1 1441 . 12 1 1 A 119 119 PHE HA H 142 4.540 4.503 0.037 1 1 1449 . 12 1 1 A 119 119 PHE C C 142 174.700 175.824 -1.124 1 1 1450 . 12 1 1 A 119 119 PHE CA C 142 58.200 58.902 -0.702 1 1 1451 . 12 1 1 A 119 119 PHE CB C 142 39.900 39.936 -0.036 1 1 1456 . 12 1 1 A 119 119 PHE N N 142 119.500 119.900 -0.400 1 1 1457 . 12 1 1 A 120 120 ARG H H 143 8.690 8.778 -0.088 1 1 1458 . 12 1 1 A 120 120 ARG HA H 143 5.020 4.975 0.045 1 1 1465 . 12 1 1 A 120 120 ARG C C 143 174.800 175.581 -0.781 1 1 1466 . 12 1 1 A 120 120 ARG CA C 143 55.100 55.224 -0.124 1 1 1467 . 12 1 1 A 120 120 ARG CB C 143 32.800 31.838 0.962 1 1 1470 . 12 1 1 A 120 120 ARG N N 143 121.500 122.102 -0.602 1 1 1471 . 12 1 1 A 121 121 LEU H H 144 9.760 9.622 0.138 1 1 1472 . 12 1 1 A 121 121 LEU HA H 144 5.420 5.243 0.177 1 1 1482 . 12 1 1 A 121 121 LEU C C 144 175.000 174.800 0.200 1 1 1483 . 12 1 1 A 121 121 LEU CA C 144 53.900 53.380 0.520 1 1 1484 . 12 1 1 A 121 121 LEU CB C 144 44.900 45.406 -0.506 1 1 1488 . 12 1 1 A 121 121 LEU N N 144 126.400 125.573 0.827 1 1 1489 . 12 1 1 A 122 122 VAL H H 145 9.370 8.913 0.457 1 1 1490 . 12 1 1 A 122 122 VAL HA H 145 5.010 5.037 -0.027 1 1 1498 . 12 1 1 A 122 122 VAL C C 145 173.700 174.087 -0.387 1 1 1499 . 12 1 1 A 122 122 VAL CA C 145 60.800 59.791 1.009 1 1 1500 . 12 1 1 A 122 122 VAL CB C 145 34.300 34.264 0.036 1 1 1503 . 12 1 1 A 122 122 VAL N N 145 121.900 124.328 -2.428 1 1 1504 . 12 1 1 A 123 123 PHE H H 146 8.830 9.552 -0.722 1 1 1505 . 12 1 1 A 123 123 PHE HA H 146 4.980 4.806 0.174 1 1 1513 . 12 1 1 A 123 123 PHE C C 146 172.700 173.976 -1.276 1 1 1514 . 12 1 1 A 123 123 PHE CA C 146 57.100 56.676 0.424 1 1 1515 . 12 1 1 A 123 123 PHE CB C 146 41.100 40.092 1.008 1 1 1521 . 12 1 1 A 123 123 PHE N N 146 128.700 130.411 -1.711 1 1 1522 . 12 1 1 A 124 124 LEU H H 147 8.650 8.417 0.233 1 1 1523 . 12 1 1 A 124 124 LEU HA H 147 5.020 4.948 0.072 1 1 1533 . 12 1 1 A 124 124 LEU C C 147 175.300 175.785 -0.485 1 1 1534 . 12 1 1 A 124 124 LEU CA C 147 52.600 52.989 -0.389 1 1 1535 . 12 1 1 A 124 124 LEU CB C 147 45.600 45.362 0.238 1 1 1539 . 12 1 1 A 124 124 LEU N N 147 128.000 128.601 -0.601 1 1 1540 . 12 1 1 A 125 125 THR H H 148 8.300 8.909 -0.609 1 1 1541 . 12 1 1 A 125 125 THR HA H 148 4.330 5.263 -0.933 1 1 1546 . 12 1 1 A 125 125 THR C C 148 173.900 173.300 0.600 1 1 1547 . 12 1 1 A 125 125 THR CA C 148 60.200 60.622 -0.422 1 1 1548 . 12 1 1 A 125 125 THR CB C 148 70.300 71.240 -0.940 1 1 1550 . 12 1 1 A 125 125 THR N N 148 110.600 114.409 -3.809 1 1 1551 . 12 1 1 A 126 126 GLY H H 149 8.310 8.998 -0.688 1 1 1552 . 12 1 1 A 126 126 GLY HA2 H 149 3.840 4.032 -0.192 1 1 1553 . 12 1 1 A 126 126 GLY HA3 H 149 3.840 4.040 -0.200 1 1 1554 . 12 1 1 A 126 126 GLY CA C 149 45.200 45.604 -0.404 1 1 1555 . 12 1 1 A 126 126 GLY N N 149 109.800 110.790 -0.990 1 1 1556 . 12 1 1 A 127 127 HIS H H 150 8.310 8.504 -0.194 1 1 1557 . 12 1 1 A 127 127 HIS HA H 150 4.630 4.899 -0.269 1 1 1562 . 12 1 1 A 127 127 HIS C C 150 174.800 175.057 -0.257 1 1 1563 . 12 1 1 A 127 127 HIS CA C 150 55.900 55.048 0.852 1 1 1564 . 12 1 1 A 127 127 HIS CB C 150 30.700 31.168 -0.468 1 1 1567 . 12 1 1 A 127 127 HIS N N 150 119.300 119.782 -0.482 1 1 1570 . 12 1 1 A 128 128 LYS H H 151 8.490 7.791 0.699 1 1 1571 . 12 1 1 A 128 128 LYS HA H 151 4.300 3.764 0.536 1 1 1580 . 12 1 1 A 128 128 LYS C C 151 176.200 175.964 0.236 1 1 1581 . 12 1 1 A 128 128 LYS CA C 151 56.100 57.947 -1.847 1 1 1582 . 12 1 1 A 128 128 LYS CB C 151 33.200 30.867 2.333 1 1 1586 . 12 1 1 A 128 128 LYS N N 151 123.800 114.790 9.010 1 1 1587 . 12 1 1 A 129 129 GLN H H 152 8.640 8.351 0.289 1 1 1588 . 12 1 1 A 129 129 GLN HA H 152 4.270 4.190 0.080 1 1 1595 . 12 1 1 A 129 129 GLN C C 152 176.500 175.075 1.425 1 1 1596 . 12 1 1 A 129 129 GLN CA C 152 56.400 57.762 -1.362 1 1 1597 . 12 1 1 A 129 129 GLN CB C 152 29.500 28.699 0.801 1 1 1600 . 12 1 1 A 129 129 GLN N N 152 122.900 122.274 0.626 1 1 1602 . 12 1 1 A 130 130 GLY H H 153 8.640 8.558 0.082 1 1 1603 . 12 1 1 A 130 130 GLY HA2 H 153 3.990 4.202 -0.212 1 1 1604 . 12 1 1 A 130 130 GLY HA3 H 153 3.910 4.222 -0.312 1 1 1605 . 12 1 1 A 130 130 GLY C C 153 174.100 173.237 0.863 1 1 1606 . 12 1 1 A 130 130 GLY CA C 153 45.400 45.639 -0.239 1 1 1607 . 12 1 1 A 130 130 GLY N N 153 111.100 111.943 -0.843 1 1 1608 . 12 1 1 A 131 131 GLU H H 154 8.220 8.551 -0.331 1 1 1609 . 12 1 1 A 131 131 GLU HA H 154 4.260 4.413 -0.153 1 1 1614 . 12 1 1 A 131 131 GLU C C 154 176.100 176.309 -0.209 1 1 1615 . 12 1 1 A 131 131 GLU CA C 154 56.600 56.797 -0.197 1 1 1616 . 12 1 1 A 131 131 GLU CB C 154 30.600 30.271 0.329 1 1 1618 . 12 1 1 A 131 131 GLU N N 154 120.500 124.138 -3.638 1 1 1619 . 12 1 1 A 132 132 ASP H H 155 8.530 8.909 -0.379 1 1 1620 . 12 1 1 A 132 132 ASP HA H 155 4.560 4.874 -0.314 1 1 1623 . 12 1 1 A 132 132 ASP C C 155 176.300 176.374 -0.074 1 1 1624 . 12 1 1 A 132 132 ASP CA C 155 54.300 54.174 0.126 1 1 1625 . 12 1 1 A 132 132 ASP CB C 155 41.000 41.518 -0.518 1 1 1626 . 12 1 1 A 132 132 ASP N N 155 121.300 122.272 -0.972 1 1 1627 . 12 1 1 A 133 133 LEU H H 156 8.230 7.571 0.659 1 1 1628 . 12 1 1 A 133 133 LEU HA H 156 4.200 4.326 -0.126 1 1 1638 . 12 1 1 A 133 133 LEU C C 156 177.700 176.336 1.364 1 1 1639 . 12 1 1 A 133 133 LEU CA C 156 55.500 54.838 0.662 1 1 1640 . 12 1 1 A 133 133 LEU CB C 156 42.100 41.908 0.192 1 1 1644 . 12 1 1 A 133 133 LEU N N 156 122.500 121.632 0.868 1 1 1645 . 12 1 1 A 134 134 GLU H H 157 8.270 8.788 -0.518 1 1 1646 . 12 1 1 A 134 134 GLU HA H 157 4.100 4.451 -0.351 1 1 1651 . 12 1 1 A 134 134 GLU C C 157 177.300 177.224 0.076 1 1 1652 . 12 1 1 A 134 134 GLU CA C 157 56.900 57.846 -0.946 1 1 1653 . 12 1 1 A 134 134 GLU CB C 157 30.000 31.183 -1.183 1 1 1655 . 12 1 1 A 134 134 GLU N N 157 119.800 123.487 -3.687 1 1 1656 . 12 1 1 A 135 135 HIS H H 158 8.150 8.466 -0.316 1 1 1657 . 12 1 1 A 135 135 HIS HA H 158 4.530 4.206 0.324 1 1 1662 . 12 1 1 A 135 135 HIS CA C 158 56.100 59.443 -3.343 1 1 1663 . 12 1 1 A 135 135 HIS CB C 158 30.000 30.089 -0.089 1 1 1664 . 12 1 1 A 135 135 HIS N N 158 118.500 118.320 0.180 1 1 1665 . 12 1 1 A 139 139 HIS HA H 162 4.590 4.527 0.063 1 1 1668 . 12 1 1 A 139 139 HIS C C 162 173.900 174.625 -0.725 1 1 1669 . 12 1 1 A 139 139 HIS CA C 162 55.900 57.064 -1.164 1 1 1670 . 12 1 1 A 139 139 HIS CB C 162 30.100 30.000 0.100 1 1 15 . 13 1 1 A 2 2 PHE H H 25 8.640 7.863 0.777 1 1 16 . 13 1 1 A 2 2 PHE HA H 25 4.630 4.451 0.179 1 1 24 . 13 1 1 A 2 2 PHE C C 25 175.000 174.573 0.427 1 1 25 . 13 1 1 A 2 2 PHE CA C 25 58.000 56.869 1.131 1 1 26 . 13 1 1 A 2 2 PHE CB C 25 39.700 40.076 -0.376 1 1 31 . 13 1 1 A 3 3 ARG H H 26 8.210 8.648 -0.438 1 1 32 . 13 1 1 A 3 3 ARG HA H 26 4.200 4.714 -0.514 1 1 40 . 13 1 1 A 3 3 ARG C C 26 175.100 175.850 -0.750 1 1 41 . 13 1 1 A 3 3 ARG CA C 26 55.600 54.168 1.432 1 1 42 . 13 1 1 A 3 3 ARG CB C 26 31.300 32.698 -1.398 1 1 45 . 13 1 1 A 3 3 ARG N N 26 125.000 119.051 5.949 1 1 47 . 13 1 1 A 4 4 ALA H H 27 8.260 8.795 -0.535 1 1 48 . 13 1 1 A 4 4 ALA HA H 27 4.090 3.936 0.154 1 1 52 . 13 1 1 A 4 4 ALA C C 27 177.300 177.073 0.227 1 1 53 . 13 1 1 A 4 4 ALA CA C 27 52.800 54.296 -1.496 1 1 54 . 13 1 1 A 4 4 ALA CB C 27 19.200 17.698 1.502 1 1 55 . 13 1 1 A 4 4 ALA N N 27 125.400 122.460 2.940 1 1 56 . 13 1 1 A 5 5 ASP H H 28 8.260 8.652 -0.392 1 1 57 . 13 1 1 A 5 5 ASP HA H 28 4.470 4.885 -0.415 1 1 60 . 13 1 1 A 5 5 ASP C C 28 176.200 175.595 0.605 1 1 61 . 13 1 1 A 5 5 ASP CA C 28 54.500 55.698 -1.198 1 1 62 . 13 1 1 A 5 5 ASP CB C 28 40.700 43.862 -3.162 1 1 63 . 13 1 1 A 5 5 ASP N N 28 118.200 122.821 -4.621 1 1 64 . 13 1 1 A 6 6 PHE H H 29 7.930 7.563 0.367 1 1 65 . 13 1 1 A 6 6 PHE HA H 29 4.510 4.920 -0.410 1 1 73 . 13 1 1 A 6 6 PHE C C 29 175.700 174.853 0.847 1 1 74 . 13 1 1 A 6 6 PHE CA C 29 58.000 55.089 2.911 1 1 75 . 13 1 1 A 6 6 PHE CB C 29 39.300 40.348 -1.048 1 1 81 . 13 1 1 A 6 6 PHE N N 29 119.400 114.749 4.651 1 1 82 . 13 1 1 A 7 7 LEU H H 30 8.000 8.526 -0.526 1 1 83 . 13 1 1 A 7 7 LEU HA H 30 4.210 4.439 -0.229 1 1 93 . 13 1 1 A 7 7 LEU C C 30 177.400 176.514 0.886 1 1 94 . 13 1 1 A 7 7 LEU CA C 30 55.400 54.150 1.250 1 1 95 . 13 1 1 A 7 7 LEU CB C 30 42.200 41.792 0.408 1 1 99 . 13 1 1 A 7 7 LEU N N 30 122.100 116.583 5.517 1 1 100 . 13 1 1 A 8 8 SER H H 31 8.130 8.511 -0.381 1 1 101 . 13 1 1 A 8 8 SER HA H 31 4.330 4.462 -0.132 1 1 104 . 13 1 1 A 8 8 SER C C 31 174.900 174.360 0.540 1 1 105 . 13 1 1 A 8 8 SER CA C 31 58.800 58.226 0.574 1 1 106 . 13 1 1 A 8 8 SER CB C 31 63.800 64.213 -0.413 1 1 107 . 13 1 1 A 8 8 SER N N 31 116.000 116.439 -0.439 1 1 108 . 13 1 1 A 9 9 GLU H H 32 8.380 9.052 -0.672 1 1 109 . 13 1 1 A 9 9 GLU HA H 32 4.240 3.908 0.332 1 1 114 . 13 1 1 A 9 9 GLU C C 32 176.600 176.451 0.149 1 1 115 . 13 1 1 A 9 9 GLU CA C 32 57.000 57.227 -0.227 1 1 116 . 13 1 1 A 9 9 GLU CB C 32 30.000 27.821 2.179 1 1 118 . 13 1 1 A 9 9 GLU N N 32 122.200 116.655 5.545 1 1 119 . 13 1 1 A 10 10 LEU H H 33 7.990 7.930 0.060 1 1 120 . 13 1 1 A 10 10 LEU HA H 33 4.220 4.062 0.158 1 1 130 . 13 1 1 A 10 10 LEU C C 33 177.100 176.224 0.876 1 1 131 . 13 1 1 A 10 10 LEU CA C 33 55.500 57.717 -2.217 1 1 132 . 13 1 1 A 10 10 LEU CB C 33 42.200 42.116 0.084 1 1 136 . 13 1 1 A 10 10 LEU N N 33 121.200 121.157 0.043 1 1 137 . 13 1 1 A 11 11 ASP H H 34 8.090 8.017 0.073 1 1 138 . 13 1 1 A 11 11 ASP HA H 34 4.550 4.229 0.321 1 1 141 . 13 1 1 A 11 11 ASP C C 34 175.400 175.666 -0.266 1 1 142 . 13 1 1 A 11 11 ASP CA C 34 54.200 55.264 -1.064 1 1 143 . 13 1 1 A 11 11 ASP CB C 34 41.300 39.002 2.298 1 1 144 . 13 1 1 A 11 11 ASP N N 34 120.000 118.322 1.678 1 1 145 . 13 1 1 A 12 12 ALA H H 35 7.950 7.596 0.354 1 1 146 . 13 1 1 A 12 12 ALA HA H 35 4.510 4.270 0.240 1 1 150 . 13 1 1 A 12 12 ALA CA C 35 50.800 51.324 -0.524 1 1 151 . 13 1 1 A 12 12 ALA CB C 35 18.300 19.180 -0.880 1 1 152 . 13 1 1 A 12 12 ALA N N 35 124.600 120.081 4.519 1 1 153 . 13 1 1 A 13 13 PRO HA H 36 4.360 4.748 -0.388 1 1 160 . 13 1 1 A 13 13 PRO C C 36 176.900 176.617 0.283 1 1 161 . 13 1 1 A 13 13 PRO CA C 36 63.200 63.017 0.183 1 1 162 . 13 1 1 A 13 13 PRO CB C 36 32.000 33.001 -1.001 1 1 165 . 13 1 1 A 14 14 ALA H H 37 8.390 8.541 -0.151 1 1 166 . 13 1 1 A 14 14 ALA HA H 37 4.230 4.591 -0.361 1 1 170 . 13 1 1 A 14 14 ALA C C 37 177.900 177.808 0.092 1 1 171 . 13 1 1 A 14 14 ALA CA C 37 52.600 52.421 0.179 1 1 172 . 13 1 1 A 14 14 ALA CB C 37 19.300 21.351 -2.051 1 1 173 . 13 1 1 A 14 14 ALA N N 37 123.900 121.295 2.605 1 1 174 . 13 1 1 A 15 15 GLN H H 38 8.330 8.117 0.213 1 1 175 . 13 1 1 A 15 15 GLN HA H 38 4.280 4.281 -0.001 1 1 182 . 13 1 1 A 15 15 GLN C C 38 175.800 177.742 -1.942 1 1 183 . 13 1 1 A 15 15 GLN CA C 38 55.700 56.158 -0.458 1 1 184 . 13 1 1 A 15 15 GLN CB C 38 29.600 28.960 0.640 1 1 187 . 13 1 1 A 15 15 GLN N N 38 119.300 116.096 3.204 1 1 189 . 13 1 1 A 16 16 ALA H H 39 8.410 7.840 0.570 1 1 190 . 13 1 1 A 16 16 ALA HA H 39 4.070 4.221 -0.151 1 1 194 . 13 1 1 A 16 16 ALA C C 39 178.200 178.773 -0.573 1 1 195 . 13 1 1 A 16 16 ALA CA C 39 52.800 53.614 -0.814 1 1 196 . 13 1 1 A 16 16 ALA CB C 39 19.300 18.358 0.942 1 1 197 . 13 1 1 A 16 16 ALA N N 39 125.600 122.353 3.247 1 1 198 . 13 1 1 A 17 17 GLY H H 40 8.510 8.373 0.137 1 1 199 . 13 1 1 A 17 17 GLY HA2 H 40 4.010 3.952 0.058 1 1 200 . 13 1 1 A 17 17 GLY HA3 H 40 4.010 3.952 0.058 1 1 201 . 13 1 1 A 17 17 GLY C C 40 174.600 174.319 0.281 1 1 202 . 13 1 1 A 17 17 GLY CA C 40 45.400 45.652 -0.252 1 1 203 . 13 1 1 A 17 17 GLY N N 40 108.500 107.086 1.414 1 1 204 . 13 1 1 A 18 18 THR H H 41 8.020 7.185 0.835 1 1 205 . 13 1 1 A 18 18 THR HA H 41 4.320 4.141 0.179 1 1 210 . 13 1 1 A 18 18 THR C C 41 174.900 175.857 -0.957 1 1 211 . 13 1 1 A 18 18 THR CA C 41 62.100 63.298 -1.198 1 1 212 . 13 1 1 A 18 18 THR CB C 41 69.900 69.290 0.610 1 1 214 . 13 1 1 A 18 18 THR N N 41 112.900 115.260 -2.360 1 1 215 . 13 1 1 A 19 19 GLU H H 42 8.630 8.896 -0.266 1 1 216 . 13 1 1 A 19 19 GLU HA H 42 4.300 4.071 0.229 1 1 221 . 13 1 1 A 19 19 GLU C C 42 176.600 176.822 -0.222 1 1 222 . 13 1 1 A 19 19 GLU CA C 42 56.900 58.447 -1.547 1 1 223 . 13 1 1 A 19 19 GLU CB C 42 30.000 28.815 1.185 1 1 225 . 13 1 1 A 19 19 GLU N N 42 123.000 124.518 -1.518 1 1 226 . 13 1 1 A 20 20 SER H H 43 8.330 7.974 0.356 1 1 227 . 13 1 1 A 20 20 SER HA H 43 4.400 4.446 -0.046 1 1 230 . 13 1 1 A 20 20 SER C C 43 174.300 175.200 -0.900 1 1 231 . 13 1 1 A 20 20 SER CA C 43 58.500 59.583 -1.083 1 1 232 . 13 1 1 A 20 20 SER CB C 43 63.900 63.271 0.629 1 1 233 . 13 1 1 A 20 20 SER N N 43 116.600 112.975 3.625 1 1 234 . 13 1 1 A 21 21 ALA H H 44 8.320 7.566 0.754 1 1 235 . 13 1 1 A 21 21 ALA HA H 44 4.300 4.236 0.064 1 1 239 . 13 1 1 A 21 21 ALA C C 44 177.700 178.085 -0.385 1 1 240 . 13 1 1 A 21 21 ALA CA C 44 52.700 53.046 -0.346 1 1 241 . 13 1 1 A 21 21 ALA CB C 44 19.300 19.510 -0.210 1 1 242 . 13 1 1 A 21 21 ALA N N 44 126.000 123.061 2.939 1 1 243 . 13 1 1 A 22 22 VAL H H 45 8.040 7.475 0.565 1 1 244 . 13 1 1 A 22 22 VAL HA H 45 4.100 4.168 -0.068 1 1 252 . 13 1 1 A 22 22 VAL C C 45 176.100 175.762 0.338 1 1 253 . 13 1 1 A 22 22 VAL CA C 45 62.300 63.527 -1.227 1 1 254 . 13 1 1 A 22 22 VAL CB C 45 32.700 32.275 0.425 1 1 257 . 13 1 1 A 22 22 VAL N N 45 118.100 115.480 2.620 1 1 258 . 13 1 1 A 23 23 SER H H 46 8.370 7.731 0.639 1 1 259 . 13 1 1 A 23 23 SER HA H 46 4.410 4.241 0.169 1 1 262 . 13 1 1 A 23 23 SER C C 46 174.900 174.979 -0.079 1 1 263 . 13 1 1 A 23 23 SER CA C 46 58.500 59.794 -1.294 1 1 264 . 13 1 1 A 23 23 SER CB C 46 63.900 63.435 0.465 1 1 265 . 13 1 1 A 23 23 SER N N 46 119.100 117.707 1.393 1 1 266 . 13 1 1 A 24 24 GLY H H 47 8.370 8.590 -0.220 1 1 267 . 13 1 1 A 24 24 GLY HA2 H 47 3.950 4.016 -0.066 1 1 268 . 13 1 1 A 24 24 GLY HA3 H 47 3.950 4.018 -0.068 1 1 269 . 13 1 1 A 24 24 GLY C C 47 174.200 174.137 0.063 1 1 270 . 13 1 1 A 24 24 GLY CA C 47 45.400 44.926 0.474 1 1 271 . 13 1 1 A 24 24 GLY N N 47 110.500 114.724 -4.224 1 1 272 . 13 1 1 A 25 25 VAL H H 48 7.980 8.665 -0.685 1 1 273 . 13 1 1 A 25 25 VAL HA H 48 4.040 3.872 0.168 1 1 281 . 13 1 1 A 25 25 VAL C C 48 176.100 174.423 1.677 1 1 282 . 13 1 1 A 25 25 VAL CA C 48 62.200 62.627 -0.427 1 1 283 . 13 1 1 A 25 25 VAL CB C 48 32.500 30.328 2.172 1 1 286 . 13 1 1 A 25 25 VAL N N 48 118.100 118.632 -0.532 1 1 287 . 13 1 1 A 26 26 GLU H H 49 8.580 8.053 0.527 1 1 288 . 13 1 1 A 26 26 GLU HA H 49 4.160 4.626 -0.466 1 1 293 . 13 1 1 A 26 26 GLU C C 49 176.900 175.794 1.106 1 1 294 . 13 1 1 A 26 26 GLU CA C 49 57.400 55.400 2.000 1 1 295 . 13 1 1 A 26 26 GLU CB C 49 29.800 31.253 -1.453 1 1 297 . 13 1 1 A 26 26 GLU N N 49 123.900 125.002 -1.102 1 1 298 . 13 1 1 A 27 27 GLY H H 50 8.330 8.526 -0.196 1 1 299 . 13 1 1 A 27 27 GLY HA2 H 50 3.890 4.130 -0.240 1 1 300 . 13 1 1 A 27 27 GLY HA3 H 50 3.830 4.132 -0.302 1 1 301 . 13 1 1 A 27 27 GLY C C 50 173.800 172.125 1.675 1 1 302 . 13 1 1 A 27 27 GLY CA C 50 45.200 44.509 0.691 1 1 303 . 13 1 1 A 27 27 GLY N N 50 109.500 115.447 -5.947 1 1 304 . 13 1 1 A 28 28 LEU H H 51 7.770 8.353 -0.583 1 1 305 . 13 1 1 A 28 28 LEU HA H 51 4.470 4.742 -0.272 1 1 315 . 13 1 1 A 28 28 LEU CA C 51 52.800 52.751 0.049 1 1 316 . 13 1 1 A 28 28 LEU CB C 51 42.200 42.392 -0.192 1 1 320 . 13 1 1 A 28 28 LEU N N 51 123.000 121.366 1.634 1 1 321 . 13 1 1 A 29 29 PRO HA H 52 4.660 4.349 0.311 1 1 328 . 13 1 1 A 29 29 PRO CA C 52 61.600 65.018 -3.418 1 1 329 . 13 1 1 A 29 29 PRO CB C 52 30.800 31.754 -0.954 1 1 332 . 13 1 1 A 30 30 PRO HA H 53 4.340 4.591 -0.251 1 1 339 . 13 1 1 A 30 30 PRO C C 53 177.500 176.323 1.177 1 1 340 . 13 1 1 A 30 30 PRO CA C 53 63.500 62.344 1.156 1 1 341 . 13 1 1 A 30 30 PRO CB C 53 32.000 32.330 -0.330 1 1 344 . 13 1 1 A 31 31 GLY H H 54 8.690 8.538 0.152 1 1 345 . 13 1 1 A 31 31 GLY HA2 H 54 4.060 3.902 0.158 1 1 346 . 13 1 1 A 31 31 GLY HA3 H 54 3.660 3.921 -0.261 1 1 347 . 13 1 1 A 31 31 GLY C C 54 172.900 173.439 -0.539 1 1 348 . 13 1 1 A 31 31 GLY CA C 54 45.400 46.410 -1.010 1 1 349 . 13 1 1 A 31 31 GLY N N 54 110.100 108.504 1.596 1 1 350 . 13 1 1 A 32 32 LEU H H 55 7.510 8.496 -0.986 1 1 351 . 13 1 1 A 32 32 LEU HA H 55 4.960 5.255 -0.295 1 1 361 . 13 1 1 A 32 32 LEU C C 55 175.400 175.090 0.310 1 1 362 . 13 1 1 A 32 32 LEU CA C 55 54.100 53.373 0.727 1 1 363 . 13 1 1 A 32 32 LEU CB C 55 44.400 46.887 -2.487 1 1 367 . 13 1 1 A 32 32 LEU N N 55 119.300 125.328 -6.028 1 1 368 . 13 1 1 A 33 33 ALA H H 56 7.840 8.440 -0.600 1 1 369 . 13 1 1 A 33 33 ALA HA H 56 4.500 4.797 -0.297 1 1 373 . 13 1 1 A 33 33 ALA C C 56 178.200 175.608 2.592 1 1 374 . 13 1 1 A 33 33 ALA CA C 56 51.100 50.616 0.484 1 1 375 . 13 1 1 A 33 33 ALA CB C 56 23.900 23.282 0.618 1 1 376 . 13 1 1 A 33 33 ALA N N 56 121.800 121.346 0.454 1 1 377 . 13 1 1 A 34 34 LEU H H 57 8.640 7.937 0.703 1 1 378 . 13 1 1 A 34 34 LEU HA H 57 4.930 5.210 -0.280 1 1 388 . 13 1 1 A 34 34 LEU C C 57 174.400 174.862 -0.462 1 1 389 . 13 1 1 A 34 34 LEU CA C 57 53.400 53.011 0.389 1 1 390 . 13 1 1 A 34 34 LEU CB C 57 47.300 45.962 1.338 1 1 394 . 13 1 1 A 34 34 LEU N N 57 119.200 116.009 3.191 1 1 395 . 13 1 1 A 35 35 LEU H H 58 8.640 8.732 -0.092 1 1 396 . 13 1 1 A 35 35 LEU HA H 58 5.440 5.301 0.139 1 1 406 . 13 1 1 A 35 35 LEU C C 58 176.200 175.832 0.368 1 1 407 . 13 1 1 A 35 35 LEU CA C 58 52.600 53.758 -1.158 1 1 408 . 13 1 1 A 35 35 LEU CB C 58 46.000 45.478 0.522 1 1 412 . 13 1 1 A 35 35 LEU N N 58 119.400 119.980 -0.580 1 1 413 . 13 1 1 A 36 36 VAL H H 59 8.960 8.737 0.223 1 1 414 . 13 1 1 A 36 36 VAL HA H 59 4.860 4.596 0.264 1 1 422 . 13 1 1 A 36 36 VAL C C 59 176.400 174.816 1.584 1 1 423 . 13 1 1 A 36 36 VAL CA C 59 59.900 60.298 -0.398 1 1 424 . 13 1 1 A 36 36 VAL CB C 59 34.600 35.476 -0.876 1 1 427 . 13 1 1 A 36 36 VAL N N 59 120.700 123.017 -2.317 1 1 428 . 13 1 1 A 37 37 VAL H H 60 8.830 8.628 0.202 1 1 429 . 13 1 1 A 37 37 VAL HA H 60 4.170 4.073 0.097 1 1 437 . 13 1 1 A 37 37 VAL C C 60 176.000 175.552 0.448 1 1 438 . 13 1 1 A 37 37 VAL CA C 60 63.900 63.642 0.258 1 1 439 . 13 1 1 A 37 37 VAL CB C 60 31.400 31.794 -0.394 1 1 442 . 13 1 1 A 37 37 VAL N N 60 125.700 126.871 -1.171 1 1 443 . 13 1 1 A 38 38 LYS H H 61 9.400 8.520 0.880 1 1 444 . 13 1 1 A 38 38 LYS HA H 61 4.450 4.352 0.098 1 1 453 . 13 1 1 A 38 38 LYS C C 61 176.000 176.323 -0.323 1 1 454 . 13 1 1 A 38 38 LYS CA C 61 56.900 58.233 -1.333 1 1 455 . 13 1 1 A 38 38 LYS CB C 61 34.200 32.844 1.356 1 1 459 . 13 1 1 A 38 38 LYS N N 61 131.900 127.296 4.604 1 1 460 . 13 1 1 A 39 39 ARG H H 62 7.990 7.981 0.009 1 1 461 . 13 1 1 A 39 39 ARG HA H 62 4.700 4.950 -0.250 1 1 469 . 13 1 1 A 39 39 ARG C C 62 173.600 175.019 -1.419 1 1 470 . 13 1 1 A 39 39 ARG CA C 62 55.100 54.607 0.493 1 1 471 . 13 1 1 A 39 39 ARG CB C 62 34.100 33.188 0.912 1 1 474 . 13 1 1 A 39 39 ARG N N 62 117.300 117.967 -0.667 1 1 476 . 13 1 1 A 40 40 GLY H H 63 8.480 8.422 0.058 1 1 477 . 13 1 1 A 40 40 GLY HA2 H 63 4.290 4.216 0.074 1 1 478 . 13 1 1 A 40 40 GLY HA3 H 63 3.580 4.298 -0.718 1 1 479 . 13 1 1 A 40 40 GLY CA C 63 43.800 44.768 -0.968 1 1 480 . 13 1 1 A 40 40 GLY N N 63 110.800 112.491 -1.691 1 1 481 . 13 1 1 A 41 41 PRO HA H 64 4.300 4.433 -0.133 1 1 488 . 13 1 1 A 41 41 PRO C C 64 175.900 177.131 -1.231 1 1 489 . 13 1 1 A 41 41 PRO CA C 64 64.400 64.635 -0.235 1 1 490 . 13 1 1 A 41 41 PRO CB C 64 31.500 31.953 -0.453 1 1 493 . 13 1 1 A 42 42 ASN H H 65 8.310 7.937 0.373 1 1 494 . 13 1 1 A 42 42 ASN HA H 65 4.770 4.929 -0.159 1 1 499 . 13 1 1 A 42 42 ASN C C 65 177.500 174.412 3.088 1 1 500 . 13 1 1 A 42 42 ASN CA C 65 52.100 52.513 -0.413 1 1 501 . 13 1 1 A 42 42 ASN CB C 65 36.700 38.619 -1.919 1 1 503 . 13 1 1 A 42 42 ASN N N 65 114.500 116.999 -2.499 1 1 505 . 13 1 1 A 43 43 ALA H H 66 7.470 7.358 0.112 1 1 506 . 13 1 1 A 43 43 ALA HA H 66 3.690 4.110 -0.420 1 1 510 . 13 1 1 A 43 43 ALA C C 66 177.800 178.418 -0.618 1 1 511 . 13 1 1 A 43 43 ALA CA C 66 54.200 53.709 0.491 1 1 512 . 13 1 1 A 43 43 ALA CB C 66 17.700 18.761 -1.061 1 1 513 . 13 1 1 A 43 43 ALA N N 66 122.100 122.175 -0.075 1 1 514 . 13 1 1 A 44 44 GLY H H 67 9.120 8.911 0.209 1 1 515 . 13 1 1 A 44 44 GLY HA2 H 67 4.440 4.004 0.436 1 1 516 . 13 1 1 A 44 44 GLY HA3 H 67 3.490 4.007 -0.517 1 1 517 . 13 1 1 A 44 44 GLY C C 67 174.900 174.420 0.480 1 1 518 . 13 1 1 A 44 44 GLY CA C 67 44.600 44.936 -0.336 1 1 519 . 13 1 1 A 44 44 GLY N N 67 111.800 110.523 1.277 1 1 520 . 13 1 1 A 45 45 SER H H 68 8.090 7.961 0.129 1 1 521 . 13 1 1 A 45 45 SER HA H 68 4.280 4.366 -0.086 1 1 524 . 13 1 1 A 45 45 SER C C 68 171.500 173.801 -2.301 1 1 525 . 13 1 1 A 45 45 SER CA C 68 60.500 59.114 1.386 1 1 526 . 13 1 1 A 45 45 SER CB C 68 63.800 63.793 0.007 1 1 527 . 13 1 1 A 45 45 SER N N 68 117.400 117.623 -0.223 1 1 528 . 13 1 1 A 46 46 ARG H H 69 8.120 8.628 -0.508 1 1 529 . 13 1 1 A 46 46 ARG HA H 69 5.140 5.113 0.027 1 1 537 . 13 1 1 A 46 46 ARG C C 69 174.600 173.427 1.173 1 1 538 . 13 1 1 A 46 46 ARG CA C 69 54.200 54.105 0.095 1 1 539 . 13 1 1 A 46 46 ARG CB C 69 33.900 33.851 0.049 1 1 542 . 13 1 1 A 46 46 ARG N N 69 119.800 120.582 -0.782 1 1 544 . 13 1 1 A 47 47 PHE H H 70 9.180 8.737 0.443 1 1 545 . 13 1 1 A 47 47 PHE HA H 70 4.720 5.146 -0.426 1 1 553 . 13 1 1 A 47 47 PHE C C 70 173.900 174.307 -0.407 1 1 554 . 13 1 1 A 47 47 PHE CA C 70 56.400 56.082 0.318 1 1 555 . 13 1 1 A 47 47 PHE CB C 70 41.500 41.818 -0.318 1 1 561 . 13 1 1 A 47 47 PHE N N 70 120.800 119.021 1.779 1 1 562 . 13 1 1 A 48 48 LEU H H 71 8.720 8.994 -0.274 1 1 563 . 13 1 1 A 48 48 LEU HA H 71 4.450 4.898 -0.448 1 1 573 . 13 1 1 A 48 48 LEU C C 71 176.300 174.842 1.458 1 1 574 . 13 1 1 A 48 48 LEU CA C 71 54.900 53.960 0.940 1 1 575 . 13 1 1 A 48 48 LEU CB C 71 43.200 44.534 -1.334 1 1 579 . 13 1 1 A 48 48 LEU N N 71 125.300 125.676 -0.376 1 1 580 . 13 1 1 A 49 49 LEU H H 72 8.730 9.122 -0.392 1 1 581 . 13 1 1 A 49 49 LEU HA H 72 4.770 4.888 -0.118 1 1 591 . 13 1 1 A 49 49 LEU C C 72 174.800 176.031 -1.231 1 1 592 . 13 1 1 A 49 49 LEU CA C 72 53.200 53.910 -0.710 1 1 593 . 13 1 1 A 49 49 LEU CB C 72 40.900 43.188 -2.288 1 1 597 . 13 1 1 A 49 49 LEU N N 72 126.900 127.987 -1.087 1 1 598 . 13 1 1 A 50 50 ASP H H 73 8.350 8.600 -0.250 1 1 599 . 13 1 1 A 50 50 ASP HA H 73 4.790 5.080 -0.290 1 1 602 . 13 1 1 A 50 50 ASP C C 73 175.600 174.548 1.052 1 1 603 . 13 1 1 A 50 50 ASP CA C 73 53.000 53.261 -0.261 1 1 604 . 13 1 1 A 50 50 ASP CB C 73 41.400 41.451 -0.051 1 1 605 . 13 1 1 A 50 50 ASP N N 73 120.400 124.826 -4.426 1 1 606 . 13 1 1 A 51 51 GLN H H 74 7.670 7.584 0.086 1 1 607 . 13 1 1 A 51 51 GLN HA H 74 4.660 4.808 -0.148 1 1 614 . 13 1 1 A 51 51 GLN C C 74 175.400 175.855 -0.455 1 1 615 . 13 1 1 A 51 51 GLN CA C 74 53.700 54.141 -0.441 1 1 616 . 13 1 1 A 51 51 GLN CB C 74 31.300 32.537 -1.237 1 1 619 . 13 1 1 A 51 51 GLN N N 74 116.200 119.485 -3.285 1 1 621 . 13 1 1 A 52 52 ALA H H 75 8.720 8.571 0.149 1 1 622 . 13 1 1 A 52 52 ALA HA H 75 4.170 4.151 0.019 1 1 626 . 13 1 1 A 52 52 ALA C C 75 178.300 177.707 0.593 1 1 627 . 13 1 1 A 52 52 ALA CA C 75 55.700 54.646 1.054 1 1 628 . 13 1 1 A 52 52 ALA CB C 75 18.500 19.318 -0.818 1 1 629 . 13 1 1 A 52 52 ALA N N 75 123.200 123.418 -0.218 1 1 630 . 13 1 1 A 53 53 ILE H H 76 8.030 7.946 0.084 1 1 631 . 13 1 1 A 53 53 ILE HA H 76 4.650 4.748 -0.098 1 1 641 . 13 1 1 A 53 53 ILE C C 76 175.100 174.530 0.570 1 1 642 . 13 1 1 A 53 53 ILE CA C 76 61.100 60.248 0.852 1 1 643 . 13 1 1 A 53 53 ILE CB C 76 40.500 41.412 -0.912 1 1 647 . 13 1 1 A 53 53 ILE N N 76 115.400 116.981 -1.581 1 1 648 . 13 1 1 A 54 54 THR H H 77 8.840 8.978 -0.138 1 1 649 . 13 1 1 A 54 54 THR HA H 77 4.940 4.986 -0.046 1 1 654 . 13 1 1 A 54 54 THR C C 77 174.600 174.007 0.593 1 1 655 . 13 1 1 A 54 54 THR CA C 77 61.400 61.598 -0.198 1 1 656 . 13 1 1 A 54 54 THR CB C 77 70.300 70.285 0.015 1 1 658 . 13 1 1 A 54 54 THR N N 77 125.300 125.495 -0.195 1 1 659 . 13 1 1 A 55 55 SER H H 78 10.690 8.970 1.720 1 1 660 . 13 1 1 A 55 55 SER HA H 78 4.720 4.847 -0.127 1 1 663 . 13 1 1 A 55 55 SER C C 78 172.600 174.053 -1.453 1 1 664 . 13 1 1 A 55 55 SER CA C 78 57.800 57.991 -0.191 1 1 665 . 13 1 1 A 55 55 SER CB C 78 65.200 64.212 0.988 1 1 666 . 13 1 1 A 55 55 SER N N 78 126.300 123.309 2.991 1 1 667 . 13 1 1 A 56 56 ALA H H 79 8.840 8.128 0.712 1 1 668 . 13 1 1 A 56 56 ALA HA H 79 5.720 4.657 1.063 1 1 672 . 13 1 1 A 56 56 ALA C C 79 175.800 178.048 -2.248 1 1 673 . 13 1 1 A 56 56 ALA CA C 79 49.800 51.227 -1.427 1 1 674 . 13 1 1 A 56 56 ALA CB C 79 21.900 20.966 0.934 1 1 675 . 13 1 1 A 56 56 ALA N N 79 123.200 125.888 -2.688 1 1 676 . 13 1 1 A 57 57 GLY H H 80 8.410 8.541 -0.131 1 1 677 . 13 1 1 A 57 57 GLY HA2 H 80 4.400 3.765 0.635 1 1 678 . 13 1 1 A 57 57 GLY HA3 H 80 3.970 3.860 0.110 1 1 679 . 13 1 1 A 57 57 GLY C C 80 174.800 173.500 1.300 1 1 680 . 13 1 1 A 57 57 GLY CA C 80 46.300 47.254 -0.954 1 1 681 . 13 1 1 A 57 57 GLY N N 80 108.700 107.368 1.332 1 1 682 . 13 1 1 A 58 58 ARG H H 81 8.330 8.539 -0.209 1 1 683 . 13 1 1 A 58 58 ARG HA H 81 4.440 4.994 -0.554 1 1 690 . 13 1 1 A 58 58 ARG C C 81 176.400 174.707 1.693 1 1 691 . 13 1 1 A 58 58 ARG CA C 81 54.700 55.028 -0.328 1 1 692 . 13 1 1 A 58 58 ARG CB C 81 32.300 32.656 -0.356 1 1 695 . 13 1 1 A 58 58 ARG N N 81 120.400 124.803 -4.403 1 1 696 . 13 1 1 A 59 59 HIS H H 82 9.040 8.754 0.286 1 1 697 . 13 1 1 A 59 59 HIS HA H 82 4.280 5.010 -0.730 1 1 702 . 13 1 1 A 59 59 HIS CA C 82 56.800 54.007 2.793 1 1 703 . 13 1 1 A 59 59 HIS CB C 82 30.900 33.424 -2.524 1 1 705 . 13 1 1 A 59 59 HIS N N 82 124.300 123.206 1.094 1 1 708 . 13 1 1 A 60 60 PRO HA H 83 3.640 4.300 -0.660 1 1 715 . 13 1 1 A 60 60 PRO C C 83 177.000 176.639 0.361 1 1 716 . 13 1 1 A 60 60 PRO CA C 83 64.800 63.752 1.048 1 1 717 . 13 1 1 A 60 60 PRO CB C 83 31.700 32.091 -0.391 1 1 720 . 13 1 1 A 61 61 ASP H H 84 11.140 8.864 2.276 1 1 721 . 13 1 1 A 61 61 ASP HA H 84 4.700 4.173 0.527 1 1 724 . 13 1 1 A 61 61 ASP C C 84 177.400 174.501 2.899 1 1 725 . 13 1 1 A 61 61 ASP CA C 84 53.900 54.923 -1.023 1 1 726 . 13 1 1 A 61 61 ASP CB C 84 40.500 39.876 0.624 1 1 727 . 13 1 1 A 61 61 ASP N N 84 121.600 117.641 3.959 1 1 728 . 13 1 1 A 62 62 SER H H 85 8.190 7.761 0.429 1 1 729 . 13 1 1 A 62 62 SER HA H 85 4.030 4.700 -0.670 1 1 733 . 13 1 1 A 62 62 SER C C 85 173.400 175.034 -1.634 1 1 734 . 13 1 1 A 62 62 SER CA C 85 60.400 56.819 3.581 1 1 735 . 13 1 1 A 62 62 SER CB C 85 65.200 64.486 0.714 1 1 736 . 13 1 1 A 62 62 SER N N 85 118.100 113.289 4.811 1 1 737 . 13 1 1 A 63 63 ASP H H 86 8.270 8.860 -0.590 1 1 738 . 13 1 1 A 63 63 ASP HA H 86 4.390 4.524 -0.134 1 1 741 . 13 1 1 A 63 63 ASP C C 86 177.200 177.182 0.018 1 1 742 . 13 1 1 A 63 63 ASP CA C 86 58.300 57.585 0.715 1 1 743 . 13 1 1 A 63 63 ASP CB C 86 42.100 41.334 0.766 1 1 744 . 13 1 1 A 63 63 ASP N N 86 125.600 126.292 -0.692 1 1 745 . 13 1 1 A 64 64 ILE H H 87 8.470 7.691 0.779 1 1 746 . 13 1 1 A 64 64 ILE HA H 87 3.560 2.996 0.564 1 1 756 . 13 1 1 A 64 64 ILE C C 87 172.900 174.909 -2.009 1 1 757 . 13 1 1 A 64 64 ILE CA C 87 60.500 60.738 -0.238 1 1 758 . 13 1 1 A 64 64 ILE CB C 87 37.400 38.064 -0.664 1 1 762 . 13 1 1 A 64 64 ILE N N 87 119.500 119.337 0.163 1 1 763 . 13 1 1 A 65 65 PHE H H 88 8.100 8.374 -0.274 1 1 764 . 13 1 1 A 65 65 PHE HA H 88 5.010 5.084 -0.074 1 1 772 . 13 1 1 A 65 65 PHE C C 88 174.000 173.724 0.276 1 1 773 . 13 1 1 A 65 65 PHE CA C 88 55.600 55.950 -0.350 1 1 774 . 13 1 1 A 65 65 PHE CB C 88 38.800 40.316 -1.516 1 1 779 . 13 1 1 A 65 65 PHE N N 88 127.100 128.212 -1.112 1 1 780 . 13 1 1 A 66 66 LEU H H 89 7.710 8.035 -0.325 1 1 781 . 13 1 1 A 66 66 LEU HA H 89 3.620 4.423 -0.803 1 1 791 . 13 1 1 A 66 66 LEU C C 89 173.500 174.061 -0.561 1 1 792 . 13 1 1 A 66 66 LEU CA C 89 52.100 53.417 -1.317 1 1 793 . 13 1 1 A 66 66 LEU CB C 89 41.300 41.925 -0.625 1 1 797 . 13 1 1 A 66 66 LEU N N 89 131.900 128.448 3.452 1 1 798 . 13 1 1 A 67 67 ASP H H 90 7.980 8.576 -0.596 1 1 799 . 13 1 1 A 67 67 ASP HA H 90 4.260 4.804 -0.544 1 1 802 . 13 1 1 A 67 67 ASP C C 90 174.800 174.687 0.113 1 1 803 . 13 1 1 A 67 67 ASP CA C 90 53.100 52.828 0.272 1 1 804 . 13 1 1 A 67 67 ASP CB C 90 39.900 41.533 -1.633 1 1 805 . 13 1 1 A 67 67 ASP N N 90 120.000 125.946 -5.946 1 1 806 . 13 1 1 A 68 68 ASP H H 91 7.480 8.420 -0.940 1 1 807 . 13 1 1 A 68 68 ASP HA H 91 4.850 5.086 -0.236 1 1 810 . 13 1 1 A 68 68 ASP C C 91 175.600 175.336 0.264 1 1 811 . 13 1 1 A 68 68 ASP CA C 91 54.900 53.417 1.483 1 1 812 . 13 1 1 A 68 68 ASP CB C 91 48.500 44.054 4.446 1 1 813 . 13 1 1 A 68 68 ASP N N 91 121.400 124.879 -3.479 1 1 814 . 13 1 1 A 69 69 VAL H H 92 8.370 9.078 -0.708 1 1 815 . 13 1 1 A 69 69 VAL HA H 92 4.060 3.649 0.411 1 1 823 . 13 1 1 A 69 69 VAL C C 92 175.900 177.605 -1.705 1 1 824 . 13 1 1 A 69 69 VAL CA C 92 64.800 66.167 -1.367 1 1 825 . 13 1 1 A 69 69 VAL CB C 92 31.700 31.771 -0.071 1 1 828 . 13 1 1 A 69 69 VAL N N 92 121.900 124.346 -2.446 1 1 829 . 13 1 1 A 70 70 THR H H 93 8.360 7.602 0.758 1 1 830 . 13 1 1 A 70 70 THR HA H 93 4.060 4.162 -0.102 1 1 836 . 13 1 1 A 70 70 THR C C 93 175.100 174.794 0.306 1 1 837 . 13 1 1 A 70 70 THR CA C 93 63.700 65.245 -1.545 1 1 838 . 13 1 1 A 70 70 THR CB C 93 70.300 68.954 1.346 1 1 840 . 13 1 1 A 70 70 THR N N 93 111.100 112.195 -1.095 1 1 841 . 13 1 1 A 71 71 VAL H H 94 8.240 7.647 0.593 1 1 842 . 13 1 1 A 71 71 VAL HA H 94 4.520 4.013 0.507 1 1 850 . 13 1 1 A 71 71 VAL C C 94 176.800 174.835 1.965 1 1 851 . 13 1 1 A 71 71 VAL CA C 94 61.200 61.490 -0.290 1 1 852 . 13 1 1 A 71 71 VAL CB C 94 33.500 31.843 1.657 1 1 855 . 13 1 1 A 71 71 VAL N N 94 125.500 124.388 1.112 1 1 856 . 13 1 1 A 72 72 SER H H 95 11.410 8.789 2.621 1 1 857 . 13 1 1 A 72 72 SER HA H 95 4.670 4.575 0.095 1 1 860 . 13 1 1 A 72 72 SER C C 95 174.500 175.746 -1.246 1 1 861 . 13 1 1 A 72 72 SER CA C 95 60.600 57.933 2.667 1 1 862 . 13 1 1 A 72 72 SER CB C 95 64.200 64.493 -0.293 1 1 863 . 13 1 1 A 72 72 SER N N 95 126.800 122.771 4.029 1 1 864 . 13 1 1 A 73 73 ARG H H 96 9.260 8.703 0.557 1 1 865 . 13 1 1 A 73 73 ARG HA H 96 3.770 4.019 -0.249 1 1 873 . 13 1 1 A 73 73 ARG C C 96 176.600 176.798 -0.198 1 1 874 . 13 1 1 A 73 73 ARG CA C 96 61.300 59.279 2.021 1 1 875 . 13 1 1 A 73 73 ARG CB C 96 29.800 30.361 -0.561 1 1 878 . 13 1 1 A 73 73 ARG N N 96 124.600 123.867 0.733 1 1 880 . 13 1 1 A 74 74 ARG H H 97 7.800 7.873 -0.073 1 1 881 . 13 1 1 A 74 74 ARG HA H 97 4.440 4.756 -0.316 1 1 889 . 13 1 1 A 74 74 ARG C C 97 173.100 176.568 -3.468 1 1 890 . 13 1 1 A 74 74 ARG CA C 97 54.800 55.057 -0.257 1 1 891 . 13 1 1 A 74 74 ARG CB C 97 29.300 30.671 -1.371 1 1 894 . 13 1 1 A 74 74 ARG N N 97 114.800 116.667 -1.867 1 1 896 . 13 1 1 A 75 75 HIS H H 98 7.840 7.925 -0.085 1 1 897 . 13 1 1 A 75 75 HIS HA H 98 4.430 4.285 0.145 1 1 903 . 13 1 1 A 75 75 HIS C C 98 173.800 174.453 -0.653 1 1 904 . 13 1 1 A 75 75 HIS CA C 98 57.800 59.748 -1.948 1 1 905 . 13 1 1 A 75 75 HIS CB C 98 35.000 30.400 4.600 1 1 908 . 13 1 1 A 75 75 HIS N N 98 124.400 118.771 5.629 1 1 910 . 13 1 1 A 76 76 ALA H H 99 8.490 7.620 0.870 1 1 911 . 13 1 1 A 76 76 ALA HA H 99 5.580 4.466 1.114 1 1 915 . 13 1 1 A 76 76 ALA C C 99 176.500 174.759 1.741 1 1 916 . 13 1 1 A 76 76 ALA CA C 99 50.300 51.272 -0.972 1 1 917 . 13 1 1 A 76 76 ALA CB C 99 23.200 22.735 0.465 1 1 918 . 13 1 1 A 76 76 ALA N N 99 116.600 118.034 -1.434 1 1 919 . 13 1 1 A 77 77 GLU H H 100 9.030 8.368 0.662 1 1 920 . 13 1 1 A 77 77 GLU HA H 100 5.030 4.892 0.138 1 1 925 . 13 1 1 A 77 77 GLU C C 100 174.100 174.126 -0.026 1 1 926 . 13 1 1 A 77 77 GLU CA C 100 54.500 54.988 -0.488 1 1 927 . 13 1 1 A 77 77 GLU CB C 100 34.900 33.569 1.331 1 1 929 . 13 1 1 A 77 77 GLU N N 100 118.100 120.602 -2.502 1 1 930 . 13 1 1 A 78 78 PHE H H 101 9.400 8.505 0.895 1 1 931 . 13 1 1 A 78 78 PHE HA H 101 5.400 5.445 -0.045 1 1 939 . 13 1 1 A 78 78 PHE C C 101 176.500 175.416 1.084 1 1 940 . 13 1 1 A 78 78 PHE CA C 101 56.700 56.568 0.132 1 1 941 . 13 1 1 A 78 78 PHE CB C 101 41.000 42.532 -1.532 1 1 946 . 13 1 1 A 78 78 PHE N N 101 119.600 123.236 -3.636 1 1 947 . 13 1 1 A 79 79 ARG H H 102 9.720 8.968 0.752 1 1 948 . 13 1 1 A 79 79 ARG HA H 102 5.490 5.163 0.327 1 1 956 . 13 1 1 A 79 79 ARG C C 102 174.300 174.236 0.064 1 1 957 . 13 1 1 A 79 79 ARG CA C 102 54.800 54.325 0.475 1 1 958 . 13 1 1 A 79 79 ARG CB C 102 33.100 34.264 -1.164 1 1 961 . 13 1 1 A 79 79 ARG N N 102 126.100 121.282 4.818 1 1 963 . 13 1 1 A 80 80 LEU H H 103 9.020 8.723 0.297 1 1 964 . 13 1 1 A 80 80 LEU HA H 103 4.400 4.839 -0.439 1 1 974 . 13 1 1 A 80 80 LEU C C 103 176.100 175.424 0.676 1 1 975 . 13 1 1 A 80 80 LEU CA C 103 54.100 54.122 -0.022 1 1 976 . 13 1 1 A 80 80 LEU CB C 103 42.600 43.735 -1.135 1 1 980 . 13 1 1 A 80 80 LEU N N 103 128.000 125.265 2.735 1 1 981 . 13 1 1 A 81 81 GLU H H 104 8.860 8.861 -0.001 1 1 982 . 13 1 1 A 81 81 GLU HA H 104 4.430 4.601 -0.171 1 1 987 . 13 1 1 A 81 81 GLU C C 104 175.800 176.161 -0.361 1 1 988 . 13 1 1 A 81 81 GLU CA C 104 55.500 55.181 0.319 1 1 989 . 13 1 1 A 81 81 GLU CB C 104 32.600 31.622 0.978 1 1 991 . 13 1 1 A 81 81 GLU N N 104 128.600 127.034 1.566 1 1 992 . 13 1 1 A 82 82 ASN H H 105 9.410 9.031 0.379 1 1 993 . 13 1 1 A 82 82 ASN HA H 105 4.200 4.501 -0.301 1 1 998 . 13 1 1 A 82 82 ASN C C 105 174.300 175.121 -0.821 1 1 999 . 13 1 1 A 82 82 ASN CA C 105 54.700 55.703 -1.003 1 1 1000 . 13 1 1 A 82 82 ASN CB C 105 37.200 38.093 -0.893 1 1 1002 . 13 1 1 A 82 82 ASN N N 105 124.600 126.454 -1.854 1 1 1004 . 13 1 1 A 83 83 ASN H H 106 8.640 8.368 0.272 1 1 1005 . 13 1 1 A 83 83 ASN HA H 106 4.010 4.801 -0.791 1 1 1010 . 13 1 1 A 83 83 ASN C C 106 173.100 174.796 -1.696 1 1 1011 . 13 1 1 A 83 83 ASN CA C 106 54.900 52.147 2.753 1 1 1012 . 13 1 1 A 83 83 ASN CB C 106 38.100 39.543 -1.443 1 1 1014 . 13 1 1 A 83 83 ASN N N 106 108.900 117.234 -8.334 1 1 1016 . 13 1 1 A 84 84 GLU H H 107 7.660 8.416 -0.756 1 1 1017 . 13 1 1 A 84 84 GLU HA H 107 4.660 4.851 -0.191 1 1 1022 . 13 1 1 A 84 84 GLU C C 107 174.300 175.528 -1.228 1 1 1023 . 13 1 1 A 84 84 GLU CA C 107 54.700 54.648 0.052 1 1 1024 . 13 1 1 A 84 84 GLU CB C 107 32.900 32.870 0.030 1 1 1026 . 13 1 1 A 84 84 GLU N N 107 118.300 119.582 -1.282 1 1 1027 . 13 1 1 A 85 85 PHE H H 108 9.690 8.826 0.864 1 1 1028 . 13 1 1 A 85 85 PHE HA H 108 5.000 4.752 0.248 1 1 1035 . 13 1 1 A 85 85 PHE C C 108 174.500 175.753 -1.253 1 1 1036 . 13 1 1 A 85 85 PHE CA C 108 58.600 58.395 0.205 1 1 1037 . 13 1 1 A 85 85 PHE CB C 108 41.800 40.334 1.466 1 1 1042 . 13 1 1 A 85 85 PHE N N 108 121.100 121.852 -0.752 1 1 1043 . 13 1 1 A 86 86 ASN H H 109 9.180 9.075 0.105 1 1 1044 . 13 1 1 A 86 86 ASN HA H 109 5.580 5.330 0.250 1 1 1049 . 13 1 1 A 86 86 ASN C C 109 175.000 173.400 1.600 1 1 1050 . 13 1 1 A 86 86 ASN CA C 109 51.200 52.365 -1.165 1 1 1051 . 13 1 1 A 86 86 ASN CB C 109 42.100 42.726 -0.626 1 1 1053 . 13 1 1 A 86 86 ASN N N 109 119.400 118.799 0.601 1 1 1055 . 13 1 1 A 87 87 VAL H H 110 9.060 8.585 0.475 1 1 1056 . 13 1 1 A 87 87 VAL HA H 110 4.940 4.983 -0.043 1 1 1064 . 13 1 1 A 87 87 VAL C C 110 171.700 173.627 -1.927 1 1 1065 . 13 1 1 A 87 87 VAL CA C 110 58.400 60.068 -1.668 1 1 1066 . 13 1 1 A 87 87 VAL CB C 110 33.800 34.600 -0.800 1 1 1069 . 13 1 1 A 87 87 VAL N N 110 121.300 120.275 1.025 1 1 1070 . 13 1 1 A 88 88 VAL H H 111 8.640 8.893 -0.253 1 1 1071 . 13 1 1 A 88 88 VAL HA H 111 4.590 4.527 0.063 1 1 1079 . 13 1 1 A 88 88 VAL C C 111 175.700 173.367 2.333 1 1 1080 . 13 1 1 A 88 88 VAL CA C 111 60.100 60.610 -0.510 1 1 1081 . 13 1 1 A 88 88 VAL CB C 111 36.200 35.144 1.056 1 1 1084 . 13 1 1 A 88 88 VAL N N 111 125.500 127.988 -2.488 1 1 1085 . 13 1 1 A 89 89 ASP H H 112 8.480 8.367 0.113 1 1 1086 . 13 1 1 A 89 89 ASP HA H 112 4.870 4.728 0.142 1 1 1089 . 13 1 1 A 89 89 ASP C C 112 177.200 177.186 0.014 1 1 1090 . 13 1 1 A 89 89 ASP CA C 112 54.700 52.871 1.829 1 1 1091 . 13 1 1 A 89 89 ASP CB C 112 43.600 42.294 1.306 1 1 1092 . 13 1 1 A 89 89 ASP N N 112 126.600 127.307 -0.707 1 1 1093 . 13 1 1 A 90 90 VAL H H 113 7.980 8.509 -0.529 1 1 1094 . 13 1 1 A 90 90 VAL HA H 113 4.540 3.971 0.569 1 1 1102 . 13 1 1 A 90 90 VAL C C 113 174.400 176.773 -2.373 1 1 1103 . 13 1 1 A 90 90 VAL CA C 113 60.300 63.184 -2.884 1 1 1104 . 13 1 1 A 90 90 VAL CB C 113 29.500 31.580 -2.080 1 1 1107 . 13 1 1 A 90 90 VAL N N 113 119.700 121.619 -1.919 1 1 1108 . 13 1 1 A 91 91 GLY H H 114 8.600 8.616 -0.016 1 1 1109 . 13 1 1 A 91 91 GLY HA2 H 114 4.260 3.845 0.415 1 1 1110 . 13 1 1 A 91 91 GLY HA3 H 114 3.720 3.883 -0.163 1 1 1111 . 13 1 1 A 91 91 GLY C C 114 175.300 174.371 0.929 1 1 1112 . 13 1 1 A 91 91 GLY CA C 114 45.700 45.527 0.173 1 1 1113 . 13 1 1 A 91 91 GLY N N 114 111.300 111.512 -0.212 1 1 1114 . 13 1 1 A 92 92 SER H H 115 9.190 7.835 1.355 1 1 1115 . 13 1 1 A 92 92 SER HA H 115 3.890 4.073 -0.183 1 1 1118 . 13 1 1 A 92 92 SER C C 115 174.500 173.978 0.522 1 1 1119 . 13 1 1 A 92 92 SER CA C 115 58.600 60.755 -2.155 1 1 1120 . 13 1 1 A 92 92 SER CB C 115 61.300 61.805 -0.505 1 1 1121 . 13 1 1 A 92 92 SER N N 115 121.000 112.476 8.524 1 1 1122 . 13 1 1 A 93 93 LEU H H 116 7.720 8.135 -0.415 1 1 1123 . 13 1 1 A 93 93 LEU HA H 116 4.250 4.020 0.230 1 1 1133 . 13 1 1 A 93 93 LEU C C 116 179.100 177.398 1.702 1 1 1134 . 13 1 1 A 93 93 LEU CA C 116 57.200 55.688 1.512 1 1 1135 . 13 1 1 A 93 93 LEU CB C 116 42.100 42.184 -0.084 1 1 1139 . 13 1 1 A 93 93 LEU N N 116 120.500 121.886 -1.386 1 1 1140 . 13 1 1 A 94 94 ASN H H 117 8.450 9.099 -0.649 1 1 1141 . 13 1 1 A 94 94 ASN HA H 117 4.870 4.430 0.440 1 1 1146 . 13 1 1 A 94 94 ASN C C 117 175.800 174.836 0.964 1 1 1147 . 13 1 1 A 94 94 ASN CA C 117 54.000 54.111 -0.111 1 1 1148 . 13 1 1 A 94 94 ASN CB C 117 40.100 37.776 2.324 1 1 1150 . 13 1 1 A 94 94 ASN N N 117 112.500 124.307 -11.807 1 1 1152 . 13 1 1 A 95 95 GLY H H 118 7.940 8.113 -0.173 1 1 1153 . 13 1 1 A 95 95 GLY HA2 H 118 4.190 3.960 0.230 1 1 1154 . 13 1 1 A 95 95 GLY HA3 H 118 3.610 3.993 -0.383 1 1 1155 . 13 1 1 A 95 95 GLY C C 118 174.000 173.369 0.631 1 1 1156 . 13 1 1 A 95 95 GLY CA C 118 44.300 44.392 -0.092 1 1 1157 . 13 1 1 A 95 95 GLY N N 118 109.800 107.663 2.137 1 1 1158 . 13 1 1 A 96 96 THR H H 119 8.940 8.773 0.167 1 1 1159 . 13 1 1 A 96 96 THR HA H 119 3.820 4.090 -0.270 1 1 1165 . 13 1 1 A 96 96 THR C C 119 172.300 173.838 -1.538 1 1 1166 . 13 1 1 A 96 96 THR CA C 119 64.100 63.058 1.042 1 1 1167 . 13 1 1 A 96 96 THR CB C 119 70.200 69.239 0.961 1 1 1169 . 13 1 1 A 96 96 THR N N 119 122.000 114.235 7.765 1 1 1170 . 13 1 1 A 97 97 TYR H H 120 8.220 8.401 -0.181 1 1 1171 . 13 1 1 A 97 97 TYR HA H 120 5.340 5.857 -0.517 1 1 1178 . 13 1 1 A 97 97 TYR C C 120 175.900 173.176 2.724 1 1 1179 . 13 1 1 A 97 97 TYR CA C 120 55.600 55.072 0.528 1 1 1180 . 13 1 1 A 97 97 TYR CB C 120 41.400 41.795 -0.395 1 1 1185 . 13 1 1 A 97 97 TYR N N 120 122.800 123.723 -0.923 1 1 1186 . 13 1 1 A 98 98 VAL H H 121 9.040 8.887 0.153 1 1 1187 . 13 1 1 A 98 98 VAL HA H 121 5.010 4.818 0.192 1 1 1195 . 13 1 1 A 98 98 VAL C C 121 176.900 175.409 1.491 1 1 1196 . 13 1 1 A 98 98 VAL CA C 121 61.100 59.673 1.427 1 1 1197 . 13 1 1 A 98 98 VAL CB C 121 33.000 34.481 -1.481 1 1 1200 . 13 1 1 A 98 98 VAL N N 121 121.400 120.553 0.847 1 1 1201 . 13 1 1 A 99 99 ASN H H 122 10.100 9.018 1.082 1 1 1202 . 13 1 1 A 99 99 ASN HA H 122 4.440 4.480 -0.040 1 1 1207 . 13 1 1 A 99 99 ASN C C 122 174.500 176.656 -2.156 1 1 1208 . 13 1 1 A 99 99 ASN CA C 122 55.000 55.206 -0.206 1 1 1209 . 13 1 1 A 99 99 ASN CB C 122 37.000 37.097 -0.097 1 1 1211 . 13 1 1 A 99 99 ASN N N 122 129.400 127.309 2.091 1 1 1213 . 13 1 1 A 100 100 ARG H H 123 9.290 8.729 0.561 1 1 1214 . 13 1 1 A 100 100 ARG HA H 123 3.680 4.188 -0.508 1 1 1222 . 13 1 1 A 100 100 ARG C C 123 175.200 176.196 -0.996 1 1 1223 . 13 1 1 A 100 100 ARG CA C 123 58.100 58.477 -0.377 1 1 1224 . 13 1 1 A 100 100 ARG CB C 123 27.600 29.752 -2.152 1 1 1227 . 13 1 1 A 100 100 ARG N N 123 106.100 121.655 -15.555 1 1 1229 . 13 1 1 A 101 101 GLU H H 124 7.970 7.415 0.555 1 1 1230 . 13 1 1 A 101 101 GLU HA H 124 5.110 4.726 0.384 1 1 1235 . 13 1 1 A 101 101 GLU CA C 124 53.000 52.893 0.107 1 1 1236 . 13 1 1 A 101 101 GLU CB C 124 30.900 30.683 0.217 1 1 1238 . 13 1 1 A 101 101 GLU N N 124 121.300 121.055 0.245 1 1 1239 . 13 1 1 A 102 102 PRO HA H 125 4.050 5.036 -0.986 1 1 1246 . 13 1 1 A 102 102 PRO C C 125 177.500 176.705 0.795 1 1 1247 . 13 1 1 A 102 102 PRO CA C 125 62.300 62.471 -0.171 1 1 1248 . 13 1 1 A 102 102 PRO CB C 125 31.300 31.960 -0.660 1 1 1251 . 13 1 1 A 103 103 VAL H H 126 8.330 8.282 0.048 1 1 1252 . 13 1 1 A 103 103 VAL HA H 126 4.700 4.828 -0.128 1 1 1260 . 13 1 1 A 103 103 VAL C C 126 174.500 175.925 -1.425 1 1 1261 . 13 1 1 A 103 103 VAL CA C 126 58.900 59.503 -0.603 1 1 1262 . 13 1 1 A 103 103 VAL CB C 126 35.300 35.438 -0.138 1 1 1265 . 13 1 1 A 103 103 VAL N N 126 115.000 117.350 -2.350 1 1 1266 . 13 1 1 A 104 104 ASP H H 127 8.520 8.706 -0.186 1 1 1267 . 13 1 1 A 104 104 ASP HA H 127 4.780 4.414 0.366 1 1 1270 . 13 1 1 A 104 104 ASP C C 127 176.200 176.300 -0.100 1 1 1271 . 13 1 1 A 104 104 ASP CA C 127 55.800 57.145 -1.345 1 1 1272 . 13 1 1 A 104 104 ASP CB C 127 41.100 42.130 -1.030 1 1 1273 . 13 1 1 A 104 104 ASP N N 127 120.800 122.923 -2.123 1 1 1274 . 13 1 1 A 105 105 SER H H 128 7.650 7.873 -0.223 1 1 1275 . 13 1 1 A 105 105 SER HA H 128 5.440 4.883 0.557 1 1 1278 . 13 1 1 A 105 105 SER C C 128 173.400 172.735 0.665 1 1 1279 . 13 1 1 A 105 105 SER CA C 128 56.600 57.413 -0.813 1 1 1280 . 13 1 1 A 105 105 SER CB C 128 65.000 65.683 -0.683 1 1 1281 . 13 1 1 A 105 105 SER N N 128 111.500 110.370 1.130 1 1 1282 . 13 1 1 A 106 106 ALA H H 129 8.790 8.066 0.724 1 1 1283 . 13 1 1 A 106 106 ALA HA H 129 4.610 4.842 -0.232 1 1 1287 . 13 1 1 A 106 106 ALA C C 129 175.300 176.133 -0.833 1 1 1288 . 13 1 1 A 106 106 ALA CA C 129 52.100 51.454 0.646 1 1 1289 . 13 1 1 A 106 106 ALA CB C 129 22.600 22.980 -0.380 1 1 1290 . 13 1 1 A 106 106 ALA N N 129 125.100 121.569 3.531 1 1 1291 . 13 1 1 A 107 107 VAL H H 130 8.340 8.676 -0.336 1 1 1292 . 13 1 1 A 107 107 VAL HA H 130 4.160 4.466 -0.306 1 1 1300 . 13 1 1 A 107 107 VAL C C 130 176.300 176.033 0.267 1 1 1301 . 13 1 1 A 107 107 VAL CA C 130 62.600 62.352 0.248 1 1 1302 . 13 1 1 A 107 107 VAL CB C 130 32.000 32.120 -0.120 1 1 1305 . 13 1 1 A 107 107 VAL N N 130 122.800 119.469 3.331 1 1 1306 . 13 1 1 A 108 108 LEU H H 131 8.490 8.505 -0.015 1 1 1307 . 13 1 1 A 108 108 LEU HA H 131 4.370 4.170 0.200 1 1 1317 . 13 1 1 A 108 108 LEU C C 131 175.200 175.883 -0.683 1 1 1318 . 13 1 1 A 108 108 LEU CA C 131 54.200 54.367 -0.167 1 1 1319 . 13 1 1 A 108 108 LEU CB C 131 43.000 41.614 1.386 1 1 1323 . 13 1 1 A 108 108 LEU N N 131 128.900 128.457 0.443 1 1 1324 . 13 1 1 A 109 109 ALA H H 132 9.130 8.779 0.351 1 1 1325 . 13 1 1 A 109 109 ALA HA H 132 4.750 4.894 -0.144 1 1 1329 . 13 1 1 A 109 109 ALA C C 132 176.500 176.632 -0.132 1 1 1330 . 13 1 1 A 109 109 ALA CA C 132 49.700 51.019 -1.319 1 1 1331 . 13 1 1 A 109 109 ALA CB C 132 22.400 22.906 -0.506 1 1 1332 . 13 1 1 A 109 109 ALA N N 132 126.000 123.734 2.266 1 1 1333 . 13 1 1 A 110 110 ASN H H 133 8.860 8.856 0.004 1 1 1334 . 13 1 1 A 110 110 ASN HA H 133 4.430 4.712 -0.282 1 1 1339 . 13 1 1 A 110 110 ASN C C 133 176.400 175.972 0.428 1 1 1340 . 13 1 1 A 110 110 ASN CA C 133 56.400 54.724 1.676 1 1 1341 . 13 1 1 A 110 110 ASN CB C 133 39.800 38.011 1.789 1 1 1343 . 13 1 1 A 110 110 ASN N N 133 117.600 119.249 -1.649 1 1 1345 . 13 1 1 A 111 111 GLY H H 134 10.100 8.530 1.570 1 1 1346 . 13 1 1 A 111 111 GLY HA2 H 134 4.430 3.950 0.480 1 1 1347 . 13 1 1 A 111 111 GLY HA3 H 134 3.410 3.952 -0.542 1 1 1348 . 13 1 1 A 111 111 GLY C C 134 174.800 174.127 0.673 1 1 1349 . 13 1 1 A 111 111 GLY CA C 134 45.100 45.639 -0.539 1 1 1350 . 13 1 1 A 111 111 GLY N N 134 117.200 112.030 5.170 1 1 1351 . 13 1 1 A 112 112 ASP H H 135 8.640 8.091 0.549 1 1 1352 . 13 1 1 A 112 112 ASP HA H 135 4.430 4.936 -0.506 1 1 1355 . 13 1 1 A 112 112 ASP C C 135 174.700 174.699 0.001 1 1 1356 . 13 1 1 A 112 112 ASP CA C 135 56.200 53.856 2.344 1 1 1357 . 13 1 1 A 112 112 ASP CB C 135 42.100 42.174 -0.074 1 1 1358 . 13 1 1 A 112 112 ASP N N 135 122.900 120.928 1.972 1 1 1359 . 13 1 1 A 113 113 GLU H H 136 8.360 8.771 -0.411 1 1 1360 . 13 1 1 A 113 113 GLU HA H 136 5.220 5.054 0.166 1 1 1365 . 13 1 1 A 113 113 GLU C C 136 176.000 175.244 0.756 1 1 1366 . 13 1 1 A 113 113 GLU CA C 136 54.400 55.321 -0.921 1 1 1367 . 13 1 1 A 113 113 GLU CB C 136 32.900 32.534 0.366 1 1 1369 . 13 1 1 A 113 113 GLU N N 136 119.000 123.061 -4.061 1 1 1370 . 13 1 1 A 114 114 VAL H H 137 9.800 8.597 1.203 1 1 1371 . 13 1 1 A 114 114 VAL HA H 137 5.160 4.912 0.248 1 1 1379 . 13 1 1 A 114 114 VAL C C 137 174.400 174.469 -0.069 1 1 1380 . 13 1 1 A 114 114 VAL CA C 137 60.400 60.906 -0.506 1 1 1381 . 13 1 1 A 114 114 VAL CB C 137 34.300 34.957 -0.657 1 1 1384 . 13 1 1 A 114 114 VAL N N 137 129.000 126.253 2.747 1 1 1385 . 13 1 1 A 115 115 GLN H H 138 9.610 8.941 0.669 1 1 1386 . 13 1 1 A 115 115 GLN HA H 138 5.430 5.142 0.288 1 1 1393 . 13 1 1 A 115 115 GLN C C 138 174.800 174.221 0.579 1 1 1394 . 13 1 1 A 115 115 GLN CA C 138 54.500 54.049 0.451 1 1 1395 . 13 1 1 A 115 115 GLN CB C 138 30.700 31.889 -1.189 1 1 1398 . 13 1 1 A 115 115 GLN N N 138 129.300 127.612 1.688 1 1 1399 . 13 1 1 A 116 116 ILE H H 139 8.400 8.471 -0.071 1 1 1400 . 13 1 1 A 116 116 ILE HA H 139 4.020 4.623 -0.603 1 1 1410 . 13 1 1 A 116 116 ILE C C 139 174.500 176.371 -1.871 1 1 1411 . 13 1 1 A 116 116 ILE CA C 139 60.600 60.223 0.377 1 1 1412 . 13 1 1 A 116 116 ILE CB C 139 40.900 39.464 1.436 1 1 1416 . 13 1 1 A 116 116 ILE N N 139 128.300 127.778 0.522 1 1 1417 . 13 1 1 A 117 117 GLY H H 140 9.650 8.800 0.850 1 1 1418 . 13 1 1 A 117 117 GLY HA2 H 140 3.820 3.740 0.080 1 1 1419 . 13 1 1 A 117 117 GLY HA3 H 140 3.630 3.769 -0.139 1 1 1420 . 13 1 1 A 117 117 GLY C C 140 175.400 174.934 0.466 1 1 1421 . 13 1 1 A 117 117 GLY CA C 140 46.500 46.894 -0.394 1 1 1422 . 13 1 1 A 117 117 GLY N N 140 116.800 116.607 0.193 1 1 1423 . 13 1 1 A 118 118 LYS H H 141 7.960 8.328 -0.368 1 1 1424 . 13 1 1 A 118 118 LYS HA H 141 4.070 4.349 -0.279 1 1 1433 . 13 1 1 A 118 118 LYS C C 141 175.600 176.742 -1.142 1 1 1434 . 13 1 1 A 118 118 LYS CA C 141 56.700 57.427 -0.727 1 1 1435 . 13 1 1 A 118 118 LYS CB C 141 32.600 32.949 -0.349 1 1 1439 . 13 1 1 A 118 118 LYS N N 141 122.400 126.110 -3.710 1 1 1440 . 13 1 1 A 119 119 PHE H H 142 8.260 7.715 0.545 1 1 1441 . 13 1 1 A 119 119 PHE HA H 142 4.540 4.827 -0.287 1 1 1449 . 13 1 1 A 119 119 PHE C C 142 174.700 176.068 -1.368 1 1 1450 . 13 1 1 A 119 119 PHE CA C 142 58.200 57.676 0.524 1 1 1451 . 13 1 1 A 119 119 PHE CB C 142 39.900 40.709 -0.809 1 1 1456 . 13 1 1 A 119 119 PHE N N 142 119.500 117.705 1.795 1 1 1457 . 13 1 1 A 120 120 ARG H H 143 8.690 8.667 0.023 1 1 1458 . 13 1 1 A 120 120 ARG HA H 143 5.020 5.127 -0.107 1 1 1465 . 13 1 1 A 120 120 ARG C C 143 174.800 175.597 -0.797 1 1 1466 . 13 1 1 A 120 120 ARG CA C 143 55.100 55.222 -0.122 1 1 1467 . 13 1 1 A 120 120 ARG CB C 143 32.800 32.880 -0.080 1 1 1470 . 13 1 1 A 120 120 ARG N N 143 121.500 121.861 -0.361 1 1 1471 . 13 1 1 A 121 121 LEU H H 144 9.760 8.648 1.112 1 1 1472 . 13 1 1 A 121 121 LEU HA H 144 5.420 5.203 0.217 1 1 1482 . 13 1 1 A 121 121 LEU C C 144 175.000 175.564 -0.564 1 1 1483 . 13 1 1 A 121 121 LEU CA C 144 53.900 53.519 0.381 1 1 1484 . 13 1 1 A 121 121 LEU CB C 144 44.900 46.425 -1.525 1 1 1488 . 13 1 1 A 121 121 LEU N N 144 126.400 124.582 1.818 1 1 1489 . 13 1 1 A 122 122 VAL H H 145 9.370 8.908 0.462 1 1 1490 . 13 1 1 A 122 122 VAL HA H 145 5.010 5.097 -0.087 1 1 1498 . 13 1 1 A 122 122 VAL C C 145 173.700 173.276 0.424 1 1 1499 . 13 1 1 A 122 122 VAL CA C 145 60.800 59.562 1.238 1 1 1500 . 13 1 1 A 122 122 VAL CB C 145 34.300 34.971 -0.671 1 1 1503 . 13 1 1 A 122 122 VAL N N 145 121.900 121.046 0.854 1 1 1504 . 13 1 1 A 123 123 PHE H H 146 8.830 9.312 -0.482 1 1 1505 . 13 1 1 A 123 123 PHE HA H 146 4.980 4.806 0.174 1 1 1513 . 13 1 1 A 123 123 PHE C C 146 172.700 174.195 -1.495 1 1 1514 . 13 1 1 A 123 123 PHE CA C 146 57.100 56.434 0.666 1 1 1515 . 13 1 1 A 123 123 PHE CB C 146 41.100 39.688 1.412 1 1 1521 . 13 1 1 A 123 123 PHE N N 146 128.700 130.046 -1.346 1 1 1522 . 13 1 1 A 124 124 LEU H H 147 8.650 8.326 0.324 1 1 1523 . 13 1 1 A 124 124 LEU HA H 147 5.020 4.838 0.182 1 1 1533 . 13 1 1 A 124 124 LEU C C 147 175.300 175.557 -0.257 1 1 1534 . 13 1 1 A 124 124 LEU CA C 147 52.600 53.426 -0.826 1 1 1535 . 13 1 1 A 124 124 LEU CB C 147 45.600 46.038 -0.438 1 1 1539 . 13 1 1 A 124 124 LEU N N 147 128.000 128.764 -0.764 1 1 1540 . 13 1 1 A 125 125 THR H H 148 8.300 8.400 -0.100 1 1 1541 . 13 1 1 A 125 125 THR HA H 148 4.330 5.052 -0.722 1 1 1546 . 13 1 1 A 125 125 THR C C 148 173.900 173.549 0.351 1 1 1547 . 13 1 1 A 125 125 THR CA C 148 60.200 59.544 0.656 1 1 1548 . 13 1 1 A 125 125 THR CB C 148 70.300 70.797 -0.497 1 1 1550 . 13 1 1 A 125 125 THR N N 148 110.600 112.425 -1.825 1 1 1551 . 13 1 1 A 126 126 GLY H H 149 8.310 8.452 -0.142 1 1 1552 . 13 1 1 A 126 126 GLY HA2 H 149 3.840 4.212 -0.372 1 1 1553 . 13 1 1 A 126 126 GLY HA3 H 149 3.840 4.261 -0.421 1 1 1554 . 13 1 1 A 126 126 GLY CA C 149 45.200 45.541 -0.341 1 1 1555 . 13 1 1 A 126 126 GLY N N 149 109.800 109.348 0.452 1 1 1556 . 13 1 1 A 127 127 HIS H H 150 8.310 8.658 -0.348 1 1 1557 . 13 1 1 A 127 127 HIS HA H 150 4.630 4.619 0.011 1 1 1562 . 13 1 1 A 127 127 HIS C C 150 174.800 175.647 -0.847 1 1 1563 . 13 1 1 A 127 127 HIS CA C 150 55.900 55.564 0.336 1 1 1564 . 13 1 1 A 127 127 HIS CB C 150 30.700 31.099 -0.399 1 1 1567 . 13 1 1 A 127 127 HIS N N 150 119.300 117.760 1.540 1 1 1570 . 13 1 1 A 128 128 LYS H H 151 8.490 8.763 -0.273 1 1 1571 . 13 1 1 A 128 128 LYS HA H 151 4.300 3.727 0.573 1 1 1580 . 13 1 1 A 128 128 LYS C C 151 176.200 176.636 -0.436 1 1 1581 . 13 1 1 A 128 128 LYS CA C 151 56.100 59.254 -3.154 1 1 1582 . 13 1 1 A 128 128 LYS CB C 151 33.200 31.981 1.219 1 1 1586 . 13 1 1 A 128 128 LYS N N 151 123.800 120.700 3.100 1 1 1587 . 13 1 1 A 129 129 GLN H H 152 8.640 7.996 0.644 1 1 1588 . 13 1 1 A 129 129 GLN HA H 152 4.270 3.848 0.422 1 1 1595 . 13 1 1 A 129 129 GLN C C 152 176.500 175.149 1.351 1 1 1596 . 13 1 1 A 129 129 GLN CA C 152 56.400 56.888 -0.488 1 1 1597 . 13 1 1 A 129 129 GLN CB C 152 29.500 27.874 1.626 1 1 1600 . 13 1 1 A 129 129 GLN N N 152 122.900 118.514 4.386 1 1 1602 . 13 1 1 A 130 130 GLY H H 153 8.640 8.310 0.330 1 1 1603 . 13 1 1 A 130 130 GLY HA2 H 153 3.990 3.932 0.058 1 1 1604 . 13 1 1 A 130 130 GLY HA3 H 153 3.910 3.934 -0.024 1 1 1605 . 13 1 1 A 130 130 GLY C C 153 174.100 174.679 -0.579 1 1 1606 . 13 1 1 A 130 130 GLY CA C 153 45.400 44.778 0.622 1 1 1607 . 13 1 1 A 130 130 GLY N N 153 111.100 107.668 3.432 1 1 1608 . 13 1 1 A 131 131 GLU H H 154 8.220 8.710 -0.490 1 1 1609 . 13 1 1 A 131 131 GLU HA H 154 4.260 4.536 -0.276 1 1 1614 . 13 1 1 A 131 131 GLU C C 154 176.100 176.195 -0.095 1 1 1615 . 13 1 1 A 131 131 GLU CA C 154 56.600 56.506 0.094 1 1 1616 . 13 1 1 A 131 131 GLU CB C 154 30.600 32.231 -1.631 1 1 1618 . 13 1 1 A 131 131 GLU N N 154 120.500 119.098 1.402 1 1 1619 . 13 1 1 A 132 132 ASP H H 155 8.530 7.825 0.705 1 1 1620 . 13 1 1 A 132 132 ASP HA H 155 4.560 4.628 -0.068 1 1 1623 . 13 1 1 A 132 132 ASP C C 155 176.300 175.879 0.421 1 1 1624 . 13 1 1 A 132 132 ASP CA C 155 54.300 53.613 0.687 1 1 1625 . 13 1 1 A 132 132 ASP CB C 155 41.000 41.690 -0.690 1 1 1626 . 13 1 1 A 132 132 ASP N N 155 121.300 121.031 0.269 1 1 1627 . 13 1 1 A 133 133 LEU H H 156 8.230 8.626 -0.396 1 1 1628 . 13 1 1 A 133 133 LEU HA H 156 4.200 3.881 0.319 1 1 1638 . 13 1 1 A 133 133 LEU C C 156 177.700 176.958 0.742 1 1 1639 . 13 1 1 A 133 133 LEU CA C 156 55.500 58.150 -2.650 1 1 1640 . 13 1 1 A 133 133 LEU CB C 156 42.100 41.629 0.471 1 1 1644 . 13 1 1 A 133 133 LEU N N 156 122.500 126.478 -3.978 1 1 1645 . 13 1 1 A 134 134 GLU H H 157 8.270 8.141 0.129 1 1 1646 . 13 1 1 A 134 134 GLU HA H 157 4.100 4.129 -0.029 1 1 1651 . 13 1 1 A 134 134 GLU C C 157 177.300 175.860 1.440 1 1 1652 . 13 1 1 A 134 134 GLU CA C 157 56.900 57.843 -0.943 1 1 1653 . 13 1 1 A 134 134 GLU CB C 157 30.000 27.828 2.172 1 1 1655 . 13 1 1 A 134 134 GLU N N 157 119.800 116.353 3.447 1 1 1656 . 13 1 1 A 135 135 HIS H H 158 8.150 8.299 -0.149 1 1 1657 . 13 1 1 A 135 135 HIS HA H 158 4.530 4.546 -0.016 1 1 1662 . 13 1 1 A 135 135 HIS CA C 158 56.100 57.883 -1.783 1 1 1663 . 13 1 1 A 135 135 HIS CB C 158 30.000 28.540 1.460 1 1 1664 . 13 1 1 A 135 135 HIS N N 158 118.500 110.927 7.573 1 1 1665 . 13 1 1 A 139 139 HIS HA H 162 4.590 4.736 -0.146 1 1 1668 . 13 1 1 A 139 139 HIS C C 162 173.900 174.885 -0.985 1 1 1669 . 13 1 1 A 139 139 HIS CA C 162 55.900 53.884 2.016 1 1 1670 . 13 1 1 A 139 139 HIS CB C 162 30.100 32.973 -2.873 1 1 15 . 14 1 1 A 2 2 PHE H H 25 8.640 7.577 1.063 1 1 16 . 14 1 1 A 2 2 PHE HA H 25 4.630 4.827 -0.197 1 1 24 . 14 1 1 A 2 2 PHE C C 25 175.000 173.638 1.362 1 1 25 . 14 1 1 A 2 2 PHE CA C 25 58.000 57.929 0.071 1 1 26 . 14 1 1 A 2 2 PHE CB C 25 39.700 41.891 -2.191 1 1 31 . 14 1 1 A 3 3 ARG H H 26 8.210 8.080 0.130 1 1 32 . 14 1 1 A 3 3 ARG HA H 26 4.200 4.089 0.111 1 1 40 . 14 1 1 A 3 3 ARG C C 26 175.100 175.664 -0.564 1 1 41 . 14 1 1 A 3 3 ARG CA C 26 55.600 55.889 -0.289 1 1 42 . 14 1 1 A 3 3 ARG CB C 26 31.300 30.425 0.875 1 1 45 . 14 1 1 A 3 3 ARG N N 26 125.000 124.423 0.577 1 1 47 . 14 1 1 A 4 4 ALA H H 27 8.260 8.296 -0.036 1 1 48 . 14 1 1 A 4 4 ALA HA H 27 4.090 4.235 -0.145 1 1 52 . 14 1 1 A 4 4 ALA C C 27 177.300 177.870 -0.570 1 1 53 . 14 1 1 A 4 4 ALA CA C 27 52.800 51.792 1.008 1 1 54 . 14 1 1 A 4 4 ALA CB C 27 19.200 19.786 -0.586 1 1 55 . 14 1 1 A 4 4 ALA N N 27 125.400 123.985 1.415 1 1 56 . 14 1 1 A 5 5 ASP H H 28 8.260 8.867 -0.607 1 1 57 . 14 1 1 A 5 5 ASP HA H 28 4.470 4.689 -0.219 1 1 60 . 14 1 1 A 5 5 ASP C C 28 176.200 176.119 0.081 1 1 61 . 14 1 1 A 5 5 ASP CA C 28 54.500 55.265 -0.765 1 1 62 . 14 1 1 A 5 5 ASP CB C 28 40.700 41.265 -0.565 1 1 63 . 14 1 1 A 5 5 ASP N N 28 118.200 118.317 -0.117 1 1 64 . 14 1 1 A 6 6 PHE H H 29 7.930 6.978 0.952 1 1 65 . 14 1 1 A 6 6 PHE HA H 29 4.510 4.847 -0.337 1 1 73 . 14 1 1 A 6 6 PHE C C 29 175.700 174.227 1.473 1 1 74 . 14 1 1 A 6 6 PHE CA C 29 58.000 55.835 2.165 1 1 75 . 14 1 1 A 6 6 PHE CB C 29 39.300 41.343 -2.043 1 1 81 . 14 1 1 A 6 6 PHE N N 29 119.400 115.727 3.673 1 1 82 . 14 1 1 A 7 7 LEU H H 30 8.000 8.882 -0.882 1 1 83 . 14 1 1 A 7 7 LEU HA H 30 4.210 4.103 0.107 1 1 93 . 14 1 1 A 7 7 LEU C C 30 177.400 176.905 0.495 1 1 94 . 14 1 1 A 7 7 LEU CA C 30 55.400 56.225 -0.825 1 1 95 . 14 1 1 A 7 7 LEU CB C 30 42.200 41.742 0.458 1 1 99 . 14 1 1 A 7 7 LEU N N 30 122.100 122.046 0.054 1 1 100 . 14 1 1 A 8 8 SER H H 31 8.130 8.446 -0.316 1 1 101 . 14 1 1 A 8 8 SER HA H 31 4.330 4.037 0.293 1 1 104 . 14 1 1 A 8 8 SER C C 31 174.900 174.659 0.241 1 1 105 . 14 1 1 A 8 8 SER CA C 31 58.800 58.549 0.251 1 1 106 . 14 1 1 A 8 8 SER CB C 31 63.800 63.550 0.250 1 1 107 . 14 1 1 A 8 8 SER N N 31 116.000 120.286 -4.286 1 1 108 . 14 1 1 A 9 9 GLU H H 32 8.380 8.755 -0.375 1 1 109 . 14 1 1 A 9 9 GLU HA H 32 4.240 4.189 0.051 1 1 114 . 14 1 1 A 9 9 GLU C C 32 176.600 175.380 1.220 1 1 115 . 14 1 1 A 9 9 GLU CA C 32 57.000 57.980 -0.980 1 1 116 . 14 1 1 A 9 9 GLU CB C 32 30.000 28.691 1.309 1 1 118 . 14 1 1 A 9 9 GLU N N 32 122.200 120.290 1.910 1 1 119 . 14 1 1 A 10 10 LEU H H 33 7.990 8.595 -0.605 1 1 120 . 14 1 1 A 10 10 LEU HA H 33 4.220 4.412 -0.192 1 1 130 . 14 1 1 A 10 10 LEU C C 33 177.100 176.894 0.206 1 1 131 . 14 1 1 A 10 10 LEU CA C 33 55.500 54.769 0.731 1 1 132 . 14 1 1 A 10 10 LEU CB C 33 42.200 42.655 -0.455 1 1 136 . 14 1 1 A 10 10 LEU N N 33 121.200 124.512 -3.312 1 1 137 . 14 1 1 A 11 11 ASP H H 34 8.090 8.641 -0.551 1 1 138 . 14 1 1 A 11 11 ASP HA H 34 4.550 4.578 -0.028 1 1 141 . 14 1 1 A 11 11 ASP C C 34 175.400 176.163 -0.763 1 1 142 . 14 1 1 A 11 11 ASP CA C 34 54.200 54.785 -0.585 1 1 143 . 14 1 1 A 11 11 ASP CB C 34 41.300 41.233 0.067 1 1 144 . 14 1 1 A 11 11 ASP N N 34 120.000 121.656 -1.656 1 1 145 . 14 1 1 A 12 12 ALA H H 35 7.950 8.398 -0.448 1 1 146 . 14 1 1 A 12 12 ALA HA H 35 4.510 4.941 -0.431 1 1 150 . 14 1 1 A 12 12 ALA CA C 35 50.800 49.776 1.024 1 1 151 . 14 1 1 A 12 12 ALA CB C 35 18.300 18.963 -0.663 1 1 152 . 14 1 1 A 12 12 ALA N N 35 124.600 124.015 0.585 1 1 153 . 14 1 1 A 13 13 PRO HA H 36 4.360 4.417 -0.057 1 1 160 . 14 1 1 A 13 13 PRO C C 36 176.900 177.422 -0.522 1 1 161 . 14 1 1 A 13 13 PRO CA C 36 63.200 63.636 -0.436 1 1 162 . 14 1 1 A 13 13 PRO CB C 36 32.000 32.213 -0.213 1 1 165 . 14 1 1 A 14 14 ALA H H 37 8.390 7.965 0.425 1 1 166 . 14 1 1 A 14 14 ALA HA H 37 4.230 3.974 0.256 1 1 170 . 14 1 1 A 14 14 ALA C C 37 177.900 177.132 0.768 1 1 171 . 14 1 1 A 14 14 ALA CA C 37 52.600 54.132 -1.532 1 1 172 . 14 1 1 A 14 14 ALA CB C 37 19.300 17.884 1.416 1 1 173 . 14 1 1 A 14 14 ALA N N 37 123.900 120.700 3.200 1 1 174 . 14 1 1 A 15 15 GLN H H 38 8.330 8.388 -0.058 1 1 175 . 14 1 1 A 15 15 GLN HA H 38 4.280 4.636 -0.356 1 1 182 . 14 1 1 A 15 15 GLN C C 38 175.800 176.674 -0.874 1 1 183 . 14 1 1 A 15 15 GLN CA C 38 55.700 54.642 1.058 1 1 184 . 14 1 1 A 15 15 GLN CB C 38 29.600 29.571 0.029 1 1 187 . 14 1 1 A 15 15 GLN N N 38 119.300 118.347 0.953 1 1 189 . 14 1 1 A 16 16 ALA H H 39 8.410 8.184 0.226 1 1 190 . 14 1 1 A 16 16 ALA HA H 39 4.070 3.897 0.173 1 1 194 . 14 1 1 A 16 16 ALA C C 39 178.200 177.448 0.752 1 1 195 . 14 1 1 A 16 16 ALA CA C 39 52.800 54.428 -1.628 1 1 196 . 14 1 1 A 16 16 ALA CB C 39 19.300 18.051 1.249 1 1 197 . 14 1 1 A 16 16 ALA N N 39 125.600 119.005 6.595 1 1 198 . 14 1 1 A 17 17 GLY H H 40 8.510 8.458 0.052 1 1 199 . 14 1 1 A 17 17 GLY HA2 H 40 4.010 4.022 -0.012 1 1 200 . 14 1 1 A 17 17 GLY HA3 H 40 4.010 4.022 -0.012 1 1 201 . 14 1 1 A 17 17 GLY C C 40 174.600 173.178 1.422 1 1 202 . 14 1 1 A 17 17 GLY CA C 40 45.400 45.545 -0.145 1 1 203 . 14 1 1 A 17 17 GLY N N 40 108.500 108.217 0.283 1 1 204 . 14 1 1 A 18 18 THR H H 41 8.020 8.588 -0.568 1 1 205 . 14 1 1 A 18 18 THR HA H 41 4.320 4.237 0.083 1 1 210 . 14 1 1 A 18 18 THR C C 41 174.900 174.307 0.593 1 1 211 . 14 1 1 A 18 18 THR CA C 41 62.100 63.162 -1.062 1 1 212 . 14 1 1 A 18 18 THR CB C 41 69.900 69.121 0.779 1 1 214 . 14 1 1 A 18 18 THR N N 41 112.900 116.918 -4.018 1 1 215 . 14 1 1 A 19 19 GLU H H 42 8.630 8.789 -0.159 1 1 216 . 14 1 1 A 19 19 GLU HA H 42 4.300 4.309 -0.009 1 1 221 . 14 1 1 A 19 19 GLU C C 42 176.600 177.534 -0.934 1 1 222 . 14 1 1 A 19 19 GLU CA C 42 56.900 58.704 -1.804 1 1 223 . 14 1 1 A 19 19 GLU CB C 42 30.000 30.190 -0.190 1 1 225 . 14 1 1 A 19 19 GLU N N 42 123.000 127.756 -4.756 1 1 226 . 14 1 1 A 20 20 SER H H 43 8.330 7.887 0.443 1 1 227 . 14 1 1 A 20 20 SER HA H 43 4.400 4.629 -0.229 1 1 230 . 14 1 1 A 20 20 SER C C 43 174.300 174.572 -0.272 1 1 231 . 14 1 1 A 20 20 SER CA C 43 58.500 57.925 0.575 1 1 232 . 14 1 1 A 20 20 SER CB C 43 63.900 65.175 -1.275 1 1 233 . 14 1 1 A 20 20 SER N N 43 116.600 111.957 4.643 1 1 234 . 14 1 1 A 21 21 ALA H H 44 8.320 8.090 0.230 1 1 235 . 14 1 1 A 21 21 ALA HA H 44 4.300 3.964 0.336 1 1 239 . 14 1 1 A 21 21 ALA C C 44 177.700 177.225 0.475 1 1 240 . 14 1 1 A 21 21 ALA CA C 44 52.700 52.857 -0.157 1 1 241 . 14 1 1 A 21 21 ALA CB C 44 19.300 17.457 1.843 1 1 242 . 14 1 1 A 21 21 ALA N N 44 126.000 121.889 4.111 1 1 243 . 14 1 1 A 22 22 VAL H H 45 8.040 8.219 -0.179 1 1 244 . 14 1 1 A 22 22 VAL HA H 45 4.100 4.189 -0.089 1 1 252 . 14 1 1 A 22 22 VAL C C 45 176.100 176.376 -0.276 1 1 253 . 14 1 1 A 22 22 VAL CA C 45 62.300 64.445 -2.145 1 1 254 . 14 1 1 A 22 22 VAL CB C 45 32.700 32.793 -0.093 1 1 257 . 14 1 1 A 22 22 VAL N N 45 118.100 120.694 -2.594 1 1 258 . 14 1 1 A 23 23 SER H H 46 8.370 8.053 0.317 1 1 259 . 14 1 1 A 23 23 SER HA H 46 4.410 4.367 0.043 1 1 262 . 14 1 1 A 23 23 SER C C 46 174.900 174.044 0.856 1 1 263 . 14 1 1 A 23 23 SER CA C 46 58.500 58.990 -0.490 1 1 264 . 14 1 1 A 23 23 SER CB C 46 63.900 62.944 0.956 1 1 265 . 14 1 1 A 23 23 SER N N 46 119.100 117.449 1.651 1 1 266 . 14 1 1 A 24 24 GLY H H 47 8.370 8.443 -0.073 1 1 267 . 14 1 1 A 24 24 GLY HA2 H 47 3.950 3.954 -0.004 1 1 268 . 14 1 1 A 24 24 GLY HA3 H 47 3.950 3.970 -0.020 1 1 269 . 14 1 1 A 24 24 GLY C C 47 174.200 174.073 0.127 1 1 270 . 14 1 1 A 24 24 GLY CA C 47 45.400 45.827 -0.427 1 1 271 . 14 1 1 A 24 24 GLY N N 47 110.500 110.836 -0.336 1 1 272 . 14 1 1 A 25 25 VAL H H 48 7.980 7.673 0.307 1 1 273 . 14 1 1 A 25 25 VAL HA H 48 4.040 3.954 0.086 1 1 281 . 14 1 1 A 25 25 VAL C C 48 176.100 175.798 0.302 1 1 282 . 14 1 1 A 25 25 VAL CA C 48 62.200 62.568 -0.368 1 1 283 . 14 1 1 A 25 25 VAL CB C 48 32.500 32.054 0.446 1 1 286 . 14 1 1 A 25 25 VAL N N 48 118.100 119.303 -1.203 1 1 287 . 14 1 1 A 26 26 GLU H H 49 8.580 9.186 -0.606 1 1 288 . 14 1 1 A 26 26 GLU HA H 49 4.160 4.354 -0.194 1 1 293 . 14 1 1 A 26 26 GLU C C 49 176.900 176.424 0.476 1 1 294 . 14 1 1 A 26 26 GLU CA C 49 57.400 56.833 0.567 1 1 295 . 14 1 1 A 26 26 GLU CB C 49 29.800 31.538 -1.738 1 1 297 . 14 1 1 A 26 26 GLU N N 49 123.900 127.795 -3.895 1 1 298 . 14 1 1 A 27 27 GLY H H 50 8.330 7.936 0.394 1 1 299 . 14 1 1 A 27 27 GLY HA2 H 50 3.890 3.853 0.037 1 1 300 . 14 1 1 A 27 27 GLY HA3 H 50 3.830 3.860 -0.030 1 1 301 . 14 1 1 A 27 27 GLY C C 50 173.800 173.358 0.442 1 1 302 . 14 1 1 A 27 27 GLY CA C 50 45.200 45.981 -0.781 1 1 303 . 14 1 1 A 27 27 GLY N N 50 109.500 107.202 2.298 1 1 304 . 14 1 1 A 28 28 LEU H H 51 7.770 8.011 -0.241 1 1 305 . 14 1 1 A 28 28 LEU HA H 51 4.470 4.827 -0.357 1 1 315 . 14 1 1 A 28 28 LEU CA C 51 52.800 52.030 0.770 1 1 316 . 14 1 1 A 28 28 LEU CB C 51 42.200 41.897 0.303 1 1 320 . 14 1 1 A 28 28 LEU N N 51 123.000 122.035 0.965 1 1 321 . 14 1 1 A 29 29 PRO HA H 52 4.660 4.678 -0.018 1 1 328 . 14 1 1 A 29 29 PRO CA C 52 61.600 61.947 -0.347 1 1 329 . 14 1 1 A 29 29 PRO CB C 52 30.800 32.642 -1.842 1 1 332 . 14 1 1 A 30 30 PRO HA H 53 4.340 4.287 0.053 1 1 339 . 14 1 1 A 30 30 PRO C C 53 177.500 176.898 0.602 1 1 340 . 14 1 1 A 30 30 PRO CA C 53 63.500 63.737 -0.237 1 1 341 . 14 1 1 A 30 30 PRO CB C 53 32.000 31.571 0.429 1 1 344 . 14 1 1 A 31 31 GLY H H 54 8.690 8.562 0.128 1 1 345 . 14 1 1 A 31 31 GLY HA2 H 54 4.060 4.179 -0.119 1 1 346 . 14 1 1 A 31 31 GLY HA3 H 54 3.660 4.204 -0.544 1 1 347 . 14 1 1 A 31 31 GLY C C 54 172.900 173.323 -0.423 1 1 348 . 14 1 1 A 31 31 GLY CA C 54 45.400 45.925 -0.525 1 1 349 . 14 1 1 A 31 31 GLY N N 54 110.100 110.846 -0.746 1 1 350 . 14 1 1 A 32 32 LEU H H 55 7.510 8.333 -0.823 1 1 351 . 14 1 1 A 32 32 LEU HA H 55 4.960 5.301 -0.341 1 1 361 . 14 1 1 A 32 32 LEU C C 55 175.400 176.012 -0.612 1 1 362 . 14 1 1 A 32 32 LEU CA C 55 54.100 53.673 0.427 1 1 363 . 14 1 1 A 32 32 LEU CB C 55 44.400 44.163 0.237 1 1 367 . 14 1 1 A 32 32 LEU N N 55 119.300 122.889 -3.589 1 1 368 . 14 1 1 A 33 33 ALA H H 56 7.840 8.674 -0.834 1 1 369 . 14 1 1 A 33 33 ALA HA H 56 4.500 5.053 -0.553 1 1 373 . 14 1 1 A 33 33 ALA C C 56 178.200 175.133 3.067 1 1 374 . 14 1 1 A 33 33 ALA CA C 56 51.100 50.079 1.021 1 1 375 . 14 1 1 A 33 33 ALA CB C 56 23.900 23.225 0.675 1 1 376 . 14 1 1 A 33 33 ALA N N 56 121.800 120.695 1.105 1 1 377 . 14 1 1 A 34 34 LEU H H 57 8.640 8.069 0.571 1 1 378 . 14 1 1 A 34 34 LEU HA H 57 4.930 5.190 -0.260 1 1 388 . 14 1 1 A 34 34 LEU C C 57 174.400 175.666 -1.266 1 1 389 . 14 1 1 A 34 34 LEU CA C 57 53.400 53.415 -0.015 1 1 390 . 14 1 1 A 34 34 LEU CB C 57 47.300 45.296 2.004 1 1 394 . 14 1 1 A 34 34 LEU N N 57 119.200 117.506 1.694 1 1 395 . 14 1 1 A 35 35 LEU H H 58 8.640 8.725 -0.085 1 1 396 . 14 1 1 A 35 35 LEU HA H 58 5.440 5.072 0.368 1 1 406 . 14 1 1 A 35 35 LEU C C 58 176.200 175.763 0.437 1 1 407 . 14 1 1 A 35 35 LEU CA C 58 52.600 53.285 -0.685 1 1 408 . 14 1 1 A 35 35 LEU CB C 58 46.000 44.610 1.390 1 1 412 . 14 1 1 A 35 35 LEU N N 58 119.400 122.278 -2.878 1 1 413 . 14 1 1 A 36 36 VAL H H 59 8.960 8.900 0.060 1 1 414 . 14 1 1 A 36 36 VAL HA H 59 4.860 4.823 0.037 1 1 422 . 14 1 1 A 36 36 VAL C C 59 176.400 175.031 1.369 1 1 423 . 14 1 1 A 36 36 VAL CA C 59 59.900 60.068 -0.168 1 1 424 . 14 1 1 A 36 36 VAL CB C 59 34.600 34.756 -0.156 1 1 427 . 14 1 1 A 36 36 VAL N N 59 120.700 123.434 -2.734 1 1 428 . 14 1 1 A 37 37 VAL H H 60 8.830 8.618 0.212 1 1 429 . 14 1 1 A 37 37 VAL HA H 60 4.170 4.052 0.118 1 1 437 . 14 1 1 A 37 37 VAL C C 60 176.000 175.891 0.109 1 1 438 . 14 1 1 A 37 37 VAL CA C 60 63.900 63.818 0.082 1 1 439 . 14 1 1 A 37 37 VAL CB C 60 31.400 32.113 -0.713 1 1 442 . 14 1 1 A 37 37 VAL N N 60 125.700 126.883 -1.183 1 1 443 . 14 1 1 A 38 38 LYS H H 61 9.400 9.502 -0.102 1 1 444 . 14 1 1 A 38 38 LYS HA H 61 4.450 4.367 0.083 1 1 453 . 14 1 1 A 38 38 LYS C C 61 176.000 175.700 0.300 1 1 454 . 14 1 1 A 38 38 LYS CA C 61 56.900 57.451 -0.551 1 1 455 . 14 1 1 A 38 38 LYS CB C 61 34.200 34.008 0.192 1 1 459 . 14 1 1 A 38 38 LYS N N 61 131.900 128.691 3.209 1 1 460 . 14 1 1 A 39 39 ARG H H 62 7.990 7.514 0.476 1 1 461 . 14 1 1 A 39 39 ARG HA H 62 4.700 4.890 -0.190 1 1 469 . 14 1 1 A 39 39 ARG C C 62 173.600 174.818 -1.218 1 1 470 . 14 1 1 A 39 39 ARG CA C 62 55.100 55.416 -0.316 1 1 471 . 14 1 1 A 39 39 ARG CB C 62 34.100 34.173 -0.073 1 1 474 . 14 1 1 A 39 39 ARG N N 62 117.300 118.665 -1.365 1 1 476 . 14 1 1 A 40 40 GLY H H 63 8.480 8.475 0.005 1 1 477 . 14 1 1 A 40 40 GLY HA2 H 63 4.290 4.385 -0.095 1 1 478 . 14 1 1 A 40 40 GLY HA3 H 63 3.580 4.443 -0.863 1 1 479 . 14 1 1 A 40 40 GLY CA C 63 43.800 44.708 -0.908 1 1 480 . 14 1 1 A 40 40 GLY N N 63 110.800 112.485 -1.685 1 1 481 . 14 1 1 A 41 41 PRO HA H 64 4.300 4.476 -0.176 1 1 488 . 14 1 1 A 41 41 PRO C C 64 175.900 176.971 -1.071 1 1 489 . 14 1 1 A 41 41 PRO CA C 64 64.400 64.319 0.081 1 1 490 . 14 1 1 A 41 41 PRO CB C 64 31.500 31.871 -0.371 1 1 493 . 14 1 1 A 42 42 ASN H H 65 8.310 8.103 0.207 1 1 494 . 14 1 1 A 42 42 ASN HA H 65 4.770 4.887 -0.117 1 1 499 . 14 1 1 A 42 42 ASN C C 65 177.500 175.026 2.474 1 1 500 . 14 1 1 A 42 42 ASN CA C 65 52.100 52.485 -0.385 1 1 501 . 14 1 1 A 42 42 ASN CB C 65 36.700 38.661 -1.961 1 1 503 . 14 1 1 A 42 42 ASN N N 65 114.500 115.676 -1.176 1 1 505 . 14 1 1 A 43 43 ALA H H 66 7.470 7.170 0.300 1 1 506 . 14 1 1 A 43 43 ALA HA H 66 3.690 4.044 -0.354 1 1 510 . 14 1 1 A 43 43 ALA C C 66 177.800 178.471 -0.671 1 1 511 . 14 1 1 A 43 43 ALA CA C 66 54.200 53.914 0.286 1 1 512 . 14 1 1 A 43 43 ALA CB C 66 17.700 18.680 -0.980 1 1 513 . 14 1 1 A 43 43 ALA N N 66 122.100 122.350 -0.250 1 1 514 . 14 1 1 A 44 44 GLY H H 67 9.120 8.910 0.210 1 1 515 . 14 1 1 A 44 44 GLY HA2 H 67 4.440 3.975 0.465 1 1 516 . 14 1 1 A 44 44 GLY HA3 H 67 3.490 3.981 -0.491 1 1 517 . 14 1 1 A 44 44 GLY C C 67 174.900 174.358 0.542 1 1 518 . 14 1 1 A 44 44 GLY CA C 67 44.600 44.781 -0.181 1 1 519 . 14 1 1 A 44 44 GLY N N 67 111.800 110.827 0.973 1 1 520 . 14 1 1 A 45 45 SER H H 68 8.090 8.165 -0.075 1 1 521 . 14 1 1 A 45 45 SER HA H 68 4.280 4.287 -0.007 1 1 524 . 14 1 1 A 45 45 SER C C 68 171.500 173.662 -2.162 1 1 525 . 14 1 1 A 45 45 SER CA C 68 60.500 58.249 2.251 1 1 526 . 14 1 1 A 45 45 SER CB C 68 63.800 63.936 -0.136 1 1 527 . 14 1 1 A 45 45 SER N N 68 117.400 116.947 0.453 1 1 528 . 14 1 1 A 46 46 ARG H H 69 8.120 8.645 -0.525 1 1 529 . 14 1 1 A 46 46 ARG HA H 69 5.140 5.025 0.115 1 1 537 . 14 1 1 A 46 46 ARG C C 69 174.600 173.794 0.806 1 1 538 . 14 1 1 A 46 46 ARG CA C 69 54.200 53.989 0.211 1 1 539 . 14 1 1 A 46 46 ARG CB C 69 33.900 33.654 0.246 1 1 542 . 14 1 1 A 46 46 ARG N N 69 119.800 121.922 -2.122 1 1 544 . 14 1 1 A 47 47 PHE H H 70 9.180 9.029 0.151 1 1 545 . 14 1 1 A 47 47 PHE HA H 70 4.720 5.194 -0.474 1 1 553 . 14 1 1 A 47 47 PHE C C 70 173.900 174.321 -0.421 1 1 554 . 14 1 1 A 47 47 PHE CA C 70 56.400 56.419 -0.019 1 1 555 . 14 1 1 A 47 47 PHE CB C 70 41.500 41.574 -0.074 1 1 561 . 14 1 1 A 47 47 PHE N N 70 120.800 119.838 0.962 1 1 562 . 14 1 1 A 48 48 LEU H H 71 8.720 9.008 -0.288 1 1 563 . 14 1 1 A 48 48 LEU HA H 71 4.450 4.958 -0.508 1 1 573 . 14 1 1 A 48 48 LEU C C 71 176.300 175.712 0.588 1 1 574 . 14 1 1 A 48 48 LEU CA C 71 54.900 53.904 0.996 1 1 575 . 14 1 1 A 48 48 LEU CB C 71 43.200 44.717 -1.517 1 1 579 . 14 1 1 A 48 48 LEU N N 71 125.300 125.451 -0.151 1 1 580 . 14 1 1 A 49 49 LEU H H 72 8.730 8.462 0.268 1 1 581 . 14 1 1 A 49 49 LEU HA H 72 4.770 5.023 -0.253 1 1 591 . 14 1 1 A 49 49 LEU C C 72 174.800 176.267 -1.467 1 1 592 . 14 1 1 A 49 49 LEU CA C 72 53.200 54.091 -0.891 1 1 593 . 14 1 1 A 49 49 LEU CB C 72 40.900 43.429 -2.529 1 1 597 . 14 1 1 A 49 49 LEU N N 72 126.900 127.837 -0.937 1 1 598 . 14 1 1 A 50 50 ASP H H 73 8.350 8.450 -0.100 1 1 599 . 14 1 1 A 50 50 ASP HA H 73 4.790 5.022 -0.232 1 1 602 . 14 1 1 A 50 50 ASP C C 73 175.600 174.868 0.732 1 1 603 . 14 1 1 A 50 50 ASP CA C 73 53.000 53.450 -0.450 1 1 604 . 14 1 1 A 50 50 ASP CB C 73 41.400 41.758 -0.358 1 1 605 . 14 1 1 A 50 50 ASP N N 73 120.400 122.121 -1.721 1 1 606 . 14 1 1 A 51 51 GLN H H 74 7.670 7.586 0.084 1 1 607 . 14 1 1 A 51 51 GLN HA H 74 4.660 4.840 -0.180 1 1 614 . 14 1 1 A 51 51 GLN C C 74 175.400 173.762 1.638 1 1 615 . 14 1 1 A 51 51 GLN CA C 74 53.700 55.306 -1.606 1 1 616 . 14 1 1 A 51 51 GLN CB C 74 31.300 32.657 -1.357 1 1 619 . 14 1 1 A 51 51 GLN N N 74 116.200 119.672 -3.472 1 1 621 . 14 1 1 A 52 52 ALA H H 75 8.720 8.496 0.224 1 1 622 . 14 1 1 A 52 52 ALA HA H 75 4.170 4.289 -0.119 1 1 626 . 14 1 1 A 52 52 ALA C C 75 178.300 177.803 0.497 1 1 627 . 14 1 1 A 52 52 ALA CA C 75 55.700 52.738 2.962 1 1 628 . 14 1 1 A 52 52 ALA CB C 75 18.500 18.948 -0.448 1 1 629 . 14 1 1 A 52 52 ALA N N 75 123.200 126.244 -3.044 1 1 630 . 14 1 1 A 53 53 ILE H H 76 8.030 8.662 -0.632 1 1 631 . 14 1 1 A 53 53 ILE HA H 76 4.650 4.154 0.496 1 1 641 . 14 1 1 A 53 53 ILE C C 76 175.100 175.128 -0.028 1 1 642 . 14 1 1 A 53 53 ILE CA C 76 61.100 61.751 -0.651 1 1 643 . 14 1 1 A 53 53 ILE CB C 76 40.500 37.328 3.172 1 1 647 . 14 1 1 A 53 53 ILE N N 76 115.400 119.357 -3.957 1 1 648 . 14 1 1 A 54 54 THR H H 77 8.840 8.523 0.317 1 1 649 . 14 1 1 A 54 54 THR HA H 77 4.940 4.727 0.213 1 1 654 . 14 1 1 A 54 54 THR C C 77 174.600 173.539 1.061 1 1 655 . 14 1 1 A 54 54 THR CA C 77 61.400 62.069 -0.669 1 1 656 . 14 1 1 A 54 54 THR CB C 77 70.300 70.094 0.206 1 1 658 . 14 1 1 A 54 54 THR N N 77 125.300 122.937 2.363 1 1 659 . 14 1 1 A 55 55 SER H H 78 10.690 8.812 1.878 1 1 660 . 14 1 1 A 55 55 SER HA H 78 4.720 5.100 -0.380 1 1 663 . 14 1 1 A 55 55 SER C C 78 172.600 174.097 -1.497 1 1 664 . 14 1 1 A 55 55 SER CA C 78 57.800 57.554 0.246 1 1 665 . 14 1 1 A 55 55 SER CB C 78 65.200 64.017 1.183 1 1 666 . 14 1 1 A 55 55 SER N N 78 126.300 122.044 4.256 1 1 667 . 14 1 1 A 56 56 ALA H H 79 8.840 8.229 0.611 1 1 668 . 14 1 1 A 56 56 ALA HA H 79 5.720 4.745 0.975 1 1 672 . 14 1 1 A 56 56 ALA C C 79 175.800 177.637 -1.837 1 1 673 . 14 1 1 A 56 56 ALA CA C 79 49.800 51.149 -1.349 1 1 674 . 14 1 1 A 56 56 ALA CB C 79 21.900 20.990 0.910 1 1 675 . 14 1 1 A 56 56 ALA N N 79 123.200 126.117 -2.917 1 1 676 . 14 1 1 A 57 57 GLY H H 80 8.410 8.478 -0.068 1 1 677 . 14 1 1 A 57 57 GLY HA2 H 80 4.400 4.026 0.374 1 1 678 . 14 1 1 A 57 57 GLY HA3 H 80 3.970 4.085 -0.115 1 1 679 . 14 1 1 A 57 57 GLY C C 80 174.800 173.831 0.969 1 1 680 . 14 1 1 A 57 57 GLY CA C 80 46.300 46.154 0.146 1 1 681 . 14 1 1 A 57 57 GLY N N 80 108.700 106.751 1.949 1 1 682 . 14 1 1 A 58 58 ARG H H 81 8.330 8.359 -0.029 1 1 683 . 14 1 1 A 58 58 ARG HA H 81 4.440 4.995 -0.555 1 1 690 . 14 1 1 A 58 58 ARG C C 81 176.400 175.342 1.058 1 1 691 . 14 1 1 A 58 58 ARG CA C 81 54.700 55.257 -0.557 1 1 692 . 14 1 1 A 58 58 ARG CB C 81 32.300 31.131 1.169 1 1 695 . 14 1 1 A 58 58 ARG N N 81 120.400 123.838 -3.438 1 1 696 . 14 1 1 A 59 59 HIS H H 82 9.040 8.402 0.638 1 1 697 . 14 1 1 A 59 59 HIS HA H 82 4.280 5.194 -0.914 1 1 702 . 14 1 1 A 59 59 HIS CA C 82 56.800 53.020 3.780 1 1 703 . 14 1 1 A 59 59 HIS CB C 82 30.900 30.587 0.313 1 1 705 . 14 1 1 A 59 59 HIS N N 82 124.300 122.187 2.113 1 1 708 . 14 1 1 A 60 60 PRO HA H 83 3.640 4.187 -0.547 1 1 715 . 14 1 1 A 60 60 PRO C C 83 177.000 176.866 0.134 1 1 716 . 14 1 1 A 60 60 PRO CA C 83 64.800 63.881 0.919 1 1 717 . 14 1 1 A 60 60 PRO CB C 83 31.700 31.934 -0.234 1 1 720 . 14 1 1 A 61 61 ASP H H 84 11.140 8.749 2.391 1 1 721 . 14 1 1 A 61 61 ASP HA H 84 4.700 4.475 0.225 1 1 724 . 14 1 1 A 61 61 ASP C C 84 177.400 175.432 1.968 1 1 725 . 14 1 1 A 61 61 ASP CA C 84 53.900 55.663 -1.763 1 1 726 . 14 1 1 A 61 61 ASP CB C 84 40.500 40.399 0.101 1 1 727 . 14 1 1 A 61 61 ASP N N 84 121.600 123.103 -1.503 1 1 728 . 14 1 1 A 62 62 SER H H 85 8.190 7.761 0.429 1 1 729 . 14 1 1 A 62 62 SER HA H 85 4.030 4.525 -0.495 1 1 733 . 14 1 1 A 62 62 SER C C 85 173.400 175.033 -1.633 1 1 734 . 14 1 1 A 62 62 SER CA C 85 60.400 58.272 2.128 1 1 735 . 14 1 1 A 62 62 SER CB C 85 65.200 64.352 0.848 1 1 736 . 14 1 1 A 62 62 SER N N 85 118.100 115.928 2.172 1 1 737 . 14 1 1 A 63 63 ASP H H 86 8.270 8.710 -0.440 1 1 738 . 14 1 1 A 63 63 ASP HA H 86 4.390 4.515 -0.125 1 1 741 . 14 1 1 A 63 63 ASP C C 86 177.200 176.652 0.548 1 1 742 . 14 1 1 A 63 63 ASP CA C 86 58.300 57.842 0.458 1 1 743 . 14 1 1 A 63 63 ASP CB C 86 42.100 41.405 0.695 1 1 744 . 14 1 1 A 63 63 ASP N N 86 125.600 124.437 1.163 1 1 745 . 14 1 1 A 64 64 ILE H H 87 8.470 8.086 0.384 1 1 746 . 14 1 1 A 64 64 ILE HA H 87 3.560 4.034 -0.474 1 1 756 . 14 1 1 A 64 64 ILE C C 87 172.900 174.623 -1.723 1 1 757 . 14 1 1 A 64 64 ILE CA C 87 60.500 60.348 0.152 1 1 758 . 14 1 1 A 64 64 ILE CB C 87 37.400 38.749 -1.349 1 1 762 . 14 1 1 A 64 64 ILE N N 87 119.500 119.485 0.015 1 1 763 . 14 1 1 A 65 65 PHE H H 88 8.100 8.385 -0.285 1 1 764 . 14 1 1 A 65 65 PHE HA H 88 5.010 5.659 -0.649 1 1 772 . 14 1 1 A 65 65 PHE C C 88 174.000 173.810 0.190 1 1 773 . 14 1 1 A 65 65 PHE CA C 88 55.600 55.601 -0.001 1 1 774 . 14 1 1 A 65 65 PHE CB C 88 38.800 40.347 -1.547 1 1 779 . 14 1 1 A 65 65 PHE N N 88 127.100 123.939 3.161 1 1 780 . 14 1 1 A 66 66 LEU H H 89 7.710 9.151 -1.441 1 1 781 . 14 1 1 A 66 66 LEU HA H 89 3.620 4.622 -1.002 1 1 791 . 14 1 1 A 66 66 LEU C C 89 173.500 174.737 -1.237 1 1 792 . 14 1 1 A 66 66 LEU CA C 89 52.100 53.713 -1.613 1 1 793 . 14 1 1 A 66 66 LEU CB C 89 41.300 41.563 -0.263 1 1 797 . 14 1 1 A 66 66 LEU N N 89 131.900 126.540 5.360 1 1 798 . 14 1 1 A 67 67 ASP H H 90 7.980 8.702 -0.722 1 1 799 . 14 1 1 A 67 67 ASP HA H 90 4.260 4.977 -0.717 1 1 802 . 14 1 1 A 67 67 ASP C C 90 174.800 175.267 -0.467 1 1 803 . 14 1 1 A 67 67 ASP CA C 90 53.100 53.454 -0.354 1 1 804 . 14 1 1 A 67 67 ASP CB C 90 39.900 40.423 -0.523 1 1 805 . 14 1 1 A 67 67 ASP N N 90 120.000 125.420 -5.420 1 1 806 . 14 1 1 A 68 68 ASP H H 91 7.480 7.777 -0.297 1 1 807 . 14 1 1 A 68 68 ASP HA H 91 4.850 5.110 -0.260 1 1 810 . 14 1 1 A 68 68 ASP C C 91 175.600 176.264 -0.664 1 1 811 . 14 1 1 A 68 68 ASP CA C 91 54.900 53.083 1.817 1 1 812 . 14 1 1 A 68 68 ASP CB C 91 48.500 44.870 3.630 1 1 813 . 14 1 1 A 68 68 ASP N N 91 121.400 123.833 -2.433 1 1 814 . 14 1 1 A 69 69 VAL H H 92 8.370 8.686 -0.316 1 1 815 . 14 1 1 A 69 69 VAL HA H 92 4.060 3.947 0.113 1 1 823 . 14 1 1 A 69 69 VAL C C 92 175.900 177.305 -1.405 1 1 824 . 14 1 1 A 69 69 VAL CA C 92 64.800 65.373 -0.573 1 1 825 . 14 1 1 A 69 69 VAL CB C 92 31.700 31.843 -0.143 1 1 828 . 14 1 1 A 69 69 VAL N N 92 121.900 124.561 -2.661 1 1 829 . 14 1 1 A 70 70 THR H H 93 8.360 7.721 0.639 1 1 830 . 14 1 1 A 70 70 THR HA H 93 4.060 4.189 -0.129 1 1 836 . 14 1 1 A 70 70 THR C C 93 175.100 174.966 0.134 1 1 837 . 14 1 1 A 70 70 THR CA C 93 63.700 65.439 -1.739 1 1 838 . 14 1 1 A 70 70 THR CB C 93 70.300 68.670 1.630 1 1 840 . 14 1 1 A 70 70 THR N N 93 111.100 113.580 -2.480 1 1 841 . 14 1 1 A 71 71 VAL H H 94 8.240 7.705 0.535 1 1 842 . 14 1 1 A 71 71 VAL HA H 94 4.520 4.127 0.393 1 1 850 . 14 1 1 A 71 71 VAL C C 94 176.800 175.500 1.300 1 1 851 . 14 1 1 A 71 71 VAL CA C 94 61.200 61.695 -0.495 1 1 852 . 14 1 1 A 71 71 VAL CB C 94 33.500 32.492 1.008 1 1 855 . 14 1 1 A 71 71 VAL N N 94 125.500 123.907 1.593 1 1 856 . 14 1 1 A 72 72 SER H H 95 11.410 8.992 2.418 1 1 857 . 14 1 1 A 72 72 SER HA H 95 4.670 4.675 -0.005 1 1 860 . 14 1 1 A 72 72 SER C C 95 174.500 175.320 -0.820 1 1 861 . 14 1 1 A 72 72 SER CA C 95 60.600 56.930 3.670 1 1 862 . 14 1 1 A 72 72 SER CB C 95 64.200 65.125 -0.925 1 1 863 . 14 1 1 A 72 72 SER N N 95 126.800 122.044 4.756 1 1 864 . 14 1 1 A 73 73 ARG H H 96 9.260 8.554 0.706 1 1 865 . 14 1 1 A 73 73 ARG HA H 96 3.770 4.128 -0.358 1 1 873 . 14 1 1 A 73 73 ARG C C 96 176.600 176.714 -0.114 1 1 874 . 14 1 1 A 73 73 ARG CA C 96 61.300 59.042 2.258 1 1 875 . 14 1 1 A 73 73 ARG CB C 96 29.800 30.657 -0.857 1 1 878 . 14 1 1 A 73 73 ARG N N 96 124.600 123.947 0.653 1 1 880 . 14 1 1 A 74 74 ARG H H 97 7.800 7.961 -0.161 1 1 881 . 14 1 1 A 74 74 ARG HA H 97 4.440 4.710 -0.270 1 1 889 . 14 1 1 A 74 74 ARG C C 97 173.100 176.522 -3.422 1 1 890 . 14 1 1 A 74 74 ARG CA C 97 54.800 55.042 -0.242 1 1 891 . 14 1 1 A 74 74 ARG CB C 97 29.300 30.908 -1.608 1 1 894 . 14 1 1 A 74 74 ARG N N 97 114.800 116.848 -2.048 1 1 896 . 14 1 1 A 75 75 HIS H H 98 7.840 8.255 -0.415 1 1 897 . 14 1 1 A 75 75 HIS HA H 98 4.430 4.219 0.211 1 1 903 . 14 1 1 A 75 75 HIS C C 98 173.800 174.338 -0.538 1 1 904 . 14 1 1 A 75 75 HIS CA C 98 57.800 59.743 -1.943 1 1 905 . 14 1 1 A 75 75 HIS CB C 98 35.000 30.281 4.719 1 1 908 . 14 1 1 A 75 75 HIS N N 98 124.400 119.737 4.663 1 1 910 . 14 1 1 A 76 76 ALA H H 99 8.490 7.658 0.832 1 1 911 . 14 1 1 A 76 76 ALA HA H 99 5.580 4.589 0.991 1 1 915 . 14 1 1 A 76 76 ALA C C 99 176.500 174.915 1.585 1 1 916 . 14 1 1 A 76 76 ALA CA C 99 50.300 50.850 -0.550 1 1 917 . 14 1 1 A 76 76 ALA CB C 99 23.200 22.791 0.409 1 1 918 . 14 1 1 A 76 76 ALA N N 99 116.600 118.041 -1.441 1 1 919 . 14 1 1 A 77 77 GLU H H 100 9.030 8.336 0.694 1 1 920 . 14 1 1 A 77 77 GLU HA H 100 5.030 4.747 0.283 1 1 925 . 14 1 1 A 77 77 GLU C C 100 174.100 174.509 -0.409 1 1 926 . 14 1 1 A 77 77 GLU CA C 100 54.500 55.146 -0.646 1 1 927 . 14 1 1 A 77 77 GLU CB C 100 34.900 33.348 1.552 1 1 929 . 14 1 1 A 77 77 GLU N N 100 118.100 120.896 -2.796 1 1 930 . 14 1 1 A 78 78 PHE H H 101 9.400 8.855 0.545 1 1 931 . 14 1 1 A 78 78 PHE HA H 101 5.400 5.278 0.122 1 1 939 . 14 1 1 A 78 78 PHE C C 101 176.500 174.850 1.650 1 1 940 . 14 1 1 A 78 78 PHE CA C 101 56.700 57.175 -0.475 1 1 941 . 14 1 1 A 78 78 PHE CB C 101 41.000 41.820 -0.820 1 1 946 . 14 1 1 A 78 78 PHE N N 101 119.600 125.768 -6.168 1 1 947 . 14 1 1 A 79 79 ARG H H 102 9.720 9.081 0.639 1 1 948 . 14 1 1 A 79 79 ARG HA H 102 5.490 5.117 0.373 1 1 956 . 14 1 1 A 79 79 ARG C C 102 174.300 173.807 0.493 1 1 957 . 14 1 1 A 79 79 ARG CA C 102 54.800 54.447 0.353 1 1 958 . 14 1 1 A 79 79 ARG CB C 102 33.100 33.848 -0.748 1 1 961 . 14 1 1 A 79 79 ARG N N 102 126.100 121.904 4.196 1 1 963 . 14 1 1 A 80 80 LEU H H 103 9.020 8.819 0.201 1 1 964 . 14 1 1 A 80 80 LEU HA H 103 4.400 4.942 -0.542 1 1 974 . 14 1 1 A 80 80 LEU C C 103 176.100 175.325 0.775 1 1 975 . 14 1 1 A 80 80 LEU CA C 103 54.100 53.870 0.230 1 1 976 . 14 1 1 A 80 80 LEU CB C 103 42.600 43.815 -1.215 1 1 980 . 14 1 1 A 80 80 LEU N N 103 128.000 127.971 0.029 1 1 981 . 14 1 1 A 81 81 GLU H H 104 8.860 8.458 0.402 1 1 982 . 14 1 1 A 81 81 GLU HA H 104 4.430 4.427 0.003 1 1 987 . 14 1 1 A 81 81 GLU C C 104 175.800 176.501 -0.701 1 1 988 . 14 1 1 A 81 81 GLU CA C 104 55.500 55.283 0.217 1 1 989 . 14 1 1 A 81 81 GLU CB C 104 32.600 29.923 2.677 1 1 991 . 14 1 1 A 81 81 GLU N N 104 128.600 126.549 2.051 1 1 992 . 14 1 1 A 82 82 ASN H H 105 9.410 8.529 0.881 1 1 993 . 14 1 1 A 82 82 ASN HA H 105 4.200 4.441 -0.241 1 1 998 . 14 1 1 A 82 82 ASN C C 105 174.300 175.933 -1.633 1 1 999 . 14 1 1 A 82 82 ASN CA C 105 54.700 55.956 -1.256 1 1 1000 . 14 1 1 A 82 82 ASN CB C 105 37.200 38.910 -1.710 1 1 1002 . 14 1 1 A 82 82 ASN N N 105 124.600 120.430 4.170 1 1 1004 . 14 1 1 A 83 83 ASN H H 106 8.640 7.958 0.682 1 1 1005 . 14 1 1 A 83 83 ASN HA H 106 4.010 4.749 -0.739 1 1 1010 . 14 1 1 A 83 83 ASN C C 106 173.100 173.618 -0.518 1 1 1011 . 14 1 1 A 83 83 ASN CA C 106 54.900 52.519 2.381 1 1 1012 . 14 1 1 A 83 83 ASN CB C 106 38.100 39.629 -1.529 1 1 1014 . 14 1 1 A 83 83 ASN N N 106 108.900 114.743 -5.843 1 1 1016 . 14 1 1 A 84 84 GLU H H 107 7.660 7.803 -0.143 1 1 1017 . 14 1 1 A 84 84 GLU HA H 107 4.660 4.745 -0.085 1 1 1022 . 14 1 1 A 84 84 GLU C C 107 174.300 175.556 -1.256 1 1 1023 . 14 1 1 A 84 84 GLU CA C 107 54.700 54.483 0.217 1 1 1024 . 14 1 1 A 84 84 GLU CB C 107 32.900 32.490 0.410 1 1 1026 . 14 1 1 A 84 84 GLU N N 107 118.300 117.580 0.720 1 1 1027 . 14 1 1 A 85 85 PHE H H 108 9.690 8.747 0.943 1 1 1028 . 14 1 1 A 85 85 PHE HA H 108 5.000 4.774 0.226 1 1 1035 . 14 1 1 A 85 85 PHE C C 108 174.500 175.650 -1.150 1 1 1036 . 14 1 1 A 85 85 PHE CA C 108 58.600 58.477 0.123 1 1 1037 . 14 1 1 A 85 85 PHE CB C 108 41.800 40.271 1.529 1 1 1042 . 14 1 1 A 85 85 PHE N N 108 121.100 122.262 -1.162 1 1 1043 . 14 1 1 A 86 86 ASN H H 109 9.180 8.701 0.479 1 1 1044 . 14 1 1 A 86 86 ASN HA H 109 5.580 5.326 0.254 1 1 1049 . 14 1 1 A 86 86 ASN C C 109 175.000 173.502 1.498 1 1 1050 . 14 1 1 A 86 86 ASN CA C 109 51.200 52.279 -1.079 1 1 1051 . 14 1 1 A 86 86 ASN CB C 109 42.100 43.394 -1.294 1 1 1053 . 14 1 1 A 86 86 ASN N N 109 119.400 118.676 0.724 1 1 1055 . 14 1 1 A 87 87 VAL H H 110 9.060 8.745 0.315 1 1 1056 . 14 1 1 A 87 87 VAL HA H 110 4.940 5.006 -0.066 1 1 1064 . 14 1 1 A 87 87 VAL C C 110 171.700 173.690 -1.990 1 1 1065 . 14 1 1 A 87 87 VAL CA C 110 58.400 59.847 -1.447 1 1 1066 . 14 1 1 A 87 87 VAL CB C 110 33.800 35.071 -1.271 1 1 1069 . 14 1 1 A 87 87 VAL N N 110 121.300 120.055 1.245 1 1 1070 . 14 1 1 A 88 88 VAL H H 111 8.640 9.066 -0.426 1 1 1071 . 14 1 1 A 88 88 VAL HA H 111 4.590 4.629 -0.039 1 1 1079 . 14 1 1 A 88 88 VAL C C 111 175.700 173.807 1.893 1 1 1080 . 14 1 1 A 88 88 VAL CA C 111 60.100 60.658 -0.558 1 1 1081 . 14 1 1 A 88 88 VAL CB C 111 36.200 34.733 1.467 1 1 1084 . 14 1 1 A 88 88 VAL N N 111 125.500 128.198 -2.698 1 1 1085 . 14 1 1 A 89 89 ASP H H 112 8.480 8.573 -0.093 1 1 1086 . 14 1 1 A 89 89 ASP HA H 112 4.870 4.741 0.129 1 1 1089 . 14 1 1 A 89 89 ASP C C 112 177.200 175.298 1.902 1 1 1090 . 14 1 1 A 89 89 ASP CA C 112 54.700 52.805 1.895 1 1 1091 . 14 1 1 A 89 89 ASP CB C 112 43.600 41.737 1.863 1 1 1092 . 14 1 1 A 89 89 ASP N N 112 126.600 127.770 -1.170 1 1 1093 . 14 1 1 A 90 90 VAL H H 113 7.980 8.414 -0.434 1 1 1094 . 14 1 1 A 90 90 VAL HA H 113 4.540 4.101 0.439 1 1 1102 . 14 1 1 A 90 90 VAL C C 113 174.400 175.816 -1.416 1 1 1103 . 14 1 1 A 90 90 VAL CA C 113 60.300 62.615 -2.315 1 1 1104 . 14 1 1 A 90 90 VAL CB C 113 29.500 31.808 -2.308 1 1 1107 . 14 1 1 A 90 90 VAL N N 113 119.700 123.988 -4.288 1 1 1108 . 14 1 1 A 91 91 GLY H H 114 8.600 8.398 0.202 1 1 1109 . 14 1 1 A 91 91 GLY HA2 H 114 4.260 4.057 0.203 1 1 1110 . 14 1 1 A 91 91 GLY HA3 H 114 3.720 4.070 -0.350 1 1 1111 . 14 1 1 A 91 91 GLY C C 114 175.300 173.239 2.061 1 1 1112 . 14 1 1 A 91 91 GLY CA C 114 45.700 44.590 1.110 1 1 1113 . 14 1 1 A 91 91 GLY N N 114 111.300 111.944 -0.644 1 1 1114 . 14 1 1 A 92 92 SER H H 115 9.190 8.291 0.899 1 1 1115 . 14 1 1 A 92 92 SER HA H 115 3.890 4.732 -0.842 1 1 1118 . 14 1 1 A 92 92 SER C C 115 174.500 174.301 0.199 1 1 1119 . 14 1 1 A 92 92 SER CA C 115 58.600 57.338 1.262 1 1 1120 . 14 1 1 A 92 92 SER CB C 115 61.300 63.383 -2.083 1 1 1121 . 14 1 1 A 92 92 SER N N 115 121.000 114.250 6.750 1 1 1122 . 14 1 1 A 93 93 LEU H H 116 7.720 8.735 -1.015 1 1 1123 . 14 1 1 A 93 93 LEU HA H 116 4.250 4.116 0.134 1 1 1133 . 14 1 1 A 93 93 LEU C C 116 179.100 176.324 2.776 1 1 1134 . 14 1 1 A 93 93 LEU CA C 116 57.200 56.965 0.235 1 1 1135 . 14 1 1 A 93 93 LEU CB C 116 42.100 40.730 1.370 1 1 1139 . 14 1 1 A 93 93 LEU N N 116 120.500 120.584 -0.084 1 1 1140 . 14 1 1 A 94 94 ASN H H 117 8.450 8.434 0.016 1 1 1141 . 14 1 1 A 94 94 ASN HA H 117 4.870 4.813 0.057 1 1 1146 . 14 1 1 A 94 94 ASN C C 117 175.800 175.152 0.648 1 1 1147 . 14 1 1 A 94 94 ASN CA C 117 54.000 54.306 -0.306 1 1 1148 . 14 1 1 A 94 94 ASN CB C 117 40.100 39.361 0.739 1 1 1150 . 14 1 1 A 94 94 ASN N N 117 112.500 120.112 -7.612 1 1 1152 . 14 1 1 A 95 95 GLY H H 118 7.940 8.435 -0.495 1 1 1153 . 14 1 1 A 95 95 GLY HA2 H 118 4.190 4.204 -0.014 1 1 1154 . 14 1 1 A 95 95 GLY HA3 H 118 3.610 4.410 -0.800 1 1 1155 . 14 1 1 A 95 95 GLY C C 118 174.000 172.233 1.767 1 1 1156 . 14 1 1 A 95 95 GLY CA C 118 44.300 46.288 -1.988 1 1 1157 . 14 1 1 A 95 95 GLY N N 118 109.800 110.999 -1.199 1 1 1158 . 14 1 1 A 96 96 THR H H 119 8.940 8.690 0.250 1 1 1159 . 14 1 1 A 96 96 THR HA H 119 3.820 4.426 -0.606 1 1 1165 . 14 1 1 A 96 96 THR C C 119 172.300 174.080 -1.780 1 1 1166 . 14 1 1 A 96 96 THR CA C 119 64.100 63.176 0.924 1 1 1167 . 14 1 1 A 96 96 THR CB C 119 70.200 69.466 0.734 1 1 1169 . 14 1 1 A 96 96 THR N N 119 122.000 117.012 4.988 1 1 1170 . 14 1 1 A 97 97 TYR H H 120 8.220 8.401 -0.181 1 1 1171 . 14 1 1 A 97 97 TYR HA H 120 5.340 5.560 -0.220 1 1 1178 . 14 1 1 A 97 97 TYR C C 120 175.900 172.424 3.476 1 1 1179 . 14 1 1 A 97 97 TYR CA C 120 55.600 55.565 0.035 1 1 1180 . 14 1 1 A 97 97 TYR CB C 120 41.400 41.805 -0.405 1 1 1185 . 14 1 1 A 97 97 TYR N N 120 122.800 123.091 -0.291 1 1 1186 . 14 1 1 A 98 98 VAL H H 121 9.040 8.650 0.390 1 1 1187 . 14 1 1 A 98 98 VAL HA H 121 5.010 4.753 0.257 1 1 1195 . 14 1 1 A 98 98 VAL C C 121 176.900 175.164 1.736 1 1 1196 . 14 1 1 A 98 98 VAL CA C 121 61.100 59.632 1.468 1 1 1197 . 14 1 1 A 98 98 VAL CB C 121 33.000 34.476 -1.476 1 1 1200 . 14 1 1 A 98 98 VAL N N 121 121.400 121.418 -0.018 1 1 1201 . 14 1 1 A 99 99 ASN H H 122 10.100 9.599 0.501 1 1 1202 . 14 1 1 A 99 99 ASN HA H 122 4.440 4.485 -0.045 1 1 1207 . 14 1 1 A 99 99 ASN C C 122 174.500 174.505 -0.005 1 1 1208 . 14 1 1 A 99 99 ASN CA C 122 55.000 54.755 0.245 1 1 1209 . 14 1 1 A 99 99 ASN CB C 122 37.000 36.868 0.132 1 1 1211 . 14 1 1 A 99 99 ASN N N 122 129.400 128.163 1.237 1 1 1213 . 14 1 1 A 100 100 ARG H H 123 9.290 8.881 0.409 1 1 1214 . 14 1 1 A 100 100 ARG HA H 123 3.680 3.702 -0.022 1 1 1222 . 14 1 1 A 100 100 ARG C C 123 175.200 174.274 0.926 1 1 1223 . 14 1 1 A 100 100 ARG CA C 123 58.100 57.625 0.475 1 1 1224 . 14 1 1 A 100 100 ARG CB C 123 27.600 27.353 0.247 1 1 1227 . 14 1 1 A 100 100 ARG N N 123 106.100 108.922 -2.822 1 1 1229 . 14 1 1 A 101 101 GLU H H 124 7.970 8.187 -0.217 1 1 1230 . 14 1 1 A 101 101 GLU HA H 124 5.110 4.847 0.263 1 1 1235 . 14 1 1 A 101 101 GLU CA C 124 53.000 53.165 -0.165 1 1 1236 . 14 1 1 A 101 101 GLU CB C 124 30.900 31.452 -0.552 1 1 1238 . 14 1 1 A 101 101 GLU N N 124 121.300 119.113 2.187 1 1 1239 . 14 1 1 A 102 102 PRO HA H 125 4.050 4.535 -0.485 1 1 1246 . 14 1 1 A 102 102 PRO C C 125 177.500 175.403 2.097 1 1 1247 . 14 1 1 A 102 102 PRO CA C 125 62.300 63.532 -1.232 1 1 1248 . 14 1 1 A 102 102 PRO CB C 125 31.300 32.178 -0.878 1 1 1251 . 14 1 1 A 103 103 VAL H H 126 8.330 8.614 -0.284 1 1 1252 . 14 1 1 A 103 103 VAL HA H 126 4.700 4.693 0.007 1 1 1260 . 14 1 1 A 103 103 VAL C C 126 174.500 175.566 -1.066 1 1 1261 . 14 1 1 A 103 103 VAL CA C 126 58.900 59.924 -1.024 1 1 1262 . 14 1 1 A 103 103 VAL CB C 126 35.300 35.782 -0.482 1 1 1265 . 14 1 1 A 103 103 VAL N N 126 115.000 123.175 -8.175 1 1 1266 . 14 1 1 A 104 104 ASP H H 127 8.520 8.999 -0.479 1 1 1267 . 14 1 1 A 104 104 ASP HA H 127 4.780 4.446 0.334 1 1 1270 . 14 1 1 A 104 104 ASP C C 127 176.200 176.050 0.150 1 1 1271 . 14 1 1 A 104 104 ASP CA C 127 55.800 56.542 -0.742 1 1 1272 . 14 1 1 A 104 104 ASP CB C 127 41.100 41.487 -0.387 1 1 1273 . 14 1 1 A 104 104 ASP N N 127 120.800 127.523 -6.723 1 1 1274 . 14 1 1 A 105 105 SER H H 128 7.650 7.857 -0.207 1 1 1275 . 14 1 1 A 105 105 SER HA H 128 5.440 4.935 0.505 1 1 1278 . 14 1 1 A 105 105 SER C C 128 173.400 172.819 0.581 1 1 1279 . 14 1 1 A 105 105 SER CA C 128 56.600 57.561 -0.961 1 1 1280 . 14 1 1 A 105 105 SER CB C 128 65.000 65.592 -0.592 1 1 1281 . 14 1 1 A 105 105 SER N N 128 111.500 110.155 1.345 1 1 1282 . 14 1 1 A 106 106 ALA H H 129 8.790 8.109 0.681 1 1 1283 . 14 1 1 A 106 106 ALA HA H 129 4.610 4.915 -0.305 1 1 1287 . 14 1 1 A 106 106 ALA C C 129 175.300 176.144 -0.844 1 1 1288 . 14 1 1 A 106 106 ALA CA C 129 52.100 51.491 0.609 1 1 1289 . 14 1 1 A 106 106 ALA CB C 129 22.600 23.116 -0.516 1 1 1290 . 14 1 1 A 106 106 ALA N N 129 125.100 121.765 3.335 1 1 1291 . 14 1 1 A 107 107 VAL H H 130 8.340 8.731 -0.391 1 1 1292 . 14 1 1 A 107 107 VAL HA H 130 4.160 4.700 -0.540 1 1 1300 . 14 1 1 A 107 107 VAL C C 130 176.300 175.946 0.354 1 1 1301 . 14 1 1 A 107 107 VAL CA C 130 62.600 61.760 0.840 1 1 1302 . 14 1 1 A 107 107 VAL CB C 130 32.000 32.488 -0.488 1 1 1305 . 14 1 1 A 107 107 VAL N N 130 122.800 119.105 3.695 1 1 1306 . 14 1 1 A 108 108 LEU H H 131 8.490 8.446 0.044 1 1 1307 . 14 1 1 A 108 108 LEU HA H 131 4.370 4.475 -0.105 1 1 1317 . 14 1 1 A 108 108 LEU C C 131 175.200 176.099 -0.899 1 1 1318 . 14 1 1 A 108 108 LEU CA C 131 54.200 54.731 -0.531 1 1 1319 . 14 1 1 A 108 108 LEU CB C 131 43.000 42.059 0.941 1 1 1323 . 14 1 1 A 108 108 LEU N N 131 128.900 128.264 0.636 1 1 1324 . 14 1 1 A 109 109 ALA H H 132 9.130 9.142 -0.012 1 1 1325 . 14 1 1 A 109 109 ALA HA H 132 4.750 4.882 -0.132 1 1 1329 . 14 1 1 A 109 109 ALA C C 132 176.500 176.383 0.117 1 1 1330 . 14 1 1 A 109 109 ALA CA C 132 49.700 50.805 -1.105 1 1 1331 . 14 1 1 A 109 109 ALA CB C 132 22.400 23.328 -0.928 1 1 1332 . 14 1 1 A 109 109 ALA N N 132 126.000 121.596 4.404 1 1 1333 . 14 1 1 A 110 110 ASN H H 133 8.860 8.742 0.118 1 1 1334 . 14 1 1 A 110 110 ASN HA H 133 4.430 4.693 -0.263 1 1 1339 . 14 1 1 A 110 110 ASN C C 133 176.400 175.964 0.436 1 1 1340 . 14 1 1 A 110 110 ASN CA C 133 56.400 54.578 1.822 1 1 1341 . 14 1 1 A 110 110 ASN CB C 133 39.800 38.025 1.775 1 1 1343 . 14 1 1 A 110 110 ASN N N 133 117.600 117.544 0.056 1 1 1345 . 14 1 1 A 111 111 GLY H H 134 10.100 8.476 1.624 1 1 1346 . 14 1 1 A 111 111 GLY HA2 H 134 4.430 3.904 0.526 1 1 1347 . 14 1 1 A 111 111 GLY HA3 H 134 3.410 3.915 -0.505 1 1 1348 . 14 1 1 A 111 111 GLY C C 134 174.800 174.510 0.290 1 1 1349 . 14 1 1 A 111 111 GLY CA C 134 45.100 45.685 -0.585 1 1 1350 . 14 1 1 A 111 111 GLY N N 134 117.200 111.873 5.327 1 1 1351 . 14 1 1 A 112 112 ASP H H 135 8.640 7.946 0.694 1 1 1352 . 14 1 1 A 112 112 ASP HA H 135 4.430 4.842 -0.412 1 1 1355 . 14 1 1 A 112 112 ASP C C 135 174.700 175.208 -0.508 1 1 1356 . 14 1 1 A 112 112 ASP CA C 135 56.200 54.080 2.120 1 1 1357 . 14 1 1 A 112 112 ASP CB C 135 42.100 42.051 0.049 1 1 1358 . 14 1 1 A 112 112 ASP N N 135 122.900 120.873 2.027 1 1 1359 . 14 1 1 A 113 113 GLU H H 136 8.360 8.648 -0.288 1 1 1360 . 14 1 1 A 113 113 GLU HA H 136 5.220 5.111 0.109 1 1 1365 . 14 1 1 A 113 113 GLU C C 136 176.000 175.708 0.292 1 1 1366 . 14 1 1 A 113 113 GLU CA C 136 54.400 55.021 -0.621 1 1 1367 . 14 1 1 A 113 113 GLU CB C 136 32.900 31.550 1.350 1 1 1369 . 14 1 1 A 113 113 GLU N N 136 119.000 121.683 -2.683 1 1 1370 . 14 1 1 A 114 114 VAL H H 137 9.800 9.081 0.719 1 1 1371 . 14 1 1 A 114 114 VAL HA H 137 5.160 4.801 0.359 1 1 1379 . 14 1 1 A 114 114 VAL C C 137 174.400 174.412 -0.012 1 1 1380 . 14 1 1 A 114 114 VAL CA C 137 60.400 60.890 -0.490 1 1 1381 . 14 1 1 A 114 114 VAL CB C 137 34.300 34.872 -0.572 1 1 1384 . 14 1 1 A 114 114 VAL N N 137 129.000 124.355 4.645 1 1 1385 . 14 1 1 A 115 115 GLN H H 138 9.610 8.863 0.747 1 1 1386 . 14 1 1 A 115 115 GLN HA H 138 5.430 5.159 0.271 1 1 1393 . 14 1 1 A 115 115 GLN C C 138 174.800 174.117 0.683 1 1 1394 . 14 1 1 A 115 115 GLN CA C 138 54.500 54.016 0.484 1 1 1395 . 14 1 1 A 115 115 GLN CB C 138 30.700 32.003 -1.303 1 1 1398 . 14 1 1 A 115 115 GLN N N 138 129.300 127.470 1.830 1 1 1399 . 14 1 1 A 116 116 ILE H H 139 8.400 8.781 -0.381 1 1 1400 . 14 1 1 A 116 116 ILE HA H 139 4.020 4.543 -0.523 1 1 1410 . 14 1 1 A 116 116 ILE C C 139 174.500 176.562 -2.062 1 1 1411 . 14 1 1 A 116 116 ILE CA C 139 60.600 60.185 0.415 1 1 1412 . 14 1 1 A 116 116 ILE CB C 139 40.900 39.767 1.133 1 1 1416 . 14 1 1 A 116 116 ILE N N 139 128.300 127.760 0.540 1 1 1417 . 14 1 1 A 117 117 GLY H H 140 9.650 8.761 0.889 1 1 1418 . 14 1 1 A 117 117 GLY HA2 H 140 3.820 3.747 0.073 1 1 1419 . 14 1 1 A 117 117 GLY HA3 H 140 3.630 3.803 -0.173 1 1 1420 . 14 1 1 A 117 117 GLY C C 140 175.400 174.783 0.617 1 1 1421 . 14 1 1 A 117 117 GLY CA C 140 46.500 47.286 -0.786 1 1 1422 . 14 1 1 A 117 117 GLY N N 140 116.800 116.089 0.711 1 1 1423 . 14 1 1 A 118 118 LYS H H 141 7.960 8.329 -0.369 1 1 1424 . 14 1 1 A 118 118 LYS HA H 141 4.070 4.454 -0.384 1 1 1433 . 14 1 1 A 118 118 LYS C C 141 175.600 176.158 -0.558 1 1 1434 . 14 1 1 A 118 118 LYS CA C 141 56.700 56.175 0.525 1 1 1435 . 14 1 1 A 118 118 LYS CB C 141 32.600 34.504 -1.904 1 1 1439 . 14 1 1 A 118 118 LYS N N 141 122.400 123.987 -1.587 1 1 1440 . 14 1 1 A 119 119 PHE H H 142 8.260 7.596 0.664 1 1 1441 . 14 1 1 A 119 119 PHE HA H 142 4.540 4.619 -0.079 1 1 1449 . 14 1 1 A 119 119 PHE C C 142 174.700 176.530 -1.830 1 1 1450 . 14 1 1 A 119 119 PHE CA C 142 58.200 58.625 -0.425 1 1 1451 . 14 1 1 A 119 119 PHE CB C 142 39.900 40.283 -0.383 1 1 1456 . 14 1 1 A 119 119 PHE N N 142 119.500 120.461 -0.961 1 1 1457 . 14 1 1 A 120 120 ARG H H 143 8.690 8.698 -0.008 1 1 1458 . 14 1 1 A 120 120 ARG HA H 143 5.020 5.066 -0.046 1 1 1465 . 14 1 1 A 120 120 ARG C C 143 174.800 175.551 -0.751 1 1 1466 . 14 1 1 A 120 120 ARG CA C 143 55.100 55.009 0.091 1 1 1467 . 14 1 1 A 120 120 ARG CB C 143 32.800 32.953 -0.153 1 1 1470 . 14 1 1 A 120 120 ARG N N 143 121.500 121.998 -0.498 1 1 1471 . 14 1 1 A 121 121 LEU H H 144 9.760 9.296 0.464 1 1 1472 . 14 1 1 A 121 121 LEU HA H 144 5.420 5.142 0.278 1 1 1482 . 14 1 1 A 121 121 LEU C C 144 175.000 175.527 -0.527 1 1 1483 . 14 1 1 A 121 121 LEU CA C 144 53.900 53.356 0.544 1 1 1484 . 14 1 1 A 121 121 LEU CB C 144 44.900 46.302 -1.402 1 1 1488 . 14 1 1 A 121 121 LEU N N 144 126.400 124.974 1.426 1 1 1489 . 14 1 1 A 122 122 VAL H H 145 9.370 8.944 0.426 1 1 1490 . 14 1 1 A 122 122 VAL HA H 145 5.010 5.076 -0.066 1 1 1498 . 14 1 1 A 122 122 VAL C C 145 173.700 173.112 0.588 1 1 1499 . 14 1 1 A 122 122 VAL CA C 145 60.800 59.426 1.374 1 1 1500 . 14 1 1 A 122 122 VAL CB C 145 34.300 34.947 -0.647 1 1 1503 . 14 1 1 A 122 122 VAL N N 145 121.900 121.315 0.585 1 1 1504 . 14 1 1 A 123 123 PHE H H 146 8.830 9.031 -0.201 1 1 1505 . 14 1 1 A 123 123 PHE HA H 146 4.980 4.907 0.073 1 1 1513 . 14 1 1 A 123 123 PHE C C 146 172.700 173.957 -1.257 1 1 1514 . 14 1 1 A 123 123 PHE CA C 146 57.100 56.466 0.634 1 1 1515 . 14 1 1 A 123 123 PHE CB C 146 41.100 40.249 0.851 1 1 1521 . 14 1 1 A 123 123 PHE N N 146 128.700 130.105 -1.405 1 1 1522 . 14 1 1 A 124 124 LEU H H 147 8.650 8.201 0.449 1 1 1523 . 14 1 1 A 124 124 LEU HA H 147 5.020 4.889 0.131 1 1 1533 . 14 1 1 A 124 124 LEU C C 147 175.300 175.228 0.072 1 1 1534 . 14 1 1 A 124 124 LEU CA C 147 52.600 53.191 -0.591 1 1 1535 . 14 1 1 A 124 124 LEU CB C 147 45.600 45.899 -0.299 1 1 1539 . 14 1 1 A 124 124 LEU N N 147 128.000 128.434 -0.434 1 1 1540 . 14 1 1 A 125 125 THR H H 148 8.300 8.531 -0.231 1 1 1541 . 14 1 1 A 125 125 THR HA H 148 4.330 4.691 -0.361 1 1 1546 . 14 1 1 A 125 125 THR C C 148 173.900 174.745 -0.845 1 1 1547 . 14 1 1 A 125 125 THR CA C 148 60.200 59.310 0.890 1 1 1548 . 14 1 1 A 125 125 THR CB C 148 70.300 71.381 -1.081 1 1 1550 . 14 1 1 A 125 125 THR N N 148 110.600 114.645 -4.045 1 1 1551 . 14 1 1 A 126 126 GLY H H 149 8.310 8.515 -0.205 1 1 1552 . 14 1 1 A 126 126 GLY HA2 H 149 3.840 3.592 0.248 1 1 1553 . 14 1 1 A 126 126 GLY HA3 H 149 3.840 3.712 0.128 1 1 1554 . 14 1 1 A 126 126 GLY CA C 149 45.200 47.049 -1.849 1 1 1555 . 14 1 1 A 126 126 GLY N N 149 109.800 113.136 -3.336 1 1 1556 . 14 1 1 A 127 127 HIS H H 150 8.310 7.516 0.794 1 1 1557 . 14 1 1 A 127 127 HIS HA H 150 4.630 5.196 -0.566 1 1 1562 . 14 1 1 A 127 127 HIS C C 150 174.800 173.990 0.810 1 1 1563 . 14 1 1 A 127 127 HIS CA C 150 55.900 54.520 1.380 1 1 1564 . 14 1 1 A 127 127 HIS CB C 150 30.700 33.819 -3.119 1 1 1567 . 14 1 1 A 127 127 HIS N N 150 119.300 114.707 4.593 1 1 1570 . 14 1 1 A 128 128 LYS H H 151 8.490 8.802 -0.312 1 1 1571 . 14 1 1 A 128 128 LYS HA H 151 4.300 4.741 -0.441 1 1 1580 . 14 1 1 A 128 128 LYS C C 151 176.200 176.482 -0.282 1 1 1581 . 14 1 1 A 128 128 LYS CA C 151 56.100 54.816 1.284 1 1 1582 . 14 1 1 A 128 128 LYS CB C 151 33.200 34.862 -1.662 1 1 1586 . 14 1 1 A 128 128 LYS N N 151 123.800 121.208 2.592 1 1 1587 . 14 1 1 A 129 129 GLN H H 152 8.640 9.071 -0.431 1 1 1588 . 14 1 1 A 129 129 GLN HA H 152 4.270 4.453 -0.183 1 1 1595 . 14 1 1 A 129 129 GLN C C 152 176.500 176.248 0.252 1 1 1596 . 14 1 1 A 129 129 GLN CA C 152 56.400 56.559 -0.159 1 1 1597 . 14 1 1 A 129 129 GLN CB C 152 29.500 31.069 -1.569 1 1 1600 . 14 1 1 A 129 129 GLN N N 152 122.900 124.788 -1.888 1 1 1602 . 14 1 1 A 130 130 GLY H H 153 8.640 8.242 0.398 1 1 1603 . 14 1 1 A 130 130 GLY HA2 H 153 3.990 4.015 -0.025 1 1 1604 . 14 1 1 A 130 130 GLY HA3 H 153 3.910 4.015 -0.105 1 1 1605 . 14 1 1 A 130 130 GLY C C 153 174.100 174.330 -0.230 1 1 1606 . 14 1 1 A 130 130 GLY CA C 153 45.400 46.204 -0.804 1 1 1607 . 14 1 1 A 130 130 GLY N N 153 111.100 108.065 3.035 1 1 1608 . 14 1 1 A 131 131 GLU H H 154 8.220 8.072 0.148 1 1 1609 . 14 1 1 A 131 131 GLU HA H 154 4.260 4.417 -0.157 1 1 1614 . 14 1 1 A 131 131 GLU C C 154 176.100 176.295 -0.195 1 1 1615 . 14 1 1 A 131 131 GLU CA C 154 56.600 56.574 0.026 1 1 1616 . 14 1 1 A 131 131 GLU CB C 154 30.600 30.973 -0.373 1 1 1618 . 14 1 1 A 131 131 GLU N N 154 120.500 121.056 -0.556 1 1 1619 . 14 1 1 A 132 132 ASP H H 155 8.530 8.455 0.075 1 1 1620 . 14 1 1 A 132 132 ASP HA H 155 4.560 4.541 0.019 1 1 1623 . 14 1 1 A 132 132 ASP C C 155 176.300 175.896 0.404 1 1 1624 . 14 1 1 A 132 132 ASP CA C 155 54.300 54.081 0.219 1 1 1625 . 14 1 1 A 132 132 ASP CB C 155 41.000 41.046 -0.046 1 1 1626 . 14 1 1 A 132 132 ASP N N 155 121.300 122.495 -1.195 1 1 1627 . 14 1 1 A 133 133 LEU H H 156 8.230 8.355 -0.125 1 1 1628 . 14 1 1 A 133 133 LEU HA H 156 4.200 4.225 -0.025 1 1 1638 . 14 1 1 A 133 133 LEU C C 156 177.700 176.335 1.365 1 1 1639 . 14 1 1 A 133 133 LEU CA C 156 55.500 54.562 0.938 1 1 1640 . 14 1 1 A 133 133 LEU CB C 156 42.100 42.329 -0.229 1 1 1644 . 14 1 1 A 133 133 LEU N N 156 122.500 120.864 1.636 1 1 1645 . 14 1 1 A 134 134 GLU H H 157 8.270 8.699 -0.429 1 1 1646 . 14 1 1 A 134 134 GLU HA H 157 4.100 4.453 -0.353 1 1 1651 . 14 1 1 A 134 134 GLU C C 157 177.300 177.222 0.078 1 1 1652 . 14 1 1 A 134 134 GLU CA C 157 56.900 56.486 0.414 1 1 1653 . 14 1 1 A 134 134 GLU CB C 157 30.000 30.485 -0.485 1 1 1655 . 14 1 1 A 134 134 GLU N N 157 119.800 120.113 -0.313 1 1 1656 . 14 1 1 A 135 135 HIS H H 158 8.150 8.564 -0.414 1 1 1657 . 14 1 1 A 135 135 HIS HA H 158 4.530 4.294 0.236 1 1 1662 . 14 1 1 A 135 135 HIS CA C 158 56.100 59.136 -3.036 1 1 1663 . 14 1 1 A 135 135 HIS CB C 158 30.000 29.400 0.600 1 1 1664 . 14 1 1 A 135 135 HIS N N 158 118.500 121.463 -2.963 1 1 1665 . 14 1 1 A 139 139 HIS HA H 162 4.590 4.788 -0.198 1 1 1668 . 14 1 1 A 139 139 HIS C C 162 173.900 175.415 -1.515 1 1 1669 . 14 1 1 A 139 139 HIS CA C 162 55.900 55.484 0.416 1 1 1670 . 14 1 1 A 139 139 HIS CB C 162 30.100 30.638 -0.538 1 1 15 . 15 1 1 A 2 2 PHE H H 25 8.640 7.942 0.698 1 1 16 . 15 1 1 A 2 2 PHE HA H 25 4.630 4.493 0.137 1 1 24 . 15 1 1 A 2 2 PHE C C 25 175.000 175.465 -0.465 1 1 25 . 15 1 1 A 2 2 PHE CA C 25 58.000 58.747 -0.747 1 1 26 . 15 1 1 A 2 2 PHE CB C 25 39.700 39.797 -0.097 1 1 31 . 15 1 1 A 3 3 ARG H H 26 8.210 8.222 -0.012 1 1 32 . 15 1 1 A 3 3 ARG HA H 26 4.200 4.153 0.047 1 1 40 . 15 1 1 A 3 3 ARG C C 26 175.100 175.829 -0.729 1 1 41 . 15 1 1 A 3 3 ARG CA C 26 55.600 56.564 -0.964 1 1 42 . 15 1 1 A 3 3 ARG CB C 26 31.300 30.597 0.703 1 1 45 . 15 1 1 A 3 3 ARG N N 26 125.000 125.354 -0.354 1 1 47 . 15 1 1 A 4 4 ALA H H 27 8.260 8.629 -0.369 1 1 48 . 15 1 1 A 4 4 ALA HA H 27 4.090 4.429 -0.339 1 1 52 . 15 1 1 A 4 4 ALA C C 27 177.300 177.141 0.159 1 1 53 . 15 1 1 A 4 4 ALA CA C 27 52.800 53.289 -0.489 1 1 54 . 15 1 1 A 4 4 ALA CB C 27 19.200 21.338 -2.138 1 1 55 . 15 1 1 A 4 4 ALA N N 27 125.400 124.006 1.394 1 1 56 . 15 1 1 A 5 5 ASP H H 28 8.260 8.388 -0.128 1 1 57 . 15 1 1 A 5 5 ASP HA H 28 4.470 5.024 -0.554 1 1 60 . 15 1 1 A 5 5 ASP C C 28 176.200 175.549 0.651 1 1 61 . 15 1 1 A 5 5 ASP CA C 28 54.500 55.905 -1.405 1 1 62 . 15 1 1 A 5 5 ASP CB C 28 40.700 42.935 -2.235 1 1 63 . 15 1 1 A 5 5 ASP N N 28 118.200 116.489 1.711 1 1 64 . 15 1 1 A 6 6 PHE H H 29 7.930 8.076 -0.146 1 1 65 . 15 1 1 A 6 6 PHE HA H 29 4.510 4.430 0.080 1 1 73 . 15 1 1 A 6 6 PHE C C 29 175.700 175.696 0.004 1 1 74 . 15 1 1 A 6 6 PHE CA C 29 58.000 57.380 0.620 1 1 75 . 15 1 1 A 6 6 PHE CB C 29 39.300 40.229 -0.929 1 1 81 . 15 1 1 A 6 6 PHE N N 29 119.400 116.191 3.209 1 1 82 . 15 1 1 A 7 7 LEU H H 30 8.000 8.770 -0.770 1 1 83 . 15 1 1 A 7 7 LEU HA H 30 4.210 3.743 0.467 1 1 93 . 15 1 1 A 7 7 LEU C C 30 177.400 175.961 1.439 1 1 94 . 15 1 1 A 7 7 LEU CA C 30 55.400 57.317 -1.917 1 1 95 . 15 1 1 A 7 7 LEU CB C 30 42.200 40.106 2.094 1 1 99 . 15 1 1 A 7 7 LEU N N 30 122.100 118.532 3.568 1 1 100 . 15 1 1 A 8 8 SER H H 31 8.130 8.581 -0.451 1 1 101 . 15 1 1 A 8 8 SER HA H 31 4.330 4.336 -0.006 1 1 104 . 15 1 1 A 8 8 SER C C 31 174.900 173.970 0.930 1 1 105 . 15 1 1 A 8 8 SER CA C 31 58.800 59.453 -0.653 1 1 106 . 15 1 1 A 8 8 SER CB C 31 63.800 63.537 0.263 1 1 107 . 15 1 1 A 8 8 SER N N 31 116.000 113.707 2.293 1 1 108 . 15 1 1 A 9 9 GLU H H 32 8.380 8.999 -0.619 1 1 109 . 15 1 1 A 9 9 GLU HA H 32 4.240 4.438 -0.198 1 1 114 . 15 1 1 A 9 9 GLU C C 32 176.600 177.294 -0.694 1 1 115 . 15 1 1 A 9 9 GLU CA C 32 57.000 58.028 -1.028 1 1 116 . 15 1 1 A 9 9 GLU CB C 32 30.000 31.464 -1.464 1 1 118 . 15 1 1 A 9 9 GLU N N 32 122.200 124.617 -2.417 1 1 119 . 15 1 1 A 10 10 LEU H H 33 7.990 8.196 -0.206 1 1 120 . 15 1 1 A 10 10 LEU HA H 33 4.220 4.665 -0.445 1 1 130 . 15 1 1 A 10 10 LEU C C 33 177.100 176.158 0.942 1 1 131 . 15 1 1 A 10 10 LEU CA C 33 55.500 55.719 -0.219 1 1 132 . 15 1 1 A 10 10 LEU CB C 33 42.200 45.467 -3.267 1 1 136 . 15 1 1 A 10 10 LEU N N 33 121.200 120.205 0.995 1 1 137 . 15 1 1 A 11 11 ASP H H 34 8.090 7.703 0.387 1 1 138 . 15 1 1 A 11 11 ASP HA H 34 4.550 4.829 -0.279 1 1 141 . 15 1 1 A 11 11 ASP C C 34 175.400 176.181 -0.781 1 1 142 . 15 1 1 A 11 11 ASP CA C 34 54.200 54.135 0.065 1 1 143 . 15 1 1 A 11 11 ASP CB C 34 41.300 40.538 0.762 1 1 144 . 15 1 1 A 11 11 ASP N N 34 120.000 118.356 1.644 1 1 145 . 15 1 1 A 12 12 ALA H H 35 7.950 8.393 -0.443 1 1 146 . 15 1 1 A 12 12 ALA HA H 35 4.510 4.325 0.185 1 1 150 . 15 1 1 A 12 12 ALA CA C 35 50.800 53.489 -2.689 1 1 151 . 15 1 1 A 12 12 ALA CB C 35 18.300 20.395 -2.095 1 1 152 . 15 1 1 A 12 12 ALA N N 35 124.600 126.493 -1.893 1 1 153 . 15 1 1 A 13 13 PRO HA H 36 4.360 4.461 -0.101 1 1 160 . 15 1 1 A 13 13 PRO C C 36 176.900 176.960 -0.060 1 1 161 . 15 1 1 A 13 13 PRO CA C 36 63.200 62.801 0.399 1 1 162 . 15 1 1 A 13 13 PRO CB C 36 32.000 32.399 -0.399 1 1 165 . 15 1 1 A 14 14 ALA H H 37 8.390 8.337 0.053 1 1 166 . 15 1 1 A 14 14 ALA HA H 37 4.230 4.322 -0.092 1 1 170 . 15 1 1 A 14 14 ALA C C 37 177.900 178.262 -0.362 1 1 171 . 15 1 1 A 14 14 ALA CA C 37 52.600 53.027 -0.427 1 1 172 . 15 1 1 A 14 14 ALA CB C 37 19.300 19.725 -0.425 1 1 173 . 15 1 1 A 14 14 ALA N N 37 123.900 125.357 -1.457 1 1 174 . 15 1 1 A 15 15 GLN H H 38 8.330 7.729 0.601 1 1 175 . 15 1 1 A 15 15 GLN HA H 38 4.280 4.422 -0.142 1 1 182 . 15 1 1 A 15 15 GLN C C 38 175.800 176.449 -0.649 1 1 183 . 15 1 1 A 15 15 GLN CA C 38 55.700 55.660 0.040 1 1 184 . 15 1 1 A 15 15 GLN CB C 38 29.600 30.628 -1.028 1 1 187 . 15 1 1 A 15 15 GLN N N 38 119.300 113.347 5.953 1 1 189 . 15 1 1 A 16 16 ALA H H 39 8.410 8.035 0.375 1 1 190 . 15 1 1 A 16 16 ALA HA H 39 4.070 3.988 0.082 1 1 194 . 15 1 1 A 16 16 ALA C C 39 178.200 177.018 1.182 1 1 195 . 15 1 1 A 16 16 ALA CA C 39 52.800 53.368 -0.568 1 1 196 . 15 1 1 A 16 16 ALA CB C 39 19.300 17.676 1.624 1 1 197 . 15 1 1 A 16 16 ALA N N 39 125.600 119.784 5.816 1 1 198 . 15 1 1 A 17 17 GLY H H 40 8.510 8.501 0.009 1 1 199 . 15 1 1 A 17 17 GLY HA2 H 40 4.010 3.988 0.022 1 1 200 . 15 1 1 A 17 17 GLY HA3 H 40 4.010 3.990 0.020 1 1 201 . 15 1 1 A 17 17 GLY C C 40 174.600 172.377 2.223 1 1 202 . 15 1 1 A 17 17 GLY CA C 40 45.400 44.624 0.776 1 1 203 . 15 1 1 A 17 17 GLY N N 40 108.500 104.461 4.039 1 1 204 . 15 1 1 A 18 18 THR H H 41 8.020 8.414 -0.394 1 1 205 . 15 1 1 A 18 18 THR HA H 41 4.320 4.972 -0.652 1 1 210 . 15 1 1 A 18 18 THR C C 41 174.900 173.328 1.572 1 1 211 . 15 1 1 A 18 18 THR CA C 41 62.100 60.423 1.677 1 1 212 . 15 1 1 A 18 18 THR CB C 41 69.900 70.885 -0.985 1 1 214 . 15 1 1 A 18 18 THR N N 41 112.900 114.959 -2.059 1 1 215 . 15 1 1 A 19 19 GLU H H 42 8.630 8.913 -0.283 1 1 216 . 15 1 1 A 19 19 GLU HA H 42 4.300 4.917 -0.617 1 1 221 . 15 1 1 A 19 19 GLU C C 42 176.600 174.909 1.691 1 1 222 . 15 1 1 A 19 19 GLU CA C 42 56.900 55.310 1.590 1 1 223 . 15 1 1 A 19 19 GLU CB C 42 30.000 33.448 -3.448 1 1 225 . 15 1 1 A 19 19 GLU N N 42 123.000 126.653 -3.653 1 1 226 . 15 1 1 A 20 20 SER H H 43 8.330 9.039 -0.709 1 1 227 . 15 1 1 A 20 20 SER HA H 43 4.400 4.538 -0.138 1 1 230 . 15 1 1 A 20 20 SER C C 43 174.300 174.919 -0.619 1 1 231 . 15 1 1 A 20 20 SER CA C 43 58.500 59.098 -0.598 1 1 232 . 15 1 1 A 20 20 SER CB C 43 63.900 63.724 0.176 1 1 233 . 15 1 1 A 20 20 SER N N 43 116.600 120.588 -3.988 1 1 234 . 15 1 1 A 21 21 ALA H H 44 8.320 8.837 -0.517 1 1 235 . 15 1 1 A 21 21 ALA HA H 44 4.300 4.692 -0.392 1 1 239 . 15 1 1 A 21 21 ALA C C 44 177.700 178.184 -0.484 1 1 240 . 15 1 1 A 21 21 ALA CA C 44 52.700 51.480 1.220 1 1 241 . 15 1 1 A 21 21 ALA CB C 44 19.300 19.991 -0.691 1 1 242 . 15 1 1 A 21 21 ALA N N 44 126.000 125.808 0.192 1 1 243 . 15 1 1 A 22 22 VAL H H 45 8.040 7.820 0.220 1 1 244 . 15 1 1 A 22 22 VAL HA H 45 4.100 4.137 -0.037 1 1 252 . 15 1 1 A 22 22 VAL C C 45 176.100 175.764 0.336 1 1 253 . 15 1 1 A 22 22 VAL CA C 45 62.300 63.345 -1.045 1 1 254 . 15 1 1 A 22 22 VAL CB C 45 32.700 31.872 0.828 1 1 257 . 15 1 1 A 22 22 VAL N N 45 118.100 118.608 -0.508 1 1 258 . 15 1 1 A 23 23 SER H H 46 8.370 7.556 0.814 1 1 259 . 15 1 1 A 23 23 SER HA H 46 4.410 4.272 0.138 1 1 262 . 15 1 1 A 23 23 SER C C 46 174.900 174.280 0.620 1 1 263 . 15 1 1 A 23 23 SER CA C 46 58.500 59.368 -0.868 1 1 264 . 15 1 1 A 23 23 SER CB C 46 63.900 63.599 0.301 1 1 265 . 15 1 1 A 23 23 SER N N 46 119.100 117.111 1.989 1 1 266 . 15 1 1 A 24 24 GLY H H 47 8.370 8.352 0.018 1 1 267 . 15 1 1 A 24 24 GLY HA2 H 47 3.950 4.092 -0.142 1 1 268 . 15 1 1 A 24 24 GLY HA3 H 47 3.950 4.097 -0.147 1 1 269 . 15 1 1 A 24 24 GLY C C 47 174.200 174.871 -0.671 1 1 270 . 15 1 1 A 24 24 GLY CA C 47 45.400 46.103 -0.703 1 1 271 . 15 1 1 A 24 24 GLY N N 47 110.500 112.321 -1.821 1 1 272 . 15 1 1 A 25 25 VAL H H 48 7.980 7.947 0.033 1 1 273 . 15 1 1 A 25 25 VAL HA H 48 4.040 3.656 0.384 1 1 281 . 15 1 1 A 25 25 VAL C C 48 176.100 175.072 1.028 1 1 282 . 15 1 1 A 25 25 VAL CA C 48 62.200 65.177 -2.977 1 1 283 . 15 1 1 A 25 25 VAL CB C 48 32.500 29.391 3.109 1 1 286 . 15 1 1 A 25 25 VAL N N 48 118.100 116.225 1.875 1 1 287 . 15 1 1 A 26 26 GLU H H 49 8.580 9.101 -0.521 1 1 288 . 15 1 1 A 26 26 GLU HA H 49 4.160 4.156 0.004 1 1 293 . 15 1 1 A 26 26 GLU C C 49 176.900 177.395 -0.495 1 1 294 . 15 1 1 A 26 26 GLU CA C 49 57.400 58.504 -1.104 1 1 295 . 15 1 1 A 26 26 GLU CB C 49 29.800 29.602 0.198 1 1 297 . 15 1 1 A 26 26 GLU N N 49 123.900 122.555 1.345 1 1 298 . 15 1 1 A 27 27 GLY H H 50 8.330 9.108 -0.778 1 1 299 . 15 1 1 A 27 27 GLY HA2 H 50 3.890 3.843 0.047 1 1 300 . 15 1 1 A 27 27 GLY HA3 H 50 3.830 3.846 -0.016 1 1 301 . 15 1 1 A 27 27 GLY C C 50 173.800 173.957 -0.157 1 1 302 . 15 1 1 A 27 27 GLY CA C 50 45.200 46.947 -1.747 1 1 303 . 15 1 1 A 27 27 GLY N N 50 109.500 112.676 -3.176 1 1 304 . 15 1 1 A 28 28 LEU H H 51 7.770 7.851 -0.081 1 1 305 . 15 1 1 A 28 28 LEU HA H 51 4.470 4.843 -0.373 1 1 315 . 15 1 1 A 28 28 LEU CA C 51 52.800 52.089 0.711 1 1 316 . 15 1 1 A 28 28 LEU CB C 51 42.200 42.886 -0.686 1 1 320 . 15 1 1 A 28 28 LEU N N 51 123.000 124.314 -1.314 1 1 321 . 15 1 1 A 29 29 PRO HA H 52 4.660 4.669 -0.009 1 1 328 . 15 1 1 A 29 29 PRO CA C 52 61.600 61.761 -0.161 1 1 329 . 15 1 1 A 29 29 PRO CB C 52 30.800 32.566 -1.766 1 1 332 . 15 1 1 A 30 30 PRO HA H 53 4.340 4.282 0.058 1 1 339 . 15 1 1 A 30 30 PRO C C 53 177.500 177.272 0.228 1 1 340 . 15 1 1 A 30 30 PRO CA C 53 63.500 63.768 -0.268 1 1 341 . 15 1 1 A 30 30 PRO CB C 53 32.000 32.063 -0.063 1 1 344 . 15 1 1 A 31 31 GLY H H 54 8.690 8.948 -0.258 1 1 345 . 15 1 1 A 31 31 GLY HA2 H 54 4.060 3.913 0.147 1 1 346 . 15 1 1 A 31 31 GLY HA3 H 54 3.660 3.932 -0.272 1 1 347 . 15 1 1 A 31 31 GLY C C 54 172.900 173.653 -0.753 1 1 348 . 15 1 1 A 31 31 GLY CA C 54 45.400 45.339 0.061 1 1 349 . 15 1 1 A 31 31 GLY N N 54 110.100 111.483 -1.383 1 1 350 . 15 1 1 A 32 32 LEU H H 55 7.510 8.022 -0.512 1 1 351 . 15 1 1 A 32 32 LEU HA H 55 4.960 5.139 -0.179 1 1 361 . 15 1 1 A 32 32 LEU C C 55 175.400 175.939 -0.539 1 1 362 . 15 1 1 A 32 32 LEU CA C 55 54.100 53.056 1.044 1 1 363 . 15 1 1 A 32 32 LEU CB C 55 44.400 44.950 -0.550 1 1 367 . 15 1 1 A 32 32 LEU N N 55 119.300 122.773 -3.473 1 1 368 . 15 1 1 A 33 33 ALA H H 56 7.840 8.638 -0.798 1 1 369 . 15 1 1 A 33 33 ALA HA H 56 4.500 4.881 -0.381 1 1 373 . 15 1 1 A 33 33 ALA C C 56 178.200 175.268 2.932 1 1 374 . 15 1 1 A 33 33 ALA CA C 56 51.100 50.825 0.275 1 1 375 . 15 1 1 A 33 33 ALA CB C 56 23.900 23.572 0.328 1 1 376 . 15 1 1 A 33 33 ALA N N 56 121.800 122.852 -1.052 1 1 377 . 15 1 1 A 34 34 LEU H H 57 8.640 8.116 0.524 1 1 378 . 15 1 1 A 34 34 LEU HA H 57 4.930 4.856 0.074 1 1 388 . 15 1 1 A 34 34 LEU C C 57 174.400 175.741 -1.341 1 1 389 . 15 1 1 A 34 34 LEU CA C 57 53.400 53.524 -0.124 1 1 390 . 15 1 1 A 34 34 LEU CB C 57 47.300 45.000 2.300 1 1 394 . 15 1 1 A 34 34 LEU N N 57 119.200 119.487 -0.287 1 1 395 . 15 1 1 A 35 35 LEU H H 58 8.640 8.220 0.420 1 1 396 . 15 1 1 A 35 35 LEU HA H 58 5.440 5.189 0.251 1 1 406 . 15 1 1 A 35 35 LEU C C 58 176.200 175.923 0.277 1 1 407 . 15 1 1 A 35 35 LEU CA C 58 52.600 53.428 -0.828 1 1 408 . 15 1 1 A 35 35 LEU CB C 58 46.000 44.762 1.238 1 1 412 . 15 1 1 A 35 35 LEU N N 58 119.400 121.700 -2.300 1 1 413 . 15 1 1 A 36 36 VAL H H 59 8.960 8.810 0.150 1 1 414 . 15 1 1 A 36 36 VAL HA H 59 4.860 4.690 0.170 1 1 422 . 15 1 1 A 36 36 VAL C C 59 176.400 174.906 1.494 1 1 423 . 15 1 1 A 36 36 VAL CA C 59 59.900 60.109 -0.209 1 1 424 . 15 1 1 A 36 36 VAL CB C 59 34.600 35.054 -0.454 1 1 427 . 15 1 1 A 36 36 VAL N N 59 120.700 122.928 -2.228 1 1 428 . 15 1 1 A 37 37 VAL H H 60 8.830 8.578 0.252 1 1 429 . 15 1 1 A 37 37 VAL HA H 60 4.170 4.152 0.018 1 1 437 . 15 1 1 A 37 37 VAL C C 60 176.000 175.543 0.457 1 1 438 . 15 1 1 A 37 37 VAL CA C 60 63.900 63.445 0.455 1 1 439 . 15 1 1 A 37 37 VAL CB C 60 31.400 31.700 -0.300 1 1 442 . 15 1 1 A 37 37 VAL N N 60 125.700 126.793 -1.093 1 1 443 . 15 1 1 A 38 38 LYS H H 61 9.400 8.571 0.829 1 1 444 . 15 1 1 A 38 38 LYS HA H 61 4.450 4.277 0.173 1 1 453 . 15 1 1 A 38 38 LYS C C 61 176.000 176.137 -0.137 1 1 454 . 15 1 1 A 38 38 LYS CA C 61 56.900 58.356 -1.456 1 1 455 . 15 1 1 A 38 38 LYS CB C 61 34.200 32.809 1.391 1 1 459 . 15 1 1 A 38 38 LYS N N 61 131.900 127.307 4.593 1 1 460 . 15 1 1 A 39 39 ARG H H 62 7.990 7.986 0.004 1 1 461 . 15 1 1 A 39 39 ARG HA H 62 4.700 5.013 -0.313 1 1 469 . 15 1 1 A 39 39 ARG C C 62 173.600 175.019 -1.419 1 1 470 . 15 1 1 A 39 39 ARG CA C 62 55.100 54.521 0.579 1 1 471 . 15 1 1 A 39 39 ARG CB C 62 34.100 33.961 0.139 1 1 474 . 15 1 1 A 39 39 ARG N N 62 117.300 117.277 0.023 1 1 476 . 15 1 1 A 40 40 GLY H H 63 8.480 8.366 0.114 1 1 477 . 15 1 1 A 40 40 GLY HA2 H 63 4.290 4.240 0.050 1 1 478 . 15 1 1 A 40 40 GLY HA3 H 63 3.580 4.335 -0.755 1 1 479 . 15 1 1 A 40 40 GLY CA C 63 43.800 45.079 -1.279 1 1 480 . 15 1 1 A 40 40 GLY N N 63 110.800 111.259 -0.459 1 1 481 . 15 1 1 A 41 41 PRO HA H 64 4.300 4.414 -0.114 1 1 488 . 15 1 1 A 41 41 PRO C C 64 175.900 177.544 -1.644 1 1 489 . 15 1 1 A 41 41 PRO CA C 64 64.400 64.620 -0.220 1 1 490 . 15 1 1 A 41 41 PRO CB C 64 31.500 32.084 -0.584 1 1 493 . 15 1 1 A 42 42 ASN H H 65 8.310 8.713 -0.403 1 1 494 . 15 1 1 A 42 42 ASN HA H 65 4.770 4.826 -0.056 1 1 499 . 15 1 1 A 42 42 ASN C C 65 177.500 175.520 1.980 1 1 500 . 15 1 1 A 42 42 ASN CA C 65 52.100 52.310 -0.210 1 1 501 . 15 1 1 A 42 42 ASN CB C 65 36.700 37.853 -1.153 1 1 503 . 15 1 1 A 42 42 ASN N N 65 114.500 114.168 0.332 1 1 505 . 15 1 1 A 43 43 ALA H H 66 7.470 7.345 0.125 1 1 506 . 15 1 1 A 43 43 ALA HA H 66 3.690 4.095 -0.405 1 1 510 . 15 1 1 A 43 43 ALA C C 66 177.800 178.533 -0.733 1 1 511 . 15 1 1 A 43 43 ALA CA C 66 54.200 53.769 0.431 1 1 512 . 15 1 1 A 43 43 ALA CB C 66 17.700 18.890 -1.190 1 1 513 . 15 1 1 A 43 43 ALA N N 66 122.100 123.914 -1.814 1 1 514 . 15 1 1 A 44 44 GLY H H 67 9.120 8.829 0.291 1 1 515 . 15 1 1 A 44 44 GLY HA2 H 67 4.440 3.937 0.503 1 1 516 . 15 1 1 A 44 44 GLY HA3 H 67 3.490 3.940 -0.450 1 1 517 . 15 1 1 A 44 44 GLY C C 67 174.900 174.526 0.374 1 1 518 . 15 1 1 A 44 44 GLY CA C 67 44.600 45.145 -0.545 1 1 519 . 15 1 1 A 44 44 GLY N N 67 111.800 110.949 0.851 1 1 520 . 15 1 1 A 45 45 SER H H 68 8.090 7.658 0.432 1 1 521 . 15 1 1 A 45 45 SER HA H 68 4.280 4.338 -0.058 1 1 524 . 15 1 1 A 45 45 SER C C 68 171.500 172.952 -1.452 1 1 525 . 15 1 1 A 45 45 SER CA C 68 60.500 59.186 1.314 1 1 526 . 15 1 1 A 45 45 SER CB C 68 63.800 63.709 0.091 1 1 527 . 15 1 1 A 45 45 SER N N 68 117.400 118.373 -0.973 1 1 528 . 15 1 1 A 46 46 ARG H H 69 8.120 8.232 -0.112 1 1 529 . 15 1 1 A 46 46 ARG HA H 69 5.140 5.020 0.120 1 1 537 . 15 1 1 A 46 46 ARG C C 69 174.600 174.399 0.201 1 1 538 . 15 1 1 A 46 46 ARG CA C 69 54.200 53.935 0.265 1 1 539 . 15 1 1 A 46 46 ARG CB C 69 33.900 34.108 -0.208 1 1 542 . 15 1 1 A 46 46 ARG N N 69 119.800 122.832 -3.032 1 1 544 . 15 1 1 A 47 47 PHE H H 70 9.180 8.475 0.705 1 1 545 . 15 1 1 A 47 47 PHE HA H 70 4.720 4.916 -0.196 1 1 553 . 15 1 1 A 47 47 PHE C C 70 173.900 174.161 -0.261 1 1 554 . 15 1 1 A 47 47 PHE CA C 70 56.400 56.649 -0.249 1 1 555 . 15 1 1 A 47 47 PHE CB C 70 41.500 43.139 -1.639 1 1 561 . 15 1 1 A 47 47 PHE N N 70 120.800 120.892 -0.092 1 1 562 . 15 1 1 A 48 48 LEU H H 71 8.720 8.972 -0.252 1 1 563 . 15 1 1 A 48 48 LEU HA H 71 4.450 4.885 -0.435 1 1 573 . 15 1 1 A 48 48 LEU C C 71 176.300 174.910 1.390 1 1 574 . 15 1 1 A 48 48 LEU CA C 71 54.900 53.799 1.101 1 1 575 . 15 1 1 A 48 48 LEU CB C 71 43.200 44.425 -1.225 1 1 579 . 15 1 1 A 48 48 LEU N N 71 125.300 124.304 0.996 1 1 580 . 15 1 1 A 49 49 LEU H H 72 8.730 8.872 -0.142 1 1 581 . 15 1 1 A 49 49 LEU HA H 72 4.770 4.450 0.320 1 1 591 . 15 1 1 A 49 49 LEU C C 72 174.800 175.934 -1.134 1 1 592 . 15 1 1 A 49 49 LEU CA C 72 53.200 54.105 -0.905 1 1 593 . 15 1 1 A 49 49 LEU CB C 72 40.900 39.836 1.064 1 1 597 . 15 1 1 A 49 49 LEU N N 72 126.900 127.938 -1.038 1 1 598 . 15 1 1 A 50 50 ASP H H 73 8.350 8.634 -0.284 1 1 599 . 15 1 1 A 50 50 ASP HA H 73 4.790 4.930 -0.140 1 1 602 . 15 1 1 A 50 50 ASP C C 73 175.600 175.530 0.070 1 1 603 . 15 1 1 A 50 50 ASP CA C 73 53.000 52.947 0.053 1 1 604 . 15 1 1 A 50 50 ASP CB C 73 41.400 41.143 0.257 1 1 605 . 15 1 1 A 50 50 ASP N N 73 120.400 126.804 -6.404 1 1 606 . 15 1 1 A 51 51 GLN H H 74 7.670 7.621 0.049 1 1 607 . 15 1 1 A 51 51 GLN HA H 74 4.660 4.753 -0.093 1 1 614 . 15 1 1 A 51 51 GLN C C 74 175.400 176.314 -0.914 1 1 615 . 15 1 1 A 51 51 GLN CA C 74 53.700 53.966 -0.266 1 1 616 . 15 1 1 A 51 51 GLN CB C 74 31.300 31.998 -0.698 1 1 619 . 15 1 1 A 51 51 GLN N N 74 116.200 120.327 -4.127 1 1 621 . 15 1 1 A 52 52 ALA H H 75 8.720 8.798 -0.078 1 1 622 . 15 1 1 A 52 52 ALA HA H 75 4.170 4.195 -0.025 1 1 626 . 15 1 1 A 52 52 ALA C C 75 178.300 177.969 0.331 1 1 627 . 15 1 1 A 52 52 ALA CA C 75 55.700 54.824 0.876 1 1 628 . 15 1 1 A 52 52 ALA CB C 75 18.500 19.197 -0.697 1 1 629 . 15 1 1 A 52 52 ALA N N 75 123.200 126.873 -3.673 1 1 630 . 15 1 1 A 53 53 ILE H H 76 8.030 8.046 -0.016 1 1 631 . 15 1 1 A 53 53 ILE HA H 76 4.650 4.688 -0.038 1 1 641 . 15 1 1 A 53 53 ILE C C 76 175.100 174.742 0.358 1 1 642 . 15 1 1 A 53 53 ILE CA C 76 61.100 60.591 0.509 1 1 643 . 15 1 1 A 53 53 ILE CB C 76 40.500 39.104 1.396 1 1 647 . 15 1 1 A 53 53 ILE N N 76 115.400 117.610 -2.210 1 1 648 . 15 1 1 A 54 54 THR H H 77 8.840 8.920 -0.080 1 1 649 . 15 1 1 A 54 54 THR HA H 77 4.940 4.928 0.012 1 1 654 . 15 1 1 A 54 54 THR C C 77 174.600 173.516 1.084 1 1 655 . 15 1 1 A 54 54 THR CA C 77 61.400 61.551 -0.151 1 1 656 . 15 1 1 A 54 54 THR CB C 77 70.300 70.990 -0.690 1 1 658 . 15 1 1 A 54 54 THR N N 77 125.300 124.792 0.508 1 1 659 . 15 1 1 A 55 55 SER H H 78 10.690 8.648 2.042 1 1 660 . 15 1 1 A 55 55 SER HA H 78 4.720 5.036 -0.316 1 1 663 . 15 1 1 A 55 55 SER C C 78 172.600 173.382 -0.782 1 1 664 . 15 1 1 A 55 55 SER CA C 78 57.800 57.610 0.190 1 1 665 . 15 1 1 A 55 55 SER CB C 78 65.200 64.718 0.482 1 1 666 . 15 1 1 A 55 55 SER N N 78 126.300 123.238 3.062 1 1 667 . 15 1 1 A 56 56 ALA H H 79 8.840 8.068 0.772 1 1 668 . 15 1 1 A 56 56 ALA HA H 79 5.720 4.777 0.943 1 1 672 . 15 1 1 A 56 56 ALA C C 79 175.800 177.835 -2.035 1 1 673 . 15 1 1 A 56 56 ALA CA C 79 49.800 50.729 -0.929 1 1 674 . 15 1 1 A 56 56 ALA CB C 79 21.900 21.915 -0.015 1 1 675 . 15 1 1 A 56 56 ALA N N 79 123.200 125.053 -1.853 1 1 676 . 15 1 1 A 57 57 GLY H H 80 8.410 8.300 0.110 1 1 677 . 15 1 1 A 57 57 GLY HA2 H 80 4.400 3.869 0.531 1 1 678 . 15 1 1 A 57 57 GLY HA3 H 80 3.970 3.903 0.067 1 1 679 . 15 1 1 A 57 57 GLY C C 80 174.800 173.904 0.896 1 1 680 . 15 1 1 A 57 57 GLY CA C 80 46.300 47.008 -0.708 1 1 681 . 15 1 1 A 57 57 GLY N N 80 108.700 107.710 0.990 1 1 682 . 15 1 1 A 58 58 ARG H H 81 8.330 8.465 -0.135 1 1 683 . 15 1 1 A 58 58 ARG HA H 81 4.440 4.801 -0.361 1 1 690 . 15 1 1 A 58 58 ARG C C 81 176.400 175.528 0.872 1 1 691 . 15 1 1 A 58 58 ARG CA C 81 54.700 55.650 -0.950 1 1 692 . 15 1 1 A 58 58 ARG CB C 81 32.300 31.176 1.124 1 1 695 . 15 1 1 A 58 58 ARG N N 81 120.400 125.088 -4.688 1 1 696 . 15 1 1 A 59 59 HIS H H 82 9.040 8.505 0.535 1 1 697 . 15 1 1 A 59 59 HIS HA H 82 4.280 4.842 -0.562 1 1 702 . 15 1 1 A 59 59 HIS CA C 82 56.800 55.271 1.529 1 1 703 . 15 1 1 A 59 59 HIS CB C 82 30.900 31.268 -0.368 1 1 705 . 15 1 1 A 59 59 HIS N N 82 124.300 122.724 1.576 1 1 708 . 15 1 1 A 60 60 PRO HA H 83 3.640 4.497 -0.857 1 1 715 . 15 1 1 A 60 60 PRO C C 83 177.000 176.938 0.062 1 1 716 . 15 1 1 A 60 60 PRO CA C 83 64.800 64.041 0.759 1 1 717 . 15 1 1 A 60 60 PRO CB C 83 31.700 32.063 -0.363 1 1 720 . 15 1 1 A 61 61 ASP H H 84 11.140 9.116 2.024 1 1 721 . 15 1 1 A 61 61 ASP HA H 84 4.700 4.650 0.050 1 1 724 . 15 1 1 A 61 61 ASP C C 84 177.400 175.387 2.013 1 1 725 . 15 1 1 A 61 61 ASP CA C 84 53.900 55.797 -1.897 1 1 726 . 15 1 1 A 61 61 ASP CB C 84 40.500 40.537 -0.037 1 1 727 . 15 1 1 A 61 61 ASP N N 84 121.600 122.547 -0.947 1 1 728 . 15 1 1 A 62 62 SER H H 85 8.190 7.375 0.815 1 1 729 . 15 1 1 A 62 62 SER HA H 85 4.030 4.267 -0.237 1 1 733 . 15 1 1 A 62 62 SER C C 85 173.400 174.026 -0.626 1 1 734 . 15 1 1 A 62 62 SER CA C 85 60.400 58.656 1.744 1 1 735 . 15 1 1 A 62 62 SER CB C 85 65.200 63.758 1.442 1 1 736 . 15 1 1 A 62 62 SER N N 85 118.100 116.617 1.483 1 1 737 . 15 1 1 A 63 63 ASP H H 86 8.270 8.550 -0.280 1 1 738 . 15 1 1 A 63 63 ASP HA H 86 4.390 4.378 0.012 1 1 741 . 15 1 1 A 63 63 ASP C C 86 177.200 176.935 0.265 1 1 742 . 15 1 1 A 63 63 ASP CA C 86 58.300 57.375 0.925 1 1 743 . 15 1 1 A 63 63 ASP CB C 86 42.100 41.002 1.098 1 1 744 . 15 1 1 A 63 63 ASP N N 86 125.600 123.109 2.491 1 1 745 . 15 1 1 A 64 64 ILE H H 87 8.470 7.268 1.202 1 1 746 . 15 1 1 A 64 64 ILE HA H 87 3.560 2.779 0.781 1 1 756 . 15 1 1 A 64 64 ILE C C 87 172.900 174.554 -1.654 1 1 757 . 15 1 1 A 64 64 ILE CA C 87 60.500 60.785 -0.285 1 1 758 . 15 1 1 A 64 64 ILE CB C 87 37.400 37.854 -0.454 1 1 762 . 15 1 1 A 64 64 ILE N N 87 119.500 119.201 0.299 1 1 763 . 15 1 1 A 65 65 PHE H H 88 8.100 8.557 -0.457 1 1 764 . 15 1 1 A 65 65 PHE HA H 88 5.010 4.881 0.129 1 1 772 . 15 1 1 A 65 65 PHE C C 88 174.000 174.211 -0.211 1 1 773 . 15 1 1 A 65 65 PHE CA C 88 55.600 56.179 -0.579 1 1 774 . 15 1 1 A 65 65 PHE CB C 88 38.800 40.279 -1.479 1 1 779 . 15 1 1 A 65 65 PHE N N 88 127.100 126.831 0.269 1 1 780 . 15 1 1 A 66 66 LEU H H 89 7.710 8.680 -0.970 1 1 781 . 15 1 1 A 66 66 LEU HA H 89 3.620 4.691 -1.071 1 1 791 . 15 1 1 A 66 66 LEU C C 89 173.500 177.220 -3.720 1 1 792 . 15 1 1 A 66 66 LEU CA C 89 52.100 53.012 -0.912 1 1 793 . 15 1 1 A 66 66 LEU CB C 89 41.300 43.579 -2.279 1 1 797 . 15 1 1 A 66 66 LEU N N 89 131.900 125.065 6.835 1 1 798 . 15 1 1 A 67 67 ASP H H 90 7.980 8.951 -0.971 1 1 799 . 15 1 1 A 67 67 ASP HA H 90 4.260 4.419 -0.159 1 1 802 . 15 1 1 A 67 67 ASP C C 90 174.800 175.966 -1.166 1 1 803 . 15 1 1 A 67 67 ASP CA C 90 53.100 55.092 -1.992 1 1 804 . 15 1 1 A 67 67 ASP CB C 90 39.900 41.592 -1.692 1 1 805 . 15 1 1 A 67 67 ASP N N 90 120.000 124.048 -4.048 1 1 806 . 15 1 1 A 68 68 ASP H H 91 7.480 8.270 -0.790 1 1 807 . 15 1 1 A 68 68 ASP HA H 91 4.850 4.475 0.375 1 1 810 . 15 1 1 A 68 68 ASP C C 91 175.600 176.780 -1.180 1 1 811 . 15 1 1 A 68 68 ASP CA C 91 54.900 55.086 -0.186 1 1 812 . 15 1 1 A 68 68 ASP CB C 91 48.500 38.578 9.922 1 1 813 . 15 1 1 A 68 68 ASP N N 91 121.400 119.966 1.434 1 1 814 . 15 1 1 A 69 69 VAL H H 92 8.370 8.293 0.077 1 1 815 . 15 1 1 A 69 69 VAL HA H 92 4.060 4.039 0.021 1 1 823 . 15 1 1 A 69 69 VAL C C 92 175.900 176.411 -0.511 1 1 824 . 15 1 1 A 69 69 VAL CA C 92 64.800 65.001 -0.201 1 1 825 . 15 1 1 A 69 69 VAL CB C 92 31.700 31.682 0.018 1 1 828 . 15 1 1 A 69 69 VAL N N 92 121.900 119.144 2.756 1 1 829 . 15 1 1 A 70 70 THR H H 93 8.360 7.784 0.576 1 1 830 . 15 1 1 A 70 70 THR HA H 93 4.060 4.640 -0.580 1 1 836 . 15 1 1 A 70 70 THR C C 93 175.100 173.054 2.046 1 1 837 . 15 1 1 A 70 70 THR CA C 93 63.700 60.856 2.844 1 1 838 . 15 1 1 A 70 70 THR CB C 93 70.300 69.879 0.421 1 1 840 . 15 1 1 A 70 70 THR N N 93 111.100 109.256 1.844 1 1 841 . 15 1 1 A 71 71 VAL H H 94 8.240 7.604 0.636 1 1 842 . 15 1 1 A 71 71 VAL HA H 94 4.520 4.447 0.073 1 1 850 . 15 1 1 A 71 71 VAL C C 94 176.800 176.061 0.739 1 1 851 . 15 1 1 A 71 71 VAL CA C 94 61.200 60.863 0.337 1 1 852 . 15 1 1 A 71 71 VAL CB C 94 33.500 33.586 -0.086 1 1 855 . 15 1 1 A 71 71 VAL N N 94 125.500 123.063 2.437 1 1 856 . 15 1 1 A 72 72 SER H H 95 11.410 8.936 2.474 1 1 857 . 15 1 1 A 72 72 SER HA H 95 4.670 4.674 -0.004 1 1 860 . 15 1 1 A 72 72 SER C C 95 174.500 175.893 -1.393 1 1 861 . 15 1 1 A 72 72 SER CA C 95 60.600 57.802 2.798 1 1 862 . 15 1 1 A 72 72 SER CB C 95 64.200 64.657 -0.457 1 1 863 . 15 1 1 A 72 72 SER N N 95 126.800 122.495 4.305 1 1 864 . 15 1 1 A 73 73 ARG H H 96 9.260 8.658 0.602 1 1 865 . 15 1 1 A 73 73 ARG HA H 96 3.770 3.985 -0.215 1 1 873 . 15 1 1 A 73 73 ARG C C 96 176.600 176.978 -0.378 1 1 874 . 15 1 1 A 73 73 ARG CA C 96 61.300 59.465 1.835 1 1 875 . 15 1 1 A 73 73 ARG CB C 96 29.800 30.185 -0.385 1 1 878 . 15 1 1 A 73 73 ARG N N 96 124.600 120.291 4.309 1 1 880 . 15 1 1 A 74 74 ARG H H 97 7.800 7.831 -0.031 1 1 881 . 15 1 1 A 74 74 ARG HA H 97 4.440 4.502 -0.062 1 1 889 . 15 1 1 A 74 74 ARG C C 97 173.100 177.243 -4.143 1 1 890 . 15 1 1 A 74 74 ARG CA C 97 54.800 56.511 -1.711 1 1 891 . 15 1 1 A 74 74 ARG CB C 97 29.300 33.061 -3.761 1 1 894 . 15 1 1 A 74 74 ARG N N 97 114.800 116.472 -1.672 1 1 896 . 15 1 1 A 75 75 HIS H H 98 7.840 8.181 -0.341 1 1 897 . 15 1 1 A 75 75 HIS HA H 98 4.430 4.428 0.002 1 1 903 . 15 1 1 A 75 75 HIS C C 98 173.800 174.086 -0.286 1 1 904 . 15 1 1 A 75 75 HIS CA C 98 57.800 58.142 -0.342 1 1 905 . 15 1 1 A 75 75 HIS CB C 98 35.000 29.579 5.421 1 1 908 . 15 1 1 A 75 75 HIS N N 98 124.400 118.644 5.756 1 1 910 . 15 1 1 A 76 76 ALA H H 99 8.490 8.565 -0.075 1 1 911 . 15 1 1 A 76 76 ALA HA H 99 5.580 4.584 0.996 1 1 915 . 15 1 1 A 76 76 ALA C C 99 176.500 174.974 1.526 1 1 916 . 15 1 1 A 76 76 ALA CA C 99 50.300 50.776 -0.476 1 1 917 . 15 1 1 A 76 76 ALA CB C 99 23.200 23.302 -0.102 1 1 918 . 15 1 1 A 76 76 ALA N N 99 116.600 118.437 -1.837 1 1 919 . 15 1 1 A 77 77 GLU H H 100 9.030 8.479 0.551 1 1 920 . 15 1 1 A 77 77 GLU HA H 100 5.030 4.701 0.329 1 1 925 . 15 1 1 A 77 77 GLU C C 100 174.100 174.462 -0.362 1 1 926 . 15 1 1 A 77 77 GLU CA C 100 54.500 55.082 -0.582 1 1 927 . 15 1 1 A 77 77 GLU CB C 100 34.900 33.403 1.497 1 1 929 . 15 1 1 A 77 77 GLU N N 100 118.100 120.769 -2.669 1 1 930 . 15 1 1 A 78 78 PHE H H 101 9.400 8.882 0.518 1 1 931 . 15 1 1 A 78 78 PHE HA H 101 5.400 5.336 0.064 1 1 939 . 15 1 1 A 78 78 PHE C C 101 176.500 175.384 1.116 1 1 940 . 15 1 1 A 78 78 PHE CA C 101 56.700 57.031 -0.331 1 1 941 . 15 1 1 A 78 78 PHE CB C 101 41.000 41.642 -0.642 1 1 946 . 15 1 1 A 78 78 PHE N N 101 119.600 124.959 -5.359 1 1 947 . 15 1 1 A 79 79 ARG H H 102 9.720 8.835 0.885 1 1 948 . 15 1 1 A 79 79 ARG HA H 102 5.490 5.271 0.219 1 1 956 . 15 1 1 A 79 79 ARG C C 102 174.300 174.381 -0.081 1 1 957 . 15 1 1 A 79 79 ARG CA C 102 54.800 54.519 0.281 1 1 958 . 15 1 1 A 79 79 ARG CB C 102 33.100 34.342 -1.242 1 1 961 . 15 1 1 A 79 79 ARG N N 102 126.100 120.623 5.477 1 1 963 . 15 1 1 A 80 80 LEU H H 103 9.020 8.712 0.308 1 1 964 . 15 1 1 A 80 80 LEU HA H 103 4.400 5.032 -0.632 1 1 974 . 15 1 1 A 80 80 LEU C C 103 176.100 176.092 0.008 1 1 975 . 15 1 1 A 80 80 LEU CA C 103 54.100 53.455 0.645 1 1 976 . 15 1 1 A 80 80 LEU CB C 103 42.600 44.687 -2.087 1 1 980 . 15 1 1 A 80 80 LEU N N 103 128.000 125.262 2.738 1 1 981 . 15 1 1 A 81 81 GLU H H 104 8.860 8.670 0.190 1 1 982 . 15 1 1 A 81 81 GLU HA H 104 4.430 4.522 -0.092 1 1 987 . 15 1 1 A 81 81 GLU C C 104 175.800 176.625 -0.825 1 1 988 . 15 1 1 A 81 81 GLU CA C 104 55.500 56.641 -1.141 1 1 989 . 15 1 1 A 81 81 GLU CB C 104 32.600 32.086 0.514 1 1 991 . 15 1 1 A 81 81 GLU N N 104 128.600 122.905 5.695 1 1 992 . 15 1 1 A 82 82 ASN H H 105 9.410 7.835 1.575 1 1 993 . 15 1 1 A 82 82 ASN HA H 105 4.200 4.786 -0.586 1 1 998 . 15 1 1 A 82 82 ASN C C 105 174.300 174.830 -0.530 1 1 999 . 15 1 1 A 82 82 ASN CA C 105 54.700 52.871 1.829 1 1 1000 . 15 1 1 A 82 82 ASN CB C 105 37.200 38.248 -1.048 1 1 1002 . 15 1 1 A 82 82 ASN N N 105 124.600 116.614 7.986 1 1 1004 . 15 1 1 A 83 83 ASN H H 106 8.640 8.130 0.510 1 1 1005 . 15 1 1 A 83 83 ASN HA H 106 4.010 4.233 -0.223 1 1 1010 . 15 1 1 A 83 83 ASN C C 106 173.100 173.573 -0.473 1 1 1011 . 15 1 1 A 83 83 ASN CA C 106 54.900 54.559 0.341 1 1 1012 . 15 1 1 A 83 83 ASN CB C 106 38.100 38.135 -0.035 1 1 1014 . 15 1 1 A 83 83 ASN N N 106 108.900 115.598 -6.698 1 1 1016 . 15 1 1 A 84 84 GLU H H 107 7.660 7.671 -0.011 1 1 1017 . 15 1 1 A 84 84 GLU HA H 107 4.660 4.744 -0.084 1 1 1022 . 15 1 1 A 84 84 GLU C C 107 174.300 175.115 -0.815 1 1 1023 . 15 1 1 A 84 84 GLU CA C 107 54.700 54.529 0.171 1 1 1024 . 15 1 1 A 84 84 GLU CB C 107 32.900 34.002 -1.102 1 1 1026 . 15 1 1 A 84 84 GLU N N 107 118.300 118.372 -0.072 1 1 1027 . 15 1 1 A 85 85 PHE H H 108 9.690 8.795 0.895 1 1 1028 . 15 1 1 A 85 85 PHE HA H 108 5.000 4.700 0.300 1 1 1035 . 15 1 1 A 85 85 PHE C C 108 174.500 175.805 -1.305 1 1 1036 . 15 1 1 A 85 85 PHE CA C 108 58.600 59.236 -0.636 1 1 1037 . 15 1 1 A 85 85 PHE CB C 108 41.800 40.206 1.594 1 1 1042 . 15 1 1 A 85 85 PHE N N 108 121.100 120.212 0.888 1 1 1043 . 15 1 1 A 86 86 ASN H H 109 9.180 8.846 0.334 1 1 1044 . 15 1 1 A 86 86 ASN HA H 109 5.580 5.405 0.175 1 1 1049 . 15 1 1 A 86 86 ASN C C 109 175.000 173.171 1.829 1 1 1050 . 15 1 1 A 86 86 ASN CA C 109 51.200 51.872 -0.672 1 1 1051 . 15 1 1 A 86 86 ASN CB C 109 42.100 42.557 -0.457 1 1 1053 . 15 1 1 A 86 86 ASN N N 109 119.400 116.851 2.549 1 1 1055 . 15 1 1 A 87 87 VAL H H 110 9.060 8.910 0.150 1 1 1056 . 15 1 1 A 87 87 VAL HA H 110 4.940 5.129 -0.189 1 1 1064 . 15 1 1 A 87 87 VAL C C 110 171.700 173.567 -1.867 1 1 1065 . 15 1 1 A 87 87 VAL CA C 110 58.400 59.753 -1.353 1 1 1066 . 15 1 1 A 87 87 VAL CB C 110 33.800 35.273 -1.473 1 1 1069 . 15 1 1 A 87 87 VAL N N 110 121.300 120.022 1.278 1 1 1070 . 15 1 1 A 88 88 VAL H H 111 8.640 9.169 -0.529 1 1 1071 . 15 1 1 A 88 88 VAL HA H 111 4.590 4.511 0.079 1 1 1079 . 15 1 1 A 88 88 VAL C C 111 175.700 173.943 1.757 1 1 1080 . 15 1 1 A 88 88 VAL CA C 111 60.100 60.588 -0.488 1 1 1081 . 15 1 1 A 88 88 VAL CB C 111 36.200 34.942 1.258 1 1 1084 . 15 1 1 A 88 88 VAL N N 111 125.500 128.319 -2.819 1 1 1085 . 15 1 1 A 89 89 ASP H H 112 8.480 8.590 -0.110 1 1 1086 . 15 1 1 A 89 89 ASP HA H 112 4.870 4.696 0.174 1 1 1089 . 15 1 1 A 89 89 ASP C C 112 177.200 177.850 -0.650 1 1 1090 . 15 1 1 A 89 89 ASP CA C 112 54.700 54.174 0.526 1 1 1091 . 15 1 1 A 89 89 ASP CB C 112 43.600 42.492 1.108 1 1 1092 . 15 1 1 A 89 89 ASP N N 112 126.600 126.943 -0.343 1 1 1093 . 15 1 1 A 90 90 VAL H H 113 7.980 8.369 -0.389 1 1 1094 . 15 1 1 A 90 90 VAL HA H 113 4.540 4.405 0.135 1 1 1102 . 15 1 1 A 90 90 VAL C C 113 174.400 176.879 -2.479 1 1 1103 . 15 1 1 A 90 90 VAL CA C 113 60.300 61.743 -1.443 1 1 1104 . 15 1 1 A 90 90 VAL CB C 113 29.500 32.419 -2.919 1 1 1107 . 15 1 1 A 90 90 VAL N N 113 119.700 122.638 -2.938 1 1 1108 . 15 1 1 A 91 91 GLY H H 114 8.600 8.226 0.374 1 1 1109 . 15 1 1 A 91 91 GLY HA2 H 114 4.260 3.909 0.351 1 1 1110 . 15 1 1 A 91 91 GLY HA3 H 114 3.720 3.918 -0.198 1 1 1111 . 15 1 1 A 91 91 GLY C C 114 175.300 175.330 -0.030 1 1 1112 . 15 1 1 A 91 91 GLY CA C 114 45.700 46.071 -0.371 1 1 1113 . 15 1 1 A 91 91 GLY N N 114 111.300 111.668 -0.368 1 1 1114 . 15 1 1 A 92 92 SER H H 115 9.190 8.192 0.998 1 1 1115 . 15 1 1 A 92 92 SER HA H 115 3.890 4.225 -0.335 1 1 1118 . 15 1 1 A 92 92 SER C C 115 174.500 174.554 -0.054 1 1 1119 . 15 1 1 A 92 92 SER CA C 115 58.600 60.984 -2.384 1 1 1120 . 15 1 1 A 92 92 SER CB C 115 61.300 63.448 -2.148 1 1 1121 . 15 1 1 A 92 92 SER N N 115 121.000 114.650 6.350 1 1 1122 . 15 1 1 A 93 93 LEU H H 116 7.720 7.562 0.158 1 1 1123 . 15 1 1 A 93 93 LEU HA H 116 4.250 4.591 -0.341 1 1 1133 . 15 1 1 A 93 93 LEU C C 116 179.100 175.274 3.826 1 1 1134 . 15 1 1 A 93 93 LEU CA C 116 57.200 53.595 3.605 1 1 1135 . 15 1 1 A 93 93 LEU CB C 116 42.100 44.277 -2.177 1 1 1139 . 15 1 1 A 93 93 LEU N N 116 120.500 117.750 2.750 1 1 1140 . 15 1 1 A 94 94 ASN H H 117 8.450 8.688 -0.238 1 1 1141 . 15 1 1 A 94 94 ASN HA H 117 4.870 4.234 0.636 1 1 1146 . 15 1 1 A 94 94 ASN C C 117 175.800 174.972 0.828 1 1 1147 . 15 1 1 A 94 94 ASN CA C 117 54.000 53.840 0.160 1 1 1148 . 15 1 1 A 94 94 ASN CB C 117 40.100 37.149 2.951 1 1 1150 . 15 1 1 A 94 94 ASN N N 117 112.500 117.534 -5.034 1 1 1152 . 15 1 1 A 95 95 GLY H H 118 7.940 8.273 -0.333 1 1 1153 . 15 1 1 A 95 95 GLY HA2 H 118 4.190 3.911 0.279 1 1 1154 . 15 1 1 A 95 95 GLY HA3 H 118 3.610 3.958 -0.348 1 1 1155 . 15 1 1 A 95 95 GLY C C 118 174.000 173.266 0.734 1 1 1156 . 15 1 1 A 95 95 GLY CA C 118 44.300 45.630 -1.330 1 1 1157 . 15 1 1 A 95 95 GLY N N 118 109.800 110.605 -0.805 1 1 1158 . 15 1 1 A 96 96 THR H H 119 8.940 8.371 0.569 1 1 1159 . 15 1 1 A 96 96 THR HA H 119 3.820 4.594 -0.774 1 1 1165 . 15 1 1 A 96 96 THR C C 119 172.300 173.520 -1.220 1 1 1166 . 15 1 1 A 96 96 THR CA C 119 64.100 62.452 1.648 1 1 1167 . 15 1 1 A 96 96 THR CB C 119 70.200 70.172 0.028 1 1 1169 . 15 1 1 A 96 96 THR N N 119 122.000 116.841 5.159 1 1 1170 . 15 1 1 A 97 97 TYR H H 120 8.220 8.320 -0.100 1 1 1171 . 15 1 1 A 97 97 TYR HA H 120 5.340 5.553 -0.213 1 1 1178 . 15 1 1 A 97 97 TYR C C 120 175.900 172.246 3.654 1 1 1179 . 15 1 1 A 97 97 TYR CA C 120 55.600 55.781 -0.181 1 1 1180 . 15 1 1 A 97 97 TYR CB C 120 41.400 42.050 -0.650 1 1 1185 . 15 1 1 A 97 97 TYR N N 120 122.800 119.407 3.393 1 1 1186 . 15 1 1 A 98 98 VAL H H 121 9.040 8.809 0.231 1 1 1187 . 15 1 1 A 98 98 VAL HA H 121 5.010 4.856 0.154 1 1 1195 . 15 1 1 A 98 98 VAL C C 121 176.900 175.594 1.306 1 1 1196 . 15 1 1 A 98 98 VAL CA C 121 61.100 59.708 1.392 1 1 1197 . 15 1 1 A 98 98 VAL CB C 121 33.000 34.371 -1.371 1 1 1200 . 15 1 1 A 98 98 VAL N N 121 121.400 120.690 0.710 1 1 1201 . 15 1 1 A 99 99 ASN H H 122 10.100 9.116 0.984 1 1 1202 . 15 1 1 A 99 99 ASN HA H 122 4.440 4.439 0.001 1 1 1207 . 15 1 1 A 99 99 ASN C C 122 174.500 175.336 -0.836 1 1 1208 . 15 1 1 A 99 99 ASN CA C 122 55.000 55.546 -0.546 1 1 1209 . 15 1 1 A 99 99 ASN CB C 122 37.000 37.268 -0.268 1 1 1211 . 15 1 1 A 99 99 ASN N N 122 129.400 123.867 5.533 1 1 1213 . 15 1 1 A 100 100 ARG H H 123 9.290 8.399 0.891 1 1 1214 . 15 1 1 A 100 100 ARG HA H 123 3.680 4.580 -0.900 1 1 1222 . 15 1 1 A 100 100 ARG C C 123 175.200 175.582 -0.382 1 1 1223 . 15 1 1 A 100 100 ARG CA C 123 58.100 55.306 2.794 1 1 1224 . 15 1 1 A 100 100 ARG CB C 123 27.600 30.661 -3.061 1 1 1227 . 15 1 1 A 100 100 ARG N N 123 106.100 119.940 -13.840 1 1 1229 . 15 1 1 A 101 101 GLU H H 124 7.970 8.198 -0.228 1 1 1230 . 15 1 1 A 101 101 GLU HA H 124 5.110 4.845 0.265 1 1 1235 . 15 1 1 A 101 101 GLU CA C 124 53.000 53.981 -0.981 1 1 1236 . 15 1 1 A 101 101 GLU CB C 124 30.900 30.553 0.347 1 1 1238 . 15 1 1 A 101 101 GLU N N 124 121.300 120.582 0.718 1 1 1239 . 15 1 1 A 102 102 PRO HA H 125 4.050 4.638 -0.588 1 1 1246 . 15 1 1 A 102 102 PRO C C 125 177.500 176.400 1.100 1 1 1247 . 15 1 1 A 102 102 PRO CA C 125 62.300 63.338 -1.038 1 1 1248 . 15 1 1 A 102 102 PRO CB C 125 31.300 32.155 -0.855 1 1 1251 . 15 1 1 A 103 103 VAL H H 126 8.330 8.180 0.150 1 1 1252 . 15 1 1 A 103 103 VAL HA H 126 4.700 4.749 -0.049 1 1 1260 . 15 1 1 A 103 103 VAL C C 126 174.500 175.503 -1.003 1 1 1261 . 15 1 1 A 103 103 VAL CA C 126 58.900 59.773 -0.873 1 1 1262 . 15 1 1 A 103 103 VAL CB C 126 35.300 35.505 -0.205 1 1 1265 . 15 1 1 A 103 103 VAL N N 126 115.000 116.873 -1.873 1 1 1266 . 15 1 1 A 104 104 ASP H H 127 8.520 8.946 -0.426 1 1 1267 . 15 1 1 A 104 104 ASP HA H 127 4.780 4.428 0.352 1 1 1270 . 15 1 1 A 104 104 ASP C C 127 176.200 175.659 0.541 1 1 1271 . 15 1 1 A 104 104 ASP CA C 127 55.800 56.699 -0.899 1 1 1272 . 15 1 1 A 104 104 ASP CB C 127 41.100 41.361 -0.261 1 1 1273 . 15 1 1 A 104 104 ASP N N 127 120.800 121.975 -1.175 1 1 1274 . 15 1 1 A 105 105 SER H H 128 7.650 7.703 -0.053 1 1 1275 . 15 1 1 A 105 105 SER HA H 128 5.440 4.829 0.611 1 1 1278 . 15 1 1 A 105 105 SER C C 128 173.400 172.267 1.133 1 1 1279 . 15 1 1 A 105 105 SER CA C 128 56.600 57.440 -0.840 1 1 1280 . 15 1 1 A 105 105 SER CB C 128 65.000 65.061 -0.061 1 1 1281 . 15 1 1 A 105 105 SER N N 128 111.500 112.561 -1.061 1 1 1282 . 15 1 1 A 106 106 ALA H H 129 8.790 8.054 0.736 1 1 1283 . 15 1 1 A 106 106 ALA HA H 129 4.610 4.972 -0.362 1 1 1287 . 15 1 1 A 106 106 ALA C C 129 175.300 176.191 -0.891 1 1 1288 . 15 1 1 A 106 106 ALA CA C 129 52.100 51.209 0.891 1 1 1289 . 15 1 1 A 106 106 ALA CB C 129 22.600 23.387 -0.787 1 1 1290 . 15 1 1 A 106 106 ALA N N 129 125.100 124.198 0.902 1 1 1291 . 15 1 1 A 107 107 VAL H H 130 8.340 8.707 -0.367 1 1 1292 . 15 1 1 A 107 107 VAL HA H 130 4.160 4.317 -0.157 1 1 1300 . 15 1 1 A 107 107 VAL C C 130 176.300 175.994 0.306 1 1 1301 . 15 1 1 A 107 107 VAL CA C 130 62.600 61.972 0.628 1 1 1302 . 15 1 1 A 107 107 VAL CB C 130 32.000 32.382 -0.382 1 1 1305 . 15 1 1 A 107 107 VAL N N 130 122.800 119.414 3.386 1 1 1306 . 15 1 1 A 108 108 LEU H H 131 8.490 8.555 -0.065 1 1 1307 . 15 1 1 A 108 108 LEU HA H 131 4.370 4.276 0.094 1 1 1317 . 15 1 1 A 108 108 LEU C C 131 175.200 175.840 -0.640 1 1 1318 . 15 1 1 A 108 108 LEU CA C 131 54.200 54.361 -0.161 1 1 1319 . 15 1 1 A 108 108 LEU CB C 131 43.000 41.786 1.214 1 1 1323 . 15 1 1 A 108 108 LEU N N 131 128.900 128.223 0.677 1 1 1324 . 15 1 1 A 109 109 ALA H H 132 9.130 8.426 0.704 1 1 1325 . 15 1 1 A 109 109 ALA HA H 132 4.750 4.731 0.019 1 1 1329 . 15 1 1 A 109 109 ALA C C 132 176.500 175.528 0.972 1 1 1330 . 15 1 1 A 109 109 ALA CA C 132 49.700 50.631 -0.931 1 1 1331 . 15 1 1 A 109 109 ALA CB C 132 22.400 23.110 -0.710 1 1 1332 . 15 1 1 A 109 109 ALA N N 132 126.000 122.434 3.566 1 1 1333 . 15 1 1 A 110 110 ASN H H 133 8.860 8.759 0.101 1 1 1334 . 15 1 1 A 110 110 ASN HA H 133 4.430 4.588 -0.158 1 1 1339 . 15 1 1 A 110 110 ASN C C 133 176.400 176.503 -0.103 1 1 1340 . 15 1 1 A 110 110 ASN CA C 133 56.400 55.089 1.311 1 1 1341 . 15 1 1 A 110 110 ASN CB C 133 39.800 38.214 1.586 1 1 1343 . 15 1 1 A 110 110 ASN N N 133 117.600 120.190 -2.590 1 1 1345 . 15 1 1 A 111 111 GLY H H 134 10.100 9.161 0.939 1 1 1346 . 15 1 1 A 111 111 GLY HA2 H 134 4.430 3.898 0.532 1 1 1347 . 15 1 1 A 111 111 GLY HA3 H 134 3.410 3.943 -0.533 1 1 1348 . 15 1 1 A 111 111 GLY C C 134 174.800 173.905 0.895 1 1 1349 . 15 1 1 A 111 111 GLY CA C 134 45.100 45.617 -0.517 1 1 1350 . 15 1 1 A 111 111 GLY N N 134 117.200 114.105 3.095 1 1 1351 . 15 1 1 A 112 112 ASP H H 135 8.640 7.847 0.793 1 1 1352 . 15 1 1 A 112 112 ASP HA H 135 4.430 4.888 -0.458 1 1 1355 . 15 1 1 A 112 112 ASP C C 135 174.700 175.595 -0.895 1 1 1356 . 15 1 1 A 112 112 ASP CA C 135 56.200 53.614 2.586 1 1 1357 . 15 1 1 A 112 112 ASP CB C 135 42.100 42.278 -0.178 1 1 1358 . 15 1 1 A 112 112 ASP N N 135 122.900 120.735 2.165 1 1 1359 . 15 1 1 A 113 113 GLU H H 136 8.360 8.612 -0.252 1 1 1360 . 15 1 1 A 113 113 GLU HA H 136 5.220 5.156 0.064 1 1 1365 . 15 1 1 A 113 113 GLU C C 136 176.000 175.507 0.493 1 1 1366 . 15 1 1 A 113 113 GLU CA C 136 54.400 55.024 -0.624 1 1 1367 . 15 1 1 A 113 113 GLU CB C 136 32.900 32.869 0.031 1 1 1369 . 15 1 1 A 113 113 GLU N N 136 119.000 120.821 -1.821 1 1 1370 . 15 1 1 A 114 114 VAL H H 137 9.800 8.841 0.959 1 1 1371 . 15 1 1 A 114 114 VAL HA H 137 5.160 4.845 0.315 1 1 1379 . 15 1 1 A 114 114 VAL C C 137 174.400 174.507 -0.107 1 1 1380 . 15 1 1 A 114 114 VAL CA C 137 60.400 60.927 -0.527 1 1 1381 . 15 1 1 A 114 114 VAL CB C 137 34.300 34.893 -0.593 1 1 1384 . 15 1 1 A 114 114 VAL N N 137 129.000 123.404 5.596 1 1 1385 . 15 1 1 A 115 115 GLN H H 138 9.610 8.946 0.664 1 1 1386 . 15 1 1 A 115 115 GLN HA H 138 5.430 5.050 0.380 1 1 1393 . 15 1 1 A 115 115 GLN C C 138 174.800 174.561 0.239 1 1 1394 . 15 1 1 A 115 115 GLN CA C 138 54.500 54.142 0.358 1 1 1395 . 15 1 1 A 115 115 GLN CB C 138 30.700 31.258 -0.558 1 1 1398 . 15 1 1 A 115 115 GLN N N 138 129.300 127.541 1.759 1 1 1399 . 15 1 1 A 116 116 ILE H H 139 8.400 8.488 -0.088 1 1 1400 . 15 1 1 A 116 116 ILE HA H 139 4.020 4.286 -0.266 1 1 1410 . 15 1 1 A 116 116 ILE C C 139 174.500 176.317 -1.817 1 1 1411 . 15 1 1 A 116 116 ILE CA C 139 60.600 59.852 0.748 1 1 1412 . 15 1 1 A 116 116 ILE CB C 139 40.900 40.401 0.499 1 1 1416 . 15 1 1 A 116 116 ILE N N 139 128.300 127.085 1.215 1 1 1417 . 15 1 1 A 117 117 GLY H H 140 9.650 9.056 0.594 1 1 1418 . 15 1 1 A 117 117 GLY HA2 H 140 3.820 3.635 0.185 1 1 1419 . 15 1 1 A 117 117 GLY HA3 H 140 3.630 3.721 -0.091 1 1 1420 . 15 1 1 A 117 117 GLY C C 140 175.400 174.401 0.999 1 1 1421 . 15 1 1 A 117 117 GLY CA C 140 46.500 46.959 -0.459 1 1 1422 . 15 1 1 A 117 117 GLY N N 140 116.800 116.777 0.023 1 1 1423 . 15 1 1 A 118 118 LYS H H 141 7.960 8.470 -0.510 1 1 1424 . 15 1 1 A 118 118 LYS HA H 141 4.070 4.220 -0.150 1 1 1433 . 15 1 1 A 118 118 LYS C C 141 175.600 175.700 -0.100 1 1 1434 . 15 1 1 A 118 118 LYS CA C 141 56.700 58.359 -1.659 1 1 1435 . 15 1 1 A 118 118 LYS CB C 141 32.600 32.074 0.526 1 1 1439 . 15 1 1 A 118 118 LYS N N 141 122.400 116.303 6.097 1 1 1440 . 15 1 1 A 119 119 PHE H H 142 8.260 8.679 -0.419 1 1 1441 . 15 1 1 A 119 119 PHE HA H 142 4.540 4.421 0.119 1 1 1449 . 15 1 1 A 119 119 PHE C C 142 174.700 175.733 -1.033 1 1 1450 . 15 1 1 A 119 119 PHE CA C 142 58.200 59.379 -1.179 1 1 1451 . 15 1 1 A 119 119 PHE CB C 142 39.900 39.700 0.200 1 1 1456 . 15 1 1 A 119 119 PHE N N 142 119.500 119.404 0.096 1 1 1457 . 15 1 1 A 120 120 ARG H H 143 8.690 8.796 -0.106 1 1 1458 . 15 1 1 A 120 120 ARG HA H 143 5.020 4.919 0.101 1 1 1465 . 15 1 1 A 120 120 ARG C C 143 174.800 175.611 -0.811 1 1 1466 . 15 1 1 A 120 120 ARG CA C 143 55.100 55.470 -0.370 1 1 1467 . 15 1 1 A 120 120 ARG CB C 143 32.800 32.548 0.252 1 1 1470 . 15 1 1 A 120 120 ARG N N 143 121.500 124.720 -3.220 1 1 1471 . 15 1 1 A 121 121 LEU H H 144 9.760 8.776 0.984 1 1 1472 . 15 1 1 A 121 121 LEU HA H 144 5.420 5.105 0.315 1 1 1482 . 15 1 1 A 121 121 LEU C C 144 175.000 175.514 -0.514 1 1 1483 . 15 1 1 A 121 121 LEU CA C 144 53.900 53.425 0.475 1 1 1484 . 15 1 1 A 121 121 LEU CB C 144 44.900 46.384 -1.484 1 1 1488 . 15 1 1 A 121 121 LEU N N 144 126.400 125.184 1.216 1 1 1489 . 15 1 1 A 122 122 VAL H H 145 9.370 8.795 0.575 1 1 1490 . 15 1 1 A 122 122 VAL HA H 145 5.010 5.110 -0.100 1 1 1498 . 15 1 1 A 122 122 VAL C C 145 173.700 173.134 0.566 1 1 1499 . 15 1 1 A 122 122 VAL CA C 145 60.800 59.526 1.274 1 1 1500 . 15 1 1 A 122 122 VAL CB C 145 34.300 35.414 -1.114 1 1 1503 . 15 1 1 A 122 122 VAL N N 145 121.900 120.645 1.255 1 1 1504 . 15 1 1 A 123 123 PHE H H 146 8.830 9.113 -0.283 1 1 1505 . 15 1 1 A 123 123 PHE HA H 146 4.980 4.793 0.187 1 1 1513 . 15 1 1 A 123 123 PHE C C 146 172.700 173.981 -1.281 1 1 1514 . 15 1 1 A 123 123 PHE CA C 146 57.100 56.519 0.581 1 1 1515 . 15 1 1 A 123 123 PHE CB C 146 41.100 39.824 1.276 1 1 1521 . 15 1 1 A 123 123 PHE N N 146 128.700 129.943 -1.243 1 1 1522 . 15 1 1 A 124 124 LEU H H 147 8.650 8.539 0.111 1 1 1523 . 15 1 1 A 124 124 LEU HA H 147 5.020 5.146 -0.126 1 1 1533 . 15 1 1 A 124 124 LEU C C 147 175.300 175.528 -0.228 1 1 1534 . 15 1 1 A 124 124 LEU CA C 147 52.600 53.522 -0.922 1 1 1535 . 15 1 1 A 124 124 LEU CB C 147 45.600 46.007 -0.407 1 1 1539 . 15 1 1 A 124 124 LEU N N 147 128.000 129.071 -1.071 1 1 1540 . 15 1 1 A 125 125 THR H H 148 8.300 8.515 -0.215 1 1 1541 . 15 1 1 A 125 125 THR HA H 148 4.330 4.799 -0.469 1 1 1546 . 15 1 1 A 125 125 THR C C 148 173.900 174.662 -0.762 1 1 1547 . 15 1 1 A 125 125 THR CA C 148 60.200 60.246 -0.046 1 1 1548 . 15 1 1 A 125 125 THR CB C 148 70.300 70.698 -0.398 1 1 1550 . 15 1 1 A 125 125 THR N N 148 110.600 114.358 -3.758 1 1 1551 . 15 1 1 A 126 126 GLY H H 149 8.310 8.797 -0.487 1 1 1552 . 15 1 1 A 126 126 GLY HA2 H 149 3.840 3.711 0.129 1 1 1553 . 15 1 1 A 126 126 GLY HA3 H 149 3.840 3.790 0.050 1 1 1554 . 15 1 1 A 126 126 GLY CA C 149 45.200 46.799 -1.599 1 1 1555 . 15 1 1 A 126 126 GLY N N 149 109.800 113.447 -3.647 1 1 1556 . 15 1 1 A 127 127 HIS H H 150 8.310 8.194 0.116 1 1 1557 . 15 1 1 A 127 127 HIS HA H 150 4.630 4.202 0.428 1 1 1562 . 15 1 1 A 127 127 HIS C C 150 174.800 174.360 0.440 1 1 1563 . 15 1 1 A 127 127 HIS CA C 150 55.900 55.974 -0.074 1 1 1564 . 15 1 1 A 127 127 HIS CB C 150 30.700 28.124 2.576 1 1 1567 . 15 1 1 A 127 127 HIS N N 150 119.300 121.201 -1.901 1 1 1570 . 15 1 1 A 128 128 LYS H H 151 8.490 8.714 -0.224 1 1 1571 . 15 1 1 A 128 128 LYS HA H 151 4.300 4.634 -0.334 1 1 1580 . 15 1 1 A 128 128 LYS C C 151 176.200 175.976 0.224 1 1 1581 . 15 1 1 A 128 128 LYS CA C 151 56.100 56.044 0.056 1 1 1582 . 15 1 1 A 128 128 LYS CB C 151 33.200 33.100 0.100 1 1 1586 . 15 1 1 A 128 128 LYS N N 151 123.800 122.040 1.760 1 1 1587 . 15 1 1 A 129 129 GLN H H 152 8.640 8.478 0.162 1 1 1588 . 15 1 1 A 129 129 GLN HA H 152 4.270 4.591 -0.321 1 1 1595 . 15 1 1 A 129 129 GLN C C 152 176.500 175.810 0.690 1 1 1596 . 15 1 1 A 129 129 GLN CA C 152 56.400 55.770 0.630 1 1 1597 . 15 1 1 A 129 129 GLN CB C 152 29.500 30.540 -1.040 1 1 1600 . 15 1 1 A 129 129 GLN N N 152 122.900 123.204 -0.304 1 1 1602 . 15 1 1 A 130 130 GLY H H 153 8.640 8.898 -0.258 1 1 1603 . 15 1 1 A 130 130 GLY HA2 H 153 3.990 3.933 0.057 1 1 1604 . 15 1 1 A 130 130 GLY HA3 H 153 3.910 3.943 -0.033 1 1 1605 . 15 1 1 A 130 130 GLY C C 153 174.100 174.025 0.075 1 1 1606 . 15 1 1 A 130 130 GLY CA C 153 45.400 45.453 -0.053 1 1 1607 . 15 1 1 A 130 130 GLY N N 153 111.100 114.123 -3.023 1 1 1608 . 15 1 1 A 131 131 GLU H H 154 8.220 7.834 0.386 1 1 1609 . 15 1 1 A 131 131 GLU HA H 154 4.260 4.098 0.162 1 1 1614 . 15 1 1 A 131 131 GLU C C 154 176.100 176.643 -0.543 1 1 1615 . 15 1 1 A 131 131 GLU CA C 154 56.600 56.734 -0.134 1 1 1616 . 15 1 1 A 131 131 GLU CB C 154 30.600 30.303 0.297 1 1 1618 . 15 1 1 A 131 131 GLU N N 154 120.500 121.372 -0.872 1 1 1619 . 15 1 1 A 132 132 ASP H H 155 8.530 8.904 -0.374 1 1 1620 . 15 1 1 A 132 132 ASP HA H 155 4.560 4.110 0.450 1 1 1623 . 15 1 1 A 132 132 ASP C C 155 176.300 175.687 0.613 1 1 1624 . 15 1 1 A 132 132 ASP CA C 155 54.300 55.038 -0.738 1 1 1625 . 15 1 1 A 132 132 ASP CB C 155 41.000 39.238 1.762 1 1 1626 . 15 1 1 A 132 132 ASP N N 155 121.300 121.355 -0.055 1 1 1627 . 15 1 1 A 133 133 LEU H H 156 8.230 7.742 0.488 1 1 1628 . 15 1 1 A 133 133 LEU HA H 156 4.200 4.249 -0.049 1 1 1638 . 15 1 1 A 133 133 LEU C C 156 177.700 177.667 0.033 1 1 1639 . 15 1 1 A 133 133 LEU CA C 156 55.500 55.106 0.394 1 1 1640 . 15 1 1 A 133 133 LEU CB C 156 42.100 42.591 -0.491 1 1 1644 . 15 1 1 A 133 133 LEU N N 156 122.500 119.985 2.515 1 1 1645 . 15 1 1 A 134 134 GLU H H 157 8.270 9.083 -0.813 1 1 1646 . 15 1 1 A 134 134 GLU HA H 157 4.100 3.960 0.140 1 1 1651 . 15 1 1 A 134 134 GLU C C 157 177.300 175.256 2.044 1 1 1652 . 15 1 1 A 134 134 GLU CA C 157 56.900 57.675 -0.775 1 1 1653 . 15 1 1 A 134 134 GLU CB C 157 30.000 29.124 0.876 1 1 1655 . 15 1 1 A 134 134 GLU N N 157 119.800 123.358 -3.558 1 1 1656 . 15 1 1 A 135 135 HIS H H 158 8.150 7.078 1.072 1 1 1657 . 15 1 1 A 135 135 HIS HA H 158 4.530 4.696 -0.166 1 1 1662 . 15 1 1 A 135 135 HIS CA C 158 56.100 55.578 0.522 1 1 1663 . 15 1 1 A 135 135 HIS CB C 158 30.000 33.224 -3.224 1 1 1664 . 15 1 1 A 135 135 HIS N N 158 118.500 117.166 1.334 1 1 1665 . 15 1 1 A 139 139 HIS HA H 162 4.590 4.616 -0.026 1 1 1668 . 15 1 1 A 139 139 HIS C C 162 173.900 176.471 -2.571 1 1 1669 . 15 1 1 A 139 139 HIS CA C 162 55.900 56.181 -0.281 1 1 1670 . 15 1 1 A 139 139 HIS CB C 162 30.100 30.682 -0.582 1 1 15 . 16 1 1 A 2 2 PHE H H 25 8.640 7.832 0.808 1 1 16 . 16 1 1 A 2 2 PHE HA H 25 4.630 4.598 0.032 1 1 24 . 16 1 1 A 2 2 PHE C C 25 175.000 174.651 0.349 1 1 25 . 16 1 1 A 2 2 PHE CA C 25 58.000 55.859 2.141 1 1 26 . 16 1 1 A 2 2 PHE CB C 25 39.700 41.147 -1.447 1 1 31 . 16 1 1 A 3 3 ARG H H 26 8.210 8.838 -0.628 1 1 32 . 16 1 1 A 3 3 ARG HA H 26 4.200 4.472 -0.272 1 1 40 . 16 1 1 A 3 3 ARG C C 26 175.100 175.229 -0.129 1 1 41 . 16 1 1 A 3 3 ARG CA C 26 55.600 55.916 -0.316 1 1 42 . 16 1 1 A 3 3 ARG CB C 26 31.300 32.320 -1.020 1 1 45 . 16 1 1 A 3 3 ARG N N 26 125.000 120.387 4.613 1 1 47 . 16 1 1 A 4 4 ALA H H 27 8.260 8.722 -0.462 1 1 48 . 16 1 1 A 4 4 ALA HA H 27 4.090 4.124 -0.034 1 1 52 . 16 1 1 A 4 4 ALA C C 27 177.300 176.990 0.310 1 1 53 . 16 1 1 A 4 4 ALA CA C 27 52.800 53.964 -1.164 1 1 54 . 16 1 1 A 4 4 ALA CB C 27 19.200 18.069 1.131 1 1 55 . 16 1 1 A 4 4 ALA N N 27 125.400 130.026 -4.626 1 1 56 . 16 1 1 A 5 5 ASP H H 28 8.260 8.925 -0.665 1 1 57 . 16 1 1 A 5 5 ASP HA H 28 4.470 4.735 -0.265 1 1 60 . 16 1 1 A 5 5 ASP C C 28 176.200 176.020 0.180 1 1 61 . 16 1 1 A 5 5 ASP CA C 28 54.500 55.315 -0.815 1 1 62 . 16 1 1 A 5 5 ASP CB C 28 40.700 41.953 -1.253 1 1 63 . 16 1 1 A 5 5 ASP N N 28 118.200 121.217 -3.017 1 1 64 . 16 1 1 A 6 6 PHE H H 29 7.930 7.342 0.588 1 1 65 . 16 1 1 A 6 6 PHE HA H 29 4.510 4.877 -0.367 1 1 73 . 16 1 1 A 6 6 PHE C C 29 175.700 173.827 1.873 1 1 74 . 16 1 1 A 6 6 PHE CA C 29 58.000 56.123 1.877 1 1 75 . 16 1 1 A 6 6 PHE CB C 29 39.300 40.940 -1.640 1 1 81 . 16 1 1 A 6 6 PHE N N 29 119.400 115.695 3.705 1 1 82 . 16 1 1 A 7 7 LEU H H 30 8.000 9.177 -1.177 1 1 83 . 16 1 1 A 7 7 LEU HA H 30 4.210 4.137 0.073 1 1 93 . 16 1 1 A 7 7 LEU C C 30 177.400 175.947 1.453 1 1 94 . 16 1 1 A 7 7 LEU CA C 30 55.400 55.292 0.108 1 1 95 . 16 1 1 A 7 7 LEU CB C 30 42.200 40.654 1.546 1 1 99 . 16 1 1 A 7 7 LEU N N 30 122.100 121.387 0.713 1 1 100 . 16 1 1 A 8 8 SER H H 31 8.130 8.065 0.065 1 1 101 . 16 1 1 A 8 8 SER HA H 31 4.330 3.637 0.693 1 1 104 . 16 1 1 A 8 8 SER C C 31 174.900 174.976 -0.076 1 1 105 . 16 1 1 A 8 8 SER CA C 31 58.800 60.750 -1.950 1 1 106 . 16 1 1 A 8 8 SER CB C 31 63.800 62.996 0.804 1 1 107 . 16 1 1 A 8 8 SER N N 31 116.000 120.871 -4.871 1 1 108 . 16 1 1 A 9 9 GLU H H 32 8.380 8.005 0.375 1 1 109 . 16 1 1 A 9 9 GLU HA H 32 4.240 4.578 -0.338 1 1 114 . 16 1 1 A 9 9 GLU C C 32 176.600 176.538 0.062 1 1 115 . 16 1 1 A 9 9 GLU CA C 32 57.000 57.706 -0.706 1 1 116 . 16 1 1 A 9 9 GLU CB C 32 30.000 32.093 -2.093 1 1 118 . 16 1 1 A 9 9 GLU N N 32 122.200 116.678 5.522 1 1 119 . 16 1 1 A 10 10 LEU H H 33 7.990 7.989 0.001 1 1 120 . 16 1 1 A 10 10 LEU HA H 33 4.220 4.020 0.200 1 1 130 . 16 1 1 A 10 10 LEU C C 33 177.100 176.818 0.282 1 1 131 . 16 1 1 A 10 10 LEU CA C 33 55.500 55.624 -0.124 1 1 132 . 16 1 1 A 10 10 LEU CB C 33 42.200 40.705 1.495 1 1 136 . 16 1 1 A 10 10 LEU N N 33 121.200 120.600 0.600 1 1 137 . 16 1 1 A 11 11 ASP H H 34 8.090 8.648 -0.558 1 1 138 . 16 1 1 A 11 11 ASP HA H 34 4.550 4.451 0.099 1 1 141 . 16 1 1 A 11 11 ASP C C 34 175.400 175.972 -0.572 1 1 142 . 16 1 1 A 11 11 ASP CA C 34 54.200 56.505 -2.305 1 1 143 . 16 1 1 A 11 11 ASP CB C 34 41.300 41.531 -0.231 1 1 144 . 16 1 1 A 11 11 ASP N N 34 120.000 128.663 -8.663 1 1 145 . 16 1 1 A 12 12 ALA H H 35 7.950 7.489 0.461 1 1 146 . 16 1 1 A 12 12 ALA HA H 35 4.510 4.464 0.046 1 1 150 . 16 1 1 A 12 12 ALA CA C 35 50.800 50.839 -0.039 1 1 151 . 16 1 1 A 12 12 ALA CB C 35 18.300 21.726 -3.426 1 1 152 . 16 1 1 A 12 12 ALA N N 35 124.600 117.768 6.832 1 1 153 . 16 1 1 A 13 13 PRO HA H 36 4.360 4.490 -0.130 1 1 160 . 16 1 1 A 13 13 PRO C C 36 176.900 177.081 -0.181 1 1 161 . 16 1 1 A 13 13 PRO CA C 36 63.200 62.385 0.815 1 1 162 . 16 1 1 A 13 13 PRO CB C 36 32.000 31.888 0.112 1 1 165 . 16 1 1 A 14 14 ALA H H 37 8.390 8.229 0.161 1 1 166 . 16 1 1 A 14 14 ALA HA H 37 4.230 4.237 -0.007 1 1 170 . 16 1 1 A 14 14 ALA C C 37 177.900 177.304 0.596 1 1 171 . 16 1 1 A 14 14 ALA CA C 37 52.600 53.605 -1.005 1 1 172 . 16 1 1 A 14 14 ALA CB C 37 19.300 19.421 -0.121 1 1 173 . 16 1 1 A 14 14 ALA N N 37 123.900 124.962 -1.062 1 1 174 . 16 1 1 A 15 15 GLN H H 38 8.330 8.532 -0.202 1 1 175 . 16 1 1 A 15 15 GLN HA H 38 4.280 4.509 -0.229 1 1 182 . 16 1 1 A 15 15 GLN C C 38 175.800 176.628 -0.828 1 1 183 . 16 1 1 A 15 15 GLN CA C 38 55.700 55.589 0.111 1 1 184 . 16 1 1 A 15 15 GLN CB C 38 29.600 30.775 -1.175 1 1 187 . 16 1 1 A 15 15 GLN N N 38 119.300 118.349 0.951 1 1 189 . 16 1 1 A 16 16 ALA H H 39 8.410 8.171 0.239 1 1 190 . 16 1 1 A 16 16 ALA HA H 39 4.070 3.869 0.201 1 1 194 . 16 1 1 A 16 16 ALA C C 39 178.200 177.774 0.426 1 1 195 . 16 1 1 A 16 16 ALA CA C 39 52.800 54.125 -1.325 1 1 196 . 16 1 1 A 16 16 ALA CB C 39 19.300 18.117 1.183 1 1 197 . 16 1 1 A 16 16 ALA N N 39 125.600 120.202 5.398 1 1 198 . 16 1 1 A 17 17 GLY H H 40 8.510 8.179 0.331 1 1 199 . 16 1 1 A 17 17 GLY HA2 H 40 4.010 3.903 0.107 1 1 200 . 16 1 1 A 17 17 GLY HA3 H 40 4.010 3.905 0.105 1 1 201 . 16 1 1 A 17 17 GLY C C 40 174.600 173.732 0.868 1 1 202 . 16 1 1 A 17 17 GLY CA C 40 45.400 45.415 -0.015 1 1 203 . 16 1 1 A 17 17 GLY N N 40 108.500 105.920 2.580 1 1 204 . 16 1 1 A 18 18 THR H H 41 8.020 7.806 0.214 1 1 205 . 16 1 1 A 18 18 THR HA H 41 4.320 4.418 -0.098 1 1 210 . 16 1 1 A 18 18 THR C C 41 174.900 173.902 0.998 1 1 211 . 16 1 1 A 18 18 THR CA C 41 62.100 62.371 -0.271 1 1 212 . 16 1 1 A 18 18 THR CB C 41 69.900 69.433 0.467 1 1 214 . 16 1 1 A 18 18 THR N N 41 112.900 117.309 -4.409 1 1 215 . 16 1 1 A 19 19 GLU H H 42 8.630 8.692 -0.062 1 1 216 . 16 1 1 A 19 19 GLU HA H 42 4.300 4.461 -0.161 1 1 221 . 16 1 1 A 19 19 GLU C C 42 176.600 176.609 -0.009 1 1 222 . 16 1 1 A 19 19 GLU CA C 42 56.900 55.973 0.927 1 1 223 . 16 1 1 A 19 19 GLU CB C 42 30.000 30.363 -0.363 1 1 225 . 16 1 1 A 19 19 GLU N N 42 123.000 122.883 0.117 1 1 226 . 16 1 1 A 20 20 SER H H 43 8.330 7.608 0.722 1 1 227 . 16 1 1 A 20 20 SER HA H 43 4.400 4.367 0.033 1 1 230 . 16 1 1 A 20 20 SER C C 43 174.300 174.553 -0.253 1 1 231 . 16 1 1 A 20 20 SER CA C 43 58.500 58.642 -0.142 1 1 232 . 16 1 1 A 20 20 SER CB C 43 63.900 63.638 0.262 1 1 233 . 16 1 1 A 20 20 SER N N 43 116.600 116.541 0.059 1 1 234 . 16 1 1 A 21 21 ALA H H 44 8.320 8.815 -0.495 1 1 235 . 16 1 1 A 21 21 ALA HA H 44 4.300 4.634 -0.334 1 1 239 . 16 1 1 A 21 21 ALA C C 44 177.700 178.027 -0.327 1 1 240 . 16 1 1 A 21 21 ALA CA C 44 52.700 51.496 1.204 1 1 241 . 16 1 1 A 21 21 ALA CB C 44 19.300 19.795 -0.495 1 1 242 . 16 1 1 A 21 21 ALA N N 44 126.000 129.579 -3.579 1 1 243 . 16 1 1 A 22 22 VAL H H 45 8.040 8.210 -0.170 1 1 244 . 16 1 1 A 22 22 VAL HA H 45 4.100 4.210 -0.110 1 1 252 . 16 1 1 A 22 22 VAL C C 45 176.100 175.826 0.274 1 1 253 . 16 1 1 A 22 22 VAL CA C 45 62.300 63.136 -0.836 1 1 254 . 16 1 1 A 22 22 VAL CB C 45 32.700 33.083 -0.383 1 1 257 . 16 1 1 A 22 22 VAL N N 45 118.100 116.972 1.128 1 1 258 . 16 1 1 A 23 23 SER H H 46 8.370 7.579 0.791 1 1 259 . 16 1 1 A 23 23 SER HA H 46 4.410 4.796 -0.386 1 1 262 . 16 1 1 A 23 23 SER C C 46 174.900 173.139 1.761 1 1 263 . 16 1 1 A 23 23 SER CA C 46 58.500 57.383 1.117 1 1 264 . 16 1 1 A 23 23 SER CB C 46 63.900 65.412 -1.512 1 1 265 . 16 1 1 A 23 23 SER N N 46 119.100 112.228 6.872 1 1 266 . 16 1 1 A 24 24 GLY H H 47 8.370 8.349 0.021 1 1 267 . 16 1 1 A 24 24 GLY HA2 H 47 3.950 4.238 -0.288 1 1 268 . 16 1 1 A 24 24 GLY HA3 H 47 3.950 4.240 -0.290 1 1 269 . 16 1 1 A 24 24 GLY C C 47 174.200 174.268 -0.068 1 1 270 . 16 1 1 A 24 24 GLY CA C 47 45.400 45.985 -0.585 1 1 271 . 16 1 1 A 24 24 GLY N N 47 110.500 113.309 -2.809 1 1 272 . 16 1 1 A 25 25 VAL H H 48 7.980 8.777 -0.797 1 1 273 . 16 1 1 A 25 25 VAL HA H 48 4.040 3.834 0.206 1 1 281 . 16 1 1 A 25 25 VAL C C 48 176.100 177.494 -1.394 1 1 282 . 16 1 1 A 25 25 VAL CA C 48 62.200 64.718 -2.518 1 1 283 . 16 1 1 A 25 25 VAL CB C 48 32.500 30.829 1.671 1 1 286 . 16 1 1 A 25 25 VAL N N 48 118.100 119.116 -1.016 1 1 287 . 16 1 1 A 26 26 GLU H H 49 8.580 8.019 0.561 1 1 288 . 16 1 1 A 26 26 GLU HA H 49 4.160 4.102 0.058 1 1 293 . 16 1 1 A 26 26 GLU C C 49 176.900 177.394 -0.494 1 1 294 . 16 1 1 A 26 26 GLU CA C 49 57.400 58.486 -1.086 1 1 295 . 16 1 1 A 26 26 GLU CB C 49 29.800 30.180 -0.380 1 1 297 . 16 1 1 A 26 26 GLU N N 49 123.900 120.788 3.112 1 1 298 . 16 1 1 A 27 27 GLY H H 50 8.330 6.867 1.463 1 1 299 . 16 1 1 A 27 27 GLY HA2 H 50 3.890 4.059 -0.169 1 1 300 . 16 1 1 A 27 27 GLY HA3 H 50 3.830 4.066 -0.236 1 1 301 . 16 1 1 A 27 27 GLY C C 50 173.800 172.375 1.425 1 1 302 . 16 1 1 A 27 27 GLY CA C 50 45.200 45.800 -0.600 1 1 303 . 16 1 1 A 27 27 GLY N N 50 109.500 104.455 5.045 1 1 304 . 16 1 1 A 28 28 LEU H H 51 7.770 8.752 -0.982 1 1 305 . 16 1 1 A 28 28 LEU HA H 51 4.470 4.958 -0.488 1 1 315 . 16 1 1 A 28 28 LEU CA C 51 52.800 52.074 0.726 1 1 316 . 16 1 1 A 28 28 LEU CB C 51 42.200 42.781 -0.581 1 1 320 . 16 1 1 A 28 28 LEU N N 51 123.000 122.039 0.961 1 1 321 . 16 1 1 A 29 29 PRO HA H 52 4.660 4.750 -0.090 1 1 328 . 16 1 1 A 29 29 PRO CA C 52 61.600 61.639 -0.039 1 1 329 . 16 1 1 A 29 29 PRO CB C 52 30.800 31.353 -0.553 1 1 332 . 16 1 1 A 30 30 PRO HA H 53 4.340 4.287 0.053 1 1 339 . 16 1 1 A 30 30 PRO C C 53 177.500 177.172 0.328 1 1 340 . 16 1 1 A 30 30 PRO CA C 53 63.500 63.657 -0.157 1 1 341 . 16 1 1 A 30 30 PRO CB C 53 32.000 31.605 0.395 1 1 344 . 16 1 1 A 31 31 GLY H H 54 8.690 8.724 -0.034 1 1 345 . 16 1 1 A 31 31 GLY HA2 H 54 4.060 4.095 -0.035 1 1 346 . 16 1 1 A 31 31 GLY HA3 H 54 3.660 4.101 -0.441 1 1 347 . 16 1 1 A 31 31 GLY C C 54 172.900 174.744 -1.844 1 1 348 . 16 1 1 A 31 31 GLY CA C 54 45.400 45.977 -0.577 1 1 349 . 16 1 1 A 31 31 GLY N N 54 110.100 111.546 -1.446 1 1 350 . 16 1 1 A 32 32 LEU H H 55 7.510 8.071 -0.561 1 1 351 . 16 1 1 A 32 32 LEU HA H 55 4.960 4.871 0.089 1 1 361 . 16 1 1 A 32 32 LEU C C 55 175.400 176.236 -0.836 1 1 362 . 16 1 1 A 32 32 LEU CA C 55 54.100 54.036 0.064 1 1 363 . 16 1 1 A 32 32 LEU CB C 55 44.400 43.437 0.963 1 1 367 . 16 1 1 A 32 32 LEU N N 55 119.300 121.225 -1.925 1 1 368 . 16 1 1 A 33 33 ALA H H 56 7.840 8.709 -0.869 1 1 369 . 16 1 1 A 33 33 ALA HA H 56 4.500 5.241 -0.741 1 1 373 . 16 1 1 A 33 33 ALA C C 56 178.200 175.243 2.957 1 1 374 . 16 1 1 A 33 33 ALA CA C 56 51.100 49.852 1.248 1 1 375 . 16 1 1 A 33 33 ALA CB C 56 23.900 23.391 0.509 1 1 376 . 16 1 1 A 33 33 ALA N N 56 121.800 123.607 -1.807 1 1 377 . 16 1 1 A 34 34 LEU H H 57 8.640 8.265 0.375 1 1 378 . 16 1 1 A 34 34 LEU HA H 57 4.930 5.068 -0.138 1 1 388 . 16 1 1 A 34 34 LEU C C 57 174.400 175.616 -1.216 1 1 389 . 16 1 1 A 34 34 LEU CA C 57 53.400 53.642 -0.242 1 1 390 . 16 1 1 A 34 34 LEU CB C 57 47.300 45.265 2.035 1 1 394 . 16 1 1 A 34 34 LEU N N 57 119.200 119.320 -0.120 1 1 395 . 16 1 1 A 35 35 LEU H H 58 8.640 8.853 -0.213 1 1 396 . 16 1 1 A 35 35 LEU HA H 58 5.440 5.073 0.367 1 1 406 . 16 1 1 A 35 35 LEU C C 58 176.200 176.023 0.177 1 1 407 . 16 1 1 A 35 35 LEU CA C 58 52.600 53.367 -0.767 1 1 408 . 16 1 1 A 35 35 LEU CB C 58 46.000 44.854 1.146 1 1 412 . 16 1 1 A 35 35 LEU N N 58 119.400 122.259 -2.859 1 1 413 . 16 1 1 A 36 36 VAL H H 59 8.960 8.967 -0.007 1 1 414 . 16 1 1 A 36 36 VAL HA H 59 4.860 4.623 0.237 1 1 422 . 16 1 1 A 36 36 VAL C C 59 176.400 175.035 1.365 1 1 423 . 16 1 1 A 36 36 VAL CA C 59 59.900 60.199 -0.299 1 1 424 . 16 1 1 A 36 36 VAL CB C 59 34.600 35.044 -0.444 1 1 427 . 16 1 1 A 36 36 VAL N N 59 120.700 123.099 -2.399 1 1 428 . 16 1 1 A 37 37 VAL H H 60 8.830 8.579 0.251 1 1 429 . 16 1 1 A 37 37 VAL HA H 60 4.170 4.032 0.138 1 1 437 . 16 1 1 A 37 37 VAL C C 60 176.000 175.769 0.231 1 1 438 . 16 1 1 A 37 37 VAL CA C 60 63.900 63.736 0.164 1 1 439 . 16 1 1 A 37 37 VAL CB C 60 31.400 31.905 -0.505 1 1 442 . 16 1 1 A 37 37 VAL N N 60 125.700 126.921 -1.221 1 1 443 . 16 1 1 A 38 38 LYS H H 61 9.400 9.250 0.150 1 1 444 . 16 1 1 A 38 38 LYS HA H 61 4.450 4.310 0.140 1 1 453 . 16 1 1 A 38 38 LYS C C 61 176.000 175.598 0.402 1 1 454 . 16 1 1 A 38 38 LYS CA C 61 56.900 58.035 -1.135 1 1 455 . 16 1 1 A 38 38 LYS CB C 61 34.200 33.541 0.659 1 1 459 . 16 1 1 A 38 38 LYS N N 61 131.900 128.773 3.127 1 1 460 . 16 1 1 A 39 39 ARG H H 62 7.990 7.933 0.057 1 1 461 . 16 1 1 A 39 39 ARG HA H 62 4.700 4.985 -0.285 1 1 469 . 16 1 1 A 39 39 ARG C C 62 173.600 175.074 -1.474 1 1 470 . 16 1 1 A 39 39 ARG CA C 62 55.100 54.932 0.168 1 1 471 . 16 1 1 A 39 39 ARG CB C 62 34.100 34.199 -0.099 1 1 474 . 16 1 1 A 39 39 ARG N N 62 117.300 119.279 -1.979 1 1 476 . 16 1 1 A 40 40 GLY H H 63 8.480 8.435 0.045 1 1 477 . 16 1 1 A 40 40 GLY HA2 H 63 4.290 4.275 0.015 1 1 478 . 16 1 1 A 40 40 GLY HA3 H 63 3.580 4.364 -0.784 1 1 479 . 16 1 1 A 40 40 GLY CA C 63 43.800 45.153 -1.353 1 1 480 . 16 1 1 A 40 40 GLY N N 63 110.800 112.464 -1.664 1 1 481 . 16 1 1 A 41 41 PRO HA H 64 4.300 4.352 -0.052 1 1 488 . 16 1 1 A 41 41 PRO C C 64 175.900 178.872 -2.972 1 1 489 . 16 1 1 A 41 41 PRO CA C 64 64.400 65.299 -0.899 1 1 490 . 16 1 1 A 41 41 PRO CB C 64 31.500 32.000 -0.500 1 1 493 . 16 1 1 A 42 42 ASN H H 65 8.310 8.231 0.079 1 1 494 . 16 1 1 A 42 42 ASN HA H 65 4.770 4.557 0.213 1 1 499 . 16 1 1 A 42 42 ASN C C 65 177.500 175.896 1.604 1 1 500 . 16 1 1 A 42 42 ASN CA C 65 52.100 56.425 -4.325 1 1 501 . 16 1 1 A 42 42 ASN CB C 65 36.700 38.343 -1.643 1 1 503 . 16 1 1 A 42 42 ASN N N 65 114.500 115.216 -0.716 1 1 505 . 16 1 1 A 43 43 ALA H H 66 7.470 8.095 -0.625 1 1 506 . 16 1 1 A 43 43 ALA HA H 66 3.690 4.143 -0.453 1 1 510 . 16 1 1 A 43 43 ALA C C 66 177.800 177.061 0.739 1 1 511 . 16 1 1 A 43 43 ALA CA C 66 54.200 53.178 1.022 1 1 512 . 16 1 1 A 43 43 ALA CB C 66 17.700 18.431 -0.731 1 1 513 . 16 1 1 A 43 43 ALA N N 66 122.100 120.564 1.536 1 1 514 . 16 1 1 A 44 44 GLY H H 67 9.120 8.584 0.536 1 1 515 . 16 1 1 A 44 44 GLY HA2 H 67 4.440 3.986 0.454 1 1 516 . 16 1 1 A 44 44 GLY HA3 H 67 3.490 3.990 -0.500 1 1 517 . 16 1 1 A 44 44 GLY C C 67 174.900 174.341 0.559 1 1 518 . 16 1 1 A 44 44 GLY CA C 67 44.600 44.971 -0.371 1 1 519 . 16 1 1 A 44 44 GLY N N 67 111.800 111.240 0.560 1 1 520 . 16 1 1 A 45 45 SER H H 68 8.090 8.043 0.047 1 1 521 . 16 1 1 A 45 45 SER HA H 68 4.280 4.292 -0.012 1 1 524 . 16 1 1 A 45 45 SER C C 68 171.500 173.882 -2.382 1 1 525 . 16 1 1 A 45 45 SER CA C 68 60.500 58.303 2.197 1 1 526 . 16 1 1 A 45 45 SER CB C 68 63.800 63.976 -0.176 1 1 527 . 16 1 1 A 45 45 SER N N 68 117.400 117.258 0.142 1 1 528 . 16 1 1 A 46 46 ARG H H 69 8.120 8.123 -0.003 1 1 529 . 16 1 1 A 46 46 ARG HA H 69 5.140 5.168 -0.028 1 1 537 . 16 1 1 A 46 46 ARG C C 69 174.600 174.279 0.321 1 1 538 . 16 1 1 A 46 46 ARG CA C 69 54.200 53.913 0.287 1 1 539 . 16 1 1 A 46 46 ARG CB C 69 33.900 34.169 -0.269 1 1 542 . 16 1 1 A 46 46 ARG N N 69 119.800 125.373 -5.573 1 1 544 . 16 1 1 A 47 47 PHE H H 70 9.180 8.670 0.510 1 1 545 . 16 1 1 A 47 47 PHE HA H 70 4.720 4.969 -0.249 1 1 553 . 16 1 1 A 47 47 PHE C C 70 173.900 174.844 -0.944 1 1 554 . 16 1 1 A 47 47 PHE CA C 70 56.400 56.564 -0.164 1 1 555 . 16 1 1 A 47 47 PHE CB C 70 41.500 43.108 -1.608 1 1 561 . 16 1 1 A 47 47 PHE N N 70 120.800 120.999 -0.199 1 1 562 . 16 1 1 A 48 48 LEU H H 71 8.720 9.051 -0.331 1 1 563 . 16 1 1 A 48 48 LEU HA H 71 4.450 4.972 -0.522 1 1 573 . 16 1 1 A 48 48 LEU C C 71 176.300 175.241 1.059 1 1 574 . 16 1 1 A 48 48 LEU CA C 71 54.900 52.893 2.007 1 1 575 . 16 1 1 A 48 48 LEU CB C 71 43.200 43.987 -0.787 1 1 579 . 16 1 1 A 48 48 LEU N N 71 125.300 119.806 5.494 1 1 580 . 16 1 1 A 49 49 LEU H H 72 8.730 8.732 -0.002 1 1 581 . 16 1 1 A 49 49 LEU HA H 72 4.770 4.741 0.029 1 1 591 . 16 1 1 A 49 49 LEU C C 72 174.800 177.518 -2.718 1 1 592 . 16 1 1 A 49 49 LEU CA C 72 53.200 53.711 -0.511 1 1 593 . 16 1 1 A 49 49 LEU CB C 72 40.900 41.979 -1.079 1 1 597 . 16 1 1 A 49 49 LEU N N 72 126.900 122.054 4.846 1 1 598 . 16 1 1 A 50 50 ASP H H 73 8.350 8.403 -0.053 1 1 599 . 16 1 1 A 50 50 ASP HA H 73 4.790 5.004 -0.214 1 1 602 . 16 1 1 A 50 50 ASP C C 73 175.600 176.098 -0.498 1 1 603 . 16 1 1 A 50 50 ASP CA C 73 53.000 53.048 -0.048 1 1 604 . 16 1 1 A 50 50 ASP CB C 73 41.400 39.801 1.599 1 1 605 . 16 1 1 A 50 50 ASP N N 73 120.400 119.203 1.197 1 1 606 . 16 1 1 A 51 51 GLN H H 74 7.670 8.308 -0.638 1 1 607 . 16 1 1 A 51 51 GLN HA H 74 4.660 4.283 0.377 1 1 614 . 16 1 1 A 51 51 GLN C C 74 175.400 175.222 0.178 1 1 615 . 16 1 1 A 51 51 GLN CA C 74 53.700 58.109 -4.409 1 1 616 . 16 1 1 A 51 51 GLN CB C 74 31.300 27.507 3.793 1 1 619 . 16 1 1 A 51 51 GLN N N 74 116.200 115.407 0.793 1 1 621 . 16 1 1 A 52 52 ALA H H 75 8.720 8.743 -0.023 1 1 622 . 16 1 1 A 52 52 ALA HA H 75 4.170 3.944 0.226 1 1 626 . 16 1 1 A 52 52 ALA C C 75 178.300 176.067 2.233 1 1 627 . 16 1 1 A 52 52 ALA CA C 75 55.700 54.283 1.417 1 1 628 . 16 1 1 A 52 52 ALA CB C 75 18.500 17.778 0.722 1 1 629 . 16 1 1 A 52 52 ALA N N 75 123.200 121.010 2.190 1 1 630 . 16 1 1 A 53 53 ILE H H 76 8.030 8.459 -0.429 1 1 631 . 16 1 1 A 53 53 ILE HA H 76 4.650 4.908 -0.258 1 1 641 . 16 1 1 A 53 53 ILE C C 76 175.100 175.115 -0.015 1 1 642 . 16 1 1 A 53 53 ILE CA C 76 61.100 60.601 0.499 1 1 643 . 16 1 1 A 53 53 ILE CB C 76 40.500 40.301 0.199 1 1 647 . 16 1 1 A 53 53 ILE N N 76 115.400 120.396 -4.996 1 1 648 . 16 1 1 A 54 54 THR H H 77 8.840 9.209 -0.369 1 1 649 . 16 1 1 A 54 54 THR HA H 77 4.940 5.162 -0.222 1 1 654 . 16 1 1 A 54 54 THR C C 77 174.600 173.962 0.638 1 1 655 . 16 1 1 A 54 54 THR CA C 77 61.400 61.691 -0.291 1 1 656 . 16 1 1 A 54 54 THR CB C 77 70.300 70.771 -0.471 1 1 658 . 16 1 1 A 54 54 THR N N 77 125.300 124.988 0.312 1 1 659 . 16 1 1 A 55 55 SER H H 78 10.690 8.909 1.781 1 1 660 . 16 1 1 A 55 55 SER HA H 78 4.720 5.091 -0.371 1 1 663 . 16 1 1 A 55 55 SER C C 78 172.600 173.455 -0.855 1 1 664 . 16 1 1 A 55 55 SER CA C 78 57.800 57.623 0.177 1 1 665 . 16 1 1 A 55 55 SER CB C 78 65.200 64.884 0.316 1 1 666 . 16 1 1 A 55 55 SER N N 78 126.300 123.484 2.816 1 1 667 . 16 1 1 A 56 56 ALA H H 79 8.840 8.151 0.689 1 1 668 . 16 1 1 A 56 56 ALA HA H 79 5.720 4.928 0.792 1 1 672 . 16 1 1 A 56 56 ALA C C 79 175.800 178.216 -2.416 1 1 673 . 16 1 1 A 56 56 ALA CA C 79 49.800 50.787 -0.987 1 1 674 . 16 1 1 A 56 56 ALA CB C 79 21.900 22.304 -0.404 1 1 675 . 16 1 1 A 56 56 ALA N N 79 123.200 124.958 -1.758 1 1 676 . 16 1 1 A 57 57 GLY H H 80 8.410 8.658 -0.248 1 1 677 . 16 1 1 A 57 57 GLY HA2 H 80 4.400 3.899 0.501 1 1 678 . 16 1 1 A 57 57 GLY HA3 H 80 3.970 3.964 0.006 1 1 679 . 16 1 1 A 57 57 GLY C C 80 174.800 174.401 0.399 1 1 680 . 16 1 1 A 57 57 GLY CA C 80 46.300 45.285 1.015 1 1 681 . 16 1 1 A 57 57 GLY N N 80 108.700 110.461 -1.761 1 1 682 . 16 1 1 A 58 58 ARG H H 81 8.330 7.387 0.943 1 1 683 . 16 1 1 A 58 58 ARG HA H 81 4.440 4.490 -0.050 1 1 690 . 16 1 1 A 58 58 ARG C C 81 176.400 176.485 -0.085 1 1 691 . 16 1 1 A 58 58 ARG CA C 81 54.700 55.886 -1.186 1 1 692 . 16 1 1 A 58 58 ARG CB C 81 32.300 31.378 0.922 1 1 695 . 16 1 1 A 58 58 ARG N N 81 120.400 120.751 -0.351 1 1 696 . 16 1 1 A 59 59 HIS H H 82 9.040 8.805 0.235 1 1 697 . 16 1 1 A 59 59 HIS HA H 82 4.280 4.626 -0.346 1 1 702 . 16 1 1 A 59 59 HIS CA C 82 56.800 60.325 -3.525 1 1 703 . 16 1 1 A 59 59 HIS CB C 82 30.900 29.646 1.254 1 1 705 . 16 1 1 A 59 59 HIS N N 82 124.300 121.632 2.668 1 1 708 . 16 1 1 A 60 60 PRO HA H 83 3.640 3.744 -0.104 1 1 715 . 16 1 1 A 60 60 PRO C C 83 177.000 176.923 0.077 1 1 716 . 16 1 1 A 60 60 PRO CA C 83 64.800 63.878 0.922 1 1 717 . 16 1 1 A 60 60 PRO CB C 83 31.700 32.047 -0.347 1 1 720 . 16 1 1 A 61 61 ASP H H 84 11.140 8.912 2.228 1 1 721 . 16 1 1 A 61 61 ASP HA H 84 4.700 4.212 0.488 1 1 724 . 16 1 1 A 61 61 ASP C C 84 177.400 175.146 2.254 1 1 725 . 16 1 1 A 61 61 ASP CA C 84 53.900 54.995 -1.095 1 1 726 . 16 1 1 A 61 61 ASP CB C 84 40.500 39.466 1.034 1 1 727 . 16 1 1 A 61 61 ASP N N 84 121.600 122.445 -0.845 1 1 728 . 16 1 1 A 62 62 SER H H 85 8.190 7.524 0.666 1 1 729 . 16 1 1 A 62 62 SER HA H 85 4.030 4.682 -0.652 1 1 733 . 16 1 1 A 62 62 SER C C 85 173.400 174.100 -0.700 1 1 734 . 16 1 1 A 62 62 SER CA C 85 60.400 57.142 3.258 1 1 735 . 16 1 1 A 62 62 SER CB C 85 65.200 64.874 0.326 1 1 736 . 16 1 1 A 62 62 SER N N 85 118.100 114.378 3.722 1 1 737 . 16 1 1 A 63 63 ASP H H 86 8.270 8.705 -0.435 1 1 738 . 16 1 1 A 63 63 ASP HA H 86 4.390 4.573 -0.183 1 1 741 . 16 1 1 A 63 63 ASP C C 86 177.200 177.316 -0.116 1 1 742 . 16 1 1 A 63 63 ASP CA C 86 58.300 57.479 0.821 1 1 743 . 16 1 1 A 63 63 ASP CB C 86 42.100 41.148 0.952 1 1 744 . 16 1 1 A 63 63 ASP N N 86 125.600 125.575 0.025 1 1 745 . 16 1 1 A 64 64 ILE H H 87 8.470 7.570 0.900 1 1 746 . 16 1 1 A 64 64 ILE HA H 87 3.560 3.673 -0.113 1 1 756 . 16 1 1 A 64 64 ILE C C 87 172.900 175.545 -2.645 1 1 757 . 16 1 1 A 64 64 ILE CA C 87 60.500 62.344 -1.844 1 1 758 . 16 1 1 A 64 64 ILE CB C 87 37.400 37.909 -0.509 1 1 762 . 16 1 1 A 64 64 ILE N N 87 119.500 119.807 -0.307 1 1 763 . 16 1 1 A 65 65 PHE H H 88 8.100 8.525 -0.425 1 1 764 . 16 1 1 A 65 65 PHE HA H 88 5.010 5.167 -0.157 1 1 772 . 16 1 1 A 65 65 PHE C C 88 174.000 173.672 0.328 1 1 773 . 16 1 1 A 65 65 PHE CA C 88 55.600 55.956 -0.356 1 1 774 . 16 1 1 A 65 65 PHE CB C 88 38.800 40.358 -1.558 1 1 779 . 16 1 1 A 65 65 PHE N N 88 127.100 127.824 -0.724 1 1 780 . 16 1 1 A 66 66 LEU H H 89 7.710 8.554 -0.844 1 1 781 . 16 1 1 A 66 66 LEU HA H 89 3.620 4.413 -0.793 1 1 791 . 16 1 1 A 66 66 LEU C C 89 173.500 174.604 -1.104 1 1 792 . 16 1 1 A 66 66 LEU CA C 89 52.100 53.715 -1.615 1 1 793 . 16 1 1 A 66 66 LEU CB C 89 41.300 42.969 -1.669 1 1 797 . 16 1 1 A 66 66 LEU N N 89 131.900 127.946 3.954 1 1 798 . 16 1 1 A 67 67 ASP H H 90 7.980 8.567 -0.587 1 1 799 . 16 1 1 A 67 67 ASP HA H 90 4.260 5.041 -0.781 1 1 802 . 16 1 1 A 67 67 ASP C C 90 174.800 174.798 0.002 1 1 803 . 16 1 1 A 67 67 ASP CA C 90 53.100 53.443 -0.343 1 1 804 . 16 1 1 A 67 67 ASP CB C 90 39.900 40.962 -1.062 1 1 805 . 16 1 1 A 67 67 ASP N N 90 120.000 124.954 -4.954 1 1 806 . 16 1 1 A 68 68 ASP H H 91 7.480 8.338 -0.858 1 1 807 . 16 1 1 A 68 68 ASP HA H 91 4.850 5.076 -0.226 1 1 810 . 16 1 1 A 68 68 ASP C C 91 175.600 176.230 -0.630 1 1 811 . 16 1 1 A 68 68 ASP CA C 91 54.900 52.779 2.121 1 1 812 . 16 1 1 A 68 68 ASP CB C 91 48.500 44.809 3.691 1 1 813 . 16 1 1 A 68 68 ASP N N 91 121.400 123.453 -2.053 1 1 814 . 16 1 1 A 69 69 VAL H H 92 8.370 8.684 -0.314 1 1 815 . 16 1 1 A 69 69 VAL HA H 92 4.060 3.821 0.239 1 1 823 . 16 1 1 A 69 69 VAL C C 92 175.900 178.126 -2.226 1 1 824 . 16 1 1 A 69 69 VAL CA C 92 64.800 65.340 -0.540 1 1 825 . 16 1 1 A 69 69 VAL CB C 92 31.700 31.817 -0.117 1 1 828 . 16 1 1 A 69 69 VAL N N 92 121.900 121.650 0.250 1 1 829 . 16 1 1 A 70 70 THR H H 93 8.360 7.706 0.654 1 1 830 . 16 1 1 A 70 70 THR HA H 93 4.060 4.212 -0.152 1 1 836 . 16 1 1 A 70 70 THR C C 93 175.100 174.695 0.405 1 1 837 . 16 1 1 A 70 70 THR CA C 93 63.700 65.028 -1.328 1 1 838 . 16 1 1 A 70 70 THR CB C 93 70.300 68.963 1.337 1 1 840 . 16 1 1 A 70 70 THR N N 93 111.100 112.224 -1.124 1 1 841 . 16 1 1 A 71 71 VAL H H 94 8.240 7.896 0.344 1 1 842 . 16 1 1 A 71 71 VAL HA H 94 4.520 4.163 0.357 1 1 850 . 16 1 1 A 71 71 VAL C C 94 176.800 175.379 1.421 1 1 851 . 16 1 1 A 71 71 VAL CA C 94 61.200 60.616 0.584 1 1 852 . 16 1 1 A 71 71 VAL CB C 94 33.500 32.814 0.686 1 1 855 . 16 1 1 A 71 71 VAL N N 94 125.500 122.937 2.563 1 1 856 . 16 1 1 A 72 72 SER H H 95 11.410 8.920 2.490 1 1 857 . 16 1 1 A 72 72 SER HA H 95 4.670 4.741 -0.071 1 1 860 . 16 1 1 A 72 72 SER C C 95 174.500 175.722 -1.222 1 1 861 . 16 1 1 A 72 72 SER CA C 95 60.600 57.762 2.838 1 1 862 . 16 1 1 A 72 72 SER CB C 95 64.200 64.776 -0.576 1 1 863 . 16 1 1 A 72 72 SER N N 95 126.800 122.876 3.924 1 1 864 . 16 1 1 A 73 73 ARG H H 96 9.260 8.606 0.654 1 1 865 . 16 1 1 A 73 73 ARG HA H 96 3.770 3.973 -0.203 1 1 873 . 16 1 1 A 73 73 ARG C C 96 176.600 177.463 -0.863 1 1 874 . 16 1 1 A 73 73 ARG CA C 96 61.300 59.575 1.725 1 1 875 . 16 1 1 A 73 73 ARG CB C 96 29.800 30.025 -0.225 1 1 878 . 16 1 1 A 73 73 ARG N N 96 124.600 122.733 1.867 1 1 880 . 16 1 1 A 74 74 ARG H H 97 7.800 7.875 -0.075 1 1 881 . 16 1 1 A 74 74 ARG HA H 97 4.440 4.479 -0.039 1 1 889 . 16 1 1 A 74 74 ARG C C 97 173.100 177.268 -4.168 1 1 890 . 16 1 1 A 74 74 ARG CA C 97 54.800 57.716 -2.916 1 1 891 . 16 1 1 A 74 74 ARG CB C 97 29.300 31.172 -1.872 1 1 894 . 16 1 1 A 74 74 ARG N N 97 114.800 117.766 -2.966 1 1 896 . 16 1 1 A 75 75 HIS H H 98 7.840 8.110 -0.270 1 1 897 . 16 1 1 A 75 75 HIS HA H 98 4.430 4.409 0.021 1 1 903 . 16 1 1 A 75 75 HIS C C 98 173.800 174.148 -0.348 1 1 904 . 16 1 1 A 75 75 HIS CA C 98 57.800 58.383 -0.583 1 1 905 . 16 1 1 A 75 75 HIS CB C 98 35.000 29.447 5.553 1 1 908 . 16 1 1 A 75 75 HIS N N 98 124.400 118.287 6.113 1 1 910 . 16 1 1 A 76 76 ALA H H 99 8.490 8.612 -0.122 1 1 911 . 16 1 1 A 76 76 ALA HA H 99 5.580 4.493 1.087 1 1 915 . 16 1 1 A 76 76 ALA C C 99 176.500 175.229 1.271 1 1 916 . 16 1 1 A 76 76 ALA CA C 99 50.300 50.370 -0.070 1 1 917 . 16 1 1 A 76 76 ALA CB C 99 23.200 22.970 0.230 1 1 918 . 16 1 1 A 76 76 ALA N N 99 116.600 119.689 -3.089 1 1 919 . 16 1 1 A 77 77 GLU H H 100 9.030 8.349 0.681 1 1 920 . 16 1 1 A 77 77 GLU HA H 100 5.030 4.845 0.185 1 1 925 . 16 1 1 A 77 77 GLU C C 100 174.100 174.304 -0.204 1 1 926 . 16 1 1 A 77 77 GLU CA C 100 54.500 55.039 -0.539 1 1 927 . 16 1 1 A 77 77 GLU CB C 100 34.900 33.626 1.274 1 1 929 . 16 1 1 A 77 77 GLU N N 100 118.100 120.408 -2.308 1 1 930 . 16 1 1 A 78 78 PHE H H 101 9.400 9.037 0.363 1 1 931 . 16 1 1 A 78 78 PHE HA H 101 5.400 5.482 -0.082 1 1 939 . 16 1 1 A 78 78 PHE C C 101 176.500 175.425 1.075 1 1 940 . 16 1 1 A 78 78 PHE CA C 101 56.700 56.579 0.121 1 1 941 . 16 1 1 A 78 78 PHE CB C 101 41.000 42.066 -1.066 1 1 946 . 16 1 1 A 78 78 PHE N N 101 119.600 123.740 -4.140 1 1 947 . 16 1 1 A 79 79 ARG H H 102 9.720 8.837 0.883 1 1 948 . 16 1 1 A 79 79 ARG HA H 102 5.490 5.120 0.370 1 1 956 . 16 1 1 A 79 79 ARG C C 102 174.300 174.277 0.023 1 1 957 . 16 1 1 A 79 79 ARG CA C 102 54.800 54.521 0.279 1 1 958 . 16 1 1 A 79 79 ARG CB C 102 33.100 34.157 -1.057 1 1 961 . 16 1 1 A 79 79 ARG N N 102 126.100 121.094 5.006 1 1 963 . 16 1 1 A 80 80 LEU H H 103 9.020 8.430 0.590 1 1 964 . 16 1 1 A 80 80 LEU HA H 103 4.400 4.727 -0.327 1 1 974 . 16 1 1 A 80 80 LEU C C 103 176.100 175.314 0.786 1 1 975 . 16 1 1 A 80 80 LEU CA C 103 54.100 54.089 0.011 1 1 976 . 16 1 1 A 80 80 LEU CB C 103 42.600 43.487 -0.887 1 1 980 . 16 1 1 A 80 80 LEU N N 103 128.000 125.139 2.861 1 1 981 . 16 1 1 A 81 81 GLU H H 104 8.860 8.598 0.262 1 1 982 . 16 1 1 A 81 81 GLU HA H 104 4.430 4.396 0.034 1 1 987 . 16 1 1 A 81 81 GLU C C 104 175.800 175.025 0.775 1 1 988 . 16 1 1 A 81 81 GLU CA C 104 55.500 55.883 -0.383 1 1 989 . 16 1 1 A 81 81 GLU CB C 104 32.600 30.034 2.566 1 1 991 . 16 1 1 A 81 81 GLU N N 104 128.600 128.173 0.427 1 1 992 . 16 1 1 A 82 82 ASN H H 105 9.410 8.374 1.036 1 1 993 . 16 1 1 A 82 82 ASN HA H 105 4.200 4.640 -0.440 1 1 998 . 16 1 1 A 82 82 ASN C C 105 174.300 175.169 -0.869 1 1 999 . 16 1 1 A 82 82 ASN CA C 105 54.700 51.865 2.835 1 1 1000 . 16 1 1 A 82 82 ASN CB C 105 37.200 37.773 -0.573 1 1 1002 . 16 1 1 A 82 82 ASN N N 105 124.600 120.733 3.867 1 1 1004 . 16 1 1 A 83 83 ASN H H 106 8.640 8.286 0.354 1 1 1005 . 16 1 1 A 83 83 ASN HA H 106 4.010 4.163 -0.153 1 1 1010 . 16 1 1 A 83 83 ASN C C 106 173.100 173.755 -0.655 1 1 1011 . 16 1 1 A 83 83 ASN CA C 106 54.900 54.270 0.630 1 1 1012 . 16 1 1 A 83 83 ASN CB C 106 38.100 37.684 0.416 1 1 1014 . 16 1 1 A 83 83 ASN N N 106 108.900 122.840 -13.940 1 1 1016 . 16 1 1 A 84 84 GLU H H 107 7.660 7.528 0.132 1 1 1017 . 16 1 1 A 84 84 GLU HA H 107 4.660 4.719 -0.059 1 1 1022 . 16 1 1 A 84 84 GLU C C 107 174.300 174.986 -0.686 1 1 1023 . 16 1 1 A 84 84 GLU CA C 107 54.700 54.719 -0.019 1 1 1024 . 16 1 1 A 84 84 GLU CB C 107 32.900 32.911 -0.011 1 1 1026 . 16 1 1 A 84 84 GLU N N 107 118.300 117.512 0.788 1 1 1027 . 16 1 1 A 85 85 PHE H H 108 9.690 8.763 0.927 1 1 1028 . 16 1 1 A 85 85 PHE HA H 108 5.000 4.763 0.237 1 1 1035 . 16 1 1 A 85 85 PHE C C 108 174.500 175.857 -1.357 1 1 1036 . 16 1 1 A 85 85 PHE CA C 108 58.600 58.648 -0.048 1 1 1037 . 16 1 1 A 85 85 PHE CB C 108 41.800 40.244 1.556 1 1 1042 . 16 1 1 A 85 85 PHE N N 108 121.100 122.151 -1.051 1 1 1043 . 16 1 1 A 86 86 ASN H H 109 9.180 8.847 0.333 1 1 1044 . 16 1 1 A 86 86 ASN HA H 109 5.580 5.364 0.216 1 1 1049 . 16 1 1 A 86 86 ASN C C 109 175.000 173.586 1.414 1 1 1050 . 16 1 1 A 86 86 ASN CA C 109 51.200 52.413 -1.213 1 1 1051 . 16 1 1 A 86 86 ASN CB C 109 42.100 43.030 -0.930 1 1 1053 . 16 1 1 A 86 86 ASN N N 109 119.400 118.806 0.594 1 1 1055 . 16 1 1 A 87 87 VAL H H 110 9.060 8.794 0.266 1 1 1056 . 16 1 1 A 87 87 VAL HA H 110 4.940 5.034 -0.094 1 1 1064 . 16 1 1 A 87 87 VAL C C 110 171.700 173.576 -1.876 1 1 1065 . 16 1 1 A 87 87 VAL CA C 110 58.400 59.952 -1.552 1 1 1066 . 16 1 1 A 87 87 VAL CB C 110 33.800 35.086 -1.286 1 1 1069 . 16 1 1 A 87 87 VAL N N 110 121.300 119.977 1.323 1 1 1070 . 16 1 1 A 88 88 VAL H H 111 8.640 9.068 -0.428 1 1 1071 . 16 1 1 A 88 88 VAL HA H 111 4.590 4.579 0.011 1 1 1079 . 16 1 1 A 88 88 VAL C C 111 175.700 174.136 1.564 1 1 1080 . 16 1 1 A 88 88 VAL CA C 111 60.100 60.593 -0.493 1 1 1081 . 16 1 1 A 88 88 VAL CB C 111 36.200 34.929 1.271 1 1 1084 . 16 1 1 A 88 88 VAL N N 111 125.500 128.179 -2.679 1 1 1085 . 16 1 1 A 89 89 ASP H H 112 8.480 8.538 -0.058 1 1 1086 . 16 1 1 A 89 89 ASP HA H 112 4.870 4.675 0.195 1 1 1089 . 16 1 1 A 89 89 ASP C C 112 177.200 177.076 0.124 1 1 1090 . 16 1 1 A 89 89 ASP CA C 112 54.700 54.333 0.367 1 1 1091 . 16 1 1 A 89 89 ASP CB C 112 43.600 41.143 2.457 1 1 1092 . 16 1 1 A 89 89 ASP N N 112 126.600 127.321 -0.721 1 1 1093 . 16 1 1 A 90 90 VAL H H 113 7.980 8.581 -0.601 1 1 1094 . 16 1 1 A 90 90 VAL HA H 113 4.540 4.382 0.158 1 1 1102 . 16 1 1 A 90 90 VAL C C 113 174.400 176.291 -1.891 1 1 1103 . 16 1 1 A 90 90 VAL CA C 113 60.300 61.671 -1.371 1 1 1104 . 16 1 1 A 90 90 VAL CB C 113 29.500 32.187 -2.687 1 1 1107 . 16 1 1 A 90 90 VAL N N 113 119.700 118.536 1.164 1 1 1108 . 16 1 1 A 91 91 GLY H H 114 8.600 7.571 1.029 1 1 1109 . 16 1 1 A 91 91 GLY HA2 H 114 4.260 3.837 0.423 1 1 1110 . 16 1 1 A 91 91 GLY HA3 H 114 3.720 3.948 -0.228 1 1 1111 . 16 1 1 A 91 91 GLY C C 114 175.300 175.063 0.237 1 1 1112 . 16 1 1 A 91 91 GLY CA C 114 45.700 45.135 0.565 1 1 1113 . 16 1 1 A 91 91 GLY N N 114 111.300 111.767 -0.467 1 1 1114 . 16 1 1 A 92 92 SER H H 115 9.190 8.949 0.241 1 1 1115 . 16 1 1 A 92 92 SER HA H 115 3.890 4.115 -0.225 1 1 1118 . 16 1 1 A 92 92 SER C C 115 174.500 176.954 -2.454 1 1 1119 . 16 1 1 A 92 92 SER CA C 115 58.600 61.030 -2.430 1 1 1120 . 16 1 1 A 92 92 SER CB C 115 61.300 62.873 -1.573 1 1 1121 . 16 1 1 A 92 92 SER N N 115 121.000 118.061 2.939 1 1 1122 . 16 1 1 A 93 93 LEU H H 116 7.720 7.740 -0.020 1 1 1123 . 16 1 1 A 93 93 LEU HA H 116 4.250 4.097 0.153 1 1 1133 . 16 1 1 A 93 93 LEU C C 116 179.100 176.927 2.173 1 1 1134 . 16 1 1 A 93 93 LEU CA C 116 57.200 57.246 -0.046 1 1 1135 . 16 1 1 A 93 93 LEU CB C 116 42.100 42.815 -0.715 1 1 1139 . 16 1 1 A 93 93 LEU N N 116 120.500 117.628 2.872 1 1 1140 . 16 1 1 A 94 94 ASN H H 117 8.450 8.074 0.376 1 1 1141 . 16 1 1 A 94 94 ASN HA H 117 4.870 4.218 0.652 1 1 1146 . 16 1 1 A 94 94 ASN C C 117 175.800 175.809 -0.009 1 1 1147 . 16 1 1 A 94 94 ASN CA C 117 54.000 53.789 0.211 1 1 1148 . 16 1 1 A 94 94 ASN CB C 117 40.100 36.802 3.298 1 1 1150 . 16 1 1 A 94 94 ASN N N 117 112.500 117.680 -5.180 1 1 1152 . 16 1 1 A 95 95 GLY H H 118 7.940 7.775 0.165 1 1 1153 . 16 1 1 A 95 95 GLY HA2 H 118 4.190 3.799 0.391 1 1 1154 . 16 1 1 A 95 95 GLY HA3 H 118 3.610 4.031 -0.421 1 1 1155 . 16 1 1 A 95 95 GLY C C 118 174.000 173.638 0.362 1 1 1156 . 16 1 1 A 95 95 GLY CA C 118 44.300 45.227 -0.927 1 1 1157 . 16 1 1 A 95 95 GLY N N 118 109.800 112.234 -2.434 1 1 1158 . 16 1 1 A 96 96 THR H H 119 8.940 7.209 1.731 1 1 1159 . 16 1 1 A 96 96 THR HA H 119 3.820 4.437 -0.617 1 1 1165 . 16 1 1 A 96 96 THR C C 119 172.300 173.320 -1.020 1 1 1166 . 16 1 1 A 96 96 THR CA C 119 64.100 62.869 1.231 1 1 1167 . 16 1 1 A 96 96 THR CB C 119 70.200 69.380 0.820 1 1 1169 . 16 1 1 A 96 96 THR N N 119 122.000 114.742 7.258 1 1 1170 . 16 1 1 A 97 97 TYR H H 120 8.220 8.865 -0.645 1 1 1171 . 16 1 1 A 97 97 TYR HA H 120 5.340 5.237 0.103 1 1 1178 . 16 1 1 A 97 97 TYR C C 120 175.900 174.613 1.287 1 1 1179 . 16 1 1 A 97 97 TYR CA C 120 55.600 56.425 -0.825 1 1 1180 . 16 1 1 A 97 97 TYR CB C 120 41.400 43.093 -1.693 1 1 1185 . 16 1 1 A 97 97 TYR N N 120 122.800 125.221 -2.421 1 1 1186 . 16 1 1 A 98 98 VAL H H 121 9.040 9.005 0.035 1 1 1187 . 16 1 1 A 98 98 VAL HA H 121 5.010 4.983 0.027 1 1 1195 . 16 1 1 A 98 98 VAL C C 121 176.900 174.620 2.280 1 1 1196 . 16 1 1 A 98 98 VAL CA C 121 61.100 60.224 0.876 1 1 1197 . 16 1 1 A 98 98 VAL CB C 121 33.000 35.761 -2.761 1 1 1200 . 16 1 1 A 98 98 VAL N N 121 121.400 119.771 1.629 1 1 1201 . 16 1 1 A 99 99 ASN H H 122 10.100 8.766 1.334 1 1 1202 . 16 1 1 A 99 99 ASN HA H 122 4.440 4.546 -0.106 1 1 1207 . 16 1 1 A 99 99 ASN C C 122 174.500 176.063 -1.563 1 1 1208 . 16 1 1 A 99 99 ASN CA C 122 55.000 53.444 1.556 1 1 1209 . 16 1 1 A 99 99 ASN CB C 122 37.000 39.463 -2.463 1 1 1211 . 16 1 1 A 99 99 ASN N N 122 129.400 123.995 5.405 1 1 1213 . 16 1 1 A 100 100 ARG H H 123 9.290 8.956 0.334 1 1 1214 . 16 1 1 A 100 100 ARG HA H 123 3.680 3.948 -0.268 1 1 1222 . 16 1 1 A 100 100 ARG C C 123 175.200 174.774 0.426 1 1 1223 . 16 1 1 A 100 100 ARG CA C 123 58.100 58.356 -0.256 1 1 1224 . 16 1 1 A 100 100 ARG CB C 123 27.600 28.882 -1.282 1 1 1227 . 16 1 1 A 100 100 ARG N N 123 106.100 117.321 -11.221 1 1 1229 . 16 1 1 A 101 101 GLU H H 124 7.970 8.595 -0.625 1 1 1230 . 16 1 1 A 101 101 GLU HA H 124 5.110 4.845 0.265 1 1 1235 . 16 1 1 A 101 101 GLU CA C 124 53.000 53.000 0.000 1 1 1236 . 16 1 1 A 101 101 GLU CB C 124 30.900 30.920 -0.020 1 1 1238 . 16 1 1 A 101 101 GLU N N 124 121.300 119.814 1.486 1 1 1239 . 16 1 1 A 102 102 PRO HA H 125 4.050 4.568 -0.518 1 1 1246 . 16 1 1 A 102 102 PRO C C 125 177.500 176.302 1.198 1 1 1247 . 16 1 1 A 102 102 PRO CA C 125 62.300 63.323 -1.023 1 1 1248 . 16 1 1 A 102 102 PRO CB C 125 31.300 32.365 -1.065 1 1 1251 . 16 1 1 A 103 103 VAL H H 126 8.330 8.129 0.201 1 1 1252 . 16 1 1 A 103 103 VAL HA H 126 4.700 4.849 -0.149 1 1 1260 . 16 1 1 A 103 103 VAL C C 126 174.500 175.680 -1.180 1 1 1261 . 16 1 1 A 103 103 VAL CA C 126 58.900 59.462 -0.562 1 1 1262 . 16 1 1 A 103 103 VAL CB C 126 35.300 35.484 -0.184 1 1 1265 . 16 1 1 A 103 103 VAL N N 126 115.000 116.492 -1.492 1 1 1266 . 16 1 1 A 104 104 ASP H H 127 8.520 8.999 -0.479 1 1 1267 . 16 1 1 A 104 104 ASP HA H 127 4.780 4.465 0.315 1 1 1270 . 16 1 1 A 104 104 ASP C C 127 176.200 175.985 0.215 1 1 1271 . 16 1 1 A 104 104 ASP CA C 127 55.800 56.317 -0.517 1 1 1272 . 16 1 1 A 104 104 ASP CB C 127 41.100 41.496 -0.396 1 1 1273 . 16 1 1 A 104 104 ASP N N 127 120.800 121.711 -0.911 1 1 1274 . 16 1 1 A 105 105 SER H H 128 7.650 7.903 -0.253 1 1 1275 . 16 1 1 A 105 105 SER HA H 128 5.440 4.842 0.598 1 1 1278 . 16 1 1 A 105 105 SER C C 128 173.400 172.815 0.585 1 1 1279 . 16 1 1 A 105 105 SER CA C 128 56.600 57.438 -0.838 1 1 1280 . 16 1 1 A 105 105 SER CB C 128 65.000 65.670 -0.670 1 1 1281 . 16 1 1 A 105 105 SER N N 128 111.500 110.619 0.881 1 1 1282 . 16 1 1 A 106 106 ALA H H 129 8.790 8.129 0.661 1 1 1283 . 16 1 1 A 106 106 ALA HA H 129 4.610 4.890 -0.280 1 1 1287 . 16 1 1 A 106 106 ALA C C 129 175.300 175.892 -0.592 1 1 1288 . 16 1 1 A 106 106 ALA CA C 129 52.100 51.390 0.710 1 1 1289 . 16 1 1 A 106 106 ALA CB C 129 22.600 22.871 -0.271 1 1 1290 . 16 1 1 A 106 106 ALA N N 129 125.100 121.620 3.480 1 1 1291 . 16 1 1 A 107 107 VAL H H 130 8.340 8.653 -0.313 1 1 1292 . 16 1 1 A 107 107 VAL HA H 130 4.160 4.584 -0.424 1 1 1300 . 16 1 1 A 107 107 VAL C C 130 176.300 175.884 0.416 1 1 1301 . 16 1 1 A 107 107 VAL CA C 130 62.600 61.557 1.043 1 1 1302 . 16 1 1 A 107 107 VAL CB C 130 32.000 32.749 -0.749 1 1 1305 . 16 1 1 A 107 107 VAL N N 130 122.800 119.191 3.609 1 1 1306 . 16 1 1 A 108 108 LEU H H 131 8.490 8.461 0.029 1 1 1307 . 16 1 1 A 108 108 LEU HA H 131 4.370 4.276 0.094 1 1 1317 . 16 1 1 A 108 108 LEU C C 131 175.200 175.527 -0.327 1 1 1318 . 16 1 1 A 108 108 LEU CA C 131 54.200 54.449 -0.249 1 1 1319 . 16 1 1 A 108 108 LEU CB C 131 43.000 41.865 1.135 1 1 1323 . 16 1 1 A 108 108 LEU N N 131 128.900 128.073 0.827 1 1 1324 . 16 1 1 A 109 109 ALA H H 132 9.130 8.349 0.781 1 1 1325 . 16 1 1 A 109 109 ALA HA H 132 4.750 4.664 0.086 1 1 1329 . 16 1 1 A 109 109 ALA C C 132 176.500 176.110 0.390 1 1 1330 . 16 1 1 A 109 109 ALA CA C 132 49.700 50.734 -1.034 1 1 1331 . 16 1 1 A 109 109 ALA CB C 132 22.400 23.484 -1.084 1 1 1332 . 16 1 1 A 109 109 ALA N N 132 126.000 122.690 3.310 1 1 1333 . 16 1 1 A 110 110 ASN H H 133 8.860 8.708 0.152 1 1 1334 . 16 1 1 A 110 110 ASN HA H 133 4.430 4.808 -0.378 1 1 1339 . 16 1 1 A 110 110 ASN C C 133 176.400 176.031 0.369 1 1 1340 . 16 1 1 A 110 110 ASN CA C 133 56.400 54.681 1.719 1 1 1341 . 16 1 1 A 110 110 ASN CB C 133 39.800 38.044 1.756 1 1 1343 . 16 1 1 A 110 110 ASN N N 133 117.600 116.599 1.001 1 1 1345 . 16 1 1 A 111 111 GLY H H 134 10.100 9.422 0.678 1 1 1346 . 16 1 1 A 111 111 GLY HA2 H 134 4.430 3.904 0.526 1 1 1347 . 16 1 1 A 111 111 GLY HA3 H 134 3.410 3.914 -0.504 1 1 1348 . 16 1 1 A 111 111 GLY C C 134 174.800 173.669 1.131 1 1 1349 . 16 1 1 A 111 111 GLY CA C 134 45.100 45.663 -0.563 1 1 1350 . 16 1 1 A 111 111 GLY N N 134 117.200 111.974 5.226 1 1 1351 . 16 1 1 A 112 112 ASP H H 135 8.640 7.977 0.663 1 1 1352 . 16 1 1 A 112 112 ASP HA H 135 4.430 4.881 -0.451 1 1 1355 . 16 1 1 A 112 112 ASP C C 135 174.700 174.992 -0.292 1 1 1356 . 16 1 1 A 112 112 ASP CA C 135 56.200 53.450 2.750 1 1 1357 . 16 1 1 A 112 112 ASP CB C 135 42.100 42.528 -0.428 1 1 1358 . 16 1 1 A 112 112 ASP N N 135 122.900 121.442 1.458 1 1 1359 . 16 1 1 A 113 113 GLU H H 136 8.360 8.678 -0.318 1 1 1360 . 16 1 1 A 113 113 GLU HA H 136 5.220 5.068 0.152 1 1 1365 . 16 1 1 A 113 113 GLU C C 136 176.000 175.229 0.771 1 1 1366 . 16 1 1 A 113 113 GLU CA C 136 54.400 55.136 -0.736 1 1 1367 . 16 1 1 A 113 113 GLU CB C 136 32.900 32.797 0.103 1 1 1369 . 16 1 1 A 113 113 GLU N N 136 119.000 124.034 -5.034 1 1 1370 . 16 1 1 A 114 114 VAL H H 137 9.800 9.207 0.593 1 1 1371 . 16 1 1 A 114 114 VAL HA H 137 5.160 4.947 0.213 1 1 1379 . 16 1 1 A 114 114 VAL C C 137 174.400 174.483 -0.083 1 1 1380 . 16 1 1 A 114 114 VAL CA C 137 60.400 60.953 -0.553 1 1 1381 . 16 1 1 A 114 114 VAL CB C 137 34.300 35.223 -0.923 1 1 1384 . 16 1 1 A 114 114 VAL N N 137 129.000 126.067 2.933 1 1 1385 . 16 1 1 A 115 115 GLN H H 138 9.610 8.911 0.699 1 1 1386 . 16 1 1 A 115 115 GLN HA H 138 5.430 5.312 0.118 1 1 1393 . 16 1 1 A 115 115 GLN C C 138 174.800 174.829 -0.029 1 1 1394 . 16 1 1 A 115 115 GLN CA C 138 54.500 54.336 0.164 1 1 1395 . 16 1 1 A 115 115 GLN CB C 138 30.700 31.532 -0.832 1 1 1398 . 16 1 1 A 115 115 GLN N N 138 129.300 127.696 1.604 1 1 1399 . 16 1 1 A 116 116 ILE H H 139 8.400 8.542 -0.142 1 1 1400 . 16 1 1 A 116 116 ILE HA H 139 4.020 4.602 -0.582 1 1 1410 . 16 1 1 A 116 116 ILE C C 139 174.500 176.319 -1.819 1 1 1411 . 16 1 1 A 116 116 ILE CA C 139 60.600 60.067 0.533 1 1 1412 . 16 1 1 A 116 116 ILE CB C 139 40.900 40.626 0.274 1 1 1416 . 16 1 1 A 116 116 ILE N N 139 128.300 127.029 1.271 1 1 1417 . 16 1 1 A 117 117 GLY H H 140 9.650 9.421 0.229 1 1 1418 . 16 1 1 A 117 117 GLY HA2 H 140 3.820 3.821 -0.001 1 1 1419 . 16 1 1 A 117 117 GLY HA3 H 140 3.630 3.921 -0.291 1 1 1420 . 16 1 1 A 117 117 GLY C C 140 175.400 174.940 0.460 1 1 1421 . 16 1 1 A 117 117 GLY CA C 140 46.500 46.361 0.139 1 1 1422 . 16 1 1 A 117 117 GLY N N 140 116.800 117.001 -0.201 1 1 1423 . 16 1 1 A 118 118 LYS H H 141 7.960 8.538 -0.578 1 1 1424 . 16 1 1 A 118 118 LYS HA H 141 4.070 4.164 -0.094 1 1 1433 . 16 1 1 A 118 118 LYS C C 141 175.600 175.011 0.589 1 1 1434 . 16 1 1 A 118 118 LYS CA C 141 56.700 57.739 -1.039 1 1 1435 . 16 1 1 A 118 118 LYS CB C 141 32.600 32.089 0.511 1 1 1439 . 16 1 1 A 118 118 LYS N N 141 122.400 117.467 4.933 1 1 1440 . 16 1 1 A 119 119 PHE H H 142 8.260 7.624 0.636 1 1 1441 . 16 1 1 A 119 119 PHE HA H 142 4.540 4.574 -0.034 1 1 1449 . 16 1 1 A 119 119 PHE C C 142 174.700 176.023 -1.323 1 1 1450 . 16 1 1 A 119 119 PHE CA C 142 58.200 58.410 -0.210 1 1 1451 . 16 1 1 A 119 119 PHE CB C 142 39.900 39.811 0.089 1 1 1456 . 16 1 1 A 119 119 PHE N N 142 119.500 120.007 -0.507 1 1 1457 . 16 1 1 A 120 120 ARG H H 143 8.690 8.631 0.059 1 1 1458 . 16 1 1 A 120 120 ARG HA H 143 5.020 4.899 0.121 1 1 1465 . 16 1 1 A 120 120 ARG C C 143 174.800 175.319 -0.519 1 1 1466 . 16 1 1 A 120 120 ARG CA C 143 55.100 55.802 -0.702 1 1 1467 . 16 1 1 A 120 120 ARG CB C 143 32.800 31.186 1.614 1 1 1470 . 16 1 1 A 120 120 ARG N N 143 121.500 122.357 -0.857 1 1 1471 . 16 1 1 A 121 121 LEU H H 144 9.760 9.282 0.478 1 1 1472 . 16 1 1 A 121 121 LEU HA H 144 5.420 5.204 0.216 1 1 1482 . 16 1 1 A 121 121 LEU C C 144 175.000 175.605 -0.605 1 1 1483 . 16 1 1 A 121 121 LEU CA C 144 53.900 53.363 0.537 1 1 1484 . 16 1 1 A 121 121 LEU CB C 144 44.900 45.894 -0.994 1 1 1488 . 16 1 1 A 121 121 LEU N N 144 126.400 125.955 0.445 1 1 1489 . 16 1 1 A 122 122 VAL H H 145 9.370 8.972 0.398 1 1 1490 . 16 1 1 A 122 122 VAL HA H 145 5.010 5.225 -0.215 1 1 1498 . 16 1 1 A 122 122 VAL C C 145 173.700 173.251 0.449 1 1 1499 . 16 1 1 A 122 122 VAL CA C 145 60.800 59.465 1.335 1 1 1500 . 16 1 1 A 122 122 VAL CB C 145 34.300 35.277 -0.977 1 1 1503 . 16 1 1 A 122 122 VAL N N 145 121.900 121.258 0.642 1 1 1504 . 16 1 1 A 123 123 PHE H H 146 8.830 9.104 -0.274 1 1 1505 . 16 1 1 A 123 123 PHE HA H 146 4.980 4.773 0.207 1 1 1513 . 16 1 1 A 123 123 PHE C C 146 172.700 174.021 -1.321 1 1 1514 . 16 1 1 A 123 123 PHE CA C 146 57.100 56.699 0.401 1 1 1515 . 16 1 1 A 123 123 PHE CB C 146 41.100 40.058 1.042 1 1 1521 . 16 1 1 A 123 123 PHE N N 146 128.700 129.639 -0.939 1 1 1522 . 16 1 1 A 124 124 LEU H H 147 8.650 8.408 0.242 1 1 1523 . 16 1 1 A 124 124 LEU HA H 147 5.020 5.115 -0.095 1 1 1533 . 16 1 1 A 124 124 LEU C C 147 175.300 175.963 -0.663 1 1 1534 . 16 1 1 A 124 124 LEU CA C 147 52.600 53.440 -0.840 1 1 1535 . 16 1 1 A 124 124 LEU CB C 147 45.600 45.914 -0.314 1 1 1539 . 16 1 1 A 124 124 LEU N N 147 128.000 128.870 -0.870 1 1 1540 . 16 1 1 A 125 125 THR H H 148 8.300 8.450 -0.150 1 1 1541 . 16 1 1 A 125 125 THR HA H 148 4.330 4.999 -0.669 1 1 1546 . 16 1 1 A 125 125 THR C C 148 173.900 175.647 -1.747 1 1 1547 . 16 1 1 A 125 125 THR CA C 148 60.200 59.376 0.824 1 1 1548 . 16 1 1 A 125 125 THR CB C 148 70.300 71.967 -1.667 1 1 1550 . 16 1 1 A 125 125 THR N N 148 110.600 111.884 -1.284 1 1 1551 . 16 1 1 A 126 126 GLY H H 149 8.310 8.905 -0.595 1 1 1552 . 16 1 1 A 126 126 GLY HA2 H 149 3.840 3.844 -0.004 1 1 1553 . 16 1 1 A 126 126 GLY HA3 H 149 3.840 3.853 -0.013 1 1 1554 . 16 1 1 A 126 126 GLY CA C 149 45.200 47.370 -2.170 1 1 1555 . 16 1 1 A 126 126 GLY N N 149 109.800 109.941 -0.141 1 1 1556 . 16 1 1 A 127 127 HIS H H 150 8.310 8.192 0.118 1 1 1557 . 16 1 1 A 127 127 HIS HA H 150 4.630 4.321 0.309 1 1 1562 . 16 1 1 A 127 127 HIS C C 150 174.800 174.355 0.445 1 1 1563 . 16 1 1 A 127 127 HIS CA C 150 55.900 56.632 -0.732 1 1 1564 . 16 1 1 A 127 127 HIS CB C 150 30.700 28.136 2.564 1 1 1567 . 16 1 1 A 127 127 HIS N N 150 119.300 117.985 1.315 1 1 1570 . 16 1 1 A 128 128 LYS H H 151 8.490 8.238 0.252 1 1 1571 . 16 1 1 A 128 128 LYS HA H 151 4.300 4.161 0.139 1 1 1580 . 16 1 1 A 128 128 LYS C C 151 176.200 176.222 -0.022 1 1 1581 . 16 1 1 A 128 128 LYS CA C 151 56.100 55.996 0.104 1 1 1582 . 16 1 1 A 128 128 LYS CB C 151 33.200 33.153 0.047 1 1 1586 . 16 1 1 A 128 128 LYS N N 151 123.800 125.970 -2.170 1 1 1587 . 16 1 1 A 129 129 GLN H H 152 8.640 8.434 0.206 1 1 1588 . 16 1 1 A 129 129 GLN HA H 152 4.270 4.217 0.053 1 1 1595 . 16 1 1 A 129 129 GLN C C 152 176.500 175.735 0.765 1 1 1596 . 16 1 1 A 129 129 GLN CA C 152 56.400 55.996 0.404 1 1 1597 . 16 1 1 A 129 129 GLN CB C 152 29.500 29.015 0.485 1 1 1600 . 16 1 1 A 129 129 GLN N N 152 122.900 120.631 2.269 1 1 1602 . 16 1 1 A 130 130 GLY H H 153 8.640 8.265 0.375 1 1 1603 . 16 1 1 A 130 130 GLY HA2 H 153 3.990 4.122 -0.132 1 1 1604 . 16 1 1 A 130 130 GLY HA3 H 153 3.910 4.145 -0.235 1 1 1605 . 16 1 1 A 130 130 GLY C C 153 174.100 171.470 2.630 1 1 1606 . 16 1 1 A 130 130 GLY CA C 153 45.400 45.502 -0.102 1 1 1607 . 16 1 1 A 130 130 GLY N N 153 111.100 107.787 3.313 1 1 1608 . 16 1 1 A 131 131 GLU H H 154 8.220 8.402 -0.182 1 1 1609 . 16 1 1 A 131 131 GLU HA H 154 4.260 4.579 -0.319 1 1 1614 . 16 1 1 A 131 131 GLU C C 154 176.100 175.254 0.846 1 1 1615 . 16 1 1 A 131 131 GLU CA C 154 56.600 55.288 1.312 1 1 1616 . 16 1 1 A 131 131 GLU CB C 154 30.600 29.928 0.672 1 1 1618 . 16 1 1 A 131 131 GLU N N 154 120.500 120.814 -0.314 1 1 1619 . 16 1 1 A 132 132 ASP H H 155 8.530 8.754 -0.224 1 1 1620 . 16 1 1 A 132 132 ASP HA H 155 4.560 4.632 -0.072 1 1 1623 . 16 1 1 A 132 132 ASP C C 155 176.300 176.896 -0.596 1 1 1624 . 16 1 1 A 132 132 ASP CA C 155 54.300 54.426 -0.126 1 1 1625 . 16 1 1 A 132 132 ASP CB C 155 41.000 42.700 -1.700 1 1 1626 . 16 1 1 A 132 132 ASP N N 155 121.300 128.781 -7.481 1 1 1627 . 16 1 1 A 133 133 LEU H H 156 8.230 8.821 -0.591 1 1 1628 . 16 1 1 A 133 133 LEU HA H 156 4.200 3.895 0.305 1 1 1638 . 16 1 1 A 133 133 LEU C C 156 177.700 176.867 0.833 1 1 1639 . 16 1 1 A 133 133 LEU CA C 156 55.500 58.043 -2.543 1 1 1640 . 16 1 1 A 133 133 LEU CB C 156 42.100 41.592 0.508 1 1 1644 . 16 1 1 A 133 133 LEU N N 156 122.500 126.006 -3.506 1 1 1645 . 16 1 1 A 134 134 GLU H H 157 8.270 7.834 0.436 1 1 1646 . 16 1 1 A 134 134 GLU HA H 157 4.100 4.047 0.053 1 1 1651 . 16 1 1 A 134 134 GLU C C 157 177.300 176.368 0.932 1 1 1652 . 16 1 1 A 134 134 GLU CA C 157 56.900 57.010 -0.110 1 1 1653 . 16 1 1 A 134 134 GLU CB C 157 30.000 28.336 1.664 1 1 1655 . 16 1 1 A 134 134 GLU N N 157 119.800 115.922 3.878 1 1 1656 . 16 1 1 A 135 135 HIS H H 158 8.150 7.837 0.313 1 1 1657 . 16 1 1 A 135 135 HIS HA H 158 4.530 4.213 0.317 1 1 1662 . 16 1 1 A 135 135 HIS CA C 158 56.100 59.046 -2.946 1 1 1663 . 16 1 1 A 135 135 HIS CB C 158 30.000 29.507 0.493 1 1 1664 . 16 1 1 A 135 135 HIS N N 158 118.500 122.756 -4.256 1 1 1665 . 16 1 1 A 139 139 HIS HA H 162 4.590 4.878 -0.288 1 1 1668 . 16 1 1 A 139 139 HIS C C 162 173.900 174.796 -0.896 1 1 1669 . 16 1 1 A 139 139 HIS CA C 162 55.900 55.233 0.667 1 1 1670 . 16 1 1 A 139 139 HIS CB C 162 30.100 30.598 -0.498 1 1 15 . 17 1 1 A 2 2 PHE H H 25 8.640 7.807 0.833 1 1 16 . 17 1 1 A 2 2 PHE HA H 25 4.630 4.422 0.208 1 1 24 . 17 1 1 A 2 2 PHE C C 25 175.000 175.733 -0.733 1 1 25 . 17 1 1 A 2 2 PHE CA C 25 58.000 58.893 -0.893 1 1 26 . 17 1 1 A 2 2 PHE CB C 25 39.700 39.796 -0.096 1 1 31 . 17 1 1 A 3 3 ARG H H 26 8.210 7.814 0.396 1 1 32 . 17 1 1 A 3 3 ARG HA H 26 4.200 3.972 0.228 1 1 40 . 17 1 1 A 3 3 ARG C C 26 175.100 175.575 -0.475 1 1 41 . 17 1 1 A 3 3 ARG CA C 26 55.600 56.223 -0.623 1 1 42 . 17 1 1 A 3 3 ARG CB C 26 31.300 30.429 0.871 1 1 45 . 17 1 1 A 3 3 ARG N N 26 125.000 124.449 0.551 1 1 47 . 17 1 1 A 4 4 ALA H H 27 8.260 8.300 -0.040 1 1 48 . 17 1 1 A 4 4 ALA HA H 27 4.090 4.475 -0.385 1 1 52 . 17 1 1 A 4 4 ALA C C 27 177.300 176.881 0.419 1 1 53 . 17 1 1 A 4 4 ALA CA C 27 52.800 50.484 2.316 1 1 54 . 17 1 1 A 4 4 ALA CB C 27 19.200 18.679 0.521 1 1 55 . 17 1 1 A 4 4 ALA N N 27 125.400 126.856 -1.456 1 1 56 . 17 1 1 A 5 5 ASP H H 28 8.260 8.221 0.039 1 1 57 . 17 1 1 A 5 5 ASP HA H 28 4.470 4.381 0.089 1 1 60 . 17 1 1 A 5 5 ASP C C 28 176.200 174.803 1.397 1 1 61 . 17 1 1 A 5 5 ASP CA C 28 54.500 55.578 -1.078 1 1 62 . 17 1 1 A 5 5 ASP CB C 28 40.700 40.719 -0.019 1 1 63 . 17 1 1 A 5 5 ASP N N 28 118.200 121.156 -2.956 1 1 64 . 17 1 1 A 6 6 PHE H H 29 7.930 7.327 0.603 1 1 65 . 17 1 1 A 6 6 PHE HA H 29 4.510 4.658 -0.148 1 1 73 . 17 1 1 A 6 6 PHE C C 29 175.700 173.100 2.600 1 1 74 . 17 1 1 A 6 6 PHE CA C 29 58.000 56.408 1.592 1 1 75 . 17 1 1 A 6 6 PHE CB C 29 39.300 40.393 -1.093 1 1 81 . 17 1 1 A 6 6 PHE N N 29 119.400 113.797 5.603 1 1 82 . 17 1 1 A 7 7 LEU H H 30 8.000 9.037 -1.037 1 1 83 . 17 1 1 A 7 7 LEU HA H 30 4.210 4.158 0.052 1 1 93 . 17 1 1 A 7 7 LEU C C 30 177.400 176.358 1.042 1 1 94 . 17 1 1 A 7 7 LEU CA C 30 55.400 54.588 0.812 1 1 95 . 17 1 1 A 7 7 LEU CB C 30 42.200 40.805 1.395 1 1 99 . 17 1 1 A 7 7 LEU N N 30 122.100 121.508 0.592 1 1 100 . 17 1 1 A 8 8 SER H H 31 8.130 7.961 0.169 1 1 101 . 17 1 1 A 8 8 SER HA H 31 4.330 3.823 0.507 1 1 104 . 17 1 1 A 8 8 SER C C 31 174.900 173.919 0.981 1 1 105 . 17 1 1 A 8 8 SER CA C 31 58.800 58.214 0.586 1 1 106 . 17 1 1 A 8 8 SER CB C 31 63.800 63.700 0.100 1 1 107 . 17 1 1 A 8 8 SER N N 31 116.000 119.512 -3.512 1 1 108 . 17 1 1 A 9 9 GLU H H 32 8.380 8.757 -0.377 1 1 109 . 17 1 1 A 9 9 GLU HA H 32 4.240 4.848 -0.608 1 1 114 . 17 1 1 A 9 9 GLU C C 32 176.600 175.831 0.769 1 1 115 . 17 1 1 A 9 9 GLU CA C 32 57.000 55.348 1.652 1 1 116 . 17 1 1 A 9 9 GLU CB C 32 30.000 32.535 -2.535 1 1 118 . 17 1 1 A 9 9 GLU N N 32 122.200 118.901 3.299 1 1 119 . 17 1 1 A 10 10 LEU H H 33 7.990 8.666 -0.676 1 1 120 . 17 1 1 A 10 10 LEU HA H 33 4.220 4.166 0.054 1 1 130 . 17 1 1 A 10 10 LEU C C 33 177.100 176.781 0.319 1 1 131 . 17 1 1 A 10 10 LEU CA C 33 55.500 58.434 -2.934 1 1 132 . 17 1 1 A 10 10 LEU CB C 33 42.200 41.498 0.702 1 1 136 . 17 1 1 A 10 10 LEU N N 33 121.200 122.166 -0.966 1 1 137 . 17 1 1 A 11 11 ASP H H 34 8.090 8.061 0.029 1 1 138 . 17 1 1 A 11 11 ASP HA H 34 4.550 4.624 -0.074 1 1 141 . 17 1 1 A 11 11 ASP C C 34 175.400 176.079 -0.679 1 1 142 . 17 1 1 A 11 11 ASP CA C 34 54.200 55.267 -1.067 1 1 143 . 17 1 1 A 11 11 ASP CB C 34 41.300 40.816 0.484 1 1 144 . 17 1 1 A 11 11 ASP N N 34 120.000 118.847 1.153 1 1 145 . 17 1 1 A 12 12 ALA H H 35 7.950 8.709 -0.759 1 1 146 . 17 1 1 A 12 12 ALA HA H 35 4.510 4.816 -0.306 1 1 150 . 17 1 1 A 12 12 ALA CA C 35 50.800 50.179 0.621 1 1 151 . 17 1 1 A 12 12 ALA CB C 35 18.300 19.108 -0.808 1 1 152 . 17 1 1 A 12 12 ALA N N 35 124.600 123.791 0.809 1 1 153 . 17 1 1 A 13 13 PRO HA H 36 4.360 4.728 -0.368 1 1 160 . 17 1 1 A 13 13 PRO C C 36 176.900 175.362 1.538 1 1 161 . 17 1 1 A 13 13 PRO CA C 36 63.200 62.790 0.410 1 1 162 . 17 1 1 A 13 13 PRO CB C 36 32.000 33.294 -1.294 1 1 165 . 17 1 1 A 14 14 ALA H H 37 8.390 8.301 0.089 1 1 166 . 17 1 1 A 14 14 ALA HA H 37 4.230 4.481 -0.251 1 1 170 . 17 1 1 A 14 14 ALA C C 37 177.900 177.005 0.895 1 1 171 . 17 1 1 A 14 14 ALA CA C 37 52.600 51.955 0.645 1 1 172 . 17 1 1 A 14 14 ALA CB C 37 19.300 19.395 -0.095 1 1 173 . 17 1 1 A 14 14 ALA N N 37 123.900 121.817 2.083 1 1 174 . 17 1 1 A 15 15 GLN H H 38 8.330 8.383 -0.053 1 1 175 . 17 1 1 A 15 15 GLN HA H 38 4.280 4.393 -0.113 1 1 182 . 17 1 1 A 15 15 GLN C C 38 175.800 175.855 -0.055 1 1 183 . 17 1 1 A 15 15 GLN CA C 38 55.700 56.114 -0.414 1 1 184 . 17 1 1 A 15 15 GLN CB C 38 29.600 29.929 -0.329 1 1 187 . 17 1 1 A 15 15 GLN N N 38 119.300 117.071 2.229 1 1 189 . 17 1 1 A 16 16 ALA H H 39 8.410 7.645 0.765 1 1 190 . 17 1 1 A 16 16 ALA HA H 39 4.070 4.259 -0.189 1 1 194 . 17 1 1 A 16 16 ALA C C 39 178.200 178.319 -0.119 1 1 195 . 17 1 1 A 16 16 ALA CA C 39 52.800 53.340 -0.540 1 1 196 . 17 1 1 A 16 16 ALA CB C 39 19.300 18.728 0.572 1 1 197 . 17 1 1 A 16 16 ALA N N 39 125.600 123.007 2.593 1 1 198 . 17 1 1 A 17 17 GLY H H 40 8.510 8.955 -0.445 1 1 199 . 17 1 1 A 17 17 GLY HA2 H 40 4.010 3.784 0.226 1 1 200 . 17 1 1 A 17 17 GLY HA3 H 40 4.010 3.785 0.225 1 1 201 . 17 1 1 A 17 17 GLY C C 40 174.600 174.000 0.600 1 1 202 . 17 1 1 A 17 17 GLY CA C 40 45.400 47.048 -1.648 1 1 203 . 17 1 1 A 17 17 GLY N N 40 108.500 110.954 -2.454 1 1 204 . 17 1 1 A 18 18 THR H H 41 8.020 7.828 0.192 1 1 205 . 17 1 1 A 18 18 THR HA H 41 4.320 4.347 -0.027 1 1 210 . 17 1 1 A 18 18 THR C C 41 174.900 173.768 1.132 1 1 211 . 17 1 1 A 18 18 THR CA C 41 62.100 62.226 -0.126 1 1 212 . 17 1 1 A 18 18 THR CB C 41 69.900 69.690 0.210 1 1 214 . 17 1 1 A 18 18 THR N N 41 112.900 112.895 0.005 1 1 215 . 17 1 1 A 19 19 GLU H H 42 8.630 8.465 0.165 1 1 216 . 17 1 1 A 19 19 GLU HA H 42 4.300 4.505 -0.205 1 1 221 . 17 1 1 A 19 19 GLU C C 42 176.600 176.872 -0.272 1 1 222 . 17 1 1 A 19 19 GLU CA C 42 56.900 56.519 0.381 1 1 223 . 17 1 1 A 19 19 GLU CB C 42 30.000 31.780 -1.780 1 1 225 . 17 1 1 A 19 19 GLU N N 42 123.000 125.748 -2.748 1 1 226 . 17 1 1 A 20 20 SER H H 43 8.330 9.023 -0.693 1 1 227 . 17 1 1 A 20 20 SER HA H 43 4.400 4.024 0.376 1 1 230 . 17 1 1 A 20 20 SER C C 43 174.300 174.303 -0.003 1 1 231 . 17 1 1 A 20 20 SER CA C 43 58.500 61.758 -3.258 1 1 232 . 17 1 1 A 20 20 SER CB C 43 63.900 63.252 0.648 1 1 233 . 17 1 1 A 20 20 SER N N 43 116.600 121.596 -4.996 1 1 234 . 17 1 1 A 21 21 ALA H H 44 8.320 7.930 0.390 1 1 235 . 17 1 1 A 21 21 ALA HA H 44 4.300 4.020 0.280 1 1 239 . 17 1 1 A 21 21 ALA C C 44 177.700 177.612 0.088 1 1 240 . 17 1 1 A 21 21 ALA CA C 44 52.700 52.911 -0.211 1 1 241 . 17 1 1 A 21 21 ALA CB C 44 19.300 17.220 2.080 1 1 242 . 17 1 1 A 21 21 ALA N N 44 126.000 121.172 4.828 1 1 243 . 17 1 1 A 22 22 VAL H H 45 8.040 8.143 -0.103 1 1 244 . 17 1 1 A 22 22 VAL HA H 45 4.100 4.277 -0.177 1 1 252 . 17 1 1 A 22 22 VAL C C 45 176.100 176.222 -0.122 1 1 253 . 17 1 1 A 22 22 VAL CA C 45 62.300 61.856 0.444 1 1 254 . 17 1 1 A 22 22 VAL CB C 45 32.700 32.242 0.458 1 1 257 . 17 1 1 A 22 22 VAL N N 45 118.100 113.939 4.161 1 1 258 . 17 1 1 A 23 23 SER H H 46 8.370 7.520 0.850 1 1 259 . 17 1 1 A 23 23 SER HA H 46 4.410 4.435 -0.025 1 1 262 . 17 1 1 A 23 23 SER C C 46 174.900 174.555 0.345 1 1 263 . 17 1 1 A 23 23 SER CA C 46 58.500 58.531 -0.031 1 1 264 . 17 1 1 A 23 23 SER CB C 46 63.900 64.091 -0.191 1 1 265 . 17 1 1 A 23 23 SER N N 46 119.100 118.296 0.804 1 1 266 . 17 1 1 A 24 24 GLY H H 47 8.370 8.823 -0.453 1 1 267 . 17 1 1 A 24 24 GLY HA2 H 47 3.950 4.080 -0.130 1 1 268 . 17 1 1 A 24 24 GLY HA3 H 47 3.950 4.085 -0.135 1 1 269 . 17 1 1 A 24 24 GLY C C 47 174.200 175.133 -0.933 1 1 270 . 17 1 1 A 24 24 GLY CA C 47 45.400 44.821 0.579 1 1 271 . 17 1 1 A 24 24 GLY N N 47 110.500 110.927 -0.427 1 1 272 . 17 1 1 A 25 25 VAL H H 48 7.980 8.546 -0.566 1 1 273 . 17 1 1 A 25 25 VAL HA H 48 4.040 4.086 -0.046 1 1 281 . 17 1 1 A 25 25 VAL C C 48 176.100 175.433 0.667 1 1 282 . 17 1 1 A 25 25 VAL CA C 48 62.200 62.504 -0.304 1 1 283 . 17 1 1 A 25 25 VAL CB C 48 32.500 32.280 0.220 1 1 286 . 17 1 1 A 25 25 VAL N N 48 118.100 119.860 -1.760 1 1 287 . 17 1 1 A 26 26 GLU H H 49 8.580 8.331 0.249 1 1 288 . 17 1 1 A 26 26 GLU HA H 49 4.160 4.007 0.153 1 1 293 . 17 1 1 A 26 26 GLU C C 49 176.900 175.658 1.242 1 1 294 . 17 1 1 A 26 26 GLU CA C 49 57.400 57.238 0.162 1 1 295 . 17 1 1 A 26 26 GLU CB C 49 29.800 29.027 0.773 1 1 297 . 17 1 1 A 26 26 GLU N N 49 123.900 121.323 2.577 1 1 298 . 17 1 1 A 27 27 GLY H H 50 8.330 8.360 -0.030 1 1 299 . 17 1 1 A 27 27 GLY HA2 H 50 3.890 3.975 -0.085 1 1 300 . 17 1 1 A 27 27 GLY HA3 H 50 3.830 3.979 -0.149 1 1 301 . 17 1 1 A 27 27 GLY C C 50 173.800 174.476 -0.676 1 1 302 . 17 1 1 A 27 27 GLY CA C 50 45.200 45.090 0.110 1 1 303 . 17 1 1 A 27 27 GLY N N 50 109.500 114.911 -5.411 1 1 304 . 17 1 1 A 28 28 LEU H H 51 7.770 8.317 -0.547 1 1 305 . 17 1 1 A 28 28 LEU HA H 51 4.470 4.048 0.422 1 1 315 . 17 1 1 A 28 28 LEU CA C 51 52.800 55.651 -2.851 1 1 316 . 17 1 1 A 28 28 LEU CB C 51 42.200 40.655 1.545 1 1 320 . 17 1 1 A 28 28 LEU N N 51 123.000 123.108 -0.108 1 1 321 . 17 1 1 A 29 29 PRO HA H 52 4.660 4.497 0.163 1 1 328 . 17 1 1 A 29 29 PRO CA C 52 61.600 62.357 -0.757 1 1 329 . 17 1 1 A 29 29 PRO CB C 52 30.800 32.079 -1.279 1 1 332 . 17 1 1 A 30 30 PRO HA H 53 4.340 4.269 0.071 1 1 339 . 17 1 1 A 30 30 PRO C C 53 177.500 177.325 0.175 1 1 340 . 17 1 1 A 30 30 PRO CA C 53 63.500 63.872 -0.372 1 1 341 . 17 1 1 A 30 30 PRO CB C 53 32.000 31.524 0.476 1 1 344 . 17 1 1 A 31 31 GLY H H 54 8.690 8.906 -0.216 1 1 345 . 17 1 1 A 31 31 GLY HA2 H 54 4.060 3.900 0.160 1 1 346 . 17 1 1 A 31 31 GLY HA3 H 54 3.660 3.916 -0.256 1 1 347 . 17 1 1 A 31 31 GLY C C 54 172.900 174.085 -1.185 1 1 348 . 17 1 1 A 31 31 GLY CA C 54 45.400 45.278 0.122 1 1 349 . 17 1 1 A 31 31 GLY N N 54 110.100 112.562 -2.462 1 1 350 . 17 1 1 A 32 32 LEU H H 55 7.510 7.887 -0.377 1 1 351 . 17 1 1 A 32 32 LEU HA H 55 4.960 5.079 -0.119 1 1 361 . 17 1 1 A 32 32 LEU C C 55 175.400 176.476 -1.076 1 1 362 . 17 1 1 A 32 32 LEU CA C 55 54.100 53.765 0.335 1 1 363 . 17 1 1 A 32 32 LEU CB C 55 44.400 43.692 0.708 1 1 367 . 17 1 1 A 32 32 LEU N N 55 119.300 122.249 -2.949 1 1 368 . 17 1 1 A 33 33 ALA H H 56 7.840 8.796 -0.956 1 1 369 . 17 1 1 A 33 33 ALA HA H 56 4.500 4.823 -0.323 1 1 373 . 17 1 1 A 33 33 ALA C C 56 178.200 175.187 3.013 1 1 374 . 17 1 1 A 33 33 ALA CA C 56 51.100 51.060 0.040 1 1 375 . 17 1 1 A 33 33 ALA CB C 56 23.900 24.095 -0.195 1 1 376 . 17 1 1 A 33 33 ALA N N 56 121.800 123.187 -1.387 1 1 377 . 17 1 1 A 34 34 LEU H H 57 8.640 8.098 0.542 1 1 378 . 17 1 1 A 34 34 LEU HA H 57 4.930 5.097 -0.167 1 1 388 . 17 1 1 A 34 34 LEU C C 57 174.400 175.771 -1.371 1 1 389 . 17 1 1 A 34 34 LEU CA C 57 53.400 53.631 -0.231 1 1 390 . 17 1 1 A 34 34 LEU CB C 57 47.300 45.553 1.747 1 1 394 . 17 1 1 A 34 34 LEU N N 57 119.200 118.984 0.216 1 1 395 . 17 1 1 A 35 35 LEU H H 58 8.640 8.331 0.309 1 1 396 . 17 1 1 A 35 35 LEU HA H 58 5.440 5.335 0.105 1 1 406 . 17 1 1 A 35 35 LEU C C 58 176.200 175.890 0.310 1 1 407 . 17 1 1 A 35 35 LEU CA C 58 52.600 53.342 -0.742 1 1 408 . 17 1 1 A 35 35 LEU CB C 58 46.000 44.515 1.485 1 1 412 . 17 1 1 A 35 35 LEU N N 58 119.400 122.188 -2.788 1 1 413 . 17 1 1 A 36 36 VAL H H 59 8.960 8.988 -0.028 1 1 414 . 17 1 1 A 36 36 VAL HA H 59 4.860 4.972 -0.112 1 1 422 . 17 1 1 A 36 36 VAL C C 59 176.400 175.367 1.033 1 1 423 . 17 1 1 A 36 36 VAL CA C 59 59.900 60.160 -0.260 1 1 424 . 17 1 1 A 36 36 VAL CB C 59 34.600 34.634 -0.034 1 1 427 . 17 1 1 A 36 36 VAL N N 59 120.700 123.141 -2.441 1 1 428 . 17 1 1 A 37 37 VAL H H 60 8.830 8.687 0.143 1 1 429 . 17 1 1 A 37 37 VAL HA H 60 4.170 4.269 -0.099 1 1 437 . 17 1 1 A 37 37 VAL C C 60 176.000 175.385 0.615 1 1 438 . 17 1 1 A 37 37 VAL CA C 60 63.900 63.508 0.392 1 1 439 . 17 1 1 A 37 37 VAL CB C 60 31.400 31.250 0.150 1 1 442 . 17 1 1 A 37 37 VAL N N 60 125.700 126.853 -1.153 1 1 443 . 17 1 1 A 38 38 LYS H H 61 9.400 8.719 0.681 1 1 444 . 17 1 1 A 38 38 LYS HA H 61 4.450 4.172 0.278 1 1 453 . 17 1 1 A 38 38 LYS C C 61 176.000 176.388 -0.388 1 1 454 . 17 1 1 A 38 38 LYS CA C 61 56.900 58.367 -1.467 1 1 455 . 17 1 1 A 38 38 LYS CB C 61 34.200 33.025 1.175 1 1 459 . 17 1 1 A 38 38 LYS N N 61 131.900 128.020 3.880 1 1 460 . 17 1 1 A 39 39 ARG H H 62 7.990 7.789 0.201 1 1 461 . 17 1 1 A 39 39 ARG HA H 62 4.700 4.716 -0.016 1 1 469 . 17 1 1 A 39 39 ARG C C 62 173.600 174.672 -1.072 1 1 470 . 17 1 1 A 39 39 ARG CA C 62 55.100 55.474 -0.374 1 1 471 . 17 1 1 A 39 39 ARG CB C 62 34.100 33.699 0.401 1 1 474 . 17 1 1 A 39 39 ARG N N 62 117.300 116.847 0.453 1 1 476 . 17 1 1 A 40 40 GLY H H 63 8.480 8.317 0.163 1 1 477 . 17 1 1 A 40 40 GLY HA2 H 63 4.290 3.969 0.321 1 1 478 . 17 1 1 A 40 40 GLY HA3 H 63 3.580 4.003 -0.423 1 1 479 . 17 1 1 A 40 40 GLY CA C 63 43.800 44.438 -0.638 1 1 480 . 17 1 1 A 40 40 GLY N N 63 110.800 111.198 -0.398 1 1 481 . 17 1 1 A 41 41 PRO HA H 64 4.300 4.291 0.009 1 1 488 . 17 1 1 A 41 41 PRO C C 64 175.900 178.539 -2.639 1 1 489 . 17 1 1 A 41 41 PRO CA C 64 64.400 65.210 -0.810 1 1 490 . 17 1 1 A 41 41 PRO CB C 64 31.500 31.930 -0.430 1 1 493 . 17 1 1 A 42 42 ASN H H 65 8.310 8.037 0.273 1 1 494 . 17 1 1 A 42 42 ASN HA H 65 4.770 4.639 0.131 1 1 499 . 17 1 1 A 42 42 ASN C C 65 177.500 175.747 1.753 1 1 500 . 17 1 1 A 42 42 ASN CA C 65 52.100 55.910 -3.810 1 1 501 . 17 1 1 A 42 42 ASN CB C 65 36.700 38.583 -1.883 1 1 503 . 17 1 1 A 42 42 ASN N N 65 114.500 114.820 -0.320 1 1 505 . 17 1 1 A 43 43 ALA H H 66 7.470 8.173 -0.703 1 1 506 . 17 1 1 A 43 43 ALA HA H 66 3.690 4.127 -0.437 1 1 510 . 17 1 1 A 43 43 ALA C C 66 177.800 177.116 0.684 1 1 511 . 17 1 1 A 43 43 ALA CA C 66 54.200 53.236 0.964 1 1 512 . 17 1 1 A 43 43 ALA CB C 66 17.700 18.280 -0.580 1 1 513 . 17 1 1 A 43 43 ALA N N 66 122.100 120.371 1.729 1 1 514 . 17 1 1 A 44 44 GLY H H 67 9.120 7.903 1.217 1 1 515 . 17 1 1 A 44 44 GLY HA2 H 67 4.440 3.984 0.456 1 1 516 . 17 1 1 A 44 44 GLY HA3 H 67 3.490 3.985 -0.495 1 1 517 . 17 1 1 A 44 44 GLY C C 67 174.900 174.376 0.524 1 1 518 . 17 1 1 A 44 44 GLY CA C 67 44.600 44.994 -0.394 1 1 519 . 17 1 1 A 44 44 GLY N N 67 111.800 111.629 0.171 1 1 520 . 17 1 1 A 45 45 SER H H 68 8.090 8.082 0.008 1 1 521 . 17 1 1 A 45 45 SER HA H 68 4.280 4.338 -0.058 1 1 524 . 17 1 1 A 45 45 SER C C 68 171.500 173.791 -2.291 1 1 525 . 17 1 1 A 45 45 SER CA C 68 60.500 58.349 2.151 1 1 526 . 17 1 1 A 45 45 SER CB C 68 63.800 64.052 -0.252 1 1 527 . 17 1 1 A 45 45 SER N N 68 117.400 117.157 0.243 1 1 528 . 17 1 1 A 46 46 ARG H H 69 8.120 8.698 -0.578 1 1 529 . 17 1 1 A 46 46 ARG HA H 69 5.140 5.149 -0.009 1 1 537 . 17 1 1 A 46 46 ARG C C 69 174.600 173.844 0.756 1 1 538 . 17 1 1 A 46 46 ARG CA C 69 54.200 53.817 0.383 1 1 539 . 17 1 1 A 46 46 ARG CB C 69 33.900 33.854 0.046 1 1 542 . 17 1 1 A 46 46 ARG N N 69 119.800 122.222 -2.422 1 1 544 . 17 1 1 A 47 47 PHE H H 70 9.180 8.452 0.728 1 1 545 . 17 1 1 A 47 47 PHE HA H 70 4.720 4.977 -0.257 1 1 553 . 17 1 1 A 47 47 PHE C C 70 173.900 174.155 -0.255 1 1 554 . 17 1 1 A 47 47 PHE CA C 70 56.400 56.732 -0.332 1 1 555 . 17 1 1 A 47 47 PHE CB C 70 41.500 42.659 -1.159 1 1 561 . 17 1 1 A 47 47 PHE N N 70 120.800 118.721 2.079 1 1 562 . 17 1 1 A 48 48 LEU H H 71 8.720 8.715 0.005 1 1 563 . 17 1 1 A 48 48 LEU HA H 71 4.450 4.939 -0.489 1 1 573 . 17 1 1 A 48 48 LEU C C 71 176.300 174.997 1.303 1 1 574 . 17 1 1 A 48 48 LEU CA C 71 54.900 53.872 1.028 1 1 575 . 17 1 1 A 48 48 LEU CB C 71 43.200 44.432 -1.232 1 1 579 . 17 1 1 A 48 48 LEU N N 71 125.300 124.920 0.380 1 1 580 . 17 1 1 A 49 49 LEU H H 72 8.730 8.756 -0.026 1 1 581 . 17 1 1 A 49 49 LEU HA H 72 4.770 4.483 0.287 1 1 591 . 17 1 1 A 49 49 LEU C C 72 174.800 176.818 -2.018 1 1 592 . 17 1 1 A 49 49 LEU CA C 72 53.200 54.129 -0.929 1 1 593 . 17 1 1 A 49 49 LEU CB C 72 40.900 39.783 1.117 1 1 597 . 17 1 1 A 49 49 LEU N N 72 126.900 127.907 -1.007 1 1 598 . 17 1 1 A 50 50 ASP H H 73 8.350 8.204 0.146 1 1 599 . 17 1 1 A 50 50 ASP HA H 73 4.790 4.786 0.004 1 1 602 . 17 1 1 A 50 50 ASP C C 73 175.600 175.222 0.378 1 1 603 . 17 1 1 A 50 50 ASP CA C 73 53.000 53.559 -0.559 1 1 604 . 17 1 1 A 50 50 ASP CB C 73 41.400 40.099 1.301 1 1 605 . 17 1 1 A 50 50 ASP N N 73 120.400 121.468 -1.068 1 1 606 . 17 1 1 A 51 51 GLN H H 74 7.670 7.667 0.003 1 1 607 . 17 1 1 A 51 51 GLN HA H 74 4.660 4.667 -0.007 1 1 614 . 17 1 1 A 51 51 GLN C C 74 175.400 176.400 -1.000 1 1 615 . 17 1 1 A 51 51 GLN CA C 74 53.700 54.272 -0.572 1 1 616 . 17 1 1 A 51 51 GLN CB C 74 31.300 31.790 -0.490 1 1 619 . 17 1 1 A 51 51 GLN N N 74 116.200 120.284 -4.084 1 1 621 . 17 1 1 A 52 52 ALA H H 75 8.720 8.789 -0.069 1 1 622 . 17 1 1 A 52 52 ALA HA H 75 4.170 4.235 -0.065 1 1 626 . 17 1 1 A 52 52 ALA C C 75 178.300 177.823 0.477 1 1 627 . 17 1 1 A 52 52 ALA CA C 75 55.700 54.932 0.768 1 1 628 . 17 1 1 A 52 52 ALA CB C 75 18.500 19.133 -0.633 1 1 629 . 17 1 1 A 52 52 ALA N N 75 123.200 127.372 -4.172 1 1 630 . 17 1 1 A 53 53 ILE H H 76 8.030 8.078 -0.048 1 1 631 . 17 1 1 A 53 53 ILE HA H 76 4.650 4.715 -0.065 1 1 641 . 17 1 1 A 53 53 ILE C C 76 175.100 174.893 0.207 1 1 642 . 17 1 1 A 53 53 ILE CA C 76 61.100 60.676 0.424 1 1 643 . 17 1 1 A 53 53 ILE CB C 76 40.500 39.062 1.438 1 1 647 . 17 1 1 A 53 53 ILE N N 76 115.400 117.550 -2.150 1 1 648 . 17 1 1 A 54 54 THR H H 77 8.840 8.968 -0.128 1 1 649 . 17 1 1 A 54 54 THR HA H 77 4.940 5.046 -0.106 1 1 654 . 17 1 1 A 54 54 THR C C 77 174.600 173.423 1.177 1 1 655 . 17 1 1 A 54 54 THR CA C 77 61.400 61.841 -0.441 1 1 656 . 17 1 1 A 54 54 THR CB C 77 70.300 71.073 -0.773 1 1 658 . 17 1 1 A 54 54 THR N N 77 125.300 124.908 0.392 1 1 659 . 17 1 1 A 55 55 SER H H 78 10.690 8.903 1.787 1 1 660 . 17 1 1 A 55 55 SER HA H 78 4.720 4.758 -0.038 1 1 663 . 17 1 1 A 55 55 SER C C 78 172.600 174.071 -1.471 1 1 664 . 17 1 1 A 55 55 SER CA C 78 57.800 58.200 -0.400 1 1 665 . 17 1 1 A 55 55 SER CB C 78 65.200 64.055 1.145 1 1 666 . 17 1 1 A 55 55 SER N N 78 126.300 123.401 2.899 1 1 667 . 17 1 1 A 56 56 ALA H H 79 8.840 8.196 0.644 1 1 668 . 17 1 1 A 56 56 ALA HA H 79 5.720 4.691 1.029 1 1 672 . 17 1 1 A 56 56 ALA C C 79 175.800 177.730 -1.930 1 1 673 . 17 1 1 A 56 56 ALA CA C 79 49.800 51.079 -1.279 1 1 674 . 17 1 1 A 56 56 ALA CB C 79 21.900 21.120 0.780 1 1 675 . 17 1 1 A 56 56 ALA N N 79 123.200 126.113 -2.913 1 1 676 . 17 1 1 A 57 57 GLY H H 80 8.410 8.334 0.076 1 1 677 . 17 1 1 A 57 57 GLY HA2 H 80 4.400 3.793 0.607 1 1 678 . 17 1 1 A 57 57 GLY HA3 H 80 3.970 3.902 0.068 1 1 679 . 17 1 1 A 57 57 GLY C C 80 174.800 173.244 1.556 1 1 680 . 17 1 1 A 57 57 GLY CA C 80 46.300 46.224 0.076 1 1 681 . 17 1 1 A 57 57 GLY N N 80 108.700 107.271 1.429 1 1 682 . 17 1 1 A 58 58 ARG H H 81 8.330 8.210 0.120 1 1 683 . 17 1 1 A 58 58 ARG HA H 81 4.440 4.921 -0.481 1 1 690 . 17 1 1 A 58 58 ARG C C 81 176.400 175.293 1.107 1 1 691 . 17 1 1 A 58 58 ARG CA C 81 54.700 55.324 -0.624 1 1 692 . 17 1 1 A 58 58 ARG CB C 81 32.300 31.843 0.457 1 1 695 . 17 1 1 A 58 58 ARG N N 81 120.400 122.650 -2.250 1 1 696 . 17 1 1 A 59 59 HIS H H 82 9.040 8.527 0.513 1 1 697 . 17 1 1 A 59 59 HIS HA H 82 4.280 4.985 -0.705 1 1 702 . 17 1 1 A 59 59 HIS CA C 82 56.800 54.222 2.578 1 1 703 . 17 1 1 A 59 59 HIS CB C 82 30.900 33.335 -2.435 1 1 705 . 17 1 1 A 59 59 HIS N N 82 124.300 120.379 3.921 1 1 708 . 17 1 1 A 60 60 PRO HA H 83 3.640 4.362 -0.722 1 1 715 . 17 1 1 A 60 60 PRO C C 83 177.000 177.345 -0.345 1 1 716 . 17 1 1 A 60 60 PRO CA C 83 64.800 65.209 -0.409 1 1 717 . 17 1 1 A 60 60 PRO CB C 83 31.700 32.086 -0.386 1 1 720 . 17 1 1 A 61 61 ASP H H 84 11.140 8.446 2.694 1 1 721 . 17 1 1 A 61 61 ASP HA H 84 4.700 4.781 -0.081 1 1 724 . 17 1 1 A 61 61 ASP C C 84 177.400 175.176 2.224 1 1 725 . 17 1 1 A 61 61 ASP CA C 84 53.900 53.378 0.522 1 1 726 . 17 1 1 A 61 61 ASP CB C 84 40.500 40.743 -0.243 1 1 727 . 17 1 1 A 61 61 ASP N N 84 121.600 115.761 5.839 1 1 728 . 17 1 1 A 62 62 SER H H 85 8.190 8.144 0.046 1 1 729 . 17 1 1 A 62 62 SER HA H 85 4.030 4.786 -0.756 1 1 733 . 17 1 1 A 62 62 SER C C 85 173.400 174.220 -0.820 1 1 734 . 17 1 1 A 62 62 SER CA C 85 60.400 57.543 2.857 1 1 735 . 17 1 1 A 62 62 SER CB C 85 65.200 66.230 -1.030 1 1 736 . 17 1 1 A 62 62 SER N N 85 118.100 118.008 0.092 1 1 737 . 17 1 1 A 63 63 ASP H H 86 8.270 8.986 -0.716 1 1 738 . 17 1 1 A 63 63 ASP HA H 86 4.390 4.483 -0.093 1 1 741 . 17 1 1 A 63 63 ASP C C 86 177.200 176.166 1.034 1 1 742 . 17 1 1 A 63 63 ASP CA C 86 58.300 56.986 1.314 1 1 743 . 17 1 1 A 63 63 ASP CB C 86 42.100 40.623 1.477 1 1 744 . 17 1 1 A 63 63 ASP N N 86 125.600 122.827 2.773 1 1 745 . 17 1 1 A 64 64 ILE H H 87 8.470 7.774 0.696 1 1 746 . 17 1 1 A 64 64 ILE HA H 87 3.560 3.769 -0.209 1 1 756 . 17 1 1 A 64 64 ILE C C 87 172.900 175.026 -2.126 1 1 757 . 17 1 1 A 64 64 ILE CA C 87 60.500 60.951 -0.451 1 1 758 . 17 1 1 A 64 64 ILE CB C 87 37.400 38.398 -0.998 1 1 762 . 17 1 1 A 64 64 ILE N N 87 119.500 118.659 0.841 1 1 763 . 17 1 1 A 65 65 PHE H H 88 8.100 8.743 -0.643 1 1 764 . 17 1 1 A 65 65 PHE HA H 88 5.010 5.259 -0.249 1 1 772 . 17 1 1 A 65 65 PHE C C 88 174.000 173.614 0.386 1 1 773 . 17 1 1 A 65 65 PHE CA C 88 55.600 56.105 -0.505 1 1 774 . 17 1 1 A 65 65 PHE CB C 88 38.800 40.334 -1.534 1 1 779 . 17 1 1 A 65 65 PHE N N 88 127.100 128.181 -1.081 1 1 780 . 17 1 1 A 66 66 LEU H H 89 7.710 8.246 -0.536 1 1 781 . 17 1 1 A 66 66 LEU HA H 89 3.620 4.513 -0.893 1 1 791 . 17 1 1 A 66 66 LEU C C 89 173.500 174.326 -0.826 1 1 792 . 17 1 1 A 66 66 LEU CA C 89 52.100 53.512 -1.412 1 1 793 . 17 1 1 A 66 66 LEU CB C 89 41.300 41.208 0.092 1 1 797 . 17 1 1 A 66 66 LEU N N 89 131.900 129.074 2.826 1 1 798 . 17 1 1 A 67 67 ASP H H 90 7.980 8.257 -0.277 1 1 799 . 17 1 1 A 67 67 ASP HA H 90 4.260 4.587 -0.327 1 1 802 . 17 1 1 A 67 67 ASP C C 90 174.800 174.851 -0.051 1 1 803 . 17 1 1 A 67 67 ASP CA C 90 53.100 53.138 -0.038 1 1 804 . 17 1 1 A 67 67 ASP CB C 90 39.900 39.902 -0.002 1 1 805 . 17 1 1 A 67 67 ASP N N 90 120.000 124.689 -4.689 1 1 806 . 17 1 1 A 68 68 ASP H H 91 7.480 7.905 -0.425 1 1 807 . 17 1 1 A 68 68 ASP HA H 91 4.850 5.055 -0.205 1 1 810 . 17 1 1 A 68 68 ASP C C 91 175.600 174.979 0.621 1 1 811 . 17 1 1 A 68 68 ASP CA C 91 54.900 52.801 2.099 1 1 812 . 17 1 1 A 68 68 ASP CB C 91 48.500 43.776 4.724 1 1 813 . 17 1 1 A 68 68 ASP N N 91 121.400 121.924 -0.524 1 1 814 . 17 1 1 A 69 69 VAL H H 92 8.370 8.476 -0.106 1 1 815 . 17 1 1 A 69 69 VAL HA H 92 4.060 4.014 0.046 1 1 823 . 17 1 1 A 69 69 VAL C C 92 175.900 176.922 -1.022 1 1 824 . 17 1 1 A 69 69 VAL CA C 92 64.800 62.512 2.288 1 1 825 . 17 1 1 A 69 69 VAL CB C 92 31.700 32.642 -0.942 1 1 828 . 17 1 1 A 69 69 VAL N N 92 121.900 119.285 2.615 1 1 829 . 17 1 1 A 70 70 THR H H 93 8.360 8.793 -0.433 1 1 830 . 17 1 1 A 70 70 THR HA H 93 4.060 4.211 -0.151 1 1 836 . 17 1 1 A 70 70 THR C C 93 175.100 173.884 1.216 1 1 837 . 17 1 1 A 70 70 THR CA C 93 63.700 63.849 -0.149 1 1 838 . 17 1 1 A 70 70 THR CB C 93 70.300 66.867 3.433 1 1 840 . 17 1 1 A 70 70 THR N N 93 111.100 119.361 -8.261 1 1 841 . 17 1 1 A 71 71 VAL H H 94 8.240 7.868 0.372 1 1 842 . 17 1 1 A 71 71 VAL HA H 94 4.520 4.080 0.440 1 1 850 . 17 1 1 A 71 71 VAL C C 94 176.800 176.178 0.622 1 1 851 . 17 1 1 A 71 71 VAL CA C 94 61.200 62.460 -1.260 1 1 852 . 17 1 1 A 71 71 VAL CB C 94 33.500 33.392 0.108 1 1 855 . 17 1 1 A 71 71 VAL N N 94 125.500 120.155 5.345 1 1 856 . 17 1 1 A 72 72 SER H H 95 11.410 7.899 3.511 1 1 857 . 17 1 1 A 72 72 SER HA H 95 4.670 4.219 0.451 1 1 860 . 17 1 1 A 72 72 SER C C 95 174.500 173.625 0.875 1 1 861 . 17 1 1 A 72 72 SER CA C 95 60.600 60.720 -0.120 1 1 862 . 17 1 1 A 72 72 SER CB C 95 64.200 61.958 2.242 1 1 863 . 17 1 1 A 72 72 SER N N 95 126.800 116.329 10.471 1 1 864 . 17 1 1 A 73 73 ARG H H 96 9.260 8.833 0.427 1 1 865 . 17 1 1 A 73 73 ARG HA H 96 3.770 4.031 -0.261 1 1 873 . 17 1 1 A 73 73 ARG C C 96 176.600 176.209 0.391 1 1 874 . 17 1 1 A 73 73 ARG CA C 96 61.300 58.297 3.003 1 1 875 . 17 1 1 A 73 73 ARG CB C 96 29.800 30.922 -1.122 1 1 878 . 17 1 1 A 73 73 ARG N N 96 124.600 123.394 1.206 1 1 880 . 17 1 1 A 74 74 ARG H H 97 7.800 7.916 -0.116 1 1 881 . 17 1 1 A 74 74 ARG HA H 97 4.440 4.709 -0.269 1 1 889 . 17 1 1 A 74 74 ARG C C 97 173.100 175.770 -2.670 1 1 890 . 17 1 1 A 74 74 ARG CA C 97 54.800 54.851 -0.051 1 1 891 . 17 1 1 A 74 74 ARG CB C 97 29.300 31.030 -1.730 1 1 894 . 17 1 1 A 74 74 ARG N N 97 114.800 117.315 -2.515 1 1 896 . 17 1 1 A 75 75 HIS H H 98 7.840 8.907 -1.067 1 1 897 . 17 1 1 A 75 75 HIS HA H 98 4.430 4.542 -0.112 1 1 903 . 17 1 1 A 75 75 HIS C C 98 173.800 174.937 -1.137 1 1 904 . 17 1 1 A 75 75 HIS CA C 98 57.800 57.713 0.087 1 1 905 . 17 1 1 A 75 75 HIS CB C 98 35.000 31.513 3.487 1 1 908 . 17 1 1 A 75 75 HIS N N 98 124.400 124.985 -0.585 1 1 910 . 17 1 1 A 76 76 ALA H H 99 8.490 7.666 0.824 1 1 911 . 17 1 1 A 76 76 ALA HA H 99 5.580 4.491 1.089 1 1 915 . 17 1 1 A 76 76 ALA C C 99 176.500 174.864 1.636 1 1 916 . 17 1 1 A 76 76 ALA CA C 99 50.300 51.278 -0.978 1 1 917 . 17 1 1 A 76 76 ALA CB C 99 23.200 22.600 0.600 1 1 918 . 17 1 1 A 76 76 ALA N N 99 116.600 118.379 -1.779 1 1 919 . 17 1 1 A 77 77 GLU H H 100 9.030 8.361 0.669 1 1 920 . 17 1 1 A 77 77 GLU HA H 100 5.030 4.761 0.269 1 1 925 . 17 1 1 A 77 77 GLU C C 100 174.100 174.426 -0.326 1 1 926 . 17 1 1 A 77 77 GLU CA C 100 54.500 55.083 -0.583 1 1 927 . 17 1 1 A 77 77 GLU CB C 100 34.900 33.654 1.246 1 1 929 . 17 1 1 A 77 77 GLU N N 100 118.100 120.712 -2.612 1 1 930 . 17 1 1 A 78 78 PHE H H 101 9.400 8.593 0.807 1 1 931 . 17 1 1 A 78 78 PHE HA H 101 5.400 5.465 -0.065 1 1 939 . 17 1 1 A 78 78 PHE C C 101 176.500 174.599 1.901 1 1 940 . 17 1 1 A 78 78 PHE CA C 101 56.700 56.705 -0.005 1 1 941 . 17 1 1 A 78 78 PHE CB C 101 41.000 42.081 -1.081 1 1 946 . 17 1 1 A 78 78 PHE N N 101 119.600 123.258 -3.658 1 1 947 . 17 1 1 A 79 79 ARG H H 102 9.720 8.769 0.951 1 1 948 . 17 1 1 A 79 79 ARG HA H 102 5.490 5.126 0.364 1 1 956 . 17 1 1 A 79 79 ARG C C 102 174.300 174.041 0.259 1 1 957 . 17 1 1 A 79 79 ARG CA C 102 54.800 54.433 0.367 1 1 958 . 17 1 1 A 79 79 ARG CB C 102 33.100 34.086 -0.986 1 1 961 . 17 1 1 A 79 79 ARG N N 102 126.100 122.040 4.060 1 1 963 . 17 1 1 A 80 80 LEU H H 103 9.020 8.533 0.487 1 1 964 . 17 1 1 A 80 80 LEU HA H 103 4.400 4.642 -0.242 1 1 974 . 17 1 1 A 80 80 LEU C C 103 176.100 175.568 0.532 1 1 975 . 17 1 1 A 80 80 LEU CA C 103 54.100 54.069 0.031 1 1 976 . 17 1 1 A 80 80 LEU CB C 103 42.600 43.467 -0.867 1 1 980 . 17 1 1 A 80 80 LEU N N 103 128.000 127.774 0.226 1 1 981 . 17 1 1 A 81 81 GLU H H 104 8.860 8.734 0.126 1 1 982 . 17 1 1 A 81 81 GLU HA H 104 4.430 4.418 0.012 1 1 987 . 17 1 1 A 81 81 GLU C C 104 175.800 175.482 0.318 1 1 988 . 17 1 1 A 81 81 GLU CA C 104 55.500 57.058 -1.558 1 1 989 . 17 1 1 A 81 81 GLU CB C 104 32.600 30.242 2.358 1 1 991 . 17 1 1 A 81 81 GLU N N 104 128.600 128.221 0.379 1 1 992 . 17 1 1 A 82 82 ASN H H 105 9.410 8.516 0.894 1 1 993 . 17 1 1 A 82 82 ASN HA H 105 4.200 4.853 -0.653 1 1 998 . 17 1 1 A 82 82 ASN C C 105 174.300 174.984 -0.684 1 1 999 . 17 1 1 A 82 82 ASN CA C 105 54.700 51.751 2.949 1 1 1000 . 17 1 1 A 82 82 ASN CB C 105 37.200 36.901 0.299 1 1 1002 . 17 1 1 A 82 82 ASN N N 105 124.600 120.496 4.104 1 1 1004 . 17 1 1 A 83 83 ASN H H 106 8.640 8.041 0.599 1 1 1005 . 17 1 1 A 83 83 ASN HA H 106 4.010 4.196 -0.186 1 1 1010 . 17 1 1 A 83 83 ASN C C 106 173.100 173.695 -0.595 1 1 1011 . 17 1 1 A 83 83 ASN CA C 106 54.900 54.422 0.478 1 1 1012 . 17 1 1 A 83 83 ASN CB C 106 38.100 37.036 1.064 1 1 1014 . 17 1 1 A 83 83 ASN N N 106 108.900 119.373 -10.473 1 1 1016 . 17 1 1 A 84 84 GLU H H 107 7.660 7.330 0.330 1 1 1017 . 17 1 1 A 84 84 GLU HA H 107 4.660 4.758 -0.098 1 1 1022 . 17 1 1 A 84 84 GLU C C 107 174.300 174.558 -0.258 1 1 1023 . 17 1 1 A 84 84 GLU CA C 107 54.700 54.939 -0.239 1 1 1024 . 17 1 1 A 84 84 GLU CB C 107 32.900 32.797 0.103 1 1 1026 . 17 1 1 A 84 84 GLU N N 107 118.300 113.731 4.569 1 1 1027 . 17 1 1 A 85 85 PHE H H 108 9.690 8.836 0.854 1 1 1028 . 17 1 1 A 85 85 PHE HA H 108 5.000 4.785 0.215 1 1 1035 . 17 1 1 A 85 85 PHE C C 108 174.500 176.013 -1.513 1 1 1036 . 17 1 1 A 85 85 PHE CA C 108 58.600 58.197 0.403 1 1 1037 . 17 1 1 A 85 85 PHE CB C 108 41.800 40.087 1.713 1 1 1042 . 17 1 1 A 85 85 PHE N N 108 121.100 122.464 -1.364 1 1 1043 . 17 1 1 A 86 86 ASN H H 109 9.180 9.212 -0.032 1 1 1044 . 17 1 1 A 86 86 ASN HA H 109 5.580 5.475 0.105 1 1 1049 . 17 1 1 A 86 86 ASN C C 109 175.000 173.945 1.055 1 1 1050 . 17 1 1 A 86 86 ASN CA C 109 51.200 52.000 -0.800 1 1 1051 . 17 1 1 A 86 86 ASN CB C 109 42.100 42.284 -0.184 1 1 1053 . 17 1 1 A 86 86 ASN N N 109 119.400 119.539 -0.139 1 1 1055 . 17 1 1 A 87 87 VAL H H 110 9.060 8.749 0.311 1 1 1056 . 17 1 1 A 87 87 VAL HA H 110 4.940 4.964 -0.024 1 1 1064 . 17 1 1 A 87 87 VAL C C 110 171.700 173.717 -2.017 1 1 1065 . 17 1 1 A 87 87 VAL CA C 110 58.400 59.988 -1.588 1 1 1066 . 17 1 1 A 87 87 VAL CB C 110 33.800 34.646 -0.846 1 1 1069 . 17 1 1 A 87 87 VAL N N 110 121.300 120.174 1.126 1 1 1070 . 17 1 1 A 88 88 VAL H H 111 8.640 8.616 0.024 1 1 1071 . 17 1 1 A 88 88 VAL HA H 111 4.590 4.538 0.052 1 1 1079 . 17 1 1 A 88 88 VAL C C 111 175.700 174.146 1.554 1 1 1080 . 17 1 1 A 88 88 VAL CA C 111 60.100 60.240 -0.140 1 1 1081 . 17 1 1 A 88 88 VAL CB C 111 36.200 35.501 0.699 1 1 1084 . 17 1 1 A 88 88 VAL N N 111 125.500 128.437 -2.937 1 1 1085 . 17 1 1 A 89 89 ASP H H 112 8.480 8.705 -0.225 1 1 1086 . 17 1 1 A 89 89 ASP HA H 112 4.870 4.733 0.137 1 1 1089 . 17 1 1 A 89 89 ASP C C 112 177.200 175.919 1.281 1 1 1090 . 17 1 1 A 89 89 ASP CA C 112 54.700 53.099 1.601 1 1 1091 . 17 1 1 A 89 89 ASP CB C 112 43.600 40.030 3.570 1 1 1092 . 17 1 1 A 89 89 ASP N N 112 126.600 126.332 0.268 1 1 1093 . 17 1 1 A 90 90 VAL H H 113 7.980 7.913 0.067 1 1 1094 . 17 1 1 A 90 90 VAL HA H 113 4.540 3.581 0.959 1 1 1102 . 17 1 1 A 90 90 VAL C C 113 174.400 177.480 -3.080 1 1 1103 . 17 1 1 A 90 90 VAL CA C 113 60.300 66.317 -6.017 1 1 1104 . 17 1 1 A 90 90 VAL CB C 113 29.500 31.508 -2.008 1 1 1107 . 17 1 1 A 90 90 VAL N N 113 119.700 125.274 -5.574 1 1 1108 . 17 1 1 A 91 91 GLY H H 114 8.600 7.589 1.011 1 1 1109 . 17 1 1 A 91 91 GLY HA2 H 114 4.260 3.955 0.305 1 1 1110 . 17 1 1 A 91 91 GLY HA3 H 114 3.720 4.005 -0.285 1 1 1111 . 17 1 1 A 91 91 GLY C C 114 175.300 172.771 2.529 1 1 1112 . 17 1 1 A 91 91 GLY CA C 114 45.700 44.384 1.316 1 1 1113 . 17 1 1 A 91 91 GLY N N 114 111.300 109.165 2.135 1 1 1114 . 17 1 1 A 92 92 SER H H 115 9.190 8.180 1.010 1 1 1115 . 17 1 1 A 92 92 SER HA H 115 3.890 4.490 -0.600 1 1 1118 . 17 1 1 A 92 92 SER C C 115 174.500 175.892 -1.392 1 1 1119 . 17 1 1 A 92 92 SER CA C 115 58.600 58.460 0.140 1 1 1120 . 17 1 1 A 92 92 SER CB C 115 61.300 63.475 -2.175 1 1 1121 . 17 1 1 A 92 92 SER N N 115 121.000 116.570 4.430 1 1 1122 . 17 1 1 A 93 93 LEU H H 116 7.720 8.654 -0.934 1 1 1123 . 17 1 1 A 93 93 LEU HA H 116 4.250 4.220 0.030 1 1 1133 . 17 1 1 A 93 93 LEU C C 116 179.100 177.565 1.535 1 1 1134 . 17 1 1 A 93 93 LEU CA C 116 57.200 57.738 -0.538 1 1 1135 . 17 1 1 A 93 93 LEU CB C 116 42.100 41.654 0.446 1 1 1139 . 17 1 1 A 93 93 LEU N N 116 120.500 127.129 -6.629 1 1 1140 . 17 1 1 A 94 94 ASN H H 117 8.450 7.310 1.140 1 1 1141 . 17 1 1 A 94 94 ASN HA H 117 4.870 4.760 0.110 1 1 1146 . 17 1 1 A 94 94 ASN C C 117 175.800 175.608 0.192 1 1 1147 . 17 1 1 A 94 94 ASN CA C 117 54.000 53.879 0.121 1 1 1148 . 17 1 1 A 94 94 ASN CB C 117 40.100 38.736 1.364 1 1 1150 . 17 1 1 A 94 94 ASN N N 117 112.500 116.088 -3.588 1 1 1152 . 17 1 1 A 95 95 GLY H H 118 7.940 8.830 -0.890 1 1 1153 . 17 1 1 A 95 95 GLY HA2 H 118 4.190 4.144 0.046 1 1 1154 . 17 1 1 A 95 95 GLY HA3 H 118 3.610 4.172 -0.562 1 1 1155 . 17 1 1 A 95 95 GLY C C 118 174.000 174.975 -0.975 1 1 1156 . 17 1 1 A 95 95 GLY CA C 118 44.300 45.732 -1.432 1 1 1157 . 17 1 1 A 95 95 GLY N N 118 109.800 109.871 -0.071 1 1 1158 . 17 1 1 A 96 96 THR H H 119 8.940 7.895 1.045 1 1 1159 . 17 1 1 A 96 96 THR HA H 119 3.820 4.391 -0.571 1 1 1165 . 17 1 1 A 96 96 THR C C 119 172.300 173.987 -1.687 1 1 1166 . 17 1 1 A 96 96 THR CA C 119 64.100 63.445 0.655 1 1 1167 . 17 1 1 A 96 96 THR CB C 119 70.200 69.239 0.961 1 1 1169 . 17 1 1 A 96 96 THR N N 119 122.000 114.748 7.252 1 1 1170 . 17 1 1 A 97 97 TYR H H 120 8.220 8.324 -0.104 1 1 1171 . 17 1 1 A 97 97 TYR HA H 120 5.340 5.572 -0.232 1 1 1178 . 17 1 1 A 97 97 TYR C C 120 175.900 172.395 3.505 1 1 1179 . 17 1 1 A 97 97 TYR CA C 120 55.600 55.831 -0.231 1 1 1180 . 17 1 1 A 97 97 TYR CB C 120 41.400 41.756 -0.356 1 1 1185 . 17 1 1 A 97 97 TYR N N 120 122.800 123.551 -0.751 1 1 1186 . 17 1 1 A 98 98 VAL H H 121 9.040 8.505 0.535 1 1 1187 . 17 1 1 A 98 98 VAL HA H 121 5.010 4.754 0.256 1 1 1195 . 17 1 1 A 98 98 VAL C C 121 176.900 175.192 1.708 1 1 1196 . 17 1 1 A 98 98 VAL CA C 121 61.100 59.773 1.327 1 1 1197 . 17 1 1 A 98 98 VAL CB C 121 33.000 34.476 -1.476 1 1 1200 . 17 1 1 A 98 98 VAL N N 121 121.400 121.383 0.017 1 1 1201 . 17 1 1 A 99 99 ASN H H 122 10.100 9.594 0.506 1 1 1202 . 17 1 1 A 99 99 ASN HA H 122 4.440 4.503 -0.063 1 1 1207 . 17 1 1 A 99 99 ASN C C 122 174.500 174.572 -0.072 1 1 1208 . 17 1 1 A 99 99 ASN CA C 122 55.000 54.797 0.203 1 1 1209 . 17 1 1 A 99 99 ASN CB C 122 37.000 36.912 0.088 1 1 1211 . 17 1 1 A 99 99 ASN N N 122 129.400 127.988 1.412 1 1 1213 . 17 1 1 A 100 100 ARG H H 123 9.290 8.809 0.481 1 1 1214 . 17 1 1 A 100 100 ARG HA H 123 3.680 3.693 -0.013 1 1 1222 . 17 1 1 A 100 100 ARG C C 123 175.200 174.972 0.228 1 1 1223 . 17 1 1 A 100 100 ARG CA C 123 58.100 57.676 0.424 1 1 1224 . 17 1 1 A 100 100 ARG CB C 123 27.600 28.052 -0.452 1 1 1227 . 17 1 1 A 100 100 ARG N N 123 106.100 109.313 -3.213 1 1 1229 . 17 1 1 A 101 101 GLU H H 124 7.970 7.905 0.065 1 1 1230 . 17 1 1 A 101 101 GLU HA H 124 5.110 4.755 0.355 1 1 1235 . 17 1 1 A 101 101 GLU CA C 124 53.000 53.367 -0.367 1 1 1236 . 17 1 1 A 101 101 GLU CB C 124 30.900 30.421 0.479 1 1 1238 . 17 1 1 A 101 101 GLU N N 124 121.300 118.955 2.345 1 1 1239 . 17 1 1 A 102 102 PRO HA H 125 4.050 4.488 -0.438 1 1 1246 . 17 1 1 A 102 102 PRO C C 125 177.500 175.364 2.136 1 1 1247 . 17 1 1 A 102 102 PRO CA C 125 62.300 63.195 -0.895 1 1 1248 . 17 1 1 A 102 102 PRO CB C 125 31.300 32.325 -1.025 1 1 1251 . 17 1 1 A 103 103 VAL H H 126 8.330 8.469 -0.139 1 1 1252 . 17 1 1 A 103 103 VAL HA H 126 4.700 4.777 -0.077 1 1 1260 . 17 1 1 A 103 103 VAL C C 126 174.500 173.542 0.958 1 1 1261 . 17 1 1 A 103 103 VAL CA C 126 58.900 59.524 -0.624 1 1 1262 . 17 1 1 A 103 103 VAL CB C 126 35.300 35.067 0.233 1 1 1265 . 17 1 1 A 103 103 VAL N N 126 115.000 121.476 -6.476 1 1 1266 . 17 1 1 A 104 104 ASP H H 127 8.520 8.857 -0.337 1 1 1267 . 17 1 1 A 104 104 ASP HA H 127 4.780 4.935 -0.155 1 1 1270 . 17 1 1 A 104 104 ASP C C 127 176.200 175.279 0.921 1 1 1271 . 17 1 1 A 104 104 ASP CA C 127 55.800 52.936 2.864 1 1 1272 . 17 1 1 A 104 104 ASP CB C 127 41.100 41.062 0.038 1 1 1273 . 17 1 1 A 104 104 ASP N N 127 120.800 128.254 -7.454 1 1 1274 . 17 1 1 A 105 105 SER H H 128 7.650 8.152 -0.502 1 1 1275 . 17 1 1 A 105 105 SER HA H 128 5.440 4.493 0.947 1 1 1278 . 17 1 1 A 105 105 SER C C 128 173.400 173.558 -0.158 1 1 1279 . 17 1 1 A 105 105 SER CA C 128 56.600 58.906 -2.306 1 1 1280 . 17 1 1 A 105 105 SER CB C 128 65.000 60.791 4.209 1 1 1281 . 17 1 1 A 105 105 SER N N 128 111.500 116.677 -5.177 1 1 1282 . 17 1 1 A 106 106 ALA H H 129 8.790 7.819 0.971 1 1 1283 . 17 1 1 A 106 106 ALA HA H 129 4.610 5.099 -0.489 1 1 1287 . 17 1 1 A 106 106 ALA C C 129 175.300 175.822 -0.522 1 1 1288 . 17 1 1 A 106 106 ALA CA C 129 52.100 50.304 1.796 1 1 1289 . 17 1 1 A 106 106 ALA CB C 129 22.600 23.183 -0.583 1 1 1290 . 17 1 1 A 106 106 ALA N N 129 125.100 126.298 -1.198 1 1 1291 . 17 1 1 A 107 107 VAL H H 130 8.340 8.602 -0.262 1 1 1292 . 17 1 1 A 107 107 VAL HA H 130 4.160 4.395 -0.235 1 1 1300 . 17 1 1 A 107 107 VAL C C 130 176.300 175.989 0.311 1 1 1301 . 17 1 1 A 107 107 VAL CA C 130 62.600 62.426 0.174 1 1 1302 . 17 1 1 A 107 107 VAL CB C 130 32.000 32.138 -0.138 1 1 1305 . 17 1 1 A 107 107 VAL N N 130 122.800 119.758 3.042 1 1 1306 . 17 1 1 A 108 108 LEU H H 131 8.490 8.671 -0.181 1 1 1307 . 17 1 1 A 108 108 LEU HA H 131 4.370 4.278 0.092 1 1 1317 . 17 1 1 A 108 108 LEU C C 131 175.200 176.008 -0.808 1 1 1318 . 17 1 1 A 108 108 LEU CA C 131 54.200 54.568 -0.368 1 1 1319 . 17 1 1 A 108 108 LEU CB C 131 43.000 41.952 1.048 1 1 1323 . 17 1 1 A 108 108 LEU N N 131 128.900 128.300 0.600 1 1 1324 . 17 1 1 A 109 109 ALA H H 132 9.130 8.750 0.380 1 1 1325 . 17 1 1 A 109 109 ALA HA H 132 4.750 4.851 -0.101 1 1 1329 . 17 1 1 A 109 109 ALA C C 132 176.500 175.933 0.567 1 1 1330 . 17 1 1 A 109 109 ALA CA C 132 49.700 51.187 -1.487 1 1 1331 . 17 1 1 A 109 109 ALA CB C 132 22.400 23.005 -0.605 1 1 1332 . 17 1 1 A 109 109 ALA N N 132 126.000 121.914 4.086 1 1 1333 . 17 1 1 A 110 110 ASN H H 133 8.860 8.880 -0.020 1 1 1334 . 17 1 1 A 110 110 ASN HA H 133 4.430 4.603 -0.173 1 1 1339 . 17 1 1 A 110 110 ASN C C 133 176.400 176.532 -0.132 1 1 1340 . 17 1 1 A 110 110 ASN CA C 133 56.400 55.148 1.252 1 1 1341 . 17 1 1 A 110 110 ASN CB C 133 39.800 38.169 1.631 1 1 1343 . 17 1 1 A 110 110 ASN N N 133 117.600 120.594 -2.994 1 1 1345 . 17 1 1 A 111 111 GLY H H 134 10.100 8.671 1.429 1 1 1346 . 17 1 1 A 111 111 GLY HA2 H 134 4.430 3.947 0.483 1 1 1347 . 17 1 1 A 111 111 GLY HA3 H 134 3.410 3.954 -0.544 1 1 1348 . 17 1 1 A 111 111 GLY C C 134 174.800 174.143 0.657 1 1 1349 . 17 1 1 A 111 111 GLY CA C 134 45.100 45.669 -0.569 1 1 1350 . 17 1 1 A 111 111 GLY N N 134 117.200 114.078 3.122 1 1 1351 . 17 1 1 A 112 112 ASP H H 135 8.640 7.968 0.672 1 1 1352 . 17 1 1 A 112 112 ASP HA H 135 4.430 4.939 -0.509 1 1 1355 . 17 1 1 A 112 112 ASP C C 135 174.700 175.552 -0.852 1 1 1356 . 17 1 1 A 112 112 ASP CA C 135 56.200 53.750 2.450 1 1 1357 . 17 1 1 A 112 112 ASP CB C 135 42.100 42.258 -0.158 1 1 1358 . 17 1 1 A 112 112 ASP N N 135 122.900 120.915 1.985 1 1 1359 . 17 1 1 A 113 113 GLU H H 136 8.360 8.653 -0.293 1 1 1360 . 17 1 1 A 113 113 GLU HA H 136 5.220 5.238 -0.018 1 1 1365 . 17 1 1 A 113 113 GLU C C 136 176.000 175.622 0.378 1 1 1366 . 17 1 1 A 113 113 GLU CA C 136 54.400 55.095 -0.695 1 1 1367 . 17 1 1 A 113 113 GLU CB C 136 32.900 32.319 0.581 1 1 1369 . 17 1 1 A 113 113 GLU N N 136 119.000 121.126 -2.126 1 1 1370 . 17 1 1 A 114 114 VAL H H 137 9.800 8.673 1.127 1 1 1371 . 17 1 1 A 114 114 VAL HA H 137 5.160 4.808 0.352 1 1 1379 . 17 1 1 A 114 114 VAL C C 137 174.400 174.292 0.108 1 1 1380 . 17 1 1 A 114 114 VAL CA C 137 60.400 60.924 -0.524 1 1 1381 . 17 1 1 A 114 114 VAL CB C 137 34.300 34.860 -0.560 1 1 1384 . 17 1 1 A 114 114 VAL N N 137 129.000 123.751 5.249 1 1 1385 . 17 1 1 A 115 115 GLN H H 138 9.610 8.959 0.651 1 1 1386 . 17 1 1 A 115 115 GLN HA H 138 5.430 5.117 0.313 1 1 1393 . 17 1 1 A 115 115 GLN C C 138 174.800 174.308 0.492 1 1 1394 . 17 1 1 A 115 115 GLN CA C 138 54.500 54.008 0.492 1 1 1395 . 17 1 1 A 115 115 GLN CB C 138 30.700 31.779 -1.079 1 1 1398 . 17 1 1 A 115 115 GLN N N 138 129.300 127.597 1.703 1 1 1399 . 17 1 1 A 116 116 ILE H H 139 8.400 8.517 -0.117 1 1 1400 . 17 1 1 A 116 116 ILE HA H 139 4.020 4.526 -0.506 1 1 1410 . 17 1 1 A 116 116 ILE C C 139 174.500 176.424 -1.924 1 1 1411 . 17 1 1 A 116 116 ILE CA C 139 60.600 59.974 0.626 1 1 1412 . 17 1 1 A 116 116 ILE CB C 139 40.900 40.314 0.586 1 1 1416 . 17 1 1 A 116 116 ILE N N 139 128.300 127.472 0.828 1 1 1417 . 17 1 1 A 117 117 GLY H H 140 9.650 8.844 0.806 1 1 1418 . 17 1 1 A 117 117 GLY HA2 H 140 3.820 3.702 0.118 1 1 1419 . 17 1 1 A 117 117 GLY HA3 H 140 3.630 3.790 -0.160 1 1 1420 . 17 1 1 A 117 117 GLY C C 140 175.400 174.765 0.635 1 1 1421 . 17 1 1 A 117 117 GLY CA C 140 46.500 47.245 -0.745 1 1 1422 . 17 1 1 A 117 117 GLY N N 140 116.800 115.277 1.523 1 1 1423 . 17 1 1 A 118 118 LYS H H 141 7.960 8.846 -0.886 1 1 1424 . 17 1 1 A 118 118 LYS HA H 141 4.070 4.543 -0.473 1 1 1433 . 17 1 1 A 118 118 LYS C C 141 175.600 176.476 -0.876 1 1 1434 . 17 1 1 A 118 118 LYS CA C 141 56.700 56.766 -0.066 1 1 1435 . 17 1 1 A 118 118 LYS CB C 141 32.600 35.105 -2.505 1 1 1439 . 17 1 1 A 118 118 LYS N N 141 122.400 126.532 -4.132 1 1 1440 . 17 1 1 A 119 119 PHE H H 142 8.260 7.710 0.550 1 1 1441 . 17 1 1 A 119 119 PHE HA H 142 4.540 4.609 -0.069 1 1 1449 . 17 1 1 A 119 119 PHE C C 142 174.700 176.495 -1.795 1 1 1450 . 17 1 1 A 119 119 PHE CA C 142 58.200 58.659 -0.459 1 1 1451 . 17 1 1 A 119 119 PHE CB C 142 39.900 40.110 -0.210 1 1 1456 . 17 1 1 A 119 119 PHE N N 142 119.500 118.365 1.135 1 1 1457 . 17 1 1 A 120 120 ARG H H 143 8.690 8.537 0.153 1 1 1458 . 17 1 1 A 120 120 ARG HA H 143 5.020 5.052 -0.032 1 1 1465 . 17 1 1 A 120 120 ARG C C 143 174.800 175.642 -0.842 1 1 1466 . 17 1 1 A 120 120 ARG CA C 143 55.100 55.078 0.022 1 1 1467 . 17 1 1 A 120 120 ARG CB C 143 32.800 32.882 -0.082 1 1 1470 . 17 1 1 A 120 120 ARG N N 143 121.500 122.113 -0.613 1 1 1471 . 17 1 1 A 121 121 LEU H H 144 9.760 8.626 1.134 1 1 1472 . 17 1 1 A 121 121 LEU HA H 144 5.420 5.238 0.182 1 1 1482 . 17 1 1 A 121 121 LEU C C 144 175.000 175.247 -0.247 1 1 1483 . 17 1 1 A 121 121 LEU CA C 144 53.900 53.721 0.179 1 1 1484 . 17 1 1 A 121 121 LEU CB C 144 44.900 46.352 -1.452 1 1 1488 . 17 1 1 A 121 121 LEU N N 144 126.400 124.109 2.291 1 1 1489 . 17 1 1 A 122 122 VAL H H 145 9.370 9.010 0.360 1 1 1490 . 17 1 1 A 122 122 VAL HA H 145 5.010 5.089 -0.079 1 1 1498 . 17 1 1 A 122 122 VAL C C 145 173.700 173.351 0.349 1 1 1499 . 17 1 1 A 122 122 VAL CA C 145 60.800 59.359 1.441 1 1 1500 . 17 1 1 A 122 122 VAL CB C 145 34.300 34.821 -0.521 1 1 1503 . 17 1 1 A 122 122 VAL N N 145 121.900 122.037 -0.137 1 1 1504 . 17 1 1 A 123 123 PHE H H 146 8.830 9.277 -0.447 1 1 1505 . 17 1 1 A 123 123 PHE HA H 146 4.980 4.938 0.042 1 1 1513 . 17 1 1 A 123 123 PHE C C 146 172.700 174.092 -1.392 1 1 1514 . 17 1 1 A 123 123 PHE CA C 146 57.100 56.273 0.827 1 1 1515 . 17 1 1 A 123 123 PHE CB C 146 41.100 39.915 1.185 1 1 1521 . 17 1 1 A 123 123 PHE N N 146 128.700 130.190 -1.490 1 1 1522 . 17 1 1 A 124 124 LEU H H 147 8.650 8.250 0.400 1 1 1523 . 17 1 1 A 124 124 LEU HA H 147 5.020 4.806 0.214 1 1 1533 . 17 1 1 A 124 124 LEU C C 147 175.300 176.120 -0.820 1 1 1534 . 17 1 1 A 124 124 LEU CA C 147 52.600 53.348 -0.748 1 1 1535 . 17 1 1 A 124 124 LEU CB C 147 45.600 45.600 0.000 1 1 1539 . 17 1 1 A 124 124 LEU N N 147 128.000 128.652 -0.652 1 1 1540 . 17 1 1 A 125 125 THR H H 148 8.300 8.310 -0.010 1 1 1541 . 17 1 1 A 125 125 THR HA H 148 4.330 4.523 -0.193 1 1 1546 . 17 1 1 A 125 125 THR C C 148 173.900 176.829 -2.929 1 1 1547 . 17 1 1 A 125 125 THR CA C 148 60.200 60.215 -0.015 1 1 1548 . 17 1 1 A 125 125 THR CB C 148 70.300 71.545 -1.245 1 1 1550 . 17 1 1 A 125 125 THR N N 148 110.600 114.280 -3.680 1 1 1551 . 17 1 1 A 126 126 GLY H H 149 8.310 8.768 -0.458 1 1 1552 . 17 1 1 A 126 126 GLY HA2 H 149 3.840 3.847 -0.007 1 1 1553 . 17 1 1 A 126 126 GLY HA3 H 149 3.840 3.849 -0.009 1 1 1554 . 17 1 1 A 126 126 GLY CA C 149 45.200 46.051 -0.851 1 1 1555 . 17 1 1 A 126 126 GLY N N 149 109.800 109.830 -0.030 1 1 1556 . 17 1 1 A 127 127 HIS H H 150 8.310 7.916 0.394 1 1 1557 . 17 1 1 A 127 127 HIS HA H 150 4.630 4.244 0.386 1 1 1562 . 17 1 1 A 127 127 HIS C C 150 174.800 174.286 0.514 1 1 1563 . 17 1 1 A 127 127 HIS CA C 150 55.900 56.635 -0.735 1 1 1564 . 17 1 1 A 127 127 HIS CB C 150 30.700 28.017 2.683 1 1 1567 . 17 1 1 A 127 127 HIS N N 150 119.300 117.867 1.433 1 1 1570 . 17 1 1 A 128 128 LYS H H 151 8.490 7.948 0.542 1 1 1571 . 17 1 1 A 128 128 LYS HA H 151 4.300 4.236 0.064 1 1 1580 . 17 1 1 A 128 128 LYS C C 151 176.200 176.007 0.193 1 1 1581 . 17 1 1 A 128 128 LYS CA C 151 56.100 55.950 0.150 1 1 1582 . 17 1 1 A 128 128 LYS CB C 151 33.200 33.219 -0.019 1 1 1586 . 17 1 1 A 128 128 LYS N N 151 123.800 121.540 2.260 1 1 1587 . 17 1 1 A 129 129 GLN H H 152 8.640 8.099 0.541 1 1 1588 . 17 1 1 A 129 129 GLN HA H 152 4.270 4.237 0.033 1 1 1595 . 17 1 1 A 129 129 GLN C C 152 176.500 176.302 0.198 1 1 1596 . 17 1 1 A 129 129 GLN CA C 152 56.400 56.447 -0.047 1 1 1597 . 17 1 1 A 129 129 GLN CB C 152 29.500 29.271 0.229 1 1 1600 . 17 1 1 A 129 129 GLN N N 152 122.900 121.834 1.066 1 1 1602 . 17 1 1 A 130 130 GLY H H 153 8.640 8.556 0.084 1 1 1603 . 17 1 1 A 130 130 GLY HA2 H 153 3.990 3.958 0.032 1 1 1604 . 17 1 1 A 130 130 GLY HA3 H 153 3.910 3.986 -0.076 1 1 1605 . 17 1 1 A 130 130 GLY C C 153 174.100 173.589 0.511 1 1 1606 . 17 1 1 A 130 130 GLY CA C 153 45.400 45.531 -0.131 1 1 1607 . 17 1 1 A 130 130 GLY N N 153 111.100 112.794 -1.694 1 1 1608 . 17 1 1 A 131 131 GLU H H 154 8.220 8.400 -0.180 1 1 1609 . 17 1 1 A 131 131 GLU HA H 154 4.260 4.338 -0.078 1 1 1614 . 17 1 1 A 131 131 GLU C C 154 176.100 175.985 0.115 1 1 1615 . 17 1 1 A 131 131 GLU CA C 154 56.600 55.404 1.196 1 1 1616 . 17 1 1 A 131 131 GLU CB C 154 30.600 30.568 0.032 1 1 1618 . 17 1 1 A 131 131 GLU N N 154 120.500 119.966 0.534 1 1 1619 . 17 1 1 A 132 132 ASP H H 155 8.530 8.580 -0.050 1 1 1620 . 17 1 1 A 132 132 ASP HA H 155 4.560 4.623 -0.063 1 1 1623 . 17 1 1 A 132 132 ASP C C 155 176.300 175.549 0.751 1 1 1624 . 17 1 1 A 132 132 ASP CA C 155 54.300 53.271 1.029 1 1 1625 . 17 1 1 A 132 132 ASP CB C 155 41.000 41.501 -0.501 1 1 1626 . 17 1 1 A 132 132 ASP N N 155 121.300 120.506 0.794 1 1 1627 . 17 1 1 A 133 133 LEU H H 156 8.230 8.461 -0.231 1 1 1628 . 17 1 1 A 133 133 LEU HA H 156 4.200 4.355 -0.155 1 1 1638 . 17 1 1 A 133 133 LEU C C 156 177.700 177.111 0.589 1 1 1639 . 17 1 1 A 133 133 LEU CA C 156 55.500 55.009 0.491 1 1 1640 . 17 1 1 A 133 133 LEU CB C 156 42.100 42.502 -0.402 1 1 1644 . 17 1 1 A 133 133 LEU N N 156 122.500 120.221 2.279 1 1 1645 . 17 1 1 A 134 134 GLU H H 157 8.270 8.977 -0.707 1 1 1646 . 17 1 1 A 134 134 GLU HA H 157 4.100 4.490 -0.390 1 1 1651 . 17 1 1 A 134 134 GLU C C 157 177.300 176.057 1.243 1 1 1652 . 17 1 1 A 134 134 GLU CA C 157 56.900 55.816 1.084 1 1 1653 . 17 1 1 A 134 134 GLU CB C 157 30.000 28.450 1.550 1 1 1655 . 17 1 1 A 134 134 GLU N N 157 119.800 123.844 -4.044 1 1 1656 . 17 1 1 A 135 135 HIS H H 158 8.150 8.568 -0.418 1 1 1657 . 17 1 1 A 135 135 HIS HA H 158 4.530 4.143 0.387 1 1 1662 . 17 1 1 A 135 135 HIS CA C 158 56.100 57.052 -0.952 1 1 1663 . 17 1 1 A 135 135 HIS CB C 158 30.000 28.598 1.402 1 1 1664 . 17 1 1 A 135 135 HIS N N 158 118.500 116.622 1.878 1 1 1665 . 17 1 1 A 139 139 HIS HA H 162 4.590 4.239 0.351 1 1 1668 . 17 1 1 A 139 139 HIS C C 162 173.900 174.361 -0.461 1 1 1669 . 17 1 1 A 139 139 HIS CA C 162 55.900 58.200 -2.300 1 1 1670 . 17 1 1 A 139 139 HIS CB C 162 30.100 29.523 0.577 1 1 15 . 18 1 1 A 2 2 PHE H H 25 8.640 8.817 -0.177 1 1 16 . 18 1 1 A 2 2 PHE HA H 25 4.630 4.462 0.168 1 1 24 . 18 1 1 A 2 2 PHE C C 25 175.000 175.338 -0.338 1 1 25 . 18 1 1 A 2 2 PHE CA C 25 58.000 58.996 -0.996 1 1 26 . 18 1 1 A 2 2 PHE CB C 25 39.700 39.560 0.140 1 1 31 . 18 1 1 A 3 3 ARG H H 26 8.210 8.081 0.129 1 1 32 . 18 1 1 A 3 3 ARG HA H 26 4.200 4.345 -0.145 1 1 40 . 18 1 1 A 3 3 ARG C C 26 175.100 175.897 -0.797 1 1 41 . 18 1 1 A 3 3 ARG CA C 26 55.600 54.866 0.734 1 1 42 . 18 1 1 A 3 3 ARG CB C 26 31.300 32.073 -0.773 1 1 45 . 18 1 1 A 3 3 ARG N N 26 125.000 125.043 -0.043 1 1 47 . 18 1 1 A 4 4 ALA H H 27 8.260 7.175 1.085 1 1 48 . 18 1 1 A 4 4 ALA HA H 27 4.090 3.723 0.367 1 1 52 . 18 1 1 A 4 4 ALA C C 27 177.300 175.969 1.331 1 1 53 . 18 1 1 A 4 4 ALA CA C 27 52.800 53.883 -1.083 1 1 54 . 18 1 1 A 4 4 ALA CB C 27 19.200 17.755 1.445 1 1 55 . 18 1 1 A 4 4 ALA N N 27 125.400 121.514 3.886 1 1 56 . 18 1 1 A 5 5 ASP H H 28 8.260 8.674 -0.414 1 1 57 . 18 1 1 A 5 5 ASP HA H 28 4.470 4.807 -0.337 1 1 60 . 18 1 1 A 5 5 ASP C C 28 176.200 176.071 0.129 1 1 61 . 18 1 1 A 5 5 ASP CA C 28 54.500 53.345 1.155 1 1 62 . 18 1 1 A 5 5 ASP CB C 28 40.700 40.801 -0.101 1 1 63 . 18 1 1 A 5 5 ASP N N 28 118.200 119.555 -1.355 1 1 64 . 18 1 1 A 6 6 PHE H H 29 7.930 7.910 0.020 1 1 65 . 18 1 1 A 6 6 PHE HA H 29 4.510 4.741 -0.231 1 1 73 . 18 1 1 A 6 6 PHE C C 29 175.700 176.247 -0.547 1 1 74 . 18 1 1 A 6 6 PHE CA C 29 58.000 57.325 0.675 1 1 75 . 18 1 1 A 6 6 PHE CB C 29 39.300 41.197 -1.897 1 1 81 . 18 1 1 A 6 6 PHE N N 29 119.400 120.502 -1.102 1 1 82 . 18 1 1 A 7 7 LEU H H 30 8.000 6.961 1.039 1 1 83 . 18 1 1 A 7 7 LEU HA H 30 4.210 4.342 -0.132 1 1 93 . 18 1 1 A 7 7 LEU C C 30 177.400 176.259 1.141 1 1 94 . 18 1 1 A 7 7 LEU CA C 30 55.400 55.995 -0.595 1 1 95 . 18 1 1 A 7 7 LEU CB C 30 42.200 42.455 -0.255 1 1 99 . 18 1 1 A 7 7 LEU N N 30 122.100 116.994 5.106 1 1 100 . 18 1 1 A 8 8 SER H H 31 8.130 7.692 0.438 1 1 101 . 18 1 1 A 8 8 SER HA H 31 4.330 4.463 -0.133 1 1 104 . 18 1 1 A 8 8 SER C C 31 174.900 172.645 2.255 1 1 105 . 18 1 1 A 8 8 SER CA C 31 58.800 57.092 1.708 1 1 106 . 18 1 1 A 8 8 SER CB C 31 63.800 63.387 0.413 1 1 107 . 18 1 1 A 8 8 SER N N 31 116.000 115.740 0.260 1 1 108 . 18 1 1 A 9 9 GLU H H 32 8.380 8.783 -0.403 1 1 109 . 18 1 1 A 9 9 GLU HA H 32 4.240 4.614 -0.374 1 1 114 . 18 1 1 A 9 9 GLU C C 32 176.600 175.753 0.847 1 1 115 . 18 1 1 A 9 9 GLU CA C 32 57.000 55.542 1.458 1 1 116 . 18 1 1 A 9 9 GLU CB C 32 30.000 29.673 0.327 1 1 118 . 18 1 1 A 9 9 GLU N N 32 122.200 128.555 -6.355 1 1 119 . 18 1 1 A 10 10 LEU H H 33 7.990 8.372 -0.382 1 1 120 . 18 1 1 A 10 10 LEU HA H 33 4.220 4.416 -0.196 1 1 130 . 18 1 1 A 10 10 LEU C C 33 177.100 176.837 0.263 1 1 131 . 18 1 1 A 10 10 LEU CA C 33 55.500 54.426 1.074 1 1 132 . 18 1 1 A 10 10 LEU CB C 33 42.200 42.260 -0.060 1 1 136 . 18 1 1 A 10 10 LEU N N 33 121.200 125.978 -4.778 1 1 137 . 18 1 1 A 11 11 ASP H H 34 8.090 8.535 -0.445 1 1 138 . 18 1 1 A 11 11 ASP HA H 34 4.550 4.533 0.017 1 1 141 . 18 1 1 A 11 11 ASP C C 34 175.400 175.928 -0.528 1 1 142 . 18 1 1 A 11 11 ASP CA C 34 54.200 54.935 -0.735 1 1 143 . 18 1 1 A 11 11 ASP CB C 34 41.300 40.757 0.543 1 1 144 . 18 1 1 A 11 11 ASP N N 34 120.000 120.208 -0.208 1 1 145 . 18 1 1 A 12 12 ALA H H 35 7.950 8.763 -0.813 1 1 146 . 18 1 1 A 12 12 ALA HA H 35 4.510 4.883 -0.373 1 1 150 . 18 1 1 A 12 12 ALA CA C 35 50.800 50.013 0.787 1 1 151 . 18 1 1 A 12 12 ALA CB C 35 18.300 19.223 -0.923 1 1 152 . 18 1 1 A 12 12 ALA N N 35 124.600 124.619 -0.019 1 1 153 . 18 1 1 A 13 13 PRO HA H 36 4.360 4.537 -0.177 1 1 160 . 18 1 1 A 13 13 PRO C C 36 176.900 176.908 -0.008 1 1 161 . 18 1 1 A 13 13 PRO CA C 36 63.200 62.419 0.781 1 1 162 . 18 1 1 A 13 13 PRO CB C 36 32.000 32.343 -0.343 1 1 165 . 18 1 1 A 14 14 ALA H H 37 8.390 8.259 0.131 1 1 166 . 18 1 1 A 14 14 ALA HA H 37 4.230 4.221 0.009 1 1 170 . 18 1 1 A 14 14 ALA C C 37 177.900 177.146 0.754 1 1 171 . 18 1 1 A 14 14 ALA CA C 37 52.600 53.331 -0.731 1 1 172 . 18 1 1 A 14 14 ALA CB C 37 19.300 19.208 0.092 1 1 173 . 18 1 1 A 14 14 ALA N N 37 123.900 124.312 -0.412 1 1 174 . 18 1 1 A 15 15 GLN H H 38 8.330 8.691 -0.361 1 1 175 . 18 1 1 A 15 15 GLN HA H 38 4.280 4.982 -0.702 1 1 182 . 18 1 1 A 15 15 GLN C C 38 175.800 175.350 0.450 1 1 183 . 18 1 1 A 15 15 GLN CA C 38 55.700 54.790 0.910 1 1 184 . 18 1 1 A 15 15 GLN CB C 38 29.600 30.741 -1.141 1 1 187 . 18 1 1 A 15 15 GLN N N 38 119.300 121.470 -2.170 1 1 189 . 18 1 1 A 16 16 ALA H H 39 8.410 8.252 0.158 1 1 190 . 18 1 1 A 16 16 ALA HA H 39 4.070 4.457 -0.387 1 1 194 . 18 1 1 A 16 16 ALA C C 39 178.200 177.630 0.570 1 1 195 . 18 1 1 A 16 16 ALA CA C 39 52.800 51.398 1.402 1 1 196 . 18 1 1 A 16 16 ALA CB C 39 19.300 20.208 -0.908 1 1 197 . 18 1 1 A 16 16 ALA N N 39 125.600 127.581 -1.981 1 1 198 . 18 1 1 A 17 17 GLY H H 40 8.510 8.011 0.499 1 1 199 . 18 1 1 A 17 17 GLY HA2 H 40 4.010 4.094 -0.084 1 1 200 . 18 1 1 A 17 17 GLY HA3 H 40 4.010 4.094 -0.084 1 1 201 . 18 1 1 A 17 17 GLY C C 40 174.600 173.333 1.267 1 1 202 . 18 1 1 A 17 17 GLY CA C 40 45.400 44.724 0.676 1 1 203 . 18 1 1 A 17 17 GLY N N 40 108.500 106.817 1.683 1 1 204 . 18 1 1 A 18 18 THR H H 41 8.020 8.481 -0.461 1 1 205 . 18 1 1 A 18 18 THR HA H 41 4.320 4.753 -0.433 1 1 210 . 18 1 1 A 18 18 THR C C 41 174.900 174.038 0.862 1 1 211 . 18 1 1 A 18 18 THR CA C 41 62.100 63.226 -1.126 1 1 212 . 18 1 1 A 18 18 THR CB C 41 69.900 69.216 0.684 1 1 214 . 18 1 1 A 18 18 THR N N 41 112.900 115.498 -2.598 1 1 215 . 18 1 1 A 19 19 GLU H H 42 8.630 8.869 -0.239 1 1 216 . 18 1 1 A 19 19 GLU HA H 42 4.300 4.466 -0.166 1 1 221 . 18 1 1 A 19 19 GLU C C 42 176.600 175.446 1.154 1 1 222 . 18 1 1 A 19 19 GLU CA C 42 56.900 57.654 -0.754 1 1 223 . 18 1 1 A 19 19 GLU CB C 42 30.000 30.537 -0.537 1 1 225 . 18 1 1 A 19 19 GLU N N 42 123.000 124.190 -1.190 1 1 226 . 18 1 1 A 20 20 SER H H 43 8.330 8.412 -0.082 1 1 227 . 18 1 1 A 20 20 SER HA H 43 4.400 4.346 0.054 1 1 230 . 18 1 1 A 20 20 SER C C 43 174.300 173.827 0.473 1 1 231 . 18 1 1 A 20 20 SER CA C 43 58.500 59.831 -1.331 1 1 232 . 18 1 1 A 20 20 SER CB C 43 63.900 62.455 1.445 1 1 233 . 18 1 1 A 20 20 SER N N 43 116.600 114.874 1.726 1 1 234 . 18 1 1 A 21 21 ALA H H 44 8.320 8.337 -0.017 1 1 235 . 18 1 1 A 21 21 ALA HA H 44 4.300 4.575 -0.275 1 1 239 . 18 1 1 A 21 21 ALA C C 44 177.700 177.037 0.663 1 1 240 . 18 1 1 A 21 21 ALA CA C 44 52.700 51.401 1.299 1 1 241 . 18 1 1 A 21 21 ALA CB C 44 19.300 18.961 0.339 1 1 242 . 18 1 1 A 21 21 ALA N N 44 126.000 126.277 -0.277 1 1 243 . 18 1 1 A 22 22 VAL H H 45 8.040 7.891 0.149 1 1 244 . 18 1 1 A 22 22 VAL HA H 45 4.100 4.267 -0.167 1 1 252 . 18 1 1 A 22 22 VAL C C 45 176.100 176.360 -0.260 1 1 253 . 18 1 1 A 22 22 VAL CA C 45 62.300 62.460 -0.160 1 1 254 . 18 1 1 A 22 22 VAL CB C 45 32.700 32.109 0.591 1 1 257 . 18 1 1 A 22 22 VAL N N 45 118.100 117.598 0.502 1 1 258 . 18 1 1 A 23 23 SER H H 46 8.370 7.662 0.708 1 1 259 . 18 1 1 A 23 23 SER HA H 46 4.410 4.307 0.103 1 1 262 . 18 1 1 A 23 23 SER C C 46 174.900 175.248 -0.348 1 1 263 . 18 1 1 A 23 23 SER CA C 46 58.500 60.075 -1.575 1 1 264 . 18 1 1 A 23 23 SER CB C 46 63.900 63.401 0.499 1 1 265 . 18 1 1 A 23 23 SER N N 46 119.100 120.570 -1.470 1 1 266 . 18 1 1 A 24 24 GLY H H 47 8.370 8.702 -0.332 1 1 267 . 18 1 1 A 24 24 GLY HA2 H 47 3.950 3.964 -0.014 1 1 268 . 18 1 1 A 24 24 GLY HA3 H 47 3.950 3.972 -0.022 1 1 269 . 18 1 1 A 24 24 GLY C C 47 174.200 174.506 -0.306 1 1 270 . 18 1 1 A 24 24 GLY CA C 47 45.400 45.017 0.383 1 1 271 . 18 1 1 A 24 24 GLY N N 47 110.500 111.967 -1.467 1 1 272 . 18 1 1 A 25 25 VAL H H 48 7.980 8.605 -0.625 1 1 273 . 18 1 1 A 25 25 VAL HA H 48 4.040 4.130 -0.090 1 1 281 . 18 1 1 A 25 25 VAL C C 48 176.100 176.114 -0.014 1 1 282 . 18 1 1 A 25 25 VAL CA C 48 62.200 63.057 -0.857 1 1 283 . 18 1 1 A 25 25 VAL CB C 48 32.500 32.165 0.335 1 1 286 . 18 1 1 A 25 25 VAL N N 48 118.100 120.741 -2.641 1 1 287 . 18 1 1 A 26 26 GLU H H 49 8.580 7.594 0.986 1 1 288 . 18 1 1 A 26 26 GLU HA H 49 4.160 4.326 -0.166 1 1 293 . 18 1 1 A 26 26 GLU C C 49 176.900 177.147 -0.247 1 1 294 . 18 1 1 A 26 26 GLU CA C 49 57.400 57.763 -0.363 1 1 295 . 18 1 1 A 26 26 GLU CB C 49 29.800 29.891 -0.091 1 1 297 . 18 1 1 A 26 26 GLU N N 49 123.900 122.221 1.679 1 1 298 . 18 1 1 A 27 27 GLY H H 50 8.330 8.450 -0.120 1 1 299 . 18 1 1 A 27 27 GLY HA2 H 50 3.890 3.970 -0.080 1 1 300 . 18 1 1 A 27 27 GLY HA3 H 50 3.830 3.981 -0.151 1 1 301 . 18 1 1 A 27 27 GLY C C 50 173.800 173.651 0.149 1 1 302 . 18 1 1 A 27 27 GLY CA C 50 45.200 46.002 -0.802 1 1 303 . 18 1 1 A 27 27 GLY N N 50 109.500 110.564 -1.064 1 1 304 . 18 1 1 A 28 28 LEU H H 51 7.770 8.965 -1.195 1 1 305 . 18 1 1 A 28 28 LEU HA H 51 4.470 4.897 -0.427 1 1 315 . 18 1 1 A 28 28 LEU CA C 51 52.800 51.654 1.146 1 1 316 . 18 1 1 A 28 28 LEU CB C 51 42.200 42.795 -0.595 1 1 320 . 18 1 1 A 28 28 LEU N N 51 123.000 125.454 -2.454 1 1 321 . 18 1 1 A 29 29 PRO HA H 52 4.660 4.723 -0.063 1 1 328 . 18 1 1 A 29 29 PRO CA C 52 61.600 61.557 0.043 1 1 329 . 18 1 1 A 29 29 PRO CB C 52 30.800 31.671 -0.871 1 1 332 . 18 1 1 A 30 30 PRO HA H 53 4.340 4.241 0.099 1 1 339 . 18 1 1 A 30 30 PRO C C 53 177.500 177.192 0.308 1 1 340 . 18 1 1 A 30 30 PRO CA C 53 63.500 63.688 -0.188 1 1 341 . 18 1 1 A 30 30 PRO CB C 53 32.000 31.688 0.312 1 1 344 . 18 1 1 A 31 31 GLY H H 54 8.690 8.807 -0.117 1 1 345 . 18 1 1 A 31 31 GLY HA2 H 54 4.060 3.838 0.222 1 1 346 . 18 1 1 A 31 31 GLY HA3 H 54 3.660 3.903 -0.243 1 1 347 . 18 1 1 A 31 31 GLY C C 54 172.900 173.873 -0.973 1 1 348 . 18 1 1 A 31 31 GLY CA C 54 45.400 45.547 -0.147 1 1 349 . 18 1 1 A 31 31 GLY N N 54 110.100 111.546 -1.446 1 1 350 . 18 1 1 A 32 32 LEU H H 55 7.510 7.956 -0.446 1 1 351 . 18 1 1 A 32 32 LEU HA H 55 4.960 4.947 0.013 1 1 361 . 18 1 1 A 32 32 LEU C C 55 175.400 175.956 -0.556 1 1 362 . 18 1 1 A 32 32 LEU CA C 55 54.100 53.811 0.289 1 1 363 . 18 1 1 A 32 32 LEU CB C 55 44.400 44.378 0.022 1 1 367 . 18 1 1 A 32 32 LEU N N 55 119.300 122.316 -3.016 1 1 368 . 18 1 1 A 33 33 ALA H H 56 7.840 8.930 -1.090 1 1 369 . 18 1 1 A 33 33 ALA HA H 56 4.500 5.060 -0.560 1 1 373 . 18 1 1 A 33 33 ALA C C 56 178.200 175.202 2.998 1 1 374 . 18 1 1 A 33 33 ALA CA C 56 51.100 50.277 0.823 1 1 375 . 18 1 1 A 33 33 ALA CB C 56 23.900 23.191 0.709 1 1 376 . 18 1 1 A 33 33 ALA N N 56 121.800 125.122 -3.322 1 1 377 . 18 1 1 A 34 34 LEU H H 57 8.640 8.105 0.535 1 1 378 . 18 1 1 A 34 34 LEU HA H 57 4.930 5.179 -0.249 1 1 388 . 18 1 1 A 34 34 LEU C C 57 174.400 175.694 -1.294 1 1 389 . 18 1 1 A 34 34 LEU CA C 57 53.400 53.564 -0.164 1 1 390 . 18 1 1 A 34 34 LEU CB C 57 47.300 45.371 1.929 1 1 394 . 18 1 1 A 34 34 LEU N N 57 119.200 119.994 -0.794 1 1 395 . 18 1 1 A 35 35 LEU H H 58 8.640 8.336 0.304 1 1 396 . 18 1 1 A 35 35 LEU HA H 58 5.440 5.129 0.311 1 1 406 . 18 1 1 A 35 35 LEU C C 58 176.200 175.896 0.304 1 1 407 . 18 1 1 A 35 35 LEU CA C 58 52.600 53.281 -0.681 1 1 408 . 18 1 1 A 35 35 LEU CB C 58 46.000 43.525 2.475 1 1 412 . 18 1 1 A 35 35 LEU N N 58 119.400 122.044 -2.644 1 1 413 . 18 1 1 A 36 36 VAL H H 59 8.960 8.973 -0.013 1 1 414 . 18 1 1 A 36 36 VAL HA H 59 4.860 5.036 -0.176 1 1 422 . 18 1 1 A 36 36 VAL C C 59 176.400 175.311 1.089 1 1 423 . 18 1 1 A 36 36 VAL CA C 59 59.900 60.138 -0.238 1 1 424 . 18 1 1 A 36 36 VAL CB C 59 34.600 34.587 0.013 1 1 427 . 18 1 1 A 36 36 VAL N N 59 120.700 124.425 -3.725 1 1 428 . 18 1 1 A 37 37 VAL H H 60 8.830 8.738 0.092 1 1 429 . 18 1 1 A 37 37 VAL HA H 60 4.170 4.210 -0.040 1 1 437 . 18 1 1 A 37 37 VAL C C 60 176.000 175.934 0.066 1 1 438 . 18 1 1 A 37 37 VAL CA C 60 63.900 63.872 0.028 1 1 439 . 18 1 1 A 37 37 VAL CB C 60 31.400 32.026 -0.626 1 1 442 . 18 1 1 A 37 37 VAL N N 60 125.700 126.928 -1.228 1 1 443 . 18 1 1 A 38 38 LYS H H 61 9.400 9.009 0.391 1 1 444 . 18 1 1 A 38 38 LYS HA H 61 4.450 4.313 0.137 1 1 453 . 18 1 1 A 38 38 LYS C C 61 176.000 175.776 0.224 1 1 454 . 18 1 1 A 38 38 LYS CA C 61 56.900 57.547 -0.647 1 1 455 . 18 1 1 A 38 38 LYS CB C 61 34.200 33.914 0.286 1 1 459 . 18 1 1 A 38 38 LYS N N 61 131.900 129.063 2.837 1 1 460 . 18 1 1 A 39 39 ARG H H 62 7.990 7.777 0.213 1 1 461 . 18 1 1 A 39 39 ARG HA H 62 4.700 4.846 -0.146 1 1 469 . 18 1 1 A 39 39 ARG C C 62 173.600 174.723 -1.123 1 1 470 . 18 1 1 A 39 39 ARG CA C 62 55.100 55.363 -0.263 1 1 471 . 18 1 1 A 39 39 ARG CB C 62 34.100 34.096 0.004 1 1 474 . 18 1 1 A 39 39 ARG N N 62 117.300 118.661 -1.361 1 1 476 . 18 1 1 A 40 40 GLY H H 63 8.480 8.412 0.068 1 1 477 . 18 1 1 A 40 40 GLY HA2 H 63 4.290 4.139 0.151 1 1 478 . 18 1 1 A 40 40 GLY HA3 H 63 3.580 4.188 -0.608 1 1 479 . 18 1 1 A 40 40 GLY CA C 63 43.800 44.530 -0.730 1 1 480 . 18 1 1 A 40 40 GLY N N 63 110.800 112.829 -2.029 1 1 481 . 18 1 1 A 41 41 PRO HA H 64 4.300 4.391 -0.091 1 1 488 . 18 1 1 A 41 41 PRO C C 64 175.900 177.698 -1.798 1 1 489 . 18 1 1 A 41 41 PRO CA C 64 64.400 65.231 -0.831 1 1 490 . 18 1 1 A 41 41 PRO CB C 64 31.500 31.942 -0.442 1 1 493 . 18 1 1 A 42 42 ASN H H 65 8.310 8.616 -0.306 1 1 494 . 18 1 1 A 42 42 ASN HA H 65 4.770 4.921 -0.151 1 1 499 . 18 1 1 A 42 42 ASN C C 65 177.500 175.140 2.360 1 1 500 . 18 1 1 A 42 42 ASN CA C 65 52.100 53.027 -0.927 1 1 501 . 18 1 1 A 42 42 ASN CB C 65 36.700 38.953 -2.253 1 1 503 . 18 1 1 A 42 42 ASN N N 65 114.500 114.649 -0.149 1 1 505 . 18 1 1 A 43 43 ALA H H 66 7.470 7.488 -0.018 1 1 506 . 18 1 1 A 43 43 ALA HA H 66 3.690 4.146 -0.456 1 1 510 . 18 1 1 A 43 43 ALA C C 66 177.800 178.447 -0.647 1 1 511 . 18 1 1 A 43 43 ALA CA C 66 54.200 53.849 0.351 1 1 512 . 18 1 1 A 43 43 ALA CB C 66 17.700 18.499 -0.799 1 1 513 . 18 1 1 A 43 43 ALA N N 66 122.100 122.221 -0.121 1 1 514 . 18 1 1 A 44 44 GLY H H 67 9.120 8.957 0.163 1 1 515 . 18 1 1 A 44 44 GLY HA2 H 67 4.440 3.994 0.446 1 1 516 . 18 1 1 A 44 44 GLY HA3 H 67 3.490 3.995 -0.505 1 1 517 . 18 1 1 A 44 44 GLY C C 67 174.900 174.350 0.550 1 1 518 . 18 1 1 A 44 44 GLY CA C 67 44.600 44.868 -0.268 1 1 519 . 18 1 1 A 44 44 GLY N N 67 111.800 110.811 0.989 1 1 520 . 18 1 1 A 45 45 SER H H 68 8.090 8.001 0.089 1 1 521 . 18 1 1 A 45 45 SER HA H 68 4.280 4.337 -0.057 1 1 524 . 18 1 1 A 45 45 SER C C 68 171.500 173.731 -2.231 1 1 525 . 18 1 1 A 45 45 SER CA C 68 60.500 58.374 2.126 1 1 526 . 18 1 1 A 45 45 SER CB C 68 63.800 63.989 -0.189 1 1 527 . 18 1 1 A 45 45 SER N N 68 117.400 117.168 0.232 1 1 528 . 18 1 1 A 46 46 ARG H H 69 8.120 8.698 -0.578 1 1 529 . 18 1 1 A 46 46 ARG HA H 69 5.140 5.194 -0.054 1 1 537 . 18 1 1 A 46 46 ARG C C 69 174.600 173.837 0.763 1 1 538 . 18 1 1 A 46 46 ARG CA C 69 54.200 54.072 0.128 1 1 539 . 18 1 1 A 46 46 ARG CB C 69 33.900 33.654 0.246 1 1 542 . 18 1 1 A 46 46 ARG N N 69 119.800 122.303 -2.503 1 1 544 . 18 1 1 A 47 47 PHE H H 70 9.180 8.538 0.642 1 1 545 . 18 1 1 A 47 47 PHE HA H 70 4.720 4.951 -0.231 1 1 553 . 18 1 1 A 47 47 PHE C C 70 173.900 174.316 -0.416 1 1 554 . 18 1 1 A 47 47 PHE CA C 70 56.400 56.735 -0.335 1 1 555 . 18 1 1 A 47 47 PHE CB C 70 41.500 43.636 -2.136 1 1 561 . 18 1 1 A 47 47 PHE N N 70 120.800 118.963 1.837 1 1 562 . 18 1 1 A 48 48 LEU H H 71 8.720 8.879 -0.159 1 1 563 . 18 1 1 A 48 48 LEU HA H 71 4.450 5.114 -0.664 1 1 573 . 18 1 1 A 48 48 LEU C C 71 176.300 174.403 1.897 1 1 574 . 18 1 1 A 48 48 LEU CA C 71 54.900 53.617 1.283 1 1 575 . 18 1 1 A 48 48 LEU CB C 71 43.200 45.298 -2.098 1 1 579 . 18 1 1 A 48 48 LEU N N 71 125.300 123.395 1.905 1 1 580 . 18 1 1 A 49 49 LEU H H 72 8.730 8.711 0.019 1 1 581 . 18 1 1 A 49 49 LEU HA H 72 4.770 4.814 -0.044 1 1 591 . 18 1 1 A 49 49 LEU C C 72 174.800 174.720 0.080 1 1 592 . 18 1 1 A 49 49 LEU CA C 72 53.200 54.315 -1.115 1 1 593 . 18 1 1 A 49 49 LEU CB C 72 40.900 42.145 -1.245 1 1 597 . 18 1 1 A 49 49 LEU N N 72 126.900 127.429 -0.529 1 1 598 . 18 1 1 A 50 50 ASP H H 73 8.350 8.654 -0.304 1 1 599 . 18 1 1 A 50 50 ASP HA H 73 4.790 4.959 -0.169 1 1 602 . 18 1 1 A 50 50 ASP C C 73 175.600 174.611 0.989 1 1 603 . 18 1 1 A 50 50 ASP CA C 73 53.000 53.012 -0.012 1 1 604 . 18 1 1 A 50 50 ASP CB C 73 41.400 41.313 0.087 1 1 605 . 18 1 1 A 50 50 ASP N N 73 120.400 126.987 -6.587 1 1 606 . 18 1 1 A 51 51 GLN H H 74 7.670 7.526 0.144 1 1 607 . 18 1 1 A 51 51 GLN HA H 74 4.660 4.765 -0.105 1 1 614 . 18 1 1 A 51 51 GLN C C 74 175.400 175.894 -0.494 1 1 615 . 18 1 1 A 51 51 GLN CA C 74 53.700 54.140 -0.440 1 1 616 . 18 1 1 A 51 51 GLN CB C 74 31.300 32.115 -0.815 1 1 619 . 18 1 1 A 51 51 GLN N N 74 116.200 119.723 -3.523 1 1 621 . 18 1 1 A 52 52 ALA H H 75 8.720 8.580 0.140 1 1 622 . 18 1 1 A 52 52 ALA HA H 75 4.170 4.178 -0.008 1 1 626 . 18 1 1 A 52 52 ALA C C 75 178.300 177.701 0.599 1 1 627 . 18 1 1 A 52 52 ALA CA C 75 55.700 54.694 1.006 1 1 628 . 18 1 1 A 52 52 ALA CB C 75 18.500 19.299 -0.799 1 1 629 . 18 1 1 A 52 52 ALA N N 75 123.200 123.433 -0.233 1 1 630 . 18 1 1 A 53 53 ILE H H 76 8.030 7.921 0.109 1 1 631 . 18 1 1 A 53 53 ILE HA H 76 4.650 4.780 -0.130 1 1 641 . 18 1 1 A 53 53 ILE C C 76 175.100 174.391 0.709 1 1 642 . 18 1 1 A 53 53 ILE CA C 76 61.100 59.934 1.166 1 1 643 . 18 1 1 A 53 53 ILE CB C 76 40.500 41.676 -1.176 1 1 647 . 18 1 1 A 53 53 ILE N N 76 115.400 116.919 -1.519 1 1 648 . 18 1 1 A 54 54 THR H H 77 8.840 8.988 -0.148 1 1 649 . 18 1 1 A 54 54 THR HA H 77 4.940 5.118 -0.178 1 1 654 . 18 1 1 A 54 54 THR C C 77 174.600 173.369 1.231 1 1 655 . 18 1 1 A 54 54 THR CA C 77 61.400 61.663 -0.263 1 1 656 . 18 1 1 A 54 54 THR CB C 77 70.300 70.782 -0.482 1 1 658 . 18 1 1 A 54 54 THR N N 77 125.300 124.761 0.539 1 1 659 . 18 1 1 A 55 55 SER H H 78 10.690 8.891 1.799 1 1 660 . 18 1 1 A 55 55 SER HA H 78 4.720 4.940 -0.220 1 1 663 . 18 1 1 A 55 55 SER C C 78 172.600 173.724 -1.124 1 1 664 . 18 1 1 A 55 55 SER CA C 78 57.800 56.141 1.659 1 1 665 . 18 1 1 A 55 55 SER CB C 78 65.200 64.826 0.374 1 1 666 . 18 1 1 A 55 55 SER N N 78 126.300 122.041 4.259 1 1 667 . 18 1 1 A 56 56 ALA H H 79 8.840 8.129 0.711 1 1 668 . 18 1 1 A 56 56 ALA HA H 79 5.720 4.758 0.962 1 1 672 . 18 1 1 A 56 56 ALA C C 79 175.800 177.891 -2.091 1 1 673 . 18 1 1 A 56 56 ALA CA C 79 49.800 50.807 -1.007 1 1 674 . 18 1 1 A 56 56 ALA CB C 79 21.900 21.200 0.700 1 1 675 . 18 1 1 A 56 56 ALA N N 79 123.200 124.491 -1.291 1 1 676 . 18 1 1 A 57 57 GLY H H 80 8.410 8.585 -0.175 1 1 677 . 18 1 1 A 57 57 GLY HA2 H 80 4.400 3.820 0.580 1 1 678 . 18 1 1 A 57 57 GLY HA3 H 80 3.970 3.894 0.076 1 1 679 . 18 1 1 A 57 57 GLY C C 80 174.800 173.832 0.968 1 1 680 . 18 1 1 A 57 57 GLY CA C 80 46.300 46.728 -0.428 1 1 681 . 18 1 1 A 57 57 GLY N N 80 108.700 107.312 1.388 1 1 682 . 18 1 1 A 58 58 ARG H H 81 8.330 8.495 -0.165 1 1 683 . 18 1 1 A 58 58 ARG HA H 81 4.440 4.309 0.131 1 1 690 . 18 1 1 A 58 58 ARG C C 81 176.400 175.512 0.888 1 1 691 . 18 1 1 A 58 58 ARG CA C 81 54.700 56.411 -1.711 1 1 692 . 18 1 1 A 58 58 ARG CB C 81 32.300 30.906 1.394 1 1 695 . 18 1 1 A 58 58 ARG N N 81 120.400 123.352 -2.952 1 1 696 . 18 1 1 A 59 59 HIS H H 82 9.040 8.583 0.457 1 1 697 . 18 1 1 A 59 59 HIS HA H 82 4.280 5.098 -0.818 1 1 702 . 18 1 1 A 59 59 HIS CA C 82 56.800 53.331 3.469 1 1 703 . 18 1 1 A 59 59 HIS CB C 82 30.900 31.102 -0.202 1 1 705 . 18 1 1 A 59 59 HIS N N 82 124.300 120.132 4.168 1 1 708 . 18 1 1 A 60 60 PRO HA H 83 3.640 4.435 -0.795 1 1 715 . 18 1 1 A 60 60 PRO C C 83 177.000 177.023 -0.023 1 1 716 . 18 1 1 A 60 60 PRO CA C 83 64.800 65.308 -0.508 1 1 717 . 18 1 1 A 60 60 PRO CB C 83 31.700 31.911 -0.211 1 1 720 . 18 1 1 A 61 61 ASP H H 84 11.140 8.138 3.002 1 1 721 . 18 1 1 A 61 61 ASP HA H 84 4.700 4.783 -0.083 1 1 724 . 18 1 1 A 61 61 ASP C C 84 177.400 175.052 2.348 1 1 725 . 18 1 1 A 61 61 ASP CA C 84 53.900 53.236 0.664 1 1 726 . 18 1 1 A 61 61 ASP CB C 84 40.500 39.605 0.895 1 1 727 . 18 1 1 A 61 61 ASP N N 84 121.600 117.893 3.707 1 1 728 . 18 1 1 A 62 62 SER H H 85 8.190 7.669 0.521 1 1 729 . 18 1 1 A 62 62 SER HA H 85 4.030 5.000 -0.970 1 1 733 . 18 1 1 A 62 62 SER C C 85 173.400 173.631 -0.231 1 1 734 . 18 1 1 A 62 62 SER CA C 85 60.400 56.984 3.416 1 1 735 . 18 1 1 A 62 62 SER CB C 85 65.200 64.766 0.434 1 1 736 . 18 1 1 A 62 62 SER N N 85 118.100 119.422 -1.322 1 1 737 . 18 1 1 A 63 63 ASP H H 86 8.270 8.555 -0.285 1 1 738 . 18 1 1 A 63 63 ASP HA H 86 4.390 4.540 -0.150 1 1 741 . 18 1 1 A 63 63 ASP C C 86 177.200 177.303 -0.103 1 1 742 . 18 1 1 A 63 63 ASP CA C 86 58.300 57.778 0.522 1 1 743 . 18 1 1 A 63 63 ASP CB C 86 42.100 41.132 0.968 1 1 744 . 18 1 1 A 63 63 ASP N N 86 125.600 123.831 1.769 1 1 745 . 18 1 1 A 64 64 ILE H H 87 8.470 7.794 0.676 1 1 746 . 18 1 1 A 64 64 ILE HA H 87 3.560 3.768 -0.208 1 1 756 . 18 1 1 A 64 64 ILE C C 87 172.900 175.083 -2.183 1 1 757 . 18 1 1 A 64 64 ILE CA C 87 60.500 61.031 -0.531 1 1 758 . 18 1 1 A 64 64 ILE CB C 87 37.400 38.206 -0.806 1 1 762 . 18 1 1 A 64 64 ILE N N 87 119.500 119.487 0.013 1 1 763 . 18 1 1 A 65 65 PHE H H 88 8.100 8.687 -0.587 1 1 764 . 18 1 1 A 65 65 PHE HA H 88 5.010 5.142 -0.132 1 1 772 . 18 1 1 A 65 65 PHE C C 88 174.000 173.668 0.332 1 1 773 . 18 1 1 A 65 65 PHE CA C 88 55.600 56.022 -0.422 1 1 774 . 18 1 1 A 65 65 PHE CB C 88 38.800 40.288 -1.488 1 1 779 . 18 1 1 A 65 65 PHE N N 88 127.100 128.024 -0.924 1 1 780 . 18 1 1 A 66 66 LEU H H 89 7.710 8.672 -0.962 1 1 781 . 18 1 1 A 66 66 LEU HA H 89 3.620 4.887 -1.267 1 1 791 . 18 1 1 A 66 66 LEU C C 89 173.500 175.235 -1.735 1 1 792 . 18 1 1 A 66 66 LEU CA C 89 52.100 53.015 -0.915 1 1 793 . 18 1 1 A 66 66 LEU CB C 89 41.300 43.160 -1.860 1 1 797 . 18 1 1 A 66 66 LEU N N 89 131.900 128.461 3.439 1 1 798 . 18 1 1 A 67 67 ASP H H 90 7.980 8.684 -0.704 1 1 799 . 18 1 1 A 67 67 ASP HA H 90 4.260 5.036 -0.776 1 1 802 . 18 1 1 A 67 67 ASP C C 90 174.800 174.334 0.466 1 1 803 . 18 1 1 A 67 67 ASP CA C 90 53.100 53.180 -0.080 1 1 804 . 18 1 1 A 67 67 ASP CB C 90 39.900 42.101 -2.201 1 1 805 . 18 1 1 A 67 67 ASP N N 90 120.000 124.323 -4.323 1 1 806 . 18 1 1 A 68 68 ASP H H 91 7.480 8.233 -0.753 1 1 807 . 18 1 1 A 68 68 ASP HA H 91 4.850 5.124 -0.274 1 1 810 . 18 1 1 A 68 68 ASP C C 91 175.600 175.241 0.359 1 1 811 . 18 1 1 A 68 68 ASP CA C 91 54.900 52.641 2.259 1 1 812 . 18 1 1 A 68 68 ASP CB C 91 48.500 44.619 3.881 1 1 813 . 18 1 1 A 68 68 ASP N N 91 121.400 122.296 -0.896 1 1 814 . 18 1 1 A 69 69 VAL H H 92 8.370 8.589 -0.219 1 1 815 . 18 1 1 A 69 69 VAL HA H 92 4.060 3.794 0.266 1 1 823 . 18 1 1 A 69 69 VAL C C 92 175.900 177.103 -1.203 1 1 824 . 18 1 1 A 69 69 VAL CA C 92 64.800 63.218 1.582 1 1 825 . 18 1 1 A 69 69 VAL CB C 92 31.700 32.431 -0.731 1 1 828 . 18 1 1 A 69 69 VAL N N 92 121.900 119.639 2.261 1 1 829 . 18 1 1 A 70 70 THR H H 93 8.360 8.871 -0.511 1 1 830 . 18 1 1 A 70 70 THR HA H 93 4.060 4.249 -0.189 1 1 836 . 18 1 1 A 70 70 THR C C 93 175.100 173.205 1.895 1 1 837 . 18 1 1 A 70 70 THR CA C 93 63.700 63.820 -0.120 1 1 838 . 18 1 1 A 70 70 THR CB C 93 70.300 66.838 3.462 1 1 840 . 18 1 1 A 70 70 THR N N 93 111.100 119.766 -8.666 1 1 841 . 18 1 1 A 71 71 VAL H H 94 8.240 7.403 0.837 1 1 842 . 18 1 1 A 71 71 VAL HA H 94 4.520 4.669 -0.149 1 1 850 . 18 1 1 A 71 71 VAL C C 94 176.800 174.999 1.801 1 1 851 . 18 1 1 A 71 71 VAL CA C 94 61.200 61.039 0.161 1 1 852 . 18 1 1 A 71 71 VAL CB C 94 33.500 34.554 -1.054 1 1 855 . 18 1 1 A 71 71 VAL N N 94 125.500 123.930 1.570 1 1 856 . 18 1 1 A 72 72 SER H H 95 11.410 8.781 2.629 1 1 857 . 18 1 1 A 72 72 SER HA H 95 4.670 4.753 -0.083 1 1 860 . 18 1 1 A 72 72 SER C C 95 174.500 175.073 -0.573 1 1 861 . 18 1 1 A 72 72 SER CA C 95 60.600 57.112 3.488 1 1 862 . 18 1 1 A 72 72 SER CB C 95 64.200 64.490 -0.290 1 1 863 . 18 1 1 A 72 72 SER N N 95 126.800 121.720 5.080 1 1 864 . 18 1 1 A 73 73 ARG H H 96 9.260 8.392 0.868 1 1 865 . 18 1 1 A 73 73 ARG HA H 96 3.770 4.103 -0.333 1 1 873 . 18 1 1 A 73 73 ARG C C 96 176.600 176.499 0.101 1 1 874 . 18 1 1 A 73 73 ARG CA C 96 61.300 58.421 2.879 1 1 875 . 18 1 1 A 73 73 ARG CB C 96 29.800 30.548 -0.748 1 1 878 . 18 1 1 A 73 73 ARG N N 96 124.600 122.272 2.328 1 1 880 . 18 1 1 A 74 74 ARG H H 97 7.800 7.598 0.202 1 1 881 . 18 1 1 A 74 74 ARG HA H 97 4.440 4.949 -0.509 1 1 889 . 18 1 1 A 74 74 ARG C C 97 173.100 176.158 -3.058 1 1 890 . 18 1 1 A 74 74 ARG CA C 97 54.800 55.163 -0.363 1 1 891 . 18 1 1 A 74 74 ARG CB C 97 29.300 30.847 -1.547 1 1 894 . 18 1 1 A 74 74 ARG N N 97 114.800 115.113 -0.313 1 1 896 . 18 1 1 A 75 75 HIS H H 98 7.840 8.833 -0.993 1 1 897 . 18 1 1 A 75 75 HIS HA H 98 4.430 4.207 0.223 1 1 903 . 18 1 1 A 75 75 HIS C C 98 173.800 174.484 -0.684 1 1 904 . 18 1 1 A 75 75 HIS CA C 98 57.800 59.907 -2.107 1 1 905 . 18 1 1 A 75 75 HIS CB C 98 35.000 30.235 4.765 1 1 908 . 18 1 1 A 75 75 HIS N N 98 124.400 122.199 2.201 1 1 910 . 18 1 1 A 76 76 ALA H H 99 8.490 7.621 0.869 1 1 911 . 18 1 1 A 76 76 ALA HA H 99 5.580 4.508 1.072 1 1 915 . 18 1 1 A 76 76 ALA C C 99 176.500 174.710 1.790 1 1 916 . 18 1 1 A 76 76 ALA CA C 99 50.300 51.336 -1.036 1 1 917 . 18 1 1 A 76 76 ALA CB C 99 23.200 22.792 0.408 1 1 918 . 18 1 1 A 76 76 ALA N N 99 116.600 117.868 -1.268 1 1 919 . 18 1 1 A 77 77 GLU H H 100 9.030 8.536 0.494 1 1 920 . 18 1 1 A 77 77 GLU HA H 100 5.030 5.004 0.026 1 1 925 . 18 1 1 A 77 77 GLU C C 100 174.100 174.519 -0.419 1 1 926 . 18 1 1 A 77 77 GLU CA C 100 54.500 54.830 -0.330 1 1 927 . 18 1 1 A 77 77 GLU CB C 100 34.900 33.517 1.383 1 1 929 . 18 1 1 A 77 77 GLU N N 100 118.100 120.288 -2.188 1 1 930 . 18 1 1 A 78 78 PHE H H 101 9.400 9.041 0.359 1 1 931 . 18 1 1 A 78 78 PHE HA H 101 5.400 5.407 -0.007 1 1 939 . 18 1 1 A 78 78 PHE C C 101 176.500 175.459 1.041 1 1 940 . 18 1 1 A 78 78 PHE CA C 101 56.700 56.533 0.167 1 1 941 . 18 1 1 A 78 78 PHE CB C 101 41.000 42.274 -1.274 1 1 946 . 18 1 1 A 78 78 PHE N N 101 119.600 123.962 -4.362 1 1 947 . 18 1 1 A 79 79 ARG H H 102 9.720 9.109 0.611 1 1 948 . 18 1 1 A 79 79 ARG HA H 102 5.490 5.087 0.403 1 1 956 . 18 1 1 A 79 79 ARG C C 102 174.300 174.367 -0.067 1 1 957 . 18 1 1 A 79 79 ARG CA C 102 54.800 54.752 0.048 1 1 958 . 18 1 1 A 79 79 ARG CB C 102 33.100 34.091 -0.991 1 1 961 . 18 1 1 A 79 79 ARG N N 102 126.100 120.957 5.143 1 1 963 . 18 1 1 A 80 80 LEU H H 103 9.020 8.707 0.313 1 1 964 . 18 1 1 A 80 80 LEU HA H 103 4.400 4.902 -0.502 1 1 974 . 18 1 1 A 80 80 LEU C C 103 176.100 176.727 -0.627 1 1 975 . 18 1 1 A 80 80 LEU CA C 103 54.100 54.180 -0.080 1 1 976 . 18 1 1 A 80 80 LEU CB C 103 42.600 44.134 -1.534 1 1 980 . 18 1 1 A 80 80 LEU N N 103 128.000 125.421 2.579 1 1 981 . 18 1 1 A 81 81 GLU H H 104 8.860 8.485 0.375 1 1 982 . 18 1 1 A 81 81 GLU HA H 104 4.430 4.628 -0.198 1 1 987 . 18 1 1 A 81 81 GLU C C 104 175.800 177.959 -2.159 1 1 988 . 18 1 1 A 81 81 GLU CA C 104 55.500 54.492 1.008 1 1 989 . 18 1 1 A 81 81 GLU CB C 104 32.600 30.096 2.504 1 1 991 . 18 1 1 A 81 81 GLU N N 104 128.600 124.080 4.520 1 1 992 . 18 1 1 A 82 82 ASN H H 105 9.410 8.508 0.902 1 1 993 . 18 1 1 A 82 82 ASN HA H 105 4.200 4.476 -0.276 1 1 998 . 18 1 1 A 82 82 ASN C C 105 174.300 175.991 -1.691 1 1 999 . 18 1 1 A 82 82 ASN CA C 105 54.700 56.115 -1.415 1 1 1000 . 18 1 1 A 82 82 ASN CB C 105 37.200 38.954 -1.754 1 1 1002 . 18 1 1 A 82 82 ASN N N 105 124.600 117.186 7.414 1 1 1004 . 18 1 1 A 83 83 ASN H H 106 8.640 7.908 0.732 1 1 1005 . 18 1 1 A 83 83 ASN HA H 106 4.010 4.812 -0.802 1 1 1010 . 18 1 1 A 83 83 ASN C C 106 173.100 174.359 -1.259 1 1 1011 . 18 1 1 A 83 83 ASN CA C 106 54.900 52.650 2.250 1 1 1012 . 18 1 1 A 83 83 ASN CB C 106 38.100 39.655 -1.555 1 1 1014 . 18 1 1 A 83 83 ASN N N 106 108.900 113.279 -4.379 1 1 1016 . 18 1 1 A 84 84 GLU H H 107 7.660 7.874 -0.214 1 1 1017 . 18 1 1 A 84 84 GLU HA H 107 4.660 4.693 -0.033 1 1 1022 . 18 1 1 A 84 84 GLU C C 107 174.300 174.796 -0.496 1 1 1023 . 18 1 1 A 84 84 GLU CA C 107 54.700 55.490 -0.790 1 1 1024 . 18 1 1 A 84 84 GLU CB C 107 32.900 30.773 2.127 1 1 1026 . 18 1 1 A 84 84 GLU N N 107 118.300 117.085 1.215 1 1 1027 . 18 1 1 A 85 85 PHE H H 108 9.690 8.080 1.610 1 1 1028 . 18 1 1 A 85 85 PHE HA H 108 5.000 5.169 -0.169 1 1 1035 . 18 1 1 A 85 85 PHE C C 108 174.500 174.294 0.206 1 1 1036 . 18 1 1 A 85 85 PHE CA C 108 58.600 56.404 2.196 1 1 1037 . 18 1 1 A 85 85 PHE CB C 108 41.800 43.890 -2.090 1 1 1042 . 18 1 1 A 85 85 PHE N N 108 121.100 118.450 2.650 1 1 1043 . 18 1 1 A 86 86 ASN H H 109 9.180 9.105 0.075 1 1 1044 . 18 1 1 A 86 86 ASN HA H 109 5.580 5.353 0.227 1 1 1049 . 18 1 1 A 86 86 ASN C C 109 175.000 173.868 1.132 1 1 1050 . 18 1 1 A 86 86 ASN CA C 109 51.200 52.618 -1.418 1 1 1051 . 18 1 1 A 86 86 ASN CB C 109 42.100 43.338 -1.238 1 1 1053 . 18 1 1 A 86 86 ASN N N 109 119.400 117.898 1.502 1 1 1055 . 18 1 1 A 87 87 VAL H H 110 9.060 8.657 0.403 1 1 1056 . 18 1 1 A 87 87 VAL HA H 110 4.940 4.914 0.026 1 1 1064 . 18 1 1 A 87 87 VAL C C 110 171.700 173.602 -1.902 1 1 1065 . 18 1 1 A 87 87 VAL CA C 110 58.400 59.943 -1.543 1 1 1066 . 18 1 1 A 87 87 VAL CB C 110 33.800 34.673 -0.873 1 1 1069 . 18 1 1 A 87 87 VAL N N 110 121.300 120.463 0.837 1 1 1070 . 18 1 1 A 88 88 VAL H H 111 8.640 8.972 -0.332 1 1 1071 . 18 1 1 A 88 88 VAL HA H 111 4.590 4.577 0.013 1 1 1079 . 18 1 1 A 88 88 VAL C C 111 175.700 173.562 2.138 1 1 1080 . 18 1 1 A 88 88 VAL CA C 111 60.100 60.705 -0.605 1 1 1081 . 18 1 1 A 88 88 VAL CB C 111 36.200 34.834 1.366 1 1 1084 . 18 1 1 A 88 88 VAL N N 111 125.500 127.896 -2.396 1 1 1085 . 18 1 1 A 89 89 ASP H H 112 8.480 8.269 0.211 1 1 1086 . 18 1 1 A 89 89 ASP HA H 112 4.870 4.985 -0.115 1 1 1089 . 18 1 1 A 89 89 ASP C C 112 177.200 175.917 1.283 1 1 1090 . 18 1 1 A 89 89 ASP CA C 112 54.700 52.493 2.207 1 1 1091 . 18 1 1 A 89 89 ASP CB C 112 43.600 42.453 1.147 1 1 1092 . 18 1 1 A 89 89 ASP N N 112 126.600 127.706 -1.106 1 1 1093 . 18 1 1 A 90 90 VAL H H 113 7.980 8.533 -0.553 1 1 1094 . 18 1 1 A 90 90 VAL HA H 113 4.540 4.276 0.264 1 1 1102 . 18 1 1 A 90 90 VAL C C 113 174.400 177.625 -3.225 1 1 1103 . 18 1 1 A 90 90 VAL CA C 113 60.300 61.485 -1.185 1 1 1104 . 18 1 1 A 90 90 VAL CB C 113 29.500 32.655 -3.155 1 1 1107 . 18 1 1 A 90 90 VAL N N 113 119.700 122.312 -2.612 1 1 1108 . 18 1 1 A 91 91 GLY H H 114 8.600 8.508 0.092 1 1 1109 . 18 1 1 A 91 91 GLY HA2 H 114 4.260 3.799 0.461 1 1 1110 . 18 1 1 A 91 91 GLY HA3 H 114 3.720 3.809 -0.089 1 1 1111 . 18 1 1 A 91 91 GLY C C 114 175.300 174.093 1.207 1 1 1112 . 18 1 1 A 91 91 GLY CA C 114 45.700 45.520 0.180 1 1 1113 . 18 1 1 A 91 91 GLY N N 114 111.300 110.587 0.713 1 1 1114 . 18 1 1 A 92 92 SER H H 115 9.190 7.378 1.812 1 1 1115 . 18 1 1 A 92 92 SER HA H 115 3.890 4.497 -0.607 1 1 1118 . 18 1 1 A 92 92 SER C C 115 174.500 174.764 -0.264 1 1 1119 . 18 1 1 A 92 92 SER CA C 115 58.600 58.905 -0.305 1 1 1120 . 18 1 1 A 92 92 SER CB C 115 61.300 63.759 -2.459 1 1 1121 . 18 1 1 A 92 92 SER N N 115 121.000 116.310 4.690 1 1 1122 . 18 1 1 A 93 93 LEU H H 116 7.720 8.468 -0.748 1 1 1123 . 18 1 1 A 93 93 LEU HA H 116 4.250 4.248 0.002 1 1 1133 . 18 1 1 A 93 93 LEU C C 116 179.100 176.997 2.103 1 1 1134 . 18 1 1 A 93 93 LEU CA C 116 57.200 54.595 2.605 1 1 1135 . 18 1 1 A 93 93 LEU CB C 116 42.100 42.867 -0.767 1 1 1139 . 18 1 1 A 93 93 LEU N N 116 120.500 125.065 -4.565 1 1 1140 . 18 1 1 A 94 94 ASN H H 117 8.450 9.036 -0.586 1 1 1141 . 18 1 1 A 94 94 ASN HA H 117 4.870 4.528 0.342 1 1 1146 . 18 1 1 A 94 94 ASN C C 117 175.800 174.162 1.638 1 1 1147 . 18 1 1 A 94 94 ASN CA C 117 54.000 55.119 -1.119 1 1 1148 . 18 1 1 A 94 94 ASN CB C 117 40.100 38.152 1.948 1 1 1150 . 18 1 1 A 94 94 ASN N N 117 112.500 119.929 -7.429 1 1 1152 . 18 1 1 A 95 95 GLY H H 118 7.940 7.783 0.157 1 1 1153 . 18 1 1 A 95 95 GLY HA2 H 118 4.190 3.950 0.240 1 1 1154 . 18 1 1 A 95 95 GLY HA3 H 118 3.610 4.055 -0.445 1 1 1155 . 18 1 1 A 95 95 GLY C C 118 174.000 171.432 2.568 1 1 1156 . 18 1 1 A 95 95 GLY CA C 118 44.300 45.656 -1.356 1 1 1157 . 18 1 1 A 95 95 GLY N N 118 109.800 107.716 2.084 1 1 1158 . 18 1 1 A 96 96 THR H H 119 8.940 8.754 0.186 1 1 1159 . 18 1 1 A 96 96 THR HA H 119 3.820 4.329 -0.509 1 1 1165 . 18 1 1 A 96 96 THR C C 119 172.300 173.596 -1.296 1 1 1166 . 18 1 1 A 96 96 THR CA C 119 64.100 62.612 1.488 1 1 1167 . 18 1 1 A 96 96 THR CB C 119 70.200 69.404 0.796 1 1 1169 . 18 1 1 A 96 96 THR N N 119 122.000 118.464 3.536 1 1 1170 . 18 1 1 A 97 97 TYR H H 120 8.220 8.957 -0.737 1 1 1171 . 18 1 1 A 97 97 TYR HA H 120 5.340 5.125 0.215 1 1 1178 . 18 1 1 A 97 97 TYR C C 120 175.900 174.345 1.555 1 1 1179 . 18 1 1 A 97 97 TYR CA C 120 55.600 56.424 -0.824 1 1 1180 . 18 1 1 A 97 97 TYR CB C 120 41.400 42.558 -1.158 1 1 1185 . 18 1 1 A 97 97 TYR N N 120 122.800 125.174 -2.374 1 1 1186 . 18 1 1 A 98 98 VAL H H 121 9.040 8.845 0.195 1 1 1187 . 18 1 1 A 98 98 VAL HA H 121 5.010 4.964 0.046 1 1 1195 . 18 1 1 A 98 98 VAL C C 121 176.900 175.327 1.573 1 1 1196 . 18 1 1 A 98 98 VAL CA C 121 61.100 59.615 1.485 1 1 1197 . 18 1 1 A 98 98 VAL CB C 121 33.000 34.397 -1.397 1 1 1200 . 18 1 1 A 98 98 VAL N N 121 121.400 121.677 -0.277 1 1 1201 . 18 1 1 A 99 99 ASN H H 122 10.100 8.550 1.550 1 1 1202 . 18 1 1 A 99 99 ASN HA H 122 4.440 4.452 -0.012 1 1 1207 . 18 1 1 A 99 99 ASN C C 122 174.500 175.241 -0.741 1 1 1208 . 18 1 1 A 99 99 ASN CA C 122 55.000 55.254 -0.254 1 1 1209 . 18 1 1 A 99 99 ASN CB C 122 37.000 37.145 -0.145 1 1 1211 . 18 1 1 A 99 99 ASN N N 122 129.400 127.251 2.149 1 1 1213 . 18 1 1 A 100 100 ARG H H 123 9.290 8.801 0.489 1 1 1214 . 18 1 1 A 100 100 ARG HA H 123 3.680 4.221 -0.541 1 1 1222 . 18 1 1 A 100 100 ARG C C 123 175.200 176.690 -1.490 1 1 1223 . 18 1 1 A 100 100 ARG CA C 123 58.100 57.832 0.268 1 1 1224 . 18 1 1 A 100 100 ARG CB C 123 27.600 30.448 -2.848 1 1 1227 . 18 1 1 A 100 100 ARG N N 123 106.100 122.573 -16.473 1 1 1229 . 18 1 1 A 101 101 GLU H H 124 7.970 7.807 0.163 1 1 1230 . 18 1 1 A 101 101 GLU HA H 124 5.110 4.708 0.402 1 1 1235 . 18 1 1 A 101 101 GLU CA C 124 53.000 53.655 -0.655 1 1 1236 . 18 1 1 A 101 101 GLU CB C 124 30.900 29.846 1.054 1 1 1238 . 18 1 1 A 101 101 GLU N N 124 121.300 116.163 5.137 1 1 1239 . 18 1 1 A 102 102 PRO HA H 125 4.050 4.683 -0.633 1 1 1246 . 18 1 1 A 102 102 PRO C C 125 177.500 176.394 1.106 1 1 1247 . 18 1 1 A 102 102 PRO CA C 125 62.300 63.193 -0.893 1 1 1248 . 18 1 1 A 102 102 PRO CB C 125 31.300 32.197 -0.897 1 1 1251 . 18 1 1 A 103 103 VAL H H 126 8.330 8.198 0.132 1 1 1252 . 18 1 1 A 103 103 VAL HA H 126 4.700 4.718 -0.018 1 1 1260 . 18 1 1 A 103 103 VAL C C 126 174.500 175.539 -1.039 1 1 1261 . 18 1 1 A 103 103 VAL CA C 126 58.900 59.709 -0.809 1 1 1262 . 18 1 1 A 103 103 VAL CB C 126 35.300 35.307 -0.007 1 1 1265 . 18 1 1 A 103 103 VAL N N 126 115.000 116.962 -1.962 1 1 1266 . 18 1 1 A 104 104 ASP H H 127 8.520 8.668 -0.148 1 1 1267 . 18 1 1 A 104 104 ASP HA H 127 4.780 4.433 0.347 1 1 1270 . 18 1 1 A 104 104 ASP C C 127 176.200 176.273 -0.073 1 1 1271 . 18 1 1 A 104 104 ASP CA C 127 55.800 57.176 -1.376 1 1 1272 . 18 1 1 A 104 104 ASP CB C 127 41.100 42.035 -0.935 1 1 1273 . 18 1 1 A 104 104 ASP N N 127 120.800 123.337 -2.537 1 1 1274 . 18 1 1 A 105 105 SER H H 128 7.650 7.795 -0.145 1 1 1275 . 18 1 1 A 105 105 SER HA H 128 5.440 4.855 0.585 1 1 1278 . 18 1 1 A 105 105 SER C C 128 173.400 172.901 0.499 1 1 1279 . 18 1 1 A 105 105 SER CA C 128 56.600 57.480 -0.880 1 1 1280 . 18 1 1 A 105 105 SER CB C 128 65.000 65.539 -0.539 1 1 1281 . 18 1 1 A 105 105 SER N N 128 111.500 110.192 1.308 1 1 1282 . 18 1 1 A 106 106 ALA H H 129 8.790 8.099 0.691 1 1 1283 . 18 1 1 A 106 106 ALA HA H 129 4.610 4.825 -0.215 1 1 1287 . 18 1 1 A 106 106 ALA C C 129 175.300 176.061 -0.761 1 1 1288 . 18 1 1 A 106 106 ALA CA C 129 52.100 51.504 0.596 1 1 1289 . 18 1 1 A 106 106 ALA CB C 129 22.600 22.831 -0.231 1 1 1290 . 18 1 1 A 106 106 ALA N N 129 125.100 122.190 2.910 1 1 1291 . 18 1 1 A 107 107 VAL H H 130 8.340 8.530 -0.190 1 1 1292 . 18 1 1 A 107 107 VAL HA H 130 4.160 4.366 -0.206 1 1 1300 . 18 1 1 A 107 107 VAL C C 130 176.300 175.628 0.672 1 1 1301 . 18 1 1 A 107 107 VAL CA C 130 62.600 62.159 0.441 1 1 1302 . 18 1 1 A 107 107 VAL CB C 130 32.000 32.160 -0.160 1 1 1305 . 18 1 1 A 107 107 VAL N N 130 122.800 119.465 3.335 1 1 1306 . 18 1 1 A 108 108 LEU H H 131 8.490 8.459 0.031 1 1 1307 . 18 1 1 A 108 108 LEU HA H 131 4.370 5.375 -1.005 1 1 1317 . 18 1 1 A 108 108 LEU C C 131 175.200 174.878 0.322 1 1 1318 . 18 1 1 A 108 108 LEU CA C 131 54.200 53.279 0.921 1 1 1319 . 18 1 1 A 108 108 LEU CB C 131 43.000 46.278 -3.278 1 1 1323 . 18 1 1 A 108 108 LEU N N 131 128.900 122.368 6.532 1 1 1324 . 18 1 1 A 109 109 ALA H H 132 9.130 9.149 -0.019 1 1 1325 . 18 1 1 A 109 109 ALA HA H 132 4.750 4.729 0.021 1 1 1329 . 18 1 1 A 109 109 ALA C C 132 176.500 176.382 0.118 1 1 1330 . 18 1 1 A 109 109 ALA CA C 132 49.700 50.999 -1.299 1 1 1331 . 18 1 1 A 109 109 ALA CB C 132 22.400 22.772 -0.372 1 1 1332 . 18 1 1 A 109 109 ALA N N 132 126.000 120.366 5.634 1 1 1333 . 18 1 1 A 110 110 ASN H H 133 8.860 8.944 -0.084 1 1 1334 . 18 1 1 A 110 110 ASN HA H 133 4.430 4.875 -0.445 1 1 1339 . 18 1 1 A 110 110 ASN C C 133 176.400 175.991 0.409 1 1 1340 . 18 1 1 A 110 110 ASN CA C 133 56.400 54.664 1.736 1 1 1341 . 18 1 1 A 110 110 ASN CB C 133 39.800 38.281 1.519 1 1 1343 . 18 1 1 A 110 110 ASN N N 133 117.600 116.101 1.499 1 1 1345 . 18 1 1 A 111 111 GLY H H 134 10.100 8.428 1.672 1 1 1346 . 18 1 1 A 111 111 GLY HA2 H 134 4.430 3.959 0.471 1 1 1347 . 18 1 1 A 111 111 GLY HA3 H 134 3.410 3.960 -0.550 1 1 1348 . 18 1 1 A 111 111 GLY C C 134 174.800 173.452 1.348 1 1 1349 . 18 1 1 A 111 111 GLY CA C 134 45.100 45.757 -0.657 1 1 1350 . 18 1 1 A 111 111 GLY N N 134 117.200 111.634 5.566 1 1 1351 . 18 1 1 A 112 112 ASP H H 135 8.640 7.793 0.847 1 1 1352 . 18 1 1 A 112 112 ASP HA H 135 4.430 5.362 -0.932 1 1 1355 . 18 1 1 A 112 112 ASP C C 135 174.700 174.345 0.355 1 1 1356 . 18 1 1 A 112 112 ASP CA C 135 56.200 53.308 2.892 1 1 1357 . 18 1 1 A 112 112 ASP CB C 135 42.100 43.190 -1.090 1 1 1358 . 18 1 1 A 112 112 ASP N N 135 122.900 120.443 2.457 1 1 1359 . 18 1 1 A 113 113 GLU H H 136 8.360 8.618 -0.258 1 1 1360 . 18 1 1 A 113 113 GLU HA H 136 5.220 5.116 0.104 1 1 1365 . 18 1 1 A 113 113 GLU C C 136 176.000 174.956 1.044 1 1 1366 . 18 1 1 A 113 113 GLU CA C 136 54.400 55.169 -0.769 1 1 1367 . 18 1 1 A 113 113 GLU CB C 136 32.900 33.208 -0.308 1 1 1369 . 18 1 1 A 113 113 GLU N N 136 119.000 122.795 -3.795 1 1 1370 . 18 1 1 A 114 114 VAL H H 137 9.800 8.717 1.083 1 1 1371 . 18 1 1 A 114 114 VAL HA H 137 5.160 4.976 0.184 1 1 1379 . 18 1 1 A 114 114 VAL C C 137 174.400 174.390 0.010 1 1 1380 . 18 1 1 A 114 114 VAL CA C 137 60.400 60.933 -0.533 1 1 1381 . 18 1 1 A 114 114 VAL CB C 137 34.300 34.931 -0.631 1 1 1384 . 18 1 1 A 114 114 VAL N N 137 129.000 126.010 2.990 1 1 1385 . 18 1 1 A 115 115 GLN H H 138 9.610 9.072 0.538 1 1 1386 . 18 1 1 A 115 115 GLN HA H 138 5.430 5.118 0.312 1 1 1393 . 18 1 1 A 115 115 GLN C C 138 174.800 174.406 0.394 1 1 1394 . 18 1 1 A 115 115 GLN CA C 138 54.500 54.124 0.376 1 1 1395 . 18 1 1 A 115 115 GLN CB C 138 30.700 32.175 -1.475 1 1 1398 . 18 1 1 A 115 115 GLN N N 138 129.300 127.794 1.506 1 1 1399 . 18 1 1 A 116 116 ILE H H 139 8.400 8.521 -0.121 1 1 1400 . 18 1 1 A 116 116 ILE HA H 139 4.020 4.236 -0.216 1 1 1410 . 18 1 1 A 116 116 ILE C C 139 174.500 176.202 -1.702 1 1 1411 . 18 1 1 A 116 116 ILE CA C 139 60.600 59.859 0.741 1 1 1412 . 18 1 1 A 116 116 ILE CB C 139 40.900 40.138 0.762 1 1 1416 . 18 1 1 A 116 116 ILE N N 139 128.300 126.904 1.396 1 1 1417 . 18 1 1 A 117 117 GLY H H 140 9.650 8.024 1.626 1 1 1418 . 18 1 1 A 117 117 GLY HA2 H 140 3.820 3.769 0.051 1 1 1419 . 18 1 1 A 117 117 GLY HA3 H 140 3.630 3.805 -0.175 1 1 1420 . 18 1 1 A 117 117 GLY C C 140 175.400 174.918 0.482 1 1 1421 . 18 1 1 A 117 117 GLY CA C 140 46.500 47.119 -0.619 1 1 1422 . 18 1 1 A 117 117 GLY N N 140 116.800 115.278 1.522 1 1 1423 . 18 1 1 A 118 118 LYS H H 141 7.960 8.531 -0.571 1 1 1424 . 18 1 1 A 118 118 LYS HA H 141 4.070 4.314 -0.244 1 1 1433 . 18 1 1 A 118 118 LYS C C 141 175.600 176.821 -1.221 1 1 1434 . 18 1 1 A 118 118 LYS CA C 141 56.700 57.552 -0.852 1 1 1435 . 18 1 1 A 118 118 LYS CB C 141 32.600 33.084 -0.484 1 1 1439 . 18 1 1 A 118 118 LYS N N 141 122.400 126.188 -3.788 1 1 1440 . 18 1 1 A 119 119 PHE H H 142 8.260 7.629 0.631 1 1 1441 . 18 1 1 A 119 119 PHE HA H 142 4.540 4.636 -0.096 1 1 1449 . 18 1 1 A 119 119 PHE C C 142 174.700 175.187 -0.487 1 1 1450 . 18 1 1 A 119 119 PHE CA C 142 58.200 58.337 -0.137 1 1 1451 . 18 1 1 A 119 119 PHE CB C 142 39.900 40.299 -0.399 1 1 1456 . 18 1 1 A 119 119 PHE N N 142 119.500 117.420 2.080 1 1 1457 . 18 1 1 A 120 120 ARG H H 143 8.690 8.897 -0.207 1 1 1458 . 18 1 1 A 120 120 ARG HA H 143 5.020 5.119 -0.099 1 1 1465 . 18 1 1 A 120 120 ARG C C 143 174.800 174.973 -0.173 1 1 1466 . 18 1 1 A 120 120 ARG CA C 143 55.100 54.681 0.419 1 1 1467 . 18 1 1 A 120 120 ARG CB C 143 32.800 33.548 -0.748 1 1 1470 . 18 1 1 A 120 120 ARG N N 143 121.500 122.521 -1.021 1 1 1471 . 18 1 1 A 121 121 LEU H H 144 9.760 9.134 0.626 1 1 1472 . 18 1 1 A 121 121 LEU HA H 144 5.420 5.336 0.084 1 1 1482 . 18 1 1 A 121 121 LEU C C 144 175.000 175.611 -0.611 1 1 1483 . 18 1 1 A 121 121 LEU CA C 144 53.900 53.435 0.465 1 1 1484 . 18 1 1 A 121 121 LEU CB C 144 44.900 46.003 -1.103 1 1 1488 . 18 1 1 A 121 121 LEU N N 144 126.400 127.197 -0.797 1 1 1489 . 18 1 1 A 122 122 VAL H H 145 9.370 8.979 0.391 1 1 1490 . 18 1 1 A 122 122 VAL HA H 145 5.010 5.089 -0.079 1 1 1498 . 18 1 1 A 122 122 VAL C C 145 173.700 173.300 0.400 1 1 1499 . 18 1 1 A 122 122 VAL CA C 145 60.800 59.368 1.432 1 1 1500 . 18 1 1 A 122 122 VAL CB C 145 34.300 34.847 -0.547 1 1 1503 . 18 1 1 A 122 122 VAL N N 145 121.900 120.642 1.258 1 1 1504 . 18 1 1 A 123 123 PHE H H 146 8.830 9.344 -0.514 1 1 1505 . 18 1 1 A 123 123 PHE HA H 146 4.980 4.827 0.153 1 1 1513 . 18 1 1 A 123 123 PHE C C 146 172.700 174.005 -1.305 1 1 1514 . 18 1 1 A 123 123 PHE CA C 146 57.100 56.353 0.747 1 1 1515 . 18 1 1 A 123 123 PHE CB C 146 41.100 39.561 1.539 1 1 1521 . 18 1 1 A 123 123 PHE N N 146 128.700 130.039 -1.339 1 1 1522 . 18 1 1 A 124 124 LEU H H 147 8.650 8.202 0.448 1 1 1523 . 18 1 1 A 124 124 LEU HA H 147 5.020 4.748 0.272 1 1 1533 . 18 1 1 A 124 124 LEU C C 147 175.300 176.175 -0.875 1 1 1534 . 18 1 1 A 124 124 LEU CA C 147 52.600 53.278 -0.678 1 1 1535 . 18 1 1 A 124 124 LEU CB C 147 45.600 45.624 -0.024 1 1 1539 . 18 1 1 A 124 124 LEU N N 147 128.000 128.753 -0.753 1 1 1540 . 18 1 1 A 125 125 THR H H 148 8.300 8.498 -0.198 1 1 1541 . 18 1 1 A 125 125 THR HA H 148 4.330 4.539 -0.209 1 1 1546 . 18 1 1 A 125 125 THR C C 148 173.900 176.706 -2.806 1 1 1547 . 18 1 1 A 125 125 THR CA C 148 60.200 60.255 -0.055 1 1 1548 . 18 1 1 A 125 125 THR CB C 148 70.300 71.280 -0.980 1 1 1550 . 18 1 1 A 125 125 THR N N 148 110.600 114.975 -4.375 1 1 1551 . 18 1 1 A 126 126 GLY H H 149 8.310 8.603 -0.293 1 1 1552 . 18 1 1 A 126 126 GLY HA2 H 149 3.840 3.855 -0.015 1 1 1553 . 18 1 1 A 126 126 GLY HA3 H 149 3.840 3.877 -0.037 1 1 1554 . 18 1 1 A 126 126 GLY CA C 149 45.200 45.666 -0.466 1 1 1555 . 18 1 1 A 126 126 GLY N N 149 109.800 109.896 -0.096 1 1 1556 . 18 1 1 A 127 127 HIS H H 150 8.310 7.751 0.559 1 1 1557 . 18 1 1 A 127 127 HIS HA H 150 4.630 4.769 -0.139 1 1 1562 . 18 1 1 A 127 127 HIS C C 150 174.800 174.709 0.091 1 1 1563 . 18 1 1 A 127 127 HIS CA C 150 55.900 55.017 0.883 1 1 1564 . 18 1 1 A 127 127 HIS CB C 150 30.700 30.349 0.351 1 1 1567 . 18 1 1 A 127 127 HIS N N 150 119.300 119.835 -0.535 1 1 1570 . 18 1 1 A 128 128 LYS H H 151 8.490 8.309 0.181 1 1 1571 . 18 1 1 A 128 128 LYS HA H 151 4.300 4.172 0.128 1 1 1580 . 18 1 1 A 128 128 LYS C C 151 176.200 176.262 -0.062 1 1 1581 . 18 1 1 A 128 128 LYS CA C 151 56.100 56.510 -0.410 1 1 1582 . 18 1 1 A 128 128 LYS CB C 151 33.200 34.732 -1.532 1 1 1586 . 18 1 1 A 128 128 LYS N N 151 123.800 121.938 1.862 1 1 1587 . 18 1 1 A 129 129 GLN H H 152 8.640 7.360 1.280 1 1 1588 . 18 1 1 A 129 129 GLN HA H 152 4.270 4.226 0.044 1 1 1595 . 18 1 1 A 129 129 GLN C C 152 176.500 175.756 0.744 1 1 1596 . 18 1 1 A 129 129 GLN CA C 152 56.400 55.877 0.523 1 1 1597 . 18 1 1 A 129 129 GLN CB C 152 29.500 29.853 -0.353 1 1 1600 . 18 1 1 A 129 129 GLN N N 152 122.900 120.165 2.735 1 1 1602 . 18 1 1 A 130 130 GLY H H 153 8.640 8.450 0.190 1 1 1603 . 18 1 1 A 130 130 GLY HA2 H 153 3.990 4.158 -0.168 1 1 1604 . 18 1 1 A 130 130 GLY HA3 H 153 3.910 4.160 -0.250 1 1 1605 . 18 1 1 A 130 130 GLY C C 153 174.100 174.334 -0.234 1 1 1606 . 18 1 1 A 130 130 GLY CA C 153 45.400 44.587 0.813 1 1 1607 . 18 1 1 A 130 130 GLY N N 153 111.100 108.456 2.644 1 1 1608 . 18 1 1 A 131 131 GLU H H 154 8.220 8.624 -0.404 1 1 1609 . 18 1 1 A 131 131 GLU HA H 154 4.260 3.834 0.426 1 1 1614 . 18 1 1 A 131 131 GLU C C 154 176.100 174.750 1.350 1 1 1615 . 18 1 1 A 131 131 GLU CA C 154 56.600 57.989 -1.389 1 1 1616 . 18 1 1 A 131 131 GLU CB C 154 30.600 27.771 2.829 1 1 1618 . 18 1 1 A 131 131 GLU N N 154 120.500 121.506 -1.006 1 1 1619 . 18 1 1 A 132 132 ASP H H 155 8.530 7.976 0.554 1 1 1620 . 18 1 1 A 132 132 ASP HA H 155 4.560 4.657 -0.097 1 1 1623 . 18 1 1 A 132 132 ASP C C 155 176.300 174.634 1.666 1 1 1624 . 18 1 1 A 132 132 ASP CA C 155 54.300 52.871 1.429 1 1 1625 . 18 1 1 A 132 132 ASP CB C 155 41.000 38.972 2.028 1 1 1626 . 18 1 1 A 132 132 ASP N N 155 121.300 120.045 1.255 1 1 1627 . 18 1 1 A 133 133 LEU H H 156 8.230 7.608 0.622 1 1 1628 . 18 1 1 A 133 133 LEU HA H 156 4.200 4.277 -0.077 1 1 1638 . 18 1 1 A 133 133 LEU C C 156 177.700 176.019 1.681 1 1 1639 . 18 1 1 A 133 133 LEU CA C 156 55.500 54.302 1.198 1 1 1640 . 18 1 1 A 133 133 LEU CB C 156 42.100 42.290 -0.190 1 1 1644 . 18 1 1 A 133 133 LEU N N 156 122.500 124.236 -1.736 1 1 1645 . 18 1 1 A 134 134 GLU H H 157 8.270 8.648 -0.378 1 1 1646 . 18 1 1 A 134 134 GLU HA H 157 4.100 4.718 -0.618 1 1 1651 . 18 1 1 A 134 134 GLU C C 157 177.300 175.058 2.242 1 1 1652 . 18 1 1 A 134 134 GLU CA C 157 56.900 55.217 1.683 1 1 1653 . 18 1 1 A 134 134 GLU CB C 157 30.000 30.917 -0.917 1 1 1655 . 18 1 1 A 134 134 GLU N N 157 119.800 124.888 -5.088 1 1 1656 . 18 1 1 A 135 135 HIS H H 158 8.150 9.293 -1.143 1 1 1657 . 18 1 1 A 135 135 HIS HA H 158 4.530 5.228 -0.698 1 1 1662 . 18 1 1 A 135 135 HIS CA C 158 56.100 53.954 2.146 1 1 1663 . 18 1 1 A 135 135 HIS CB C 158 30.000 31.732 -1.732 1 1 1664 . 18 1 1 A 135 135 HIS N N 158 118.500 125.241 -6.741 1 1 1665 . 18 1 1 A 139 139 HIS HA H 162 4.590 4.171 0.419 1 1 1668 . 18 1 1 A 139 139 HIS C C 162 173.900 173.922 -0.022 1 1 1669 . 18 1 1 A 139 139 HIS CA C 162 55.900 58.373 -2.473 1 1 1670 . 18 1 1 A 139 139 HIS CB C 162 30.100 28.280 1.820 1 1 15 . 19 1 1 A 2 2 PHE H H 25 8.640 8.686 -0.046 1 1 16 . 19 1 1 A 2 2 PHE HA H 25 4.630 4.715 -0.085 1 1 24 . 19 1 1 A 2 2 PHE C C 25 175.000 175.746 -0.746 1 1 25 . 19 1 1 A 2 2 PHE CA C 25 58.000 58.210 -0.210 1 1 26 . 19 1 1 A 2 2 PHE CB C 25 39.700 39.576 0.124 1 1 31 . 19 1 1 A 3 3 ARG H H 26 8.210 8.466 -0.256 1 1 32 . 19 1 1 A 3 3 ARG HA H 26 4.200 4.531 -0.331 1 1 40 . 19 1 1 A 3 3 ARG C C 26 175.100 175.384 -0.284 1 1 41 . 19 1 1 A 3 3 ARG CA C 26 55.600 56.224 -0.624 1 1 42 . 19 1 1 A 3 3 ARG CB C 26 31.300 30.747 0.553 1 1 45 . 19 1 1 A 3 3 ARG N N 26 125.000 121.521 3.479 1 1 47 . 19 1 1 A 4 4 ALA H H 27 8.260 8.002 0.258 1 1 48 . 19 1 1 A 4 4 ALA HA H 27 4.090 4.227 -0.137 1 1 52 . 19 1 1 A 4 4 ALA C C 27 177.300 176.097 1.203 1 1 53 . 19 1 1 A 4 4 ALA CA C 27 52.800 51.666 1.134 1 1 54 . 19 1 1 A 4 4 ALA CB C 27 19.200 21.489 -2.289 1 1 55 . 19 1 1 A 4 4 ALA N N 27 125.400 120.718 4.682 1 1 56 . 19 1 1 A 5 5 ASP H H 28 8.260 9.177 -0.917 1 1 57 . 19 1 1 A 5 5 ASP HA H 28 4.470 4.369 0.101 1 1 60 . 19 1 1 A 5 5 ASP C C 28 176.200 175.798 0.402 1 1 61 . 19 1 1 A 5 5 ASP CA C 28 54.500 55.349 -0.849 1 1 62 . 19 1 1 A 5 5 ASP CB C 28 40.700 40.791 -0.091 1 1 63 . 19 1 1 A 5 5 ASP N N 28 118.200 121.596 -3.396 1 1 64 . 19 1 1 A 6 6 PHE H H 29 7.930 7.346 0.584 1 1 65 . 19 1 1 A 6 6 PHE HA H 29 4.510 4.708 -0.198 1 1 73 . 19 1 1 A 6 6 PHE C C 29 175.700 176.144 -0.444 1 1 74 . 19 1 1 A 6 6 PHE CA C 29 58.000 57.532 0.468 1 1 75 . 19 1 1 A 6 6 PHE CB C 29 39.300 41.070 -1.770 1 1 81 . 19 1 1 A 6 6 PHE N N 29 119.400 114.159 5.241 1 1 82 . 19 1 1 A 7 7 LEU H H 30 8.000 6.869 1.131 1 1 83 . 19 1 1 A 7 7 LEU HA H 30 4.210 3.649 0.561 1 1 93 . 19 1 1 A 7 7 LEU C C 30 177.400 176.787 0.613 1 1 94 . 19 1 1 A 7 7 LEU CA C 30 55.400 55.607 -0.207 1 1 95 . 19 1 1 A 7 7 LEU CB C 30 42.200 40.654 1.546 1 1 99 . 19 1 1 A 7 7 LEU N N 30 122.100 116.924 5.176 1 1 100 . 19 1 1 A 8 8 SER H H 31 8.130 8.755 -0.625 1 1 101 . 19 1 1 A 8 8 SER HA H 31 4.330 4.308 0.022 1 1 104 . 19 1 1 A 8 8 SER C C 31 174.900 174.971 -0.071 1 1 105 . 19 1 1 A 8 8 SER CA C 31 58.800 59.124 -0.324 1 1 106 . 19 1 1 A 8 8 SER CB C 31 63.800 61.481 2.319 1 1 107 . 19 1 1 A 8 8 SER N N 31 116.000 119.389 -3.389 1 1 108 . 19 1 1 A 9 9 GLU H H 32 8.380 8.323 0.057 1 1 109 . 19 1 1 A 9 9 GLU HA H 32 4.240 4.113 0.127 1 1 114 . 19 1 1 A 9 9 GLU C C 32 176.600 177.009 -0.409 1 1 115 . 19 1 1 A 9 9 GLU CA C 32 57.000 58.647 -1.647 1 1 116 . 19 1 1 A 9 9 GLU CB C 32 30.000 29.723 0.277 1 1 118 . 19 1 1 A 9 9 GLU N N 32 122.200 125.910 -3.710 1 1 119 . 19 1 1 A 10 10 LEU H H 33 7.990 7.292 0.698 1 1 120 . 19 1 1 A 10 10 LEU HA H 33 4.220 4.623 -0.403 1 1 130 . 19 1 1 A 10 10 LEU C C 33 177.100 175.969 1.131 1 1 131 . 19 1 1 A 10 10 LEU CA C 33 55.500 54.164 1.336 1 1 132 . 19 1 1 A 10 10 LEU CB C 33 42.200 43.280 -1.080 1 1 136 . 19 1 1 A 10 10 LEU N N 33 121.200 120.347 0.853 1 1 137 . 19 1 1 A 11 11 ASP H H 34 8.090 8.648 -0.558 1 1 138 . 19 1 1 A 11 11 ASP HA H 34 4.550 4.617 -0.067 1 1 141 . 19 1 1 A 11 11 ASP C C 34 175.400 175.890 -0.490 1 1 142 . 19 1 1 A 11 11 ASP CA C 34 54.200 54.753 -0.553 1 1 143 . 19 1 1 A 11 11 ASP CB C 34 41.300 40.966 0.334 1 1 144 . 19 1 1 A 11 11 ASP N N 34 120.000 126.621 -6.621 1 1 145 . 19 1 1 A 12 12 ALA H H 35 7.950 8.726 -0.776 1 1 146 . 19 1 1 A 12 12 ALA HA H 35 4.510 4.799 -0.289 1 1 150 . 19 1 1 A 12 12 ALA CA C 35 50.800 50.148 0.652 1 1 151 . 19 1 1 A 12 12 ALA CB C 35 18.300 19.071 -0.771 1 1 152 . 19 1 1 A 12 12 ALA N N 35 124.600 123.812 0.788 1 1 153 . 19 1 1 A 13 13 PRO HA H 36 4.360 4.543 -0.183 1 1 160 . 19 1 1 A 13 13 PRO C C 36 176.900 176.908 -0.008 1 1 161 . 19 1 1 A 13 13 PRO CA C 36 63.200 63.612 -0.412 1 1 162 . 19 1 1 A 13 13 PRO CB C 36 32.000 32.178 -0.178 1 1 165 . 19 1 1 A 14 14 ALA H H 37 8.390 8.541 -0.151 1 1 166 . 19 1 1 A 14 14 ALA HA H 37 4.230 3.845 0.385 1 1 170 . 19 1 1 A 14 14 ALA C C 37 177.900 176.587 1.313 1 1 171 . 19 1 1 A 14 14 ALA CA C 37 52.600 54.298 -1.698 1 1 172 . 19 1 1 A 14 14 ALA CB C 37 19.300 18.058 1.242 1 1 173 . 19 1 1 A 14 14 ALA N N 37 123.900 120.794 3.106 1 1 174 . 19 1 1 A 15 15 GLN H H 38 8.330 8.498 -0.168 1 1 175 . 19 1 1 A 15 15 GLN HA H 38 4.280 4.398 -0.118 1 1 182 . 19 1 1 A 15 15 GLN C C 38 175.800 176.749 -0.949 1 1 183 . 19 1 1 A 15 15 GLN CA C 38 55.700 55.331 0.369 1 1 184 . 19 1 1 A 15 15 GLN CB C 38 29.600 29.553 0.047 1 1 187 . 19 1 1 A 15 15 GLN N N 38 119.300 118.506 0.794 1 1 189 . 19 1 1 A 16 16 ALA H H 39 8.410 8.496 -0.086 1 1 190 . 19 1 1 A 16 16 ALA HA H 39 4.070 4.202 -0.132 1 1 194 . 19 1 1 A 16 16 ALA C C 39 178.200 177.213 0.987 1 1 195 . 19 1 1 A 16 16 ALA CA C 39 52.800 52.851 -0.051 1 1 196 . 19 1 1 A 16 16 ALA CB C 39 19.300 19.501 -0.201 1 1 197 . 19 1 1 A 16 16 ALA N N 39 125.600 124.214 1.386 1 1 198 . 19 1 1 A 17 17 GLY H H 40 8.510 7.379 1.131 1 1 199 . 19 1 1 A 17 17 GLY HA2 H 40 4.010 4.059 -0.049 1 1 200 . 19 1 1 A 17 17 GLY HA3 H 40 4.010 4.060 -0.050 1 1 201 . 19 1 1 A 17 17 GLY C C 40 174.600 171.743 2.857 1 1 202 . 19 1 1 A 17 17 GLY CA C 40 45.400 46.051 -0.651 1 1 203 . 19 1 1 A 17 17 GLY N N 40 108.500 104.529 3.971 1 1 204 . 19 1 1 A 18 18 THR H H 41 8.020 8.502 -0.482 1 1 205 . 19 1 1 A 18 18 THR HA H 41 4.320 4.185 0.135 1 1 210 . 19 1 1 A 18 18 THR C C 41 174.900 176.326 -1.426 1 1 211 . 19 1 1 A 18 18 THR CA C 41 62.100 63.369 -1.269 1 1 212 . 19 1 1 A 18 18 THR CB C 41 69.900 69.349 0.551 1 1 214 . 19 1 1 A 18 18 THR N N 41 112.900 116.401 -3.501 1 1 215 . 19 1 1 A 19 19 GLU H H 42 8.630 8.895 -0.265 1 1 216 . 19 1 1 A 19 19 GLU HA H 42 4.300 4.342 -0.042 1 1 221 . 19 1 1 A 19 19 GLU C C 42 176.600 176.820 -0.220 1 1 222 . 19 1 1 A 19 19 GLU CA C 42 56.900 56.572 0.328 1 1 223 . 19 1 1 A 19 19 GLU CB C 42 30.000 30.285 -0.285 1 1 225 . 19 1 1 A 19 19 GLU N N 42 123.000 122.966 0.034 1 1 226 . 19 1 1 A 20 20 SER H H 43 8.330 7.762 0.568 1 1 227 . 19 1 1 A 20 20 SER HA H 43 4.400 4.323 0.077 1 1 230 . 19 1 1 A 20 20 SER C C 43 174.300 174.318 -0.018 1 1 231 . 19 1 1 A 20 20 SER CA C 43 58.500 59.708 -1.208 1 1 232 . 19 1 1 A 20 20 SER CB C 43 63.900 63.734 0.166 1 1 233 . 19 1 1 A 20 20 SER N N 43 116.600 117.173 -0.573 1 1 234 . 19 1 1 A 21 21 ALA H H 44 8.320 8.703 -0.383 1 1 235 . 19 1 1 A 21 21 ALA HA H 44 4.300 4.544 -0.244 1 1 239 . 19 1 1 A 21 21 ALA C C 44 177.700 178.236 -0.536 1 1 240 . 19 1 1 A 21 21 ALA CA C 44 52.700 53.198 -0.498 1 1 241 . 19 1 1 A 21 21 ALA CB C 44 19.300 21.279 -1.979 1 1 242 . 19 1 1 A 21 21 ALA N N 44 126.000 124.824 1.176 1 1 243 . 19 1 1 A 22 22 VAL H H 45 8.040 7.947 0.093 1 1 244 . 19 1 1 A 22 22 VAL HA H 45 4.100 3.751 0.349 1 1 252 . 19 1 1 A 22 22 VAL C C 45 176.100 176.368 -0.268 1 1 253 . 19 1 1 A 22 22 VAL CA C 45 62.300 65.832 -3.532 1 1 254 . 19 1 1 A 22 22 VAL CB C 45 32.700 31.751 0.949 1 1 257 . 19 1 1 A 22 22 VAL N N 45 118.100 117.481 0.619 1 1 258 . 19 1 1 A 23 23 SER H H 46 8.370 7.654 0.716 1 1 259 . 19 1 1 A 23 23 SER HA H 46 4.410 4.528 -0.118 1 1 262 . 19 1 1 A 23 23 SER C C 46 174.900 174.376 0.524 1 1 263 . 19 1 1 A 23 23 SER CA C 46 58.500 57.879 0.621 1 1 264 . 19 1 1 A 23 23 SER CB C 46 63.900 64.913 -1.013 1 1 265 . 19 1 1 A 23 23 SER N N 46 119.100 114.267 4.833 1 1 266 . 19 1 1 A 24 24 GLY H H 47 8.370 8.289 0.081 1 1 267 . 19 1 1 A 24 24 GLY HA2 H 47 3.950 4.189 -0.239 1 1 268 . 19 1 1 A 24 24 GLY HA3 H 47 3.950 4.191 -0.241 1 1 269 . 19 1 1 A 24 24 GLY C C 47 174.200 174.075 0.125 1 1 270 . 19 1 1 A 24 24 GLY CA C 47 45.400 46.017 -0.617 1 1 271 . 19 1 1 A 24 24 GLY N N 47 110.500 108.364 2.136 1 1 272 . 19 1 1 A 25 25 VAL H H 48 7.980 8.682 -0.702 1 1 273 . 19 1 1 A 25 25 VAL HA H 48 4.040 4.052 -0.012 1 1 281 . 19 1 1 A 25 25 VAL C C 48 176.100 175.791 0.309 1 1 282 . 19 1 1 A 25 25 VAL CA C 48 62.200 63.962 -1.762 1 1 283 . 19 1 1 A 25 25 VAL CB C 48 32.500 31.942 0.558 1 1 286 . 19 1 1 A 25 25 VAL N N 48 118.100 116.855 1.245 1 1 287 . 19 1 1 A 26 26 GLU H H 49 8.580 7.901 0.679 1 1 288 . 19 1 1 A 26 26 GLU HA H 49 4.160 4.262 -0.102 1 1 293 . 19 1 1 A 26 26 GLU C C 49 176.900 176.251 0.649 1 1 294 . 19 1 1 A 26 26 GLU CA C 49 57.400 56.894 0.506 1 1 295 . 19 1 1 A 26 26 GLU CB C 49 29.800 30.480 -0.680 1 1 297 . 19 1 1 A 26 26 GLU N N 49 123.900 122.961 0.939 1 1 298 . 19 1 1 A 27 27 GLY H H 50 8.330 8.834 -0.504 1 1 299 . 19 1 1 A 27 27 GLY HA2 H 50 3.890 4.000 -0.110 1 1 300 . 19 1 1 A 27 27 GLY HA3 H 50 3.830 4.003 -0.173 1 1 301 . 19 1 1 A 27 27 GLY C C 50 173.800 173.526 0.274 1 1 302 . 19 1 1 A 27 27 GLY CA C 50 45.200 44.894 0.306 1 1 303 . 19 1 1 A 27 27 GLY N N 50 109.500 115.895 -6.395 1 1 304 . 19 1 1 A 28 28 LEU H H 51 7.770 8.281 -0.511 1 1 305 . 19 1 1 A 28 28 LEU HA H 51 4.470 4.815 -0.345 1 1 315 . 19 1 1 A 28 28 LEU CA C 51 52.800 51.792 1.008 1 1 316 . 19 1 1 A 28 28 LEU CB C 51 42.200 42.195 0.005 1 1 320 . 19 1 1 A 28 28 LEU N N 51 123.000 118.781 4.219 1 1 321 . 19 1 1 A 29 29 PRO HA H 52 4.660 4.324 0.336 1 1 328 . 19 1 1 A 29 29 PRO CA C 52 61.600 65.143 -3.543 1 1 329 . 19 1 1 A 29 29 PRO CB C 52 30.800 31.720 -0.920 1 1 332 . 19 1 1 A 30 30 PRO HA H 53 4.340 4.490 -0.150 1 1 339 . 19 1 1 A 30 30 PRO C C 53 177.500 176.685 0.815 1 1 340 . 19 1 1 A 30 30 PRO CA C 53 63.500 62.946 0.554 1 1 341 . 19 1 1 A 30 30 PRO CB C 53 32.000 31.867 0.133 1 1 344 . 19 1 1 A 31 31 GLY H H 54 8.690 8.374 0.316 1 1 345 . 19 1 1 A 31 31 GLY HA2 H 54 4.060 3.876 0.184 1 1 346 . 19 1 1 A 31 31 GLY HA3 H 54 3.660 3.880 -0.220 1 1 347 . 19 1 1 A 31 31 GLY C C 54 172.900 173.636 -0.736 1 1 348 . 19 1 1 A 31 31 GLY CA C 54 45.400 46.684 -1.284 1 1 349 . 19 1 1 A 31 31 GLY N N 54 110.100 109.765 0.335 1 1 350 . 19 1 1 A 32 32 LEU H H 55 7.510 8.935 -1.425 1 1 351 . 19 1 1 A 32 32 LEU HA H 55 4.960 5.209 -0.249 1 1 361 . 19 1 1 A 32 32 LEU C C 55 175.400 175.358 0.042 1 1 362 . 19 1 1 A 32 32 LEU CA C 55 54.100 53.338 0.762 1 1 363 . 19 1 1 A 32 32 LEU CB C 55 44.400 46.151 -1.751 1 1 367 . 19 1 1 A 32 32 LEU N N 55 119.300 125.566 -6.266 1 1 368 . 19 1 1 A 33 33 ALA H H 56 7.840 8.557 -0.717 1 1 369 . 19 1 1 A 33 33 ALA HA H 56 4.500 4.769 -0.269 1 1 373 . 19 1 1 A 33 33 ALA C C 56 178.200 175.154 3.046 1 1 374 . 19 1 1 A 33 33 ALA CA C 56 51.100 50.956 0.144 1 1 375 . 19 1 1 A 33 33 ALA CB C 56 23.900 23.723 0.177 1 1 376 . 19 1 1 A 33 33 ALA N N 56 121.800 122.161 -0.361 1 1 377 . 19 1 1 A 34 34 LEU H H 57 8.640 8.079 0.561 1 1 378 . 19 1 1 A 34 34 LEU HA H 57 4.930 5.077 -0.147 1 1 388 . 19 1 1 A 34 34 LEU C C 57 174.400 175.817 -1.417 1 1 389 . 19 1 1 A 34 34 LEU CA C 57 53.400 53.603 -0.203 1 1 390 . 19 1 1 A 34 34 LEU CB C 57 47.300 45.436 1.864 1 1 394 . 19 1 1 A 34 34 LEU N N 57 119.200 119.531 -0.331 1 1 395 . 19 1 1 A 35 35 LEU H H 58 8.640 8.519 0.121 1 1 396 . 19 1 1 A 35 35 LEU HA H 58 5.440 5.290 0.150 1 1 406 . 19 1 1 A 35 35 LEU C C 58 176.200 175.832 0.368 1 1 407 . 19 1 1 A 35 35 LEU CA C 58 52.600 53.356 -0.756 1 1 408 . 19 1 1 A 35 35 LEU CB C 58 46.000 44.464 1.536 1 1 412 . 19 1 1 A 35 35 LEU N N 58 119.400 121.965 -2.565 1 1 413 . 19 1 1 A 36 36 VAL H H 59 8.960 8.994 -0.034 1 1 414 . 19 1 1 A 36 36 VAL HA H 59 4.860 4.777 0.083 1 1 422 . 19 1 1 A 36 36 VAL C C 59 176.400 175.542 0.858 1 1 423 . 19 1 1 A 36 36 VAL CA C 59 59.900 60.021 -0.121 1 1 424 . 19 1 1 A 36 36 VAL CB C 59 34.600 34.609 -0.009 1 1 427 . 19 1 1 A 36 36 VAL N N 59 120.700 123.212 -2.512 1 1 428 . 19 1 1 A 37 37 VAL H H 60 8.830 8.633 0.197 1 1 429 . 19 1 1 A 37 37 VAL HA H 60 4.170 4.016 0.154 1 1 437 . 19 1 1 A 37 37 VAL C C 60 176.000 176.265 -0.265 1 1 438 . 19 1 1 A 37 37 VAL CA C 60 63.900 63.122 0.778 1 1 439 . 19 1 1 A 37 37 VAL CB C 60 31.400 30.988 0.412 1 1 442 . 19 1 1 A 37 37 VAL N N 60 125.700 126.851 -1.151 1 1 443 . 19 1 1 A 38 38 LYS H H 61 9.400 8.735 0.665 1 1 444 . 19 1 1 A 38 38 LYS HA H 61 4.450 4.141 0.309 1 1 453 . 19 1 1 A 38 38 LYS C C 61 176.000 175.699 0.301 1 1 454 . 19 1 1 A 38 38 LYS CA C 61 56.900 58.181 -1.281 1 1 455 . 19 1 1 A 38 38 LYS CB C 61 34.200 33.261 0.939 1 1 459 . 19 1 1 A 38 38 LYS N N 61 131.900 129.638 2.262 1 1 460 . 19 1 1 A 39 39 ARG H H 62 7.990 7.522 0.468 1 1 461 . 19 1 1 A 39 39 ARG HA H 62 4.700 5.004 -0.304 1 1 469 . 19 1 1 A 39 39 ARG C C 62 173.600 174.908 -1.308 1 1 470 . 19 1 1 A 39 39 ARG CA C 62 55.100 54.974 0.126 1 1 471 . 19 1 1 A 39 39 ARG CB C 62 34.100 34.103 -0.003 1 1 474 . 19 1 1 A 39 39 ARG N N 62 117.300 118.856 -1.556 1 1 476 . 19 1 1 A 40 40 GLY H H 63 8.480 8.443 0.037 1 1 477 . 19 1 1 A 40 40 GLY HA2 H 63 4.290 4.373 -0.083 1 1 478 . 19 1 1 A 40 40 GLY HA3 H 63 3.580 4.418 -0.838 1 1 479 . 19 1 1 A 40 40 GLY CA C 63 43.800 44.950 -1.150 1 1 480 . 19 1 1 A 40 40 GLY N N 63 110.800 112.290 -1.490 1 1 481 . 19 1 1 A 41 41 PRO HA H 64 4.300 4.328 -0.028 1 1 488 . 19 1 1 A 41 41 PRO C C 64 175.900 178.641 -2.741 1 1 489 . 19 1 1 A 41 41 PRO CA C 64 64.400 65.124 -0.724 1 1 490 . 19 1 1 A 41 41 PRO CB C 64 31.500 32.013 -0.513 1 1 493 . 19 1 1 A 42 42 ASN H H 65 8.310 8.200 0.110 1 1 494 . 19 1 1 A 42 42 ASN HA H 65 4.770 4.480 0.290 1 1 499 . 19 1 1 A 42 42 ASN C C 65 177.500 175.145 2.355 1 1 500 . 19 1 1 A 42 42 ASN CA C 65 52.100 56.517 -4.417 1 1 501 . 19 1 1 A 42 42 ASN CB C 65 36.700 38.471 -1.771 1 1 503 . 19 1 1 A 42 42 ASN N N 65 114.500 115.750 -1.250 1 1 505 . 19 1 1 A 43 43 ALA H H 66 7.470 8.065 -0.595 1 1 506 . 19 1 1 A 43 43 ALA HA H 66 3.690 3.959 -0.269 1 1 510 . 19 1 1 A 43 43 ALA C C 66 177.800 176.875 0.925 1 1 511 . 19 1 1 A 43 43 ALA CA C 66 54.200 53.114 1.086 1 1 512 . 19 1 1 A 43 43 ALA CB C 66 17.700 17.695 0.005 1 1 513 . 19 1 1 A 43 43 ALA N N 66 122.100 120.401 1.699 1 1 514 . 19 1 1 A 44 44 GLY H H 67 9.120 8.494 0.626 1 1 515 . 19 1 1 A 44 44 GLY HA2 H 67 4.440 3.996 0.444 1 1 516 . 19 1 1 A 44 44 GLY HA3 H 67 3.490 4.007 -0.517 1 1 517 . 19 1 1 A 44 44 GLY C C 67 174.900 174.575 0.325 1 1 518 . 19 1 1 A 44 44 GLY CA C 67 44.600 45.143 -0.543 1 1 519 . 19 1 1 A 44 44 GLY N N 67 111.800 111.264 0.536 1 1 520 . 19 1 1 A 45 45 SER H H 68 8.090 7.942 0.148 1 1 521 . 19 1 1 A 45 45 SER HA H 68 4.280 4.326 -0.046 1 1 524 . 19 1 1 A 45 45 SER C C 68 171.500 173.654 -2.154 1 1 525 . 19 1 1 A 45 45 SER CA C 68 60.500 58.530 1.970 1 1 526 . 19 1 1 A 45 45 SER CB C 68 63.800 64.700 -0.900 1 1 527 . 19 1 1 A 45 45 SER N N 68 117.400 115.661 1.739 1 1 528 . 19 1 1 A 46 46 ARG H H 69 8.120 8.516 -0.396 1 1 529 . 19 1 1 A 46 46 ARG HA H 69 5.140 5.155 -0.015 1 1 537 . 19 1 1 A 46 46 ARG C C 69 174.600 173.190 1.410 1 1 538 . 19 1 1 A 46 46 ARG CA C 69 54.200 54.122 0.078 1 1 539 . 19 1 1 A 46 46 ARG CB C 69 33.900 34.360 -0.460 1 1 542 . 19 1 1 A 46 46 ARG N N 69 119.800 118.598 1.202 1 1 544 . 19 1 1 A 47 47 PHE H H 70 9.180 8.461 0.719 1 1 545 . 19 1 1 A 47 47 PHE HA H 70 4.720 5.003 -0.283 1 1 553 . 19 1 1 A 47 47 PHE C C 70 173.900 174.146 -0.246 1 1 554 . 19 1 1 A 47 47 PHE CA C 70 56.400 56.723 -0.323 1 1 555 . 19 1 1 A 47 47 PHE CB C 70 41.500 42.628 -1.128 1 1 561 . 19 1 1 A 47 47 PHE N N 70 120.800 116.544 4.256 1 1 562 . 19 1 1 A 48 48 LEU H H 71 8.720 8.997 -0.277 1 1 563 . 19 1 1 A 48 48 LEU HA H 71 4.450 4.947 -0.497 1 1 573 . 19 1 1 A 48 48 LEU C C 71 176.300 174.907 1.393 1 1 574 . 19 1 1 A 48 48 LEU CA C 71 54.900 53.862 1.038 1 1 575 . 19 1 1 A 48 48 LEU CB C 71 43.200 44.451 -1.251 1 1 579 . 19 1 1 A 48 48 LEU N N 71 125.300 124.441 0.859 1 1 580 . 19 1 1 A 49 49 LEU H H 72 8.730 8.624 0.106 1 1 581 . 19 1 1 A 49 49 LEU HA H 72 4.770 4.516 0.254 1 1 591 . 19 1 1 A 49 49 LEU C C 72 174.800 176.927 -2.127 1 1 592 . 19 1 1 A 49 49 LEU CA C 72 53.200 54.051 -0.851 1 1 593 . 19 1 1 A 49 49 LEU CB C 72 40.900 41.234 -0.334 1 1 597 . 19 1 1 A 49 49 LEU N N 72 126.900 127.899 -0.999 1 1 598 . 19 1 1 A 50 50 ASP H H 73 8.350 8.344 0.006 1 1 599 . 19 1 1 A 50 50 ASP HA H 73 4.790 5.088 -0.298 1 1 602 . 19 1 1 A 50 50 ASP C C 73 175.600 175.268 0.332 1 1 603 . 19 1 1 A 50 50 ASP CA C 73 53.000 53.445 -0.445 1 1 604 . 19 1 1 A 50 50 ASP CB C 73 41.400 41.794 -0.394 1 1 605 . 19 1 1 A 50 50 ASP N N 73 120.400 118.388 2.012 1 1 606 . 19 1 1 A 51 51 GLN H H 74 7.670 7.623 0.047 1 1 607 . 19 1 1 A 51 51 GLN HA H 74 4.660 5.075 -0.415 1 1 614 . 19 1 1 A 51 51 GLN C C 74 175.400 174.886 0.514 1 1 615 . 19 1 1 A 51 51 GLN CA C 74 53.700 54.104 -0.404 1 1 616 . 19 1 1 A 51 51 GLN CB C 74 31.300 32.390 -1.090 1 1 619 . 19 1 1 A 51 51 GLN N N 74 116.200 120.454 -4.254 1 1 621 . 19 1 1 A 52 52 ALA H H 75 8.720 8.607 0.113 1 1 622 . 19 1 1 A 52 52 ALA HA H 75 4.170 4.188 -0.018 1 1 626 . 19 1 1 A 52 52 ALA C C 75 178.300 178.049 0.251 1 1 627 . 19 1 1 A 52 52 ALA CA C 75 55.700 52.960 2.740 1 1 628 . 19 1 1 A 52 52 ALA CB C 75 18.500 18.923 -0.423 1 1 629 . 19 1 1 A 52 52 ALA N N 75 123.200 127.107 -3.907 1 1 630 . 19 1 1 A 53 53 ILE H H 76 8.030 8.677 -0.647 1 1 631 . 19 1 1 A 53 53 ILE HA H 76 4.650 4.021 0.629 1 1 641 . 19 1 1 A 53 53 ILE C C 76 175.100 175.104 -0.004 1 1 642 . 19 1 1 A 53 53 ILE CA C 76 61.100 61.609 -0.509 1 1 643 . 19 1 1 A 53 53 ILE CB C 76 40.500 37.006 3.494 1 1 647 . 19 1 1 A 53 53 ILE N N 76 115.400 119.281 -3.881 1 1 648 . 19 1 1 A 54 54 THR H H 77 8.840 8.565 0.275 1 1 649 . 19 1 1 A 54 54 THR HA H 77 4.940 4.763 0.177 1 1 654 . 19 1 1 A 54 54 THR C C 77 174.600 174.295 0.305 1 1 655 . 19 1 1 A 54 54 THR CA C 77 61.400 61.798 -0.398 1 1 656 . 19 1 1 A 54 54 THR CB C 77 70.300 69.933 0.367 1 1 658 . 19 1 1 A 54 54 THR N N 77 125.300 121.156 4.144 1 1 659 . 19 1 1 A 55 55 SER H H 78 10.690 8.927 1.763 1 1 660 . 19 1 1 A 55 55 SER HA H 78 4.720 4.833 -0.113 1 1 663 . 19 1 1 A 55 55 SER C C 78 172.600 173.946 -1.346 1 1 664 . 19 1 1 A 55 55 SER CA C 78 57.800 58.066 -0.266 1 1 665 . 19 1 1 A 55 55 SER CB C 78 65.200 64.278 0.922 1 1 666 . 19 1 1 A 55 55 SER N N 78 126.300 123.325 2.975 1 1 667 . 19 1 1 A 56 56 ALA H H 79 8.840 8.110 0.730 1 1 668 . 19 1 1 A 56 56 ALA HA H 79 5.720 4.729 0.991 1 1 672 . 19 1 1 A 56 56 ALA C C 79 175.800 178.230 -2.430 1 1 673 . 19 1 1 A 56 56 ALA CA C 79 49.800 51.003 -1.203 1 1 674 . 19 1 1 A 56 56 ALA CB C 79 21.900 21.218 0.682 1 1 675 . 19 1 1 A 56 56 ALA N N 79 123.200 125.648 -2.448 1 1 676 . 19 1 1 A 57 57 GLY H H 80 8.410 8.575 -0.165 1 1 677 . 19 1 1 A 57 57 GLY HA2 H 80 4.400 3.849 0.551 1 1 678 . 19 1 1 A 57 57 GLY HA3 H 80 3.970 3.937 0.033 1 1 679 . 19 1 1 A 57 57 GLY C C 80 174.800 174.339 0.461 1 1 680 . 19 1 1 A 57 57 GLY CA C 80 46.300 46.544 -0.244 1 1 681 . 19 1 1 A 57 57 GLY N N 80 108.700 108.552 0.148 1 1 682 . 19 1 1 A 58 58 ARG H H 81 8.330 7.937 0.393 1 1 683 . 19 1 1 A 58 58 ARG HA H 81 4.440 4.539 -0.099 1 1 690 . 19 1 1 A 58 58 ARG C C 81 176.400 176.606 -0.206 1 1 691 . 19 1 1 A 58 58 ARG CA C 81 54.700 56.184 -1.484 1 1 692 . 19 1 1 A 58 58 ARG CB C 81 32.300 31.326 0.974 1 1 695 . 19 1 1 A 58 58 ARG N N 81 120.400 121.452 -1.052 1 1 696 . 19 1 1 A 59 59 HIS H H 82 9.040 8.841 0.199 1 1 697 . 19 1 1 A 59 59 HIS HA H 82 4.280 4.569 -0.289 1 1 702 . 19 1 1 A 59 59 HIS CA C 82 56.800 60.087 -3.287 1 1 703 . 19 1 1 A 59 59 HIS CB C 82 30.900 29.387 1.513 1 1 705 . 19 1 1 A 59 59 HIS N N 82 124.300 121.433 2.867 1 1 708 . 19 1 1 A 60 60 PRO HA H 83 3.640 3.680 -0.040 1 1 715 . 19 1 1 A 60 60 PRO C C 83 177.000 176.421 0.579 1 1 716 . 19 1 1 A 60 60 PRO CA C 83 64.800 64.018 0.782 1 1 717 . 19 1 1 A 60 60 PRO CB C 83 31.700 32.326 -0.626 1 1 720 . 19 1 1 A 61 61 ASP H H 84 11.140 8.631 2.509 1 1 721 . 19 1 1 A 61 61 ASP HA H 84 4.700 4.115 0.585 1 1 724 . 19 1 1 A 61 61 ASP C C 84 177.400 174.477 2.923 1 1 725 . 19 1 1 A 61 61 ASP CA C 84 53.900 54.785 -0.885 1 1 726 . 19 1 1 A 61 61 ASP CB C 84 40.500 40.026 0.474 1 1 727 . 19 1 1 A 61 61 ASP N N 84 121.600 117.696 3.904 1 1 728 . 19 1 1 A 62 62 SER H H 85 8.190 7.442 0.748 1 1 729 . 19 1 1 A 62 62 SER HA H 85 4.030 4.681 -0.651 1 1 733 . 19 1 1 A 62 62 SER C C 85 173.400 174.051 -0.651 1 1 734 . 19 1 1 A 62 62 SER CA C 85 60.400 57.106 3.294 1 1 735 . 19 1 1 A 62 62 SER CB C 85 65.200 65.014 0.186 1 1 736 . 19 1 1 A 62 62 SER N N 85 118.100 112.646 5.454 1 1 737 . 19 1 1 A 63 63 ASP H H 86 8.270 8.705 -0.435 1 1 738 . 19 1 1 A 63 63 ASP HA H 86 4.390 4.547 -0.157 1 1 741 . 19 1 1 A 63 63 ASP C C 86 177.200 177.157 0.043 1 1 742 . 19 1 1 A 63 63 ASP CA C 86 58.300 57.574 0.726 1 1 743 . 19 1 1 A 63 63 ASP CB C 86 42.100 41.153 0.947 1 1 744 . 19 1 1 A 63 63 ASP N N 86 125.600 125.487 0.113 1 1 745 . 19 1 1 A 64 64 ILE H H 87 8.470 7.582 0.888 1 1 746 . 19 1 1 A 64 64 ILE HA H 87 3.560 3.108 0.452 1 1 756 . 19 1 1 A 64 64 ILE C C 87 172.900 175.023 -2.123 1 1 757 . 19 1 1 A 64 64 ILE CA C 87 60.500 61.273 -0.773 1 1 758 . 19 1 1 A 64 64 ILE CB C 87 37.400 37.957 -0.557 1 1 762 . 19 1 1 A 64 64 ILE N N 87 119.500 119.660 -0.160 1 1 763 . 19 1 1 A 65 65 PHE H H 88 8.100 7.702 0.398 1 1 764 . 19 1 1 A 65 65 PHE HA H 88 5.010 5.020 -0.010 1 1 772 . 19 1 1 A 65 65 PHE C C 88 174.000 174.219 -0.219 1 1 773 . 19 1 1 A 65 65 PHE CA C 88 55.600 55.902 -0.302 1 1 774 . 19 1 1 A 65 65 PHE CB C 88 38.800 40.315 -1.515 1 1 779 . 19 1 1 A 65 65 PHE N N 88 127.100 127.616 -0.516 1 1 780 . 19 1 1 A 66 66 LEU H H 89 7.710 8.126 -0.416 1 1 781 . 19 1 1 A 66 66 LEU HA H 89 3.620 4.027 -0.407 1 1 791 . 19 1 1 A 66 66 LEU C C 89 173.500 176.577 -3.077 1 1 792 . 19 1 1 A 66 66 LEU CA C 89 52.100 54.334 -2.234 1 1 793 . 19 1 1 A 66 66 LEU CB C 89 41.300 42.229 -0.929 1 1 797 . 19 1 1 A 66 66 LEU N N 89 131.900 128.317 3.583 1 1 798 . 19 1 1 A 67 67 ASP H H 90 7.980 8.308 -0.328 1 1 799 . 19 1 1 A 67 67 ASP HA H 90 4.260 3.848 0.412 1 1 802 . 19 1 1 A 67 67 ASP C C 90 174.800 174.674 0.126 1 1 803 . 19 1 1 A 67 67 ASP CA C 90 53.100 56.552 -3.452 1 1 804 . 19 1 1 A 67 67 ASP CB C 90 39.900 40.624 -0.724 1 1 805 . 19 1 1 A 67 67 ASP N N 90 120.000 124.305 -4.305 1 1 806 . 19 1 1 A 68 68 ASP H H 91 7.480 8.218 -0.738 1 1 807 . 19 1 1 A 68 68 ASP HA H 91 4.850 4.968 -0.118 1 1 810 . 19 1 1 A 68 68 ASP C C 91 175.600 176.254 -0.654 1 1 811 . 19 1 1 A 68 68 ASP CA C 91 54.900 54.257 0.643 1 1 812 . 19 1 1 A 68 68 ASP CB C 91 48.500 42.105 6.395 1 1 813 . 19 1 1 A 68 68 ASP N N 91 121.400 117.596 3.804 1 1 814 . 19 1 1 A 69 69 VAL H H 92 8.370 8.336 0.034 1 1 815 . 19 1 1 A 69 69 VAL HA H 92 4.060 3.705 0.355 1 1 823 . 19 1 1 A 69 69 VAL C C 92 175.900 176.068 -0.168 1 1 824 . 19 1 1 A 69 69 VAL CA C 92 64.800 65.020 -0.220 1 1 825 . 19 1 1 A 69 69 VAL CB C 92 31.700 30.306 1.394 1 1 828 . 19 1 1 A 69 69 VAL N N 92 121.900 120.232 1.668 1 1 829 . 19 1 1 A 70 70 THR H H 93 8.360 8.620 -0.260 1 1 830 . 19 1 1 A 70 70 THR HA H 93 4.060 4.567 -0.507 1 1 836 . 19 1 1 A 70 70 THR C C 93 175.100 173.416 1.684 1 1 837 . 19 1 1 A 70 70 THR CA C 93 63.700 61.346 2.354 1 1 838 . 19 1 1 A 70 70 THR CB C 93 70.300 69.544 0.756 1 1 840 . 19 1 1 A 70 70 THR N N 93 111.100 110.650 0.450 1 1 841 . 19 1 1 A 71 71 VAL H H 94 8.240 8.230 0.010 1 1 842 . 19 1 1 A 71 71 VAL HA H 94 4.520 4.460 0.060 1 1 850 . 19 1 1 A 71 71 VAL C C 94 176.800 175.046 1.754 1 1 851 . 19 1 1 A 71 71 VAL CA C 94 61.200 60.617 0.583 1 1 852 . 19 1 1 A 71 71 VAL CB C 94 33.500 33.555 -0.055 1 1 855 . 19 1 1 A 71 71 VAL N N 94 125.500 122.621 2.879 1 1 856 . 19 1 1 A 72 72 SER H H 95 11.410 8.721 2.689 1 1 857 . 19 1 1 A 72 72 SER HA H 95 4.670 4.636 0.034 1 1 860 . 19 1 1 A 72 72 SER C C 95 174.500 174.953 -0.453 1 1 861 . 19 1 1 A 72 72 SER CA C 95 60.600 56.409 4.191 1 1 862 . 19 1 1 A 72 72 SER CB C 95 64.200 65.285 -1.085 1 1 863 . 19 1 1 A 72 72 SER N N 95 126.800 121.533 5.267 1 1 864 . 19 1 1 A 73 73 ARG H H 96 9.260 8.497 0.763 1 1 865 . 19 1 1 A 73 73 ARG HA H 96 3.770 4.206 -0.436 1 1 873 . 19 1 1 A 73 73 ARG C C 96 176.600 177.223 -0.623 1 1 874 . 19 1 1 A 73 73 ARG CA C 96 61.300 58.510 2.790 1 1 875 . 19 1 1 A 73 73 ARG CB C 96 29.800 30.589 -0.789 1 1 878 . 19 1 1 A 73 73 ARG N N 96 124.600 123.180 1.420 1 1 880 . 19 1 1 A 74 74 ARG H H 97 7.800 7.681 0.119 1 1 881 . 19 1 1 A 74 74 ARG HA H 97 4.440 4.906 -0.466 1 1 889 . 19 1 1 A 74 74 ARG C C 97 173.100 176.587 -3.487 1 1 890 . 19 1 1 A 74 74 ARG CA C 97 54.800 55.017 -0.217 1 1 891 . 19 1 1 A 74 74 ARG CB C 97 29.300 30.225 -0.925 1 1 894 . 19 1 1 A 74 74 ARG N N 97 114.800 114.478 0.322 1 1 896 . 19 1 1 A 75 75 HIS H H 98 7.840 8.261 -0.421 1 1 897 . 19 1 1 A 75 75 HIS HA H 98 4.430 4.323 0.107 1 1 903 . 19 1 1 A 75 75 HIS C C 98 173.800 174.276 -0.476 1 1 904 . 19 1 1 A 75 75 HIS CA C 98 57.800 58.524 -0.724 1 1 905 . 19 1 1 A 75 75 HIS CB C 98 35.000 30.268 4.732 1 1 908 . 19 1 1 A 75 75 HIS N N 98 124.400 119.845 4.555 1 1 910 . 19 1 1 A 76 76 ALA H H 99 8.490 7.596 0.894 1 1 911 . 19 1 1 A 76 76 ALA HA H 99 5.580 4.589 0.991 1 1 915 . 19 1 1 A 76 76 ALA C C 99 176.500 174.878 1.622 1 1 916 . 19 1 1 A 76 76 ALA CA C 99 50.300 50.989 -0.689 1 1 917 . 19 1 1 A 76 76 ALA CB C 99 23.200 22.841 0.359 1 1 918 . 19 1 1 A 76 76 ALA N N 99 116.600 119.242 -2.642 1 1 919 . 19 1 1 A 77 77 GLU H H 100 9.030 8.294 0.736 1 1 920 . 19 1 1 A 77 77 GLU HA H 100 5.030 4.699 0.331 1 1 925 . 19 1 1 A 77 77 GLU C C 100 174.100 174.291 -0.191 1 1 926 . 19 1 1 A 77 77 GLU CA C 100 54.500 55.313 -0.813 1 1 927 . 19 1 1 A 77 77 GLU CB C 100 34.900 33.207 1.693 1 1 929 . 19 1 1 A 77 77 GLU N N 100 118.100 121.336 -3.236 1 1 930 . 19 1 1 A 78 78 PHE H H 101 9.400 9.039 0.361 1 1 931 . 19 1 1 A 78 78 PHE HA H 101 5.400 5.383 0.017 1 1 939 . 19 1 1 A 78 78 PHE C C 101 176.500 175.268 1.232 1 1 940 . 19 1 1 A 78 78 PHE CA C 101 56.700 56.904 -0.204 1 1 941 . 19 1 1 A 78 78 PHE CB C 101 41.000 42.072 -1.072 1 1 946 . 19 1 1 A 78 78 PHE N N 101 119.600 124.859 -5.259 1 1 947 . 19 1 1 A 79 79 ARG H H 102 9.720 8.729 0.991 1 1 948 . 19 1 1 A 79 79 ARG HA H 102 5.490 5.264 0.226 1 1 956 . 19 1 1 A 79 79 ARG C C 102 174.300 174.237 0.063 1 1 957 . 19 1 1 A 79 79 ARG CA C 102 54.800 54.372 0.428 1 1 958 . 19 1 1 A 79 79 ARG CB C 102 33.100 34.540 -1.440 1 1 961 . 19 1 1 A 79 79 ARG N N 102 126.100 120.290 5.810 1 1 963 . 19 1 1 A 80 80 LEU H H 103 9.020 8.907 0.113 1 1 964 . 19 1 1 A 80 80 LEU HA H 103 4.400 4.767 -0.367 1 1 974 . 19 1 1 A 80 80 LEU C C 103 176.100 176.084 0.016 1 1 975 . 19 1 1 A 80 80 LEU CA C 103 54.100 53.556 0.544 1 1 976 . 19 1 1 A 80 80 LEU CB C 103 42.600 44.071 -1.471 1 1 980 . 19 1 1 A 80 80 LEU N N 103 128.000 124.986 3.014 1 1 981 . 19 1 1 A 81 81 GLU H H 104 8.860 8.279 0.581 1 1 982 . 19 1 1 A 81 81 GLU HA H 104 4.430 4.524 -0.094 1 1 987 . 19 1 1 A 81 81 GLU C C 104 175.800 175.599 0.201 1 1 988 . 19 1 1 A 81 81 GLU CA C 104 55.500 54.886 0.614 1 1 989 . 19 1 1 A 81 81 GLU CB C 104 32.600 30.108 2.492 1 1 991 . 19 1 1 A 81 81 GLU N N 104 128.600 125.682 2.918 1 1 992 . 19 1 1 A 82 82 ASN H H 105 9.410 8.213 1.197 1 1 993 . 19 1 1 A 82 82 ASN HA H 105 4.200 4.733 -0.533 1 1 998 . 19 1 1 A 82 82 ASN C C 105 174.300 175.225 -0.925 1 1 999 . 19 1 1 A 82 82 ASN CA C 105 54.700 52.695 2.005 1 1 1000 . 19 1 1 A 82 82 ASN CB C 105 37.200 37.481 -0.281 1 1 1002 . 19 1 1 A 82 82 ASN N N 105 124.600 118.424 6.176 1 1 1004 . 19 1 1 A 83 83 ASN H H 106 8.640 8.162 0.478 1 1 1005 . 19 1 1 A 83 83 ASN HA H 106 4.010 4.206 -0.196 1 1 1010 . 19 1 1 A 83 83 ASN C C 106 173.100 173.749 -0.649 1 1 1011 . 19 1 1 A 83 83 ASN CA C 106 54.900 54.485 0.415 1 1 1012 . 19 1 1 A 83 83 ASN CB C 106 38.100 37.153 0.947 1 1 1014 . 19 1 1 A 83 83 ASN N N 106 108.900 113.277 -4.377 1 1 1016 . 19 1 1 A 84 84 GLU H H 107 7.660 7.454 0.206 1 1 1017 . 19 1 1 A 84 84 GLU HA H 107 4.660 4.773 -0.113 1 1 1022 . 19 1 1 A 84 84 GLU C C 107 174.300 175.165 -0.865 1 1 1023 . 19 1 1 A 84 84 GLU CA C 107 54.700 54.711 -0.011 1 1 1024 . 19 1 1 A 84 84 GLU CB C 107 32.900 33.001 -0.101 1 1 1026 . 19 1 1 A 84 84 GLU N N 107 118.300 117.110 1.190 1 1 1027 . 19 1 1 A 85 85 PHE H H 108 9.690 8.786 0.904 1 1 1028 . 19 1 1 A 85 85 PHE HA H 108 5.000 5.005 -0.005 1 1 1035 . 19 1 1 A 85 85 PHE C C 108 174.500 175.470 -0.970 1 1 1036 . 19 1 1 A 85 85 PHE CA C 108 58.600 57.247 1.353 1 1 1037 . 19 1 1 A 85 85 PHE CB C 108 41.800 41.272 0.528 1 1 1042 . 19 1 1 A 85 85 PHE N N 108 121.100 122.585 -1.485 1 1 1043 . 19 1 1 A 86 86 ASN H H 109 9.180 8.957 0.223 1 1 1044 . 19 1 1 A 86 86 ASN HA H 109 5.580 5.239 0.341 1 1 1049 . 19 1 1 A 86 86 ASN C C 109 175.000 172.984 2.016 1 1 1050 . 19 1 1 A 86 86 ASN CA C 109 51.200 52.250 -1.050 1 1 1051 . 19 1 1 A 86 86 ASN CB C 109 42.100 42.125 -0.025 1 1 1053 . 19 1 1 A 86 86 ASN N N 109 119.400 116.865 2.535 1 1 1055 . 19 1 1 A 87 87 VAL H H 110 9.060 9.363 -0.303 1 1 1056 . 19 1 1 A 87 87 VAL HA H 110 4.940 4.942 -0.002 1 1 1064 . 19 1 1 A 87 87 VAL C C 110 171.700 173.533 -1.833 1 1 1065 . 19 1 1 A 87 87 VAL CA C 110 58.400 59.838 -1.438 1 1 1066 . 19 1 1 A 87 87 VAL CB C 110 33.800 34.783 -0.983 1 1 1069 . 19 1 1 A 87 87 VAL N N 110 121.300 120.036 1.264 1 1 1070 . 19 1 1 A 88 88 VAL H H 111 8.640 9.253 -0.613 1 1 1071 . 19 1 1 A 88 88 VAL HA H 111 4.590 4.528 0.062 1 1 1079 . 19 1 1 A 88 88 VAL C C 111 175.700 174.232 1.468 1 1 1080 . 19 1 1 A 88 88 VAL CA C 111 60.100 60.538 -0.438 1 1 1081 . 19 1 1 A 88 88 VAL CB C 111 36.200 34.911 1.289 1 1 1084 . 19 1 1 A 88 88 VAL N N 111 125.500 128.026 -2.526 1 1 1085 . 19 1 1 A 89 89 ASP H H 112 8.480 8.595 -0.115 1 1 1086 . 19 1 1 A 89 89 ASP HA H 112 4.870 4.593 0.277 1 1 1089 . 19 1 1 A 89 89 ASP C C 112 177.200 175.356 1.844 1 1 1090 . 19 1 1 A 89 89 ASP CA C 112 54.700 53.080 1.620 1 1 1091 . 19 1 1 A 89 89 ASP CB C 112 43.600 41.038 2.562 1 1 1092 . 19 1 1 A 89 89 ASP N N 112 126.600 127.223 -0.623 1 1 1093 . 19 1 1 A 90 90 VAL H H 113 7.980 8.375 -0.395 1 1 1094 . 19 1 1 A 90 90 VAL HA H 113 4.540 4.049 0.491 1 1 1102 . 19 1 1 A 90 90 VAL C C 113 174.400 175.951 -1.551 1 1 1103 . 19 1 1 A 90 90 VAL CA C 113 60.300 62.527 -2.227 1 1 1104 . 19 1 1 A 90 90 VAL CB C 113 29.500 30.775 -1.275 1 1 1107 . 19 1 1 A 90 90 VAL N N 113 119.700 122.942 -3.242 1 1 1108 . 19 1 1 A 91 91 GLY H H 114 8.600 8.324 0.276 1 1 1109 . 19 1 1 A 91 91 GLY HA2 H 114 4.260 4.063 0.197 1 1 1110 . 19 1 1 A 91 91 GLY HA3 H 114 3.720 4.066 -0.346 1 1 1111 . 19 1 1 A 91 91 GLY C C 114 175.300 174.217 1.083 1 1 1112 . 19 1 1 A 91 91 GLY CA C 114 45.700 44.617 1.083 1 1 1113 . 19 1 1 A 91 91 GLY N N 114 111.300 114.158 -2.858 1 1 1114 . 19 1 1 A 92 92 SER H H 115 9.190 8.824 0.366 1 1 1115 . 19 1 1 A 92 92 SER HA H 115 3.890 4.221 -0.331 1 1 1118 . 19 1 1 A 92 92 SER C C 115 174.500 174.681 -0.181 1 1 1119 . 19 1 1 A 92 92 SER CA C 115 58.600 59.092 -0.492 1 1 1120 . 19 1 1 A 92 92 SER CB C 115 61.300 62.106 -0.806 1 1 1121 . 19 1 1 A 92 92 SER N N 115 121.000 114.522 6.478 1 1 1122 . 19 1 1 A 93 93 LEU H H 116 7.720 8.332 -0.612 1 1 1123 . 19 1 1 A 93 93 LEU HA H 116 4.250 4.274 -0.024 1 1 1133 . 19 1 1 A 93 93 LEU C C 116 179.100 177.697 1.403 1 1 1134 . 19 1 1 A 93 93 LEU CA C 116 57.200 57.761 -0.561 1 1 1135 . 19 1 1 A 93 93 LEU CB C 116 42.100 41.766 0.334 1 1 1139 . 19 1 1 A 93 93 LEU N N 116 120.500 128.477 -7.977 1 1 1140 . 19 1 1 A 94 94 ASN H H 117 8.450 7.991 0.459 1 1 1141 . 19 1 1 A 94 94 ASN HA H 117 4.870 5.093 -0.223 1 1 1146 . 19 1 1 A 94 94 ASN C C 117 175.800 174.892 0.908 1 1 1147 . 19 1 1 A 94 94 ASN CA C 117 54.000 52.481 1.519 1 1 1148 . 19 1 1 A 94 94 ASN CB C 117 40.100 39.446 0.654 1 1 1150 . 19 1 1 A 94 94 ASN N N 117 112.500 117.405 -4.905 1 1 1152 . 19 1 1 A 95 95 GLY H H 118 7.940 8.547 -0.607 1 1 1153 . 19 1 1 A 95 95 GLY HA2 H 118 4.190 4.164 0.026 1 1 1154 . 19 1 1 A 95 95 GLY HA3 H 118 3.610 4.264 -0.654 1 1 1155 . 19 1 1 A 95 95 GLY C C 118 174.000 171.824 2.176 1 1 1156 . 19 1 1 A 95 95 GLY CA C 118 44.300 46.164 -1.864 1 1 1157 . 19 1 1 A 95 95 GLY N N 118 109.800 112.549 -2.749 1 1 1158 . 19 1 1 A 96 96 THR H H 119 8.940 8.379 0.561 1 1 1159 . 19 1 1 A 96 96 THR HA H 119 3.820 4.034 -0.214 1 1 1165 . 19 1 1 A 96 96 THR C C 119 172.300 173.640 -1.340 1 1 1166 . 19 1 1 A 96 96 THR CA C 119 64.100 62.906 1.194 1 1 1167 . 19 1 1 A 96 96 THR CB C 119 70.200 69.280 0.920 1 1 1169 . 19 1 1 A 96 96 THR N N 119 122.000 117.085 4.915 1 1 1170 . 19 1 1 A 97 97 TYR H H 120 8.220 8.302 -0.082 1 1 1171 . 19 1 1 A 97 97 TYR HA H 120 5.340 5.044 0.296 1 1 1178 . 19 1 1 A 97 97 TYR C C 120 175.900 174.680 1.220 1 1 1179 . 19 1 1 A 97 97 TYR CA C 120 55.600 56.302 -0.702 1 1 1180 . 19 1 1 A 97 97 TYR CB C 120 41.400 42.156 -0.756 1 1 1185 . 19 1 1 A 97 97 TYR N N 120 122.800 126.131 -3.331 1 1 1186 . 19 1 1 A 98 98 VAL H H 121 9.040 8.720 0.320 1 1 1187 . 19 1 1 A 98 98 VAL HA H 121 5.010 4.599 0.411 1 1 1195 . 19 1 1 A 98 98 VAL C C 121 176.900 177.257 -0.357 1 1 1196 . 19 1 1 A 98 98 VAL CA C 121 61.100 60.294 0.806 1 1 1197 . 19 1 1 A 98 98 VAL CB C 121 33.000 33.829 -0.829 1 1 1200 . 19 1 1 A 98 98 VAL N N 121 121.400 123.531 -2.131 1 1 1201 . 19 1 1 A 99 99 ASN H H 122 10.100 9.234 0.866 1 1 1202 . 19 1 1 A 99 99 ASN HA H 122 4.440 4.457 -0.017 1 1 1207 . 19 1 1 A 99 99 ASN C C 122 174.500 177.100 -2.600 1 1 1208 . 19 1 1 A 99 99 ASN CA C 122 55.000 56.060 -1.060 1 1 1209 . 19 1 1 A 99 99 ASN CB C 122 37.000 37.837 -0.837 1 1 1211 . 19 1 1 A 99 99 ASN N N 122 129.400 125.563 3.837 1 1 1213 . 19 1 1 A 100 100 ARG H H 123 9.290 7.890 1.400 1 1 1214 . 19 1 1 A 100 100 ARG HA H 123 3.680 4.245 -0.565 1 1 1222 . 19 1 1 A 100 100 ARG C C 123 175.200 175.908 -0.708 1 1 1223 . 19 1 1 A 100 100 ARG CA C 123 58.100 57.023 1.077 1 1 1224 . 19 1 1 A 100 100 ARG CB C 123 27.600 30.672 -3.072 1 1 1227 . 19 1 1 A 100 100 ARG N N 123 106.100 118.199 -12.099 1 1 1229 . 19 1 1 A 101 101 GLU H H 124 7.970 7.990 -0.020 1 1 1230 . 19 1 1 A 101 101 GLU HA H 124 5.110 4.740 0.370 1 1 1235 . 19 1 1 A 101 101 GLU CA C 124 53.000 54.285 -1.285 1 1 1236 . 19 1 1 A 101 101 GLU CB C 124 30.900 30.757 0.143 1 1 1238 . 19 1 1 A 101 101 GLU N N 124 121.300 116.551 4.749 1 1 1239 . 19 1 1 A 102 102 PRO HA H 125 4.050 4.783 -0.733 1 1 1246 . 19 1 1 A 102 102 PRO C C 125 177.500 176.389 1.111 1 1 1247 . 19 1 1 A 102 102 PRO CA C 125 62.300 63.164 -0.864 1 1 1248 . 19 1 1 A 102 102 PRO CB C 125 31.300 32.368 -1.068 1 1 1251 . 19 1 1 A 103 103 VAL H H 126 8.330 8.147 0.183 1 1 1252 . 19 1 1 A 103 103 VAL HA H 126 4.700 4.853 -0.153 1 1 1260 . 19 1 1 A 103 103 VAL C C 126 174.500 175.426 -0.926 1 1 1261 . 19 1 1 A 103 103 VAL CA C 126 58.900 59.458 -0.558 1 1 1262 . 19 1 1 A 103 103 VAL CB C 126 35.300 36.087 -0.787 1 1 1265 . 19 1 1 A 103 103 VAL N N 126 115.000 116.691 -1.691 1 1 1266 . 19 1 1 A 104 104 ASP H H 127 8.520 8.832 -0.312 1 1 1267 . 19 1 1 A 104 104 ASP HA H 127 4.780 4.510 0.270 1 1 1270 . 19 1 1 A 104 104 ASP C C 127 176.200 176.094 0.106 1 1 1271 . 19 1 1 A 104 104 ASP CA C 127 55.800 56.214 -0.414 1 1 1272 . 19 1 1 A 104 104 ASP CB C 127 41.100 42.089 -0.989 1 1 1273 . 19 1 1 A 104 104 ASP N N 127 120.800 122.752 -1.952 1 1 1274 . 19 1 1 A 105 105 SER H H 128 7.650 7.741 -0.091 1 1 1275 . 19 1 1 A 105 105 SER HA H 128 5.440 5.116 0.324 1 1 1278 . 19 1 1 A 105 105 SER C C 128 173.400 172.681 0.719 1 1 1279 . 19 1 1 A 105 105 SER CA C 128 56.600 57.458 -0.858 1 1 1280 . 19 1 1 A 105 105 SER CB C 128 65.000 65.617 -0.617 1 1 1281 . 19 1 1 A 105 105 SER N N 128 111.500 110.991 0.509 1 1 1282 . 19 1 1 A 106 106 ALA H H 129 8.790 8.492 0.298 1 1 1283 . 19 1 1 A 106 106 ALA HA H 129 4.610 4.986 -0.376 1 1 1287 . 19 1 1 A 106 106 ALA C C 129 175.300 175.972 -0.672 1 1 1288 . 19 1 1 A 106 106 ALA CA C 129 52.100 51.484 0.616 1 1 1289 . 19 1 1 A 106 106 ALA CB C 129 22.600 23.293 -0.693 1 1 1290 . 19 1 1 A 106 106 ALA N N 129 125.100 121.629 3.471 1 1 1291 . 19 1 1 A 107 107 VAL H H 130 8.340 8.766 -0.426 1 1 1292 . 19 1 1 A 107 107 VAL HA H 130 4.160 4.519 -0.359 1 1 1300 . 19 1 1 A 107 107 VAL C C 130 176.300 175.589 0.711 1 1 1301 . 19 1 1 A 107 107 VAL CA C 130 62.600 61.260 1.340 1 1 1302 . 19 1 1 A 107 107 VAL CB C 130 32.000 32.998 -0.998 1 1 1305 . 19 1 1 A 107 107 VAL N N 130 122.800 118.939 3.861 1 1 1306 . 19 1 1 A 108 108 LEU H H 131 8.490 8.704 -0.214 1 1 1307 . 19 1 1 A 108 108 LEU HA H 131 4.370 4.218 0.152 1 1 1317 . 19 1 1 A 108 108 LEU C C 131 175.200 175.871 -0.671 1 1 1318 . 19 1 1 A 108 108 LEU CA C 131 54.200 54.161 0.039 1 1 1319 . 19 1 1 A 108 108 LEU CB C 131 43.000 41.668 1.332 1 1 1323 . 19 1 1 A 108 108 LEU N N 131 128.900 128.063 0.837 1 1 1324 . 19 1 1 A 109 109 ALA H H 132 9.130 8.521 0.609 1 1 1325 . 19 1 1 A 109 109 ALA HA H 132 4.750 4.834 -0.084 1 1 1329 . 19 1 1 A 109 109 ALA C C 132 176.500 176.544 -0.044 1 1 1330 . 19 1 1 A 109 109 ALA CA C 132 49.700 51.242 -1.542 1 1 1331 . 19 1 1 A 109 109 ALA CB C 132 22.400 22.869 -0.469 1 1 1332 . 19 1 1 A 109 109 ALA N N 132 126.000 124.400 1.600 1 1 1333 . 19 1 1 A 110 110 ASN H H 133 8.860 8.767 0.093 1 1 1334 . 19 1 1 A 110 110 ASN HA H 133 4.430 4.638 -0.208 1 1 1339 . 19 1 1 A 110 110 ASN C C 133 176.400 175.925 0.475 1 1 1340 . 19 1 1 A 110 110 ASN CA C 133 56.400 54.872 1.528 1 1 1341 . 19 1 1 A 110 110 ASN CB C 133 39.800 37.986 1.814 1 1 1343 . 19 1 1 A 110 110 ASN N N 133 117.600 117.966 -0.366 1 1 1345 . 19 1 1 A 111 111 GLY H H 134 10.100 8.411 1.689 1 1 1346 . 19 1 1 A 111 111 GLY HA2 H 134 4.430 3.918 0.512 1 1 1347 . 19 1 1 A 111 111 GLY HA3 H 134 3.410 3.921 -0.511 1 1 1348 . 19 1 1 A 111 111 GLY C C 134 174.800 174.209 0.591 1 1 1349 . 19 1 1 A 111 111 GLY CA C 134 45.100 45.582 -0.482 1 1 1350 . 19 1 1 A 111 111 GLY N N 134 117.200 112.081 5.119 1 1 1351 . 19 1 1 A 112 112 ASP H H 135 8.640 8.330 0.310 1 1 1352 . 19 1 1 A 112 112 ASP HA H 135 4.430 4.882 -0.452 1 1 1355 . 19 1 1 A 112 112 ASP C C 135 174.700 174.849 -0.149 1 1 1356 . 19 1 1 A 112 112 ASP CA C 135 56.200 53.990 2.210 1 1 1357 . 19 1 1 A 112 112 ASP CB C 135 42.100 42.098 0.002 1 1 1358 . 19 1 1 A 112 112 ASP N N 135 122.900 120.993 1.907 1 1 1359 . 19 1 1 A 113 113 GLU H H 136 8.360 8.828 -0.468 1 1 1360 . 19 1 1 A 113 113 GLU HA H 136 5.220 5.073 0.147 1 1 1365 . 19 1 1 A 113 113 GLU C C 136 176.000 175.034 0.966 1 1 1366 . 19 1 1 A 113 113 GLU CA C 136 54.400 55.234 -0.834 1 1 1367 . 19 1 1 A 113 113 GLU CB C 136 32.900 33.180 -0.280 1 1 1369 . 19 1 1 A 113 113 GLU N N 136 119.000 122.822 -3.822 1 1 1370 . 19 1 1 A 114 114 VAL H H 137 9.800 9.085 0.715 1 1 1371 . 19 1 1 A 114 114 VAL HA H 137 5.160 4.964 0.196 1 1 1379 . 19 1 1 A 114 114 VAL C C 137 174.400 174.720 -0.320 1 1 1380 . 19 1 1 A 114 114 VAL CA C 137 60.400 60.946 -0.546 1 1 1381 . 19 1 1 A 114 114 VAL CB C 137 34.300 34.688 -0.388 1 1 1384 . 19 1 1 A 114 114 VAL N N 137 129.000 125.691 3.309 1 1 1385 . 19 1 1 A 115 115 GLN H H 138 9.610 9.100 0.510 1 1 1386 . 19 1 1 A 115 115 GLN HA H 138 5.430 5.212 0.218 1 1 1393 . 19 1 1 A 115 115 GLN C C 138 174.800 174.501 0.299 1 1 1394 . 19 1 1 A 115 115 GLN CA C 138 54.500 54.379 0.121 1 1 1395 . 19 1 1 A 115 115 GLN CB C 138 30.700 31.292 -0.592 1 1 1398 . 19 1 1 A 115 115 GLN N N 138 129.300 127.638 1.662 1 1 1399 . 19 1 1 A 116 116 ILE H H 139 8.400 8.427 -0.027 1 1 1400 . 19 1 1 A 116 116 ILE HA H 139 4.020 4.517 -0.497 1 1 1410 . 19 1 1 A 116 116 ILE C C 139 174.500 176.300 -1.800 1 1 1411 . 19 1 1 A 116 116 ILE CA C 139 60.600 60.036 0.564 1 1 1412 . 19 1 1 A 116 116 ILE CB C 139 40.900 40.480 0.420 1 1 1416 . 19 1 1 A 116 116 ILE N N 139 128.300 126.706 1.594 1 1 1417 . 19 1 1 A 117 117 GLY H H 140 9.650 8.844 0.806 1 1 1418 . 19 1 1 A 117 117 GLY HA2 H 140 3.820 3.906 -0.086 1 1 1419 . 19 1 1 A 117 117 GLY HA3 H 140 3.630 3.947 -0.317 1 1 1420 . 19 1 1 A 117 117 GLY C C 140 175.400 174.843 0.557 1 1 1421 . 19 1 1 A 117 117 GLY CA C 140 46.500 46.853 -0.353 1 1 1422 . 19 1 1 A 117 117 GLY N N 140 116.800 115.696 1.104 1 1 1423 . 19 1 1 A 118 118 LYS H H 141 7.960 8.675 -0.715 1 1 1424 . 19 1 1 A 118 118 LYS HA H 141 4.070 4.221 -0.151 1 1 1433 . 19 1 1 A 118 118 LYS C C 141 175.600 176.563 -0.963 1 1 1434 . 19 1 1 A 118 118 LYS CA C 141 56.700 57.339 -0.639 1 1 1435 . 19 1 1 A 118 118 LYS CB C 141 32.600 32.882 -0.282 1 1 1439 . 19 1 1 A 118 118 LYS N N 141 122.400 125.784 -3.384 1 1 1440 . 19 1 1 A 119 119 PHE H H 142 8.260 7.234 1.026 1 1 1441 . 19 1 1 A 119 119 PHE HA H 142 4.540 4.778 -0.238 1 1 1449 . 19 1 1 A 119 119 PHE C C 142 174.700 176.044 -1.344 1 1 1450 . 19 1 1 A 119 119 PHE CA C 142 58.200 57.859 0.341 1 1 1451 . 19 1 1 A 119 119 PHE CB C 142 39.900 40.438 -0.538 1 1 1456 . 19 1 1 A 119 119 PHE N N 142 119.500 117.578 1.922 1 1 1457 . 19 1 1 A 120 120 ARG H H 143 8.690 8.886 -0.196 1 1 1458 . 19 1 1 A 120 120 ARG HA H 143 5.020 5.136 -0.116 1 1 1465 . 19 1 1 A 120 120 ARG C C 143 174.800 175.468 -0.668 1 1 1466 . 19 1 1 A 120 120 ARG CA C 143 55.100 54.919 0.181 1 1 1467 . 19 1 1 A 120 120 ARG CB C 143 32.800 33.251 -0.451 1 1 1470 . 19 1 1 A 120 120 ARG N N 143 121.500 123.088 -1.588 1 1 1471 . 19 1 1 A 121 121 LEU H H 144 9.760 9.173 0.587 1 1 1472 . 19 1 1 A 121 121 LEU HA H 144 5.420 5.323 0.097 1 1 1482 . 19 1 1 A 121 121 LEU C C 144 175.000 175.020 -0.020 1 1 1483 . 19 1 1 A 121 121 LEU CA C 144 53.900 53.574 0.326 1 1 1484 . 19 1 1 A 121 121 LEU CB C 144 44.900 45.802 -0.902 1 1 1488 . 19 1 1 A 121 121 LEU N N 144 126.400 124.696 1.704 1 1 1489 . 19 1 1 A 122 122 VAL H H 145 9.370 9.049 0.321 1 1 1490 . 19 1 1 A 122 122 VAL HA H 145 5.010 5.123 -0.113 1 1 1498 . 19 1 1 A 122 122 VAL C C 145 173.700 173.480 0.220 1 1 1499 . 19 1 1 A 122 122 VAL CA C 145 60.800 59.494 1.306 1 1 1500 . 19 1 1 A 122 122 VAL CB C 145 34.300 34.613 -0.313 1 1 1503 . 19 1 1 A 122 122 VAL N N 145 121.900 122.781 -0.881 1 1 1504 . 19 1 1 A 123 123 PHE H H 146 8.830 9.403 -0.573 1 1 1505 . 19 1 1 A 123 123 PHE HA H 146 4.980 4.970 0.010 1 1 1513 . 19 1 1 A 123 123 PHE C C 146 172.700 173.968 -1.268 1 1 1514 . 19 1 1 A 123 123 PHE CA C 146 57.100 56.352 0.748 1 1 1515 . 19 1 1 A 123 123 PHE CB C 146 41.100 39.998 1.102 1 1 1521 . 19 1 1 A 123 123 PHE N N 146 128.700 130.398 -1.698 1 1 1522 . 19 1 1 A 124 124 LEU H H 147 8.650 8.238 0.412 1 1 1523 . 19 1 1 A 124 124 LEU HA H 147 5.020 4.669 0.351 1 1 1533 . 19 1 1 A 124 124 LEU C C 147 175.300 176.209 -0.909 1 1 1534 . 19 1 1 A 124 124 LEU CA C 147 52.600 53.235 -0.635 1 1 1535 . 19 1 1 A 124 124 LEU CB C 147 45.600 45.416 0.184 1 1 1539 . 19 1 1 A 124 124 LEU N N 147 128.000 128.708 -0.708 1 1 1540 . 19 1 1 A 125 125 THR H H 148 8.300 8.341 -0.041 1 1 1541 . 19 1 1 A 125 125 THR HA H 148 4.330 4.374 -0.044 1 1 1546 . 19 1 1 A 125 125 THR C C 148 173.900 174.797 -0.897 1 1 1547 . 19 1 1 A 125 125 THR CA C 148 60.200 60.517 -0.317 1 1 1548 . 19 1 1 A 125 125 THR CB C 148 70.300 71.022 -0.722 1 1 1550 . 19 1 1 A 125 125 THR N N 148 110.600 113.850 -3.250 1 1 1551 . 19 1 1 A 126 126 GLY H H 149 8.310 8.517 -0.207 1 1 1552 . 19 1 1 A 126 126 GLY HA2 H 149 3.840 3.877 -0.037 1 1 1553 . 19 1 1 A 126 126 GLY HA3 H 149 3.840 3.886 -0.046 1 1 1554 . 19 1 1 A 126 126 GLY CA C 149 45.200 46.987 -1.787 1 1 1555 . 19 1 1 A 126 126 GLY N N 149 109.800 108.719 1.081 1 1 1556 . 19 1 1 A 127 127 HIS H H 150 8.310 8.165 0.145 1 1 1557 . 19 1 1 A 127 127 HIS HA H 150 4.630 4.235 0.395 1 1 1562 . 19 1 1 A 127 127 HIS C C 150 174.800 176.131 -1.331 1 1 1563 . 19 1 1 A 127 127 HIS CA C 150 55.900 58.317 -2.417 1 1 1564 . 19 1 1 A 127 127 HIS CB C 150 30.700 29.537 1.163 1 1 1567 . 19 1 1 A 127 127 HIS N N 150 119.300 122.346 -3.046 1 1 1570 . 19 1 1 A 128 128 LYS H H 151 8.490 7.507 0.983 1 1 1571 . 19 1 1 A 128 128 LYS HA H 151 4.300 4.330 -0.030 1 1 1580 . 19 1 1 A 128 128 LYS C C 151 176.200 175.473 0.727 1 1 1581 . 19 1 1 A 128 128 LYS CA C 151 56.100 56.137 -0.037 1 1 1582 . 19 1 1 A 128 128 LYS CB C 151 33.200 33.220 -0.020 1 1 1586 . 19 1 1 A 128 128 LYS N N 151 123.800 120.959 2.841 1 1 1587 . 19 1 1 A 129 129 GLN H H 152 8.640 8.578 0.062 1 1 1588 . 19 1 1 A 129 129 GLN HA H 152 4.270 5.161 -0.891 1 1 1595 . 19 1 1 A 129 129 GLN C C 152 176.500 175.343 1.157 1 1 1596 . 19 1 1 A 129 129 GLN CA C 152 56.400 54.701 1.699 1 1 1597 . 19 1 1 A 129 129 GLN CB C 152 29.500 31.038 -1.538 1 1 1600 . 19 1 1 A 129 129 GLN N N 152 122.900 124.175 -1.275 1 1 1602 . 19 1 1 A 130 130 GLY H H 153 8.640 8.427 0.213 1 1 1603 . 19 1 1 A 130 130 GLY HA2 H 153 3.990 4.165 -0.175 1 1 1604 . 19 1 1 A 130 130 GLY HA3 H 153 3.910 4.165 -0.255 1 1 1605 . 19 1 1 A 130 130 GLY C C 153 174.100 173.804 0.296 1 1 1606 . 19 1 1 A 130 130 GLY CA C 153 45.400 45.416 -0.016 1 1 1607 . 19 1 1 A 130 130 GLY N N 153 111.100 108.426 2.674 1 1 1608 . 19 1 1 A 131 131 GLU H H 154 8.220 7.994 0.226 1 1 1609 . 19 1 1 A 131 131 GLU HA H 154 4.260 4.608 -0.348 1 1 1614 . 19 1 1 A 131 131 GLU C C 154 176.100 174.805 1.295 1 1 1615 . 19 1 1 A 131 131 GLU CA C 154 56.600 55.193 1.407 1 1 1616 . 19 1 1 A 131 131 GLU CB C 154 30.600 30.602 -0.002 1 1 1618 . 19 1 1 A 131 131 GLU N N 154 120.500 120.681 -0.181 1 1 1619 . 19 1 1 A 132 132 ASP H H 155 8.530 7.642 0.888 1 1 1620 . 19 1 1 A 132 132 ASP HA H 155 4.560 4.932 -0.372 1 1 1623 . 19 1 1 A 132 132 ASP C C 155 176.300 174.772 1.528 1 1 1624 . 19 1 1 A 132 132 ASP CA C 155 54.300 53.443 0.857 1 1 1625 . 19 1 1 A 132 132 ASP CB C 155 41.000 44.401 -3.401 1 1 1626 . 19 1 1 A 132 132 ASP N N 155 121.300 121.946 -0.646 1 1 1627 . 19 1 1 A 133 133 LEU H H 156 8.230 8.959 -0.729 1 1 1628 . 19 1 1 A 133 133 LEU HA H 156 4.200 4.379 -0.179 1 1 1638 . 19 1 1 A 133 133 LEU C C 156 177.700 177.802 -0.102 1 1 1639 . 19 1 1 A 133 133 LEU CA C 156 55.500 55.048 0.452 1 1 1640 . 19 1 1 A 133 133 LEU CB C 156 42.100 42.263 -0.163 1 1 1644 . 19 1 1 A 133 133 LEU N N 156 122.500 121.770 0.730 1 1 1645 . 19 1 1 A 134 134 GLU H H 157 8.270 8.577 -0.307 1 1 1646 . 19 1 1 A 134 134 GLU HA H 157 4.100 4.457 -0.357 1 1 1651 . 19 1 1 A 134 134 GLU C C 157 177.300 177.144 0.156 1 1 1652 . 19 1 1 A 134 134 GLU CA C 157 56.900 57.087 -0.187 1 1 1653 . 19 1 1 A 134 134 GLU CB C 157 30.000 30.138 -0.138 1 1 1655 . 19 1 1 A 134 134 GLU N N 157 119.800 122.383 -2.583 1 1 1656 . 19 1 1 A 135 135 HIS H H 158 8.150 8.900 -0.750 1 1 1657 . 19 1 1 A 135 135 HIS HA H 158 4.530 4.943 -0.413 1 1 1662 . 19 1 1 A 135 135 HIS CA C 158 56.100 54.736 1.364 1 1 1663 . 19 1 1 A 135 135 HIS CB C 158 30.000 31.984 -1.984 1 1 1664 . 19 1 1 A 135 135 HIS N N 158 118.500 119.204 -0.704 1 1 1665 . 19 1 1 A 139 139 HIS HA H 162 4.590 4.553 0.037 1 1 1668 . 19 1 1 A 139 139 HIS C C 162 173.900 175.606 -1.706 1 1 1669 . 19 1 1 A 139 139 HIS CA C 162 55.900 55.665 0.235 1 1 1670 . 19 1 1 A 139 139 HIS CB C 162 30.100 30.847 -0.747 1 1 15 . 20 1 1 A 2 2 PHE H H 25 8.640 8.907 -0.267 1 1 16 . 20 1 1 A 2 2 PHE HA H 25 4.630 4.354 0.276 1 1 24 . 20 1 1 A 2 2 PHE C C 25 175.000 174.355 0.645 1 1 25 . 20 1 1 A 2 2 PHE CA C 25 58.000 58.358 -0.358 1 1 26 . 20 1 1 A 2 2 PHE CB C 25 39.700 38.835 0.865 1 1 31 . 20 1 1 A 3 3 ARG H H 26 8.210 6.273 1.937 1 1 32 . 20 1 1 A 3 3 ARG HA H 26 4.200 3.929 0.271 1 1 40 . 20 1 1 A 3 3 ARG C C 26 175.100 176.509 -1.409 1 1 41 . 20 1 1 A 3 3 ARG CA C 26 55.600 56.469 -0.869 1 1 42 . 20 1 1 A 3 3 ARG CB C 26 31.300 30.025 1.275 1 1 45 . 20 1 1 A 3 3 ARG N N 26 125.000 120.908 4.092 1 1 47 . 20 1 1 A 4 4 ALA H H 27 8.260 8.453 -0.193 1 1 48 . 20 1 1 A 4 4 ALA HA H 27 4.090 3.806 0.284 1 1 52 . 20 1 1 A 4 4 ALA C C 27 177.300 178.142 -0.842 1 1 53 . 20 1 1 A 4 4 ALA CA C 27 52.800 53.977 -1.177 1 1 54 . 20 1 1 A 4 4 ALA CB C 27 19.200 17.566 1.634 1 1 55 . 20 1 1 A 4 4 ALA N N 27 125.400 121.233 4.167 1 1 56 . 20 1 1 A 5 5 ASP H H 28 8.260 8.627 -0.367 1 1 57 . 20 1 1 A 5 5 ASP HA H 28 4.470 4.555 -0.085 1 1 60 . 20 1 1 A 5 5 ASP C C 28 176.200 176.713 -0.513 1 1 61 . 20 1 1 A 5 5 ASP CA C 28 54.500 57.198 -2.698 1 1 62 . 20 1 1 A 5 5 ASP CB C 28 40.700 41.450 -0.750 1 1 63 . 20 1 1 A 5 5 ASP N N 28 118.200 118.763 -0.563 1 1 64 . 20 1 1 A 6 6 PHE H H 29 7.930 7.693 0.237 1 1 65 . 20 1 1 A 6 6 PHE HA H 29 4.510 4.752 -0.242 1 1 73 . 20 1 1 A 6 6 PHE C C 29 175.700 175.216 0.484 1 1 74 . 20 1 1 A 6 6 PHE CA C 29 58.000 55.931 2.069 1 1 75 . 20 1 1 A 6 6 PHE CB C 29 39.300 40.011 -0.711 1 1 81 . 20 1 1 A 6 6 PHE N N 29 119.400 116.744 2.656 1 1 82 . 20 1 1 A 7 7 LEU H H 30 8.000 8.650 -0.650 1 1 83 . 20 1 1 A 7 7 LEU HA H 30 4.210 4.538 -0.328 1 1 93 . 20 1 1 A 7 7 LEU C C 30 177.400 176.608 0.792 1 1 94 . 20 1 1 A 7 7 LEU CA C 30 55.400 54.205 1.195 1 1 95 . 20 1 1 A 7 7 LEU CB C 30 42.200 41.889 0.311 1 1 99 . 20 1 1 A 7 7 LEU N N 30 122.100 116.777 5.323 1 1 100 . 20 1 1 A 8 8 SER H H 31 8.130 8.426 -0.296 1 1 101 . 20 1 1 A 8 8 SER HA H 31 4.330 4.595 -0.265 1 1 104 . 20 1 1 A 8 8 SER C C 31 174.900 174.176 0.724 1 1 105 . 20 1 1 A 8 8 SER CA C 31 58.800 58.260 0.540 1 1 106 . 20 1 1 A 8 8 SER CB C 31 63.800 63.989 -0.189 1 1 107 . 20 1 1 A 8 8 SER N N 31 116.000 118.465 -2.465 1 1 108 . 20 1 1 A 9 9 GLU H H 32 8.380 9.092 -0.712 1 1 109 . 20 1 1 A 9 9 GLU HA H 32 4.240 4.333 -0.093 1 1 114 . 20 1 1 A 9 9 GLU C C 32 176.600 176.670 -0.070 1 1 115 . 20 1 1 A 9 9 GLU CA C 32 57.000 57.346 -0.346 1 1 116 . 20 1 1 A 9 9 GLU CB C 32 30.000 28.741 1.259 1 1 118 . 20 1 1 A 9 9 GLU N N 32 122.200 121.018 1.182 1 1 119 . 20 1 1 A 10 10 LEU H H 33 7.990 8.830 -0.840 1 1 120 . 20 1 1 A 10 10 LEU HA H 33 4.220 4.378 -0.158 1 1 130 . 20 1 1 A 10 10 LEU C C 33 177.100 177.444 -0.344 1 1 131 . 20 1 1 A 10 10 LEU CA C 33 55.500 55.389 0.111 1 1 132 . 20 1 1 A 10 10 LEU CB C 33 42.200 41.782 0.418 1 1 136 . 20 1 1 A 10 10 LEU N N 33 121.200 127.676 -6.476 1 1 137 . 20 1 1 A 11 11 ASP H H 34 8.090 8.281 -0.191 1 1 138 . 20 1 1 A 11 11 ASP HA H 34 4.550 4.809 -0.259 1 1 141 . 20 1 1 A 11 11 ASP C C 34 175.400 176.836 -1.436 1 1 142 . 20 1 1 A 11 11 ASP CA C 34 54.200 54.914 -0.714 1 1 143 . 20 1 1 A 11 11 ASP CB C 34 41.300 41.590 -0.290 1 1 144 . 20 1 1 A 11 11 ASP N N 34 120.000 119.139 0.861 1 1 145 . 20 1 1 A 12 12 ALA H H 35 7.950 7.961 -0.011 1 1 146 . 20 1 1 A 12 12 ALA HA H 35 4.510 4.168 0.342 1 1 150 . 20 1 1 A 12 12 ALA CA C 35 50.800 56.924 -6.124 1 1 151 . 20 1 1 A 12 12 ALA CB C 35 18.300 17.756 0.544 1 1 152 . 20 1 1 A 12 12 ALA N N 35 124.600 122.020 2.580 1 1 153 . 20 1 1 A 13 13 PRO HA H 36 4.360 4.626 -0.266 1 1 160 . 20 1 1 A 13 13 PRO C C 36 176.900 176.077 0.823 1 1 161 . 20 1 1 A 13 13 PRO CA C 36 63.200 62.866 0.334 1 1 162 . 20 1 1 A 13 13 PRO CB C 36 32.000 32.702 -0.702 1 1 165 . 20 1 1 A 14 14 ALA H H 37 8.390 8.381 0.009 1 1 166 . 20 1 1 A 14 14 ALA HA H 37 4.230 4.802 -0.572 1 1 170 . 20 1 1 A 14 14 ALA C C 37 177.900 175.416 2.484 1 1 171 . 20 1 1 A 14 14 ALA CA C 37 52.600 51.585 1.015 1 1 172 . 20 1 1 A 14 14 ALA CB C 37 19.300 22.377 -3.077 1 1 173 . 20 1 1 A 14 14 ALA N N 37 123.900 122.964 0.936 1 1 174 . 20 1 1 A 15 15 GLN H H 38 8.330 8.488 -0.158 1 1 175 . 20 1 1 A 15 15 GLN HA H 38 4.280 4.572 -0.292 1 1 182 . 20 1 1 A 15 15 GLN C C 38 175.800 176.883 -1.083 1 1 183 . 20 1 1 A 15 15 GLN CA C 38 55.700 55.356 0.344 1 1 184 . 20 1 1 A 15 15 GLN CB C 38 29.600 30.635 -1.035 1 1 187 . 20 1 1 A 15 15 GLN N N 38 119.300 119.668 -0.368 1 1 189 . 20 1 1 A 16 16 ALA H H 39 8.410 8.159 0.251 1 1 190 . 20 1 1 A 16 16 ALA HA H 39 4.070 3.911 0.159 1 1 194 . 20 1 1 A 16 16 ALA C C 39 178.200 177.547 0.653 1 1 195 . 20 1 1 A 16 16 ALA CA C 39 52.800 54.270 -1.470 1 1 196 . 20 1 1 A 16 16 ALA CB C 39 19.300 18.276 1.024 1 1 197 . 20 1 1 A 16 16 ALA N N 39 125.600 119.371 6.229 1 1 198 . 20 1 1 A 17 17 GLY H H 40 8.510 7.932 0.578 1 1 199 . 20 1 1 A 17 17 GLY HA2 H 40 4.010 3.963 0.047 1 1 200 . 20 1 1 A 17 17 GLY HA3 H 40 4.010 3.966 0.044 1 1 201 . 20 1 1 A 17 17 GLY C C 40 174.600 175.345 -0.745 1 1 202 . 20 1 1 A 17 17 GLY CA C 40 45.400 46.305 -0.905 1 1 203 . 20 1 1 A 17 17 GLY N N 40 108.500 106.121 2.379 1 1 204 . 20 1 1 A 18 18 THR H H 41 8.020 7.951 0.069 1 1 205 . 20 1 1 A 18 18 THR HA H 41 4.320 4.242 0.078 1 1 210 . 20 1 1 A 18 18 THR C C 41 174.900 174.995 -0.095 1 1 211 . 20 1 1 A 18 18 THR CA C 41 62.100 63.178 -1.078 1 1 212 . 20 1 1 A 18 18 THR CB C 41 69.900 69.627 0.273 1 1 214 . 20 1 1 A 18 18 THR N N 41 112.900 111.880 1.020 1 1 215 . 20 1 1 A 19 19 GLU H H 42 8.630 8.183 0.447 1 1 216 . 20 1 1 A 19 19 GLU HA H 42 4.300 4.278 0.022 1 1 221 . 20 1 1 A 19 19 GLU C C 42 176.600 177.261 -0.661 1 1 222 . 20 1 1 A 19 19 GLU CA C 42 56.900 56.576 0.324 1 1 223 . 20 1 1 A 19 19 GLU CB C 42 30.000 28.825 1.175 1 1 225 . 20 1 1 A 19 19 GLU N N 42 123.000 124.630 -1.630 1 1 226 . 20 1 1 A 20 20 SER H H 43 8.330 8.664 -0.334 1 1 227 . 20 1 1 A 20 20 SER HA H 43 4.400 4.515 -0.115 1 1 230 . 20 1 1 A 20 20 SER C C 43 174.300 174.215 0.085 1 1 231 . 20 1 1 A 20 20 SER CA C 43 58.500 58.396 0.104 1 1 232 . 20 1 1 A 20 20 SER CB C 43 63.900 63.867 0.033 1 1 233 . 20 1 1 A 20 20 SER N N 43 116.600 116.463 0.137 1 1 234 . 20 1 1 A 21 21 ALA H H 44 8.320 7.926 0.394 1 1 235 . 20 1 1 A 21 21 ALA HA H 44 4.300 3.929 0.371 1 1 239 . 20 1 1 A 21 21 ALA C C 44 177.700 175.943 1.757 1 1 240 . 20 1 1 A 21 21 ALA CA C 44 52.700 52.852 -0.152 1 1 241 . 20 1 1 A 21 21 ALA CB C 44 19.300 17.373 1.927 1 1 242 . 20 1 1 A 21 21 ALA N N 44 126.000 122.354 3.646 1 1 243 . 20 1 1 A 22 22 VAL H H 45 8.040 7.864 0.176 1 1 244 . 20 1 1 A 22 22 VAL HA H 45 4.100 4.586 -0.486 1 1 252 . 20 1 1 A 22 22 VAL C C 45 176.100 176.493 -0.393 1 1 253 . 20 1 1 A 22 22 VAL CA C 45 62.300 59.745 2.555 1 1 254 . 20 1 1 A 22 22 VAL CB C 45 32.700 33.894 -1.194 1 1 257 . 20 1 1 A 22 22 VAL N N 45 118.100 113.878 4.222 1 1 258 . 20 1 1 A 23 23 SER H H 46 8.370 8.710 -0.340 1 1 259 . 20 1 1 A 23 23 SER HA H 46 4.410 4.165 0.245 1 1 262 . 20 1 1 A 23 23 SER C C 46 174.900 174.915 -0.015 1 1 263 . 20 1 1 A 23 23 SER CA C 46 58.500 61.530 -3.030 1 1 264 . 20 1 1 A 23 23 SER CB C 46 63.900 63.113 0.787 1 1 265 . 20 1 1 A 23 23 SER N N 46 119.100 118.498 0.602 1 1 266 . 20 1 1 A 24 24 GLY H H 47 8.370 7.747 0.623 1 1 267 . 20 1 1 A 24 24 GLY HA2 H 47 3.950 4.038 -0.088 1 1 268 . 20 1 1 A 24 24 GLY HA3 H 47 3.950 4.041 -0.091 1 1 269 . 20 1 1 A 24 24 GLY C C 47 174.200 173.587 0.613 1 1 270 . 20 1 1 A 24 24 GLY CA C 47 45.400 44.612 0.788 1 1 271 . 20 1 1 A 24 24 GLY N N 47 110.500 107.688 2.812 1 1 272 . 20 1 1 A 25 25 VAL H H 48 7.980 8.550 -0.570 1 1 273 . 20 1 1 A 25 25 VAL HA H 48 4.040 4.101 -0.061 1 1 281 . 20 1 1 A 25 25 VAL C C 48 176.100 176.942 -0.842 1 1 282 . 20 1 1 A 25 25 VAL CA C 48 62.200 62.019 0.181 1 1 283 . 20 1 1 A 25 25 VAL CB C 48 32.500 31.753 0.747 1 1 286 . 20 1 1 A 25 25 VAL N N 48 118.100 120.490 -2.390 1 1 287 . 20 1 1 A 26 26 GLU H H 49 8.580 9.000 -0.420 1 1 288 . 20 1 1 A 26 26 GLU HA H 49 4.160 4.058 0.102 1 1 293 . 20 1 1 A 26 26 GLU C C 49 176.900 176.117 0.783 1 1 294 . 20 1 1 A 26 26 GLU CA C 49 57.400 57.233 0.167 1 1 295 . 20 1 1 A 26 26 GLU CB C 49 29.800 27.485 2.315 1 1 297 . 20 1 1 A 26 26 GLU N N 49 123.900 125.648 -1.748 1 1 298 . 20 1 1 A 27 27 GLY H H 50 8.330 8.584 -0.254 1 1 299 . 20 1 1 A 27 27 GLY HA2 H 50 3.890 3.955 -0.065 1 1 300 . 20 1 1 A 27 27 GLY HA3 H 50 3.830 3.960 -0.130 1 1 301 . 20 1 1 A 27 27 GLY C C 50 173.800 174.008 -0.208 1 1 302 . 20 1 1 A 27 27 GLY CA C 50 45.200 44.874 0.326 1 1 303 . 20 1 1 A 27 27 GLY N N 50 109.500 110.223 -0.723 1 1 304 . 20 1 1 A 28 28 LEU H H 51 7.770 8.307 -0.537 1 1 305 . 20 1 1 A 28 28 LEU HA H 51 4.470 4.751 -0.281 1 1 315 . 20 1 1 A 28 28 LEU CA C 51 52.800 52.047 0.753 1 1 316 . 20 1 1 A 28 28 LEU CB C 51 42.200 41.879 0.321 1 1 320 . 20 1 1 A 28 28 LEU N N 51 123.000 117.055 5.945 1 1 321 . 20 1 1 A 29 29 PRO HA H 52 4.660 4.262 0.398 1 1 328 . 20 1 1 A 29 29 PRO CA C 52 61.600 66.103 -4.503 1 1 329 . 20 1 1 A 29 29 PRO CB C 52 30.800 31.210 -0.410 1 1 332 . 20 1 1 A 30 30 PRO HA H 53 4.340 4.214 0.126 1 1 339 . 20 1 1 A 30 30 PRO C C 53 177.500 177.467 0.033 1 1 340 . 20 1 1 A 30 30 PRO CA C 53 63.500 65.840 -2.340 1 1 341 . 20 1 1 A 30 30 PRO CB C 53 32.000 31.016 0.984 1 1 344 . 20 1 1 A 31 31 GLY H H 54 8.690 7.411 1.279 1 1 345 . 20 1 1 A 31 31 GLY HA2 H 54 4.060 4.222 -0.162 1 1 346 . 20 1 1 A 31 31 GLY HA3 H 54 3.660 4.254 -0.594 1 1 347 . 20 1 1 A 31 31 GLY C C 54 172.900 173.067 -0.167 1 1 348 . 20 1 1 A 31 31 GLY CA C 54 45.400 45.935 -0.535 1 1 349 . 20 1 1 A 31 31 GLY N N 54 110.100 104.816 5.284 1 1 350 . 20 1 1 A 32 32 LEU H H 55 7.510 8.500 -0.990 1 1 351 . 20 1 1 A 32 32 LEU HA H 55 4.960 5.074 -0.114 1 1 361 . 20 1 1 A 32 32 LEU C C 55 175.400 175.520 -0.120 1 1 362 . 20 1 1 A 32 32 LEU CA C 55 54.100 53.875 0.225 1 1 363 . 20 1 1 A 32 32 LEU CB C 55 44.400 44.012 0.388 1 1 367 . 20 1 1 A 32 32 LEU N N 55 119.300 122.001 -2.701 1 1 368 . 20 1 1 A 33 33 ALA H H 56 7.840 9.049 -1.209 1 1 369 . 20 1 1 A 33 33 ALA HA H 56 4.500 5.103 -0.603 1 1 373 . 20 1 1 A 33 33 ALA C C 56 178.200 175.247 2.953 1 1 374 . 20 1 1 A 33 33 ALA CA C 56 51.100 49.681 1.419 1 1 375 . 20 1 1 A 33 33 ALA CB C 56 23.900 22.649 1.251 1 1 376 . 20 1 1 A 33 33 ALA N N 56 121.800 125.684 -3.884 1 1 377 . 20 1 1 A 34 34 LEU H H 57 8.640 8.158 0.482 1 1 378 . 20 1 1 A 34 34 LEU HA H 57 4.930 5.005 -0.075 1 1 388 . 20 1 1 A 34 34 LEU C C 57 174.400 175.845 -1.445 1 1 389 . 20 1 1 A 34 34 LEU CA C 57 53.400 53.614 -0.214 1 1 390 . 20 1 1 A 34 34 LEU CB C 57 47.300 45.136 2.164 1 1 394 . 20 1 1 A 34 34 LEU N N 57 119.200 119.603 -0.403 1 1 395 . 20 1 1 A 35 35 LEU H H 58 8.640 8.323 0.317 1 1 396 . 20 1 1 A 35 35 LEU HA H 58 5.440 5.283 0.157 1 1 406 . 20 1 1 A 35 35 LEU C C 58 176.200 175.829 0.371 1 1 407 . 20 1 1 A 35 35 LEU CA C 58 52.600 53.301 -0.701 1 1 408 . 20 1 1 A 35 35 LEU CB C 58 46.000 44.504 1.496 1 1 412 . 20 1 1 A 35 35 LEU N N 58 119.400 122.030 -2.630 1 1 413 . 20 1 1 A 36 36 VAL H H 59 8.960 8.955 0.005 1 1 414 . 20 1 1 A 36 36 VAL HA H 59 4.860 4.762 0.098 1 1 422 . 20 1 1 A 36 36 VAL C C 59 176.400 175.459 0.941 1 1 423 . 20 1 1 A 36 36 VAL CA C 59 59.900 60.109 -0.209 1 1 424 . 20 1 1 A 36 36 VAL CB C 59 34.600 34.955 -0.355 1 1 427 . 20 1 1 A 36 36 VAL N N 59 120.700 123.408 -2.708 1 1 428 . 20 1 1 A 37 37 VAL H H 60 8.830 8.610 0.220 1 1 429 . 20 1 1 A 37 37 VAL HA H 60 4.170 4.110 0.060 1 1 437 . 20 1 1 A 37 37 VAL C C 60 176.000 176.220 -0.220 1 1 438 . 20 1 1 A 37 37 VAL CA C 60 63.900 63.571 0.329 1 1 439 . 20 1 1 A 37 37 VAL CB C 60 31.400 31.105 0.295 1 1 442 . 20 1 1 A 37 37 VAL N N 60 125.700 126.972 -1.272 1 1 443 . 20 1 1 A 38 38 LYS H H 61 9.400 8.801 0.599 1 1 444 . 20 1 1 A 38 38 LYS HA H 61 4.450 4.142 0.308 1 1 453 . 20 1 1 A 38 38 LYS C C 61 176.000 175.831 0.169 1 1 454 . 20 1 1 A 38 38 LYS CA C 61 56.900 58.413 -1.513 1 1 455 . 20 1 1 A 38 38 LYS CB C 61 34.200 33.296 0.904 1 1 459 . 20 1 1 A 38 38 LYS N N 61 131.900 130.054 1.846 1 1 460 . 20 1 1 A 39 39 ARG H H 62 7.990 7.690 0.300 1 1 461 . 20 1 1 A 39 39 ARG HA H 62 4.700 4.784 -0.084 1 1 469 . 20 1 1 A 39 39 ARG C C 62 173.600 174.921 -1.321 1 1 470 . 20 1 1 A 39 39 ARG CA C 62 55.100 54.754 0.346 1 1 471 . 20 1 1 A 39 39 ARG CB C 62 34.100 34.852 -0.752 1 1 474 . 20 1 1 A 39 39 ARG N N 62 117.300 117.171 0.129 1 1 476 . 20 1 1 A 40 40 GLY H H 63 8.480 8.448 0.032 1 1 477 . 20 1 1 A 40 40 GLY HA2 H 63 4.290 4.136 0.154 1 1 478 . 20 1 1 A 40 40 GLY HA3 H 63 3.580 4.267 -0.687 1 1 479 . 20 1 1 A 40 40 GLY CA C 63 43.800 44.610 -0.810 1 1 480 . 20 1 1 A 40 40 GLY N N 63 110.800 108.963 1.837 1 1 481 . 20 1 1 A 41 41 PRO HA H 64 4.300 4.395 -0.095 1 1 488 . 20 1 1 A 41 41 PRO C C 64 175.900 177.432 -1.532 1 1 489 . 20 1 1 A 41 41 PRO CA C 64 64.400 64.546 -0.146 1 1 490 . 20 1 1 A 41 41 PRO CB C 64 31.500 32.033 -0.533 1 1 493 . 20 1 1 A 42 42 ASN H H 65 8.310 8.731 -0.421 1 1 494 . 20 1 1 A 42 42 ASN HA H 65 4.770 4.856 -0.086 1 1 499 . 20 1 1 A 42 42 ASN C C 65 177.500 175.504 1.996 1 1 500 . 20 1 1 A 42 42 ASN CA C 65 52.100 52.385 -0.285 1 1 501 . 20 1 1 A 42 42 ASN CB C 65 36.700 37.843 -1.143 1 1 503 . 20 1 1 A 42 42 ASN N N 65 114.500 114.378 0.122 1 1 505 . 20 1 1 A 43 43 ALA H H 66 7.470 7.167 0.303 1 1 506 . 20 1 1 A 43 43 ALA HA H 66 3.690 4.110 -0.420 1 1 510 . 20 1 1 A 43 43 ALA C C 66 177.800 178.413 -0.613 1 1 511 . 20 1 1 A 43 43 ALA CA C 66 54.200 53.601 0.599 1 1 512 . 20 1 1 A 43 43 ALA CB C 66 17.700 18.978 -1.278 1 1 513 . 20 1 1 A 43 43 ALA N N 66 122.100 123.696 -1.596 1 1 514 . 20 1 1 A 44 44 GLY H H 67 9.120 8.938 0.182 1 1 515 . 20 1 1 A 44 44 GLY HA2 H 67 4.440 4.038 0.402 1 1 516 . 20 1 1 A 44 44 GLY HA3 H 67 3.490 4.041 -0.551 1 1 517 . 20 1 1 A 44 44 GLY C C 67 174.900 174.531 0.369 1 1 518 . 20 1 1 A 44 44 GLY CA C 67 44.600 44.880 -0.280 1 1 519 . 20 1 1 A 44 44 GLY N N 67 111.800 110.711 1.089 1 1 520 . 20 1 1 A 45 45 SER H H 68 8.090 7.714 0.376 1 1 521 . 20 1 1 A 45 45 SER HA H 68 4.280 4.377 -0.097 1 1 524 . 20 1 1 A 45 45 SER C C 68 171.500 173.764 -2.264 1 1 525 . 20 1 1 A 45 45 SER CA C 68 60.500 59.282 1.218 1 1 526 . 20 1 1 A 45 45 SER CB C 68 63.800 63.730 0.070 1 1 527 . 20 1 1 A 45 45 SER N N 68 117.400 117.762 -0.362 1 1 528 . 20 1 1 A 46 46 ARG H H 69 8.120 8.659 -0.539 1 1 529 . 20 1 1 A 46 46 ARG HA H 69 5.140 5.135 0.005 1 1 537 . 20 1 1 A 46 46 ARG C C 69 174.600 173.719 0.881 1 1 538 . 20 1 1 A 46 46 ARG CA C 69 54.200 53.858 0.342 1 1 539 . 20 1 1 A 46 46 ARG CB C 69 33.900 34.047 -0.147 1 1 542 . 20 1 1 A 46 46 ARG N N 69 119.800 120.764 -0.964 1 1 544 . 20 1 1 A 47 47 PHE H H 70 9.180 8.395 0.785 1 1 545 . 20 1 1 A 47 47 PHE HA H 70 4.720 4.960 -0.240 1 1 553 . 20 1 1 A 47 47 PHE C C 70 173.900 174.187 -0.287 1 1 554 . 20 1 1 A 47 47 PHE CA C 70 56.400 56.688 -0.288 1 1 555 . 20 1 1 A 47 47 PHE CB C 70 41.500 43.199 -1.699 1 1 561 . 20 1 1 A 47 47 PHE N N 70 120.800 117.667 3.133 1 1 562 . 20 1 1 A 48 48 LEU H H 71 8.720 9.429 -0.709 1 1 563 . 20 1 1 A 48 48 LEU HA H 71 4.450 4.941 -0.491 1 1 573 . 20 1 1 A 48 48 LEU C C 71 176.300 175.017 1.283 1 1 574 . 20 1 1 A 48 48 LEU CA C 71 54.900 53.798 1.102 1 1 575 . 20 1 1 A 48 48 LEU CB C 71 43.200 44.445 -1.245 1 1 579 . 20 1 1 A 48 48 LEU N N 71 125.300 124.346 0.954 1 1 580 . 20 1 1 A 49 49 LEU H H 72 8.730 8.803 -0.073 1 1 581 . 20 1 1 A 49 49 LEU HA H 72 4.770 4.593 0.177 1 1 591 . 20 1 1 A 49 49 LEU C C 72 174.800 176.924 -2.124 1 1 592 . 20 1 1 A 49 49 LEU CA C 72 53.200 54.374 -1.174 1 1 593 . 20 1 1 A 49 49 LEU CB C 72 40.900 40.068 0.832 1 1 597 . 20 1 1 A 49 49 LEU N N 72 126.900 128.348 -1.448 1 1 598 . 20 1 1 A 50 50 ASP H H 73 8.350 8.212 0.138 1 1 599 . 20 1 1 A 50 50 ASP HA H 73 4.790 4.788 0.002 1 1 602 . 20 1 1 A 50 50 ASP C C 73 175.600 175.275 0.325 1 1 603 . 20 1 1 A 50 50 ASP CA C 73 53.000 53.507 -0.507 1 1 604 . 20 1 1 A 50 50 ASP CB C 73 41.400 40.186 1.214 1 1 605 . 20 1 1 A 50 50 ASP N N 73 120.400 121.079 -0.679 1 1 606 . 20 1 1 A 51 51 GLN H H 74 7.670 7.531 0.139 1 1 607 . 20 1 1 A 51 51 GLN HA H 74 4.660 4.876 -0.216 1 1 614 . 20 1 1 A 51 51 GLN C C 74 175.400 174.993 0.407 1 1 615 . 20 1 1 A 51 51 GLN CA C 74 53.700 54.021 -0.321 1 1 616 . 20 1 1 A 51 51 GLN CB C 74 31.300 32.370 -1.070 1 1 619 . 20 1 1 A 51 51 GLN N N 74 116.200 120.631 -4.431 1 1 621 . 20 1 1 A 52 52 ALA H H 75 8.720 8.612 0.108 1 1 622 . 20 1 1 A 52 52 ALA HA H 75 4.170 4.085 0.085 1 1 626 . 20 1 1 A 52 52 ALA C C 75 178.300 177.927 0.373 1 1 627 . 20 1 1 A 52 52 ALA CA C 75 55.700 53.037 2.663 1 1 628 . 20 1 1 A 52 52 ALA CB C 75 18.500 18.824 -0.324 1 1 629 . 20 1 1 A 52 52 ALA N N 75 123.200 127.958 -4.758 1 1 630 . 20 1 1 A 53 53 ILE H H 76 8.030 8.757 -0.727 1 1 631 . 20 1 1 A 53 53 ILE HA H 76 4.650 4.087 0.563 1 1 641 . 20 1 1 A 53 53 ILE C C 76 175.100 175.099 0.001 1 1 642 . 20 1 1 A 53 53 ILE CA C 76 61.100 61.682 -0.582 1 1 643 . 20 1 1 A 53 53 ILE CB C 76 40.500 36.879 3.621 1 1 647 . 20 1 1 A 53 53 ILE N N 76 115.400 118.904 -3.504 1 1 648 . 20 1 1 A 54 54 THR H H 77 8.840 8.304 0.536 1 1 649 . 20 1 1 A 54 54 THR HA H 77 4.940 4.664 0.276 1 1 654 . 20 1 1 A 54 54 THR C C 77 174.600 174.110 0.490 1 1 655 . 20 1 1 A 54 54 THR CA C 77 61.400 62.157 -0.757 1 1 656 . 20 1 1 A 54 54 THR CB C 77 70.300 69.784 0.516 1 1 658 . 20 1 1 A 54 54 THR N N 77 125.300 119.040 6.260 1 1 659 . 20 1 1 A 55 55 SER H H 78 10.690 8.873 1.817 1 1 660 . 20 1 1 A 55 55 SER HA H 78 4.720 4.945 -0.225 1 1 663 . 20 1 1 A 55 55 SER C C 78 172.600 173.983 -1.383 1 1 664 . 20 1 1 A 55 55 SER CA C 78 57.800 58.237 -0.437 1 1 665 . 20 1 1 A 55 55 SER CB C 78 65.200 64.462 0.738 1 1 666 . 20 1 1 A 55 55 SER N N 78 126.300 123.649 2.651 1 1 667 . 20 1 1 A 56 56 ALA H H 79 8.840 8.442 0.398 1 1 668 . 20 1 1 A 56 56 ALA HA H 79 5.720 5.438 0.282 1 1 672 . 20 1 1 A 56 56 ALA C C 79 175.800 175.879 -0.079 1 1 673 . 20 1 1 A 56 56 ALA CA C 79 49.800 50.774 -0.974 1 1 674 . 20 1 1 A 56 56 ALA CB C 79 21.900 22.642 -0.742 1 1 675 . 20 1 1 A 56 56 ALA N N 79 123.200 124.244 -1.044 1 1 676 . 20 1 1 A 57 57 GLY H H 80 8.410 8.179 0.231 1 1 677 . 20 1 1 A 57 57 GLY HA2 H 80 4.400 4.024 0.376 1 1 678 . 20 1 1 A 57 57 GLY HA3 H 80 3.970 4.087 -0.117 1 1 679 . 20 1 1 A 57 57 GLY C C 80 174.800 171.748 3.052 1 1 680 . 20 1 1 A 57 57 GLY CA C 80 46.300 44.983 1.317 1 1 681 . 20 1 1 A 57 57 GLY N N 80 108.700 108.022 0.678 1 1 682 . 20 1 1 A 58 58 ARG H H 81 8.330 8.081 0.249 1 1 683 . 20 1 1 A 58 58 ARG HA H 81 4.440 4.956 -0.516 1 1 690 . 20 1 1 A 58 58 ARG C C 81 176.400 175.102 1.298 1 1 691 . 20 1 1 A 58 58 ARG CA C 81 54.700 55.248 -0.548 1 1 692 . 20 1 1 A 58 58 ARG CB C 81 32.300 32.319 -0.019 1 1 695 . 20 1 1 A 58 58 ARG N N 81 120.400 122.279 -1.879 1 1 696 . 20 1 1 A 59 59 HIS H H 82 9.040 9.158 -0.118 1 1 697 . 20 1 1 A 59 59 HIS HA H 82 4.280 5.046 -0.766 1 1 702 . 20 1 1 A 59 59 HIS CA C 82 56.800 54.265 2.535 1 1 703 . 20 1 1 A 59 59 HIS CB C 82 30.900 30.608 0.292 1 1 705 . 20 1 1 A 59 59 HIS N N 82 124.300 118.622 5.678 1 1 708 . 20 1 1 A 60 60 PRO HA H 83 3.640 4.258 -0.618 1 1 715 . 20 1 1 A 60 60 PRO C C 83 177.000 175.979 1.021 1 1 716 . 20 1 1 A 60 60 PRO CA C 83 64.800 64.753 0.047 1 1 717 . 20 1 1 A 60 60 PRO CB C 83 31.700 32.215 -0.515 1 1 720 . 20 1 1 A 61 61 ASP H H 84 11.140 8.049 3.091 1 1 721 . 20 1 1 A 61 61 ASP HA H 84 4.700 4.788 -0.088 1 1 724 . 20 1 1 A 61 61 ASP C C 84 177.400 174.726 2.674 1 1 725 . 20 1 1 A 61 61 ASP CA C 84 53.900 52.935 0.965 1 1 726 . 20 1 1 A 61 61 ASP CB C 84 40.500 42.047 -1.547 1 1 727 . 20 1 1 A 61 61 ASP N N 84 121.600 118.180 3.420 1 1 728 . 20 1 1 A 62 62 SER H H 85 8.190 8.760 -0.570 1 1 729 . 20 1 1 A 62 62 SER HA H 85 4.030 4.113 -0.083 1 1 733 . 20 1 1 A 62 62 SER C C 85 173.400 174.492 -1.092 1 1 734 . 20 1 1 A 62 62 SER CA C 85 60.400 58.639 1.761 1 1 735 . 20 1 1 A 62 62 SER CB C 85 65.200 61.712 3.488 1 1 736 . 20 1 1 A 62 62 SER N N 85 118.100 115.947 2.153 1 1 737 . 20 1 1 A 63 63 ASP H H 86 8.270 8.775 -0.505 1 1 738 . 20 1 1 A 63 63 ASP HA H 86 4.390 4.481 -0.091 1 1 741 . 20 1 1 A 63 63 ASP C C 86 177.200 176.406 0.794 1 1 742 . 20 1 1 A 63 63 ASP CA C 86 58.300 56.996 1.304 1 1 743 . 20 1 1 A 63 63 ASP CB C 86 42.100 40.859 1.241 1 1 744 . 20 1 1 A 63 63 ASP N N 86 125.600 126.719 -1.119 1 1 745 . 20 1 1 A 64 64 ILE H H 87 8.470 7.561 0.909 1 1 746 . 20 1 1 A 64 64 ILE HA H 87 3.560 2.903 0.657 1 1 756 . 20 1 1 A 64 64 ILE C C 87 172.900 174.988 -2.088 1 1 757 . 20 1 1 A 64 64 ILE CA C 87 60.500 61.010 -0.510 1 1 758 . 20 1 1 A 64 64 ILE CB C 87 37.400 37.895 -0.495 1 1 762 . 20 1 1 A 64 64 ILE N N 87 119.500 119.002 0.498 1 1 763 . 20 1 1 A 65 65 PHE H H 88 8.100 8.621 -0.521 1 1 764 . 20 1 1 A 65 65 PHE HA H 88 5.010 5.180 -0.170 1 1 772 . 20 1 1 A 65 65 PHE C C 88 174.000 173.771 0.229 1 1 773 . 20 1 1 A 65 65 PHE CA C 88 55.600 56.187 -0.587 1 1 774 . 20 1 1 A 65 65 PHE CB C 88 38.800 40.371 -1.571 1 1 779 . 20 1 1 A 65 65 PHE N N 88 127.100 128.110 -1.010 1 1 780 . 20 1 1 A 66 66 LEU H H 89 7.710 8.641 -0.931 1 1 781 . 20 1 1 A 66 66 LEU HA H 89 3.620 4.482 -0.862 1 1 791 . 20 1 1 A 66 66 LEU C C 89 173.500 174.192 -0.692 1 1 792 . 20 1 1 A 66 66 LEU CA C 89 52.100 53.712 -1.612 1 1 793 . 20 1 1 A 66 66 LEU CB C 89 41.300 41.495 -0.195 1 1 797 . 20 1 1 A 66 66 LEU N N 89 131.900 129.319 2.581 1 1 798 . 20 1 1 A 67 67 ASP H H 90 7.980 8.506 -0.526 1 1 799 . 20 1 1 A 67 67 ASP HA H 90 4.260 4.491 -0.231 1 1 802 . 20 1 1 A 67 67 ASP C C 90 174.800 174.411 0.389 1 1 803 . 20 1 1 A 67 67 ASP CA C 90 53.100 53.136 -0.036 1 1 804 . 20 1 1 A 67 67 ASP CB C 90 39.900 40.258 -0.358 1 1 805 . 20 1 1 A 67 67 ASP N N 90 120.000 125.926 -5.926 1 1 806 . 20 1 1 A 68 68 ASP H H 91 7.480 7.835 -0.355 1 1 807 . 20 1 1 A 68 68 ASP HA H 91 4.850 5.062 -0.212 1 1 810 . 20 1 1 A 68 68 ASP C C 91 175.600 175.609 -0.009 1 1 811 . 20 1 1 A 68 68 ASP CA C 91 54.900 53.552 1.348 1 1 812 . 20 1 1 A 68 68 ASP CB C 91 48.500 44.214 4.286 1 1 813 . 20 1 1 A 68 68 ASP N N 91 121.400 124.584 -3.184 1 1 814 . 20 1 1 A 69 69 VAL H H 92 8.370 8.794 -0.424 1 1 815 . 20 1 1 A 69 69 VAL HA H 92 4.060 3.867 0.193 1 1 823 . 20 1 1 A 69 69 VAL C C 92 175.900 177.957 -2.057 1 1 824 . 20 1 1 A 69 69 VAL CA C 92 64.800 65.266 -0.466 1 1 825 . 20 1 1 A 69 69 VAL CB C 92 31.700 31.610 0.090 1 1 828 . 20 1 1 A 69 69 VAL N N 92 121.900 124.200 -2.300 1 1 829 . 20 1 1 A 70 70 THR H H 93 8.360 7.616 0.744 1 1 830 . 20 1 1 A 70 70 THR HA H 93 4.060 4.171 -0.111 1 1 836 . 20 1 1 A 70 70 THR C C 93 175.100 174.820 0.280 1 1 837 . 20 1 1 A 70 70 THR CA C 93 63.700 65.620 -1.920 1 1 838 . 20 1 1 A 70 70 THR CB C 93 70.300 68.607 1.693 1 1 840 . 20 1 1 A 70 70 THR N N 93 111.100 112.297 -1.197 1 1 841 . 20 1 1 A 71 71 VAL H H 94 8.240 7.710 0.530 1 1 842 . 20 1 1 A 71 71 VAL HA H 94 4.520 4.137 0.383 1 1 850 . 20 1 1 A 71 71 VAL C C 94 176.800 175.021 1.779 1 1 851 . 20 1 1 A 71 71 VAL CA C 94 61.200 61.392 -0.192 1 1 852 . 20 1 1 A 71 71 VAL CB C 94 33.500 32.373 1.127 1 1 855 . 20 1 1 A 71 71 VAL N N 94 125.500 123.883 1.617 1 1 856 . 20 1 1 A 72 72 SER H H 95 11.410 8.855 2.555 1 1 857 . 20 1 1 A 72 72 SER HA H 95 4.670 4.561 0.109 1 1 860 . 20 1 1 A 72 72 SER C C 95 174.500 175.807 -1.307 1 1 861 . 20 1 1 A 72 72 SER CA C 95 60.600 57.943 2.657 1 1 862 . 20 1 1 A 72 72 SER CB C 95 64.200 64.383 -0.183 1 1 863 . 20 1 1 A 72 72 SER N N 95 126.800 122.763 4.037 1 1 864 . 20 1 1 A 73 73 ARG H H 96 9.260 8.827 0.433 1 1 865 . 20 1 1 A 73 73 ARG HA H 96 3.770 3.976 -0.206 1 1 873 . 20 1 1 A 73 73 ARG C C 96 176.600 176.188 0.412 1 1 874 . 20 1 1 A 73 73 ARG CA C 96 61.300 59.162 2.138 1 1 875 . 20 1 1 A 73 73 ARG CB C 96 29.800 30.073 -0.273 1 1 878 . 20 1 1 A 73 73 ARG N N 96 124.600 123.824 0.776 1 1 880 . 20 1 1 A 74 74 ARG H H 97 7.800 7.876 -0.076 1 1 881 . 20 1 1 A 74 74 ARG HA H 97 4.440 4.572 -0.132 1 1 889 . 20 1 1 A 74 74 ARG C C 97 173.100 175.971 -2.871 1 1 890 . 20 1 1 A 74 74 ARG CA C 97 54.800 54.965 -0.165 1 1 891 . 20 1 1 A 74 74 ARG CB C 97 29.300 30.819 -1.519 1 1 894 . 20 1 1 A 74 74 ARG N N 97 114.800 117.213 -2.413 1 1 896 . 20 1 1 A 75 75 HIS H H 98 7.840 8.313 -0.473 1 1 897 . 20 1 1 A 75 75 HIS HA H 98 4.430 4.549 -0.119 1 1 903 . 20 1 1 A 75 75 HIS C C 98 173.800 174.854 -1.054 1 1 904 . 20 1 1 A 75 75 HIS CA C 98 57.800 57.601 0.199 1 1 905 . 20 1 1 A 75 75 HIS CB C 98 35.000 31.071 3.929 1 1 908 . 20 1 1 A 75 75 HIS N N 98 124.400 125.048 -0.648 1 1 910 . 20 1 1 A 76 76 ALA H H 99 8.490 7.706 0.784 1 1 911 . 20 1 1 A 76 76 ALA HA H 99 5.580 4.591 0.989 1 1 915 . 20 1 1 A 76 76 ALA C C 99 176.500 174.926 1.574 1 1 916 . 20 1 1 A 76 76 ALA CA C 99 50.300 51.380 -1.080 1 1 917 . 20 1 1 A 76 76 ALA CB C 99 23.200 22.704 0.496 1 1 918 . 20 1 1 A 76 76 ALA N N 99 116.600 119.125 -2.525 1 1 919 . 20 1 1 A 77 77 GLU H H 100 9.030 8.486 0.544 1 1 920 . 20 1 1 A 77 77 GLU HA H 100 5.030 4.985 0.045 1 1 925 . 20 1 1 A 77 77 GLU C C 100 174.100 174.453 -0.353 1 1 926 . 20 1 1 A 77 77 GLU CA C 100 54.500 55.152 -0.652 1 1 927 . 20 1 1 A 77 77 GLU CB C 100 34.900 33.510 1.390 1 1 929 . 20 1 1 A 77 77 GLU N N 100 118.100 121.152 -3.052 1 1 930 . 20 1 1 A 78 78 PHE H H 101 9.400 9.254 0.146 1 1 931 . 20 1 1 A 78 78 PHE HA H 101 5.400 5.311 0.089 1 1 939 . 20 1 1 A 78 78 PHE C C 101 176.500 174.819 1.681 1 1 940 . 20 1 1 A 78 78 PHE CA C 101 56.700 56.964 -0.264 1 1 941 . 20 1 1 A 78 78 PHE CB C 101 41.000 40.900 0.100 1 1 946 . 20 1 1 A 78 78 PHE N N 101 119.600 125.331 -5.731 1 1 947 . 20 1 1 A 79 79 ARG H H 102 9.720 8.617 1.103 1 1 948 . 20 1 1 A 79 79 ARG HA H 102 5.490 5.017 0.473 1 1 956 . 20 1 1 A 79 79 ARG C C 102 174.300 174.160 0.140 1 1 957 . 20 1 1 A 79 79 ARG CA C 102 54.800 54.814 -0.014 1 1 958 . 20 1 1 A 79 79 ARG CB C 102 33.100 33.125 -0.025 1 1 961 . 20 1 1 A 79 79 ARG N N 102 126.100 123.558 2.542 1 1 963 . 20 1 1 A 80 80 LEU H H 103 9.020 8.852 0.168 1 1 964 . 20 1 1 A 80 80 LEU HA H 103 4.400 4.813 -0.413 1 1 974 . 20 1 1 A 80 80 LEU C C 103 176.100 175.092 1.008 1 1 975 . 20 1 1 A 80 80 LEU CA C 103 54.100 53.745 0.355 1 1 976 . 20 1 1 A 80 80 LEU CB C 103 42.600 44.064 -1.464 1 1 980 . 20 1 1 A 80 80 LEU N N 103 128.000 125.440 2.560 1 1 981 . 20 1 1 A 81 81 GLU H H 104 8.860 8.615 0.245 1 1 982 . 20 1 1 A 81 81 GLU HA H 104 4.430 4.407 0.023 1 1 987 . 20 1 1 A 81 81 GLU C C 104 175.800 177.173 -1.373 1 1 988 . 20 1 1 A 81 81 GLU CA C 104 55.500 55.278 0.222 1 1 989 . 20 1 1 A 81 81 GLU CB C 104 32.600 29.969 2.631 1 1 991 . 20 1 1 A 81 81 GLU N N 104 128.600 126.903 1.697 1 1 992 . 20 1 1 A 82 82 ASN H H 105 9.410 8.769 0.641 1 1 993 . 20 1 1 A 82 82 ASN HA H 105 4.200 4.459 -0.259 1 1 998 . 20 1 1 A 82 82 ASN C C 105 174.300 175.482 -1.182 1 1 999 . 20 1 1 A 82 82 ASN CA C 105 54.700 55.892 -1.192 1 1 1000 . 20 1 1 A 82 82 ASN CB C 105 37.200 39.088 -1.888 1 1 1002 . 20 1 1 A 82 82 ASN N N 105 124.600 121.159 3.441 1 1 1004 . 20 1 1 A 83 83 ASN H H 106 8.640 7.803 0.837 1 1 1005 . 20 1 1 A 83 83 ASN HA H 106 4.010 4.810 -0.800 1 1 1010 . 20 1 1 A 83 83 ASN C C 106 173.100 175.303 -2.203 1 1 1011 . 20 1 1 A 83 83 ASN CA C 106 54.900 52.428 2.472 1 1 1012 . 20 1 1 A 83 83 ASN CB C 106 38.100 38.747 -0.647 1 1 1014 . 20 1 1 A 83 83 ASN N N 106 108.900 116.125 -7.225 1 1 1016 . 20 1 1 A 84 84 GLU H H 107 7.660 8.005 -0.345 1 1 1017 . 20 1 1 A 84 84 GLU HA H 107 4.660 4.668 -0.008 1 1 1022 . 20 1 1 A 84 84 GLU C C 107 174.300 176.723 -2.423 1 1 1023 . 20 1 1 A 84 84 GLU CA C 107 54.700 55.541 -0.841 1 1 1024 . 20 1 1 A 84 84 GLU CB C 107 32.900 31.764 1.136 1 1 1026 . 20 1 1 A 84 84 GLU N N 107 118.300 119.719 -1.419 1 1 1027 . 20 1 1 A 85 85 PHE H H 108 9.690 7.902 1.788 1 1 1028 . 20 1 1 A 85 85 PHE HA H 108 5.000 4.619 0.381 1 1 1035 . 20 1 1 A 85 85 PHE C C 108 174.500 173.797 0.703 1 1 1036 . 20 1 1 A 85 85 PHE CA C 108 58.600 59.152 -0.552 1 1 1037 . 20 1 1 A 85 85 PHE CB C 108 41.800 37.879 3.921 1 1 1042 . 20 1 1 A 85 85 PHE N N 108 121.100 117.762 3.338 1 1 1043 . 20 1 1 A 86 86 ASN H H 109 9.180 9.357 -0.177 1 1 1044 . 20 1 1 A 86 86 ASN HA H 109 5.580 5.395 0.185 1 1 1049 . 20 1 1 A 86 86 ASN C C 109 175.000 173.695 1.305 1 1 1050 . 20 1 1 A 86 86 ASN CA C 109 51.200 52.449 -1.249 1 1 1051 . 20 1 1 A 86 86 ASN CB C 109 42.100 43.271 -1.171 1 1 1053 . 20 1 1 A 86 86 ASN N N 109 119.400 119.758 -0.358 1 1 1055 . 20 1 1 A 87 87 VAL H H 110 9.060 8.716 0.344 1 1 1056 . 20 1 1 A 87 87 VAL HA H 110 4.940 4.817 0.123 1 1 1064 . 20 1 1 A 87 87 VAL C C 110 171.700 173.228 -1.528 1 1 1065 . 20 1 1 A 87 87 VAL CA C 110 58.400 59.580 -1.180 1 1 1066 . 20 1 1 A 87 87 VAL CB C 110 33.800 35.447 -1.647 1 1 1069 . 20 1 1 A 87 87 VAL N N 110 121.300 119.770 1.530 1 1 1070 . 20 1 1 A 88 88 VAL H H 111 8.640 8.621 0.019 1 1 1071 . 20 1 1 A 88 88 VAL HA H 111 4.590 4.632 -0.042 1 1 1079 . 20 1 1 A 88 88 VAL C C 111 175.700 175.720 -0.020 1 1 1080 . 20 1 1 A 88 88 VAL CA C 111 60.100 59.635 0.465 1 1 1081 . 20 1 1 A 88 88 VAL CB C 111 36.200 35.443 0.757 1 1 1084 . 20 1 1 A 88 88 VAL N N 111 125.500 126.922 -1.422 1 1 1085 . 20 1 1 A 89 89 ASP H H 112 8.480 7.651 0.829 1 1 1086 . 20 1 1 A 89 89 ASP HA H 112 4.870 4.633 0.237 1 1 1089 . 20 1 1 A 89 89 ASP C C 112 177.200 176.911 0.289 1 1 1090 . 20 1 1 A 89 89 ASP CA C 112 54.700 52.935 1.765 1 1 1091 . 20 1 1 A 89 89 ASP CB C 112 43.600 39.978 3.622 1 1 1092 . 20 1 1 A 89 89 ASP N N 112 126.600 123.095 3.505 1 1 1093 . 20 1 1 A 90 90 VAL H H 113 7.980 8.003 -0.023 1 1 1094 . 20 1 1 A 90 90 VAL HA H 113 4.540 3.655 0.885 1 1 1102 . 20 1 1 A 90 90 VAL C C 113 174.400 174.935 -0.535 1 1 1103 . 20 1 1 A 90 90 VAL CA C 113 60.300 63.198 -2.898 1 1 1104 . 20 1 1 A 90 90 VAL CB C 113 29.500 30.761 -1.261 1 1 1107 . 20 1 1 A 90 90 VAL N N 113 119.700 118.217 1.483 1 1 1108 . 20 1 1 A 91 91 GLY H H 114 8.600 8.054 0.546 1 1 1109 . 20 1 1 A 91 91 GLY HA2 H 114 4.260 3.983 0.277 1 1 1110 . 20 1 1 A 91 91 GLY HA3 H 114 3.720 3.988 -0.268 1 1 1111 . 20 1 1 A 91 91 GLY C C 114 175.300 173.766 1.534 1 1 1112 . 20 1 1 A 91 91 GLY CA C 114 45.700 44.103 1.597 1 1 1113 . 20 1 1 A 91 91 GLY N N 114 111.300 109.550 1.750 1 1 1114 . 20 1 1 A 92 92 SER H H 115 9.190 8.670 0.520 1 1 1115 . 20 1 1 A 92 92 SER HA H 115 3.890 4.447 -0.557 1 1 1118 . 20 1 1 A 92 92 SER C C 115 174.500 173.022 1.478 1 1 1119 . 20 1 1 A 92 92 SER CA C 115 58.600 59.840 -1.240 1 1 1120 . 20 1 1 A 92 92 SER CB C 115 61.300 62.047 -0.747 1 1 1121 . 20 1 1 A 92 92 SER N N 115 121.000 114.499 6.501 1 1 1122 . 20 1 1 A 93 93 LEU H H 116 7.720 8.312 -0.592 1 1 1123 . 20 1 1 A 93 93 LEU HA H 116 4.250 4.205 0.045 1 1 1133 . 20 1 1 A 93 93 LEU C C 116 179.100 177.160 1.940 1 1 1134 . 20 1 1 A 93 93 LEU CA C 116 57.200 55.638 1.562 1 1 1135 . 20 1 1 A 93 93 LEU CB C 116 42.100 42.553 -0.453 1 1 1139 . 20 1 1 A 93 93 LEU N N 116 120.500 125.575 -5.075 1 1 1140 . 20 1 1 A 94 94 ASN H H 117 8.450 9.071 -0.621 1 1 1141 . 20 1 1 A 94 94 ASN HA H 117 4.870 4.449 0.421 1 1 1146 . 20 1 1 A 94 94 ASN C C 117 175.800 175.171 0.629 1 1 1147 . 20 1 1 A 94 94 ASN CA C 117 54.000 54.099 -0.099 1 1 1148 . 20 1 1 A 94 94 ASN CB C 117 40.100 37.819 2.281 1 1 1150 . 20 1 1 A 94 94 ASN N N 117 112.500 124.271 -11.771 1 1 1152 . 20 1 1 A 95 95 GLY H H 118 7.940 8.066 -0.126 1 1 1153 . 20 1 1 A 95 95 GLY HA2 H 118 4.190 3.890 0.300 1 1 1154 . 20 1 1 A 95 95 GLY HA3 H 118 3.610 4.029 -0.419 1 1 1155 . 20 1 1 A 95 95 GLY C C 118 174.000 173.863 0.137 1 1 1156 . 20 1 1 A 95 95 GLY CA C 118 44.300 44.280 0.020 1 1 1157 . 20 1 1 A 95 95 GLY N N 118 109.800 107.193 2.607 1 1 1158 . 20 1 1 A 96 96 THR H H 119 8.940 8.539 0.401 1 1 1159 . 20 1 1 A 96 96 THR HA H 119 3.820 4.310 -0.490 1 1 1165 . 20 1 1 A 96 96 THR C C 119 172.300 174.029 -1.729 1 1 1166 . 20 1 1 A 96 96 THR CA C 119 64.100 63.172 0.928 1 1 1167 . 20 1 1 A 96 96 THR CB C 119 70.200 69.365 0.835 1 1 1169 . 20 1 1 A 96 96 THR N N 119 122.000 116.680 5.320 1 1 1170 . 20 1 1 A 97 97 TYR H H 120 8.220 8.288 -0.068 1 1 1171 . 20 1 1 A 97 97 TYR HA H 120 5.340 5.510 -0.170 1 1 1178 . 20 1 1 A 97 97 TYR C C 120 175.900 172.080 3.820 1 1 1179 . 20 1 1 A 97 97 TYR CA C 120 55.600 55.597 0.003 1 1 1180 . 20 1 1 A 97 97 TYR CB C 120 41.400 41.701 -0.301 1 1 1185 . 20 1 1 A 97 97 TYR N N 120 122.800 122.504 0.296 1 1 1186 . 20 1 1 A 98 98 VAL H H 121 9.040 8.807 0.233 1 1 1187 . 20 1 1 A 98 98 VAL HA H 121 5.010 4.774 0.236 1 1 1195 . 20 1 1 A 98 98 VAL C C 121 176.900 175.734 1.166 1 1 1196 . 20 1 1 A 98 98 VAL CA C 121 61.100 59.770 1.330 1 1 1197 . 20 1 1 A 98 98 VAL CB C 121 33.000 34.250 -1.250 1 1 1200 . 20 1 1 A 98 98 VAL N N 121 121.400 121.118 0.282 1 1 1201 . 20 1 1 A 99 99 ASN H H 122 10.100 9.056 1.044 1 1 1202 . 20 1 1 A 99 99 ASN HA H 122 4.440 4.744 -0.304 1 1 1207 . 20 1 1 A 99 99 ASN C C 122 174.500 176.145 -1.645 1 1 1208 . 20 1 1 A 99 99 ASN CA C 122 55.000 54.141 0.859 1 1 1209 . 20 1 1 A 99 99 ASN CB C 122 37.000 38.166 -1.166 1 1 1211 . 20 1 1 A 99 99 ASN N N 122 129.400 128.397 1.003 1 1 1213 . 20 1 1 A 100 100 ARG H H 123 9.290 8.723 0.567 1 1 1214 . 20 1 1 A 100 100 ARG HA H 123 3.680 4.265 -0.585 1 1 1222 . 20 1 1 A 100 100 ARG C C 123 175.200 176.406 -1.206 1 1 1223 . 20 1 1 A 100 100 ARG CA C 123 58.100 58.360 -0.260 1 1 1224 . 20 1 1 A 100 100 ARG CB C 123 27.600 29.937 -2.337 1 1 1227 . 20 1 1 A 100 100 ARG N N 123 106.100 122.471 -16.371 1 1 1229 . 20 1 1 A 101 101 GLU H H 124 7.970 7.819 0.151 1 1 1230 . 20 1 1 A 101 101 GLU HA H 124 5.110 4.519 0.591 1 1 1235 . 20 1 1 A 101 101 GLU CA C 124 53.000 53.158 -0.158 1 1 1236 . 20 1 1 A 101 101 GLU CB C 124 30.900 30.256 0.644 1 1 1238 . 20 1 1 A 101 101 GLU N N 124 121.300 119.707 1.593 1 1 1239 . 20 1 1 A 102 102 PRO HA H 125 4.050 4.896 -0.846 1 1 1246 . 20 1 1 A 102 102 PRO C C 125 177.500 176.605 0.895 1 1 1247 . 20 1 1 A 102 102 PRO CA C 125 62.300 62.481 -0.181 1 1 1248 . 20 1 1 A 102 102 PRO CB C 125 31.300 31.751 -0.451 1 1 1251 . 20 1 1 A 103 103 VAL H H 126 8.330 8.288 0.042 1 1 1252 . 20 1 1 A 103 103 VAL HA H 126 4.700 4.852 -0.152 1 1 1260 . 20 1 1 A 103 103 VAL C C 126 174.500 175.561 -1.061 1 1 1261 . 20 1 1 A 103 103 VAL CA C 126 58.900 59.382 -0.482 1 1 1262 . 20 1 1 A 103 103 VAL CB C 126 35.300 35.625 -0.325 1 1 1265 . 20 1 1 A 103 103 VAL N N 126 115.000 117.449 -2.449 1 1 1266 . 20 1 1 A 104 104 ASP H H 127 8.520 8.940 -0.420 1 1 1267 . 20 1 1 A 104 104 ASP HA H 127 4.780 4.487 0.293 1 1 1270 . 20 1 1 A 104 104 ASP C C 127 176.200 176.346 -0.146 1 1 1271 . 20 1 1 A 104 104 ASP CA C 127 55.800 55.401 0.399 1 1 1272 . 20 1 1 A 104 104 ASP CB C 127 41.100 40.945 0.155 1 1 1273 . 20 1 1 A 104 104 ASP N N 127 120.800 121.735 -0.935 1 1 1274 . 20 1 1 A 105 105 SER H H 128 7.650 7.807 -0.157 1 1 1275 . 20 1 1 A 105 105 SER HA H 128 5.440 4.837 0.603 1 1 1278 . 20 1 1 A 105 105 SER C C 128 173.400 172.736 0.664 1 1 1279 . 20 1 1 A 105 105 SER CA C 128 56.600 57.478 -0.878 1 1 1280 . 20 1 1 A 105 105 SER CB C 128 65.000 65.557 -0.557 1 1 1281 . 20 1 1 A 105 105 SER N N 128 111.500 111.316 0.184 1 1 1282 . 20 1 1 A 106 106 ALA H H 129 8.790 8.097 0.693 1 1 1283 . 20 1 1 A 106 106 ALA HA H 129 4.610 4.827 -0.217 1 1 1287 . 20 1 1 A 106 106 ALA C C 129 175.300 175.970 -0.670 1 1 1288 . 20 1 1 A 106 106 ALA CA C 129 52.100 51.465 0.635 1 1 1289 . 20 1 1 A 106 106 ALA CB C 129 22.600 22.802 -0.202 1 1 1290 . 20 1 1 A 106 106 ALA N N 129 125.100 121.490 3.610 1 1 1291 . 20 1 1 A 107 107 VAL H H 130 8.340 8.717 -0.377 1 1 1292 . 20 1 1 A 107 107 VAL HA H 130 4.160 4.443 -0.283 1 1 1300 . 20 1 1 A 107 107 VAL C C 130 176.300 176.019 0.281 1 1 1301 . 20 1 1 A 107 107 VAL CA C 130 62.600 62.522 0.078 1 1 1302 . 20 1 1 A 107 107 VAL CB C 130 32.000 32.150 -0.150 1 1 1305 . 20 1 1 A 107 107 VAL N N 130 122.800 119.491 3.309 1 1 1306 . 20 1 1 A 108 108 LEU H H 131 8.490 8.715 -0.225 1 1 1307 . 20 1 1 A 108 108 LEU HA H 131 4.370 4.263 0.107 1 1 1317 . 20 1 1 A 108 108 LEU C C 131 175.200 175.523 -0.323 1 1 1318 . 20 1 1 A 108 108 LEU CA C 131 54.200 54.318 -0.118 1 1 1319 . 20 1 1 A 108 108 LEU CB C 131 43.000 41.781 1.219 1 1 1323 . 20 1 1 A 108 108 LEU N N 131 128.900 128.140 0.760 1 1 1324 . 20 1 1 A 109 109 ALA H H 132 9.130 8.991 0.139 1 1 1325 . 20 1 1 A 109 109 ALA HA H 132 4.750 4.946 -0.196 1 1 1329 . 20 1 1 A 109 109 ALA C C 132 176.500 176.179 0.321 1 1 1330 . 20 1 1 A 109 109 ALA CA C 132 49.700 50.718 -1.018 1 1 1331 . 20 1 1 A 109 109 ALA CB C 132 22.400 23.563 -1.163 1 1 1332 . 20 1 1 A 109 109 ALA N N 132 126.000 122.693 3.307 1 1 1333 . 20 1 1 A 110 110 ASN H H 133 8.860 8.920 -0.060 1 1 1334 . 20 1 1 A 110 110 ASN HA H 133 4.430 4.454 -0.024 1 1 1339 . 20 1 1 A 110 110 ASN C C 133 176.400 176.654 -0.254 1 1 1340 . 20 1 1 A 110 110 ASN CA C 133 56.400 55.364 1.036 1 1 1341 . 20 1 1 A 110 110 ASN CB C 133 39.800 38.142 1.658 1 1 1343 . 20 1 1 A 110 110 ASN N N 133 117.600 117.969 -0.369 1 1 1345 . 20 1 1 A 111 111 GLY H H 134 10.100 8.737 1.363 1 1 1346 . 20 1 1 A 111 111 GLY HA2 H 134 4.430 3.835 0.595 1 1 1347 . 20 1 1 A 111 111 GLY HA3 H 134 3.410 3.856 -0.446 1 1 1348 . 20 1 1 A 111 111 GLY C C 134 174.800 174.042 0.758 1 1 1349 . 20 1 1 A 111 111 GLY CA C 134 45.100 45.711 -0.611 1 1 1350 . 20 1 1 A 111 111 GLY N N 134 117.200 111.310 5.890 1 1 1351 . 20 1 1 A 112 112 ASP H H 135 8.640 7.834 0.806 1 1 1352 . 20 1 1 A 112 112 ASP HA H 135 4.430 4.955 -0.525 1 1 1355 . 20 1 1 A 112 112 ASP C C 135 174.700 175.589 -0.889 1 1 1356 . 20 1 1 A 112 112 ASP CA C 135 56.200 53.606 2.594 1 1 1357 . 20 1 1 A 112 112 ASP CB C 135 42.100 42.417 -0.317 1 1 1358 . 20 1 1 A 112 112 ASP N N 135 122.900 120.781 2.119 1 1 1359 . 20 1 1 A 113 113 GLU H H 136 8.360 8.626 -0.266 1 1 1360 . 20 1 1 A 113 113 GLU HA H 136 5.220 5.115 0.105 1 1 1365 . 20 1 1 A 113 113 GLU C C 136 176.000 175.337 0.663 1 1 1366 . 20 1 1 A 113 113 GLU CA C 136 54.400 54.909 -0.509 1 1 1367 . 20 1 1 A 113 113 GLU CB C 136 32.900 33.053 -0.153 1 1 1369 . 20 1 1 A 113 113 GLU N N 136 119.000 120.534 -1.534 1 1 1370 . 20 1 1 A 114 114 VAL H H 137 9.800 9.080 0.720 1 1 1371 . 20 1 1 A 114 114 VAL HA H 137 5.160 4.897 0.263 1 1 1379 . 20 1 1 A 114 114 VAL C C 137 174.400 174.502 -0.102 1 1 1380 . 20 1 1 A 114 114 VAL CA C 137 60.400 60.898 -0.498 1 1 1381 . 20 1 1 A 114 114 VAL CB C 137 34.300 34.785 -0.485 1 1 1384 . 20 1 1 A 114 114 VAL N N 137 129.000 123.421 5.579 1 1 1385 . 20 1 1 A 115 115 GLN H H 138 9.610 8.921 0.689 1 1 1386 . 20 1 1 A 115 115 GLN HA H 138 5.430 5.095 0.335 1 1 1393 . 20 1 1 A 115 115 GLN C C 138 174.800 174.347 0.453 1 1 1394 . 20 1 1 A 115 115 GLN CA C 138 54.500 54.109 0.391 1 1 1395 . 20 1 1 A 115 115 GLN CB C 138 30.700 31.296 -0.596 1 1 1398 . 20 1 1 A 115 115 GLN N N 138 129.300 127.513 1.787 1 1 1399 . 20 1 1 A 116 116 ILE H H 139 8.400 8.517 -0.117 1 1 1400 . 20 1 1 A 116 116 ILE HA H 139 4.020 4.453 -0.433 1 1 1410 . 20 1 1 A 116 116 ILE C C 139 174.500 176.240 -1.740 1 1 1411 . 20 1 1 A 116 116 ILE CA C 139 60.600 59.979 0.621 1 1 1412 . 20 1 1 A 116 116 ILE CB C 139 40.900 40.390 0.510 1 1 1416 . 20 1 1 A 116 116 ILE N N 139 128.300 126.974 1.326 1 1 1417 . 20 1 1 A 117 117 GLY H H 140 9.650 8.709 0.941 1 1 1418 . 20 1 1 A 117 117 GLY HA2 H 140 3.820 3.805 0.015 1 1 1419 . 20 1 1 A 117 117 GLY HA3 H 140 3.630 3.871 -0.241 1 1 1420 . 20 1 1 A 117 117 GLY C C 140 175.400 174.877 0.523 1 1 1421 . 20 1 1 A 117 117 GLY CA C 140 46.500 46.782 -0.282 1 1 1422 . 20 1 1 A 117 117 GLY N N 140 116.800 115.650 1.150 1 1 1423 . 20 1 1 A 118 118 LYS H H 141 7.960 8.790 -0.830 1 1 1424 . 20 1 1 A 118 118 LYS HA H 141 4.070 4.312 -0.242 1 1 1433 . 20 1 1 A 118 118 LYS C C 141 175.600 176.428 -0.828 1 1 1434 . 20 1 1 A 118 118 LYS CA C 141 56.700 57.384 -0.684 1 1 1435 . 20 1 1 A 118 118 LYS CB C 141 32.600 32.802 -0.202 1 1 1439 . 20 1 1 A 118 118 LYS N N 141 122.400 125.978 -3.578 1 1 1440 . 20 1 1 A 119 119 PHE H H 142 8.260 7.663 0.597 1 1 1441 . 20 1 1 A 119 119 PHE HA H 142 4.540 4.923 -0.383 1 1 1449 . 20 1 1 A 119 119 PHE C C 142 174.700 175.346 -0.646 1 1 1450 . 20 1 1 A 119 119 PHE CA C 142 58.200 57.617 0.583 1 1 1451 . 20 1 1 A 119 119 PHE CB C 142 39.900 40.699 -0.799 1 1 1456 . 20 1 1 A 119 119 PHE N N 142 119.500 117.678 1.822 1 1 1457 . 20 1 1 A 120 120 ARG H H 143 8.690 8.794 -0.104 1 1 1458 . 20 1 1 A 120 120 ARG HA H 143 5.020 5.076 -0.056 1 1 1465 . 20 1 1 A 120 120 ARG C C 143 174.800 175.478 -0.678 1 1 1466 . 20 1 1 A 120 120 ARG CA C 143 55.100 55.063 0.037 1 1 1467 . 20 1 1 A 120 120 ARG CB C 143 32.800 32.753 0.047 1 1 1470 . 20 1 1 A 120 120 ARG N N 143 121.500 122.518 -1.018 1 1 1471 . 20 1 1 A 121 121 LEU H H 144 9.760 9.254 0.506 1 1 1472 . 20 1 1 A 121 121 LEU HA H 144 5.420 5.260 0.160 1 1 1482 . 20 1 1 A 121 121 LEU C C 144 175.000 175.455 -0.455 1 1 1483 . 20 1 1 A 121 121 LEU CA C 144 53.900 53.417 0.483 1 1 1484 . 20 1 1 A 121 121 LEU CB C 144 44.900 46.074 -1.174 1 1 1488 . 20 1 1 A 121 121 LEU N N 144 126.400 125.354 1.046 1 1 1489 . 20 1 1 A 122 122 VAL H H 145 9.370 9.012 0.358 1 1 1490 . 20 1 1 A 122 122 VAL HA H 145 5.010 5.103 -0.093 1 1 1498 . 20 1 1 A 122 122 VAL C C 145 173.700 173.315 0.385 1 1 1499 . 20 1 1 A 122 122 VAL CA C 145 60.800 59.406 1.394 1 1 1500 . 20 1 1 A 122 122 VAL CB C 145 34.300 34.814 -0.514 1 1 1503 . 20 1 1 A 122 122 VAL N N 145 121.900 121.148 0.752 1 1 1504 . 20 1 1 A 123 123 PHE H H 146 8.830 8.981 -0.151 1 1 1505 . 20 1 1 A 123 123 PHE HA H 146 4.980 4.829 0.151 1 1 1513 . 20 1 1 A 123 123 PHE C C 146 172.700 173.936 -1.236 1 1 1514 . 20 1 1 A 123 123 PHE CA C 146 57.100 56.390 0.710 1 1 1515 . 20 1 1 A 123 123 PHE CB C 146 41.100 39.794 1.306 1 1 1521 . 20 1 1 A 123 123 PHE N N 146 128.700 130.149 -1.449 1 1 1522 . 20 1 1 A 124 124 LEU H H 147 8.650 8.514 0.136 1 1 1523 . 20 1 1 A 124 124 LEU HA H 147 5.020 4.950 0.070 1 1 1533 . 20 1 1 A 124 124 LEU C C 147 175.300 175.679 -0.379 1 1 1534 . 20 1 1 A 124 124 LEU CA C 147 52.600 53.203 -0.603 1 1 1535 . 20 1 1 A 124 124 LEU CB C 147 45.600 45.513 0.087 1 1 1539 . 20 1 1 A 124 124 LEU N N 147 128.000 128.792 -0.792 1 1 1540 . 20 1 1 A 125 125 THR H H 148 8.300 8.448 -0.148 1 1 1541 . 20 1 1 A 125 125 THR HA H 148 4.330 4.709 -0.379 1 1 1546 . 20 1 1 A 125 125 THR C C 148 173.900 174.926 -1.026 1 1 1547 . 20 1 1 A 125 125 THR CA C 148 60.200 59.661 0.539 1 1 1548 . 20 1 1 A 125 125 THR CB C 148 70.300 71.310 -1.010 1 1 1550 . 20 1 1 A 125 125 THR N N 148 110.600 113.040 -2.440 1 1 1551 . 20 1 1 A 126 126 GLY H H 149 8.310 8.642 -0.332 1 1 1552 . 20 1 1 A 126 126 GLY HA2 H 149 3.840 3.852 -0.012 1 1 1553 . 20 1 1 A 126 126 GLY HA3 H 149 3.840 3.869 -0.029 1 1 1554 . 20 1 1 A 126 126 GLY CA C 149 45.200 47.023 -1.823 1 1 1555 . 20 1 1 A 126 126 GLY N N 149 109.800 112.826 -3.026 1 1 1556 . 20 1 1 A 127 127 HIS H H 150 8.310 8.666 -0.356 1 1 1557 . 20 1 1 A 127 127 HIS HA H 150 4.630 4.364 0.266 1 1 1562 . 20 1 1 A 127 127 HIS C C 150 174.800 174.370 0.430 1 1 1563 . 20 1 1 A 127 127 HIS CA C 150 55.900 57.958 -2.058 1 1 1564 . 20 1 1 A 127 127 HIS CB C 150 30.700 29.248 1.452 1 1 1567 . 20 1 1 A 127 127 HIS N N 150 119.300 121.881 -2.581 1 1 1570 . 20 1 1 A 128 128 LYS H H 151 8.490 8.458 0.032 1 1 1571 . 20 1 1 A 128 128 LYS HA H 151 4.300 3.956 0.344 1 1 1580 . 20 1 1 A 128 128 LYS C C 151 176.200 176.599 -0.399 1 1 1581 . 20 1 1 A 128 128 LYS CA C 151 56.100 56.194 -0.094 1 1 1582 . 20 1 1 A 128 128 LYS CB C 151 33.200 32.902 0.298 1 1 1586 . 20 1 1 A 128 128 LYS N N 151 123.800 124.472 -0.672 1 1 1587 . 20 1 1 A 129 129 GLN H H 152 8.640 8.373 0.267 1 1 1588 . 20 1 1 A 129 129 GLN HA H 152 4.270 4.396 -0.126 1 1 1595 . 20 1 1 A 129 129 GLN C C 152 176.500 176.542 -0.042 1 1 1596 . 20 1 1 A 129 129 GLN CA C 152 56.400 55.670 0.730 1 1 1597 . 20 1 1 A 129 129 GLN CB C 152 29.500 29.036 0.464 1 1 1600 . 20 1 1 A 129 129 GLN N N 152 122.900 124.677 -1.777 1 1 1602 . 20 1 1 A 130 130 GLY H H 153 8.640 8.511 0.129 1 1 1603 . 20 1 1 A 130 130 GLY HA2 H 153 3.990 4.017 -0.027 1 1 1604 . 20 1 1 A 130 130 GLY HA3 H 153 3.910 4.020 -0.110 1 1 1605 . 20 1 1 A 130 130 GLY C C 153 174.100 173.956 0.144 1 1 1606 . 20 1 1 A 130 130 GLY CA C 153 45.400 44.679 0.721 1 1 1607 . 20 1 1 A 130 130 GLY N N 153 111.100 111.619 -0.519 1 1 1608 . 20 1 1 A 131 131 GLU H H 154 8.220 8.805 -0.585 1 1 1609 . 20 1 1 A 131 131 GLU HA H 154 4.260 4.451 -0.191 1 1 1614 . 20 1 1 A 131 131 GLU C C 154 176.100 175.834 0.266 1 1 1615 . 20 1 1 A 131 131 GLU CA C 154 56.600 57.571 -0.971 1 1 1616 . 20 1 1 A 131 131 GLU CB C 154 30.600 30.647 -0.047 1 1 1618 . 20 1 1 A 131 131 GLU N N 154 120.500 119.458 1.042 1 1 1619 . 20 1 1 A 132 132 ASP H H 155 8.530 8.042 0.488 1 1 1620 . 20 1 1 A 132 132 ASP HA H 155 4.560 4.250 0.310 1 1 1623 . 20 1 1 A 132 132 ASP C C 155 176.300 175.482 0.818 1 1 1624 . 20 1 1 A 132 132 ASP CA C 155 54.300 54.880 -0.580 1 1 1625 . 20 1 1 A 132 132 ASP CB C 155 41.000 39.363 1.637 1 1 1626 . 20 1 1 A 132 132 ASP N N 155 121.300 119.915 1.385 1 1 1627 . 20 1 1 A 133 133 LEU H H 156 8.230 8.171 0.059 1 1 1628 . 20 1 1 A 133 133 LEU HA H 156 4.200 4.222 -0.022 1 1 1638 . 20 1 1 A 133 133 LEU C C 156 177.700 176.566 1.134 1 1 1639 . 20 1 1 A 133 133 LEU CA C 156 55.500 55.670 -0.170 1 1 1640 . 20 1 1 A 133 133 LEU CB C 156 42.100 42.452 -0.352 1 1 1644 . 20 1 1 A 133 133 LEU N N 156 122.500 120.413 2.087 1 1 1645 . 20 1 1 A 134 134 GLU H H 157 8.270 8.863 -0.593 1 1 1646 . 20 1 1 A 134 134 GLU HA H 157 4.100 4.438 -0.338 1 1 1651 . 20 1 1 A 134 134 GLU C C 157 177.300 175.240 2.060 1 1 1652 . 20 1 1 A 134 134 GLU CA C 157 56.900 55.606 1.294 1 1 1653 . 20 1 1 A 134 134 GLU CB C 157 30.000 31.549 -1.549 1 1 1655 . 20 1 1 A 134 134 GLU N N 157 119.800 122.311 -2.511 1 1 1656 . 20 1 1 A 135 135 HIS H H 158 8.150 8.746 -0.596 1 1 1657 . 20 1 1 A 135 135 HIS HA H 158 4.530 4.383 0.147 1 1 1662 . 20 1 1 A 135 135 HIS CA C 158 56.100 57.764 -1.664 1 1 1663 . 20 1 1 A 135 135 HIS CB C 158 30.000 29.499 0.501 1 1 1664 . 20 1 1 A 135 135 HIS N N 158 118.500 121.761 -3.261 1 1 1665 . 20 1 1 A 139 139 HIS HA H 162 4.590 4.579 0.011 1 1 1668 . 20 1 1 A 139 139 HIS C C 162 173.900 176.086 -2.186 1 1 1669 . 20 1 1 A 139 139 HIS CA C 162 55.900 56.621 -0.721 1 1 1670 . 20 1 1 A 139 139 HIS CB C 162 30.100 30.136 -0.036 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 127 1.212 1 2 1 1 1 "RMS(OBS, PRED)" CA 135 1.185 1 3 1 1 1 "RMS(OBS, PRED)" CB 122 1.348 1 4 1 1 1 "RMS(OBS, PRED)" H 128 0.685 1 5 1 1 1 "RMS(OBS, PRED)" HA 148 0.351 1 6 1 1 1 "RMS(OBS, PRED)" N 127 3.195 1 7 1 2 1 "RMS(OBS, PRED)" C 127 1.220 1 8 1 2 1 "RMS(OBS, PRED)" CA 135 1.276 1 9 1 2 1 "RMS(OBS, PRED)" CB 122 1.213 1 10 1 2 1 "RMS(OBS, PRED)" H 128 0.615 1 11 1 2 1 "RMS(OBS, PRED)" HA 148 0.341 1 12 1 2 1 "RMS(OBS, PRED)" N 127 3.372 1 13 1 3 1 "RMS(OBS, PRED)" C 127 1.087 1 14 1 3 1 "RMS(OBS, PRED)" CA 135 1.075 1 15 1 3 1 "RMS(OBS, PRED)" CB 122 1.306 1 16 1 3 1 "RMS(OBS, PRED)" H 128 0.660 1 17 1 3 1 "RMS(OBS, PRED)" HA 148 0.320 1 18 1 3 1 "RMS(OBS, PRED)" N 127 3.174 1 19 1 4 1 "RMS(OBS, PRED)" C 127 1.200 1 20 1 4 1 "RMS(OBS, PRED)" CA 135 1.131 1 21 1 4 1 "RMS(OBS, PRED)" CB 122 1.243 1 22 1 4 1 "RMS(OBS, PRED)" H 128 0.623 1 23 1 4 1 "RMS(OBS, PRED)" HA 148 0.345 1 24 1 4 1 "RMS(OBS, PRED)" N 127 2.992 1 25 1 5 1 "RMS(OBS, PRED)" C 127 1.205 1 26 1 5 1 "RMS(OBS, PRED)" CA 135 1.202 1 27 1 5 1 "RMS(OBS, PRED)" CB 122 1.340 1 28 1 5 1 "RMS(OBS, PRED)" H 128 0.724 1 29 1 5 1 "RMS(OBS, PRED)" HA 148 0.341 1 30 1 5 1 "RMS(OBS, PRED)" N 127 3.388 1 31 1 6 1 "RMS(OBS, PRED)" C 127 1.195 1 32 1 6 1 "RMS(OBS, PRED)" CA 135 1.124 1 33 1 6 1 "RMS(OBS, PRED)" CB 122 1.382 1 34 1 6 1 "RMS(OBS, PRED)" H 128 0.674 1 35 1 6 1 "RMS(OBS, PRED)" HA 148 0.332 1 36 1 6 1 "RMS(OBS, PRED)" N 127 3.363 1 37 1 7 1 "RMS(OBS, PRED)" C 127 1.185 1 38 1 7 1 "RMS(OBS, PRED)" CA 135 1.135 1 39 1 7 1 "RMS(OBS, PRED)" CB 122 1.452 1 40 1 7 1 "RMS(OBS, PRED)" H 128 0.656 1 41 1 7 1 "RMS(OBS, PRED)" HA 148 0.345 1 42 1 7 1 "RMS(OBS, PRED)" N 127 3.208 1 43 1 8 1 "RMS(OBS, PRED)" C 127 1.194 1 44 1 8 1 "RMS(OBS, PRED)" CA 135 1.223 1 45 1 8 1 "RMS(OBS, PRED)" CB 122 1.473 1 46 1 8 1 "RMS(OBS, PRED)" H 128 0.649 1 47 1 8 1 "RMS(OBS, PRED)" HA 148 0.345 1 48 1 8 1 "RMS(OBS, PRED)" N 127 3.645 1 49 1 9 1 "RMS(OBS, PRED)" C 127 1.241 1 50 1 9 1 "RMS(OBS, PRED)" CA 135 1.197 1 51 1 9 1 "RMS(OBS, PRED)" CB 122 1.440 1 52 1 9 1 "RMS(OBS, PRED)" H 128 0.658 1 53 1 9 1 "RMS(OBS, PRED)" HA 148 0.330 1 54 1 9 1 "RMS(OBS, PRED)" N 127 3.143 1 55 1 10 1 "RMS(OBS, PRED)" C 127 1.191 1 56 1 10 1 "RMS(OBS, PRED)" CA 135 1.148 1 57 1 10 1 "RMS(OBS, PRED)" CB 122 1.179 1 58 1 10 1 "RMS(OBS, PRED)" H 128 0.623 1 59 1 10 1 "RMS(OBS, PRED)" HA 148 0.330 1 60 1 10 1 "RMS(OBS, PRED)" N 127 2.905 1 61 1 11 1 "RMS(OBS, PRED)" C 127 1.292 1 62 1 11 1 "RMS(OBS, PRED)" CA 135 1.195 1 63 1 11 1 "RMS(OBS, PRED)" CB 122 1.297 1 64 1 11 1 "RMS(OBS, PRED)" H 128 0.701 1 65 1 11 1 "RMS(OBS, PRED)" HA 148 0.344 1 66 1 11 1 "RMS(OBS, PRED)" N 127 3.413 1 67 1 12 1 "RMS(OBS, PRED)" C 127 1.172 1 68 1 12 1 "RMS(OBS, PRED)" CA 135 1.140 1 69 1 12 1 "RMS(OBS, PRED)" CB 122 1.391 1 70 1 12 1 "RMS(OBS, PRED)" H 128 0.646 1 71 1 12 1 "RMS(OBS, PRED)" HA 148 0.325 1 72 1 12 1 "RMS(OBS, PRED)" N 127 3.369 1 73 1 13 1 "RMS(OBS, PRED)" C 127 1.190 1 74 1 13 1 "RMS(OBS, PRED)" CA 135 1.210 1 75 1 13 1 "RMS(OBS, PRED)" CB 122 1.316 1 76 1 13 1 "RMS(OBS, PRED)" H 128 0.623 1 77 1 13 1 "RMS(OBS, PRED)" HA 148 0.357 1 78 1 13 1 "RMS(OBS, PRED)" N 127 3.506 1 79 1 14 1 "RMS(OBS, PRED)" C 127 1.178 1 80 1 14 1 "RMS(OBS, PRED)" CA 135 1.153 1 81 1 14 1 "RMS(OBS, PRED)" CB 122 1.275 1 82 1 14 1 "RMS(OBS, PRED)" H 128 0.606 1 83 1 14 1 "RMS(OBS, PRED)" HA 148 0.348 1 84 1 14 1 "RMS(OBS, PRED)" N 127 2.987 1 85 1 15 1 "RMS(OBS, PRED)" C 127 1.236 1 86 1 15 1 "RMS(OBS, PRED)" CA 135 1.115 1 87 1 15 1 "RMS(OBS, PRED)" CB 122 1.669 1 88 1 15 1 "RMS(OBS, PRED)" H 128 0.618 1 89 1 15 1 "RMS(OBS, PRED)" HA 148 0.340 1 90 1 15 1 "RMS(OBS, PRED)" N 127 3.242 1 91 1 16 1 "RMS(OBS, PRED)" C 127 1.215 1 92 1 16 1 "RMS(OBS, PRED)" CA 135 1.307 1 93 1 16 1 "RMS(OBS, PRED)" CB 122 1.384 1 94 1 16 1 "RMS(OBS, PRED)" H 128 0.634 1 95 1 16 1 "RMS(OBS, PRED)" HA 148 0.318 1 96 1 16 1 "RMS(OBS, PRED)" N 127 3.495 1 97 1 17 1 "RMS(OBS, PRED)" C 127 1.223 1 98 1 17 1 "RMS(OBS, PRED)" CA 135 1.296 1 99 1 17 1 "RMS(OBS, PRED)" CB 122 1.323 1 100 1 17 1 "RMS(OBS, PRED)" H 128 0.698 1 101 1 17 1 "RMS(OBS, PRED)" HA 148 0.334 1 102 1 17 1 "RMS(OBS, PRED)" N 127 3.228 1 103 1 18 1 "RMS(OBS, PRED)" C 127 1.225 1 104 1 18 1 "RMS(OBS, PRED)" CA 135 1.206 1 105 1 18 1 "RMS(OBS, PRED)" CB 122 1.377 1 106 1 18 1 "RMS(OBS, PRED)" H 128 0.717 1 107 1 18 1 "RMS(OBS, PRED)" HA 148 0.370 1 108 1 18 1 "RMS(OBS, PRED)" N 127 3.354 1 109 1 19 1 "RMS(OBS, PRED)" C 127 1.201 1 110 1 19 1 "RMS(OBS, PRED)" CA 135 1.320 1 111 1 19 1 "RMS(OBS, PRED)" CB 122 1.322 1 112 1 19 1 "RMS(OBS, PRED)" H 128 0.666 1 113 1 19 1 "RMS(OBS, PRED)" HA 148 0.324 1 114 1 19 1 "RMS(OBS, PRED)" N 127 3.288 1 115 1 20 1 "RMS(OBS, PRED)" C 127 1.206 1 116 1 20 1 "RMS(OBS, PRED)" CA 135 1.291 1 117 1 20 1 "RMS(OBS, PRED)" CB 122 1.340 1 118 1 20 1 "RMS(OBS, PRED)" H 128 0.680 1 119 1 20 1 "RMS(OBS, PRED)" HA 148 0.331 1 120 1 20 1 "RMS(OBS, PRED)" N 127 3.407 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 15 . 1 1 A 2 2 PHE H H 25 8.640 8.280 0.360 2 1 16 . 1 1 A 2 2 PHE HA H 25 4.630 4.567 0.063 2 1 24 . 1 1 A 2 2 PHE C C 25 175.000 175.223 -0.223 2 1 25 . 1 1 A 2 2 PHE CA C 25 58.000 58.143 -0.143 2 1 26 . 1 1 A 2 2 PHE CB C 25 39.700 39.941 -0.241 2 1 31 . 1 1 A 3 3 ARG H H 26 8.210 7.939 0.271 2 1 32 . 1 1 A 3 3 ARG HA H 26 4.200 4.181 0.019 2 1 40 . 1 1 A 3 3 ARG C C 26 175.100 175.671 -0.571 2 1 41 . 1 1 A 3 3 ARG CA C 26 55.600 56.278 -0.678 2 1 42 . 1 1 A 3 3 ARG CB C 26 31.300 30.651 0.649 2 1 45 . 1 1 A 3 3 ARG N N 26 125.000 121.001 3.999 2 1 47 . 1 1 A 4 4 ALA H H 27 8.260 8.337 -0.077 2 1 48 . 1 1 A 4 4 ALA HA H 27 4.090 4.224 -0.134 2 1 52 . 1 1 A 4 4 ALA C C 27 177.300 177.212 0.088 2 1 53 . 1 1 A 4 4 ALA CA C 27 52.800 52.656 0.144 2 1 54 . 1 1 A 4 4 ALA CB C 27 19.200 18.958 0.242 2 1 55 . 1 1 A 4 4 ALA N N 27 125.400 124.774 0.626 2 1 56 . 1 1 A 5 5 ASP H H 28 8.260 8.687 -0.427 2 1 57 . 1 1 A 5 5 ASP HA H 28 4.470 4.625 -0.155 2 1 60 . 1 1 A 5 5 ASP C C 28 176.200 176.012 0.188 2 1 61 . 1 1 A 5 5 ASP CA C 28 54.500 55.147 -0.647 2 1 62 . 1 1 A 5 5 ASP CB C 28 40.700 41.257 -0.557 2 1 63 . 1 1 A 5 5 ASP N N 28 118.200 120.095 -1.895 2 1 64 . 1 1 A 6 6 PHE H H 29 7.930 7.549 0.381 2 1 65 . 1 1 A 6 6 PHE HA H 29 4.510 4.715 -0.205 2 1 73 . 1 1 A 6 6 PHE C C 29 175.700 175.180 0.520 2 1 74 . 1 1 A 6 6 PHE CA C 29 58.000 56.733 1.267 2 1 75 . 1 1 A 6 6 PHE CB C 29 39.300 40.511 -1.211 2 1 81 . 1 1 A 6 6 PHE N N 29 119.400 116.472 2.928 2 1 82 . 1 1 A 7 7 LEU H H 30 8.000 8.229 -0.229 2 1 83 . 1 1 A 7 7 LEU HA H 30 4.210 4.165 0.045 2 1 93 . 1 1 A 7 7 LEU C C 30 177.400 176.446 0.954 2 1 94 . 1 1 A 7 7 LEU CA C 30 55.400 55.346 0.054 2 1 95 . 1 1 A 7 7 LEU CB C 30 42.200 41.260 0.940 2 1 99 . 1 1 A 7 7 LEU N N 30 122.100 118.894 3.206 2 1 100 . 1 1 A 8 8 SER H H 31 8.130 7.983 0.147 2 1 101 . 1 1 A 8 8 SER HA H 31 4.330 4.216 0.114 2 1 104 . 1 1 A 8 8 SER C C 31 174.900 174.081 0.819 2 1 105 . 1 1 A 8 8 SER CA C 31 58.800 58.604 0.196 2 1 106 . 1 1 A 8 8 SER CB C 31 63.800 63.272 0.528 2 1 107 . 1 1 A 8 8 SER N N 31 116.000 117.387 -1.387 2 1 108 . 1 1 A 9 9 GLU H H 32 8.380 8.517 -0.137 2 1 109 . 1 1 A 9 9 GLU HA H 32 4.240 4.361 -0.121 2 1 114 . 1 1 A 9 9 GLU C C 32 176.600 176.331 0.269 2 1 115 . 1 1 A 9 9 GLU CA C 32 57.000 56.885 0.115 2 1 116 . 1 1 A 9 9 GLU CB C 32 30.000 30.095 -0.095 2 1 118 . 1 1 A 9 9 GLU N N 32 122.200 122.053 0.147 2 1 119 . 1 1 A 10 10 LEU H H 33 7.990 8.210 -0.220 2 1 120 . 1 1 A 10 10 LEU HA H 33 4.220 4.213 0.007 2 1 130 . 1 1 A 10 10 LEU C C 33 177.100 176.491 0.609 2 1 131 . 1 1 A 10 10 LEU CA C 33 55.500 56.173 -0.673 2 1 132 . 1 1 A 10 10 LEU CB C 33 42.200 41.965 0.235 2 1 136 . 1 1 A 10 10 LEU N N 33 121.200 122.633 -1.433 2 1 137 . 1 1 A 11 11 ASP H H 34 8.090 8.345 -0.255 2 1 138 . 1 1 A 11 11 ASP HA H 34 4.550 4.641 -0.091 2 1 141 . 1 1 A 11 11 ASP C C 34 175.400 175.917 -0.518 2 1 142 . 1 1 A 11 11 ASP CA C 34 54.200 54.943 -0.743 2 1 143 . 1 1 A 11 11 ASP CB C 34 41.300 40.930 0.370 2 1 144 . 1 1 A 11 11 ASP N N 34 120.000 121.476 -1.476 2 1 145 . 1 1 A 12 12 ALA H H 35 7.950 8.271 -0.321 2 1 146 . 1 1 A 12 12 ALA HA H 35 4.510 4.571 -0.061 2 1 150 . 1 1 A 12 12 ALA CA C 35 50.800 51.176 -0.376 2 1 151 . 1 1 A 12 12 ALA CB C 35 18.300 19.143 -0.843 2 1 152 . 1 1 A 12 12 ALA N N 35 124.600 123.974 0.626 2 1 153 . 1 1 A 13 13 PRO HA H 36 4.360 4.527 -0.167 2 1 160 . 1 1 A 13 13 PRO C C 36 176.900 176.670 0.230 2 1 161 . 1 1 A 13 13 PRO CA C 36 63.200 63.149 0.051 2 1 162 . 1 1 A 13 13 PRO CB C 36 32.000 32.257 -0.257 2 1 165 . 1 1 A 14 14 ALA H H 37 8.390 8.256 0.134 2 1 166 . 1 1 A 14 14 ALA HA H 37 4.230 4.276 -0.046 2 1 170 . 1 1 A 14 14 ALA C C 37 177.900 177.087 0.813 2 1 171 . 1 1 A 14 14 ALA CA C 37 52.600 53.080 -0.480 2 1 172 . 1 1 A 14 14 ALA CB C 37 19.300 19.518 -0.218 2 1 173 . 1 1 A 14 14 ALA N N 37 123.900 122.687 1.213 2 1 174 . 1 1 A 15 15 GLN H H 38 8.330 8.353 -0.023 2 1 175 . 1 1 A 15 15 GLN HA H 38 4.280 4.396 -0.116 2 1 182 . 1 1 A 15 15 GLN C C 38 175.800 176.120 -0.320 2 1 183 . 1 1 A 15 15 GLN CA C 38 55.700 56.068 -0.368 2 1 184 . 1 1 A 15 15 GLN CB C 38 29.600 29.565 0.035 2 1 187 . 1 1 A 15 15 GLN N N 38 119.300 119.168 0.132 2 1 189 . 1 1 A 16 16 ALA H H 39 8.410 8.101 0.309 2 1 190 . 1 1 A 16 16 ALA HA H 39 4.070 4.178 -0.108 2 1 194 . 1 1 A 16 16 ALA C C 39 178.200 177.794 0.406 2 1 195 . 1 1 A 16 16 ALA CA C 39 52.800 52.991 -0.191 2 1 196 . 1 1 A 16 16 ALA CB C 39 19.300 19.087 0.213 2 1 197 . 1 1 A 16 16 ALA N N 39 125.600 122.308 3.292 2 1 198 . 1 1 A 17 17 GLY H H 40 8.510 8.301 0.209 2 1 199 . 1 1 A 17 17 GLY HA2 H 40 4.010 3.991 0.019 2 1 200 . 1 1 A 17 17 GLY HA3 H 40 4.010 3.992 0.018 2 1 201 . 1 1 A 17 17 GLY C C 40 174.600 173.987 0.613 2 1 202 . 1 1 A 17 17 GLY CA C 40 45.400 45.603 -0.203 2 1 203 . 1 1 A 17 17 GLY N N 40 108.500 107.556 0.944 2 1 204 . 1 1 A 18 18 THR H H 41 8.020 8.217 -0.197 2 1 205 . 1 1 A 18 18 THR HA H 41 4.320 4.292 0.028 2 1 210 . 1 1 A 18 18 THR C C 41 174.900 174.367 0.533 2 1 211 . 1 1 A 18 18 THR CA C 41 62.100 62.877 -0.777 2 1 212 . 1 1 A 18 18 THR CB C 41 69.900 69.041 0.859 2 1 214 . 1 1 A 18 18 THR N N 41 112.900 114.255 -1.355 2 1 215 . 1 1 A 19 19 GLU H H 42 8.630 8.441 0.189 2 1 216 . 1 1 A 19 19 GLU HA H 42 4.300 4.382 -0.082 2 1 221 . 1 1 A 19 19 GLU C C 42 176.600 176.364 0.236 2 1 222 . 1 1 A 19 19 GLU CA C 42 56.900 56.745 0.155 2 1 223 . 1 1 A 19 19 GLU CB C 42 30.000 30.500 -0.500 2 1 225 . 1 1 A 19 19 GLU N N 42 123.000 123.747 -0.747 2 1 226 . 1 1 A 20 20 SER H H 43 8.330 8.444 -0.114 2 1 227 . 1 1 A 20 20 SER HA H 43 4.400 4.371 0.029 2 1 230 . 1 1 A 20 20 SER C C 43 174.300 174.471 -0.171 2 1 231 . 1 1 A 20 20 SER CA C 43 58.500 59.149 -0.649 2 1 232 . 1 1 A 20 20 SER CB C 43 63.900 63.434 0.466 2 1 233 . 1 1 A 20 20 SER N N 43 116.600 117.633 -1.033 2 1 234 . 1 1 A 21 21 ALA H H 44 8.320 8.336 -0.017 2 1 235 . 1 1 A 21 21 ALA HA H 44 4.300 4.401 -0.101 2 1 239 . 1 1 A 21 21 ALA C C 44 177.700 177.312 0.387 2 1 240 . 1 1 A 21 21 ALA CA C 44 52.700 52.440 0.260 2 1 241 . 1 1 A 21 21 ALA CB C 44 19.300 19.434 -0.134 2 1 242 . 1 1 A 21 21 ALA N N 44 126.000 124.357 1.643 2 1 243 . 1 1 A 22 22 VAL H H 45 8.040 7.799 0.241 2 1 244 . 1 1 A 22 22 VAL HA H 45 4.100 4.161 -0.061 2 1 252 . 1 1 A 22 22 VAL C C 45 176.100 176.006 0.094 2 1 253 . 1 1 A 22 22 VAL CA C 45 62.300 62.511 -0.211 2 1 254 . 1 1 A 22 22 VAL CB C 45 32.700 32.431 0.269 2 1 257 . 1 1 A 22 22 VAL N N 45 118.100 117.264 0.836 2 1 258 . 1 1 A 23 23 SER H H 46 8.370 8.192 0.178 2 1 259 . 1 1 A 23 23 SER HA H 46 4.410 4.441 -0.031 2 1 262 . 1 1 A 23 23 SER C C 46 174.900 174.453 0.447 2 1 263 . 1 1 A 23 23 SER CA C 46 58.500 58.795 -0.295 2 1 264 . 1 1 A 23 23 SER CB C 46 63.900 63.696 0.204 2 1 265 . 1 1 A 23 23 SER N N 46 119.100 118.329 0.771 2 1 266 . 1 1 A 24 24 GLY H H 47 8.370 8.435 -0.065 2 1 267 . 1 1 A 24 24 GLY HA2 H 47 3.950 4.041 -0.091 2 1 268 . 1 1 A 24 24 GLY HA3 H 47 3.950 4.047 -0.097 2 1 269 . 1 1 A 24 24 GLY C C 47 174.200 174.194 0.006 2 1 270 . 1 1 A 24 24 GLY CA C 47 45.400 45.597 -0.197 2 1 271 . 1 1 A 24 24 GLY N N 47 110.500 110.765 -0.265 2 1 272 . 1 1 A 25 25 VAL H H 48 7.980 8.290 -0.310 2 1 273 . 1 1 A 25 25 VAL HA H 48 4.040 4.031 0.009 2 1 281 . 1 1 A 25 25 VAL C C 48 176.100 176.012 0.088 2 1 282 . 1 1 A 25 25 VAL CA C 48 62.200 63.223 -1.023 2 1 283 . 1 1 A 25 25 VAL CB C 48 32.500 31.759 0.741 2 1 286 . 1 1 A 25 25 VAL N N 48 118.100 119.335 -1.235 2 1 287 . 1 1 A 26 26 GLU H H 49 8.580 8.439 0.141 2 1 288 . 1 1 A 26 26 GLU HA H 49 4.160 4.212 -0.052 2 1 293 . 1 1 A 26 26 GLU C C 49 176.900 176.636 0.264 2 1 294 . 1 1 A 26 26 GLU CA C 49 57.400 57.615 -0.215 2 1 295 . 1 1 A 26 26 GLU CB C 49 29.800 29.953 -0.153 2 1 297 . 1 1 A 26 26 GLU N N 49 123.900 123.472 0.428 2 1 298 . 1 1 A 27 27 GLY H H 50 8.330 8.181 0.149 2 1 299 . 1 1 A 27 27 GLY HA2 H 50 3.890 3.965 -0.075 2 1 300 . 1 1 A 27 27 GLY HA3 H 50 3.830 3.971 -0.141 2 1 301 . 1 1 A 27 27 GLY C C 50 173.800 173.484 0.316 2 1 302 . 1 1 A 27 27 GLY CA C 50 45.200 45.629 -0.429 2 1 303 . 1 1 A 27 27 GLY N N 50 109.500 110.069 -0.569 2 1 304 . 1 1 A 28 28 LEU H H 51 7.770 8.331 -0.560 2 1 305 . 1 1 A 28 28 LEU HA H 51 4.470 4.615 -0.145 2 1 315 . 1 1 A 28 28 LEU CA C 51 52.800 52.990 -0.190 2 1 316 . 1 1 A 28 28 LEU CB C 51 42.200 41.997 0.203 2 1 320 . 1 1 A 28 28 LEU N N 51 123.000 121.344 1.656 2 1 321 . 1 1 A 29 29 PRO HA H 52 4.660 4.526 0.134 2 1 328 . 1 1 A 29 29 PRO CA C 52 61.600 63.086 -1.486 2 1 329 . 1 1 A 29 29 PRO CB C 52 30.800 31.954 -1.154 2 1 332 . 1 1 A 30 30 PRO HA H 53 4.340 4.331 0.009 2 1 339 . 1 1 A 30 30 PRO C C 53 177.500 177.203 0.297 2 1 340 . 1 1 A 30 30 PRO CA C 53 63.500 63.690 -0.190 2 1 341 . 1 1 A 30 30 PRO CB C 53 32.000 31.804 0.196 2 1 344 . 1 1 A 31 31 GLY H H 54 8.690 8.603 0.087 2 1 345 . 1 1 A 31 31 GLY HA2 H 54 4.060 3.941 0.119 2 1 346 . 1 1 A 31 31 GLY HA3 H 54 3.660 3.971 -0.311 2 1 347 . 1 1 A 31 31 GLY C C 54 172.900 173.843 -0.943 2 1 348 . 1 1 A 31 31 GLY CA C 54 45.400 45.907 -0.507 2 1 349 . 1 1 A 31 31 GLY N N 54 110.100 110.615 -0.515 2 1 350 . 1 1 A 32 32 LEU H H 55 7.510 8.025 -0.515 2 1 351 . 1 1 A 32 32 LEU HA H 55 4.960 5.104 -0.144 2 1 361 . 1 1 A 32 32 LEU C C 55 175.400 175.825 -0.425 2 1 362 . 1 1 A 32 32 LEU CA C 55 54.100 53.569 0.531 2 1 363 . 1 1 A 32 32 LEU CB C 55 44.400 44.616 -0.216 2 1 367 . 1 1 A 32 32 LEU N N 55 119.300 122.498 -3.198 2 1 368 . 1 1 A 33 33 ALA H H 56 7.840 8.698 -0.858 2 1 369 . 1 1 A 33 33 ALA HA H 56 4.500 4.969 -0.469 2 1 373 . 1 1 A 33 33 ALA C C 56 178.200 175.306 2.894 2 1 374 . 1 1 A 33 33 ALA CA C 56 51.100 50.413 0.687 2 1 375 . 1 1 A 33 33 ALA CB C 56 23.900 23.431 0.469 2 1 376 . 1 1 A 33 33 ALA N N 56 121.800 123.138 -1.338 2 1 377 . 1 1 A 34 34 LEU H H 57 8.640 8.092 0.548 2 1 378 . 1 1 A 34 34 LEU HA H 57 4.930 5.098 -0.168 2 1 388 . 1 1 A 34 34 LEU C C 57 174.400 175.467 -1.067 2 1 389 . 1 1 A 34 34 LEU CA C 57 53.400 53.376 0.024 2 1 390 . 1 1 A 34 34 LEU CB C 57 47.300 45.516 1.784 2 1 394 . 1 1 A 34 34 LEU N N 57 119.200 118.226 0.974 2 1 395 . 1 1 A 35 35 LEU H H 58 8.640 8.455 0.185 2 1 396 . 1 1 A 35 35 LEU HA H 58 5.440 5.256 0.184 2 1 406 . 1 1 A 35 35 LEU C C 58 176.200 175.763 0.437 2 1 407 . 1 1 A 35 35 LEU CA C 58 52.600 53.411 -0.811 2 1 408 . 1 1 A 35 35 LEU CB C 58 46.000 44.689 1.311 2 1 412 . 1 1 A 35 35 LEU N N 58 119.400 121.712 -2.312 2 1 413 . 1 1 A 36 36 VAL H H 59 8.960 8.868 0.092 2 1 414 . 1 1 A 36 36 VAL HA H 59 4.860 4.814 0.046 2 1 422 . 1 1 A 36 36 VAL C C 59 176.400 175.212 1.188 2 1 423 . 1 1 A 36 36 VAL CA C 59 59.900 60.117 -0.217 2 1 424 . 1 1 A 36 36 VAL CB C 59 34.600 34.845 -0.245 2 1 427 . 1 1 A 36 36 VAL N N 59 120.700 123.406 -2.706 2 1 428 . 1 1 A 37 37 VAL H H 60 8.830 8.693 0.137 2 1 429 . 1 1 A 37 37 VAL HA H 60 4.170 4.113 0.057 2 1 437 . 1 1 A 37 37 VAL C C 60 176.000 175.947 0.053 2 1 438 . 1 1 A 37 37 VAL CA C 60 63.900 63.595 0.305 2 1 439 . 1 1 A 37 37 VAL CB C 60 31.400 31.647 -0.247 2 1 442 . 1 1 A 37 37 VAL N N 60 125.700 127.132 -1.432 2 1 443 . 1 1 A 38 38 LYS H H 61 9.400 8.804 0.596 2 1 444 . 1 1 A 38 38 LYS HA H 61 4.450 4.307 0.143 2 1 453 . 1 1 A 38 38 LYS C C 61 176.000 175.885 0.115 2 1 454 . 1 1 A 38 38 LYS CA C 61 56.900 57.653 -0.753 2 1 455 . 1 1 A 38 38 LYS CB C 61 34.200 33.329 0.871 2 1 459 . 1 1 A 38 38 LYS N N 61 131.900 128.483 3.417 2 1 460 . 1 1 A 39 39 ARG H H 62 7.990 7.683 0.307 2 1 461 . 1 1 A 39 39 ARG HA H 62 4.700 4.840 -0.140 2 1 469 . 1 1 A 39 39 ARG C C 62 173.600 175.152 -1.552 2 1 470 . 1 1 A 39 39 ARG CA C 62 55.100 54.953 0.147 2 1 471 . 1 1 A 39 39 ARG CB C 62 34.100 33.974 0.126 2 1 474 . 1 1 A 39 39 ARG N N 62 117.300 118.607 -1.307 2 1 476 . 1 1 A 40 40 GLY H H 63 8.480 8.461 0.019 2 1 477 . 1 1 A 40 40 GLY HA2 H 63 4.290 4.181 0.110 2 1 478 . 1 1 A 40 40 GLY HA3 H 63 3.580 4.256 -0.676 2 1 479 . 1 1 A 40 40 GLY CA C 63 43.800 45.132 -1.332 2 1 480 . 1 1 A 40 40 GLY N N 63 110.800 111.123 -0.323 2 1 481 . 1 1 A 41 41 PRO HA H 64 4.300 4.407 -0.107 2 1 488 . 1 1 A 41 41 PRO C C 64 175.900 177.626 -1.726 2 1 489 . 1 1 A 41 41 PRO CA C 64 64.400 64.846 -0.446 2 1 490 . 1 1 A 41 41 PRO CB C 64 31.500 31.956 -0.456 2 1 493 . 1 1 A 42 42 ASN H H 65 8.310 8.329 -0.019 2 1 494 . 1 1 A 42 42 ASN HA H 65 4.770 4.825 -0.055 2 1 499 . 1 1 A 42 42 ASN C C 65 177.500 175.129 2.371 2 1 500 . 1 1 A 42 42 ASN CA C 65 52.100 53.408 -1.308 2 1 501 . 1 1 A 42 42 ASN CB C 65 36.700 38.498 -1.798 2 1 503 . 1 1 A 42 42 ASN N N 65 114.500 115.110 -0.610 2 1 505 . 1 1 A 43 43 ALA H H 66 7.470 7.648 -0.178 2 1 506 . 1 1 A 43 43 ALA HA H 66 3.690 4.107 -0.417 2 1 510 . 1 1 A 43 43 ALA C C 66 177.800 177.974 -0.174 2 1 511 . 1 1 A 43 43 ALA CA C 66 54.200 53.534 0.666 2 1 512 . 1 1 A 43 43 ALA CB C 66 17.700 18.647 -0.947 2 1 513 . 1 1 A 43 43 ALA N N 66 122.100 122.318 -0.218 2 1 514 . 1 1 A 44 44 GLY H H 67 9.120 8.715 0.405 2 1 515 . 1 1 A 44 44 GLY HA2 H 67 4.440 3.998 0.442 2 1 516 . 1 1 A 44 44 GLY HA3 H 67 3.490 4.001 -0.511 2 1 517 . 1 1 A 44 44 GLY C C 67 174.900 174.476 0.424 2 1 518 . 1 1 A 44 44 GLY CA C 67 44.600 44.979 -0.379 2 1 519 . 1 1 A 44 44 GLY N N 67 111.800 110.999 0.801 2 1 520 . 1 1 A 45 45 SER H H 68 8.090 7.870 0.220 2 1 521 . 1 1 A 45 45 SER HA H 68 4.280 4.328 -0.048 2 1 524 . 1 1 A 45 45 SER C C 68 171.500 173.623 -2.123 2 1 525 . 1 1 A 45 45 SER CA C 68 60.500 58.843 1.657 2 1 526 . 1 1 A 45 45 SER CB C 68 63.800 63.884 -0.084 2 1 527 . 1 1 A 45 45 SER N N 68 117.400 117.450 -0.050 2 1 528 . 1 1 A 46 46 ARG H H 69 8.120 8.509 -0.389 2 1 529 . 1 1 A 46 46 ARG HA H 69 5.140 5.134 0.006 2 1 537 . 1 1 A 46 46 ARG C C 69 174.600 173.921 0.679 2 1 538 . 1 1 A 46 46 ARG CA C 69 54.200 53.975 0.225 2 1 539 . 1 1 A 46 46 ARG CB C 69 33.900 33.986 -0.086 2 1 542 . 1 1 A 46 46 ARG N N 69 119.800 121.815 -2.015 2 1 544 . 1 1 A 47 47 PHE H H 70 9.180 8.597 0.583 2 1 545 . 1 1 A 47 47 PHE HA H 70 4.720 5.016 -0.296 2 1 553 . 1 1 A 47 47 PHE C C 70 173.900 174.322 -0.422 2 1 554 . 1 1 A 47 47 PHE CA C 70 56.400 56.534 -0.134 2 1 555 . 1 1 A 47 47 PHE CB C 70 41.500 42.544 -1.044 2 1 561 . 1 1 A 47 47 PHE N N 70 120.800 119.283 1.517 2 1 562 . 1 1 A 48 48 LEU H H 71 8.720 8.980 -0.260 2 1 563 . 1 1 A 48 48 LEU HA H 71 4.450 4.944 -0.494 2 1 573 . 1 1 A 48 48 LEU C C 71 176.300 174.985 1.315 2 1 574 . 1 1 A 48 48 LEU CA C 71 54.900 53.727 1.173 2 1 575 . 1 1 A 48 48 LEU CB C 71 43.200 44.433 -1.233 2 1 579 . 1 1 A 48 48 LEU N N 71 125.300 124.146 1.154 2 1 580 . 1 1 A 49 49 LEU H H 72 8.730 8.800 -0.070 2 1 581 . 1 1 A 49 49 LEU HA H 72 4.770 4.674 0.096 2 1 591 . 1 1 A 49 49 LEU C C 72 174.800 176.295 -1.495 2 1 592 . 1 1 A 49 49 LEU CA C 72 53.200 54.081 -0.881 2 1 593 . 1 1 A 49 49 LEU CB C 72 40.900 41.285 -0.385 2 1 597 . 1 1 A 49 49 LEU N N 72 126.900 127.285 -0.385 2 1 598 . 1 1 A 50 50 ASP H H 73 8.350 8.475 -0.125 2 1 599 . 1 1 A 50 50 ASP HA H 73 4.790 4.948 -0.158 2 1 602 . 1 1 A 50 50 ASP C C 73 175.600 175.303 0.297 2 1 603 . 1 1 A 50 50 ASP CA C 73 53.000 53.269 -0.269 2 1 604 . 1 1 A 50 50 ASP CB C 73 41.400 40.861 0.539 2 1 605 . 1 1 A 50 50 ASP N N 73 120.400 123.735 -3.335 2 1 606 . 1 1 A 51 51 GLN H H 74 7.670 7.745 -0.075 2 1 607 . 1 1 A 51 51 GLN HA H 74 4.660 4.699 -0.040 2 1 614 . 1 1 A 51 51 GLN C C 74 175.400 175.574 -0.174 2 1 615 . 1 1 A 51 51 GLN CA C 74 53.700 54.889 -1.189 2 1 616 . 1 1 A 51 51 GLN CB C 74 31.300 31.187 0.113 2 1 619 . 1 1 A 51 51 GLN N N 74 116.200 119.223 -3.023 2 1 621 . 1 1 A 52 52 ALA H H 75 8.720 8.665 0.055 2 1 622 . 1 1 A 52 52 ALA HA H 75 4.170 4.189 -0.019 2 1 626 . 1 1 A 52 52 ALA C C 75 178.300 177.441 0.859 2 1 627 . 1 1 A 52 52 ALA CA C 75 55.700 54.241 1.459 2 1 628 . 1 1 A 52 52 ALA CB C 75 18.500 19.090 -0.590 2 1 629 . 1 1 A 52 52 ALA N N 75 123.200 124.297 -1.097 2 1 630 . 1 1 A 53 53 ILE H H 76 8.030 8.207 -0.177 2 1 631 . 1 1 A 53 53 ILE HA H 76 4.650 4.672 -0.022 2 1 641 . 1 1 A 53 53 ILE C C 76 175.100 174.762 0.338 2 1 642 . 1 1 A 53 53 ILE CA C 76 61.100 60.642 0.459 2 1 643 . 1 1 A 53 53 ILE CB C 76 40.500 39.774 0.726 2 1 647 . 1 1 A 53 53 ILE N N 76 115.400 118.161 -2.761 2 1 648 . 1 1 A 54 54 THR H H 77 8.840 8.894 -0.054 2 1 649 . 1 1 A 54 54 THR HA H 77 4.940 4.974 -0.034 2 1 654 . 1 1 A 54 54 THR C C 77 174.600 174.018 0.582 2 1 655 . 1 1 A 54 54 THR CA C 77 61.400 61.725 -0.325 2 1 656 . 1 1 A 54 54 THR CB C 77 70.300 70.643 -0.343 2 1 658 . 1 1 A 54 54 THR N N 77 125.300 124.026 1.274 2 1 659 . 1 1 A 55 55 SER H H 78 10.690 8.928 1.762 2 1 660 . 1 1 A 55 55 SER HA H 78 4.720 4.903 -0.183 2 1 663 . 1 1 A 55 55 SER C C 78 172.600 173.991 -1.391 2 1 664 . 1 1 A 55 55 SER CA C 78 57.800 57.769 0.031 2 1 665 . 1 1 A 55 55 SER CB C 78 65.200 64.569 0.631 2 1 666 . 1 1 A 55 55 SER N N 78 126.300 122.673 3.627 2 1 667 . 1 1 A 56 56 ALA H H 79 8.840 8.163 0.677 2 1 668 . 1 1 A 56 56 ALA HA H 79 5.720 4.881 0.839 2 1 672 . 1 1 A 56 56 ALA C C 79 175.800 177.562 -1.762 2 1 673 . 1 1 A 56 56 ALA CA C 79 49.800 50.865 -1.065 2 1 674 . 1 1 A 56 56 ALA CB C 79 21.900 21.698 0.202 2 1 675 . 1 1 A 56 56 ALA N N 79 123.200 124.759 -1.559 2 1 676 . 1 1 A 57 57 GLY H H 80 8.410 8.493 -0.083 2 1 677 . 1 1 A 57 57 GLY HA2 H 80 4.400 3.913 0.487 2 1 678 . 1 1 A 57 57 GLY HA3 H 80 3.970 3.975 -0.005 2 1 679 . 1 1 A 57 57 GLY C C 80 174.800 173.378 1.422 2 1 680 . 1 1 A 57 57 GLY CA C 80 46.300 46.100 0.200 2 1 681 . 1 1 A 57 57 GLY N N 80 108.700 107.914 0.786 2 1 682 . 1 1 A 58 58 ARG H H 81 8.330 8.169 0.161 2 1 683 . 1 1 A 58 58 ARG HA H 81 4.440 4.779 -0.339 2 1 690 . 1 1 A 58 58 ARG C C 81 176.400 175.436 0.964 2 1 691 . 1 1 A 58 58 ARG CA C 81 54.700 55.431 -0.731 2 1 692 . 1 1 A 58 58 ARG CB C 81 32.300 31.932 0.368 2 1 695 . 1 1 A 58 58 ARG N N 81 120.400 123.063 -2.663 2 1 696 . 1 1 A 59 59 HIS H H 82 9.040 8.688 0.352 2 1 697 . 1 1 A 59 59 HIS HA H 82 4.280 4.946 -0.666 2 1 702 . 1 1 A 59 59 HIS CA C 82 56.800 55.265 1.535 2 1 703 . 1 1 A 59 59 HIS CB C 82 30.900 31.787 -0.887 2 1 705 . 1 1 A 59 59 HIS N N 82 124.300 121.572 2.728 2 1 708 . 1 1 A 60 60 PRO HA H 83 3.640 4.258 -0.618 2 1 715 . 1 1 A 60 60 PRO C C 83 177.000 176.796 0.204 2 1 716 . 1 1 A 60 60 PRO CA C 83 64.800 64.438 0.362 2 1 717 . 1 1 A 60 60 PRO CB C 83 31.700 32.054 -0.354 2 1 720 . 1 1 A 61 61 ASP H H 84 11.140 8.573 2.567 2 1 721 . 1 1 A 61 61 ASP HA H 84 4.700 4.546 0.154 2 1 724 . 1 1 A 61 61 ASP C C 84 177.400 175.256 2.144 2 1 725 . 1 1 A 61 61 ASP CA C 84 53.900 54.619 -0.719 2 1 726 . 1 1 A 61 61 ASP CB C 84 40.500 40.395 0.105 2 1 727 . 1 1 A 61 61 ASP N N 84 121.600 118.681 2.919 2 1 728 . 1 1 A 62 62 SER H H 85 8.190 7.870 0.320 2 1 729 . 1 1 A 62 62 SER HA H 85 4.030 4.601 -0.571 2 1 733 . 1 1 A 62 62 SER C C 85 173.400 174.397 -0.997 2 1 734 . 1 1 A 62 62 SER CA C 85 60.400 57.946 2.454 2 1 735 . 1 1 A 62 62 SER CB C 85 65.200 64.441 0.759 2 1 736 . 1 1 A 62 62 SER N N 85 118.100 115.633 2.467 2 1 737 . 1 1 A 63 63 ASP H H 86 8.270 8.767 -0.497 2 1 738 . 1 1 A 63 63 ASP HA H 86 4.390 4.516 -0.126 2 1 741 . 1 1 A 63 63 ASP C C 86 177.200 176.969 0.231 2 1 742 . 1 1 A 63 63 ASP CA C 86 58.300 57.501 0.799 2 1 743 . 1 1 A 63 63 ASP CB C 86 42.100 41.132 0.968 2 1 744 . 1 1 A 63 63 ASP N N 86 125.600 124.651 0.949 2 1 745 . 1 1 A 64 64 ILE H H 87 8.470 7.721 0.749 2 1 746 . 1 1 A 64 64 ILE HA H 87 3.560 3.496 0.064 2 1 756 . 1 1 A 64 64 ILE C C 87 172.900 174.978 -2.079 2 1 757 . 1 1 A 64 64 ILE CA C 87 60.500 60.955 -0.455 2 1 758 . 1 1 A 64 64 ILE CB C 87 37.400 38.081 -0.681 2 1 762 . 1 1 A 64 64 ILE N N 87 119.500 119.419 0.081 2 1 763 . 1 1 A 65 65 PHE H H 88 8.100 8.567 -0.467 2 1 764 . 1 1 A 65 65 PHE HA H 88 5.010 5.179 -0.169 2 1 772 . 1 1 A 65 65 PHE C C 88 174.000 173.801 0.199 2 1 773 . 1 1 A 65 65 PHE CA C 88 55.600 55.937 -0.337 2 1 774 . 1 1 A 65 65 PHE CB C 88 38.800 40.301 -1.501 2 1 779 . 1 1 A 65 65 PHE N N 88 127.100 127.017 0.083 2 1 780 . 1 1 A 66 66 LEU H H 89 7.710 8.529 -0.819 2 1 781 . 1 1 A 66 66 LEU HA H 89 3.620 4.577 -0.957 2 1 791 . 1 1 A 66 66 LEU C C 89 173.500 174.866 -1.366 2 1 792 . 1 1 A 66 66 LEU CA C 89 52.100 53.591 -1.491 2 1 793 . 1 1 A 66 66 LEU CB C 89 41.300 41.969 -0.669 2 1 797 . 1 1 A 66 66 LEU N N 89 131.900 127.890 4.010 2 1 798 . 1 1 A 67 67 ASP H H 90 7.980 8.584 -0.604 2 1 799 . 1 1 A 67 67 ASP HA H 90 4.260 4.731 -0.471 2 1 802 . 1 1 A 67 67 ASP C C 90 174.800 174.751 0.049 2 1 803 . 1 1 A 67 67 ASP CA C 90 53.100 53.513 -0.413 2 1 804 . 1 1 A 67 67 ASP CB C 90 39.900 40.746 -0.846 2 1 805 . 1 1 A 67 67 ASP N N 90 120.000 125.249 -5.249 2 1 806 . 1 1 A 68 68 ASP H H 91 7.480 8.121 -0.641 2 1 807 . 1 1 A 68 68 ASP HA H 91 4.850 5.010 -0.160 2 1 810 . 1 1 A 68 68 ASP C C 91 175.600 175.840 -0.240 2 1 811 . 1 1 A 68 68 ASP CA C 91 54.900 53.404 1.496 2 1 812 . 1 1 A 68 68 ASP CB C 91 48.500 43.549 4.951 2 1 813 . 1 1 A 68 68 ASP N N 91 121.400 123.072 -1.672 2 1 814 . 1 1 A 69 69 VAL H H 92 8.370 8.682 -0.312 2 1 815 . 1 1 A 69 69 VAL HA H 92 4.060 3.884 0.176 2 1 823 . 1 1 A 69 69 VAL C C 92 175.900 177.093 -1.193 2 1 824 . 1 1 A 69 69 VAL CA C 92 64.800 64.722 0.078 2 1 825 . 1 1 A 69 69 VAL CB C 92 31.700 31.843 -0.143 2 1 828 . 1 1 A 69 69 VAL N N 92 121.900 121.741 0.159 2 1 829 . 1 1 A 70 70 THR H H 93 8.360 8.041 0.319 2 1 830 . 1 1 A 70 70 THR HA H 93 4.060 4.286 -0.226 2 1 836 . 1 1 A 70 70 THR C C 93 175.100 174.300 0.800 2 1 837 . 1 1 A 70 70 THR CA C 93 63.700 63.697 0.003 2 1 838 . 1 1 A 70 70 THR CB C 93 70.300 68.958 1.342 2 1 840 . 1 1 A 70 70 THR N N 93 111.100 114.154 -3.054 2 1 841 . 1 1 A 71 71 VAL H H 94 8.240 7.890 0.350 2 1 842 . 1 1 A 71 71 VAL HA H 94 4.520 4.134 0.386 2 1 850 . 1 1 A 71 71 VAL C C 94 176.800 175.437 1.363 2 1 851 . 1 1 A 71 71 VAL CA C 94 61.200 61.431 -0.231 2 1 852 . 1 1 A 71 71 VAL CB C 94 33.500 32.587 0.913 2 1 855 . 1 1 A 71 71 VAL N N 94 125.500 122.333 3.167 2 1 856 . 1 1 A 72 72 SER H H 95 11.410 8.637 2.773 2 1 857 . 1 1 A 72 72 SER HA H 95 4.670 4.625 0.045 2 1 860 . 1 1 A 72 72 SER C C 95 174.500 175.480 -0.980 2 1 861 . 1 1 A 72 72 SER CA C 95 60.600 57.747 2.853 2 1 862 . 1 1 A 72 72 SER CB C 95 64.200 64.530 -0.330 2 1 863 . 1 1 A 72 72 SER N N 95 126.800 121.501 5.298 2 1 864 . 1 1 A 73 73 ARG H H 96 9.260 8.711 0.549 2 1 865 . 1 1 A 73 73 ARG HA H 96 3.770 4.036 -0.266 2 1 873 . 1 1 A 73 73 ARG C C 96 176.600 176.799 -0.199 2 1 874 . 1 1 A 73 73 ARG CA C 96 61.300 59.130 2.170 2 1 875 . 1 1 A 73 73 ARG CB C 96 29.800 30.322 -0.522 2 1 878 . 1 1 A 73 73 ARG N N 96 124.600 122.594 2.006 2 1 880 . 1 1 A 74 74 ARG H H 97 7.800 7.802 -0.002 2 1 881 . 1 1 A 74 74 ARG HA H 97 4.440 4.683 -0.243 2 1 889 . 1 1 A 74 74 ARG C C 97 173.100 176.583 -3.483 2 1 890 . 1 1 A 74 74 ARG CA C 97 54.800 55.523 -0.723 2 1 891 . 1 1 A 74 74 ARG CB C 97 29.300 31.028 -1.728 2 1 894 . 1 1 A 74 74 ARG N N 97 114.800 116.776 -1.976 2 1 896 . 1 1 A 75 75 HIS H H 98 7.840 8.233 -0.393 2 1 897 . 1 1 A 75 75 HIS HA H 98 4.430 4.363 0.067 2 1 903 . 1 1 A 75 75 HIS C C 98 173.800 174.427 -0.627 2 1 904 . 1 1 A 75 75 HIS CA C 98 57.800 58.769 -0.969 2 1 905 . 1 1 A 75 75 HIS CB C 98 35.000 30.206 4.794 2 1 908 . 1 1 A 75 75 HIS N N 98 124.400 119.911 4.489 2 1 910 . 1 1 A 76 76 ALA H H 99 8.490 7.733 0.757 2 1 911 . 1 1 A 76 76 ALA HA H 99 5.580 4.506 1.073 2 1 915 . 1 1 A 76 76 ALA C C 99 176.500 174.865 1.635 2 1 916 . 1 1 A 76 76 ALA CA C 99 50.300 51.055 -0.755 2 1 917 . 1 1 A 76 76 ALA CB C 99 23.200 22.795 0.405 2 1 918 . 1 1 A 76 76 ALA N N 99 116.600 118.618 -2.018 2 1 919 . 1 1 A 77 77 GLU H H 100 9.030 8.408 0.622 2 1 920 . 1 1 A 77 77 GLU HA H 100 5.030 4.862 0.168 2 1 925 . 1 1 A 77 77 GLU C C 100 174.100 174.390 -0.290 2 1 926 . 1 1 A 77 77 GLU CA C 100 54.500 55.026 -0.526 2 1 927 . 1 1 A 77 77 GLU CB C 100 34.900 33.544 1.356 2 1 929 . 1 1 A 77 77 GLU N N 100 118.100 120.670 -2.570 2 1 930 . 1 1 A 78 78 PHE H H 101 9.400 8.822 0.578 2 1 931 . 1 1 A 78 78 PHE HA H 101 5.400 5.401 -0.001 2 1 939 . 1 1 A 78 78 PHE C C 101 176.500 175.042 1.458 2 1 940 . 1 1 A 78 78 PHE CA C 101 56.700 56.691 0.009 2 1 941 . 1 1 A 78 78 PHE CB C 101 41.000 42.039 -1.039 2 1 946 . 1 1 A 78 78 PHE N N 101 119.600 124.105 -4.505 2 1 947 . 1 1 A 79 79 ARG H H 102 9.720 8.851 0.869 2 1 948 . 1 1 A 79 79 ARG HA H 102 5.490 5.161 0.329 2 1 956 . 1 1 A 79 79 ARG C C 102 174.300 174.175 0.125 2 1 957 . 1 1 A 79 79 ARG CA C 102 54.800 54.427 0.373 2 1 958 . 1 1 A 79 79 ARG CB C 102 33.100 34.157 -1.056 2 1 961 . 1 1 A 79 79 ARG N N 102 126.100 121.516 4.584 2 1 963 . 1 1 A 80 80 LEU H H 103 9.020 8.653 0.367 2 1 964 . 1 1 A 80 80 LEU HA H 103 4.400 4.836 -0.436 2 1 974 . 1 1 A 80 80 LEU C C 103 176.100 175.531 0.569 2 1 975 . 1 1 A 80 80 LEU CA C 103 54.100 53.948 0.152 2 1 976 . 1 1 A 80 80 LEU CB C 103 42.600 43.881 -1.281 2 1 980 . 1 1 A 80 80 LEU N N 103 128.000 126.340 1.660 2 1 981 . 1 1 A 81 81 GLU H H 104 8.860 8.614 0.246 2 1 982 . 1 1 A 81 81 GLU HA H 104 4.430 4.508 -0.078 2 1 987 . 1 1 A 81 81 GLU C C 104 175.800 176.141 -0.341 2 1 988 . 1 1 A 81 81 GLU CA C 104 55.500 55.821 -0.321 2 1 989 . 1 1 A 81 81 GLU CB C 104 32.600 31.187 1.413 2 1 991 . 1 1 A 81 81 GLU N N 104 128.600 125.986 2.614 2 1 992 . 1 1 A 82 82 ASN H H 105 9.410 8.756 0.654 2 1 993 . 1 1 A 82 82 ASN HA H 105 4.200 4.515 -0.315 2 1 998 . 1 1 A 82 82 ASN C C 105 174.300 175.181 -0.881 2 1 999 . 1 1 A 82 82 ASN CA C 105 54.700 54.599 0.101 2 1 1000 . 1 1 A 82 82 ASN CB C 105 37.200 37.864 -0.664 2 1 1002 . 1 1 A 82 82 ASN N N 105 124.600 121.705 2.895 2 1 1004 . 1 1 A 83 83 ASN H H 106 8.640 8.200 0.441 2 1 1005 . 1 1 A 83 83 ASN HA H 106 4.010 4.500 -0.490 2 1 1010 . 1 1 A 83 83 ASN C C 106 173.100 174.092 -0.992 2 1 1011 . 1 1 A 83 83 ASN CA C 106 54.900 53.453 1.447 2 1 1012 . 1 1 A 83 83 ASN CB C 106 38.100 38.352 -0.252 2 1 1014 . 1 1 A 83 83 ASN N N 106 108.900 114.698 -5.798 2 1 1016 . 1 1 A 84 84 GLU H H 107 7.660 7.766 -0.106 2 1 1017 . 1 1 A 84 84 GLU HA H 107 4.660 4.751 -0.091 2 1 1022 . 1 1 A 84 84 GLU C C 107 174.300 175.296 -0.996 2 1 1023 . 1 1 A 84 84 GLU CA C 107 54.700 54.824 -0.124 2 1 1024 . 1 1 A 84 84 GLU CB C 107 32.900 32.732 0.168 2 1 1026 . 1 1 A 84 84 GLU N N 107 118.300 117.742 0.558 2 1 1027 . 1 1 A 85 85 PHE H H 108 9.690 8.647 1.043 2 1 1028 . 1 1 A 85 85 PHE HA H 108 5.000 4.818 0.182 2 1 1035 . 1 1 A 85 85 PHE C C 108 174.500 175.513 -1.013 2 1 1036 . 1 1 A 85 85 PHE CA C 108 58.600 58.372 0.228 2 1 1037 . 1 1 A 85 85 PHE CB C 108 41.800 40.375 1.425 2 1 1042 . 1 1 A 85 85 PHE N N 108 121.100 121.062 0.038 2 1 1043 . 1 1 A 86 86 ASN H H 109 9.180 9.000 0.180 2 1 1044 . 1 1 A 86 86 ASN HA H 109 5.580 5.356 0.224 2 1 1049 . 1 1 A 86 86 ASN C C 109 175.000 173.507 1.493 2 1 1050 . 1 1 A 86 86 ASN CA C 109 51.200 52.233 -1.033 2 1 1051 . 1 1 A 86 86 ASN CB C 109 42.100 42.722 -0.622 2 1 1053 . 1 1 A 86 86 ASN N N 109 119.400 118.584 0.816 2 1 1055 . 1 1 A 87 87 VAL H H 110 9.060 8.781 0.279 2 1 1056 . 1 1 A 87 87 VAL HA H 110 4.940 4.939 0.001 2 1 1064 . 1 1 A 87 87 VAL C C 110 171.700 173.576 -1.876 2 1 1065 . 1 1 A 87 87 VAL CA C 110 58.400 59.823 -1.423 2 1 1066 . 1 1 A 87 87 VAL CB C 110 33.800 34.883 -1.083 2 1 1069 . 1 1 A 87 87 VAL N N 110 121.300 120.101 1.199 2 1 1070 . 1 1 A 88 88 VAL H H 111 8.640 8.911 -0.271 2 1 1071 . 1 1 A 88 88 VAL HA H 111 4.590 4.561 0.029 2 1 1079 . 1 1 A 88 88 VAL C C 111 175.700 174.056 1.644 2 1 1080 . 1 1 A 88 88 VAL CA C 111 60.100 60.475 -0.375 2 1 1081 . 1 1 A 88 88 VAL CB C 111 36.200 34.972 1.228 2 1 1084 . 1 1 A 88 88 VAL N N 111 125.500 127.985 -2.485 2 1 1085 . 1 1 A 89 89 ASP H H 112 8.480 8.423 0.057 2 1 1086 . 1 1 A 89 89 ASP HA H 112 4.870 4.802 0.068 2 1 1089 . 1 1 A 89 89 ASP C C 112 177.200 176.354 0.846 2 1 1090 . 1 1 A 89 89 ASP CA C 112 54.700 53.243 1.457 2 1 1091 . 1 1 A 89 89 ASP CB C 112 43.600 41.784 1.816 2 1 1092 . 1 1 A 89 89 ASP N N 112 126.600 127.047 -0.447 2 1 1093 . 1 1 A 90 90 VAL H H 113 7.980 8.392 -0.412 2 1 1094 . 1 1 A 90 90 VAL HA H 113 4.540 4.222 0.318 2 1 1102 . 1 1 A 90 90 VAL C C 113 174.400 176.378 -1.978 2 1 1103 . 1 1 A 90 90 VAL CA C 113 60.300 62.071 -1.771 2 1 1104 . 1 1 A 90 90 VAL CB C 113 29.500 31.977 -2.477 2 1 1107 . 1 1 A 90 90 VAL N N 113 119.700 121.205 -1.505 2 1 1108 . 1 1 A 91 91 GLY H H 114 8.600 8.189 0.411 2 1 1109 . 1 1 A 91 91 GLY HA2 H 114 4.260 3.929 0.331 2 1 1110 . 1 1 A 91 91 GLY HA3 H 114 3.720 3.966 -0.246 2 1 1111 . 1 1 A 91 91 GLY C C 114 175.300 174.013 1.287 2 1 1112 . 1 1 A 91 91 GLY CA C 114 45.700 45.139 0.561 2 1 1113 . 1 1 A 91 91 GLY N N 114 111.300 111.792 -0.492 2 1 1114 . 1 1 A 92 92 SER H H 115 9.190 8.419 0.771 2 1 1115 . 1 1 A 92 92 SER HA H 115 3.890 4.365 -0.475 2 1 1118 . 1 1 A 92 92 SER C C 115 174.500 174.709 -0.209 2 1 1119 . 1 1 A 92 92 SER CA C 115 58.600 59.355 -0.755 2 1 1120 . 1 1 A 92 92 SER CB C 115 61.300 63.073 -1.773 2 1 1121 . 1 1 A 92 92 SER N N 115 121.000 116.322 4.679 2 1 1122 . 1 1 A 93 93 LEU H H 116 7.720 8.326 -0.606 2 1 1123 . 1 1 A 93 93 LEU HA H 116 4.250 4.177 0.073 2 1 1133 . 1 1 A 93 93 LEU C C 116 179.100 176.693 2.407 2 1 1134 . 1 1 A 93 93 LEU CA C 116 57.200 56.500 0.700 2 1 1135 . 1 1 A 93 93 LEU CB C 116 42.100 42.082 0.018 2 1 1139 . 1 1 A 93 93 LEU N N 116 120.500 123.380 -2.880 2 1 1140 . 1 1 A 94 94 ASN H H 117 8.450 8.373 0.077 2 1 1141 . 1 1 A 94 94 ASN HA H 117 4.870 4.709 0.161 2 1 1146 . 1 1 A 94 94 ASN C C 117 175.800 175.191 0.609 2 1 1147 . 1 1 A 94 94 ASN CA C 117 54.000 53.683 0.317 2 1 1148 . 1 1 A 94 94 ASN CB C 117 40.100 39.037 1.063 2 1 1150 . 1 1 A 94 94 ASN N N 117 112.500 119.266 -6.766 2 1 1152 . 1 1 A 95 95 GLY H H 118 7.940 8.332 -0.392 2 1 1153 . 1 1 A 95 95 GLY HA2 H 118 4.190 3.971 0.219 2 1 1154 . 1 1 A 95 95 GLY HA3 H 118 3.610 4.064 -0.454 2 1 1155 . 1 1 A 95 95 GLY C C 118 174.000 173.290 0.710 2 1 1156 . 1 1 A 95 95 GLY CA C 118 44.300 45.672 -1.372 2 1 1157 . 1 1 A 95 95 GLY N N 118 109.800 109.647 0.153 2 1 1158 . 1 1 A 96 96 THR H H 119 8.940 8.246 0.694 2 1 1159 . 1 1 A 96 96 THR HA H 119 3.820 4.330 -0.510 2 1 1165 . 1 1 A 96 96 THR C C 119 172.300 173.793 -1.493 2 1 1166 . 1 1 A 96 96 THR CA C 119 64.100 62.913 1.186 2 1 1167 . 1 1 A 96 96 THR CB C 119 70.200 69.456 0.744 2 1 1169 . 1 1 A 96 96 THR N N 119 122.000 116.143 5.857 2 1 1170 . 1 1 A 97 97 TYR H H 120 8.220 8.500 -0.280 2 1 1171 . 1 1 A 97 97 TYR HA H 120 5.340 5.462 -0.122 2 1 1178 . 1 1 A 97 97 TYR C C 120 175.900 173.080 2.820 2 1 1179 . 1 1 A 97 97 TYR CA C 120 55.600 55.806 -0.206 2 1 1180 . 1 1 A 97 97 TYR CB C 120 41.400 42.037 -0.637 2 1 1185 . 1 1 A 97 97 TYR N N 120 122.800 123.181 -0.381 2 1 1186 . 1 1 A 98 98 VAL H H 121 9.040 8.753 0.287 2 1 1187 . 1 1 A 98 98 VAL HA H 121 5.010 4.779 0.231 2 1 1195 . 1 1 A 98 98 VAL C C 121 176.900 175.576 1.324 2 1 1196 . 1 1 A 98 98 VAL CA C 121 61.100 59.773 1.327 2 1 1197 . 1 1 A 98 98 VAL CB C 121 33.000 34.443 -1.443 2 1 1200 . 1 1 A 98 98 VAL N N 121 121.400 121.316 0.084 2 1 1201 . 1 1 A 99 99 ASN H H 122 10.100 9.210 0.890 2 1 1202 . 1 1 A 99 99 ASN HA H 122 4.440 4.499 -0.059 2 1 1207 . 1 1 A 99 99 ASN C C 122 174.500 175.653 -1.153 2 1 1208 . 1 1 A 99 99 ASN CA C 122 55.000 55.118 -0.118 2 1 1209 . 1 1 A 99 99 ASN CB C 122 37.000 37.413 -0.413 2 1 1211 . 1 1 A 99 99 ASN N N 122 129.400 126.791 2.609 2 1 1213 . 1 1 A 100 100 ARG H H 123 9.290 8.553 0.737 2 1 1214 . 1 1 A 100 100 ARG HA H 123 3.680 4.073 -0.393 2 1 1222 . 1 1 A 100 100 ARG C C 123 175.200 175.474 -0.274 2 1 1223 . 1 1 A 100 100 ARG CA C 123 58.100 57.451 0.649 2 1 1224 . 1 1 A 100 100 ARG CB C 123 27.600 29.491 -1.891 2 1 1227 . 1 1 A 100 100 ARG N N 123 106.100 117.969 -11.869 2 1 1229 . 1 1 A 101 101 GLU H H 124 7.970 7.885 0.085 2 1 1230 . 1 1 A 101 101 GLU HA H 124 5.110 4.753 0.357 2 1 1235 . 1 1 A 101 101 GLU CA C 124 53.000 53.551 -0.551 2 1 1236 . 1 1 A 101 101 GLU CB C 124 30.900 30.936 -0.036 2 1 1238 . 1 1 A 101 101 GLU N N 124 121.300 118.597 2.703 2 1 1239 . 1 1 A 102 102 PRO HA H 125 4.050 4.754 -0.704 2 1 1246 . 1 1 A 102 102 PRO C C 125 177.500 176.295 1.205 2 1 1247 . 1 1 A 102 102 PRO CA C 125 62.300 63.029 -0.729 2 1 1248 . 1 1 A 102 102 PRO CB C 125 31.300 32.141 -0.841 2 1 1251 . 1 1 A 103 103 VAL H H 126 8.330 8.234 0.096 2 1 1252 . 1 1 A 103 103 VAL HA H 126 4.700 4.795 -0.095 2 1 1260 . 1 1 A 103 103 VAL C C 126 174.500 175.376 -0.876 2 1 1261 . 1 1 A 103 103 VAL CA C 126 58.900 59.565 -0.665 2 1 1262 . 1 1 A 103 103 VAL CB C 126 35.300 35.599 -0.299 2 1 1265 . 1 1 A 103 103 VAL N N 126 115.000 117.769 -2.769 2 1 1266 . 1 1 A 104 104 ASP H H 127 8.520 8.819 -0.299 2 1 1267 . 1 1 A 104 104 ASP HA H 127 4.780 4.490 0.290 2 1 1270 . 1 1 A 104 104 ASP C C 127 176.200 176.035 0.165 2 1 1271 . 1 1 A 104 104 ASP CA C 127 55.800 56.246 -0.446 2 1 1272 . 1 1 A 104 104 ASP CB C 127 41.100 41.706 -0.606 2 1 1273 . 1 1 A 104 104 ASP N N 127 120.800 123.402 -2.602 2 1 1274 . 1 1 A 105 105 SER H H 128 7.650 7.816 -0.166 2 1 1275 . 1 1 A 105 105 SER HA H 128 5.440 4.864 0.576 2 1 1278 . 1 1 A 105 105 SER C C 128 173.400 172.654 0.746 2 1 1279 . 1 1 A 105 105 SER CA C 128 56.600 57.614 -1.014 2 1 1280 . 1 1 A 105 105 SER CB C 128 65.000 65.198 -0.198 2 1 1281 . 1 1 A 105 105 SER N N 128 111.500 111.514 -0.014 2 1 1282 . 1 1 A 106 106 ALA H H 129 8.790 8.116 0.674 2 1 1283 . 1 1 A 106 106 ALA HA H 129 4.610 4.913 -0.303 2 1 1287 . 1 1 A 106 106 ALA C C 129 175.300 176.048 -0.747 2 1 1288 . 1 1 A 106 106 ALA CA C 129 52.100 51.363 0.737 2 1 1289 . 1 1 A 106 106 ALA CB C 129 22.600 23.128 -0.528 2 1 1290 . 1 1 A 106 106 ALA N N 129 125.100 122.548 2.552 2 1 1291 . 1 1 A 107 107 VAL H H 130 8.340 8.691 -0.351 2 1 1292 . 1 1 A 107 107 VAL HA H 130 4.160 4.516 -0.356 2 1 1300 . 1 1 A 107 107 VAL C C 130 176.300 175.891 0.409 2 1 1301 . 1 1 A 107 107 VAL CA C 130 62.600 61.876 0.724 2 1 1302 . 1 1 A 107 107 VAL CB C 130 32.000 32.509 -0.509 2 1 1305 . 1 1 A 107 107 VAL N N 130 122.800 119.281 3.519 2 1 1306 . 1 1 A 108 108 LEU H H 131 8.490 8.545 -0.055 2 1 1307 . 1 1 A 108 108 LEU HA H 131 4.370 4.338 0.031 2 1 1317 . 1 1 A 108 108 LEU C C 131 175.200 175.826 -0.626 2 1 1318 . 1 1 A 108 108 LEU CA C 131 54.200 54.425 -0.225 2 1 1319 . 1 1 A 108 108 LEU CB C 131 43.000 42.028 0.972 2 1 1323 . 1 1 A 108 108 LEU N N 131 128.900 127.883 1.017 2 1 1324 . 1 1 A 109 109 ALA H H 132 9.130 8.773 0.357 2 1 1325 . 1 1 A 109 109 ALA HA H 132 4.750 4.919 -0.169 2 1 1329 . 1 1 A 109 109 ALA C C 132 176.500 176.154 0.346 2 1 1330 . 1 1 A 109 109 ALA CA C 132 49.700 50.805 -1.105 2 1 1331 . 1 1 A 109 109 ALA CB C 132 22.400 23.204 -0.804 2 1 1332 . 1 1 A 109 109 ALA N N 132 126.000 122.469 3.531 2 1 1333 . 1 1 A 110 110 ASN H H 133 8.860 8.833 0.027 2 1 1334 . 1 1 A 110 110 ASN HA H 133 4.430 4.595 -0.165 2 1 1339 . 1 1 A 110 110 ASN C C 133 176.400 176.324 0.076 2 1 1340 . 1 1 A 110 110 ASN CA C 133 56.400 54.979 1.421 2 1 1341 . 1 1 A 110 110 ASN CB C 133 39.800 38.119 1.681 2 1 1343 . 1 1 A 110 110 ASN N N 133 117.600 119.058 -1.458 2 1 1345 . 1 1 A 111 111 GLY H H 134 10.100 8.783 1.317 2 1 1346 . 1 1 A 111 111 GLY HA2 H 134 4.430 3.923 0.507 2 1 1347 . 1 1 A 111 111 GLY HA3 H 134 3.410 3.935 -0.525 2 1 1348 . 1 1 A 111 111 GLY C C 134 174.800 174.110 0.690 2 1 1349 . 1 1 A 111 111 GLY CA C 134 45.100 45.705 -0.605 2 1 1350 . 1 1 A 111 111 GLY N N 134 117.200 112.825 4.375 2 1 1351 . 1 1 A 112 112 ASP H H 135 8.640 8.010 0.630 2 1 1352 . 1 1 A 112 112 ASP HA H 135 4.430 4.930 -0.500 2 1 1355 . 1 1 A 112 112 ASP C C 135 174.700 175.120 -0.420 2 1 1356 . 1 1 A 112 112 ASP CA C 135 56.200 53.800 2.400 2 1 1357 . 1 1 A 112 112 ASP CB C 135 42.100 42.278 -0.178 2 1 1358 . 1 1 A 112 112 ASP N N 135 122.900 120.965 1.935 2 1 1359 . 1 1 A 113 113 GLU H H 136 8.360 8.700 -0.340 2 1 1360 . 1 1 A 113 113 GLU HA H 136 5.220 5.079 0.141 2 1 1365 . 1 1 A 113 113 GLU C C 136 176.000 175.366 0.634 2 1 1366 . 1 1 A 113 113 GLU CA C 136 54.400 55.110 -0.710 2 1 1367 . 1 1 A 113 113 GLU CB C 136 32.900 32.485 0.415 2 1 1369 . 1 1 A 113 113 GLU N N 136 119.000 122.180 -3.180 2 1 1370 . 1 1 A 114 114 VAL H H 137 9.800 8.933 0.867 2 1 1371 . 1 1 A 114 114 VAL HA H 137 5.160 4.888 0.272 2 1 1379 . 1 1 A 114 114 VAL C C 137 174.400 174.445 -0.045 2 1 1380 . 1 1 A 114 114 VAL CA C 137 60.400 60.912 -0.512 2 1 1381 . 1 1 A 114 114 VAL CB C 137 34.300 34.836 -0.535 2 1 1384 . 1 1 A 114 114 VAL N N 137 129.000 124.888 4.112 2 1 1385 . 1 1 A 115 115 GLN H H 138 9.610 8.921 0.689 2 1 1386 . 1 1 A 115 115 GLN HA H 138 5.430 5.150 0.280 2 1 1393 . 1 1 A 115 115 GLN C C 138 174.800 174.386 0.414 2 1 1394 . 1 1 A 115 115 GLN CA C 138 54.500 54.107 0.393 2 1 1395 . 1 1 A 115 115 GLN CB C 138 30.700 31.798 -1.098 2 1 1398 . 1 1 A 115 115 GLN N N 138 129.300 127.410 1.890 2 1 1399 . 1 1 A 116 116 ILE H H 139 8.400 8.598 -0.198 2 1 1400 . 1 1 A 116 116 ILE HA H 139 4.020 4.500 -0.480 2 1 1410 . 1 1 A 116 116 ILE C C 139 174.500 176.350 -1.850 2 1 1411 . 1 1 A 116 116 ILE CA C 139 60.600 60.040 0.560 2 1 1412 . 1 1 A 116 116 ILE CB C 139 40.900 40.235 0.665 2 1 1416 . 1 1 A 116 116 ILE N N 139 128.300 127.000 1.300 2 1 1417 . 1 1 A 117 117 GLY H H 140 9.650 8.822 0.828 2 1 1418 . 1 1 A 117 117 GLY HA2 H 140 3.820 3.801 0.019 2 1 1419 . 1 1 A 117 117 GLY HA3 H 140 3.630 3.861 -0.231 2 1 1420 . 1 1 A 117 117 GLY C C 140 175.400 174.813 0.587 2 1 1421 . 1 1 A 117 117 GLY CA C 140 46.500 47.034 -0.534 2 1 1422 . 1 1 A 117 117 GLY N N 140 116.800 115.995 0.805 2 1 1423 . 1 1 A 118 118 LYS H H 141 7.960 8.624 -0.664 2 1 1424 . 1 1 A 118 118 LYS HA H 141 4.070 4.335 -0.265 2 1 1433 . 1 1 A 118 118 LYS C C 141 175.600 176.234 -0.634 2 1 1434 . 1 1 A 118 118 LYS CA C 141 56.700 57.131 -0.431 2 1 1435 . 1 1 A 118 118 LYS CB C 141 32.600 33.327 -0.727 2 1 1439 . 1 1 A 118 118 LYS N N 141 122.400 124.490 -2.090 2 1 1440 . 1 1 A 119 119 PHE H H 142 8.260 7.716 0.544 2 1 1441 . 1 1 A 119 119 PHE HA H 142 4.540 4.724 -0.184 2 1 1449 . 1 1 A 119 119 PHE C C 142 174.700 175.847 -1.147 2 1 1450 . 1 1 A 119 119 PHE CA C 142 58.200 58.144 0.056 2 1 1451 . 1 1 A 119 119 PHE CB C 142 39.900 40.470 -0.570 2 1 1456 . 1 1 A 119 119 PHE N N 142 119.500 118.573 0.927 2 1 1457 . 1 1 A 120 120 ARG H H 143 8.690 8.712 -0.022 2 1 1458 . 1 1 A 120 120 ARG HA H 143 5.020 5.099 -0.079 2 1 1465 . 1 1 A 120 120 ARG C C 143 174.800 175.399 -0.599 2 1 1466 . 1 1 A 120 120 ARG CA C 143 55.100 55.022 0.078 2 1 1467 . 1 1 A 120 120 ARG CB C 143 32.800 32.961 -0.161 2 1 1470 . 1 1 A 120 120 ARG N N 143 121.500 122.279 -0.780 2 1 1471 . 1 1 A 121 121 LEU H H 144 9.760 9.061 0.699 2 1 1472 . 1 1 A 121 121 LEU HA H 144 5.420 5.219 0.201 2 1 1482 . 1 1 A 121 121 LEU C C 144 175.000 175.331 -0.331 2 1 1483 . 1 1 A 121 121 LEU CA C 144 53.900 53.483 0.417 2 1 1484 . 1 1 A 121 121 LEU CB C 144 44.900 46.092 -1.192 2 1 1488 . 1 1 A 121 121 LEU N N 144 126.400 125.344 1.057 2 1 1489 . 1 1 A 122 122 VAL H H 145 9.370 8.940 0.430 2 1 1490 . 1 1 A 122 122 VAL HA H 145 5.010 5.104 -0.094 2 1 1498 . 1 1 A 122 122 VAL C C 145 173.700 173.406 0.294 2 1 1499 . 1 1 A 122 122 VAL CA C 145 60.800 59.479 1.321 2 1 1500 . 1 1 A 122 122 VAL CB C 145 34.300 34.815 -0.515 2 1 1503 . 1 1 A 122 122 VAL N N 145 121.900 121.836 0.064 2 1 1504 . 1 1 A 123 123 PHE H H 146 8.830 9.173 -0.343 2 1 1505 . 1 1 A 123 123 PHE HA H 146 4.980 4.856 0.124 2 1 1513 . 1 1 A 123 123 PHE C C 146 172.700 174.054 -1.354 2 1 1514 . 1 1 A 123 123 PHE CA C 146 57.100 56.518 0.582 2 1 1515 . 1 1 A 123 123 PHE CB C 146 41.100 39.996 1.104 2 1 1521 . 1 1 A 123 123 PHE N N 146 128.700 130.172 -1.472 2 1 1522 . 1 1 A 124 124 LEU H H 147 8.650 8.309 0.341 2 1 1523 . 1 1 A 124 124 LEU HA H 147 5.020 4.906 0.114 2 1 1533 . 1 1 A 124 124 LEU C C 147 175.300 175.735 -0.435 2 1 1534 . 1 1 A 124 124 LEU CA C 147 52.600 53.274 -0.674 2 1 1535 . 1 1 A 124 124 LEU CB C 147 45.600 45.709 -0.109 2 1 1539 . 1 1 A 124 124 LEU N N 147 128.000 128.351 -0.351 2 1 1540 . 1 1 A 125 125 THR H H 148 8.300 8.579 -0.279 2 1 1541 . 1 1 A 125 125 THR HA H 148 4.330 4.761 -0.431 2 1 1546 . 1 1 A 125 125 THR C C 148 173.900 174.703 -0.803 2 1 1547 . 1 1 A 125 125 THR CA C 148 60.200 60.000 0.200 2 1 1548 . 1 1 A 125 125 THR CB C 148 70.300 71.370 -1.070 2 1 1550 . 1 1 A 125 125 THR N N 148 110.600 113.348 -2.748 2 1 1551 . 1 1 A 126 126 GLY H H 149 8.310 8.656 -0.346 2 1 1552 . 1 1 A 126 126 GLY HA2 H 149 3.840 3.845 -0.005 2 1 1553 . 1 1 A 126 126 GLY HA3 H 149 3.840 3.887 -0.047 2 1 1554 . 1 1 A 126 126 GLY CA C 149 45.200 46.499 -1.299 2 1 1555 . 1 1 A 126 126 GLY N N 149 109.800 110.176 -0.376 2 1 1556 . 1 1 A 127 127 HIS H H 150 8.310 8.224 0.086 2 1 1557 . 1 1 A 127 127 HIS HA H 150 4.630 4.544 0.086 2 1 1562 . 1 1 A 127 127 HIS C C 150 174.800 174.736 0.064 2 1 1563 . 1 1 A 127 127 HIS CA C 150 55.900 56.220 -0.320 2 1 1564 . 1 1 A 127 127 HIS CB C 150 30.700 29.898 0.802 2 1 1567 . 1 1 A 127 127 HIS N N 150 119.300 119.726 -0.426 2 1 1570 . 1 1 A 128 128 LYS H H 151 8.490 8.358 0.132 2 1 1571 . 1 1 A 128 128 LYS HA H 151 4.300 4.199 0.101 2 1 1580 . 1 1 A 128 128 LYS C C 151 176.200 176.240 -0.040 2 1 1581 . 1 1 A 128 128 LYS CA C 151 56.100 56.600 -0.500 2 1 1582 . 1 1 A 128 128 LYS CB C 151 33.200 32.909 0.291 2 1 1586 . 1 1 A 128 128 LYS N N 151 123.800 121.577 2.223 2 1 1587 . 1 1 A 129 129 GLN H H 152 8.640 8.305 0.335 2 1 1588 . 1 1 A 129 129 GLN HA H 152 4.270 4.367 -0.097 2 1 1595 . 1 1 A 129 129 GLN C C 152 176.500 175.892 0.608 2 1 1596 . 1 1 A 129 129 GLN CA C 152 56.400 56.320 0.080 2 1 1597 . 1 1 A 129 129 GLN CB C 152 29.500 29.430 0.070 2 1 1600 . 1 1 A 129 129 GLN N N 152 122.900 121.341 1.559 2 1 1602 . 1 1 A 130 130 GLY H H 153 8.640 8.475 0.165 2 1 1603 . 1 1 A 130 130 GLY HA2 H 153 3.990 4.050 -0.060 2 1 1604 . 1 1 A 130 130 GLY HA3 H 153 3.910 4.064 -0.154 2 1 1605 . 1 1 A 130 130 GLY C C 153 174.100 173.972 0.128 2 1 1606 . 1 1 A 130 130 GLY CA C 153 45.400 45.340 0.060 2 1 1607 . 1 1 A 130 130 GLY N N 153 111.100 109.707 1.393 2 1 1608 . 1 1 A 131 131 GLU H H 154 8.220 8.385 -0.165 2 1 1609 . 1 1 A 131 131 GLU HA H 154 4.260 4.306 -0.046 2 1 1614 . 1 1 A 131 131 GLU C C 154 176.100 175.918 0.182 2 1 1615 . 1 1 A 131 131 GLU CA C 154 56.600 56.878 -0.278 2 1 1616 . 1 1 A 131 131 GLU CB C 154 30.600 30.124 0.476 2 1 1618 . 1 1 A 131 131 GLU N N 154 120.500 120.736 -0.236 2 1 1619 . 1 1 A 132 132 ASP H H 155 8.530 8.430 0.100 2 1 1620 . 1 1 A 132 132 ASP HA H 155 4.560 4.579 -0.019 2 1 1623 . 1 1 A 132 132 ASP C C 155 176.300 175.720 0.580 2 1 1624 . 1 1 A 132 132 ASP CA C 155 54.300 54.431 -0.131 2 1 1625 . 1 1 A 132 132 ASP CB C 155 41.000 41.032 -0.032 2 1 1626 . 1 1 A 132 132 ASP N N 155 121.300 121.741 -0.441 2 1 1627 . 1 1 A 133 133 LEU H H 156 8.230 8.292 -0.062 2 1 1628 . 1 1 A 133 133 LEU HA H 156 4.200 4.219 -0.019 2 1 1638 . 1 1 A 133 133 LEU C C 156 177.700 176.670 1.030 2 1 1639 . 1 1 A 133 133 LEU CA C 156 55.500 55.530 -0.030 2 1 1640 . 1 1 A 133 133 LEU CB C 156 42.100 41.996 0.104 2 1 1644 . 1 1 A 133 133 LEU N N 156 122.500 121.993 0.507 2 1 1645 . 1 1 A 134 134 GLU H H 157 8.270 8.584 -0.314 2 1 1646 . 1 1 A 134 134 GLU HA H 157 4.100 4.425 -0.325 2 1 1651 . 1 1 A 134 134 GLU C C 157 177.300 176.363 0.937 2 1 1652 . 1 1 A 134 134 GLU CA C 157 56.900 56.703 0.197 2 1 1653 . 1 1 A 134 134 GLU CB C 157 30.000 30.219 -0.219 2 1 1655 . 1 1 A 134 134 GLU N N 157 119.800 121.946 -2.146 2 1 1656 . 1 1 A 135 135 HIS H H 158 8.150 8.374 -0.224 2 1 1657 . 1 1 A 135 135 HIS HA H 158 4.530 4.657 -0.127 2 1 1662 . 1 1 A 135 135 HIS CA C 158 56.100 56.674 -0.574 2 1 1663 . 1 1 A 135 135 HIS CB C 158 30.000 30.728 -0.728 2 1 1664 . 1 1 A 135 135 HIS N N 158 118.500 120.086 -1.586 2 1 1665 . 1 1 A 139 139 HIS HA H 162 4.590 4.514 0.076 2 1 1668 . 1 1 A 139 139 HIS C C 162 173.900 174.973 -1.073 2 1 1669 . 1 1 A 139 139 HIS CA C 162 55.900 56.366 -0.466 2 1 1670 . 1 1 A 139 139 HIS CB C 162 30.100 30.776 -0.676 2 stop_ save_