data_16038_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16038 _Entry.PDB_ID 2KB3 _Entry.NMR_STAR_version 3.0.9.100 save_ save_delta_chem_shifts_single _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single _Entity_delta_chem_shifts.Conformer_type "single" _Entity_delta_chem_shifts.Conformer_count 30 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 4 . 1 1 1 A 2 2 SER H H 2 8.404 8.965 -0.561 1 1 5 . 1 1 1 A 2 2 SER HA H 2 4.430 4.612 -0.182 1 1 8 . 1 1 1 A 2 2 SER C C 2 174.220 173.344 0.876 1 1 9 . 1 1 1 A 2 2 SER CA C 2 58.650 59.497 -0.847 1 1 10 . 1 1 1 A 2 2 SER CB C 2 64.280 65.797 -1.517 1 1 11 . 1 1 1 A 2 2 SER N N 2 116.880 117.730 -0.850 1 1 12 . 1 1 1 A 3 3 ASP H H 3 8.314 7.680 0.634 1 1 13 . 1 1 1 A 3 3 ASP HA H 3 4.594 4.603 -0.009 1 1 16 . 1 1 1 A 3 3 ASP C C 3 176.070 175.903 0.167 1 1 17 . 1 1 1 A 3 3 ASP CA C 3 54.580 53.165 1.415 1 1 18 . 1 1 1 A 3 3 ASP CB C 3 41.530 42.374 -0.844 1 1 19 . 1 1 1 A 3 3 ASP N N 3 122.210 118.075 4.135 1 1 20 . 1 1 1 A 4 4 ASN H H 4 8.326 8.597 -0.271 1 1 21 . 1 1 1 A 4 4 ASN HA H 4 4.748 4.849 -0.101 1 1 24 . 1 1 1 A 4 4 ASN C C 4 175.130 174.815 0.315 1 1 25 . 1 1 1 A 4 4 ASN CA C 4 53.430 53.323 0.107 1 1 26 . 1 1 1 A 4 4 ASN CB C 4 38.920 38.415 0.505 1 1 27 . 1 1 1 A 4 4 ASN N N 4 118.670 118.516 0.154 1 1 28 . 1 1 1 A 5 5 ASN H H 5 8.467 8.610 -0.143 1 1 29 . 1 1 1 A 5 5 ASN HA H 5 4.702 4.962 -0.260 1 1 32 . 1 1 1 A 5 5 ASN C C 5 175.700 175.685 0.015 1 1 33 . 1 1 1 A 5 5 ASN CA C 5 53.610 53.995 -0.385 1 1 34 . 1 1 1 A 5 5 ASN CB C 5 39.090 37.167 1.923 1 1 35 . 1 1 1 A 5 5 ASN N N 5 119.070 123.208 -4.138 1 1 36 . 1 1 1 A 6 6 GLY H H 6 8.333 8.424 -0.091 1 1 37 . 1 1 1 A 6 6 GLY HA2 H 6 3.960 4.214 -0.254 1 1 38 . 1 1 1 A 6 6 GLY HA3 H 6 3.960 4.218 -0.258 1 1 39 . 1 1 1 A 6 6 GLY C C 6 174.050 171.177 2.873 1 1 40 . 1 1 1 A 6 6 GLY CA C 6 45.390 45.146 0.244 1 1 41 . 1 1 1 A 6 6 GLY N N 6 109.000 110.332 -1.332 1 1 42 . 1 1 1 A 7 7 THR H H 7 8.076 8.303 -0.227 1 1 43 . 1 1 1 A 7 7 THR HA H 7 4.591 4.936 -0.345 1 1 48 . 1 1 1 A 7 7 THR C C 7 172.840 172.566 0.274 1 1 49 . 1 1 1 A 7 7 THR CA C 7 60.050 58.623 1.427 1 1 50 . 1 1 1 A 7 7 THR N N 7 116.910 115.307 1.603 1 1 51 . 1 1 1 A 8 8 PRO HA H 8 4.414 4.611 -0.197 1 1 54 . 1 1 1 A 8 8 PRO C C 8 176.690 176.784 -0.094 1 1 55 . 1 1 1 A 8 8 PRO CA C 8 63.090 62.777 0.313 1 1 56 . 1 1 1 A 8 8 PRO CB C 8 32.290 32.460 -0.170 1 1 57 . 1 1 1 A 9 9 GLU H H 9 8.467 8.684 -0.217 1 1 58 . 1 1 1 A 9 9 GLU HA H 9 4.527 4.716 -0.189 1 1 63 . 1 1 1 A 9 9 GLU C C 9 174.680 174.900 -0.220 1 1 64 . 1 1 1 A 9 9 GLU CA C 9 54.550 54.053 0.497 1 1 65 . 1 1 1 A 9 9 GLU N N 9 122.910 122.405 0.505 1 1 66 . 1 1 1 A 10 10 PRO HA H 10 4.371 4.842 -0.471 1 1 71 . 1 1 1 A 10 10 PRO C C 10 176.820 176.066 0.754 1 1 72 . 1 1 1 A 10 10 PRO CA C 10 63.300 62.815 0.485 1 1 73 . 1 1 1 A 10 10 PRO CB C 10 32.290 32.254 0.036 1 1 74 . 1 1 1 A 11 11 GLN H H 11 8.543 8.496 0.047 1 1 75 . 1 1 1 A 11 11 GLN HA H 11 4.334 5.011 -0.677 1 1 82 . 1 1 1 A 11 11 GLN C C 11 176.010 174.562 1.448 1 1 83 . 1 1 1 A 11 11 GLN CA C 11 55.710 54.251 1.459 1 1 84 . 1 1 1 A 11 11 GLN CB C 11 29.520 32.255 -2.735 1 1 85 . 1 1 1 A 11 11 GLN N N 11 121.100 121.636 -0.536 1 1 87 . 1 1 1 A 12 12 VAL H H 12 8.201 8.730 -0.529 1 1 88 . 1 1 1 A 12 12 VAL HA H 12 4.144 4.931 -0.787 1 1 96 . 1 1 1 A 12 12 VAL C C 12 175.940 174.876 1.064 1 1 97 . 1 1 1 A 12 12 VAL CA C 12 62.110 61.301 0.809 1 1 98 . 1 1 1 A 12 12 VAL CB C 12 32.800 32.784 0.016 1 1 99 . 1 1 1 A 12 12 VAL N N 12 122.070 123.721 -1.651 1 1 100 . 1 1 1 A 13 13 GLU H H 13 8.593 8.537 0.056 1 1 101 . 1 1 1 A 13 13 GLU HA H 13 4.329 4.732 -0.403 1 1 106 . 1 1 1 A 13 13 GLU C C 13 176.720 174.603 2.117 1 1 107 . 1 1 1 A 13 13 GLU CA C 13 56.830 55.567 1.263 1 1 108 . 1 1 1 A 13 13 GLU CB C 13 30.860 34.094 -3.234 1 1 109 . 1 1 1 A 13 13 GLU N N 13 124.660 125.533 -0.873 1 1 138 . 1 1 1 A 17 17 VAL H H 17 8.458 8.491 -0.033 1 1 139 . 1 1 1 A 17 17 VAL HA H 17 4.183 4.277 -0.094 1 1 147 . 1 1 1 A 17 17 VAL C C 17 175.950 176.015 -0.065 1 1 148 . 1 1 1 A 17 17 VAL CA C 17 63.780 62.222 1.558 1 1 149 . 1 1 1 A 17 17 VAL CB C 17 32.460 32.167 0.293 1 1 150 . 1 1 1 A 17 17 VAL N N 17 124.860 125.419 -0.559 1 1 151 . 1 1 1 A 18 18 PHE H H 18 8.579 9.112 -0.533 1 1 152 . 1 1 1 A 18 18 PHE HA H 18 4.650 4.827 -0.177 1 1 160 . 1 1 1 A 18 18 PHE C C 18 173.450 175.621 -2.171 1 1 161 . 1 1 1 A 18 18 PHE CA C 18 57.480 58.034 -0.554 1 1 162 . 1 1 1 A 18 18 PHE CB C 18 41.950 40.303 1.647 1 1 163 . 1 1 1 A 18 18 PHE N N 18 127.160 127.153 0.007 1 1 164 . 1 1 1 A 19 19 ARG H H 19 7.920 8.899 -0.979 1 1 165 . 1 1 1 A 19 19 ARG HA H 19 4.196 4.808 -0.612 1 1 170 . 1 1 1 A 19 19 ARG C C 19 174.930 175.189 -0.259 1 1 171 . 1 1 1 A 19 19 ARG CA C 19 54.800 54.621 0.179 1 1 172 . 1 1 1 A 19 19 ARG CB C 19 30.610 31.147 -0.537 1 1 173 . 1 1 1 A 19 19 ARG N N 19 127.500 122.321 5.179 1 1 174 . 1 1 1 A 20 20 ALA H H 20 8.067 8.779 -0.712 1 1 175 . 1 1 1 A 20 20 ALA HA H 20 3.729 4.888 -1.159 1 1 179 . 1 1 1 A 20 20 ALA C C 20 177.630 176.989 0.641 1 1 180 . 1 1 1 A 20 20 ALA CA C 20 53.280 50.055 3.225 1 1 181 . 1 1 1 A 20 20 ALA CB C 20 18.860 22.872 -4.012 1 1 182 . 1 1 1 A 20 20 ALA N N 20 126.460 126.482 -0.022 1 1 183 . 1 1 1 A 21 21 ASP H H 21 8.355 8.785 -0.430 1 1 184 . 1 1 1 A 21 21 ASP HA H 21 4.350 4.703 -0.353 1 1 187 . 1 1 1 A 21 21 ASP C C 21 176.720 177.986 -1.266 1 1 188 . 1 1 1 A 21 21 ASP CA C 21 54.480 54.945 -0.465 1 1 189 . 1 1 1 A 21 21 ASP CB C 21 40.350 41.170 -0.820 1 1 190 . 1 1 1 A 21 21 ASP N N 21 117.850 121.952 -4.102 1 1 191 . 1 1 1 A 22 22 LEU H H 22 7.705 7.904 -0.199 1 1 192 . 1 1 1 A 22 22 LEU HA H 22 4.088 4.028 0.060 1 1 202 . 1 1 1 A 22 22 LEU C C 22 177.760 178.026 -0.266 1 1 203 . 1 1 1 A 22 22 LEU CA C 22 55.780 57.402 -1.622 1 1 204 . 1 1 1 A 22 22 LEU CB C 22 41.860 41.466 0.394 1 1 205 . 1 1 1 A 22 22 LEU N N 22 121.600 118.223 3.377 1 1 206 . 1 1 1 A 23 23 LEU H H 23 7.717 7.919 -0.202 1 1 207 . 1 1 1 A 23 23 LEU HA H 23 4.166 3.872 0.294 1 1 217 . 1 1 1 A 23 23 LEU C C 23 177.840 178.629 -0.789 1 1 218 . 1 1 1 A 23 23 LEU CA C 23 55.960 57.810 -1.850 1 1 219 . 1 1 1 A 23 23 LEU CB C 23 41.950 41.080 0.870 1 1 220 . 1 1 1 A 23 23 LEU N N 23 120.360 119.254 1.106 1 1 221 . 1 1 1 A 24 24 LYS H H 24 7.933 8.349 -0.416 1 1 222 . 1 1 1 A 24 24 LYS HA H 24 4.174 3.873 0.301 1 1 229 . 1 1 1 A 24 24 LYS C C 24 177.190 178.201 -1.011 1 1 230 . 1 1 1 A 24 24 LYS CA C 24 57.050 59.290 -2.240 1 1 231 . 1 1 1 A 24 24 LYS CB C 24 32.880 32.186 0.694 1 1 232 . 1 1 1 A 24 24 LYS N N 24 121.120 118.735 2.385 1 1 233 . 1 1 1 A 25 25 GLU H H 25 8.160 8.086 0.074 1 1 234 . 1 1 1 A 25 25 GLU HA H 25 4.199 4.061 0.138 1 1 239 . 1 1 1 A 25 25 GLU C C 25 176.900 178.633 -1.733 1 1 240 . 1 1 1 A 25 25 GLU CA C 25 57.010 59.436 -2.426 1 1 241 . 1 1 1 A 25 25 GLU CB C 25 30.280 29.093 1.187 1 1 242 . 1 1 1 A 25 25 GLU N N 25 121.550 118.985 2.565 1 1 243 . 1 1 1 A 26 26 MET H H 26 8.270 8.177 0.093 1 1 244 . 1 1 1 A 26 26 MET HA H 26 4.360 4.026 0.334 1 1 252 . 1 1 1 A 26 26 MET C C 26 176.440 177.994 -1.554 1 1 253 . 1 1 1 A 26 26 MET CA C 26 56.180 58.297 -2.117 1 1 254 . 1 1 1 A 26 26 MET CB C 26 33.050 31.763 1.287 1 1 255 . 1 1 1 A 26 26 MET N N 26 120.730 119.291 1.439 1 1 256 . 1 1 1 A 27 27 GLU H H 27 8.297 8.041 0.256 1 1 257 . 1 1 1 A 27 27 GLU HA H 27 4.264 4.297 -0.033 1 1 262 . 1 1 1 A 27 27 GLU C C 27 176.650 178.857 -2.207 1 1 263 . 1 1 1 A 27 27 GLU CA C 27 56.830 59.393 -2.563 1 1 264 . 1 1 1 A 27 27 GLU CB C 27 30.530 29.374 1.156 1 1 265 . 1 1 1 A 27 27 GLU N N 27 121.650 120.215 1.435 1 1 266 . 1 1 1 A 28 28 SER H H 28 8.279 8.037 0.242 1 1 267 . 1 1 1 A 28 28 SER HA H 28 4.473 4.245 0.228 1 1 270 . 1 1 1 A 28 28 SER C C 28 174.760 175.073 -0.313 1 1 271 . 1 1 1 A 28 28 SER CA C 28 58.460 61.186 -2.726 1 1 272 . 1 1 1 A 28 28 SER CB C 28 64.190 63.262 0.928 1 1 273 . 1 1 1 A 28 28 SER N N 28 116.610 117.190 -0.580 1 1 274 . 1 1 1 A 29 29 SER H H 29 8.443 7.528 0.915 1 1 275 . 1 1 1 A 29 29 SER HA H 29 4.541 4.456 0.085 1 1 278 . 1 1 1 A 29 29 SER C C 29 174.950 174.788 0.162 1 1 279 . 1 1 1 A 29 29 SER CA C 29 58.530 59.161 -0.631 1 1 280 . 1 1 1 A 29 29 SER CB C 29 64.190 63.838 0.352 1 1 281 . 1 1 1 A 29 29 SER N N 29 118.290 114.637 3.653 1 1 282 . 1 1 1 A 30 30 THR H H 30 8.220 7.378 0.842 1 1 283 . 1 1 1 A 30 30 THR HA H 30 4.372 3.958 0.414 1 1 288 . 1 1 1 A 30 30 THR C C 30 175.280 174.718 0.562 1 1 289 . 1 1 1 A 30 30 THR CA C 30 62.260 64.922 -2.662 1 1 290 . 1 1 1 A 30 30 THR CB C 30 69.900 68.525 1.375 1 1 291 . 1 1 1 A 30 30 THR N N 30 115.600 115.333 0.267 1 1 292 . 1 1 1 A 31 31 GLY H H 31 8.401 8.486 -0.085 1 1 293 . 1 1 1 A 31 31 GLY HA2 H 31 4.005 4.163 -0.158 1 1 294 . 1 1 1 A 31 31 GLY HA3 H 31 4.005 4.163 -0.158 1 1 295 . 1 1 1 A 31 31 GLY C C 31 174.160 172.514 1.646 1 1 296 . 1 1 1 A 31 31 GLY CA C 31 45.470 46.194 -0.724 1 1 297 . 1 1 1 A 31 31 GLY N N 31 111.270 112.952 -1.682 1 1 298 . 1 1 1 A 32 32 THR H H 32 8.034 8.244 -0.210 1 1 299 . 1 1 1 A 32 32 THR HA H 32 4.319 4.874 -0.555 1 1 304 . 1 1 1 A 32 32 THR C C 32 174.130 172.499 1.631 1 1 305 . 1 1 1 A 32 32 THR CA C 32 61.710 59.320 2.390 1 1 306 . 1 1 1 A 32 32 THR CB C 32 70.150 71.743 -1.593 1 1 307 . 1 1 1 A 32 32 THR N N 32 113.770 114.543 -0.773 1 1 308 . 1 1 1 A 33 33 ALA H H 33 8.410 8.735 -0.325 1 1 309 . 1 1 1 A 33 33 ALA HA H 33 4.581 4.758 -0.177 1 1 313 . 1 1 1 A 33 33 ALA C C 33 175.490 175.309 0.181 1 1 314 . 1 1 1 A 33 33 ALA CA C 33 50.680 48.670 2.010 1 1 315 . 1 1 1 A 33 33 ALA N N 33 128.320 129.610 -1.290 1 1 316 . 1 1 1 A 34 34 PRO HA H 34 4.389 4.620 -0.231 1 1 321 . 1 1 1 A 34 34 PRO C C 34 176.650 176.201 0.449 1 1 322 . 1 1 1 A 34 34 PRO CA C 34 63.090 62.589 0.501 1 1 323 . 1 1 1 A 34 34 PRO CB C 34 32.210 32.495 -0.285 1 1 324 . 1 1 1 A 35 35 ALA H H 35 8.433 8.385 0.048 1 1 325 . 1 1 1 A 35 35 ALA HA H 35 4.275 5.002 -0.727 1 1 329 . 1 1 1 A 35 35 ALA C C 35 177.730 175.491 2.239 1 1 330 . 1 1 1 A 35 35 ALA CA C 35 52.590 50.742 1.848 1 1 331 . 1 1 1 A 35 35 ALA CB C 35 19.450 22.210 -2.760 1 1 332 . 1 1 1 A 35 35 ALA N N 35 124.330 123.713 0.617 1 1 333 . 1 1 1 A 36 36 SER H H 36 8.259 8.306 -0.047 1 1 334 . 1 1 1 A 36 36 SER HA H 36 4.474 5.505 -1.031 1 1 337 . 1 1 1 A 36 36 SER C C 36 174.860 173.860 1.000 1 1 338 . 1 1 1 A 36 36 SER CA C 36 58.130 57.234 0.896 1 1 339 . 1 1 1 A 36 36 SER CB C 36 64.190 65.962 -1.772 1 1 340 . 1 1 1 A 36 36 SER N N 36 114.560 117.496 -2.936 1 1 341 . 1 1 1 A 37 37 THR H H 37 8.325 8.565 -0.240 1 1 342 . 1 1 1 A 37 37 THR HA H 37 4.281 4.959 -0.678 1 1 346 . 1 1 1 A 37 37 THR C C 37 175.110 174.160 0.950 1 1 347 . 1 1 1 A 37 37 THR CA C 37 62.260 59.626 2.634 1 1 348 . 1 1 1 A 37 37 THR CB C 37 70.150 71.623 -1.473 1 1 349 . 1 1 1 A 37 37 THR N N 37 115.300 113.940 1.360 1 1 350 . 1 1 1 A 38 38 GLY H H 38 8.511 8.606 -0.095 1 1 351 . 1 1 1 A 38 38 GLY HA2 H 38 3.975 4.030 -0.055 1 1 352 . 1 1 1 A 38 38 GLY HA3 H 38 3.809 4.039 -0.230 1 1 353 . 1 1 1 A 38 38 GLY C C 38 174.470 175.475 -1.005 1 1 354 . 1 1 1 A 38 38 GLY CA C 38 45.470 45.397 0.073 1 1 355 . 1 1 1 A 38 38 GLY N N 38 110.440 112.755 -2.315 1 1 356 . 1 1 1 A 39 39 ALA H H 39 8.245 8.170 0.075 1 1 357 . 1 1 1 A 39 39 ALA HA H 39 4.164 4.026 0.138 1 1 361 . 1 1 1 A 39 39 ALA C C 39 177.590 179.025 -1.435 1 1 362 . 1 1 1 A 39 39 ALA CA C 39 52.560 54.679 -2.119 1 1 363 . 1 1 1 A 39 39 ALA CB C 39 19.360 18.558 0.802 1 1 364 . 1 1 1 A 39 39 ALA N N 39 124.080 123.605 0.475 1 1 365 . 1 1 1 A 40 40 GLU H H 40 8.721 8.292 0.429 1 1 366 . 1 1 1 A 40 40 GLU HA H 40 4.083 4.178 -0.095 1 1 371 . 1 1 1 A 40 40 GLU C C 40 176.320 177.462 -1.142 1 1 372 . 1 1 1 A 40 40 GLU CA C 40 57.910 57.666 0.244 1 1 373 . 1 1 1 A 40 40 GLU CB C 40 29.520 29.125 0.395 1 1 374 . 1 1 1 A 40 40 GLU N N 40 118.270 115.878 2.392 1 1 375 . 1 1 1 A 41 41 ASN H H 41 8.226 7.851 0.375 1 1 376 . 1 1 1 A 41 41 ASN HA H 41 4.716 4.696 0.020 1 1 381 . 1 1 1 A 41 41 ASN C C 41 174.800 175.085 -0.285 1 1 382 . 1 1 1 A 41 41 ASN CA C 41 52.880 54.563 -1.683 1 1 383 . 1 1 1 A 41 41 ASN CB C 41 38.840 39.170 -0.330 1 1 384 . 1 1 1 A 41 41 ASN N N 41 117.620 117.362 0.258 1 1 386 . 1 1 1 A 42 42 LEU H H 42 7.629 7.910 -0.281 1 1 387 . 1 1 1 A 42 42 LEU HA H 42 4.418 4.026 0.392 1 1 397 . 1 1 1 A 42 42 LEU C C 42 174.610 176.842 -2.232 1 1 398 . 1 1 1 A 42 42 LEU CA C 42 53.170 55.337 -2.167 1 1 399 . 1 1 1 A 42 42 LEU N N 42 123.010 116.515 6.495 1 1 400 . 1 1 1 A 43 43 PRO HA H 43 4.366 4.359 0.007 1 1 407 . 1 1 1 A 43 43 PRO C C 43 177.050 177.328 -0.278 1 1 408 . 1 1 1 A 43 43 PRO CA C 43 62.260 66.075 -3.815 1 1 409 . 1 1 1 A 43 43 PRO CB C 43 32.380 31.268 1.112 1 1 410 . 1 1 1 A 44 44 ALA H H 44 8.552 7.716 0.836 1 1 411 . 1 1 1 A 44 44 ALA HA H 44 4.223 4.535 -0.312 1 1 415 . 1 1 1 A 44 44 ALA C C 44 179.500 177.898 1.602 1 1 416 . 1 1 1 A 44 44 ALA CA C 44 53.250 51.516 1.734 1 1 417 . 1 1 1 A 44 44 ALA CB C 44 18.190 19.726 -1.536 1 1 418 . 1 1 1 A 44 44 ALA N N 44 125.070 117.330 7.740 1 1 419 . 1 1 1 A 45 45 GLY H H 45 8.897 8.830 0.067 1 1 420 . 1 1 1 A 45 45 GLY HA2 H 45 4.214 3.936 0.278 1 1 421 . 1 1 1 A 45 45 GLY HA3 H 45 3.833 3.964 -0.131 1 1 422 . 1 1 1 A 45 45 GLY C C 45 173.720 173.518 0.202 1 1 423 . 1 1 1 A 45 45 GLY CA C 45 45.790 45.928 -0.138 1 1 424 . 1 1 1 A 45 45 GLY N N 45 110.600 109.960 0.640 1 1 425 . 1 1 1 A 46 46 SER H H 46 7.690 7.683 0.007 1 1 426 . 1 1 1 A 46 46 SER HA H 46 5.338 5.213 0.125 1 1 429 . 1 1 1 A 46 46 SER C C 46 172.990 172.196 0.794 1 1 430 . 1 1 1 A 46 46 SER CA C 46 57.810 57.572 0.238 1 1 431 . 1 1 1 A 46 46 SER CB C 46 66.960 66.275 0.685 1 1 432 . 1 1 1 A 46 46 SER N N 46 114.180 114.646 -0.466 1 1 433 . 1 1 1 A 47 47 ALA H H 47 8.435 8.821 -0.386 1 1 434 . 1 1 1 A 47 47 ALA HA H 47 4.338 4.846 -0.508 1 1 438 . 1 1 1 A 47 47 ALA C C 47 173.840 175.774 -1.934 1 1 439 . 1 1 1 A 47 47 ALA CA C 47 51.690 51.245 0.445 1 1 440 . 1 1 1 A 47 47 ALA CB C 47 24.570 22.943 1.627 1 1 441 . 1 1 1 A 47 47 ALA N N 47 120.900 124.250 -3.350 1 1 442 . 1 1 1 A 48 48 LEU H H 48 8.673 8.289 0.384 1 1 443 . 1 1 1 A 48 48 LEU HA H 48 5.021 5.228 -0.207 1 1 453 . 1 1 1 A 48 48 LEU C C 48 174.680 175.087 -0.407 1 1 454 . 1 1 1 A 48 48 LEU CA C 48 53.350 52.648 0.702 1 1 455 . 1 1 1 A 48 48 LEU CB C 48 48.150 46.242 1.908 1 1 456 . 1 1 1 A 48 48 LEU N N 48 120.170 115.902 4.268 1 1 457 . 1 1 1 A 49 49 LEU H H 49 8.686 9.108 -0.422 1 1 458 . 1 1 1 A 49 49 LEU HA H 49 5.403 5.535 -0.132 1 1 468 . 1 1 1 A 49 49 LEU C C 49 176.170 174.773 1.397 1 1 469 . 1 1 1 A 49 49 LEU CA C 49 52.810 53.151 -0.341 1 1 470 . 1 1 1 A 49 49 LEU CB C 49 46.310 45.245 1.065 1 1 471 . 1 1 1 A 49 49 LEU N N 49 120.170 116.552 3.618 1 1 472 . 1 1 1 A 50 50 VAL H H 50 8.874 9.407 -0.533 1 1 473 . 1 1 1 A 50 50 VAL HA H 50 4.971 5.076 -0.105 1 1 481 . 1 1 1 A 50 50 VAL C C 50 176.740 174.689 2.051 1 1 482 . 1 1 1 A 50 50 VAL CA C 50 59.940 59.996 -0.056 1 1 483 . 1 1 1 A 50 50 VAL CB C 50 34.970 34.213 0.757 1 1 484 . 1 1 1 A 50 50 VAL N N 50 120.580 121.862 -1.282 1 1 485 . 1 1 1 A 51 51 VAL H H 51 8.984 9.264 -0.280 1 1 486 . 1 1 1 A 51 51 VAL HA H 51 4.155 4.057 0.098 1 1 494 . 1 1 1 A 51 51 VAL C C 51 176.050 176.036 0.014 1 1 495 . 1 1 1 A 51 51 VAL CA C 51 64.280 63.122 1.158 1 1 496 . 1 1 1 A 51 51 VAL CB C 51 31.280 31.337 -0.057 1 1 497 . 1 1 1 A 51 51 VAL N N 51 125.710 128.125 -2.415 1 1 498 . 1 1 1 A 52 52 LYS H H 52 9.444 9.160 0.284 1 1 499 . 1 1 1 A 52 52 LYS HA H 52 4.450 4.335 0.115 1 1 506 . 1 1 1 A 52 52 LYS C C 52 176.150 175.819 0.331 1 1 507 . 1 1 1 A 52 52 LYS CA C 52 57.050 57.501 -0.451 1 1 508 . 1 1 1 A 52 52 LYS CB C 52 34.470 33.950 0.520 1 1 509 . 1 1 1 A 52 52 LYS N N 52 132.750 129.907 2.843 1 1 510 . 1 1 1 A 53 53 ARG H H 53 8.051 7.452 0.599 1 1 511 . 1 1 1 A 53 53 ARG HA H 53 4.685 4.803 -0.118 1 1 516 . 1 1 1 A 53 53 ARG C C 53 173.470 174.917 -1.447 1 1 517 . 1 1 1 A 53 53 ARG CA C 53 55.090 55.498 -0.408 1 1 518 . 1 1 1 A 53 53 ARG CB C 53 34.300 33.995 0.305 1 1 519 . 1 1 1 A 53 53 ARG N N 53 117.320 118.657 -1.337 1 1 520 . 1 1 1 A 54 54 GLY H H 54 8.377 8.387 -0.010 1 1 521 . 1 1 1 A 54 54 GLY HA2 H 54 4.215 3.883 0.332 1 1 522 . 1 1 1 A 54 54 GLY HA3 H 54 3.503 3.956 -0.453 1 1 523 . 1 1 1 A 54 54 GLY C C 54 171.870 174.155 -2.285 1 1 524 . 1 1 1 A 54 54 GLY CA C 54 43.770 44.374 -0.604 1 1 525 . 1 1 1 A 54 54 GLY N N 54 110.960 111.705 -0.745 1 1 526 . 1 1 1 A 55 55 PRO HA H 55 4.255 4.266 -0.011 1 1 531 . 1 1 1 A 55 55 PRO C C 55 175.940 177.572 -1.632 1 1 532 . 1 1 1 A 55 55 PRO CA C 55 64.390 64.967 -0.577 1 1 533 . 1 1 1 A 55 55 PRO CB C 55 31.360 31.816 -0.456 1 1 534 . 1 1 1 A 56 56 ASN H H 56 8.202 8.316 -0.114 1 1 535 . 1 1 1 A 56 56 ASN HA H 56 4.685 4.780 -0.095 1 1 540 . 1 1 1 A 56 56 ASN C C 56 174.410 175.418 -1.008 1 1 541 . 1 1 1 A 56 56 ASN CA C 56 52.120 52.481 -0.361 1 1 542 . 1 1 1 A 56 56 ASN CB C 56 37.070 37.681 -0.611 1 1 543 . 1 1 1 A 56 56 ASN N N 56 114.760 113.383 1.377 1 1 545 . 1 1 1 A 57 57 ALA H H 57 7.283 7.530 -0.247 1 1 546 . 1 1 1 A 57 57 ALA HA H 57 3.618 4.105 -0.487 1 1 550 . 1 1 1 A 57 57 ALA C C 57 178.090 178.324 -0.234 1 1 551 . 1 1 1 A 57 57 ALA CA C 57 54.480 53.846 0.634 1 1 552 . 1 1 1 A 57 57 ALA CB C 57 17.760 18.531 -0.771 1 1 553 . 1 1 1 A 57 57 ALA N N 57 120.380 124.088 -3.708 1 1 554 . 1 1 1 A 58 58 GLY H H 58 9.052 9.222 -0.170 1 1 555 . 1 1 1 A 58 58 GLY HA2 H 58 4.449 4.002 0.447 1 1 556 . 1 1 1 A 58 58 GLY HA3 H 58 3.415 4.005 -0.590 1 1 557 . 1 1 1 A 58 58 GLY C C 58 174.610 174.479 0.131 1 1 558 . 1 1 1 A 58 58 GLY CA C 58 44.530 45.023 -0.493 1 1 559 . 1 1 1 A 58 58 GLY N N 58 112.180 110.616 1.564 1 1 560 . 1 1 1 A 59 59 ALA H H 59 8.171 7.569 0.602 1 1 561 . 1 1 1 A 59 59 ALA HA H 59 4.081 4.420 -0.339 1 1 565 . 1 1 1 A 59 59 ALA C C 59 175.220 176.680 -1.460 1 1 566 . 1 1 1 A 59 59 ALA CA C 59 53.170 51.585 1.585 1 1 567 . 1 1 1 A 59 59 ALA CB C 59 19.360 19.979 -0.619 1 1 568 . 1 1 1 A 59 59 ALA N N 59 124.650 123.710 0.940 1 1 569 . 1 1 1 A 60 60 ARG H H 60 7.751 8.795 -1.044 1 1 570 . 1 1 1 A 60 60 ARG HA H 60 5.105 5.173 -0.068 1 1 575 . 1 1 1 A 60 60 ARG C C 60 175.320 174.709 0.611 1 1 576 . 1 1 1 A 60 60 ARG CA C 60 54.150 54.373 -0.223 1 1 577 . 1 1 1 A 60 60 ARG CB C 60 34.130 33.511 0.619 1 1 578 . 1 1 1 A 60 60 ARG N N 60 116.920 118.717 -1.797 1 1 579 . 1 1 1 A 61 61 PHE H H 61 9.213 9.349 -0.136 1 1 580 . 1 1 1 A 61 61 PHE HA H 61 4.788 5.131 -0.343 1 1 587 . 1 1 1 A 61 61 PHE C C 61 173.930 174.716 -0.786 1 1 588 . 1 1 1 A 61 61 PHE CA C 61 56.500 56.182 0.318 1 1 589 . 1 1 1 A 61 61 PHE CB C 61 41.860 42.149 -0.289 1 1 590 . 1 1 1 A 61 61 PHE N N 61 121.090 120.819 0.271 1 1 591 . 1 1 1 A 62 62 LEU H H 62 8.638 9.168 -0.530 1 1 592 . 1 1 1 A 62 62 LEU HA H 62 4.566 5.109 -0.543 1 1 602 . 1 1 1 A 62 62 LEU C C 62 176.570 175.448 1.122 1 1 603 . 1 1 1 A 62 62 LEU CA C 62 55.130 52.997 2.133 1 1 604 . 1 1 1 A 62 62 LEU CB C 62 43.620 44.425 -0.805 1 1 605 . 1 1 1 A 62 62 LEU N N 62 125.630 119.869 5.761 1 1 606 . 1 1 1 A 63 63 LEU H H 63 8.929 9.450 -0.521 1 1 607 . 1 1 1 A 63 63 LEU HA H 63 4.852 4.706 0.146 1 1 617 . 1 1 1 A 63 63 LEU C C 63 175.070 176.496 -1.426 1 1 618 . 1 1 1 A 63 63 LEU CA C 63 53.170 54.609 -1.439 1 1 619 . 1 1 1 A 63 63 LEU CB C 63 42.110 41.710 0.400 1 1 620 . 1 1 1 A 63 63 LEU N N 63 125.980 124.454 1.526 1 1 621 . 1 1 1 A 64 64 ASP H H 64 8.601 9.096 -0.495 1 1 622 . 1 1 1 A 64 64 ASP HA H 64 4.736 4.919 -0.183 1 1 625 . 1 1 1 A 64 64 ASP C C 64 175.130 175.765 -0.635 1 1 626 . 1 1 1 A 64 64 ASP CA C 64 53.640 53.628 0.012 1 1 627 . 1 1 1 A 64 64 ASP CB C 64 41.020 41.952 -0.932 1 1 628 . 1 1 1 A 64 64 ASP N N 64 120.910 125.798 -4.888 1 1 629 . 1 1 1 A 65 65 GLN H H 65 7.497 7.557 -0.060 1 1 630 . 1 1 1 A 65 65 GLN HA H 65 4.856 4.726 0.130 1 1 637 . 1 1 1 A 65 65 GLN C C 65 173.550 175.475 -1.925 1 1 638 . 1 1 1 A 65 65 GLN CA C 65 52.780 53.544 -0.764 1 1 639 . 1 1 1 A 65 65 GLN N N 65 117.420 116.843 0.577 1 1 641 . 1 1 1 A 66 66 PRO HA H 66 4.190 4.414 -0.224 1 1 648 . 1 1 1 A 66 66 PRO C C 66 177.400 176.587 0.813 1 1 649 . 1 1 1 A 66 66 PRO CA C 66 66.810 64.305 2.505 1 1 650 . 1 1 1 A 66 66 PRO CB C 66 32.370 32.016 0.354 1 1 651 . 1 1 1 A 67 67 THR H H 67 7.647 7.507 0.140 1 1 652 . 1 1 1 A 67 67 THR HA H 67 4.811 5.042 -0.231 1 1 657 . 1 1 1 A 67 67 THR C C 67 173.280 173.301 -0.021 1 1 658 . 1 1 1 A 67 67 THR CA C 67 62.830 61.210 1.620 1 1 659 . 1 1 1 A 67 67 THR CB C 67 71.740 71.661 0.079 1 1 660 . 1 1 1 A 67 67 THR N N 67 109.270 112.661 -3.391 1 1 661 . 1 1 1 A 68 68 THR H H 68 8.919 9.537 -0.618 1 1 662 . 1 1 1 A 68 68 THR HA H 68 4.968 5.160 -0.192 1 1 667 . 1 1 1 A 68 68 THR C C 68 175.090 173.720 1.370 1 1 668 . 1 1 1 A 68 68 THR CA C 68 61.820 62.067 -0.247 1 1 669 . 1 1 1 A 68 68 THR CB C 68 70.730 70.597 0.133 1 1 670 . 1 1 1 A 68 68 THR N N 68 125.610 123.802 1.808 1 1 671 . 1 1 1 A 69 69 THR H H 69 10.398 8.926 1.472 1 1 672 . 1 1 1 A 69 69 THR HA H 69 4.491 4.866 -0.375 1 1 677 . 1 1 1 A 69 69 THR C C 69 173.140 173.984 -0.844 1 1 678 . 1 1 1 A 69 69 THR CA C 69 61.790 61.640 0.150 1 1 679 . 1 1 1 A 69 69 THR CB C 69 70.820 70.041 0.779 1 1 680 . 1 1 1 A 69 69 THR N N 69 121.520 123.437 -1.917 1 1 681 . 1 1 1 A 70 70 ALA H H 70 8.722 8.961 -0.239 1 1 682 . 1 1 1 A 70 70 ALA HA H 70 5.696 5.618 0.078 1 1 686 . 1 1 1 A 70 70 ALA C C 70 175.840 175.690 0.150 1 1 687 . 1 1 1 A 70 70 ALA CA C 70 50.030 50.590 -0.560 1 1 688 . 1 1 1 A 70 70 ALA CB C 70 22.300 22.656 -0.356 1 1 689 . 1 1 1 A 70 70 ALA N N 70 122.410 127.700 -5.290 1 1 690 . 1 1 1 A 71 71 GLY H H 71 8.430 8.016 0.414 1 1 691 . 1 1 1 A 71 71 GLY HA2 H 71 4.474 4.157 0.317 1 1 692 . 1 1 1 A 71 71 GLY HA3 H 71 3.903 4.184 -0.281 1 1 693 . 1 1 1 A 71 71 GLY C C 71 170.540 172.037 -1.497 1 1 694 . 1 1 1 A 71 71 GLY CA C 71 46.300 44.277 2.023 1 1 695 . 1 1 1 A 71 71 GLY N N 71 108.960 108.100 0.860 1 1 696 . 1 1 1 A 72 72 ARG H H 72 8.341 9.026 -0.685 1 1 697 . 1 1 1 A 72 72 ARG HA H 72 4.481 5.081 -0.600 1 1 702 . 1 1 1 A 72 72 ARG C C 72 175.720 175.312 0.408 1 1 703 . 1 1 1 A 72 72 ARG CA C 72 54.800 55.701 -0.901 1 1 704 . 1 1 1 A 72 72 ARG CB C 72 32.540 31.406 1.134 1 1 705 . 1 1 1 A 72 72 ARG N N 72 120.930 121.369 -0.439 1 1 706 . 1 1 1 A 73 73 HIS H H 73 9.295 8.454 0.841 1 1 707 . 1 1 1 A 73 73 HIS HA H 73 4.403 5.015 -0.612 1 1 712 . 1 1 1 A 73 73 HIS C C 73 176.860 174.260 2.600 1 1 713 . 1 1 1 A 73 73 HIS CA C 73 57.050 54.927 2.123 1 1 714 . 1 1 1 A 73 73 HIS N N 73 125.290 124.694 0.596 1 1 715 . 1 1 1 A 74 74 PRO HA H 74 4.373 4.296 0.077 1 1 722 . 1 1 1 A 74 74 PRO C C 74 177.590 177.193 0.397 1 1 723 . 1 1 1 A 74 74 PRO CA C 74 64.930 65.099 -0.169 1 1 724 . 1 1 1 A 74 74 PRO CB C 74 32.030 31.711 0.319 1 1 725 . 1 1 1 A 75 75 GLU H H 75 10.575 7.540 3.035 1 1 726 . 1 1 1 A 75 75 GLU HA H 75 4.352 4.491 -0.139 1 1 731 . 1 1 1 A 75 75 GLU C C 75 177.320 175.924 1.396 1 1 732 . 1 1 1 A 75 75 GLU CA C 75 56.070 56.097 -0.027 1 1 733 . 1 1 1 A 75 75 GLU CB C 75 29.010 29.740 -0.730 1 1 734 . 1 1 1 A 75 75 GLU N N 75 119.840 116.744 3.096 1 1 735 . 1 1 1 A 76 76 SER H H 76 8.236 7.573 0.663 1 1 736 . 1 1 1 A 76 76 SER HA H 76 4.100 4.573 -0.473 1 1 739 . 1 1 1 A 76 76 SER C C 76 173.120 174.282 -1.162 1 1 740 . 1 1 1 A 76 76 SER CA C 76 60.160 57.861 2.299 1 1 741 . 1 1 1 A 76 76 SER CB C 76 65.530 63.698 1.832 1 1 742 . 1 1 1 A 76 76 SER N N 76 118.860 115.465 3.395 1 1 743 . 1 1 1 A 77 77 ASP H H 77 8.541 8.737 -0.196 1 1 744 . 1 1 1 A 77 77 ASP HA H 77 4.344 4.518 -0.174 1 1 747 . 1 1 1 A 77 77 ASP C C 77 177.590 175.814 1.776 1 1 748 . 1 1 1 A 77 77 ASP CA C 77 58.380 56.128 2.252 1 1 749 . 1 1 1 A 77 77 ASP CB C 77 42.110 41.358 0.752 1 1 750 . 1 1 1 A 77 77 ASP N N 77 126.720 124.704 2.016 1 1 751 . 1 1 1 A 78 78 ILE H H 78 8.571 8.072 0.499 1 1 752 . 1 1 1 A 78 78 ILE HA H 78 3.563 4.051 -0.488 1 1 762 . 1 1 1 A 78 78 ILE C C 78 172.930 174.356 -1.426 1 1 763 . 1 1 1 A 78 78 ILE CA C 78 60.880 60.389 0.491 1 1 764 . 1 1 1 A 78 78 ILE CB C 78 37.410 38.048 -0.638 1 1 765 . 1 1 1 A 78 78 ILE N N 78 120.210 118.814 1.396 1 1 766 . 1 1 1 A 79 79 PHE H H 79 8.018 9.011 -0.993 1 1 767 . 1 1 1 A 79 79 PHE HA H 79 5.018 4.918 0.100 1 1 775 . 1 1 1 A 79 79 PHE C C 79 174.130 173.931 0.199 1 1 776 . 1 1 1 A 79 79 PHE CA C 79 55.780 56.424 -0.644 1 1 777 . 1 1 1 A 79 79 PHE CB C 79 39.170 40.265 -1.095 1 1 778 . 1 1 1 A 79 79 PHE N N 79 127.300 129.326 -2.026 1 1 779 . 1 1 1 A 80 80 LEU H H 80 7.695 8.619 -0.924 1 1 780 . 1 1 1 A 80 80 LEU HA H 80 3.619 4.783 -1.164 1 1 790 . 1 1 1 A 80 80 LEU C C 80 173.720 174.803 -1.083 1 1 791 . 1 1 1 A 80 80 LEU CA C 80 52.340 53.348 -1.008 1 1 792 . 1 1 1 A 80 80 LEU CB C 80 41.770 45.799 -4.029 1 1 793 . 1 1 1 A 80 80 LEU N N 80 131.810 128.319 3.491 1 1 794 . 1 1 1 A 81 81 ASP H H 81 7.974 8.401 -0.427 1 1 795 . 1 1 1 A 81 81 ASP HA H 81 4.141 4.692 -0.551 1 1 798 . 1 1 1 A 81 81 ASP C C 81 175.130 175.489 -0.359 1 1 799 . 1 1 1 A 81 81 ASP CA C 81 53.210 53.761 -0.551 1 1 800 . 1 1 1 A 81 81 ASP CB C 81 39.930 41.470 -1.540 1 1 801 . 1 1 1 A 81 81 ASP N N 81 121.130 123.405 -2.275 1 1 802 . 1 1 1 A 82 82 ASP H H 82 7.583 8.762 -1.179 1 1 803 . 1 1 1 A 82 82 ASP HA H 82 4.859 4.909 -0.050 1 1 806 . 1 1 1 A 82 82 ASP C C 82 176.760 176.602 0.158 1 1 807 . 1 1 1 A 82 82 ASP CA C 82 54.980 52.907 2.073 1 1 808 . 1 1 1 A 82 82 ASP CB C 82 39.170 42.644 -3.474 1 1 809 . 1 1 1 A 82 82 ASP N N 82 121.540 125.282 -3.742 1 1 810 . 1 1 1 A 83 83 VAL H H 83 8.344 8.633 -0.289 1 1 811 . 1 1 1 A 83 83 VAL HA H 83 4.012 4.123 -0.111 1 1 819 . 1 1 1 A 83 83 VAL C C 83 174.860 175.846 -0.986 1 1 820 . 1 1 1 A 83 83 VAL CA C 83 65.330 64.413 0.917 1 1 821 . 1 1 1 A 83 83 VAL CB C 83 31.530 32.639 -1.109 1 1 822 . 1 1 1 A 83 83 VAL N N 83 122.260 120.761 1.499 1 1 823 . 1 1 1 A 84 84 THR H H 84 8.268 8.566 -0.298 1 1 824 . 1 1 1 A 84 84 THR HA H 84 4.540 4.766 -0.226 1 1 828 . 1 1 1 A 84 84 THR C C 84 175.360 172.687 2.673 1 1 829 . 1 1 1 A 84 84 THR CA C 84 63.810 59.526 4.284 1 1 830 . 1 1 1 A 84 84 THR CB C 84 70.900 70.897 0.003 1 1 831 . 1 1 1 A 84 84 THR N N 84 110.620 114.508 -3.888 1 1 832 . 1 1 1 A 85 85 VAL H H 85 8.579 8.566 0.013 1 1 833 . 1 1 1 A 85 85 VAL HA H 85 4.254 4.586 -0.332 1 1 841 . 1 1 1 A 85 85 VAL C C 85 177.070 174.901 2.169 1 1 842 . 1 1 1 A 85 85 VAL CA C 85 61.930 61.269 0.661 1 1 843 . 1 1 1 A 85 85 VAL CB C 85 32.450 32.078 0.372 1 1 844 . 1 1 1 A 85 85 VAL N N 85 126.860 123.116 3.744 1 1 845 . 1 1 1 A 86 86 SER H H 86 11.668 8.781 2.887 1 1 846 . 1 1 1 A 86 86 SER HA H 86 5.203 4.892 0.311 1 1 849 . 1 1 1 A 86 86 SER C C 86 175.470 175.375 0.095 1 1 850 . 1 1 1 A 86 86 SER CA C 86 61.600 57.425 4.175 1 1 851 . 1 1 1 A 86 86 SER CB C 86 64.270 62.978 1.292 1 1 852 . 1 1 1 A 86 86 SER N N 86 128.670 122.112 6.558 1 1 853 . 1 1 1 A 87 87 ARG H H 87 10.946 8.614 2.332 1 1 854 . 1 1 1 A 87 87 ARG HA H 87 5.179 4.623 0.556 1 1 862 . 1 1 1 A 87 87 ARG C C 87 177.110 176.426 0.684 1 1 863 . 1 1 1 A 87 87 ARG CA C 87 60.810 58.802 2.008 1 1 864 . 1 1 1 A 87 87 ARG CB C 87 29.010 29.979 -0.969 1 1 865 . 1 1 1 A 87 87 ARG N N 87 126.810 122.759 4.051 1 1 867 . 1 1 1 A 88 88 ARG H H 88 7.946 7.905 0.041 1 1 868 . 1 1 1 A 88 88 ARG HA H 88 4.459 4.606 -0.147 1 1 876 . 1 1 1 A 88 88 ARG C C 88 172.990 175.535 -2.545 1 1 877 . 1 1 1 A 88 88 ARG CA C 88 55.060 54.716 0.344 1 1 878 . 1 1 1 A 88 88 ARG CB C 88 29.770 31.222 -1.452 1 1 879 . 1 1 1 A 88 88 ARG N N 88 115.670 119.076 -3.406 1 1 881 . 1 1 1 A 89 89 HIS H H 89 7.613 8.349 -0.736 1 1 882 . 1 1 1 A 89 89 HIS HA H 89 4.437 4.551 -0.114 1 1 888 . 1 1 1 A 89 89 HIS C C 89 174.050 174.960 -0.910 1 1 889 . 1 1 1 A 89 89 HIS CA C 89 58.420 58.014 0.406 1 1 890 . 1 1 1 A 89 89 HIS CB C 89 32.620 31.794 0.826 1 1 891 . 1 1 1 A 89 89 HIS N N 89 124.000 124.870 -0.870 1 1 893 . 1 1 1 A 90 90 ALA H H 90 8.454 7.147 1.307 1 1 894 . 1 1 1 A 90 90 ALA HA H 90 5.529 4.499 1.030 1 1 898 . 1 1 1 A 90 90 ALA C C 90 176.260 174.893 1.367 1 1 899 . 1 1 1 A 90 90 ALA CA C 90 50.240 51.246 -1.006 1 1 900 . 1 1 1 A 90 90 ALA CB C 90 23.220 22.355 0.865 1 1 901 . 1 1 1 A 90 90 ALA N N 90 116.480 118.037 -1.557 1 1 902 . 1 1 1 A 91 91 GLU H H 91 9.216 8.752 0.464 1 1 903 . 1 1 1 A 91 91 GLU HA H 91 4.931 4.793 0.138 1 1 908 . 1 1 1 A 91 91 GLU C C 91 173.910 173.928 -0.018 1 1 909 . 1 1 1 A 91 91 GLU CA C 91 54.690 54.330 0.360 1 1 910 . 1 1 1 A 91 91 GLU CB C 91 34.720 33.363 1.357 1 1 911 . 1 1 1 A 91 91 GLU N N 91 118.140 117.192 0.948 1 1 912 . 1 1 1 A 92 92 PHE H H 92 9.330 9.418 -0.088 1 1 913 . 1 1 1 A 92 92 PHE HA H 92 5.502 5.370 0.132 1 1 921 . 1 1 1 A 92 92 PHE C C 92 176.650 174.783 1.867 1 1 922 . 1 1 1 A 92 92 PHE CA C 92 56.760 56.760 0.000 1 1 923 . 1 1 1 A 92 92 PHE CB C 92 41.690 40.663 1.027 1 1 924 . 1 1 1 A 92 92 PHE N N 92 119.490 121.334 -1.844 1 1 925 . 1 1 1 A 93 93 ARG H H 93 9.846 9.311 0.535 1 1 926 . 1 1 1 A 93 93 ARG HA H 93 5.610 4.996 0.614 1 1 934 . 1 1 1 A 93 93 ARG C C 93 175.010 174.980 0.030 1 1 935 . 1 1 1 A 93 93 ARG CA C 93 54.580 55.002 -0.422 1 1 936 . 1 1 1 A 93 93 ARG CB C 93 34.220 32.742 1.478 1 1 937 . 1 1 1 A 93 93 ARG N N 93 127.300 123.586 3.714 1 1 939 . 1 1 1 A 94 94 ILE H H 94 8.521 9.355 -0.834 1 1 940 . 1 1 1 A 94 94 ILE HA H 94 4.410 4.768 -0.358 1 1 950 . 1 1 1 A 94 94 ILE C C 94 176.420 174.155 2.265 1 1 951 . 1 1 1 A 94 94 ILE CA C 94 61.130 59.864 1.266 1 1 952 . 1 1 1 A 94 94 ILE CB C 94 38.830 38.542 0.288 1 1 953 . 1 1 1 A 94 94 ILE N N 94 121.680 125.026 -3.346 1 1 954 . 1 1 1 A 95 95 ASN H H 95 8.847 9.172 -0.325 1 1 955 . 1 1 1 A 95 95 ASN HA H 95 4.796 5.111 -0.315 1 1 960 . 1 1 1 A 95 95 ASN C C 95 174.430 174.441 -0.011 1 1 961 . 1 1 1 A 95 95 ASN CA C 95 52.560 52.091 0.469 1 1 962 . 1 1 1 A 95 95 ASN CB C 95 40.510 40.666 -0.156 1 1 963 . 1 1 1 A 95 95 ASN N N 95 127.100 125.715 1.385 1 1 965 . 1 1 1 A 96 96 GLU H H 96 9.303 9.459 -0.156 1 1 966 . 1 1 1 A 96 96 GLU HA H 96 3.768 4.011 -0.243 1 1 971 . 1 1 1 A 96 96 GLU C C 96 176.280 176.436 -0.156 1 1 972 . 1 1 1 A 96 96 GLU CA C 96 57.150 57.576 -0.426 1 1 973 . 1 1 1 A 96 96 GLU CB C 96 27.590 27.952 -0.362 1 1 974 . 1 1 1 A 96 96 GLU N N 96 125.150 127.257 -2.107 1 1 975 . 1 1 1 A 97 97 GLY H H 97 7.937 8.391 -0.454 1 1 976 . 1 1 1 A 97 97 GLY HA2 H 97 4.042 3.682 0.360 1 1 977 . 1 1 1 A 97 97 GLY HA3 H 97 3.450 3.791 -0.341 1 1 978 . 1 1 1 A 97 97 GLY C C 97 172.990 173.574 -0.584 1 1 979 . 1 1 1 A 97 97 GLY CA C 97 45.390 45.221 0.169 1 1 980 . 1 1 1 A 97 97 GLY N N 97 104.330 104.777 -0.447 1 1 981 . 1 1 1 A 98 98 GLU H H 98 7.557 7.870 -0.313 1 1 982 . 1 1 1 A 98 98 GLU HA H 98 4.591 4.767 -0.176 1 1 987 . 1 1 1 A 98 98 GLU C C 98 174.530 175.642 -1.112 1 1 988 . 1 1 1 A 98 98 GLU CA C 98 54.770 55.069 -0.299 1 1 989 . 1 1 1 A 98 98 GLU CB C 98 32.290 31.636 0.654 1 1 990 . 1 1 1 A 98 98 GLU N N 98 119.350 119.945 -0.595 1 1 991 . 1 1 1 A 99 99 PHE H H 99 9.412 9.155 0.257 1 1 992 . 1 1 1 A 99 99 PHE HA H 99 5.007 5.249 -0.242 1 1 999 . 1 1 1 A 99 99 PHE C C 99 174.050 175.145 -1.095 1 1 1000 . 1 1 1 A 99 99 PHE CA C 99 57.260 56.828 0.432 1 1 1001 . 1 1 1 A 99 99 PHE CB C 99 42.110 41.253 0.857 1 1 1002 . 1 1 1 A 99 99 PHE N N 99 122.550 121.354 1.196 1 1 1003 . 1 1 1 A 100 100 GLU H H 100 9.444 9.508 -0.064 1 1 1004 . 1 1 1 A 100 100 GLU HA H 100 5.145 5.346 -0.201 1 1 1009 . 1 1 1 A 100 100 GLU C C 100 175.340 174.951 0.389 1 1 1010 . 1 1 1 A 100 100 GLU CA C 100 54.080 54.721 -0.641 1 1 1011 . 1 1 1 A 100 100 GLU CB C 100 34.720 33.026 1.694 1 1 1012 . 1 1 1 A 100 100 GLU N N 100 124.080 120.593 3.487 1 1 1013 . 1 1 1 A 101 101 VAL H H 101 8.726 9.211 -0.485 1 1 1014 . 1 1 1 A 101 101 VAL HA H 101 4.900 4.669 0.231 1 1 1022 . 1 1 1 A 101 101 VAL C C 101 172.510 175.124 -2.614 1 1 1023 . 1 1 1 A 101 101 VAL CA C 101 58.710 61.621 -2.911 1 1 1024 . 1 1 1 A 101 101 VAL CB C 101 33.550 33.073 0.477 1 1 1025 . 1 1 1 A 101 101 VAL N N 101 124.500 124.134 0.366 1 1 1026 . 1 1 1 A 102 102 VAL H H 102 8.719 9.300 -0.581 1 1 1027 . 1 1 1 A 102 102 VAL HA H 102 4.578 4.536 0.042 1 1 1035 . 1 1 1 A 102 102 VAL C C 102 175.380 173.722 1.658 1 1 1036 . 1 1 1 A 102 102 VAL CA C 102 60.370 60.853 -0.483 1 1 1037 . 1 1 1 A 102 102 VAL CB C 102 36.060 33.848 2.212 1 1 1038 . 1 1 1 A 102 102 VAL N N 102 125.900 128.023 -2.123 1 1 1039 . 1 1 1 A 103 103 ASP H H 103 8.626 9.267 -0.641 1 1 1040 . 1 1 1 A 103 103 ASP HA H 103 4.856 4.587 0.269 1 1 1043 . 1 1 1 A 103 103 ASP C C 103 177.300 176.847 0.453 1 1 1044 . 1 1 1 A 103 103 ASP CA C 103 54.580 53.376 1.204 1 1 1045 . 1 1 1 A 103 103 ASP CB C 103 44.210 41.304 2.906 1 1 1046 . 1 1 1 A 103 103 ASP N N 103 127.250 127.727 -0.477 1 1 1047 . 1 1 1 A 104 104 VAL H H 104 7.890 8.441 -0.551 1 1 1048 . 1 1 1 A 104 104 VAL HA H 104 4.527 4.503 0.024 1 1 1056 . 1 1 1 A 104 104 VAL C C 104 174.490 176.317 -1.827 1 1 1057 . 1 1 1 A 104 104 VAL CA C 104 60.630 61.195 -0.565 1 1 1058 . 1 1 1 A 104 104 VAL CB C 104 29.350 32.254 -2.904 1 1 1059 . 1 1 1 A 104 104 VAL N N 104 119.270 119.892 -0.622 1 1 1060 . 1 1 1 A 105 105 GLY H H 105 8.690 7.680 1.010 1 1 1061 . 1 1 1 A 105 105 GLY HA2 H 105 4.270 4.041 0.229 1 1 1062 . 1 1 1 A 105 105 GLY HA3 H 105 3.685 4.153 -0.468 1 1 1063 . 1 1 1 A 105 105 GLY C C 105 175.490 175.687 -0.197 1 1 1064 . 1 1 1 A 105 105 GLY CA C 105 45.650 46.667 -1.017 1 1 1065 . 1 1 1 A 105 105 GLY N N 105 111.790 112.469 -0.679 1 1 1066 . 1 1 1 A 106 106 SER H H 106 9.218 8.713 0.505 1 1 1067 . 1 1 1 A 106 106 SER HA H 106 3.894 4.107 -0.213 1 1 1070 . 1 1 1 A 106 106 SER C C 106 174.590 175.259 -0.669 1 1 1071 . 1 1 1 A 106 106 SER CA C 106 58.600 59.467 -0.867 1 1 1072 . 1 1 1 A 106 106 SER CB C 106 61.250 63.031 -1.781 1 1 1073 . 1 1 1 A 106 106 SER N N 106 121.540 114.765 6.775 1 1 1074 . 1 1 1 A 107 107 LEU H H 107 8.018 8.149 -0.131 1 1 1075 . 1 1 1 A 107 107 LEU HA H 107 4.240 4.054 0.186 1 1 1085 . 1 1 1 A 107 107 LEU C C 107 179.420 178.732 0.688 1 1 1086 . 1 1 1 A 107 107 LEU CA C 107 57.590 58.181 -0.591 1 1 1087 . 1 1 1 A 107 107 LEU CB C 107 42.360 41.401 0.959 1 1 1088 . 1 1 1 A 107 107 LEU N N 107 121.520 119.988 1.532 1 1 1089 . 1 1 1 A 108 108 ASN H H 108 8.799 7.720 1.079 1 1 1090 . 1 1 1 A 108 108 ASN HA H 108 4.986 4.876 0.110 1 1 1093 . 1 1 1 A 108 108 ASN C C 108 175.950 175.572 0.378 1 1 1094 . 1 1 1 A 108 108 ASN CA C 108 54.440 53.176 1.264 1 1 1095 . 1 1 1 A 108 108 ASN CB C 108 41.180 39.039 2.141 1 1 1096 . 1 1 1 A 108 108 ASN N N 108 111.800 116.752 -4.952 1 1 1097 . 1 1 1 A 109 109 GLY H H 109 8.025 7.957 0.068 1 1 1098 . 1 1 1 A 109 109 GLY HA2 H 109 4.237 3.735 0.502 1 1 1099 . 1 1 1 A 109 109 GLY HA3 H 109 3.621 3.813 -0.192 1 1 1100 . 1 1 1 A 109 109 GLY C C 109 173.820 174.215 -0.395 1 1 1101 . 1 1 1 A 109 109 GLY CA C 109 44.340 45.722 -1.382 1 1 1102 . 1 1 1 A 109 109 GLY N N 109 110.600 107.256 3.344 1 1 1103 . 1 1 1 A 110 110 THR H H 110 8.770 8.292 0.478 1 1 1104 . 1 1 1 A 110 110 THR HA H 110 4.797 4.227 0.570 1 1 1109 . 1 1 1 A 110 110 THR C C 110 172.570 173.673 -1.103 1 1 1110 . 1 1 1 A 110 110 THR CA C 110 64.540 63.250 1.290 1 1 1111 . 1 1 1 A 110 110 THR CB C 110 70.230 68.901 1.329 1 1 1112 . 1 1 1 A 110 110 THR N N 110 121.240 116.456 4.784 1 1 1113 . 1 1 1 A 111 111 TYR H H 111 8.272 8.925 -0.653 1 1 1114 . 1 1 1 A 111 111 TYR HA H 111 5.155 5.537 -0.382 1 1 1121 . 1 1 1 A 111 111 TYR C C 111 175.860 174.740 1.120 1 1 1122 . 1 1 1 A 111 111 TYR CA C 111 55.820 56.709 -0.889 1 1 1123 . 1 1 1 A 111 111 TYR CB C 111 41.100 40.314 0.786 1 1 1124 . 1 1 1 A 111 111 TYR N N 111 123.680 126.753 -3.073 1 1 1125 . 1 1 1 A 112 112 VAL H H 112 9.017 9.267 -0.250 1 1 1126 . 1 1 1 A 112 112 VAL HA H 112 4.951 4.596 0.355 1 1 1134 . 1 1 1 A 112 112 VAL C C 112 176.780 176.385 0.395 1 1 1135 . 1 1 1 A 112 112 VAL CA C 112 61.130 61.006 0.124 1 1 1136 . 1 1 1 A 112 112 VAL CB C 112 32.870 34.213 -1.343 1 1 1137 . 1 1 1 A 112 112 VAL N N 112 121.300 123.437 -2.137 1 1 1138 . 1 1 1 A 113 113 ASN H H 113 10.285 9.560 0.725 1 1 1139 . 1 1 1 A 113 113 ASN HA H 113 4.483 4.358 0.125 1 1 1144 . 1 1 1 A 113 113 ASN C C 113 174.590 174.294 0.296 1 1 1145 . 1 1 1 A 113 113 ASN CA C 113 55.160 54.429 0.731 1 1 1146 . 1 1 1 A 113 113 ASN CB C 113 37.240 37.122 0.118 1 1 1147 . 1 1 1 A 113 113 ASN N N 113 129.510 127.175 2.335 1 1 1149 . 1 1 1 A 114 114 ARG H H 114 9.459 8.566 0.893 1 1 1150 . 1 1 1 A 114 114 ARG HA H 114 3.659 3.867 -0.208 1 1 1158 . 1 1 1 A 114 114 ARG C C 114 174.900 174.540 0.360 1 1 1159 . 1 1 1 A 114 114 ARG CA C 114 58.280 57.622 0.658 1 1 1160 . 1 1 1 A 114 114 ARG CB C 114 27.250 27.868 -0.618 1 1 1161 . 1 1 1 A 114 114 ARG N N 114 106.570 110.835 -4.265 1 1 1163 . 1 1 1 A 115 115 GLU H H 115 7.827 7.805 0.022 1 1 1164 . 1 1 1 A 115 115 GLU HA H 115 5.153 4.923 0.230 1 1 1169 . 1 1 1 A 115 115 GLU C C 115 173.950 174.088 -0.138 1 1 1170 . 1 1 1 A 115 115 GLU CA C 115 52.990 53.178 -0.188 1 1 1171 . 1 1 1 A 115 115 GLU N N 115 119.780 118.570 1.210 1 1 1172 . 1 1 1 A 116 116 PRO HA H 116 3.983 4.806 -0.823 1 1 1177 . 1 1 1 A 116 116 PRO C C 116 177.780 175.226 2.554 1 1 1178 . 1 1 1 A 116 116 PRO CA C 116 62.910 63.137 -0.227 1 1 1179 . 1 1 1 A 116 116 PRO CB C 116 31.200 31.773 -0.573 1 1 1180 . 1 1 1 A 117 117 ARG H H 117 8.414 8.554 -0.140 1 1 1181 . 1 1 1 A 117 117 ARG HA H 117 4.699 4.576 0.123 1 1 1189 . 1 1 1 A 117 117 ARG C C 117 175.260 175.070 0.190 1 1 1190 . 1 1 1 A 117 117 ARG CA C 117 52.990 55.063 -2.073 1 1 1191 . 1 1 1 A 117 117 ARG CB C 117 24.560 33.099 -8.539 1 1 1192 . 1 1 1 A 117 117 ARG N N 117 121.900 123.430 -1.530 1 1 1194 . 1 1 1 A 118 118 ASN H H 118 8.741 8.704 0.037 1 1 1195 . 1 1 1 A 118 118 ASN HA H 118 4.731 4.802 -0.071 1 1 1200 . 1 1 1 A 118 118 ASN C C 118 175.220 175.248 -0.028 1 1 1201 . 1 1 1 A 118 118 ASN CA C 118 55.090 54.561 0.529 1 1 1202 . 1 1 1 A 118 118 ASN CB C 118 38.920 40.644 -1.724 1 1 1203 . 1 1 1 A 118 118 ASN N N 118 120.190 121.559 -1.369 1 1 1205 . 1 1 1 A 119 119 ALA H H 119 7.372 7.562 -0.190 1 1 1206 . 1 1 1 A 119 119 ALA HA H 119 5.319 5.042 0.277 1 1 1210 . 1 1 1 A 119 119 ALA C C 119 176.720 174.849 1.871 1 1 1211 . 1 1 1 A 119 119 ALA CA C 119 52.120 51.431 0.689 1 1 1212 . 1 1 1 A 119 119 ALA CB C 119 21.460 22.308 -0.848 1 1 1213 . 1 1 1 A 119 119 ALA N N 119 120.380 118.423 1.957 1 1 1214 . 1 1 1 A 120 120 GLN H H 120 8.787 9.077 -0.290 1 1 1215 . 1 1 1 A 120 120 GLN HA H 120 4.505 4.811 -0.306 1 1 1222 . 1 1 1 A 120 120 GLN C C 120 174.380 173.836 0.544 1 1 1223 . 1 1 1 A 120 120 GLN CA C 120 56.030 54.771 1.259 1 1 1224 . 1 1 1 A 120 120 GLN CB C 120 32.790 32.538 0.252 1 1 1225 . 1 1 1 A 120 120 GLN N N 120 121.180 121.795 -0.615 1 1 1227 . 1 1 1 A 121 121 VAL H H 121 8.692 8.941 -0.249 1 1 1228 . 1 1 1 A 121 121 VAL HA H 121 4.258 4.634 -0.376 1 1 1236 . 1 1 1 A 121 121 VAL C C 121 176.510 175.214 1.296 1 1 1237 . 1 1 1 A 121 121 VAL CA C 121 64.140 61.527 2.613 1 1 1238 . 1 1 1 A 121 121 VAL CB C 121 31.700 33.078 -1.378 1 1 1239 . 1 1 1 A 121 121 VAL N N 121 129.930 126.750 3.180 1 1 1240 . 1 1 1 A 122 122 MET H H 122 8.924 9.013 -0.089 1 1 1241 . 1 1 1 A 122 122 MET HA H 122 4.419 5.026 -0.607 1 1 1249 . 1 1 1 A 122 122 MET C C 122 174.380 175.616 -1.236 1 1 1250 . 1 1 1 A 122 122 MET CA C 122 55.740 54.014 1.726 1 1 1251 . 1 1 1 A 122 122 MET CB C 122 35.140 33.037 2.103 1 1 1252 . 1 1 1 A 122 122 MET N N 122 129.560 126.381 3.179 1 1 1253 . 1 1 1 A 123 123 GLN H H 123 9.002 9.125 -0.123 1 1 1254 . 1 1 1 A 123 123 GLN HA H 123 4.823 5.065 -0.242 1 1 1261 . 1 1 1 A 123 123 GLN C C 123 175.530 174.526 1.004 1 1 1262 . 1 1 1 A 123 123 GLN CA C 123 53.570 53.839 -0.269 1 1 1263 . 1 1 1 A 123 123 GLN CB C 123 32.290 32.523 -0.233 1 1 1264 . 1 1 1 A 123 123 GLN N N 123 119.810 119.199 0.611 1 1 1266 . 1 1 1 A 124 124 THR H H 124 9.036 8.530 0.506 1 1 1267 . 1 1 1 A 124 124 THR HA H 124 4.208 4.085 0.123 1 1 1272 . 1 1 1 A 124 124 THR C C 124 175.300 175.685 -0.385 1 1 1273 . 1 1 1 A 124 124 THR CA C 124 65.510 63.791 1.719 1 1 1274 . 1 1 1 A 124 124 THR CB C 124 69.560 68.675 0.885 1 1 1275 . 1 1 1 A 124 124 THR N N 124 119.570 117.241 2.329 1 1 1276 . 1 1 1 A 125 125 GLY H H 125 9.921 9.513 0.408 1 1 1277 . 1 1 1 A 125 125 GLY HA2 H 125 4.552 3.997 0.555 1 1 1278 . 1 1 1 A 125 125 GLY HA3 H 125 3.480 4.005 -0.525 1 1 1279 . 1 1 1 A 125 125 GLY C C 125 174.650 174.283 0.367 1 1 1280 . 1 1 1 A 125 125 GLY CA C 125 44.710 45.008 -0.298 1 1 1281 . 1 1 1 A 125 125 GLY N N 125 117.920 117.263 0.657 1 1 1282 . 1 1 1 A 126 126 ASP H H 126 8.638 7.943 0.695 1 1 1283 . 1 1 1 A 126 126 ASP HA H 126 4.876 4.666 0.210 1 1 1286 . 1 1 1 A 126 126 ASP C C 126 174.650 175.018 -0.368 1 1 1287 . 1 1 1 A 126 126 ASP CA C 126 56.140 54.296 1.844 1 1 1288 . 1 1 1 A 126 126 ASP CB C 126 41.690 41.867 -0.177 1 1 1289 . 1 1 1 A 126 126 ASP N N 126 123.190 122.481 0.709 1 1 1290 . 1 1 1 A 127 127 GLU H H 127 8.316 8.786 -0.470 1 1 1291 . 1 1 1 A 127 127 GLU HA H 127 5.341 5.030 0.311 1 1 1296 . 1 1 1 A 127 127 GLU C C 127 175.990 174.974 1.016 1 1 1297 . 1 1 1 A 127 127 GLU CA C 127 54.440 54.984 -0.544 1 1 1298 . 1 1 1 A 127 127 GLU CB C 127 32.790 32.879 -0.089 1 1 1299 . 1 1 1 A 127 127 GLU N N 127 118.480 125.802 -7.322 1 1 1300 . 1 1 1 A 128 128 ILE H H 128 9.910 9.571 0.339 1 1 1301 . 1 1 1 A 128 128 ILE HA H 128 5.334 4.921 0.413 1 1 1311 . 1 1 1 A 128 128 ILE C C 128 174.700 174.341 0.359 1 1 1312 . 1 1 1 A 128 128 ILE CA C 128 59.470 60.429 -0.959 1 1 1313 . 1 1 1 A 128 128 ILE CB C 128 40.600 40.020 0.580 1 1 1314 . 1 1 1 A 128 128 ILE N N 128 128.810 127.382 1.428 1 1 1315 . 1 1 1 A 129 129 GLN H H 129 9.502 9.550 -0.048 1 1 1316 . 1 1 1 A 129 129 GLN HA H 129 5.406 4.996 0.410 1 1 1323 . 1 1 1 A 129 129 GLN C C 129 174.950 174.666 0.284 1 1 1324 . 1 1 1 A 129 129 GLN CA C 129 54.800 54.461 0.339 1 1 1325 . 1 1 1 A 129 129 GLN CB C 129 30.690 30.338 0.352 1 1 1326 . 1 1 1 A 129 129 GLN N N 129 129.270 128.137 1.133 1 1 1328 . 1 1 1 A 130 130 ILE H H 130 8.498 8.721 -0.223 1 1 1329 . 1 1 1 A 130 130 ILE HA H 130 4.116 4.547 -0.431 1 1 1339 . 1 1 1 A 130 130 ILE C C 130 174.860 175.755 -0.895 1 1 1340 . 1 1 1 A 130 130 ILE CA C 130 60.740 60.006 0.734 1 1 1341 . 1 1 1 A 130 130 ILE CB C 130 41.440 38.895 2.545 1 1 1342 . 1 1 1 A 130 130 ILE N N 130 129.070 128.370 0.700 1 1 1343 . 1 1 1 A 131 131 GLY H H 131 9.924 8.811 1.113 1 1 1344 . 1 1 1 A 131 131 GLY HA2 H 131 3.768 3.541 0.227 1 1 1345 . 1 1 1 A 131 131 GLY HA3 H 131 3.337 3.541 -0.204 1 1 1346 . 1 1 1 A 131 131 GLY C C 131 174.590 174.459 0.131 1 1 1347 . 1 1 1 A 131 131 GLY CA C 131 46.700 46.963 -0.263 1 1 1348 . 1 1 1 A 131 131 GLY N N 131 116.470 117.232 -0.762 1 1 1349 . 1 1 1 A 132 132 LYS H H 132 7.141 8.504 -1.363 1 1 1350 . 1 1 1 A 132 132 LYS HA H 132 3.750 4.369 -0.619 1 1 1357 . 1 1 1 A 132 132 LYS C C 132 175.820 175.652 0.168 1 1 1358 . 1 1 1 A 132 132 LYS CA C 132 57.550 55.734 1.816 1 1 1359 . 1 1 1 A 132 132 LYS CB C 132 33.300 32.761 0.539 1 1 1360 . 1 1 1 A 132 132 LYS N N 132 122.960 125.205 -2.245 1 1 1361 . 1 1 1 A 133 133 PHE H H 133 8.360 7.248 1.112 1 1 1362 . 1 1 1 A 133 133 PHE HA H 133 4.601 5.447 -0.846 1 1 1370 . 1 1 1 A 133 133 PHE C C 133 174.910 173.197 1.713 1 1 1371 . 1 1 1 A 133 133 PHE CA C 133 58.600 55.016 3.584 1 1 1372 . 1 1 1 A 133 133 PHE CB C 133 40.510 42.313 -1.803 1 1 1373 . 1 1 1 A 133 133 PHE N N 133 118.170 115.691 2.479 1 1 1374 . 1 1 1 A 134 134 ARG H H 134 8.698 8.940 -0.242 1 1 1375 . 1 1 1 A 134 134 ARG HA H 134 5.212 5.423 -0.211 1 1 1383 . 1 1 1 A 134 134 ARG C C 134 175.150 174.284 0.866 1 1 1384 . 1 1 1 A 134 134 ARG CA C 134 55.060 54.339 0.721 1 1 1385 . 1 1 1 A 134 134 ARG CB C 134 33.550 34.067 -0.517 1 1 1386 . 1 1 1 A 134 134 ARG N N 134 120.770 118.834 1.936 1 1 1388 . 1 1 1 A 135 135 LEU H H 135 9.904 9.368 0.536 1 1 1389 . 1 1 1 A 135 135 LEU HA H 135 5.544 5.479 0.065 1 1 1399 . 1 1 1 A 135 135 LEU C C 135 175.260 175.573 -0.313 1 1 1400 . 1 1 1 A 135 135 LEU CA C 135 53.930 53.589 0.341 1 1 1401 . 1 1 1 A 135 135 LEU CB C 135 45.550 45.050 0.500 1 1 1402 . 1 1 1 A 135 135 LEU N N 135 127.130 123.927 3.203 1 1 1403 . 1 1 1 A 136 136 VAL H H 136 9.350 9.404 -0.054 1 1 1404 . 1 1 1 A 136 136 VAL HA H 136 5.226 4.721 0.505 1 1 1412 . 1 1 1 A 136 136 VAL C C 136 174.050 174.419 -0.369 1 1 1413 . 1 1 1 A 136 136 VAL CA C 136 60.520 61.066 -0.546 1 1 1414 . 1 1 1 A 136 136 VAL CB C 136 34.890 33.536 1.354 1 1 1415 . 1 1 1 A 136 136 VAL N N 136 121.300 123.015 -1.715 1 1 1416 . 1 1 1 A 137 137 PHE H H 137 8.492 9.550 -1.058 1 1 1417 . 1 1 1 A 137 137 PHE HA H 137 5.007 4.788 0.219 1 1 1424 . 1 1 1 A 137 137 PHE C C 137 173.340 173.950 -0.610 1 1 1425 . 1 1 1 A 137 137 PHE CA C 137 57.010 57.008 0.002 1 1 1426 . 1 1 1 A 137 137 PHE CB C 137 41.770 40.400 1.370 1 1 1427 . 1 1 1 A 137 137 PHE N N 137 127.550 128.903 -1.353 1 1 1428 . 1 1 1 A 138 138 LEU H H 138 8.535 8.710 -0.175 1 1 1429 . 1 1 1 A 138 138 LEU HA H 138 4.345 4.784 -0.439 1 1 1439 . 1 1 1 A 138 138 LEU C C 138 173.390 175.109 -1.719 1 1 1440 . 1 1 1 A 138 138 LEU CA C 138 53.680 53.251 0.429 1 1 1441 . 1 1 1 A 138 138 LEU CB C 138 45.210 45.491 -0.281 1 1 1442 . 1 1 1 A 138 138 LEU N N 138 128.590 128.045 0.545 1 1 1443 . 1 1 1 A 139 139 ALA H H 139 7.502 8.060 -0.558 1 1 1444 . 1 1 1 A 139 139 ALA HA H 139 3.952 4.109 -0.157 1 1 1448 . 1 1 1 A 139 139 ALA C C 139 178.010 177.689 0.321 1 1 1449 . 1 1 1 A 139 139 ALA CA C 139 51.650 51.768 -0.118 1 1 1450 . 1 1 1 A 139 139 ALA CB C 139 20.700 19.009 1.691 1 1 1451 . 1 1 1 A 139 139 ALA N N 139 123.250 124.685 -1.435 1 1 1452 . 1 1 1 A 140 140 GLY H H 140 7.968 8.073 -0.105 1 1 1453 . 1 1 1 A 140 140 GLY HA2 H 140 4.202 3.953 0.249 1 1 1454 . 1 1 1 A 140 140 GLY HA3 H 140 3.595 3.996 -0.401 1 1 1455 . 1 1 1 A 140 140 GLY C C 140 171.240 173.119 -1.879 1 1 1456 . 1 1 1 A 140 140 GLY CA C 140 44.710 44.085 0.625 1 1 1457 . 1 1 1 A 140 140 GLY N N 140 108.040 106.605 1.435 1 1 1458 . 1 1 1 A 141 141 PRO HA H 141 4.460 4.570 -0.110 1 1 1463 . 1 1 1 A 141 141 PRO C C 141 176.150 176.697 -0.547 1 1 1464 . 1 1 1 A 141 141 PRO CA C 141 63.230 62.964 0.266 1 1 1465 . 1 1 1 A 141 141 PRO CB C 141 32.370 32.187 0.183 1 1 1466 . 1 1 1 A 142 142 ALA H H 142 8.496 8.416 0.080 1 1 1467 . 1 1 1 A 142 142 ALA HA H 142 4.363 4.626 -0.263 1 1 1471 . 1 1 1 A 142 142 ALA C C 142 177.320 177.480 -0.160 1 1 1472 . 1 1 1 A 142 142 ALA CA C 142 52.740 51.161 1.579 1 1 1473 . 1 1 1 A 142 142 ALA CB C 142 19.780 19.489 0.291 1 1 1474 . 1 1 1 A 142 142 ALA N N 142 124.080 123.843 0.237 1 1 4 . 2 1 1 A 2 2 SER H H 2 8.404 8.673 -0.269 1 1 5 . 2 1 1 A 2 2 SER HA H 2 4.430 4.839 -0.409 1 1 8 . 2 1 1 A 2 2 SER C C 2 174.220 172.728 1.492 1 1 9 . 2 1 1 A 2 2 SER CA C 2 58.650 56.583 2.067 1 1 10 . 2 1 1 A 2 2 SER CB C 2 64.280 65.484 -1.204 1 1 11 . 2 1 1 A 2 2 SER N N 2 116.880 115.364 1.516 1 1 12 . 2 1 1 A 3 3 ASP H H 3 8.314 8.565 -0.251 1 1 13 . 2 1 1 A 3 3 ASP HA H 3 4.594 4.856 -0.262 1 1 16 . 2 1 1 A 3 3 ASP C C 3 176.070 176.349 -0.279 1 1 17 . 2 1 1 A 3 3 ASP CA C 3 54.580 54.234 0.346 1 1 18 . 2 1 1 A 3 3 ASP CB C 3 41.530 41.066 0.464 1 1 19 . 2 1 1 A 3 3 ASP N N 3 122.210 122.205 0.005 1 1 20 . 2 1 1 A 4 4 ASN H H 4 8.326 8.635 -0.309 1 1 21 . 2 1 1 A 4 4 ASN HA H 4 4.748 5.231 -0.483 1 1 24 . 2 1 1 A 4 4 ASN C C 4 175.130 175.692 -0.562 1 1 25 . 2 1 1 A 4 4 ASN CA C 4 53.430 52.462 0.968 1 1 26 . 2 1 1 A 4 4 ASN CB C 4 38.920 39.790 -0.870 1 1 27 . 2 1 1 A 4 4 ASN N N 4 118.670 123.859 -5.189 1 1 28 . 2 1 1 A 5 5 ASN H H 5 8.467 8.655 -0.188 1 1 29 . 2 1 1 A 5 5 ASN HA H 5 4.702 5.328 -0.626 1 1 32 . 2 1 1 A 5 5 ASN C C 5 175.700 175.465 0.235 1 1 33 . 2 1 1 A 5 5 ASN CA C 5 53.610 51.699 1.911 1 1 34 . 2 1 1 A 5 5 ASN CB C 5 39.090 40.958 -1.868 1 1 35 . 2 1 1 A 5 5 ASN N N 5 119.070 118.795 0.275 1 1 36 . 2 1 1 A 6 6 GLY H H 6 8.333 8.419 -0.086 1 1 37 . 2 1 1 A 6 6 GLY HA2 H 6 3.960 4.175 -0.215 1 1 38 . 2 1 1 A 6 6 GLY HA3 H 6 3.960 4.179 -0.219 1 1 39 . 2 1 1 A 6 6 GLY C C 6 174.050 173.217 0.833 1 1 40 . 2 1 1 A 6 6 GLY CA C 6 45.390 43.928 1.462 1 1 41 . 2 1 1 A 6 6 GLY N N 6 109.000 106.550 2.450 1 1 42 . 2 1 1 A 7 7 THR H H 7 8.076 8.460 -0.384 1 1 43 . 2 1 1 A 7 7 THR HA H 7 4.591 4.783 -0.192 1 1 48 . 2 1 1 A 7 7 THR C C 7 172.840 173.068 -0.228 1 1 49 . 2 1 1 A 7 7 THR CA C 7 60.050 60.328 -0.278 1 1 50 . 2 1 1 A 7 7 THR N N 7 116.910 115.285 1.625 1 1 51 . 2 1 1 A 8 8 PRO HA H 8 4.414 4.553 -0.139 1 1 54 . 2 1 1 A 8 8 PRO C C 8 176.690 176.458 0.232 1 1 55 . 2 1 1 A 8 8 PRO CA C 8 63.090 62.709 0.381 1 1 56 . 2 1 1 A 8 8 PRO CB C 8 32.290 32.126 0.164 1 1 57 . 2 1 1 A 9 9 GLU H H 9 8.467 8.609 -0.142 1 1 58 . 2 1 1 A 9 9 GLU HA H 9 4.527 4.627 -0.100 1 1 63 . 2 1 1 A 9 9 GLU C C 9 174.680 174.758 -0.078 1 1 64 . 2 1 1 A 9 9 GLU CA C 9 54.550 53.901 0.649 1 1 65 . 2 1 1 A 9 9 GLU N N 9 122.910 121.083 1.827 1 1 66 . 2 1 1 A 10 10 PRO HA H 10 4.371 4.484 -0.113 1 1 71 . 2 1 1 A 10 10 PRO C C 10 176.820 176.422 0.398 1 1 72 . 2 1 1 A 10 10 PRO CA C 10 63.300 63.100 0.200 1 1 73 . 2 1 1 A 10 10 PRO CB C 10 32.290 31.718 0.572 1 1 74 . 2 1 1 A 11 11 GLN H H 11 8.543 8.341 0.202 1 1 75 . 2 1 1 A 11 11 GLN HA H 11 4.334 4.581 -0.247 1 1 82 . 2 1 1 A 11 11 GLN C C 11 176.010 174.953 1.057 1 1 83 . 2 1 1 A 11 11 GLN CA C 11 55.710 54.812 0.898 1 1 84 . 2 1 1 A 11 11 GLN CB C 11 29.520 30.172 -0.652 1 1 85 . 2 1 1 A 11 11 GLN N N 11 121.100 118.265 2.835 1 1 87 . 2 1 1 A 12 12 VAL H H 12 8.201 8.534 -0.333 1 1 88 . 2 1 1 A 12 12 VAL HA H 12 4.144 4.857 -0.713 1 1 96 . 2 1 1 A 12 12 VAL C C 12 175.940 174.770 1.170 1 1 97 . 2 1 1 A 12 12 VAL CA C 12 62.110 61.054 1.056 1 1 98 . 2 1 1 A 12 12 VAL CB C 12 32.800 33.780 -0.980 1 1 99 . 2 1 1 A 12 12 VAL N N 12 122.070 122.069 0.001 1 1 100 . 2 1 1 A 13 13 GLU H H 13 8.593 8.613 -0.020 1 1 101 . 2 1 1 A 13 13 GLU HA H 13 4.329 4.629 -0.300 1 1 106 . 2 1 1 A 13 13 GLU C C 13 176.720 174.372 2.348 1 1 107 . 2 1 1 A 13 13 GLU CA C 13 56.830 55.353 1.477 1 1 108 . 2 1 1 A 13 13 GLU CB C 13 30.860 33.875 -3.015 1 1 109 . 2 1 1 A 13 13 GLU N N 13 124.660 126.815 -2.155 1 1 138 . 2 1 1 A 17 17 VAL H H 17 8.458 8.611 -0.153 1 1 139 . 2 1 1 A 17 17 VAL HA H 17 4.183 4.635 -0.452 1 1 147 . 2 1 1 A 17 17 VAL C C 17 175.950 175.644 0.306 1 1 148 . 2 1 1 A 17 17 VAL CA C 17 63.780 62.803 0.977 1 1 149 . 2 1 1 A 17 17 VAL CB C 17 32.460 31.203 1.257 1 1 150 . 2 1 1 A 17 17 VAL N N 17 124.860 124.171 0.689 1 1 151 . 2 1 1 A 18 18 PHE H H 18 8.579 8.699 -0.120 1 1 152 . 2 1 1 A 18 18 PHE HA H 18 4.650 5.810 -1.160 1 1 160 . 2 1 1 A 18 18 PHE C C 18 173.450 173.888 -0.438 1 1 161 . 2 1 1 A 18 18 PHE CA C 18 57.480 54.946 2.534 1 1 162 . 2 1 1 A 18 18 PHE CB C 18 41.950 42.681 -0.731 1 1 163 . 2 1 1 A 18 18 PHE N N 18 127.160 123.930 3.230 1 1 164 . 2 1 1 A 19 19 ARG H H 19 7.920 8.619 -0.699 1 1 165 . 2 1 1 A 19 19 ARG HA H 19 4.196 4.677 -0.481 1 1 170 . 2 1 1 A 19 19 ARG C C 19 174.930 176.054 -1.124 1 1 171 . 2 1 1 A 19 19 ARG CA C 19 54.800 54.646 0.154 1 1 172 . 2 1 1 A 19 19 ARG CB C 19 30.610 30.734 -0.124 1 1 173 . 2 1 1 A 19 19 ARG N N 19 127.500 120.135 7.365 1 1 174 . 2 1 1 A 20 20 ALA H H 20 8.067 8.777 -0.710 1 1 175 . 2 1 1 A 20 20 ALA HA H 20 3.729 4.665 -0.936 1 1 179 . 2 1 1 A 20 20 ALA C C 20 177.630 179.179 -1.549 1 1 180 . 2 1 1 A 20 20 ALA CA C 20 53.280 51.472 1.808 1 1 181 . 2 1 1 A 20 20 ALA CB C 20 18.860 19.992 -1.132 1 1 182 . 2 1 1 A 20 20 ALA N N 20 126.460 127.967 -1.507 1 1 183 . 2 1 1 A 21 21 ASP H H 21 8.355 9.056 -0.701 1 1 184 . 2 1 1 A 21 21 ASP HA H 21 4.350 4.456 -0.106 1 1 187 . 2 1 1 A 21 21 ASP C C 21 176.720 176.725 -0.005 1 1 188 . 2 1 1 A 21 21 ASP CA C 21 54.480 55.767 -1.287 1 1 189 . 2 1 1 A 21 21 ASP CB C 21 40.350 39.834 0.516 1 1 190 . 2 1 1 A 21 21 ASP N N 21 117.850 116.748 1.102 1 1 191 . 2 1 1 A 22 22 LEU H H 22 7.705 7.889 -0.184 1 1 192 . 2 1 1 A 22 22 LEU HA H 22 4.088 4.079 0.009 1 1 202 . 2 1 1 A 22 22 LEU C C 22 177.760 177.940 -0.180 1 1 203 . 2 1 1 A 22 22 LEU CA C 22 55.780 57.325 -1.545 1 1 204 . 2 1 1 A 22 22 LEU CB C 22 41.860 41.582 0.278 1 1 205 . 2 1 1 A 22 22 LEU N N 22 121.600 118.625 2.975 1 1 206 . 2 1 1 A 23 23 LEU H H 23 7.717 7.247 0.470 1 1 207 . 2 1 1 A 23 23 LEU HA H 23 4.166 4.149 0.017 1 1 217 . 2 1 1 A 23 23 LEU C C 23 177.840 178.282 -0.442 1 1 218 . 2 1 1 A 23 23 LEU CA C 23 55.960 56.389 -0.429 1 1 219 . 2 1 1 A 23 23 LEU CB C 23 41.950 41.631 0.319 1 1 220 . 2 1 1 A 23 23 LEU N N 23 120.360 119.069 1.291 1 1 221 . 2 1 1 A 24 24 LYS H H 24 7.933 7.757 0.176 1 1 222 . 2 1 1 A 24 24 LYS HA H 24 4.174 4.068 0.106 1 1 229 . 2 1 1 A 24 24 LYS C C 24 177.190 179.269 -2.079 1 1 230 . 2 1 1 A 24 24 LYS CA C 24 57.050 59.084 -2.034 1 1 231 . 2 1 1 A 24 24 LYS CB C 24 32.880 32.017 0.863 1 1 232 . 2 1 1 A 24 24 LYS N N 24 121.120 120.354 0.766 1 1 233 . 2 1 1 A 25 25 GLU H H 25 8.160 8.212 -0.052 1 1 234 . 2 1 1 A 25 25 GLU HA H 25 4.199 3.961 0.238 1 1 239 . 2 1 1 A 25 25 GLU C C 25 176.900 179.104 -2.204 1 1 240 . 2 1 1 A 25 25 GLU CA C 25 57.010 59.353 -2.343 1 1 241 . 2 1 1 A 25 25 GLU CB C 25 30.280 29.378 0.902 1 1 242 . 2 1 1 A 25 25 GLU N N 25 121.550 118.991 2.559 1 1 243 . 2 1 1 A 26 26 MET H H 26 8.270 8.198 0.072 1 1 244 . 2 1 1 A 26 26 MET HA H 26 4.360 4.108 0.252 1 1 252 . 2 1 1 A 26 26 MET C C 26 176.440 177.919 -1.479 1 1 253 . 2 1 1 A 26 26 MET CA C 26 56.180 58.391 -2.211 1 1 254 . 2 1 1 A 26 26 MET CB C 26 33.050 32.520 0.530 1 1 255 . 2 1 1 A 26 26 MET N N 26 120.730 118.713 2.017 1 1 256 . 2 1 1 A 27 27 GLU H H 27 8.297 8.548 -0.251 1 1 257 . 2 1 1 A 27 27 GLU HA H 27 4.264 4.124 0.140 1 1 262 . 2 1 1 A 27 27 GLU C C 27 176.650 178.312 -1.662 1 1 263 . 2 1 1 A 27 27 GLU CA C 27 56.830 58.924 -2.094 1 1 264 . 2 1 1 A 27 27 GLU CB C 27 30.530 28.746 1.784 1 1 265 . 2 1 1 A 27 27 GLU N N 27 121.650 119.348 2.302 1 1 266 . 2 1 1 A 28 28 SER H H 28 8.279 8.015 0.264 1 1 267 . 2 1 1 A 28 28 SER HA H 28 4.473 4.292 0.181 1 1 270 . 2 1 1 A 28 28 SER C C 28 174.760 176.000 -1.240 1 1 271 . 2 1 1 A 28 28 SER CA C 28 58.460 61.294 -2.834 1 1 272 . 2 1 1 A 28 28 SER CB C 28 64.190 63.316 0.874 1 1 273 . 2 1 1 A 28 28 SER N N 28 116.610 118.003 -1.393 1 1 274 . 2 1 1 A 29 29 SER H H 29 8.443 7.667 0.776 1 1 275 . 2 1 1 A 29 29 SER HA H 29 4.541 4.395 0.146 1 1 278 . 2 1 1 A 29 29 SER C C 29 174.950 174.920 0.030 1 1 279 . 2 1 1 A 29 29 SER CA C 29 58.530 61.032 -2.502 1 1 280 . 2 1 1 A 29 29 SER CB C 29 64.190 63.763 0.427 1 1 281 . 2 1 1 A 29 29 SER N N 29 118.290 114.284 4.006 1 1 282 . 2 1 1 A 30 30 THR H H 30 8.220 7.386 0.834 1 1 283 . 2 1 1 A 30 30 THR HA H 30 4.372 4.167 0.205 1 1 288 . 2 1 1 A 30 30 THR C C 30 175.280 175.655 -0.375 1 1 289 . 2 1 1 A 30 30 THR CA C 30 62.260 64.791 -2.531 1 1 290 . 2 1 1 A 30 30 THR CB C 30 69.900 67.842 2.058 1 1 291 . 2 1 1 A 30 30 THR N N 30 115.600 114.902 0.698 1 1 292 . 2 1 1 A 31 31 GLY H H 31 8.401 8.797 -0.396 1 1 293 . 2 1 1 A 31 31 GLY HA2 H 31 4.005 4.026 -0.021 1 1 294 . 2 1 1 A 31 31 GLY HA3 H 31 4.005 4.026 -0.021 1 1 295 . 2 1 1 A 31 31 GLY C C 31 174.160 173.716 0.444 1 1 296 . 2 1 1 A 31 31 GLY CA C 31 45.470 45.013 0.457 1 1 297 . 2 1 1 A 31 31 GLY N N 31 111.270 114.634 -3.364 1 1 298 . 2 1 1 A 32 32 THR H H 32 8.034 7.838 0.196 1 1 299 . 2 1 1 A 32 32 THR HA H 32 4.319 4.532 -0.213 1 1 304 . 2 1 1 A 32 32 THR C C 32 174.130 173.092 1.038 1 1 305 . 2 1 1 A 32 32 THR CA C 32 61.710 61.380 0.330 1 1 306 . 2 1 1 A 32 32 THR CB C 32 70.150 70.269 -0.119 1 1 307 . 2 1 1 A 32 32 THR N N 32 113.770 116.863 -3.093 1 1 308 . 2 1 1 A 33 33 ALA H H 33 8.410 8.855 -0.445 1 1 309 . 2 1 1 A 33 33 ALA HA H 33 4.581 4.706 -0.125 1 1 313 . 2 1 1 A 33 33 ALA C C 33 175.490 175.648 -0.158 1 1 314 . 2 1 1 A 33 33 ALA CA C 33 50.680 48.582 2.098 1 1 315 . 2 1 1 A 33 33 ALA N N 33 128.320 128.793 -0.473 1 1 316 . 2 1 1 A 34 34 PRO HA H 34 4.389 4.507 -0.118 1 1 321 . 2 1 1 A 34 34 PRO C C 34 176.650 175.760 0.890 1 1 322 . 2 1 1 A 34 34 PRO CA C 34 63.090 62.575 0.515 1 1 323 . 2 1 1 A 34 34 PRO CB C 34 32.210 32.026 0.184 1 1 324 . 2 1 1 A 35 35 ALA H H 35 8.433 8.287 0.146 1 1 325 . 2 1 1 A 35 35 ALA HA H 35 4.275 4.910 -0.635 1 1 329 . 2 1 1 A 35 35 ALA C C 35 177.730 176.352 1.378 1 1 330 . 2 1 1 A 35 35 ALA CA C 35 52.590 50.757 1.833 1 1 331 . 2 1 1 A 35 35 ALA CB C 35 19.450 20.701 -1.251 1 1 332 . 2 1 1 A 35 35 ALA N N 35 124.330 124.387 -0.057 1 1 333 . 2 1 1 A 36 36 SER H H 36 8.259 8.746 -0.487 1 1 334 . 2 1 1 A 36 36 SER HA H 36 4.474 4.815 -0.341 1 1 337 . 2 1 1 A 36 36 SER C C 36 174.860 174.663 0.197 1 1 338 . 2 1 1 A 36 36 SER CA C 36 58.130 56.776 1.354 1 1 339 . 2 1 1 A 36 36 SER CB C 36 64.190 63.407 0.783 1 1 340 . 2 1 1 A 36 36 SER N N 36 114.560 117.784 -3.224 1 1 341 . 2 1 1 A 37 37 THR H H 37 8.325 8.558 -0.233 1 1 342 . 2 1 1 A 37 37 THR HA H 37 4.281 4.397 -0.116 1 1 346 . 2 1 1 A 37 37 THR C C 37 175.110 174.962 0.148 1 1 347 . 2 1 1 A 37 37 THR CA C 37 62.260 63.867 -1.607 1 1 348 . 2 1 1 A 37 37 THR CB C 37 70.150 70.022 0.128 1 1 349 . 2 1 1 A 37 37 THR N N 37 115.300 119.233 -3.933 1 1 350 . 2 1 1 A 38 38 GLY H H 38 8.511 8.007 0.504 1 1 351 . 2 1 1 A 38 38 GLY HA2 H 38 3.975 4.108 -0.133 1 1 352 . 2 1 1 A 38 38 GLY HA3 H 38 3.809 4.113 -0.304 1 1 353 . 2 1 1 A 38 38 GLY C C 38 174.470 174.771 -0.301 1 1 354 . 2 1 1 A 38 38 GLY CA C 38 45.470 46.650 -1.180 1 1 355 . 2 1 1 A 38 38 GLY N N 38 110.440 107.894 2.546 1 1 356 . 2 1 1 A 39 39 ALA H H 39 8.245 8.128 0.117 1 1 357 . 2 1 1 A 39 39 ALA HA H 39 4.164 4.306 -0.142 1 1 361 . 2 1 1 A 39 39 ALA C C 39 177.590 178.487 -0.897 1 1 362 . 2 1 1 A 39 39 ALA CA C 39 52.560 53.856 -1.296 1 1 363 . 2 1 1 A 39 39 ALA CB C 39 19.360 19.179 0.181 1 1 364 . 2 1 1 A 39 39 ALA N N 39 124.080 122.833 1.247 1 1 365 . 2 1 1 A 40 40 GLU H H 40 8.721 8.267 0.454 1 1 366 . 2 1 1 A 40 40 GLU HA H 40 4.083 4.223 -0.140 1 1 371 . 2 1 1 A 40 40 GLU C C 40 176.320 177.636 -1.316 1 1 372 . 2 1 1 A 40 40 GLU CA C 40 57.910 57.473 0.437 1 1 373 . 2 1 1 A 40 40 GLU CB C 40 29.520 29.930 -0.410 1 1 374 . 2 1 1 A 40 40 GLU N N 40 118.270 115.421 2.849 1 1 375 . 2 1 1 A 41 41 ASN H H 41 8.226 7.850 0.376 1 1 376 . 2 1 1 A 41 41 ASN HA H 41 4.716 4.576 0.140 1 1 381 . 2 1 1 A 41 41 ASN C C 41 174.800 175.246 -0.446 1 1 382 . 2 1 1 A 41 41 ASN CA C 41 52.880 55.589 -2.709 1 1 383 . 2 1 1 A 41 41 ASN CB C 41 38.840 38.803 0.037 1 1 384 . 2 1 1 A 41 41 ASN N N 41 117.620 117.569 0.051 1 1 386 . 2 1 1 A 42 42 LEU H H 42 7.629 7.942 -0.313 1 1 387 . 2 1 1 A 42 42 LEU HA H 42 4.418 3.946 0.472 1 1 397 . 2 1 1 A 42 42 LEU C C 42 174.610 176.813 -2.203 1 1 398 . 2 1 1 A 42 42 LEU CA C 42 53.170 55.738 -2.568 1 1 399 . 2 1 1 A 42 42 LEU N N 42 123.010 116.404 6.606 1 1 400 . 2 1 1 A 43 43 PRO HA H 43 4.366 4.267 0.099 1 1 407 . 2 1 1 A 43 43 PRO C C 43 177.050 177.621 -0.571 1 1 408 . 2 1 1 A 43 43 PRO CA C 43 62.260 66.410 -4.150 1 1 409 . 2 1 1 A 43 43 PRO CB C 43 32.380 31.210 1.170 1 1 410 . 2 1 1 A 44 44 ALA H H 44 8.552 7.598 0.954 1 1 411 . 2 1 1 A 44 44 ALA HA H 44 4.223 4.345 -0.122 1 1 415 . 2 1 1 A 44 44 ALA C C 44 179.500 177.907 1.593 1 1 416 . 2 1 1 A 44 44 ALA CA C 44 53.250 51.746 1.504 1 1 417 . 2 1 1 A 44 44 ALA CB C 44 18.190 18.809 -0.619 1 1 418 . 2 1 1 A 44 44 ALA N N 44 125.070 118.151 6.919 1 1 419 . 2 1 1 A 45 45 GLY H H 45 8.897 8.367 0.530 1 1 420 . 2 1 1 A 45 45 GLY HA2 H 45 4.214 3.985 0.229 1 1 421 . 2 1 1 A 45 45 GLY HA3 H 45 3.833 4.022 -0.189 1 1 422 . 2 1 1 A 45 45 GLY C C 45 173.720 173.932 -0.212 1 1 423 . 2 1 1 A 45 45 GLY CA C 45 45.790 46.061 -0.271 1 1 424 . 2 1 1 A 45 45 GLY N N 45 110.600 109.087 1.513 1 1 425 . 2 1 1 A 46 46 SER H H 46 7.690 7.859 -0.169 1 1 426 . 2 1 1 A 46 46 SER HA H 46 5.338 5.301 0.037 1 1 429 . 2 1 1 A 46 46 SER C C 46 172.990 173.382 -0.392 1 1 430 . 2 1 1 A 46 46 SER CA C 46 57.810 56.222 1.588 1 1 431 . 2 1 1 A 46 46 SER CB C 46 66.960 66.702 0.258 1 1 432 . 2 1 1 A 46 46 SER N N 46 114.180 113.517 0.663 1 1 433 . 2 1 1 A 47 47 ALA H H 47 8.435 8.867 -0.432 1 1 434 . 2 1 1 A 47 47 ALA HA H 47 4.338 4.860 -0.522 1 1 438 . 2 1 1 A 47 47 ALA C C 47 173.840 175.604 -1.764 1 1 439 . 2 1 1 A 47 47 ALA CA C 47 51.690 50.821 0.869 1 1 440 . 2 1 1 A 47 47 ALA CB C 47 24.570 22.843 1.727 1 1 441 . 2 1 1 A 47 47 ALA N N 47 120.900 122.411 -1.511 1 1 442 . 2 1 1 A 48 48 LEU H H 48 8.673 8.451 0.222 1 1 443 . 2 1 1 A 48 48 LEU HA H 48 5.021 5.223 -0.202 1 1 453 . 2 1 1 A 48 48 LEU C C 48 174.680 175.021 -0.341 1 1 454 . 2 1 1 A 48 48 LEU CA C 48 53.350 52.764 0.586 1 1 455 . 2 1 1 A 48 48 LEU CB C 48 48.150 46.157 1.993 1 1 456 . 2 1 1 A 48 48 LEU N N 48 120.170 116.164 4.006 1 1 457 . 2 1 1 A 49 49 LEU H H 49 8.686 8.902 -0.216 1 1 458 . 2 1 1 A 49 49 LEU HA H 49 5.403 5.400 0.003 1 1 468 . 2 1 1 A 49 49 LEU C C 49 176.170 175.077 1.093 1 1 469 . 2 1 1 A 49 49 LEU CA C 49 52.810 53.094 -0.284 1 1 470 . 2 1 1 A 49 49 LEU CB C 49 46.310 44.992 1.318 1 1 471 . 2 1 1 A 49 49 LEU N N 49 120.170 116.899 3.271 1 1 472 . 2 1 1 A 50 50 VAL H H 50 8.874 9.447 -0.573 1 1 473 . 2 1 1 A 50 50 VAL HA H 50 4.971 5.044 -0.073 1 1 481 . 2 1 1 A 50 50 VAL C C 50 176.740 174.519 2.221 1 1 482 . 2 1 1 A 50 50 VAL CA C 50 59.940 60.177 -0.237 1 1 483 . 2 1 1 A 50 50 VAL CB C 50 34.970 34.195 0.775 1 1 484 . 2 1 1 A 50 50 VAL N N 50 120.580 122.462 -1.882 1 1 485 . 2 1 1 A 51 51 VAL H H 51 8.984 9.210 -0.226 1 1 486 . 2 1 1 A 51 51 VAL HA H 51 4.155 4.062 0.093 1 1 494 . 2 1 1 A 51 51 VAL C C 51 176.050 176.057 -0.007 1 1 495 . 2 1 1 A 51 51 VAL CA C 51 64.280 63.181 1.099 1 1 496 . 2 1 1 A 51 51 VAL CB C 51 31.280 31.385 -0.105 1 1 497 . 2 1 1 A 51 51 VAL N N 51 125.710 128.880 -3.170 1 1 498 . 2 1 1 A 52 52 LYS H H 52 9.444 9.272 0.172 1 1 499 . 2 1 1 A 52 52 LYS HA H 52 4.450 4.389 0.061 1 1 506 . 2 1 1 A 52 52 LYS C C 52 176.150 175.766 0.384 1 1 507 . 2 1 1 A 52 52 LYS CA C 52 57.050 57.456 -0.406 1 1 508 . 2 1 1 A 52 52 LYS CB C 52 34.470 33.919 0.551 1 1 509 . 2 1 1 A 52 52 LYS N N 52 132.750 129.797 2.953 1 1 510 . 2 1 1 A 53 53 ARG H H 53 8.051 7.904 0.147 1 1 511 . 2 1 1 A 53 53 ARG HA H 53 4.685 4.850 -0.165 1 1 516 . 2 1 1 A 53 53 ARG C C 53 173.470 174.851 -1.381 1 1 517 . 2 1 1 A 53 53 ARG CA C 53 55.090 55.183 -0.093 1 1 518 . 2 1 1 A 53 53 ARG CB C 53 34.300 33.996 0.304 1 1 519 . 2 1 1 A 53 53 ARG N N 53 117.320 118.725 -1.405 1 1 520 . 2 1 1 A 54 54 GLY H H 54 8.377 8.469 -0.092 1 1 521 . 2 1 1 A 54 54 GLY HA2 H 54 4.215 3.998 0.217 1 1 522 . 2 1 1 A 54 54 GLY HA3 H 54 3.503 4.124 -0.621 1 1 523 . 2 1 1 A 54 54 GLY C C 54 171.870 174.337 -2.467 1 1 524 . 2 1 1 A 54 54 GLY CA C 54 43.770 44.156 -0.386 1 1 525 . 2 1 1 A 54 54 GLY N N 54 110.960 111.666 -0.706 1 1 526 . 2 1 1 A 55 55 PRO HA H 55 4.255 4.274 -0.019 1 1 531 . 2 1 1 A 55 55 PRO C C 55 175.940 177.474 -1.534 1 1 532 . 2 1 1 A 55 55 PRO CA C 55 64.390 64.636 -0.246 1 1 533 . 2 1 1 A 55 55 PRO CB C 55 31.360 31.888 -0.528 1 1 534 . 2 1 1 A 56 56 ASN H H 56 8.202 8.267 -0.065 1 1 535 . 2 1 1 A 56 56 ASN HA H 56 4.685 4.806 -0.121 1 1 540 . 2 1 1 A 56 56 ASN C C 56 174.410 175.520 -1.110 1 1 541 . 2 1 1 A 56 56 ASN CA C 56 52.120 52.478 -0.358 1 1 542 . 2 1 1 A 56 56 ASN CB C 56 37.070 37.648 -0.578 1 1 543 . 2 1 1 A 56 56 ASN N N 56 114.760 113.499 1.261 1 1 545 . 2 1 1 A 57 57 ALA H H 57 7.283 7.146 0.137 1 1 546 . 2 1 1 A 57 57 ALA HA H 57 3.618 4.144 -0.526 1 1 550 . 2 1 1 A 57 57 ALA C C 57 178.090 178.401 -0.311 1 1 551 . 2 1 1 A 57 57 ALA CA C 57 54.480 53.547 0.933 1 1 552 . 2 1 1 A 57 57 ALA CB C 57 17.760 18.944 -1.184 1 1 553 . 2 1 1 A 57 57 ALA N N 57 120.380 124.039 -3.659 1 1 554 . 2 1 1 A 58 58 GLY H H 58 9.052 9.483 -0.431 1 1 555 . 2 1 1 A 58 58 GLY HA2 H 58 4.449 4.014 0.435 1 1 556 . 2 1 1 A 58 58 GLY HA3 H 58 3.415 4.017 -0.602 1 1 557 . 2 1 1 A 58 58 GLY C C 58 174.610 174.264 0.346 1 1 558 . 2 1 1 A 58 58 GLY CA C 58 44.530 45.045 -0.515 1 1 559 . 2 1 1 A 58 58 GLY N N 58 112.180 110.608 1.572 1 1 560 . 2 1 1 A 59 59 ALA H H 59 8.171 7.353 0.818 1 1 561 . 2 1 1 A 59 59 ALA HA H 59 4.081 4.327 -0.246 1 1 565 . 2 1 1 A 59 59 ALA C C 59 175.220 176.826 -1.606 1 1 566 . 2 1 1 A 59 59 ALA CA C 59 53.170 51.960 1.210 1 1 567 . 2 1 1 A 59 59 ALA CB C 59 19.360 19.777 -0.417 1 1 568 . 2 1 1 A 59 59 ALA N N 59 124.650 123.854 0.796 1 1 569 . 2 1 1 A 60 60 ARG H H 60 7.751 8.849 -1.098 1 1 570 . 2 1 1 A 60 60 ARG HA H 60 5.105 5.171 -0.066 1 1 575 . 2 1 1 A 60 60 ARG C C 60 175.320 174.672 0.648 1 1 576 . 2 1 1 A 60 60 ARG CA C 60 54.150 54.411 -0.261 1 1 577 . 2 1 1 A 60 60 ARG CB C 60 34.130 33.590 0.540 1 1 578 . 2 1 1 A 60 60 ARG N N 60 116.920 118.878 -1.958 1 1 579 . 2 1 1 A 61 61 PHE H H 61 9.213 9.344 -0.131 1 1 580 . 2 1 1 A 61 61 PHE HA H 61 4.788 5.073 -0.285 1 1 587 . 2 1 1 A 61 61 PHE C C 61 173.930 175.257 -1.327 1 1 588 . 2 1 1 A 61 61 PHE CA C 61 56.500 56.078 0.422 1 1 589 . 2 1 1 A 61 61 PHE CB C 61 41.860 42.149 -0.289 1 1 590 . 2 1 1 A 61 61 PHE N N 61 121.090 120.562 0.528 1 1 591 . 2 1 1 A 62 62 LEU H H 62 8.638 8.868 -0.230 1 1 592 . 2 1 1 A 62 62 LEU HA H 62 4.566 5.019 -0.453 1 1 602 . 2 1 1 A 62 62 LEU C C 62 176.570 175.543 1.027 1 1 603 . 2 1 1 A 62 62 LEU CA C 62 55.130 53.108 2.022 1 1 604 . 2 1 1 A 62 62 LEU CB C 62 43.620 43.388 0.232 1 1 605 . 2 1 1 A 62 62 LEU N N 62 125.630 120.777 4.853 1 1 606 . 2 1 1 A 63 63 LEU H H 63 8.929 8.797 0.132 1 1 607 . 2 1 1 A 63 63 LEU HA H 63 4.852 4.807 0.045 1 1 617 . 2 1 1 A 63 63 LEU C C 63 175.070 176.952 -1.882 1 1 618 . 2 1 1 A 63 63 LEU CA C 63 53.170 53.840 -0.670 1 1 619 . 2 1 1 A 63 63 LEU CB C 63 42.110 42.402 -0.292 1 1 620 . 2 1 1 A 63 63 LEU N N 63 125.980 123.164 2.816 1 1 621 . 2 1 1 A 64 64 ASP H H 64 8.601 8.890 -0.289 1 1 622 . 2 1 1 A 64 64 ASP HA H 64 4.736 5.103 -0.367 1 1 625 . 2 1 1 A 64 64 ASP C C 64 175.130 175.803 -0.673 1 1 626 . 2 1 1 A 64 64 ASP CA C 64 53.640 53.385 0.255 1 1 627 . 2 1 1 A 64 64 ASP CB C 64 41.020 42.232 -1.212 1 1 628 . 2 1 1 A 64 64 ASP N N 64 120.910 118.884 2.026 1 1 629 . 2 1 1 A 65 65 GLN H H 65 7.497 7.573 -0.076 1 1 630 . 2 1 1 A 65 65 GLN HA H 65 4.856 4.711 0.145 1 1 637 . 2 1 1 A 65 65 GLN C C 65 173.550 175.494 -1.944 1 1 638 . 2 1 1 A 65 65 GLN CA C 65 52.780 53.425 -0.645 1 1 639 . 2 1 1 A 65 65 GLN N N 65 117.420 115.692 1.728 1 1 641 . 2 1 1 A 66 66 PRO HA H 66 4.190 4.408 -0.218 1 1 648 . 2 1 1 A 66 66 PRO C C 66 177.400 176.714 0.686 1 1 649 . 2 1 1 A 66 66 PRO CA C 66 66.810 64.853 1.957 1 1 650 . 2 1 1 A 66 66 PRO CB C 66 32.370 32.084 0.286 1 1 651 . 2 1 1 A 67 67 THR H H 67 7.647 7.512 0.135 1 1 652 . 2 1 1 A 67 67 THR HA H 67 4.811 5.139 -0.328 1 1 657 . 2 1 1 A 67 67 THR C C 67 173.280 173.142 0.138 1 1 658 . 2 1 1 A 67 67 THR CA C 67 62.830 61.194 1.636 1 1 659 . 2 1 1 A 67 67 THR CB C 67 71.740 71.550 0.190 1 1 660 . 2 1 1 A 67 67 THR N N 67 109.270 112.478 -3.208 1 1 661 . 2 1 1 A 68 68 THR H H 68 8.919 9.382 -0.463 1 1 662 . 2 1 1 A 68 68 THR HA H 68 4.968 5.076 -0.108 1 1 667 . 2 1 1 A 68 68 THR C C 68 175.090 173.916 1.174 1 1 668 . 2 1 1 A 68 68 THR CA C 68 61.820 61.697 0.123 1 1 669 . 2 1 1 A 68 68 THR CB C 68 70.730 70.616 0.114 1 1 670 . 2 1 1 A 68 68 THR N N 68 125.610 123.821 1.789 1 1 671 . 2 1 1 A 69 69 THR H H 69 10.398 9.716 0.682 1 1 672 . 2 1 1 A 69 69 THR HA H 69 4.491 5.066 -0.575 1 1 677 . 2 1 1 A 69 69 THR C C 69 173.140 173.750 -0.610 1 1 678 . 2 1 1 A 69 69 THR CA C 69 61.790 61.453 0.337 1 1 679 . 2 1 1 A 69 69 THR CB C 69 70.820 70.276 0.544 1 1 680 . 2 1 1 A 69 69 THR N N 69 121.520 122.894 -1.374 1 1 681 . 2 1 1 A 70 70 ALA H H 70 8.722 9.303 -0.581 1 1 682 . 2 1 1 A 70 70 ALA HA H 70 5.696 5.477 0.219 1 1 686 . 2 1 1 A 70 70 ALA C C 70 175.840 177.221 -1.381 1 1 687 . 2 1 1 A 70 70 ALA CA C 70 50.030 50.354 -0.324 1 1 688 . 2 1 1 A 70 70 ALA CB C 70 22.300 22.503 -0.203 1 1 689 . 2 1 1 A 70 70 ALA N N 70 122.410 128.250 -5.840 1 1 690 . 2 1 1 A 71 71 GLY H H 71 8.430 7.945 0.485 1 1 691 . 2 1 1 A 71 71 GLY HA2 H 71 4.474 4.165 0.309 1 1 692 . 2 1 1 A 71 71 GLY HA3 H 71 3.903 4.171 -0.268 1 1 693 . 2 1 1 A 71 71 GLY C C 71 170.540 171.612 -1.072 1 1 694 . 2 1 1 A 71 71 GLY CA C 71 46.300 45.986 0.314 1 1 695 . 2 1 1 A 71 71 GLY N N 71 108.960 108.129 0.831 1 1 696 . 2 1 1 A 72 72 ARG H H 72 8.341 8.481 -0.140 1 1 697 . 2 1 1 A 72 72 ARG HA H 72 4.481 5.077 -0.596 1 1 702 . 2 1 1 A 72 72 ARG C C 72 175.720 175.443 0.277 1 1 703 . 2 1 1 A 72 72 ARG CA C 72 54.800 55.545 -0.745 1 1 704 . 2 1 1 A 72 72 ARG CB C 72 32.540 31.436 1.104 1 1 705 . 2 1 1 A 72 72 ARG N N 72 120.930 121.161 -0.231 1 1 706 . 2 1 1 A 73 73 HIS H H 73 9.295 8.545 0.750 1 1 707 . 2 1 1 A 73 73 HIS HA H 73 4.403 4.972 -0.569 1 1 712 . 2 1 1 A 73 73 HIS C C 73 176.860 175.462 1.398 1 1 713 . 2 1 1 A 73 73 HIS CA C 73 57.050 57.256 -0.206 1 1 714 . 2 1 1 A 73 73 HIS N N 73 125.290 120.901 4.389 1 1 715 . 2 1 1 A 74 74 PRO HA H 74 4.373 4.578 -0.205 1 1 722 . 2 1 1 A 74 74 PRO C C 74 177.590 177.177 0.413 1 1 723 . 2 1 1 A 74 74 PRO CA C 74 64.930 64.041 0.889 1 1 724 . 2 1 1 A 74 74 PRO CB C 74 32.030 32.035 -0.005 1 1 725 . 2 1 1 A 75 75 GLU H H 75 10.575 8.729 1.846 1 1 726 . 2 1 1 A 75 75 GLU HA H 75 4.352 4.348 0.004 1 1 731 . 2 1 1 A 75 75 GLU C C 75 177.320 176.004 1.316 1 1 732 . 2 1 1 A 75 75 GLU CA C 75 56.070 57.162 -1.092 1 1 733 . 2 1 1 A 75 75 GLU CB C 75 29.010 30.082 -1.072 1 1 734 . 2 1 1 A 75 75 GLU N N 75 119.840 119.257 0.583 1 1 735 . 2 1 1 A 76 76 SER H H 76 8.236 7.576 0.660 1 1 736 . 2 1 1 A 76 76 SER HA H 76 4.100 4.827 -0.727 1 1 739 . 2 1 1 A 76 76 SER C C 76 173.120 173.820 -0.700 1 1 740 . 2 1 1 A 76 76 SER CA C 76 60.160 57.480 2.680 1 1 741 . 2 1 1 A 76 76 SER CB C 76 65.530 65.435 0.095 1 1 742 . 2 1 1 A 76 76 SER N N 76 118.860 115.258 3.602 1 1 743 . 2 1 1 A 77 77 ASP H H 77 8.541 8.500 0.041 1 1 744 . 2 1 1 A 77 77 ASP HA H 77 4.344 4.397 -0.053 1 1 747 . 2 1 1 A 77 77 ASP C C 77 177.590 176.612 0.978 1 1 748 . 2 1 1 A 77 77 ASP CA C 77 58.380 57.907 0.473 1 1 749 . 2 1 1 A 77 77 ASP CB C 77 42.110 41.090 1.020 1 1 750 . 2 1 1 A 77 77 ASP N N 77 126.720 123.160 3.560 1 1 751 . 2 1 1 A 78 78 ILE H H 78 8.571 8.111 0.460 1 1 752 . 2 1 1 A 78 78 ILE HA H 78 3.563 3.794 -0.231 1 1 762 . 2 1 1 A 78 78 ILE C C 78 172.930 174.994 -2.064 1 1 763 . 2 1 1 A 78 78 ILE CA C 78 60.880 60.313 0.567 1 1 764 . 2 1 1 A 78 78 ILE CB C 78 37.410 38.608 -1.198 1 1 765 . 2 1 1 A 78 78 ILE N N 78 120.210 119.161 1.049 1 1 766 . 2 1 1 A 79 79 PHE H H 79 8.018 8.418 -0.400 1 1 767 . 2 1 1 A 79 79 PHE HA H 79 5.018 4.763 0.255 1 1 775 . 2 1 1 A 79 79 PHE C C 79 174.130 173.970 0.160 1 1 776 . 2 1 1 A 79 79 PHE CA C 79 55.780 56.599 -0.819 1 1 777 . 2 1 1 A 79 79 PHE CB C 79 39.170 40.356 -1.186 1 1 778 . 2 1 1 A 79 79 PHE N N 79 127.300 128.457 -1.157 1 1 779 . 2 1 1 A 80 80 LEU H H 80 7.695 8.609 -0.914 1 1 780 . 2 1 1 A 80 80 LEU HA H 80 3.619 4.761 -1.142 1 1 790 . 2 1 1 A 80 80 LEU C C 80 173.720 174.206 -0.486 1 1 791 . 2 1 1 A 80 80 LEU CA C 80 52.340 53.042 -0.702 1 1 792 . 2 1 1 A 80 80 LEU CB C 80 41.770 45.377 -3.607 1 1 793 . 2 1 1 A 80 80 LEU N N 80 131.810 128.260 3.550 1 1 794 . 2 1 1 A 81 81 ASP H H 81 7.974 8.539 -0.565 1 1 795 . 2 1 1 A 81 81 ASP HA H 81 4.141 4.961 -0.820 1 1 798 . 2 1 1 A 81 81 ASP C C 81 175.130 173.714 1.416 1 1 799 . 2 1 1 A 81 81 ASP CA C 81 53.210 52.304 0.906 1 1 800 . 2 1 1 A 81 81 ASP CB C 81 39.930 43.249 -3.319 1 1 801 . 2 1 1 A 81 81 ASP N N 81 121.130 123.611 -2.481 1 1 802 . 2 1 1 A 82 82 ASP H H 82 7.583 8.650 -1.067 1 1 803 . 2 1 1 A 82 82 ASP HA H 82 4.859 5.148 -0.289 1 1 806 . 2 1 1 A 82 82 ASP C C 82 176.760 176.373 0.387 1 1 807 . 2 1 1 A 82 82 ASP CA C 82 54.980 52.317 2.663 1 1 808 . 2 1 1 A 82 82 ASP CB C 82 39.170 43.486 -4.316 1 1 809 . 2 1 1 A 82 82 ASP N N 82 121.540 126.338 -4.798 1 1 810 . 2 1 1 A 83 83 VAL H H 83 8.344 8.591 -0.247 1 1 811 . 2 1 1 A 83 83 VAL HA H 83 4.012 4.127 -0.115 1 1 819 . 2 1 1 A 83 83 VAL C C 83 174.860 175.765 -0.905 1 1 820 . 2 1 1 A 83 83 VAL CA C 83 65.330 63.635 1.695 1 1 821 . 2 1 1 A 83 83 VAL CB C 83 31.530 32.481 -0.951 1 1 822 . 2 1 1 A 83 83 VAL N N 83 122.260 120.742 1.518 1 1 823 . 2 1 1 A 84 84 THR H H 84 8.268 8.176 0.092 1 1 824 . 2 1 1 A 84 84 THR HA H 84 4.540 4.765 -0.225 1 1 828 . 2 1 1 A 84 84 THR C C 84 175.360 172.887 2.473 1 1 829 . 2 1 1 A 84 84 THR CA C 84 63.810 60.342 3.468 1 1 830 . 2 1 1 A 84 84 THR CB C 84 70.900 71.752 -0.852 1 1 831 . 2 1 1 A 84 84 THR N N 84 110.620 112.807 -2.187 1 1 832 . 2 1 1 A 85 85 VAL H H 85 8.579 8.518 0.061 1 1 833 . 2 1 1 A 85 85 VAL HA H 85 4.254 4.461 -0.207 1 1 841 . 2 1 1 A 85 85 VAL C C 85 177.070 174.985 2.085 1 1 842 . 2 1 1 A 85 85 VAL CA C 85 61.930 61.438 0.492 1 1 843 . 2 1 1 A 85 85 VAL CB C 85 32.450 31.727 0.723 1 1 844 . 2 1 1 A 85 85 VAL N N 85 126.860 122.121 4.739 1 1 845 . 2 1 1 A 86 86 SER H H 86 11.668 8.873 2.795 1 1 846 . 2 1 1 A 86 86 SER HA H 86 5.203 4.845 0.358 1 1 849 . 2 1 1 A 86 86 SER C C 86 175.470 175.699 -0.229 1 1 850 . 2 1 1 A 86 86 SER CA C 86 61.600 57.754 3.846 1 1 851 . 2 1 1 A 86 86 SER CB C 86 64.270 63.081 1.189 1 1 852 . 2 1 1 A 86 86 SER N N 86 128.670 122.413 6.257 1 1 853 . 2 1 1 A 87 87 ARG H H 87 10.946 8.690 2.256 1 1 854 . 2 1 1 A 87 87 ARG HA H 87 5.179 4.193 0.986 1 1 862 . 2 1 1 A 87 87 ARG C C 87 177.110 176.106 1.004 1 1 863 . 2 1 1 A 87 87 ARG CA C 87 60.810 58.537 2.273 1 1 864 . 2 1 1 A 87 87 ARG CB C 87 29.010 30.076 -1.066 1 1 865 . 2 1 1 A 87 87 ARG N N 87 126.810 122.312 4.498 1 1 867 . 2 1 1 A 88 88 ARG H H 88 7.946 7.670 0.276 1 1 868 . 2 1 1 A 88 88 ARG HA H 88 4.459 4.677 -0.218 1 1 876 . 2 1 1 A 88 88 ARG C C 88 172.990 175.762 -2.772 1 1 877 . 2 1 1 A 88 88 ARG CA C 88 55.060 55.795 -0.735 1 1 878 . 2 1 1 A 88 88 ARG CB C 88 29.770 32.915 -3.145 1 1 879 . 2 1 1 A 88 88 ARG N N 88 115.670 118.577 -2.907 1 1 881 . 2 1 1 A 89 89 HIS H H 89 7.613 9.080 -1.467 1 1 882 . 2 1 1 A 89 89 HIS HA H 89 4.437 4.581 -0.144 1 1 888 . 2 1 1 A 89 89 HIS C C 89 174.050 174.716 -0.666 1 1 889 . 2 1 1 A 89 89 HIS CA C 89 58.420 57.964 0.456 1 1 890 . 2 1 1 A 89 89 HIS CB C 89 32.620 31.761 0.859 1 1 891 . 2 1 1 A 89 89 HIS N N 89 124.000 125.144 -1.144 1 1 893 . 2 1 1 A 90 90 ALA H H 90 8.454 7.580 0.874 1 1 894 . 2 1 1 A 90 90 ALA HA H 90 5.529 4.723 0.806 1 1 898 . 2 1 1 A 90 90 ALA C C 90 176.260 175.169 1.091 1 1 899 . 2 1 1 A 90 90 ALA CA C 90 50.240 50.990 -0.750 1 1 900 . 2 1 1 A 90 90 ALA CB C 90 23.220 23.149 0.071 1 1 901 . 2 1 1 A 90 90 ALA N N 90 116.480 118.413 -1.933 1 1 902 . 2 1 1 A 91 91 GLU H H 91 9.216 9.126 0.090 1 1 903 . 2 1 1 A 91 91 GLU HA H 91 4.931 5.403 -0.472 1 1 908 . 2 1 1 A 91 91 GLU C C 91 173.910 174.462 -0.552 1 1 909 . 2 1 1 A 91 91 GLU CA C 91 54.690 54.804 -0.114 1 1 910 . 2 1 1 A 91 91 GLU CB C 91 34.720 32.913 1.807 1 1 911 . 2 1 1 A 91 91 GLU N N 91 118.140 117.303 0.837 1 1 912 . 2 1 1 A 92 92 PHE H H 92 9.330 9.761 -0.431 1 1 913 . 2 1 1 A 92 92 PHE HA H 92 5.502 5.277 0.225 1 1 921 . 2 1 1 A 92 92 PHE C C 92 176.650 174.670 1.980 1 1 922 . 2 1 1 A 92 92 PHE CA C 92 56.760 56.604 0.156 1 1 923 . 2 1 1 A 92 92 PHE CB C 92 41.690 40.424 1.266 1 1 924 . 2 1 1 A 92 92 PHE N N 92 119.490 122.085 -2.595 1 1 925 . 2 1 1 A 93 93 ARG H H 93 9.846 9.354 0.492 1 1 926 . 2 1 1 A 93 93 ARG HA H 93 5.610 5.019 0.591 1 1 934 . 2 1 1 A 93 93 ARG C C 93 175.010 175.007 0.003 1 1 935 . 2 1 1 A 93 93 ARG CA C 93 54.580 54.862 -0.282 1 1 936 . 2 1 1 A 93 93 ARG CB C 93 34.220 32.753 1.467 1 1 937 . 2 1 1 A 93 93 ARG N N 93 127.300 123.964 3.336 1 1 939 . 2 1 1 A 94 94 ILE H H 94 8.521 9.216 -0.695 1 1 940 . 2 1 1 A 94 94 ILE HA H 94 4.410 4.715 -0.305 1 1 950 . 2 1 1 A 94 94 ILE C C 94 176.420 174.548 1.872 1 1 951 . 2 1 1 A 94 94 ILE CA C 94 61.130 59.871 1.259 1 1 952 . 2 1 1 A 94 94 ILE CB C 94 38.830 38.332 0.498 1 1 953 . 2 1 1 A 94 94 ILE N N 94 121.680 124.398 -2.718 1 1 954 . 2 1 1 A 95 95 ASN H H 95 8.847 9.183 -0.336 1 1 955 . 2 1 1 A 95 95 ASN HA H 95 4.796 5.071 -0.275 1 1 960 . 2 1 1 A 95 95 ASN C C 95 174.430 174.333 0.097 1 1 961 . 2 1 1 A 95 95 ASN CA C 95 52.560 52.310 0.250 1 1 962 . 2 1 1 A 95 95 ASN CB C 95 40.510 40.858 -0.348 1 1 963 . 2 1 1 A 95 95 ASN N N 95 127.100 125.087 2.013 1 1 965 . 2 1 1 A 96 96 GLU H H 96 9.303 9.454 -0.151 1 1 966 . 2 1 1 A 96 96 GLU HA H 96 3.768 4.011 -0.243 1 1 971 . 2 1 1 A 96 96 GLU C C 96 176.280 176.413 -0.133 1 1 972 . 2 1 1 A 96 96 GLU CA C 96 57.150 57.524 -0.374 1 1 973 . 2 1 1 A 96 96 GLU CB C 96 27.590 28.006 -0.416 1 1 974 . 2 1 1 A 96 96 GLU N N 96 125.150 127.100 -1.950 1 1 975 . 2 1 1 A 97 97 GLY H H 97 7.937 8.394 -0.457 1 1 976 . 2 1 1 A 97 97 GLY HA2 H 97 4.042 3.710 0.332 1 1 977 . 2 1 1 A 97 97 GLY HA3 H 97 3.450 3.797 -0.347 1 1 978 . 2 1 1 A 97 97 GLY C C 97 172.990 173.595 -0.605 1 1 979 . 2 1 1 A 97 97 GLY CA C 97 45.390 45.248 0.142 1 1 980 . 2 1 1 A 97 97 GLY N N 97 104.330 104.768 -0.438 1 1 981 . 2 1 1 A 98 98 GLU H H 98 7.557 7.912 -0.355 1 1 982 . 2 1 1 A 98 98 GLU HA H 98 4.591 4.761 -0.170 1 1 987 . 2 1 1 A 98 98 GLU C C 98 174.530 175.674 -1.144 1 1 988 . 2 1 1 A 98 98 GLU CA C 98 54.770 54.574 0.196 1 1 989 . 2 1 1 A 98 98 GLU CB C 98 32.290 31.711 0.579 1 1 990 . 2 1 1 A 98 98 GLU N N 98 119.350 119.961 -0.611 1 1 991 . 2 1 1 A 99 99 PHE H H 99 9.412 9.124 0.288 1 1 992 . 2 1 1 A 99 99 PHE HA H 99 5.007 5.497 -0.490 1 1 999 . 2 1 1 A 99 99 PHE C C 99 174.050 174.982 -0.932 1 1 1000 . 2 1 1 A 99 99 PHE CA C 99 57.260 56.844 0.416 1 1 1001 . 2 1 1 A 99 99 PHE CB C 99 42.110 41.400 0.710 1 1 1002 . 2 1 1 A 99 99 PHE N N 99 122.550 120.823 1.727 1 1 1003 . 2 1 1 A 100 100 GLU H H 100 9.444 9.331 0.113 1 1 1004 . 2 1 1 A 100 100 GLU HA H 100 5.145 5.099 0.046 1 1 1009 . 2 1 1 A 100 100 GLU C C 100 175.340 174.997 0.343 1 1 1010 . 2 1 1 A 100 100 GLU CA C 100 54.080 54.978 -0.898 1 1 1011 . 2 1 1 A 100 100 GLU CB C 100 34.720 31.978 2.742 1 1 1012 . 2 1 1 A 100 100 GLU N N 100 124.080 122.164 1.916 1 1 1013 . 2 1 1 A 101 101 VAL H H 101 8.726 9.304 -0.578 1 1 1014 . 2 1 1 A 101 101 VAL HA H 101 4.900 4.699 0.201 1 1 1022 . 2 1 1 A 101 101 VAL C C 101 172.510 174.660 -2.150 1 1 1023 . 2 1 1 A 101 101 VAL CA C 101 58.710 61.146 -2.436 1 1 1024 . 2 1 1 A 101 101 VAL CB C 101 33.550 32.875 0.675 1 1 1025 . 2 1 1 A 101 101 VAL N N 101 124.500 125.695 -1.195 1 1 1026 . 2 1 1 A 102 102 VAL H H 102 8.719 9.263 -0.544 1 1 1027 . 2 1 1 A 102 102 VAL HA H 102 4.578 4.661 -0.083 1 1 1035 . 2 1 1 A 102 102 VAL C C 102 175.380 173.719 1.661 1 1 1036 . 2 1 1 A 102 102 VAL CA C 102 60.370 60.820 -0.450 1 1 1037 . 2 1 1 A 102 102 VAL CB C 102 36.060 33.909 2.151 1 1 1038 . 2 1 1 A 102 102 VAL N N 102 125.900 127.982 -2.082 1 1 1039 . 2 1 1 A 103 103 ASP H H 103 8.626 9.575 -0.949 1 1 1040 . 2 1 1 A 103 103 ASP HA H 103 4.856 4.589 0.267 1 1 1043 . 2 1 1 A 103 103 ASP C C 103 177.300 176.690 0.610 1 1 1044 . 2 1 1 A 103 103 ASP CA C 103 54.580 53.727 0.853 1 1 1045 . 2 1 1 A 103 103 ASP CB C 103 44.210 42.126 2.084 1 1 1046 . 2 1 1 A 103 103 ASP N N 103 127.250 127.749 -0.499 1 1 1047 . 2 1 1 A 104 104 VAL H H 104 7.890 8.901 -1.011 1 1 1048 . 2 1 1 A 104 104 VAL HA H 104 4.527 4.475 0.052 1 1 1056 . 2 1 1 A 104 104 VAL C C 104 174.490 176.352 -1.862 1 1 1057 . 2 1 1 A 104 104 VAL CA C 104 60.630 61.032 -0.402 1 1 1058 . 2 1 1 A 104 104 VAL CB C 104 29.350 32.547 -3.197 1 1 1059 . 2 1 1 A 104 104 VAL N N 104 119.270 119.790 -0.520 1 1 1060 . 2 1 1 A 105 105 GLY H H 105 8.690 7.854 0.836 1 1 1061 . 2 1 1 A 105 105 GLY HA2 H 105 4.270 3.930 0.340 1 1 1062 . 2 1 1 A 105 105 GLY HA3 H 105 3.685 3.985 -0.300 1 1 1063 . 2 1 1 A 105 105 GLY C C 105 175.490 175.100 0.390 1 1 1064 . 2 1 1 A 105 105 GLY CA C 105 45.650 45.469 0.181 1 1 1065 . 2 1 1 A 105 105 GLY N N 105 111.790 110.884 0.906 1 1 1066 . 2 1 1 A 106 106 SER H H 106 9.218 7.846 1.372 1 1 1067 . 2 1 1 A 106 106 SER HA H 106 3.894 4.096 -0.202 1 1 1070 . 2 1 1 A 106 106 SER C C 106 174.590 175.682 -1.092 1 1 1071 . 2 1 1 A 106 106 SER CA C 106 58.600 61.510 -2.910 1 1 1072 . 2 1 1 A 106 106 SER CB C 106 61.250 63.067 -1.817 1 1 1073 . 2 1 1 A 106 106 SER N N 106 121.540 115.443 6.097 1 1 1074 . 2 1 1 A 107 107 LEU H H 107 8.018 7.728 0.290 1 1 1075 . 2 1 1 A 107 107 LEU HA H 107 4.240 3.990 0.250 1 1 1085 . 2 1 1 A 107 107 LEU C C 107 179.420 178.244 1.176 1 1 1086 . 2 1 1 A 107 107 LEU CA C 107 57.590 57.766 -0.176 1 1 1087 . 2 1 1 A 107 107 LEU CB C 107 42.360 41.553 0.807 1 1 1088 . 2 1 1 A 107 107 LEU N N 107 121.520 120.790 0.730 1 1 1089 . 2 1 1 A 108 108 ASN H H 108 8.799 8.017 0.782 1 1 1090 . 2 1 1 A 108 108 ASN HA H 108 4.986 4.003 0.983 1 1 1093 . 2 1 1 A 108 108 ASN C C 108 175.950 175.608 0.342 1 1 1094 . 2 1 1 A 108 108 ASN CA C 108 54.440 52.802 1.638 1 1 1095 . 2 1 1 A 108 108 ASN CB C 108 41.180 39.472 1.708 1 1 1096 . 2 1 1 A 108 108 ASN N N 108 111.800 115.257 -3.457 1 1 1097 . 2 1 1 A 109 109 GLY H H 109 8.025 7.712 0.313 1 1 1098 . 2 1 1 A 109 109 GLY HA2 H 109 4.237 3.681 0.556 1 1 1099 . 2 1 1 A 109 109 GLY HA3 H 109 3.621 3.696 -0.075 1 1 1100 . 2 1 1 A 109 109 GLY C C 109 173.820 174.749 -0.929 1 1 1101 . 2 1 1 A 109 109 GLY CA C 109 44.340 46.555 -2.215 1 1 1102 . 2 1 1 A 109 109 GLY N N 109 110.600 108.208 2.392 1 1 1103 . 2 1 1 A 110 110 THR H H 110 8.770 7.979 0.791 1 1 1104 . 2 1 1 A 110 110 THR HA H 110 4.797 4.122 0.675 1 1 1109 . 2 1 1 A 110 110 THR C C 110 172.570 173.902 -1.332 1 1 1110 . 2 1 1 A 110 110 THR CA C 110 64.540 63.044 1.496 1 1 1111 . 2 1 1 A 110 110 THR CB C 110 70.230 69.206 1.024 1 1 1112 . 2 1 1 A 110 110 THR N N 110 121.240 114.352 6.888 1 1 1113 . 2 1 1 A 111 111 TYR H H 111 8.272 8.924 -0.652 1 1 1114 . 2 1 1 A 111 111 TYR HA H 111 5.155 5.122 0.033 1 1 1121 . 2 1 1 A 111 111 TYR C C 111 175.860 174.327 1.533 1 1 1122 . 2 1 1 A 111 111 TYR CA C 111 55.820 56.753 -0.933 1 1 1123 . 2 1 1 A 111 111 TYR CB C 111 41.100 41.571 -0.471 1 1 1124 . 2 1 1 A 111 111 TYR N N 111 123.680 125.633 -1.953 1 1 1125 . 2 1 1 A 112 112 VAL H H 112 9.017 9.197 -0.180 1 1 1126 . 2 1 1 A 112 112 VAL HA H 112 4.951 4.559 0.392 1 1 1134 . 2 1 1 A 112 112 VAL C C 112 176.780 176.455 0.325 1 1 1135 . 2 1 1 A 112 112 VAL CA C 112 61.130 61.118 0.012 1 1 1136 . 2 1 1 A 112 112 VAL CB C 112 32.870 33.122 -0.252 1 1 1137 . 2 1 1 A 112 112 VAL N N 112 121.300 123.742 -2.442 1 1 1138 . 2 1 1 A 113 113 ASN H H 113 10.285 9.800 0.485 1 1 1139 . 2 1 1 A 113 113 ASN HA H 113 4.483 4.320 0.163 1 1 1144 . 2 1 1 A 113 113 ASN C C 113 174.590 174.309 0.281 1 1 1145 . 2 1 1 A 113 113 ASN CA C 113 55.160 54.388 0.772 1 1 1146 . 2 1 1 A 113 113 ASN CB C 113 37.240 37.175 0.065 1 1 1147 . 2 1 1 A 113 113 ASN N N 113 129.510 126.684 2.826 1 1 1149 . 2 1 1 A 114 114 ARG H H 114 9.459 8.587 0.872 1 1 1150 . 2 1 1 A 114 114 ARG HA H 114 3.659 3.807 -0.148 1 1 1158 . 2 1 1 A 114 114 ARG C C 114 174.900 174.686 0.214 1 1 1159 . 2 1 1 A 114 114 ARG CA C 114 58.280 57.819 0.461 1 1 1160 . 2 1 1 A 114 114 ARG CB C 114 27.250 27.749 -0.499 1 1 1161 . 2 1 1 A 114 114 ARG N N 114 106.570 110.136 -3.566 1 1 1163 . 2 1 1 A 115 115 GLU H H 115 7.827 7.861 -0.034 1 1 1164 . 2 1 1 A 115 115 GLU HA H 115 5.153 4.867 0.286 1 1 1169 . 2 1 1 A 115 115 GLU C C 115 173.950 174.359 -0.409 1 1 1170 . 2 1 1 A 115 115 GLU CA C 115 52.990 52.972 0.018 1 1 1171 . 2 1 1 A 115 115 GLU N N 115 119.780 118.548 1.232 1 1 1172 . 2 1 1 A 116 116 PRO HA H 116 3.983 4.429 -0.446 1 1 1177 . 2 1 1 A 116 116 PRO C C 116 177.780 175.229 2.551 1 1 1178 . 2 1 1 A 116 116 PRO CA C 116 62.910 63.242 -0.332 1 1 1179 . 2 1 1 A 116 116 PRO CB C 116 31.200 31.877 -0.677 1 1 1180 . 2 1 1 A 117 117 ARG H H 117 8.414 8.745 -0.331 1 1 1181 . 2 1 1 A 117 117 ARG HA H 117 4.699 4.665 0.034 1 1 1189 . 2 1 1 A 117 117 ARG C C 117 175.260 175.450 -0.190 1 1 1190 . 2 1 1 A 117 117 ARG CA C 117 52.990 55.236 -2.246 1 1 1191 . 2 1 1 A 117 117 ARG CB C 117 24.560 33.003 -8.443 1 1 1192 . 2 1 1 A 117 117 ARG N N 117 121.900 124.027 -2.127 1 1 1194 . 2 1 1 A 118 118 ASN H H 118 8.741 8.531 0.210 1 1 1195 . 2 1 1 A 118 118 ASN HA H 118 4.731 4.723 0.008 1 1 1200 . 2 1 1 A 118 118 ASN C C 118 175.220 174.890 0.330 1 1 1201 . 2 1 1 A 118 118 ASN CA C 118 55.090 54.956 0.134 1 1 1202 . 2 1 1 A 118 118 ASN CB C 118 38.920 39.919 -0.999 1 1 1203 . 2 1 1 A 118 118 ASN N N 118 120.190 121.029 -0.839 1 1 1205 . 2 1 1 A 119 119 ALA H H 119 7.372 7.915 -0.543 1 1 1206 . 2 1 1 A 119 119 ALA HA H 119 5.319 5.166 0.153 1 1 1210 . 2 1 1 A 119 119 ALA C C 119 176.720 175.204 1.516 1 1 1211 . 2 1 1 A 119 119 ALA CA C 119 52.120 50.255 1.865 1 1 1212 . 2 1 1 A 119 119 ALA CB C 119 21.460 22.252 -0.792 1 1 1213 . 2 1 1 A 119 119 ALA N N 119 120.380 119.646 0.734 1 1 1214 . 2 1 1 A 120 120 GLN H H 120 8.787 8.605 0.182 1 1 1215 . 2 1 1 A 120 120 GLN HA H 120 4.505 4.637 -0.132 1 1 1222 . 2 1 1 A 120 120 GLN C C 120 174.380 173.665 0.715 1 1 1223 . 2 1 1 A 120 120 GLN CA C 120 56.030 55.068 0.962 1 1 1224 . 2 1 1 A 120 120 GLN CB C 120 32.790 32.712 0.078 1 1 1225 . 2 1 1 A 120 120 GLN N N 120 121.180 121.598 -0.418 1 1 1227 . 2 1 1 A 121 121 VAL H H 121 8.692 8.888 -0.196 1 1 1228 . 2 1 1 A 121 121 VAL HA H 121 4.258 4.605 -0.347 1 1 1236 . 2 1 1 A 121 121 VAL C C 121 176.510 175.199 1.311 1 1 1237 . 2 1 1 A 121 121 VAL CA C 121 64.140 61.752 2.388 1 1 1238 . 2 1 1 A 121 121 VAL CB C 121 31.700 32.716 -1.016 1 1 1239 . 2 1 1 A 121 121 VAL N N 121 129.930 127.116 2.814 1 1 1240 . 2 1 1 A 122 122 MET H H 122 8.924 8.501 0.423 1 1 1241 . 2 1 1 A 122 122 MET HA H 122 4.419 4.990 -0.571 1 1 1249 . 2 1 1 A 122 122 MET C C 122 174.380 175.585 -1.205 1 1 1250 . 2 1 1 A 122 122 MET CA C 122 55.740 53.980 1.760 1 1 1251 . 2 1 1 A 122 122 MET CB C 122 35.140 33.124 2.016 1 1 1252 . 2 1 1 A 122 122 MET N N 122 129.560 126.627 2.933 1 1 1253 . 2 1 1 A 123 123 GLN H H 123 9.002 8.806 0.196 1 1 1254 . 2 1 1 A 123 123 GLN HA H 123 4.823 4.944 -0.121 1 1 1261 . 2 1 1 A 123 123 GLN C C 123 175.530 176.042 -0.512 1 1 1262 . 2 1 1 A 123 123 GLN CA C 123 53.570 54.494 -0.924 1 1 1263 . 2 1 1 A 123 123 GLN CB C 123 32.290 32.259 0.031 1 1 1264 . 2 1 1 A 123 123 GLN N N 123 119.810 121.313 -1.503 1 1 1266 . 2 1 1 A 124 124 THR H H 124 9.036 8.644 0.392 1 1 1267 . 2 1 1 A 124 124 THR HA H 124 4.208 3.860 0.348 1 1 1272 . 2 1 1 A 124 124 THR C C 124 175.300 175.854 -0.554 1 1 1273 . 2 1 1 A 124 124 THR CA C 124 65.510 65.237 0.273 1 1 1274 . 2 1 1 A 124 124 THR CB C 124 69.560 68.251 1.309 1 1 1275 . 2 1 1 A 124 124 THR N N 124 119.570 117.992 1.578 1 1 1276 . 2 1 1 A 125 125 GLY H H 125 9.921 9.163 0.758 1 1 1277 . 2 1 1 A 125 125 GLY HA2 H 125 4.552 4.010 0.542 1 1 1278 . 2 1 1 A 125 125 GLY HA3 H 125 3.480 4.010 -0.530 1 1 1279 . 2 1 1 A 125 125 GLY C C 125 174.650 173.884 0.766 1 1 1280 . 2 1 1 A 125 125 GLY CA C 125 44.710 45.101 -0.391 1 1 1281 . 2 1 1 A 125 125 GLY N N 125 117.920 114.891 3.029 1 1 1282 . 2 1 1 A 126 126 ASP H H 126 8.638 8.119 0.519 1 1 1283 . 2 1 1 A 126 126 ASP HA H 126 4.876 4.890 -0.014 1 1 1286 . 2 1 1 A 126 126 ASP C C 126 174.650 175.376 -0.726 1 1 1287 . 2 1 1 A 126 126 ASP CA C 126 56.140 53.474 2.666 1 1 1288 . 2 1 1 A 126 126 ASP CB C 126 41.690 42.224 -0.534 1 1 1289 . 2 1 1 A 126 126 ASP N N 126 123.190 122.189 1.001 1 1 1290 . 2 1 1 A 127 127 GLU H H 127 8.316 8.921 -0.605 1 1 1291 . 2 1 1 A 127 127 GLU HA H 127 5.341 5.289 0.052 1 1 1296 . 2 1 1 A 127 127 GLU C C 127 175.990 175.176 0.814 1 1 1297 . 2 1 1 A 127 127 GLU CA C 127 54.440 54.645 -0.205 1 1 1298 . 2 1 1 A 127 127 GLU CB C 127 32.790 33.337 -0.547 1 1 1299 . 2 1 1 A 127 127 GLU N N 127 118.480 123.860 -5.380 1 1 1300 . 2 1 1 A 128 128 ILE H H 128 9.910 9.254 0.656 1 1 1301 . 2 1 1 A 128 128 ILE HA H 128 5.334 4.823 0.511 1 1 1311 . 2 1 1 A 128 128 ILE C C 128 174.700 174.486 0.214 1 1 1312 . 2 1 1 A 128 128 ILE CA C 128 59.470 60.141 -0.671 1 1 1313 . 2 1 1 A 128 128 ILE CB C 128 40.600 40.541 0.059 1 1 1314 . 2 1 1 A 128 128 ILE N N 128 128.810 122.560 6.250 1 1 1315 . 2 1 1 A 129 129 GLN H H 129 9.502 9.505 -0.003 1 1 1316 . 2 1 1 A 129 129 GLN HA H 129 5.406 4.911 0.495 1 1 1323 . 2 1 1 A 129 129 GLN C C 129 174.950 174.599 0.351 1 1 1324 . 2 1 1 A 129 129 GLN CA C 129 54.800 54.658 0.142 1 1 1325 . 2 1 1 A 129 129 GLN CB C 129 30.690 30.359 0.331 1 1 1326 . 2 1 1 A 129 129 GLN N N 129 129.270 127.203 2.067 1 1 1328 . 2 1 1 A 130 130 ILE H H 130 8.498 9.020 -0.522 1 1 1329 . 2 1 1 A 130 130 ILE HA H 130 4.116 4.295 -0.179 1 1 1339 . 2 1 1 A 130 130 ILE C C 130 174.860 175.819 -0.959 1 1 1340 . 2 1 1 A 130 130 ILE CA C 130 60.740 59.880 0.860 1 1 1341 . 2 1 1 A 130 130 ILE CB C 130 41.440 38.000 3.440 1 1 1342 . 2 1 1 A 130 130 ILE N N 130 129.070 128.095 0.975 1 1 1343 . 2 1 1 A 131 131 GLY H H 131 9.924 8.826 1.098 1 1 1344 . 2 1 1 A 131 131 GLY HA2 H 131 3.768 3.783 -0.015 1 1 1345 . 2 1 1 A 131 131 GLY HA3 H 131 3.337 3.826 -0.489 1 1 1346 . 2 1 1 A 131 131 GLY C C 131 174.590 174.698 -0.108 1 1 1347 . 2 1 1 A 131 131 GLY CA C 131 46.700 47.287 -0.587 1 1 1348 . 2 1 1 A 131 131 GLY N N 131 116.470 117.852 -1.382 1 1 1349 . 2 1 1 A 132 132 LYS H H 132 7.141 8.637 -1.496 1 1 1350 . 2 1 1 A 132 132 LYS HA H 132 3.750 4.500 -0.750 1 1 1357 . 2 1 1 A 132 132 LYS C C 132 175.820 175.689 0.131 1 1 1358 . 2 1 1 A 132 132 LYS CA C 132 57.550 55.882 1.668 1 1 1359 . 2 1 1 A 132 132 LYS CB C 132 33.300 33.284 0.016 1 1 1360 . 2 1 1 A 132 132 LYS N N 132 122.960 125.664 -2.704 1 1 1361 . 2 1 1 A 133 133 PHE H H 133 8.360 7.546 0.814 1 1 1362 . 2 1 1 A 133 133 PHE HA H 133 4.601 5.499 -0.898 1 1 1370 . 2 1 1 A 133 133 PHE C C 133 174.910 172.963 1.947 1 1 1371 . 2 1 1 A 133 133 PHE CA C 133 58.600 54.786 3.814 1 1 1372 . 2 1 1 A 133 133 PHE CB C 133 40.510 42.691 -2.181 1 1 1373 . 2 1 1 A 133 133 PHE N N 133 118.170 115.953 2.217 1 1 1374 . 2 1 1 A 134 134 ARG H H 134 8.698 9.058 -0.360 1 1 1375 . 2 1 1 A 134 134 ARG HA H 134 5.212 5.233 -0.021 1 1 1383 . 2 1 1 A 134 134 ARG C C 134 175.150 174.811 0.339 1 1 1384 . 2 1 1 A 134 134 ARG CA C 134 55.060 54.528 0.532 1 1 1385 . 2 1 1 A 134 134 ARG CB C 134 33.550 33.734 -0.184 1 1 1386 . 2 1 1 A 134 134 ARG N N 134 120.770 121.263 -0.493 1 1 1388 . 2 1 1 A 135 135 LEU H H 135 9.904 9.441 0.463 1 1 1389 . 2 1 1 A 135 135 LEU HA H 135 5.544 5.281 0.263 1 1 1399 . 2 1 1 A 135 135 LEU C C 135 175.260 175.631 -0.371 1 1 1400 . 2 1 1 A 135 135 LEU CA C 135 53.930 53.582 0.348 1 1 1401 . 2 1 1 A 135 135 LEU CB C 135 45.550 45.157 0.393 1 1 1402 . 2 1 1 A 135 135 LEU N N 135 127.130 127.385 -0.255 1 1 1403 . 2 1 1 A 136 136 VAL H H 136 9.350 9.381 -0.031 1 1 1404 . 2 1 1 A 136 136 VAL HA H 136 5.226 4.817 0.409 1 1 1412 . 2 1 1 A 136 136 VAL C C 136 174.050 174.163 -0.113 1 1 1413 . 2 1 1 A 136 136 VAL CA C 136 60.520 60.581 -0.061 1 1 1414 . 2 1 1 A 136 136 VAL CB C 136 34.890 33.718 1.172 1 1 1415 . 2 1 1 A 136 136 VAL N N 136 121.300 122.655 -1.355 1 1 1416 . 2 1 1 A 137 137 PHE H H 137 8.492 9.196 -0.704 1 1 1417 . 2 1 1 A 137 137 PHE HA H 137 5.007 5.293 -0.286 1 1 1424 . 2 1 1 A 137 137 PHE C C 137 173.340 174.371 -1.031 1 1 1425 . 2 1 1 A 137 137 PHE CA C 137 57.010 56.028 0.982 1 1 1426 . 2 1 1 A 137 137 PHE CB C 137 41.770 42.286 -0.516 1 1 1427 . 2 1 1 A 137 137 PHE N N 137 127.550 128.501 -0.951 1 1 1428 . 2 1 1 A 138 138 LEU H H 138 8.535 8.513 0.022 1 1 1429 . 2 1 1 A 138 138 LEU HA H 138 4.345 4.879 -0.534 1 1 1439 . 2 1 1 A 138 138 LEU C C 138 173.390 174.001 -0.611 1 1 1440 . 2 1 1 A 138 138 LEU CA C 138 53.680 53.023 0.657 1 1 1441 . 2 1 1 A 138 138 LEU CB C 138 45.210 45.521 -0.311 1 1 1442 . 2 1 1 A 138 138 LEU N N 138 128.590 123.338 5.252 1 1 1443 . 2 1 1 A 139 139 ALA H H 139 7.502 8.605 -1.103 1 1 1444 . 2 1 1 A 139 139 ALA HA H 139 3.952 4.479 -0.527 1 1 1448 . 2 1 1 A 139 139 ALA C C 139 178.010 177.257 0.753 1 1 1449 . 2 1 1 A 139 139 ALA CA C 139 51.650 50.886 0.764 1 1 1450 . 2 1 1 A 139 139 ALA CB C 139 20.700 20.412 0.288 1 1 1451 . 2 1 1 A 139 139 ALA N N 139 123.250 124.762 -1.512 1 1 1452 . 2 1 1 A 140 140 GLY H H 140 7.968 8.215 -0.247 1 1 1453 . 2 1 1 A 140 140 GLY HA2 H 140 4.202 3.978 0.224 1 1 1454 . 2 1 1 A 140 140 GLY HA3 H 140 3.595 4.002 -0.407 1 1 1455 . 2 1 1 A 140 140 GLY C C 140 171.240 174.724 -3.484 1 1 1456 . 2 1 1 A 140 140 GLY CA C 140 44.710 45.401 -0.691 1 1 1457 . 2 1 1 A 140 140 GLY N N 140 108.040 111.224 -3.184 1 1 1458 . 2 1 1 A 141 141 PRO HA H 141 4.460 4.543 -0.083 1 1 1463 . 2 1 1 A 141 141 PRO C C 141 176.150 175.482 0.668 1 1 1464 . 2 1 1 A 141 141 PRO CA C 141 63.230 62.830 0.400 1 1 1465 . 2 1 1 A 141 141 PRO CB C 141 32.370 32.548 -0.178 1 1 1466 . 2 1 1 A 142 142 ALA H H 142 8.496 8.326 0.170 1 1 1467 . 2 1 1 A 142 142 ALA HA H 142 4.363 4.736 -0.373 1 1 1471 . 2 1 1 A 142 142 ALA C C 142 177.320 175.648 1.672 1 1 1472 . 2 1 1 A 142 142 ALA CA C 142 52.740 51.443 1.297 1 1 1473 . 2 1 1 A 142 142 ALA CB C 142 19.780 19.648 0.132 1 1 1474 . 2 1 1 A 142 142 ALA N N 142 124.080 123.456 0.624 1 1 4 . 3 1 1 A 2 2 SER H H 2 8.404 8.606 -0.202 1 1 5 . 3 1 1 A 2 2 SER HA H 2 4.430 5.024 -0.594 1 1 8 . 3 1 1 A 2 2 SER C C 2 174.220 174.145 0.075 1 1 9 . 3 1 1 A 2 2 SER CA C 2 58.650 56.970 1.680 1 1 10 . 3 1 1 A 2 2 SER CB C 2 64.280 66.437 -2.157 1 1 11 . 3 1 1 A 2 2 SER N N 2 116.880 116.169 0.711 1 1 12 . 3 1 1 A 3 3 ASP H H 3 8.314 9.108 -0.794 1 1 13 . 3 1 1 A 3 3 ASP HA H 3 4.594 4.605 -0.011 1 1 16 . 3 1 1 A 3 3 ASP C C 3 176.070 174.972 1.098 1 1 17 . 3 1 1 A 3 3 ASP CA C 3 54.580 56.513 -1.933 1 1 18 . 3 1 1 A 3 3 ASP CB C 3 41.530 40.807 0.723 1 1 19 . 3 1 1 A 3 3 ASP N N 3 122.210 122.982 -0.772 1 1 20 . 3 1 1 A 4 4 ASN H H 4 8.326 7.910 0.416 1 1 21 . 3 1 1 A 4 4 ASN HA H 4 4.748 5.078 -0.330 1 1 24 . 3 1 1 A 4 4 ASN C C 4 175.130 174.278 0.852 1 1 25 . 3 1 1 A 4 4 ASN CA C 4 53.430 52.203 1.227 1 1 26 . 3 1 1 A 4 4 ASN CB C 4 38.920 42.235 -3.315 1 1 27 . 3 1 1 A 4 4 ASN N N 4 118.670 114.804 3.866 1 1 28 . 3 1 1 A 5 5 ASN H H 5 8.467 8.834 -0.367 1 1 29 . 3 1 1 A 5 5 ASN HA H 5 4.702 5.251 -0.549 1 1 32 . 3 1 1 A 5 5 ASN C C 5 175.700 174.466 1.234 1 1 33 . 3 1 1 A 5 5 ASN CA C 5 53.610 52.960 0.650 1 1 34 . 3 1 1 A 5 5 ASN CB C 5 39.090 38.990 0.100 1 1 35 . 3 1 1 A 5 5 ASN N N 5 119.070 123.050 -3.980 1 1 36 . 3 1 1 A 6 6 GLY H H 6 8.333 9.127 -0.794 1 1 37 . 3 1 1 A 6 6 GLY HA2 H 6 3.960 4.053 -0.093 1 1 38 . 3 1 1 A 6 6 GLY HA3 H 6 3.960 4.062 -0.102 1 1 39 . 3 1 1 A 6 6 GLY C C 6 174.050 172.980 1.070 1 1 40 . 3 1 1 A 6 6 GLY CA C 6 45.390 45.440 -0.050 1 1 41 . 3 1 1 A 6 6 GLY N N 6 109.000 113.513 -4.513 1 1 42 . 3 1 1 A 7 7 THR H H 7 8.076 8.616 -0.540 1 1 43 . 3 1 1 A 7 7 THR HA H 7 4.591 5.245 -0.654 1 1 48 . 3 1 1 A 7 7 THR C C 7 172.840 172.869 -0.029 1 1 49 . 3 1 1 A 7 7 THR CA C 7 60.050 59.143 0.907 1 1 50 . 3 1 1 A 7 7 THR N N 7 116.910 115.182 1.728 1 1 51 . 3 1 1 A 8 8 PRO HA H 8 4.414 4.568 -0.154 1 1 54 . 3 1 1 A 8 8 PRO C C 8 176.690 176.775 -0.085 1 1 55 . 3 1 1 A 8 8 PRO CA C 8 63.090 62.895 0.195 1 1 56 . 3 1 1 A 8 8 PRO CB C 8 32.290 31.749 0.541 1 1 57 . 3 1 1 A 9 9 GLU H H 9 8.467 8.421 0.046 1 1 58 . 3 1 1 A 9 9 GLU HA H 9 4.527 4.559 -0.032 1 1 63 . 3 1 1 A 9 9 GLU C C 9 174.680 175.202 -0.522 1 1 64 . 3 1 1 A 9 9 GLU CA C 9 54.550 54.780 -0.230 1 1 65 . 3 1 1 A 9 9 GLU N N 9 122.910 119.663 3.247 1 1 66 . 3 1 1 A 10 10 PRO HA H 10 4.371 4.466 -0.095 1 1 71 . 3 1 1 A 10 10 PRO C C 10 176.820 176.341 0.479 1 1 72 . 3 1 1 A 10 10 PRO CA C 10 63.300 63.294 0.006 1 1 73 . 3 1 1 A 10 10 PRO CB C 10 32.290 31.997 0.293 1 1 74 . 3 1 1 A 11 11 GLN H H 11 8.543 8.527 0.016 1 1 75 . 3 1 1 A 11 11 GLN HA H 11 4.334 4.977 -0.643 1 1 82 . 3 1 1 A 11 11 GLN C C 11 176.010 173.432 2.578 1 1 83 . 3 1 1 A 11 11 GLN CA C 11 55.710 54.290 1.420 1 1 84 . 3 1 1 A 11 11 GLN CB C 11 29.520 32.505 -2.985 1 1 85 . 3 1 1 A 11 11 GLN N N 11 121.100 117.742 3.358 1 1 87 . 3 1 1 A 12 12 VAL H H 12 8.201 8.671 -0.470 1 1 88 . 3 1 1 A 12 12 VAL HA H 12 4.144 4.814 -0.670 1 1 96 . 3 1 1 A 12 12 VAL C C 12 175.940 175.253 0.687 1 1 97 . 3 1 1 A 12 12 VAL CA C 12 62.110 61.320 0.790 1 1 98 . 3 1 1 A 12 12 VAL CB C 12 32.800 32.772 0.028 1 1 99 . 3 1 1 A 12 12 VAL N N 12 122.070 122.968 -0.898 1 1 100 . 3 1 1 A 13 13 GLU H H 13 8.593 8.757 -0.164 1 1 101 . 3 1 1 A 13 13 GLU HA H 13 4.329 4.851 -0.522 1 1 106 . 3 1 1 A 13 13 GLU C C 13 176.720 174.930 1.790 1 1 107 . 3 1 1 A 13 13 GLU CA C 13 56.830 54.275 2.555 1 1 108 . 3 1 1 A 13 13 GLU CB C 13 30.860 34.050 -3.190 1 1 109 . 3 1 1 A 13 13 GLU N N 13 124.660 125.336 -0.676 1 1 138 . 3 1 1 A 17 17 VAL H H 17 8.458 8.679 -0.221 1 1 139 . 3 1 1 A 17 17 VAL HA H 17 4.183 4.423 -0.240 1 1 147 . 3 1 1 A 17 17 VAL C C 17 175.950 175.511 0.439 1 1 148 . 3 1 1 A 17 17 VAL CA C 17 63.780 62.369 1.411 1 1 149 . 3 1 1 A 17 17 VAL CB C 17 32.460 31.794 0.666 1 1 150 . 3 1 1 A 17 17 VAL N N 17 124.860 124.998 -0.138 1 1 151 . 3 1 1 A 18 18 PHE H H 18 8.579 9.209 -0.630 1 1 152 . 3 1 1 A 18 18 PHE HA H 18 4.650 5.571 -0.921 1 1 160 . 3 1 1 A 18 18 PHE C C 18 173.450 174.900 -1.450 1 1 161 . 3 1 1 A 18 18 PHE CA C 18 57.480 55.494 1.986 1 1 162 . 3 1 1 A 18 18 PHE CB C 18 41.950 41.060 0.890 1 1 163 . 3 1 1 A 18 18 PHE N N 18 127.160 124.300 2.860 1 1 164 . 3 1 1 A 19 19 ARG H H 19 7.920 8.826 -0.906 1 1 165 . 3 1 1 A 19 19 ARG HA H 19 4.196 4.779 -0.583 1 1 170 . 3 1 1 A 19 19 ARG C C 19 174.930 176.026 -1.096 1 1 171 . 3 1 1 A 19 19 ARG CA C 19 54.800 54.336 0.464 1 1 172 . 3 1 1 A 19 19 ARG CB C 19 30.610 33.691 -3.081 1 1 173 . 3 1 1 A 19 19 ARG N N 19 127.500 122.199 5.301 1 1 174 . 3 1 1 A 20 20 ALA H H 20 8.067 8.771 -0.704 1 1 175 . 3 1 1 A 20 20 ALA HA H 20 3.729 4.057 -0.328 1 1 179 . 3 1 1 A 20 20 ALA C C 20 177.630 177.778 -0.148 1 1 180 . 3 1 1 A 20 20 ALA CA C 20 53.280 54.622 -1.342 1 1 181 . 3 1 1 A 20 20 ALA CB C 20 18.860 17.126 1.734 1 1 182 . 3 1 1 A 20 20 ALA N N 20 126.460 122.323 4.137 1 1 183 . 3 1 1 A 21 21 ASP H H 21 8.355 8.468 -0.113 1 1 184 . 3 1 1 A 21 21 ASP HA H 21 4.350 4.471 -0.121 1 1 187 . 3 1 1 A 21 21 ASP C C 21 176.720 178.044 -1.324 1 1 188 . 3 1 1 A 21 21 ASP CA C 21 54.480 56.960 -2.480 1 1 189 . 3 1 1 A 21 21 ASP CB C 21 40.350 40.127 0.223 1 1 190 . 3 1 1 A 21 21 ASP N N 21 117.850 117.322 0.528 1 1 191 . 3 1 1 A 22 22 LEU H H 22 7.705 8.075 -0.370 1 1 192 . 3 1 1 A 22 22 LEU HA H 22 4.088 4.157 -0.069 1 1 202 . 3 1 1 A 22 22 LEU C C 22 177.760 178.641 -0.881 1 1 203 . 3 1 1 A 22 22 LEU CA C 22 55.780 57.877 -2.097 1 1 204 . 3 1 1 A 22 22 LEU CB C 22 41.860 41.344 0.516 1 1 205 . 3 1 1 A 22 22 LEU N N 22 121.600 117.454 4.146 1 1 206 . 3 1 1 A 23 23 LEU H H 23 7.717 7.829 -0.112 1 1 207 . 3 1 1 A 23 23 LEU HA H 23 4.166 4.137 0.029 1 1 217 . 3 1 1 A 23 23 LEU C C 23 177.840 178.900 -1.060 1 1 218 . 3 1 1 A 23 23 LEU CA C 23 55.960 57.655 -1.695 1 1 219 . 3 1 1 A 23 23 LEU CB C 23 41.950 41.685 0.265 1 1 220 . 3 1 1 A 23 23 LEU N N 23 120.360 121.596 -1.236 1 1 221 . 3 1 1 A 24 24 LYS H H 24 7.933 7.812 0.121 1 1 222 . 3 1 1 A 24 24 LYS HA H 24 4.174 4.018 0.156 1 1 229 . 3 1 1 A 24 24 LYS C C 24 177.190 179.239 -2.049 1 1 230 . 3 1 1 A 24 24 LYS CA C 24 57.050 60.170 -3.120 1 1 231 . 3 1 1 A 24 24 LYS CB C 24 32.880 32.007 0.873 1 1 232 . 3 1 1 A 24 24 LYS N N 24 121.120 119.388 1.732 1 1 233 . 3 1 1 A 25 25 GLU H H 25 8.160 8.051 0.109 1 1 234 . 3 1 1 A 25 25 GLU HA H 25 4.199 4.158 0.041 1 1 239 . 3 1 1 A 25 25 GLU C C 25 176.900 178.776 -1.876 1 1 240 . 3 1 1 A 25 25 GLU CA C 25 57.010 59.404 -2.394 1 1 241 . 3 1 1 A 25 25 GLU CB C 25 30.280 29.076 1.204 1 1 242 . 3 1 1 A 25 25 GLU N N 25 121.550 119.854 1.696 1 1 243 . 3 1 1 A 26 26 MET H H 26 8.270 8.218 0.052 1 1 244 . 3 1 1 A 26 26 MET HA H 26 4.360 4.176 0.184 1 1 252 . 3 1 1 A 26 26 MET C C 26 176.440 178.194 -1.754 1 1 253 . 3 1 1 A 26 26 MET CA C 26 56.180 58.526 -2.346 1 1 254 . 3 1 1 A 26 26 MET CB C 26 33.050 31.931 1.119 1 1 255 . 3 1 1 A 26 26 MET N N 26 120.730 119.206 1.524 1 1 256 . 3 1 1 A 27 27 GLU H H 27 8.297 7.729 0.568 1 1 257 . 3 1 1 A 27 27 GLU HA H 27 4.264 4.067 0.197 1 1 262 . 3 1 1 A 27 27 GLU C C 27 176.650 179.076 -2.426 1 1 263 . 3 1 1 A 27 27 GLU CA C 27 56.830 59.344 -2.514 1 1 264 . 3 1 1 A 27 27 GLU CB C 27 30.530 29.434 1.096 1 1 265 . 3 1 1 A 27 27 GLU N N 27 121.650 119.150 2.500 1 1 266 . 3 1 1 A 28 28 SER H H 28 8.279 7.841 0.438 1 1 267 . 3 1 1 A 28 28 SER HA H 28 4.473 4.193 0.280 1 1 270 . 3 1 1 A 28 28 SER C C 28 174.760 176.295 -1.535 1 1 271 . 3 1 1 A 28 28 SER CA C 28 58.460 61.911 -3.451 1 1 272 . 3 1 1 A 28 28 SER CB C 28 64.190 62.922 1.268 1 1 273 . 3 1 1 A 28 28 SER N N 28 116.610 117.167 -0.557 1 1 274 . 3 1 1 A 29 29 SER H H 29 8.443 8.458 -0.015 1 1 275 . 3 1 1 A 29 29 SER HA H 29 4.541 4.217 0.324 1 1 278 . 3 1 1 A 29 29 SER C C 29 174.950 174.662 0.288 1 1 279 . 3 1 1 A 29 29 SER CA C 29 58.530 61.663 -3.133 1 1 280 . 3 1 1 A 29 29 SER CB C 29 64.190 63.205 0.985 1 1 281 . 3 1 1 A 29 29 SER N N 29 118.290 116.451 1.839 1 1 282 . 3 1 1 A 30 30 THR H H 30 8.220 8.052 0.168 1 1 283 . 3 1 1 A 30 30 THR HA H 30 4.372 4.439 -0.067 1 1 288 . 3 1 1 A 30 30 THR C C 30 175.280 174.307 0.973 1 1 289 . 3 1 1 A 30 30 THR CA C 30 62.260 62.288 -0.028 1 1 290 . 3 1 1 A 30 30 THR CB C 30 69.900 67.896 2.004 1 1 291 . 3 1 1 A 30 30 THR N N 30 115.600 114.569 1.031 1 1 292 . 3 1 1 A 31 31 GLY H H 31 8.401 8.214 0.187 1 1 293 . 3 1 1 A 31 31 GLY HA2 H 31 4.005 3.972 0.033 1 1 294 . 3 1 1 A 31 31 GLY HA3 H 31 4.005 3.973 0.032 1 1 295 . 3 1 1 A 31 31 GLY C C 31 174.160 173.705 0.455 1 1 296 . 3 1 1 A 31 31 GLY CA C 31 45.470 46.519 -1.049 1 1 297 . 3 1 1 A 31 31 GLY N N 31 111.270 114.595 -3.325 1 1 298 . 3 1 1 A 32 32 THR H H 32 8.034 7.931 0.103 1 1 299 . 3 1 1 A 32 32 THR HA H 32 4.319 4.665 -0.346 1 1 304 . 3 1 1 A 32 32 THR C C 32 174.130 173.146 0.984 1 1 305 . 3 1 1 A 32 32 THR CA C 32 61.710 61.592 0.118 1 1 306 . 3 1 1 A 32 32 THR CB C 32 70.150 70.513 -0.363 1 1 307 . 3 1 1 A 32 32 THR N N 32 113.770 112.116 1.654 1 1 308 . 3 1 1 A 33 33 ALA H H 33 8.410 8.832 -0.422 1 1 309 . 3 1 1 A 33 33 ALA HA H 33 4.581 4.906 -0.325 1 1 313 . 3 1 1 A 33 33 ALA C C 33 175.490 175.708 -0.218 1 1 314 . 3 1 1 A 33 33 ALA CA C 33 50.680 48.991 1.689 1 1 315 . 3 1 1 A 33 33 ALA N N 33 128.320 129.082 -0.762 1 1 316 . 3 1 1 A 34 34 PRO HA H 34 4.389 4.631 -0.242 1 1 321 . 3 1 1 A 34 34 PRO C C 34 176.650 176.769 -0.119 1 1 322 . 3 1 1 A 34 34 PRO CA C 34 63.090 62.431 0.659 1 1 323 . 3 1 1 A 34 34 PRO CB C 34 32.210 32.415 -0.205 1 1 324 . 3 1 1 A 35 35 ALA H H 35 8.433 8.289 0.144 1 1 325 . 3 1 1 A 35 35 ALA HA H 35 4.275 4.658 -0.383 1 1 329 . 3 1 1 A 35 35 ALA C C 35 177.730 176.725 1.005 1 1 330 . 3 1 1 A 35 35 ALA CA C 35 52.590 51.260 1.330 1 1 331 . 3 1 1 A 35 35 ALA CB C 35 19.450 20.407 -0.957 1 1 332 . 3 1 1 A 35 35 ALA N N 35 124.330 123.980 0.350 1 1 333 . 3 1 1 A 36 36 SER H H 36 8.259 8.367 -0.108 1 1 334 . 3 1 1 A 36 36 SER HA H 36 4.474 5.365 -0.891 1 1 337 . 3 1 1 A 36 36 SER C C 36 174.860 172.990 1.870 1 1 338 . 3 1 1 A 36 36 SER CA C 36 58.130 57.386 0.744 1 1 339 . 3 1 1 A 36 36 SER CB C 36 64.190 66.019 -1.829 1 1 340 . 3 1 1 A 36 36 SER N N 36 114.560 117.232 -2.672 1 1 341 . 3 1 1 A 37 37 THR H H 37 8.325 8.712 -0.387 1 1 342 . 3 1 1 A 37 37 THR HA H 37 4.281 4.798 -0.517 1 1 346 . 3 1 1 A 37 37 THR C C 37 175.110 175.016 0.094 1 1 347 . 3 1 1 A 37 37 THR CA C 37 62.260 61.044 1.216 1 1 348 . 3 1 1 A 37 37 THR CB C 37 70.150 71.935 -1.785 1 1 349 . 3 1 1 A 37 37 THR N N 37 115.300 118.353 -3.053 1 1 350 . 3 1 1 A 38 38 GLY H H 38 8.511 9.121 -0.610 1 1 351 . 3 1 1 A 38 38 GLY HA2 H 38 3.975 4.040 -0.065 1 1 352 . 3 1 1 A 38 38 GLY HA3 H 38 3.809 4.045 -0.236 1 1 353 . 3 1 1 A 38 38 GLY C C 38 174.470 175.248 -0.778 1 1 354 . 3 1 1 A 38 38 GLY CA C 38 45.470 45.439 0.031 1 1 355 . 3 1 1 A 38 38 GLY N N 38 110.440 113.928 -3.488 1 1 356 . 3 1 1 A 39 39 ALA H H 39 8.245 8.053 0.192 1 1 357 . 3 1 1 A 39 39 ALA HA H 39 4.164 4.202 -0.038 1 1 361 . 3 1 1 A 39 39 ALA C C 39 177.590 178.891 -1.301 1 1 362 . 3 1 1 A 39 39 ALA CA C 39 52.560 53.906 -1.346 1 1 363 . 3 1 1 A 39 39 ALA CB C 39 19.360 19.036 0.324 1 1 364 . 3 1 1 A 39 39 ALA N N 39 124.080 123.526 0.554 1 1 365 . 3 1 1 A 40 40 GLU H H 40 8.721 8.322 0.399 1 1 366 . 3 1 1 A 40 40 GLU HA H 40 4.083 4.156 -0.073 1 1 371 . 3 1 1 A 40 40 GLU C C 40 176.320 177.212 -0.892 1 1 372 . 3 1 1 A 40 40 GLU CA C 40 57.910 56.965 0.945 1 1 373 . 3 1 1 A 40 40 GLU CB C 40 29.520 29.297 0.223 1 1 374 . 3 1 1 A 40 40 GLU N N 40 118.270 115.640 2.630 1 1 375 . 3 1 1 A 41 41 ASN H H 41 8.226 7.765 0.461 1 1 376 . 3 1 1 A 41 41 ASN HA H 41 4.716 4.695 0.021 1 1 381 . 3 1 1 A 41 41 ASN C C 41 174.800 175.113 -0.313 1 1 382 . 3 1 1 A 41 41 ASN CA C 41 52.880 55.082 -2.202 1 1 383 . 3 1 1 A 41 41 ASN CB C 41 38.840 39.389 -0.549 1 1 384 . 3 1 1 A 41 41 ASN N N 41 117.620 117.825 -0.205 1 1 386 . 3 1 1 A 42 42 LEU H H 42 7.629 7.923 -0.294 1 1 387 . 3 1 1 A 42 42 LEU HA H 42 4.418 3.947 0.471 1 1 397 . 3 1 1 A 42 42 LEU C C 42 174.610 177.056 -2.446 1 1 398 . 3 1 1 A 42 42 LEU CA C 42 53.170 55.651 -2.481 1 1 399 . 3 1 1 A 42 42 LEU N N 42 123.010 116.478 6.532 1 1 400 . 3 1 1 A 43 43 PRO HA H 43 4.366 4.245 0.121 1 1 407 . 3 1 1 A 43 43 PRO C C 43 177.050 178.717 -1.667 1 1 408 . 3 1 1 A 43 43 PRO CA C 43 62.260 66.203 -3.943 1 1 409 . 3 1 1 A 43 43 PRO CB C 43 32.380 30.986 1.394 1 1 410 . 3 1 1 A 44 44 ALA H H 44 8.552 7.637 0.915 1 1 411 . 3 1 1 A 44 44 ALA HA H 44 4.223 4.264 -0.041 1 1 415 . 3 1 1 A 44 44 ALA C C 44 179.500 178.081 1.419 1 1 416 . 3 1 1 A 44 44 ALA CA C 44 53.250 52.312 0.938 1 1 417 . 3 1 1 A 44 44 ALA CB C 44 18.190 19.549 -1.359 1 1 418 . 3 1 1 A 44 44 ALA N N 44 125.070 118.587 6.483 1 1 419 . 3 1 1 A 45 45 GLY H H 45 8.897 8.664 0.233 1 1 420 . 3 1 1 A 45 45 GLY HA2 H 45 4.214 3.932 0.282 1 1 421 . 3 1 1 A 45 45 GLY HA3 H 45 3.833 3.946 -0.113 1 1 422 . 3 1 1 A 45 45 GLY C C 45 173.720 173.706 0.014 1 1 423 . 3 1 1 A 45 45 GLY CA C 45 45.790 45.560 0.230 1 1 424 . 3 1 1 A 45 45 GLY N N 45 110.600 108.373 2.227 1 1 425 . 3 1 1 A 46 46 SER H H 46 7.690 7.720 -0.030 1 1 426 . 3 1 1 A 46 46 SER HA H 46 5.338 5.167 0.171 1 1 429 . 3 1 1 A 46 46 SER C C 46 172.990 172.584 0.406 1 1 430 . 3 1 1 A 46 46 SER CA C 46 57.810 55.994 1.816 1 1 431 . 3 1 1 A 46 46 SER CB C 46 66.960 66.219 0.741 1 1 432 . 3 1 1 A 46 46 SER N N 46 114.180 115.575 -1.395 1 1 433 . 3 1 1 A 47 47 ALA H H 47 8.435 8.665 -0.230 1 1 434 . 3 1 1 A 47 47 ALA HA H 47 4.338 4.926 -0.588 1 1 438 . 3 1 1 A 47 47 ALA C C 47 173.840 175.688 -1.848 1 1 439 . 3 1 1 A 47 47 ALA CA C 47 51.690 50.463 1.227 1 1 440 . 3 1 1 A 47 47 ALA CB C 47 24.570 22.710 1.860 1 1 441 . 3 1 1 A 47 47 ALA N N 47 120.900 124.006 -3.106 1 1 442 . 3 1 1 A 48 48 LEU H H 48 8.673 8.695 -0.022 1 1 443 . 3 1 1 A 48 48 LEU HA H 48 5.021 5.161 -0.140 1 1 453 . 3 1 1 A 48 48 LEU C C 48 174.680 175.138 -0.458 1 1 454 . 3 1 1 A 48 48 LEU CA C 48 53.350 52.529 0.821 1 1 455 . 3 1 1 A 48 48 LEU CB C 48 48.150 46.236 1.914 1 1 456 . 3 1 1 A 48 48 LEU N N 48 120.170 115.717 4.453 1 1 457 . 3 1 1 A 49 49 LEU H H 49 8.686 9.082 -0.396 1 1 458 . 3 1 1 A 49 49 LEU HA H 49 5.403 5.467 -0.064 1 1 468 . 3 1 1 A 49 49 LEU C C 49 176.170 175.131 1.039 1 1 469 . 3 1 1 A 49 49 LEU CA C 49 52.810 53.282 -0.472 1 1 470 . 3 1 1 A 49 49 LEU CB C 49 46.310 44.591 1.719 1 1 471 . 3 1 1 A 49 49 LEU N N 49 120.170 119.136 1.034 1 1 472 . 3 1 1 A 50 50 VAL H H 50 8.874 9.287 -0.413 1 1 473 . 3 1 1 A 50 50 VAL HA H 50 4.971 5.013 -0.042 1 1 481 . 3 1 1 A 50 50 VAL C C 50 176.740 174.702 2.038 1 1 482 . 3 1 1 A 50 50 VAL CA C 50 59.940 59.797 0.143 1 1 483 . 3 1 1 A 50 50 VAL CB C 50 34.970 34.217 0.753 1 1 484 . 3 1 1 A 50 50 VAL N N 50 120.580 123.223 -2.643 1 1 485 . 3 1 1 A 51 51 VAL H H 51 8.984 9.220 -0.236 1 1 486 . 3 1 1 A 51 51 VAL HA H 51 4.155 3.996 0.159 1 1 494 . 3 1 1 A 51 51 VAL C C 51 176.050 175.869 0.181 1 1 495 . 3 1 1 A 51 51 VAL CA C 51 64.280 63.653 0.627 1 1 496 . 3 1 1 A 51 51 VAL CB C 51 31.280 31.116 0.164 1 1 497 . 3 1 1 A 51 51 VAL N N 51 125.710 128.323 -2.613 1 1 498 . 3 1 1 A 52 52 LYS H H 52 9.444 9.233 0.211 1 1 499 . 3 1 1 A 52 52 LYS HA H 52 4.450 4.284 0.166 1 1 506 . 3 1 1 A 52 52 LYS C C 52 176.150 176.020 0.130 1 1 507 . 3 1 1 A 52 52 LYS CA C 52 57.050 57.608 -0.558 1 1 508 . 3 1 1 A 52 52 LYS CB C 52 34.470 33.819 0.651 1 1 509 . 3 1 1 A 52 52 LYS N N 52 132.750 130.654 2.096 1 1 510 . 3 1 1 A 53 53 ARG H H 53 8.051 7.403 0.648 1 1 511 . 3 1 1 A 53 53 ARG HA H 53 4.685 4.682 0.003 1 1 516 . 3 1 1 A 53 53 ARG C C 53 173.470 174.867 -1.397 1 1 517 . 3 1 1 A 53 53 ARG CA C 53 55.090 55.677 -0.587 1 1 518 . 3 1 1 A 53 53 ARG CB C 53 34.300 33.551 0.749 1 1 519 . 3 1 1 A 53 53 ARG N N 53 117.320 118.253 -0.933 1 1 520 . 3 1 1 A 54 54 GLY H H 54 8.377 8.346 0.031 1 1 521 . 3 1 1 A 54 54 GLY HA2 H 54 4.215 3.817 0.398 1 1 522 . 3 1 1 A 54 54 GLY HA3 H 54 3.503 4.067 -0.564 1 1 523 . 3 1 1 A 54 54 GLY C C 54 171.870 174.312 -2.442 1 1 524 . 3 1 1 A 54 54 GLY CA C 54 43.770 44.347 -0.577 1 1 525 . 3 1 1 A 54 54 GLY N N 54 110.960 111.649 -0.689 1 1 526 . 3 1 1 A 55 55 PRO HA H 55 4.255 4.241 0.014 1 1 531 . 3 1 1 A 55 55 PRO C C 55 175.940 177.430 -1.490 1 1 532 . 3 1 1 A 55 55 PRO CA C 55 64.390 64.932 -0.542 1 1 533 . 3 1 1 A 55 55 PRO CB C 55 31.360 31.643 -0.283 1 1 534 . 3 1 1 A 56 56 ASN H H 56 8.202 8.072 0.130 1 1 535 . 3 1 1 A 56 56 ASN HA H 56 4.685 4.833 -0.148 1 1 540 . 3 1 1 A 56 56 ASN C C 56 174.410 174.587 -0.177 1 1 541 . 3 1 1 A 56 56 ASN CA C 56 52.120 52.671 -0.551 1 1 542 . 3 1 1 A 56 56 ASN CB C 56 37.070 38.764 -1.694 1 1 543 . 3 1 1 A 56 56 ASN N N 56 114.760 114.259 0.501 1 1 545 . 3 1 1 A 57 57 ALA H H 57 7.283 7.153 0.130 1 1 546 . 3 1 1 A 57 57 ALA HA H 57 3.618 4.078 -0.460 1 1 550 . 3 1 1 A 57 57 ALA C C 57 178.090 178.312 -0.222 1 1 551 . 3 1 1 A 57 57 ALA CA C 57 54.480 53.752 0.728 1 1 552 . 3 1 1 A 57 57 ALA CB C 57 17.760 18.592 -0.832 1 1 553 . 3 1 1 A 57 57 ALA N N 57 120.380 121.924 -1.544 1 1 554 . 3 1 1 A 58 58 GLY H H 58 9.052 9.042 0.010 1 1 555 . 3 1 1 A 58 58 GLY HA2 H 58 4.449 3.978 0.471 1 1 556 . 3 1 1 A 58 58 GLY HA3 H 58 3.415 3.980 -0.565 1 1 557 . 3 1 1 A 58 58 GLY C C 58 174.610 174.252 0.358 1 1 558 . 3 1 1 A 58 58 GLY CA C 58 44.530 44.991 -0.461 1 1 559 . 3 1 1 A 58 58 GLY N N 58 112.180 110.570 1.610 1 1 560 . 3 1 1 A 59 59 ALA H H 59 8.171 7.746 0.425 1 1 561 . 3 1 1 A 59 59 ALA HA H 59 4.081 4.262 -0.181 1 1 565 . 3 1 1 A 59 59 ALA C C 59 175.220 176.470 -1.250 1 1 566 . 3 1 1 A 59 59 ALA CA C 59 53.170 52.089 1.081 1 1 567 . 3 1 1 A 59 59 ALA CB C 59 19.360 19.885 -0.525 1 1 568 . 3 1 1 A 59 59 ALA N N 59 124.650 123.950 0.700 1 1 569 . 3 1 1 A 60 60 ARG H H 60 7.751 8.673 -0.922 1 1 570 . 3 1 1 A 60 60 ARG HA H 60 5.105 5.123 -0.018 1 1 575 . 3 1 1 A 60 60 ARG C C 60 175.320 173.770 1.550 1 1 576 . 3 1 1 A 60 60 ARG CA C 60 54.150 54.468 -0.318 1 1 577 . 3 1 1 A 60 60 ARG CB C 60 34.130 33.582 0.548 1 1 578 . 3 1 1 A 60 60 ARG N N 60 116.920 118.069 -1.149 1 1 579 . 3 1 1 A 61 61 PHE H H 61 9.213 8.834 0.379 1 1 580 . 3 1 1 A 61 61 PHE HA H 61 4.788 5.081 -0.293 1 1 587 . 3 1 1 A 61 61 PHE C C 61 173.930 174.648 -0.718 1 1 588 . 3 1 1 A 61 61 PHE CA C 61 56.500 56.589 -0.089 1 1 589 . 3 1 1 A 61 61 PHE CB C 61 41.860 42.461 -0.601 1 1 590 . 3 1 1 A 61 61 PHE N N 61 121.090 120.249 0.841 1 1 591 . 3 1 1 A 62 62 LEU H H 62 8.638 9.166 -0.528 1 1 592 . 3 1 1 A 62 62 LEU HA H 62 4.566 5.030 -0.464 1 1 602 . 3 1 1 A 62 62 LEU C C 62 176.570 175.788 0.782 1 1 603 . 3 1 1 A 62 62 LEU CA C 62 55.130 53.024 2.106 1 1 604 . 3 1 1 A 62 62 LEU CB C 62 43.620 44.374 -0.754 1 1 605 . 3 1 1 A 62 62 LEU N N 62 125.630 119.511 6.119 1 1 606 . 3 1 1 A 63 63 LEU H H 63 8.929 9.063 -0.134 1 1 607 . 3 1 1 A 63 63 LEU HA H 63 4.852 4.467 0.385 1 1 617 . 3 1 1 A 63 63 LEU C C 63 175.070 176.410 -1.340 1 1 618 . 3 1 1 A 63 63 LEU CA C 63 53.170 54.898 -1.728 1 1 619 . 3 1 1 A 63 63 LEU CB C 63 42.110 40.906 1.204 1 1 620 . 3 1 1 A 63 63 LEU N N 63 125.980 123.618 2.362 1 1 621 . 3 1 1 A 64 64 ASP H H 64 8.601 9.117 -0.516 1 1 622 . 3 1 1 A 64 64 ASP HA H 64 4.736 4.939 -0.203 1 1 625 . 3 1 1 A 64 64 ASP C C 64 175.130 175.629 -0.499 1 1 626 . 3 1 1 A 64 64 ASP CA C 64 53.640 53.233 0.407 1 1 627 . 3 1 1 A 64 64 ASP CB C 64 41.020 41.814 -0.794 1 1 628 . 3 1 1 A 64 64 ASP N N 64 120.910 126.756 -5.846 1 1 629 . 3 1 1 A 65 65 GLN H H 65 7.497 7.573 -0.076 1 1 630 . 3 1 1 A 65 65 GLN HA H 65 4.856 4.912 -0.056 1 1 637 . 3 1 1 A 65 65 GLN C C 65 173.550 175.153 -1.603 1 1 638 . 3 1 1 A 65 65 GLN CA C 65 52.780 53.385 -0.605 1 1 639 . 3 1 1 A 65 65 GLN N N 65 117.420 116.173 1.247 1 1 641 . 3 1 1 A 66 66 PRO HA H 66 4.190 4.525 -0.335 1 1 648 . 3 1 1 A 66 66 PRO C C 66 177.400 176.531 0.869 1 1 649 . 3 1 1 A 66 66 PRO CA C 66 66.810 64.299 2.511 1 1 650 . 3 1 1 A 66 66 PRO CB C 66 32.370 31.919 0.451 1 1 651 . 3 1 1 A 67 67 THR H H 67 7.647 7.568 0.079 1 1 652 . 3 1 1 A 67 67 THR HA H 67 4.811 5.107 -0.296 1 1 657 . 3 1 1 A 67 67 THR C C 67 173.280 173.257 0.023 1 1 658 . 3 1 1 A 67 67 THR CA C 67 62.830 61.248 1.582 1 1 659 . 3 1 1 A 67 67 THR CB C 67 71.740 71.547 0.193 1 1 660 . 3 1 1 A 67 67 THR N N 67 109.270 112.873 -3.603 1 1 661 . 3 1 1 A 68 68 THR H H 68 8.919 9.219 -0.300 1 1 662 . 3 1 1 A 68 68 THR HA H 68 4.968 5.149 -0.181 1 1 667 . 3 1 1 A 68 68 THR C C 68 175.090 173.797 1.293 1 1 668 . 3 1 1 A 68 68 THR CA C 68 61.820 61.735 0.085 1 1 669 . 3 1 1 A 68 68 THR CB C 68 70.730 72.314 -1.584 1 1 670 . 3 1 1 A 68 68 THR N N 68 125.610 121.829 3.781 1 1 671 . 3 1 1 A 69 69 THR H H 69 10.398 9.002 1.396 1 1 672 . 3 1 1 A 69 69 THR HA H 69 4.491 5.199 -0.708 1 1 677 . 3 1 1 A 69 69 THR C C 69 173.140 173.642 -0.502 1 1 678 . 3 1 1 A 69 69 THR CA C 69 61.790 61.116 0.674 1 1 679 . 3 1 1 A 69 69 THR CB C 69 70.820 71.808 -0.988 1 1 680 . 3 1 1 A 69 69 THR N N 69 121.520 121.592 -0.072 1 1 681 . 3 1 1 A 70 70 ALA H H 70 8.722 9.294 -0.572 1 1 682 . 3 1 1 A 70 70 ALA HA H 70 5.696 5.630 0.066 1 1 686 . 3 1 1 A 70 70 ALA C C 70 175.840 177.141 -1.301 1 1 687 . 3 1 1 A 70 70 ALA CA C 70 50.030 50.391 -0.361 1 1 688 . 3 1 1 A 70 70 ALA CB C 70 22.300 22.468 -0.168 1 1 689 . 3 1 1 A 70 70 ALA N N 70 122.410 127.405 -4.995 1 1 690 . 3 1 1 A 71 71 GLY H H 71 8.430 8.208 0.222 1 1 691 . 3 1 1 A 71 71 GLY HA2 H 71 4.474 4.223 0.251 1 1 692 . 3 1 1 A 71 71 GLY HA3 H 71 3.903 4.245 -0.342 1 1 693 . 3 1 1 A 71 71 GLY C C 71 170.540 171.560 -1.020 1 1 694 . 3 1 1 A 71 71 GLY CA C 71 46.300 46.057 0.243 1 1 695 . 3 1 1 A 71 71 GLY N N 71 108.960 108.507 0.453 1 1 696 . 3 1 1 A 72 72 ARG H H 72 8.341 8.396 -0.055 1 1 697 . 3 1 1 A 72 72 ARG HA H 72 4.481 4.804 -0.323 1 1 702 . 3 1 1 A 72 72 ARG C C 72 175.720 175.638 0.082 1 1 703 . 3 1 1 A 72 72 ARG CA C 72 54.800 55.711 -0.911 1 1 704 . 3 1 1 A 72 72 ARG CB C 72 32.540 31.343 1.197 1 1 705 . 3 1 1 A 72 72 ARG N N 72 120.930 121.265 -0.335 1 1 706 . 3 1 1 A 73 73 HIS H H 73 9.295 8.913 0.382 1 1 707 . 3 1 1 A 73 73 HIS HA H 73 4.403 4.831 -0.428 1 1 712 . 3 1 1 A 73 73 HIS C C 73 176.860 175.583 1.277 1 1 713 . 3 1 1 A 73 73 HIS CA C 73 57.050 57.109 -0.059 1 1 714 . 3 1 1 A 73 73 HIS N N 73 125.290 120.686 4.604 1 1 715 . 3 1 1 A 74 74 PRO HA H 74 4.373 4.419 -0.046 1 1 722 . 3 1 1 A 74 74 PRO C C 74 177.590 177.646 -0.056 1 1 723 . 3 1 1 A 74 74 PRO CA C 74 64.930 64.130 0.800 1 1 724 . 3 1 1 A 74 74 PRO CB C 74 32.030 31.734 0.296 1 1 725 . 3 1 1 A 75 75 GLU H H 75 10.575 8.564 2.011 1 1 726 . 3 1 1 A 75 75 GLU HA H 75 4.352 4.202 0.150 1 1 731 . 3 1 1 A 75 75 GLU C C 75 177.320 177.053 0.267 1 1 732 . 3 1 1 A 75 75 GLU CA C 75 56.070 59.026 -2.956 1 1 733 . 3 1 1 A 75 75 GLU CB C 75 29.010 29.559 -0.549 1 1 734 . 3 1 1 A 75 75 GLU N N 75 119.840 117.710 2.130 1 1 735 . 3 1 1 A 76 76 SER H H 76 8.236 7.706 0.530 1 1 736 . 3 1 1 A 76 76 SER HA H 76 4.100 4.521 -0.421 1 1 739 . 3 1 1 A 76 76 SER C C 76 173.120 174.512 -1.392 1 1 740 . 3 1 1 A 76 76 SER CA C 76 60.160 59.590 0.570 1 1 741 . 3 1 1 A 76 76 SER CB C 76 65.530 64.053 1.477 1 1 742 . 3 1 1 A 76 76 SER N N 76 118.860 115.335 3.525 1 1 743 . 3 1 1 A 77 77 ASP H H 77 8.541 8.826 -0.285 1 1 744 . 3 1 1 A 77 77 ASP HA H 77 4.344 4.342 0.002 1 1 747 . 3 1 1 A 77 77 ASP C C 77 177.590 175.647 1.943 1 1 748 . 3 1 1 A 77 77 ASP CA C 77 58.380 57.413 0.967 1 1 749 . 3 1 1 A 77 77 ASP CB C 77 42.110 40.675 1.435 1 1 750 . 3 1 1 A 77 77 ASP N N 77 126.720 123.925 2.795 1 1 751 . 3 1 1 A 78 78 ILE H H 78 8.571 8.285 0.286 1 1 752 . 3 1 1 A 78 78 ILE HA H 78 3.563 3.888 -0.325 1 1 762 . 3 1 1 A 78 78 ILE C C 78 172.930 174.720 -1.790 1 1 763 . 3 1 1 A 78 78 ILE CA C 78 60.880 60.315 0.565 1 1 764 . 3 1 1 A 78 78 ILE CB C 78 37.410 38.175 -0.765 1 1 765 . 3 1 1 A 78 78 ILE N N 78 120.210 118.607 1.603 1 1 766 . 3 1 1 A 79 79 PHE H H 79 8.018 8.759 -0.741 1 1 767 . 3 1 1 A 79 79 PHE HA H 79 5.018 4.718 0.300 1 1 775 . 3 1 1 A 79 79 PHE C C 79 174.130 174.204 -0.074 1 1 776 . 3 1 1 A 79 79 PHE CA C 79 55.780 56.483 -0.703 1 1 777 . 3 1 1 A 79 79 PHE CB C 79 39.170 39.823 -0.653 1 1 778 . 3 1 1 A 79 79 PHE N N 79 127.300 128.915 -1.615 1 1 779 . 3 1 1 A 80 80 LEU H H 80 7.695 8.900 -1.205 1 1 780 . 3 1 1 A 80 80 LEU HA H 80 3.619 4.933 -1.314 1 1 790 . 3 1 1 A 80 80 LEU C C 80 173.720 174.456 -0.736 1 1 791 . 3 1 1 A 80 80 LEU CA C 80 52.340 53.548 -1.208 1 1 792 . 3 1 1 A 80 80 LEU CB C 80 41.770 45.222 -3.452 1 1 793 . 3 1 1 A 80 80 LEU N N 80 131.810 128.404 3.406 1 1 794 . 3 1 1 A 81 81 ASP H H 81 7.974 9.149 -1.175 1 1 795 . 3 1 1 A 81 81 ASP HA H 81 4.141 5.160 -1.019 1 1 798 . 3 1 1 A 81 81 ASP C C 81 175.130 174.536 0.594 1 1 799 . 3 1 1 A 81 81 ASP CA C 81 53.210 52.538 0.672 1 1 800 . 3 1 1 A 81 81 ASP CB C 81 39.930 43.414 -3.484 1 1 801 . 3 1 1 A 81 81 ASP N N 81 121.130 125.405 -4.275 1 1 802 . 3 1 1 A 82 82 ASP H H 82 7.583 8.526 -0.943 1 1 803 . 3 1 1 A 82 82 ASP HA H 82 4.859 5.075 -0.216 1 1 806 . 3 1 1 A 82 82 ASP C C 82 176.760 175.402 1.358 1 1 807 . 3 1 1 A 82 82 ASP CA C 82 54.980 53.225 1.755 1 1 808 . 3 1 1 A 82 82 ASP CB C 82 39.170 44.145 -4.975 1 1 809 . 3 1 1 A 82 82 ASP N N 82 121.540 125.317 -3.777 1 1 810 . 3 1 1 A 83 83 VAL H H 83 8.344 8.967 -0.623 1 1 811 . 3 1 1 A 83 83 VAL HA H 83 4.012 3.639 0.373 1 1 819 . 3 1 1 A 83 83 VAL C C 83 174.860 177.276 -2.416 1 1 820 . 3 1 1 A 83 83 VAL CA C 83 65.330 65.684 -0.354 1 1 821 . 3 1 1 A 83 83 VAL CB C 83 31.530 31.734 -0.204 1 1 822 . 3 1 1 A 83 83 VAL N N 83 122.260 123.958 -1.698 1 1 823 . 3 1 1 A 84 84 THR H H 84 8.268 7.719 0.549 1 1 824 . 3 1 1 A 84 84 THR HA H 84 4.540 4.429 0.111 1 1 828 . 3 1 1 A 84 84 THR C C 84 175.360 173.960 1.400 1 1 829 . 3 1 1 A 84 84 THR CA C 84 63.810 61.070 2.740 1 1 830 . 3 1 1 A 84 84 THR CB C 84 70.900 68.672 2.228 1 1 831 . 3 1 1 A 84 84 THR N N 84 110.620 111.625 -1.005 1 1 832 . 3 1 1 A 85 85 VAL H H 85 8.579 7.509 1.070 1 1 833 . 3 1 1 A 85 85 VAL HA H 85 4.254 4.090 0.164 1 1 841 . 3 1 1 A 85 85 VAL C C 85 177.070 175.311 1.759 1 1 842 . 3 1 1 A 85 85 VAL CA C 85 61.930 62.348 -0.418 1 1 843 . 3 1 1 A 85 85 VAL CB C 85 32.450 32.019 0.431 1 1 844 . 3 1 1 A 85 85 VAL N N 85 126.860 123.513 3.347 1 1 845 . 3 1 1 A 86 86 SER H H 86 11.668 8.748 2.920 1 1 846 . 3 1 1 A 86 86 SER HA H 86 5.203 4.622 0.581 1 1 849 . 3 1 1 A 86 86 SER C C 86 175.470 175.725 -0.255 1 1 850 . 3 1 1 A 86 86 SER CA C 86 61.600 57.471 4.129 1 1 851 . 3 1 1 A 86 86 SER CB C 86 64.270 64.715 -0.445 1 1 852 . 3 1 1 A 86 86 SER N N 86 128.670 123.096 5.574 1 1 853 . 3 1 1 A 87 87 ARG H H 87 10.946 8.895 2.051 1 1 854 . 3 1 1 A 87 87 ARG HA H 87 5.179 4.091 1.088 1 1 862 . 3 1 1 A 87 87 ARG C C 87 177.110 176.151 0.959 1 1 863 . 3 1 1 A 87 87 ARG CA C 87 60.810 58.382 2.428 1 1 864 . 3 1 1 A 87 87 ARG CB C 87 29.010 29.829 -0.819 1 1 865 . 3 1 1 A 87 87 ARG N N 87 126.810 122.506 4.304 1 1 867 . 3 1 1 A 88 88 ARG H H 88 7.946 7.576 0.370 1 1 868 . 3 1 1 A 88 88 ARG HA H 88 4.459 4.645 -0.186 1 1 876 . 3 1 1 A 88 88 ARG C C 88 172.990 175.420 -2.430 1 1 877 . 3 1 1 A 88 88 ARG CA C 88 55.060 55.161 -0.101 1 1 878 . 3 1 1 A 88 88 ARG CB C 88 29.770 33.260 -3.490 1 1 879 . 3 1 1 A 88 88 ARG N N 88 115.670 116.026 -0.356 1 1 881 . 3 1 1 A 89 89 HIS H H 89 7.613 8.741 -1.128 1 1 882 . 3 1 1 A 89 89 HIS HA H 89 4.437 4.588 -0.151 1 1 888 . 3 1 1 A 89 89 HIS C C 89 174.050 174.895 -0.845 1 1 889 . 3 1 1 A 89 89 HIS CA C 89 58.420 57.987 0.433 1 1 890 . 3 1 1 A 89 89 HIS CB C 89 32.620 31.829 0.791 1 1 891 . 3 1 1 A 89 89 HIS N N 89 124.000 120.787 3.213 1 1 893 . 3 1 1 A 90 90 ALA H H 90 8.454 7.444 1.010 1 1 894 . 3 1 1 A 90 90 ALA HA H 90 5.529 4.689 0.840 1 1 898 . 3 1 1 A 90 90 ALA C C 90 176.260 174.955 1.305 1 1 899 . 3 1 1 A 90 90 ALA CA C 90 50.240 51.345 -1.105 1 1 900 . 3 1 1 A 90 90 ALA CB C 90 23.220 23.037 0.183 1 1 901 . 3 1 1 A 90 90 ALA N N 90 116.480 118.139 -1.659 1 1 902 . 3 1 1 A 91 91 GLU H H 91 9.216 9.026 0.190 1 1 903 . 3 1 1 A 91 91 GLU HA H 91 4.931 5.172 -0.241 1 1 908 . 3 1 1 A 91 91 GLU C C 91 173.910 174.492 -0.582 1 1 909 . 3 1 1 A 91 91 GLU CA C 91 54.690 54.519 0.171 1 1 910 . 3 1 1 A 91 91 GLU CB C 91 34.720 33.545 1.175 1 1 911 . 3 1 1 A 91 91 GLU N N 91 118.140 117.262 0.878 1 1 912 . 3 1 1 A 92 92 PHE H H 92 9.330 9.431 -0.101 1 1 913 . 3 1 1 A 92 92 PHE HA H 92 5.502 5.530 -0.028 1 1 921 . 3 1 1 A 92 92 PHE C C 92 176.650 174.742 1.908 1 1 922 . 3 1 1 A 92 92 PHE CA C 92 56.760 56.500 0.260 1 1 923 . 3 1 1 A 92 92 PHE CB C 92 41.690 40.874 0.816 1 1 924 . 3 1 1 A 92 92 PHE N N 92 119.490 120.379 -0.889 1 1 925 . 3 1 1 A 93 93 ARG H H 93 9.846 9.191 0.655 1 1 926 . 3 1 1 A 93 93 ARG HA H 93 5.610 5.019 0.591 1 1 934 . 3 1 1 A 93 93 ARG C C 93 175.010 174.930 0.080 1 1 935 . 3 1 1 A 93 93 ARG CA C 93 54.580 54.904 -0.324 1 1 936 . 3 1 1 A 93 93 ARG CB C 93 34.220 33.062 1.158 1 1 937 . 3 1 1 A 93 93 ARG N N 93 127.300 123.770 3.530 1 1 939 . 3 1 1 A 94 94 ILE H H 94 8.521 9.284 -0.763 1 1 940 . 3 1 1 A 94 94 ILE HA H 94 4.410 5.091 -0.681 1 1 950 . 3 1 1 A 94 94 ILE C C 94 176.420 174.687 1.733 1 1 951 . 3 1 1 A 94 94 ILE CA C 94 61.130 60.013 1.117 1 1 952 . 3 1 1 A 94 94 ILE CB C 94 38.830 38.365 0.465 1 1 953 . 3 1 1 A 94 94 ILE N N 94 121.680 124.668 -2.988 1 1 954 . 3 1 1 A 95 95 ASN H H 95 8.847 8.805 0.042 1 1 955 . 3 1 1 A 95 95 ASN HA H 95 4.796 5.320 -0.524 1 1 960 . 3 1 1 A 95 95 ASN C C 95 174.430 174.036 0.394 1 1 961 . 3 1 1 A 95 95 ASN CA C 95 52.560 51.369 1.191 1 1 962 . 3 1 1 A 95 95 ASN CB C 95 40.510 41.502 -0.992 1 1 963 . 3 1 1 A 95 95 ASN N N 95 127.100 124.296 2.804 1 1 965 . 3 1 1 A 96 96 GLU H H 96 9.303 9.413 -0.110 1 1 966 . 3 1 1 A 96 96 GLU HA H 96 3.768 4.007 -0.239 1 1 971 . 3 1 1 A 96 96 GLU C C 96 176.280 176.428 -0.148 1 1 972 . 3 1 1 A 96 96 GLU CA C 96 57.150 57.498 -0.348 1 1 973 . 3 1 1 A 96 96 GLU CB C 96 27.590 27.900 -0.310 1 1 974 . 3 1 1 A 96 96 GLU N N 96 125.150 120.491 4.659 1 1 975 . 3 1 1 A 97 97 GLY H H 97 7.937 8.553 -0.616 1 1 976 . 3 1 1 A 97 97 GLY HA2 H 97 4.042 3.665 0.377 1 1 977 . 3 1 1 A 97 97 GLY HA3 H 97 3.450 3.751 -0.301 1 1 978 . 3 1 1 A 97 97 GLY C C 97 172.990 173.522 -0.532 1 1 979 . 3 1 1 A 97 97 GLY CA C 97 45.390 45.167 0.223 1 1 980 . 3 1 1 A 97 97 GLY N N 97 104.330 104.722 -0.392 1 1 981 . 3 1 1 A 98 98 GLU H H 98 7.557 7.948 -0.391 1 1 982 . 3 1 1 A 98 98 GLU HA H 98 4.591 4.501 0.090 1 1 987 . 3 1 1 A 98 98 GLU C C 98 174.530 175.754 -1.224 1 1 988 . 3 1 1 A 98 98 GLU CA C 98 54.770 55.261 -0.491 1 1 989 . 3 1 1 A 98 98 GLU CB C 98 32.290 31.212 1.078 1 1 990 . 3 1 1 A 98 98 GLU N N 98 119.350 119.907 -0.557 1 1 991 . 3 1 1 A 99 99 PHE H H 99 9.412 9.164 0.248 1 1 992 . 3 1 1 A 99 99 PHE HA H 99 5.007 5.312 -0.305 1 1 999 . 3 1 1 A 99 99 PHE C C 99 174.050 175.315 -1.265 1 1 1000 . 3 1 1 A 99 99 PHE CA C 99 57.260 56.909 0.351 1 1 1001 . 3 1 1 A 99 99 PHE CB C 99 42.110 40.967 1.143 1 1 1002 . 3 1 1 A 99 99 PHE N N 99 122.550 121.458 1.092 1 1 1003 . 3 1 1 A 100 100 GLU H H 100 9.444 9.413 0.031 1 1 1004 . 3 1 1 A 100 100 GLU HA H 100 5.145 5.018 0.127 1 1 1009 . 3 1 1 A 100 100 GLU C C 100 175.340 174.821 0.519 1 1 1010 . 3 1 1 A 100 100 GLU CA C 100 54.080 54.610 -0.530 1 1 1011 . 3 1 1 A 100 100 GLU CB C 100 34.720 33.172 1.548 1 1 1012 . 3 1 1 A 100 100 GLU N N 100 124.080 120.573 3.507 1 1 1013 . 3 1 1 A 101 101 VAL H H 101 8.726 9.041 -0.315 1 1 1014 . 3 1 1 A 101 101 VAL HA H 101 4.900 4.685 0.215 1 1 1022 . 3 1 1 A 101 101 VAL C C 101 172.510 174.984 -2.474 1 1 1023 . 3 1 1 A 101 101 VAL CA C 101 58.710 61.321 -2.611 1 1 1024 . 3 1 1 A 101 101 VAL CB C 101 33.550 32.737 0.813 1 1 1025 . 3 1 1 A 101 101 VAL N N 101 124.500 123.737 0.763 1 1 1026 . 3 1 1 A 102 102 VAL H H 102 8.719 9.395 -0.676 1 1 1027 . 3 1 1 A 102 102 VAL HA H 102 4.578 4.554 0.024 1 1 1035 . 3 1 1 A 102 102 VAL C C 102 175.380 174.602 0.778 1 1 1036 . 3 1 1 A 102 102 VAL CA C 102 60.370 60.809 -0.439 1 1 1037 . 3 1 1 A 102 102 VAL CB C 102 36.060 34.208 1.852 1 1 1038 . 3 1 1 A 102 102 VAL N N 102 125.900 128.109 -2.209 1 1 1039 . 3 1 1 A 103 103 ASP H H 103 8.626 8.897 -0.271 1 1 1040 . 3 1 1 A 103 103 ASP HA H 103 4.856 4.672 0.184 1 1 1043 . 3 1 1 A 103 103 ASP C C 103 177.300 177.095 0.205 1 1 1044 . 3 1 1 A 103 103 ASP CA C 103 54.580 54.616 -0.036 1 1 1045 . 3 1 1 A 103 103 ASP CB C 103 44.210 41.283 2.927 1 1 1046 . 3 1 1 A 103 103 ASP N N 103 127.250 127.566 -0.316 1 1 1047 . 3 1 1 A 104 104 VAL H H 104 7.890 8.721 -0.831 1 1 1048 . 3 1 1 A 104 104 VAL HA H 104 4.527 4.445 0.082 1 1 1056 . 3 1 1 A 104 104 VAL C C 104 174.490 176.478 -1.988 1 1 1057 . 3 1 1 A 104 104 VAL CA C 104 60.630 61.843 -1.213 1 1 1058 . 3 1 1 A 104 104 VAL CB C 104 29.350 33.162 -3.812 1 1 1059 . 3 1 1 A 104 104 VAL N N 104 119.270 119.008 0.262 1 1 1060 . 3 1 1 A 105 105 GLY H H 105 8.690 8.219 0.471 1 1 1061 . 3 1 1 A 105 105 GLY HA2 H 105 4.270 4.148 0.122 1 1 1062 . 3 1 1 A 105 105 GLY HA3 H 105 3.685 4.152 -0.467 1 1 1063 . 3 1 1 A 105 105 GLY C C 105 175.490 174.771 0.719 1 1 1064 . 3 1 1 A 105 105 GLY CA C 105 45.650 46.096 -0.446 1 1 1065 . 3 1 1 A 105 105 GLY N N 105 111.790 109.846 1.944 1 1 1066 . 3 1 1 A 106 106 SER H H 106 9.218 8.386 0.832 1 1 1067 . 3 1 1 A 106 106 SER HA H 106 3.894 4.280 -0.386 1 1 1070 . 3 1 1 A 106 106 SER C C 106 174.590 174.815 -0.225 1 1 1071 . 3 1 1 A 106 106 SER CA C 106 58.600 59.766 -1.166 1 1 1072 . 3 1 1 A 106 106 SER CB C 106 61.250 62.811 -1.561 1 1 1073 . 3 1 1 A 106 106 SER N N 106 121.540 117.858 3.682 1 1 1074 . 3 1 1 A 107 107 LEU H H 107 8.018 7.647 0.371 1 1 1075 . 3 1 1 A 107 107 LEU HA H 107 4.240 4.026 0.214 1 1 1085 . 3 1 1 A 107 107 LEU C C 107 179.420 178.583 0.837 1 1 1086 . 3 1 1 A 107 107 LEU CA C 107 57.590 56.837 0.753 1 1 1087 . 3 1 1 A 107 107 LEU CB C 107 42.360 41.664 0.696 1 1 1088 . 3 1 1 A 107 107 LEU N N 107 121.520 121.063 0.457 1 1 1089 . 3 1 1 A 108 108 ASN H H 108 8.799 7.652 1.147 1 1 1090 . 3 1 1 A 108 108 ASN HA H 108 4.986 4.568 0.418 1 1 1093 . 3 1 1 A 108 108 ASN C C 108 175.950 175.876 0.074 1 1 1094 . 3 1 1 A 108 108 ASN CA C 108 54.440 53.022 1.418 1 1 1095 . 3 1 1 A 108 108 ASN CB C 108 41.180 39.213 1.967 1 1 1096 . 3 1 1 A 108 108 ASN N N 108 111.800 115.345 -3.545 1 1 1097 . 3 1 1 A 109 109 GLY H H 109 8.025 7.702 0.323 1 1 1098 . 3 1 1 A 109 109 GLY HA2 H 109 4.237 3.581 0.656 1 1 1099 . 3 1 1 A 109 109 GLY HA3 H 109 3.621 3.712 -0.091 1 1 1100 . 3 1 1 A 109 109 GLY C C 109 173.820 174.424 -0.604 1 1 1101 . 3 1 1 A 109 109 GLY CA C 109 44.340 46.577 -2.237 1 1 1102 . 3 1 1 A 109 109 GLY N N 109 110.600 108.739 1.861 1 1 1103 . 3 1 1 A 110 110 THR H H 110 8.770 8.076 0.694 1 1 1104 . 3 1 1 A 110 110 THR HA H 110 4.797 4.031 0.766 1 1 1109 . 3 1 1 A 110 110 THR C C 110 172.570 173.574 -1.004 1 1 1110 . 3 1 1 A 110 110 THR CA C 110 64.540 63.250 1.290 1 1 1111 . 3 1 1 A 110 110 THR CB C 110 70.230 68.844 1.386 1 1 1112 . 3 1 1 A 110 110 THR N N 110 121.240 114.335 6.905 1 1 1113 . 3 1 1 A 111 111 TYR H H 111 8.272 8.892 -0.620 1 1 1114 . 3 1 1 A 111 111 TYR HA H 111 5.155 5.459 -0.304 1 1 1121 . 3 1 1 A 111 111 TYR C C 111 175.860 174.538 1.322 1 1 1122 . 3 1 1 A 111 111 TYR CA C 111 55.820 56.811 -0.991 1 1 1123 . 3 1 1 A 111 111 TYR CB C 111 41.100 40.333 0.767 1 1 1124 . 3 1 1 A 111 111 TYR N N 111 123.680 126.910 -3.230 1 1 1125 . 3 1 1 A 112 112 VAL H H 112 9.017 9.274 -0.257 1 1 1126 . 3 1 1 A 112 112 VAL HA H 112 4.951 4.705 0.246 1 1 1134 . 3 1 1 A 112 112 VAL C C 112 176.780 176.412 0.368 1 1 1135 . 3 1 1 A 112 112 VAL CA C 112 61.130 61.125 0.005 1 1 1136 . 3 1 1 A 112 112 VAL CB C 112 32.870 33.342 -0.472 1 1 1137 . 3 1 1 A 112 112 VAL N N 112 121.300 123.761 -2.461 1 1 1138 . 3 1 1 A 113 113 ASN H H 113 10.285 9.514 0.771 1 1 1139 . 3 1 1 A 113 113 ASN HA H 113 4.483 4.287 0.196 1 1 1144 . 3 1 1 A 113 113 ASN C C 113 174.590 174.242 0.348 1 1 1145 . 3 1 1 A 113 113 ASN CA C 113 55.160 54.509 0.651 1 1 1146 . 3 1 1 A 113 113 ASN CB C 113 37.240 37.062 0.178 1 1 1147 . 3 1 1 A 113 113 ASN N N 113 129.510 126.598 2.912 1 1 1149 . 3 1 1 A 114 114 ARG H H 114 9.459 8.533 0.926 1 1 1150 . 3 1 1 A 114 114 ARG HA H 114 3.659 3.764 -0.105 1 1 1158 . 3 1 1 A 114 114 ARG C C 114 174.900 174.729 0.171 1 1 1159 . 3 1 1 A 114 114 ARG CA C 114 58.280 57.811 0.469 1 1 1160 . 3 1 1 A 114 114 ARG CB C 114 27.250 27.682 -0.432 1 1 1161 . 3 1 1 A 114 114 ARG N N 114 106.570 110.604 -4.034 1 1 1163 . 3 1 1 A 115 115 GLU H H 115 7.827 7.846 -0.019 1 1 1164 . 3 1 1 A 115 115 GLU HA H 115 5.153 4.849 0.304 1 1 1169 . 3 1 1 A 115 115 GLU C C 115 173.950 174.203 -0.253 1 1 1170 . 3 1 1 A 115 115 GLU CA C 115 52.990 52.914 0.076 1 1 1171 . 3 1 1 A 115 115 GLU N N 115 119.780 118.609 1.171 1 1 1172 . 3 1 1 A 116 116 PRO HA H 116 3.983 5.198 -1.215 1 1 1177 . 3 1 1 A 116 116 PRO C C 116 177.780 175.855 1.925 1 1 1178 . 3 1 1 A 116 116 PRO CA C 116 62.910 62.987 -0.077 1 1 1179 . 3 1 1 A 116 116 PRO CB C 116 31.200 32.395 -1.195 1 1 1180 . 3 1 1 A 117 117 ARG H H 117 8.414 8.268 0.146 1 1 1181 . 3 1 1 A 117 117 ARG HA H 117 4.699 4.712 -0.013 1 1 1189 . 3 1 1 A 117 117 ARG C C 117 175.260 175.508 -0.248 1 1 1190 . 3 1 1 A 117 117 ARG CA C 117 52.990 54.432 -1.442 1 1 1191 . 3 1 1 A 117 117 ARG CB C 117 24.560 33.447 -8.887 1 1 1192 . 3 1 1 A 117 117 ARG N N 117 121.900 122.156 -0.256 1 1 1194 . 3 1 1 A 118 118 ASN H H 118 8.741 8.942 -0.201 1 1 1195 . 3 1 1 A 118 118 ASN HA H 118 4.731 4.974 -0.243 1 1 1200 . 3 1 1 A 118 118 ASN C C 118 175.220 175.373 -0.153 1 1 1201 . 3 1 1 A 118 118 ASN CA C 118 55.090 54.082 1.008 1 1 1202 . 3 1 1 A 118 118 ASN CB C 118 38.920 40.298 -1.378 1 1 1203 . 3 1 1 A 118 118 ASN N N 118 120.190 119.050 1.140 1 1 1205 . 3 1 1 A 119 119 ALA H H 119 7.372 7.506 -0.134 1 1 1206 . 3 1 1 A 119 119 ALA HA H 119 5.319 4.932 0.387 1 1 1210 . 3 1 1 A 119 119 ALA C C 119 176.720 175.209 1.511 1 1 1211 . 3 1 1 A 119 119 ALA CA C 119 52.120 51.652 0.468 1 1 1212 . 3 1 1 A 119 119 ALA CB C 119 21.460 21.875 -0.415 1 1 1213 . 3 1 1 A 119 119 ALA N N 119 120.380 116.978 3.402 1 1 1214 . 3 1 1 A 120 120 GLN H H 120 8.787 8.925 -0.138 1 1 1215 . 3 1 1 A 120 120 GLN HA H 120 4.505 4.607 -0.102 1 1 1222 . 3 1 1 A 120 120 GLN C C 120 174.380 173.665 0.715 1 1 1223 . 3 1 1 A 120 120 GLN CA C 120 56.030 55.011 1.019 1 1 1224 . 3 1 1 A 120 120 GLN CB C 120 32.790 33.020 -0.230 1 1 1225 . 3 1 1 A 120 120 GLN N N 120 121.180 122.040 -0.860 1 1 1227 . 3 1 1 A 121 121 VAL H H 121 8.692 8.748 -0.056 1 1 1228 . 3 1 1 A 121 121 VAL HA H 121 4.258 4.292 -0.034 1 1 1236 . 3 1 1 A 121 121 VAL C C 121 176.510 174.886 1.624 1 1 1237 . 3 1 1 A 121 121 VAL CA C 121 64.140 61.984 2.156 1 1 1238 . 3 1 1 A 121 121 VAL CB C 121 31.700 32.419 -0.719 1 1 1239 . 3 1 1 A 121 121 VAL N N 121 129.930 126.456 3.474 1 1 1240 . 3 1 1 A 122 122 MET H H 122 8.924 9.436 -0.512 1 1 1241 . 3 1 1 A 122 122 MET HA H 122 4.419 4.703 -0.284 1 1 1249 . 3 1 1 A 122 122 MET C C 122 174.380 175.519 -1.139 1 1 1250 . 3 1 1 A 122 122 MET CA C 122 55.740 54.220 1.520 1 1 1251 . 3 1 1 A 122 122 MET CB C 122 35.140 33.747 1.393 1 1 1252 . 3 1 1 A 122 122 MET N N 122 129.560 127.483 2.077 1 1 1253 . 3 1 1 A 123 123 GLN H H 123 9.002 8.622 0.380 1 1 1254 . 3 1 1 A 123 123 GLN HA H 123 4.823 5.016 -0.193 1 1 1261 . 3 1 1 A 123 123 GLN C C 123 175.530 175.320 0.210 1 1 1262 . 3 1 1 A 123 123 GLN CA C 123 53.570 54.832 -1.262 1 1 1263 . 3 1 1 A 123 123 GLN CB C 123 32.290 30.868 1.422 1 1 1264 . 3 1 1 A 123 123 GLN N N 123 119.810 123.961 -4.151 1 1 1266 . 3 1 1 A 124 124 THR H H 124 9.036 8.657 0.379 1 1 1267 . 3 1 1 A 124 124 THR HA H 124 4.208 4.322 -0.114 1 1 1272 . 3 1 1 A 124 124 THR C C 124 175.300 175.763 -0.463 1 1 1273 . 3 1 1 A 124 124 THR CA C 124 65.510 63.959 1.551 1 1 1274 . 3 1 1 A 124 124 THR CB C 124 69.560 68.820 0.740 1 1 1275 . 3 1 1 A 124 124 THR N N 124 119.570 117.838 1.732 1 1 1276 . 3 1 1 A 125 125 GLY H H 125 9.921 9.596 0.325 1 1 1277 . 3 1 1 A 125 125 GLY HA2 H 125 4.552 4.039 0.513 1 1 1278 . 3 1 1 A 125 125 GLY HA3 H 125 3.480 4.045 -0.565 1 1 1279 . 3 1 1 A 125 125 GLY C C 125 174.650 173.825 0.825 1 1 1280 . 3 1 1 A 125 125 GLY CA C 125 44.710 44.995 -0.285 1 1 1281 . 3 1 1 A 125 125 GLY N N 125 117.920 117.063 0.857 1 1 1282 . 3 1 1 A 126 126 ASP H H 126 8.638 7.835 0.803 1 1 1283 . 3 1 1 A 126 126 ASP HA H 126 4.876 4.889 -0.013 1 1 1286 . 3 1 1 A 126 126 ASP C C 126 174.650 176.104 -1.454 1 1 1287 . 3 1 1 A 126 126 ASP CA C 126 56.140 53.497 2.643 1 1 1288 . 3 1 1 A 126 126 ASP CB C 126 41.690 42.304 -0.614 1 1 1289 . 3 1 1 A 126 126 ASP N N 126 123.190 121.725 1.465 1 1 1290 . 3 1 1 A 127 127 GLU H H 127 8.316 9.015 -0.699 1 1 1291 . 3 1 1 A 127 127 GLU HA H 127 5.341 5.211 0.130 1 1 1296 . 3 1 1 A 127 127 GLU C C 127 175.990 175.406 0.584 1 1 1297 . 3 1 1 A 127 127 GLU CA C 127 54.440 55.139 -0.699 1 1 1298 . 3 1 1 A 127 127 GLU CB C 127 32.790 32.167 0.623 1 1 1299 . 3 1 1 A 127 127 GLU N N 127 118.480 122.169 -3.689 1 1 1300 . 3 1 1 A 128 128 ILE H H 128 9.910 9.568 0.342 1 1 1301 . 3 1 1 A 128 128 ILE HA H 128 5.334 4.785 0.549 1 1 1311 . 3 1 1 A 128 128 ILE C C 128 174.700 174.874 -0.174 1 1 1312 . 3 1 1 A 128 128 ILE CA C 128 59.470 60.401 -0.931 1 1 1313 . 3 1 1 A 128 128 ILE CB C 128 40.600 40.075 0.525 1 1 1314 . 3 1 1 A 128 128 ILE N N 128 128.810 125.764 3.046 1 1 1315 . 3 1 1 A 129 129 GLN H H 129 9.502 9.431 0.071 1 1 1316 . 3 1 1 A 129 129 GLN HA H 129 5.406 5.096 0.310 1 1 1323 . 3 1 1 A 129 129 GLN C C 129 174.950 174.757 0.193 1 1 1324 . 3 1 1 A 129 129 GLN CA C 129 54.800 55.114 -0.314 1 1 1325 . 3 1 1 A 129 129 GLN CB C 129 30.690 29.871 0.819 1 1 1326 . 3 1 1 A 129 129 GLN N N 129 129.270 127.074 2.196 1 1 1328 . 3 1 1 A 130 130 ILE H H 130 8.498 8.302 0.196 1 1 1329 . 3 1 1 A 130 130 ILE HA H 130 4.116 4.492 -0.376 1 1 1339 . 3 1 1 A 130 130 ILE C C 130 174.860 176.209 -1.349 1 1 1340 . 3 1 1 A 130 130 ILE CA C 130 60.740 59.834 0.906 1 1 1341 . 3 1 1 A 130 130 ILE CB C 130 41.440 39.425 2.015 1 1 1342 . 3 1 1 A 130 130 ILE N N 130 129.070 123.959 5.111 1 1 1343 . 3 1 1 A 131 131 GLY H H 131 9.924 9.165 0.759 1 1 1344 . 3 1 1 A 131 131 GLY HA2 H 131 3.768 3.917 -0.149 1 1 1345 . 3 1 1 A 131 131 GLY HA3 H 131 3.337 4.181 -0.844 1 1 1346 . 3 1 1 A 131 131 GLY C C 131 174.590 174.575 0.015 1 1 1347 . 3 1 1 A 131 131 GLY CA C 131 46.700 47.515 -0.815 1 1 1348 . 3 1 1 A 131 131 GLY N N 131 116.470 116.080 0.390 1 1 1349 . 3 1 1 A 132 132 LYS H H 132 7.141 7.852 -0.711 1 1 1350 . 3 1 1 A 132 132 LYS HA H 132 3.750 4.726 -0.976 1 1 1357 . 3 1 1 A 132 132 LYS C C 132 175.820 175.748 0.072 1 1 1358 . 3 1 1 A 132 132 LYS CA C 132 57.550 55.826 1.724 1 1 1359 . 3 1 1 A 132 132 LYS CB C 132 33.300 33.516 -0.216 1 1 1360 . 3 1 1 A 132 132 LYS N N 132 122.960 121.857 1.103 1 1 1361 . 3 1 1 A 133 133 PHE H H 133 8.360 7.192 1.168 1 1 1362 . 3 1 1 A 133 133 PHE HA H 133 4.601 5.409 -0.808 1 1 1370 . 3 1 1 A 133 133 PHE C C 133 174.910 173.044 1.866 1 1 1371 . 3 1 1 A 133 133 PHE CA C 133 58.600 55.498 3.102 1 1 1372 . 3 1 1 A 133 133 PHE CB C 133 40.510 42.328 -1.818 1 1 1373 . 3 1 1 A 133 133 PHE N N 133 118.170 116.528 1.642 1 1 1374 . 3 1 1 A 134 134 ARG H H 134 8.698 8.479 0.219 1 1 1375 . 3 1 1 A 134 134 ARG HA H 134 5.212 5.314 -0.102 1 1 1383 . 3 1 1 A 134 134 ARG C C 134 175.150 175.062 0.088 1 1 1384 . 3 1 1 A 134 134 ARG CA C 134 55.060 54.734 0.326 1 1 1385 . 3 1 1 A 134 134 ARG CB C 134 33.550 33.547 0.003 1 1 1386 . 3 1 1 A 134 134 ARG N N 134 120.770 119.126 1.644 1 1 1388 . 3 1 1 A 135 135 LEU H H 135 9.904 9.471 0.433 1 1 1389 . 3 1 1 A 135 135 LEU HA H 135 5.544 5.576 -0.032 1 1 1399 . 3 1 1 A 135 135 LEU C C 135 175.260 175.572 -0.312 1 1 1400 . 3 1 1 A 135 135 LEU CA C 135 53.930 53.576 0.354 1 1 1401 . 3 1 1 A 135 135 LEU CB C 135 45.550 44.722 0.828 1 1 1402 . 3 1 1 A 135 135 LEU N N 135 127.130 124.226 2.904 1 1 1403 . 3 1 1 A 136 136 VAL H H 136 9.350 9.473 -0.123 1 1 1404 . 3 1 1 A 136 136 VAL HA H 136 5.226 4.751 0.475 1 1 1412 . 3 1 1 A 136 136 VAL C C 136 174.050 174.422 -0.372 1 1 1413 . 3 1 1 A 136 136 VAL CA C 136 60.520 60.926 -0.406 1 1 1414 . 3 1 1 A 136 136 VAL CB C 136 34.890 33.492 1.398 1 1 1415 . 3 1 1 A 136 136 VAL N N 136 121.300 122.589 -1.289 1 1 1416 . 3 1 1 A 137 137 PHE H H 137 8.492 9.202 -0.710 1 1 1417 . 3 1 1 A 137 137 PHE HA H 137 5.007 4.919 0.088 1 1 1424 . 3 1 1 A 137 137 PHE C C 137 173.340 174.324 -0.984 1 1 1425 . 3 1 1 A 137 137 PHE CA C 137 57.010 56.523 0.487 1 1 1426 . 3 1 1 A 137 137 PHE CB C 137 41.770 39.985 1.785 1 1 1427 . 3 1 1 A 137 137 PHE N N 137 127.550 128.634 -1.084 1 1 1428 . 3 1 1 A 138 138 LEU H H 138 8.535 8.981 -0.446 1 1 1429 . 3 1 1 A 138 138 LEU HA H 138 4.345 4.941 -0.596 1 1 1439 . 3 1 1 A 138 138 LEU C C 138 173.390 174.092 -0.702 1 1 1440 . 3 1 1 A 138 138 LEU CA C 138 53.680 53.748 -0.068 1 1 1441 . 3 1 1 A 138 138 LEU CB C 138 45.210 46.235 -1.025 1 1 1442 . 3 1 1 A 138 138 LEU N N 138 128.590 128.797 -0.207 1 1 1443 . 3 1 1 A 139 139 ALA H H 139 7.502 8.688 -1.186 1 1 1444 . 3 1 1 A 139 139 ALA HA H 139 3.952 4.469 -0.517 1 1 1448 . 3 1 1 A 139 139 ALA C C 139 178.010 177.866 0.144 1 1 1449 . 3 1 1 A 139 139 ALA CA C 139 51.650 52.245 -0.595 1 1 1450 . 3 1 1 A 139 139 ALA CB C 139 20.700 19.422 1.278 1 1 1451 . 3 1 1 A 139 139 ALA N N 139 123.250 128.849 -5.599 1 1 1452 . 3 1 1 A 140 140 GLY H H 140 7.968 8.414 -0.446 1 1 1453 . 3 1 1 A 140 140 GLY HA2 H 140 4.202 4.075 0.127 1 1 1454 . 3 1 1 A 140 140 GLY HA3 H 140 3.595 4.083 -0.488 1 1 1455 . 3 1 1 A 140 140 GLY C C 140 171.240 174.507 -3.267 1 1 1456 . 3 1 1 A 140 140 GLY CA C 140 44.710 45.658 -0.948 1 1 1457 . 3 1 1 A 140 140 GLY N N 140 108.040 110.838 -2.798 1 1 1458 . 3 1 1 A 141 141 PRO HA H 141 4.460 4.555 -0.095 1 1 1463 . 3 1 1 A 141 141 PRO C C 141 176.150 176.224 -0.074 1 1 1464 . 3 1 1 A 141 141 PRO CA C 141 63.230 62.659 0.571 1 1 1465 . 3 1 1 A 141 141 PRO CB C 141 32.370 32.980 -0.610 1 1 1466 . 3 1 1 A 142 142 ALA H H 142 8.496 8.452 0.044 1 1 1467 . 3 1 1 A 142 142 ALA HA H 142 4.363 4.401 -0.038 1 1 1471 . 3 1 1 A 142 142 ALA C C 142 177.320 177.151 0.169 1 1 1472 . 3 1 1 A 142 142 ALA CA C 142 52.740 51.883 0.857 1 1 1473 . 3 1 1 A 142 142 ALA CB C 142 19.780 17.867 1.913 1 1 1474 . 3 1 1 A 142 142 ALA N N 142 124.080 123.467 0.613 1 1 4 . 4 1 1 A 2 2 SER H H 2 8.404 8.886 -0.482 1 1 5 . 4 1 1 A 2 2 SER HA H 2 4.430 4.186 0.244 1 1 8 . 4 1 1 A 2 2 SER C C 2 174.220 173.439 0.781 1 1 9 . 4 1 1 A 2 2 SER CA C 2 58.650 59.392 -0.742 1 1 10 . 4 1 1 A 2 2 SER CB C 2 64.280 61.125 3.155 1 1 11 . 4 1 1 A 2 2 SER N N 2 116.880 118.387 -1.507 1 1 12 . 4 1 1 A 3 3 ASP H H 3 8.314 7.978 0.336 1 1 13 . 4 1 1 A 3 3 ASP HA H 3 4.594 5.054 -0.460 1 1 16 . 4 1 1 A 3 3 ASP C C 3 176.070 174.355 1.715 1 1 17 . 4 1 1 A 3 3 ASP CA C 3 54.580 52.786 1.794 1 1 18 . 4 1 1 A 3 3 ASP CB C 3 41.530 42.352 -0.822 1 1 19 . 4 1 1 A 3 3 ASP N N 3 122.210 121.047 1.163 1 1 20 . 4 1 1 A 4 4 ASN H H 4 8.326 8.946 -0.620 1 1 21 . 4 1 1 A 4 4 ASN HA H 4 4.748 5.229 -0.481 1 1 24 . 4 1 1 A 4 4 ASN C C 4 175.130 174.819 0.311 1 1 25 . 4 1 1 A 4 4 ASN CA C 4 53.430 52.476 0.954 1 1 26 . 4 1 1 A 4 4 ASN CB C 4 38.920 40.656 -1.736 1 1 27 . 4 1 1 A 4 4 ASN N N 4 118.670 124.389 -5.719 1 1 28 . 4 1 1 A 5 5 ASN H H 5 8.467 8.520 -0.053 1 1 29 . 4 1 1 A 5 5 ASN HA H 5 4.702 4.769 -0.067 1 1 32 . 4 1 1 A 5 5 ASN C C 5 175.700 176.225 -0.525 1 1 33 . 4 1 1 A 5 5 ASN CA C 5 53.610 53.618 -0.008 1 1 34 . 4 1 1 A 5 5 ASN CB C 5 39.090 39.176 -0.086 1 1 35 . 4 1 1 A 5 5 ASN N N 5 119.070 123.851 -4.781 1 1 36 . 4 1 1 A 6 6 GLY H H 6 8.333 8.658 -0.325 1 1 37 . 4 1 1 A 6 6 GLY HA2 H 6 3.960 4.063 -0.103 1 1 38 . 4 1 1 A 6 6 GLY HA3 H 6 3.960 4.063 -0.103 1 1 39 . 4 1 1 A 6 6 GLY C C 6 174.050 173.079 0.971 1 1 40 . 4 1 1 A 6 6 GLY CA C 6 45.390 44.915 0.475 1 1 41 . 4 1 1 A 6 6 GLY N N 6 109.000 110.237 -1.237 1 1 42 . 4 1 1 A 7 7 THR H H 7 8.076 8.511 -0.435 1 1 43 . 4 1 1 A 7 7 THR HA H 7 4.591 4.622 -0.031 1 1 48 . 4 1 1 A 7 7 THR C C 7 172.840 173.185 -0.345 1 1 49 . 4 1 1 A 7 7 THR CA C 7 60.050 60.071 -0.021 1 1 50 . 4 1 1 A 7 7 THR N N 7 116.910 114.542 2.368 1 1 51 . 4 1 1 A 8 8 PRO HA H 8 4.414 4.804 -0.390 1 1 54 . 4 1 1 A 8 8 PRO C C 8 176.690 176.079 0.611 1 1 55 . 4 1 1 A 8 8 PRO CA C 8 63.090 62.453 0.637 1 1 56 . 4 1 1 A 8 8 PRO CB C 8 32.290 32.314 -0.024 1 1 57 . 4 1 1 A 9 9 GLU H H 9 8.467 8.564 -0.097 1 1 58 . 4 1 1 A 9 9 GLU HA H 9 4.527 4.854 -0.327 1 1 63 . 4 1 1 A 9 9 GLU C C 9 174.680 174.708 -0.028 1 1 64 . 4 1 1 A 9 9 GLU CA C 9 54.550 52.525 2.025 1 1 65 . 4 1 1 A 9 9 GLU N N 9 122.910 121.479 1.431 1 1 66 . 4 1 1 A 10 10 PRO HA H 10 4.371 4.771 -0.400 1 1 71 . 4 1 1 A 10 10 PRO C C 10 176.820 175.459 1.361 1 1 72 . 4 1 1 A 10 10 PRO CA C 10 63.300 62.615 0.685 1 1 73 . 4 1 1 A 10 10 PRO CB C 10 32.290 32.653 -0.363 1 1 74 . 4 1 1 A 11 11 GLN H H 11 8.543 8.256 0.287 1 1 75 . 4 1 1 A 11 11 GLN HA H 11 4.334 5.028 -0.694 1 1 82 . 4 1 1 A 11 11 GLN C C 11 176.010 174.824 1.186 1 1 83 . 4 1 1 A 11 11 GLN CA C 11 55.710 54.299 1.411 1 1 84 . 4 1 1 A 11 11 GLN CB C 11 29.520 31.778 -2.258 1 1 85 . 4 1 1 A 11 11 GLN N N 11 121.100 120.106 0.994 1 1 87 . 4 1 1 A 12 12 VAL H H 12 8.201 8.813 -0.612 1 1 88 . 4 1 1 A 12 12 VAL HA H 12 4.144 4.871 -0.727 1 1 96 . 4 1 1 A 12 12 VAL C C 12 175.940 174.697 1.243 1 1 97 . 4 1 1 A 12 12 VAL CA C 12 62.110 61.147 0.963 1 1 98 . 4 1 1 A 12 12 VAL CB C 12 32.800 34.698 -1.898 1 1 99 . 4 1 1 A 12 12 VAL N N 12 122.070 122.709 -0.639 1 1 100 . 4 1 1 A 13 13 GLU H H 13 8.593 8.807 -0.214 1 1 101 . 4 1 1 A 13 13 GLU HA H 13 4.329 4.815 -0.486 1 1 106 . 4 1 1 A 13 13 GLU C C 13 176.720 176.018 0.702 1 1 107 . 4 1 1 A 13 13 GLU CA C 13 56.830 54.223 2.607 1 1 108 . 4 1 1 A 13 13 GLU CB C 13 30.860 33.350 -2.490 1 1 109 . 4 1 1 A 13 13 GLU N N 13 124.660 125.734 -1.074 1 1 138 . 4 1 1 A 17 17 VAL H H 17 8.458 8.636 -0.178 1 1 139 . 4 1 1 A 17 17 VAL HA H 17 4.183 4.471 -0.288 1 1 147 . 4 1 1 A 17 17 VAL C C 17 175.950 175.740 0.210 1 1 148 . 4 1 1 A 17 17 VAL CA C 17 63.780 62.524 1.256 1 1 149 . 4 1 1 A 17 17 VAL CB C 17 32.460 31.418 1.042 1 1 150 . 4 1 1 A 17 17 VAL N N 17 124.860 124.721 0.139 1 1 151 . 4 1 1 A 18 18 PHE H H 18 8.579 9.286 -0.707 1 1 152 . 4 1 1 A 18 18 PHE HA H 18 4.650 5.718 -1.068 1 1 160 . 4 1 1 A 18 18 PHE C C 18 173.450 174.069 -0.619 1 1 161 . 4 1 1 A 18 18 PHE CA C 18 57.480 55.136 2.344 1 1 162 . 4 1 1 A 18 18 PHE CB C 18 41.950 42.192 -0.242 1 1 163 . 4 1 1 A 18 18 PHE N N 18 127.160 124.026 3.134 1 1 164 . 4 1 1 A 19 19 ARG H H 19 7.920 8.626 -0.706 1 1 165 . 4 1 1 A 19 19 ARG HA H 19 4.196 4.337 -0.141 1 1 170 . 4 1 1 A 19 19 ARG C C 19 174.930 175.903 -0.973 1 1 171 . 4 1 1 A 19 19 ARG CA C 19 54.800 55.419 -0.619 1 1 172 . 4 1 1 A 19 19 ARG CB C 19 30.610 29.580 1.030 1 1 173 . 4 1 1 A 19 19 ARG N N 19 127.500 121.658 5.842 1 1 174 . 4 1 1 A 20 20 ALA H H 20 8.067 7.883 0.184 1 1 175 . 4 1 1 A 20 20 ALA HA H 20 3.729 4.545 -0.816 1 1 179 . 4 1 1 A 20 20 ALA C C 20 177.630 177.652 -0.022 1 1 180 . 4 1 1 A 20 20 ALA CA C 20 53.280 50.761 2.519 1 1 181 . 4 1 1 A 20 20 ALA CB C 20 18.860 19.789 -0.929 1 1 182 . 4 1 1 A 20 20 ALA N N 20 126.460 127.456 -0.996 1 1 183 . 4 1 1 A 21 21 ASP H H 21 8.355 8.620 -0.265 1 1 184 . 4 1 1 A 21 21 ASP HA H 21 4.350 4.809 -0.459 1 1 187 . 4 1 1 A 21 21 ASP C C 21 176.720 176.657 0.063 1 1 188 . 4 1 1 A 21 21 ASP CA C 21 54.480 54.260 0.220 1 1 189 . 4 1 1 A 21 21 ASP CB C 21 40.350 41.319 -0.969 1 1 190 . 4 1 1 A 21 21 ASP N N 21 117.850 115.910 1.940 1 1 191 . 4 1 1 A 22 22 LEU H H 22 7.705 7.786 -0.081 1 1 192 . 4 1 1 A 22 22 LEU HA H 22 4.088 3.939 0.149 1 1 202 . 4 1 1 A 22 22 LEU C C 22 177.760 178.744 -0.984 1 1 203 . 4 1 1 A 22 22 LEU CA C 22 55.780 58.161 -2.381 1 1 204 . 4 1 1 A 22 22 LEU CB C 22 41.860 41.130 0.730 1 1 205 . 4 1 1 A 22 22 LEU N N 22 121.600 119.080 2.520 1 1 206 . 4 1 1 A 23 23 LEU H H 23 7.717 8.170 -0.453 1 1 207 . 4 1 1 A 23 23 LEU HA H 23 4.166 4.496 -0.330 1 1 217 . 4 1 1 A 23 23 LEU C C 23 177.840 178.448 -0.608 1 1 218 . 4 1 1 A 23 23 LEU CA C 23 55.960 58.047 -2.087 1 1 219 . 4 1 1 A 23 23 LEU CB C 23 41.950 41.611 0.339 1 1 220 . 4 1 1 A 23 23 LEU N N 23 120.360 121.795 -1.435 1 1 221 . 4 1 1 A 24 24 LYS H H 24 7.933 8.057 -0.124 1 1 222 . 4 1 1 A 24 24 LYS HA H 24 4.174 3.921 0.253 1 1 229 . 4 1 1 A 24 24 LYS C C 24 177.190 178.139 -0.949 1 1 230 . 4 1 1 A 24 24 LYS CA C 24 57.050 59.101 -2.051 1 1 231 . 4 1 1 A 24 24 LYS CB C 24 32.880 31.908 0.972 1 1 232 . 4 1 1 A 24 24 LYS N N 24 121.120 118.974 2.146 1 1 233 . 4 1 1 A 25 25 GLU H H 25 8.160 8.486 -0.326 1 1 234 . 4 1 1 A 25 25 GLU HA H 25 4.199 4.077 0.122 1 1 239 . 4 1 1 A 25 25 GLU C C 25 176.900 178.955 -2.055 1 1 240 . 4 1 1 A 25 25 GLU CA C 25 57.010 59.588 -2.578 1 1 241 . 4 1 1 A 25 25 GLU CB C 25 30.280 28.900 1.380 1 1 242 . 4 1 1 A 25 25 GLU N N 25 121.550 119.154 2.396 1 1 243 . 4 1 1 A 26 26 MET H H 26 8.270 8.282 -0.012 1 1 244 . 4 1 1 A 26 26 MET HA H 26 4.360 4.342 0.018 1 1 252 . 4 1 1 A 26 26 MET C C 26 176.440 178.061 -1.621 1 1 253 . 4 1 1 A 26 26 MET CA C 26 56.180 58.591 -2.411 1 1 254 . 4 1 1 A 26 26 MET CB C 26 33.050 33.157 -0.107 1 1 255 . 4 1 1 A 26 26 MET N N 26 120.730 119.206 1.524 1 1 256 . 4 1 1 A 27 27 GLU H H 27 8.297 7.742 0.555 1 1 257 . 4 1 1 A 27 27 GLU HA H 27 4.264 4.111 0.153 1 1 262 . 4 1 1 A 27 27 GLU C C 27 176.650 179.198 -2.548 1 1 263 . 4 1 1 A 27 27 GLU CA C 27 56.830 59.129 -2.299 1 1 264 . 4 1 1 A 27 27 GLU CB C 27 30.530 29.674 0.856 1 1 265 . 4 1 1 A 27 27 GLU N N 27 121.650 121.365 0.285 1 1 266 . 4 1 1 A 28 28 SER H H 28 8.279 8.506 -0.227 1 1 267 . 4 1 1 A 28 28 SER HA H 28 4.473 4.190 0.283 1 1 270 . 4 1 1 A 28 28 SER C C 28 174.760 176.115 -1.355 1 1 271 . 4 1 1 A 28 28 SER CA C 28 58.460 61.570 -3.110 1 1 272 . 4 1 1 A 28 28 SER CB C 28 64.190 63.138 1.052 1 1 273 . 4 1 1 A 28 28 SER N N 28 116.610 117.641 -1.031 1 1 274 . 4 1 1 A 29 29 SER H H 29 8.443 7.801 0.642 1 1 275 . 4 1 1 A 29 29 SER HA H 29 4.541 4.365 0.176 1 1 278 . 4 1 1 A 29 29 SER C C 29 174.950 174.801 0.149 1 1 279 . 4 1 1 A 29 29 SER CA C 29 58.530 59.279 -0.749 1 1 280 . 4 1 1 A 29 29 SER CB C 29 64.190 63.286 0.904 1 1 281 . 4 1 1 A 29 29 SER N N 29 118.290 114.470 3.820 1 1 282 . 4 1 1 A 30 30 THR H H 30 8.220 7.364 0.856 1 1 283 . 4 1 1 A 30 30 THR HA H 30 4.372 4.219 0.153 1 1 288 . 4 1 1 A 30 30 THR C C 30 175.280 174.771 0.509 1 1 289 . 4 1 1 A 30 30 THR CA C 30 62.260 63.455 -1.195 1 1 290 . 4 1 1 A 30 30 THR CB C 30 69.900 68.419 1.481 1 1 291 . 4 1 1 A 30 30 THR N N 30 115.600 117.800 -2.200 1 1 292 . 4 1 1 A 31 31 GLY H H 31 8.401 8.475 -0.074 1 1 293 . 4 1 1 A 31 31 GLY HA2 H 31 4.005 4.089 -0.084 1 1 294 . 4 1 1 A 31 31 GLY HA3 H 31 4.005 4.090 -0.085 1 1 295 . 4 1 1 A 31 31 GLY C C 31 174.160 173.321 0.839 1 1 296 . 4 1 1 A 31 31 GLY CA C 31 45.470 46.142 -0.672 1 1 297 . 4 1 1 A 31 31 GLY N N 31 111.270 113.866 -2.596 1 1 298 . 4 1 1 A 32 32 THR H H 32 8.034 8.197 -0.163 1 1 299 . 4 1 1 A 32 32 THR HA H 32 4.319 4.770 -0.451 1 1 304 . 4 1 1 A 32 32 THR C C 32 174.130 172.834 1.296 1 1 305 . 4 1 1 A 32 32 THR CA C 32 61.710 61.504 0.206 1 1 306 . 4 1 1 A 32 32 THR CB C 32 70.150 70.390 -0.240 1 1 307 . 4 1 1 A 32 32 THR N N 32 113.770 112.649 1.121 1 1 308 . 4 1 1 A 33 33 ALA H H 33 8.410 8.795 -0.385 1 1 309 . 4 1 1 A 33 33 ALA HA H 33 4.581 4.741 -0.160 1 1 313 . 4 1 1 A 33 33 ALA C C 33 175.490 176.246 -0.756 1 1 314 . 4 1 1 A 33 33 ALA CA C 33 50.680 48.970 1.710 1 1 315 . 4 1 1 A 33 33 ALA N N 33 128.320 129.398 -1.078 1 1 316 . 4 1 1 A 34 34 PRO HA H 34 4.389 4.526 -0.137 1 1 321 . 4 1 1 A 34 34 PRO C C 34 176.650 175.965 0.685 1 1 322 . 4 1 1 A 34 34 PRO CA C 34 63.090 62.790 0.300 1 1 323 . 4 1 1 A 34 34 PRO CB C 34 32.210 32.316 -0.106 1 1 324 . 4 1 1 A 35 35 ALA H H 35 8.433 8.421 0.012 1 1 325 . 4 1 1 A 35 35 ALA HA H 35 4.275 5.001 -0.726 1 1 329 . 4 1 1 A 35 35 ALA C C 35 177.730 175.587 2.143 1 1 330 . 4 1 1 A 35 35 ALA CA C 35 52.590 50.854 1.736 1 1 331 . 4 1 1 A 35 35 ALA CB C 35 19.450 22.292 -2.842 1 1 332 . 4 1 1 A 35 35 ALA N N 35 124.330 123.487 0.843 1 1 333 . 4 1 1 A 36 36 SER H H 36 8.259 8.755 -0.496 1 1 334 . 4 1 1 A 36 36 SER HA H 36 4.474 5.162 -0.688 1 1 337 . 4 1 1 A 36 36 SER C C 36 174.860 173.350 1.510 1 1 338 . 4 1 1 A 36 36 SER CA C 36 58.130 57.758 0.372 1 1 339 . 4 1 1 A 36 36 SER CB C 36 64.190 65.450 -1.260 1 1 340 . 4 1 1 A 36 36 SER N N 36 114.560 118.114 -3.554 1 1 341 . 4 1 1 A 37 37 THR H H 37 8.325 8.793 -0.468 1 1 342 . 4 1 1 A 37 37 THR HA H 37 4.281 4.821 -0.540 1 1 346 . 4 1 1 A 37 37 THR C C 37 175.110 175.242 -0.132 1 1 347 . 4 1 1 A 37 37 THR CA C 37 62.260 61.004 1.256 1 1 348 . 4 1 1 A 37 37 THR CB C 37 70.150 68.927 1.223 1 1 349 . 4 1 1 A 37 37 THR N N 37 115.300 118.657 -3.357 1 1 350 . 4 1 1 A 38 38 GLY H H 38 8.511 8.376 0.135 1 1 351 . 4 1 1 A 38 38 GLY HA2 H 38 3.975 4.190 -0.215 1 1 352 . 4 1 1 A 38 38 GLY HA3 H 38 3.809 4.198 -0.389 1 1 353 . 4 1 1 A 38 38 GLY C C 38 174.470 174.989 -0.519 1 1 354 . 4 1 1 A 38 38 GLY CA C 38 45.470 45.689 -0.219 1 1 355 . 4 1 1 A 38 38 GLY N N 38 110.440 112.200 -1.760 1 1 356 . 4 1 1 A 39 39 ALA H H 39 8.245 7.920 0.325 1 1 357 . 4 1 1 A 39 39 ALA HA H 39 4.164 4.421 -0.257 1 1 361 . 4 1 1 A 39 39 ALA C C 39 177.590 178.540 -0.950 1 1 362 . 4 1 1 A 39 39 ALA CA C 39 52.560 53.573 -1.013 1 1 363 . 4 1 1 A 39 39 ALA CB C 39 19.360 19.170 0.190 1 1 364 . 4 1 1 A 39 39 ALA N N 39 124.080 122.430 1.650 1 1 365 . 4 1 1 A 40 40 GLU H H 40 8.721 8.227 0.494 1 1 366 . 4 1 1 A 40 40 GLU HA H 40 4.083 4.230 -0.147 1 1 371 . 4 1 1 A 40 40 GLU C C 40 176.320 178.407 -2.087 1 1 372 . 4 1 1 A 40 40 GLU CA C 40 57.910 57.725 0.185 1 1 373 . 4 1 1 A 40 40 GLU CB C 40 29.520 29.887 -0.367 1 1 374 . 4 1 1 A 40 40 GLU N N 40 118.270 115.971 2.299 1 1 375 . 4 1 1 A 41 41 ASN H H 41 8.226 7.898 0.328 1 1 376 . 4 1 1 A 41 41 ASN HA H 41 4.716 4.780 -0.064 1 1 381 . 4 1 1 A 41 41 ASN C C 41 174.800 175.080 -0.280 1 1 382 . 4 1 1 A 41 41 ASN CA C 41 52.880 55.159 -2.279 1 1 383 . 4 1 1 A 41 41 ASN CB C 41 38.840 39.745 -0.905 1 1 384 . 4 1 1 A 41 41 ASN N N 41 117.620 118.999 -1.379 1 1 386 . 4 1 1 A 42 42 LEU H H 42 7.629 7.913 -0.284 1 1 387 . 4 1 1 A 42 42 LEU HA H 42 4.418 4.023 0.395 1 1 397 . 4 1 1 A 42 42 LEU C C 42 174.610 176.965 -2.355 1 1 398 . 4 1 1 A 42 42 LEU CA C 42 53.170 55.533 -2.363 1 1 399 . 4 1 1 A 42 42 LEU N N 42 123.010 118.719 4.291 1 1 400 . 4 1 1 A 43 43 PRO HA H 43 4.366 4.298 0.068 1 1 407 . 4 1 1 A 43 43 PRO C C 43 177.050 177.570 -0.520 1 1 408 . 4 1 1 A 43 43 PRO CA C 43 62.260 66.310 -4.050 1 1 409 . 4 1 1 A 43 43 PRO CB C 43 32.380 31.318 1.062 1 1 410 . 4 1 1 A 44 44 ALA H H 44 8.552 7.662 0.890 1 1 411 . 4 1 1 A 44 44 ALA HA H 44 4.223 4.351 -0.128 1 1 415 . 4 1 1 A 44 44 ALA C C 44 179.500 178.504 0.996 1 1 416 . 4 1 1 A 44 44 ALA CA C 44 53.250 51.744 1.506 1 1 417 . 4 1 1 A 44 44 ALA CB C 44 18.190 19.642 -1.452 1 1 418 . 4 1 1 A 44 44 ALA N N 44 125.070 118.155 6.915 1 1 419 . 4 1 1 A 45 45 GLY H H 45 8.897 9.231 -0.334 1 1 420 . 4 1 1 A 45 45 GLY HA2 H 45 4.214 3.977 0.237 1 1 421 . 4 1 1 A 45 45 GLY HA3 H 45 3.833 4.019 -0.186 1 1 422 . 4 1 1 A 45 45 GLY C C 45 173.720 173.594 0.126 1 1 423 . 4 1 1 A 45 45 GLY CA C 45 45.790 45.523 0.267 1 1 424 . 4 1 1 A 45 45 GLY N N 45 110.600 108.968 1.632 1 1 425 . 4 1 1 A 46 46 SER H H 46 7.690 7.965 -0.275 1 1 426 . 4 1 1 A 46 46 SER HA H 46 5.338 5.331 0.007 1 1 429 . 4 1 1 A 46 46 SER C C 46 172.990 172.995 -0.005 1 1 430 . 4 1 1 A 46 46 SER CA C 46 57.810 57.802 0.008 1 1 431 . 4 1 1 A 46 46 SER CB C 46 66.960 66.285 0.675 1 1 432 . 4 1 1 A 46 46 SER N N 46 114.180 116.884 -2.704 1 1 433 . 4 1 1 A 47 47 ALA H H 47 8.435 8.733 -0.298 1 1 434 . 4 1 1 A 47 47 ALA HA H 47 4.338 4.771 -0.433 1 1 438 . 4 1 1 A 47 47 ALA C C 47 173.840 175.863 -2.023 1 1 439 . 4 1 1 A 47 47 ALA CA C 47 51.690 51.355 0.335 1 1 440 . 4 1 1 A 47 47 ALA CB C 47 24.570 23.197 1.373 1 1 441 . 4 1 1 A 47 47 ALA N N 47 120.900 123.417 -2.517 1 1 442 . 4 1 1 A 48 48 LEU H H 48 8.673 8.449 0.224 1 1 443 . 4 1 1 A 48 48 LEU HA H 48 5.021 5.291 -0.270 1 1 453 . 4 1 1 A 48 48 LEU C C 48 174.680 175.395 -0.715 1 1 454 . 4 1 1 A 48 48 LEU CA C 48 53.350 52.502 0.848 1 1 455 . 4 1 1 A 48 48 LEU CB C 48 48.150 46.172 1.978 1 1 456 . 4 1 1 A 48 48 LEU N N 48 120.170 115.938 4.232 1 1 457 . 4 1 1 A 49 49 LEU H H 49 8.686 9.248 -0.562 1 1 458 . 4 1 1 A 49 49 LEU HA H 49 5.403 5.403 0.000 1 1 468 . 4 1 1 A 49 49 LEU C C 49 176.170 174.943 1.227 1 1 469 . 4 1 1 A 49 49 LEU CA C 49 52.810 53.102 -0.292 1 1 470 . 4 1 1 A 49 49 LEU CB C 49 46.310 44.901 1.409 1 1 471 . 4 1 1 A 49 49 LEU N N 49 120.170 118.283 1.887 1 1 472 . 4 1 1 A 50 50 VAL H H 50 8.874 9.256 -0.382 1 1 473 . 4 1 1 A 50 50 VAL HA H 50 4.971 4.979 -0.008 1 1 481 . 4 1 1 A 50 50 VAL C C 50 176.740 174.006 2.734 1 1 482 . 4 1 1 A 50 50 VAL CA C 50 59.940 59.893 0.047 1 1 483 . 4 1 1 A 50 50 VAL CB C 50 34.970 34.896 0.074 1 1 484 . 4 1 1 A 50 50 VAL N N 50 120.580 121.192 -0.612 1 1 485 . 4 1 1 A 51 51 VAL H H 51 8.984 8.986 -0.002 1 1 486 . 4 1 1 A 51 51 VAL HA H 51 4.155 4.100 0.055 1 1 494 . 4 1 1 A 51 51 VAL C C 51 176.050 176.014 0.036 1 1 495 . 4 1 1 A 51 51 VAL CA C 51 64.280 63.129 1.151 1 1 496 . 4 1 1 A 51 51 VAL CB C 51 31.280 31.320 -0.040 1 1 497 . 4 1 1 A 51 51 VAL N N 51 125.710 128.430 -2.720 1 1 498 . 4 1 1 A 52 52 LYS H H 52 9.444 9.502 -0.058 1 1 499 . 4 1 1 A 52 52 LYS HA H 52 4.450 4.331 0.119 1 1 506 . 4 1 1 A 52 52 LYS C C 52 176.150 175.834 0.316 1 1 507 . 4 1 1 A 52 52 LYS CA C 52 57.050 57.474 -0.424 1 1 508 . 4 1 1 A 52 52 LYS CB C 52 34.470 33.936 0.534 1 1 509 . 4 1 1 A 52 52 LYS N N 52 132.750 129.921 2.829 1 1 510 . 4 1 1 A 53 53 ARG H H 53 8.051 7.578 0.473 1 1 511 . 4 1 1 A 53 53 ARG HA H 53 4.685 4.853 -0.168 1 1 516 . 4 1 1 A 53 53 ARG C C 53 173.470 174.769 -1.299 1 1 517 . 4 1 1 A 53 53 ARG CA C 53 55.090 55.383 -0.293 1 1 518 . 4 1 1 A 53 53 ARG CB C 53 34.300 34.140 0.160 1 1 519 . 4 1 1 A 53 53 ARG N N 53 117.320 118.662 -1.342 1 1 520 . 4 1 1 A 54 54 GLY H H 54 8.377 8.320 0.057 1 1 521 . 4 1 1 A 54 54 GLY HA2 H 54 4.215 3.943 0.272 1 1 522 . 4 1 1 A 54 54 GLY HA3 H 54 3.503 3.990 -0.487 1 1 523 . 4 1 1 A 54 54 GLY C C 54 171.870 174.330 -2.460 1 1 524 . 4 1 1 A 54 54 GLY CA C 54 43.770 44.300 -0.530 1 1 525 . 4 1 1 A 54 54 GLY N N 54 110.960 112.137 -1.177 1 1 526 . 4 1 1 A 55 55 PRO HA H 55 4.255 4.331 -0.076 1 1 531 . 4 1 1 A 55 55 PRO C C 55 175.940 177.645 -1.705 1 1 532 . 4 1 1 A 55 55 PRO CA C 55 64.390 65.317 -0.927 1 1 533 . 4 1 1 A 55 55 PRO CB C 55 31.360 31.779 -0.419 1 1 534 . 4 1 1 A 56 56 ASN H H 56 8.202 8.649 -0.447 1 1 535 . 4 1 1 A 56 56 ASN HA H 56 4.685 4.878 -0.193 1 1 540 . 4 1 1 A 56 56 ASN C C 56 174.410 175.498 -1.088 1 1 541 . 4 1 1 A 56 56 ASN CA C 56 52.120 52.608 -0.488 1 1 542 . 4 1 1 A 56 56 ASN CB C 56 37.070 37.692 -0.622 1 1 543 . 4 1 1 A 56 56 ASN N N 56 114.760 113.597 1.163 1 1 545 . 4 1 1 A 57 57 ALA H H 57 7.283 7.325 -0.042 1 1 546 . 4 1 1 A 57 57 ALA HA H 57 3.618 4.159 -0.541 1 1 550 . 4 1 1 A 57 57 ALA C C 57 178.090 178.367 -0.277 1 1 551 . 4 1 1 A 57 57 ALA CA C 57 54.480 53.660 0.820 1 1 552 . 4 1 1 A 57 57 ALA CB C 57 17.760 18.927 -1.167 1 1 553 . 4 1 1 A 57 57 ALA N N 57 120.380 124.133 -3.753 1 1 554 . 4 1 1 A 58 58 GLY H H 58 9.052 9.299 -0.247 1 1 555 . 4 1 1 A 58 58 GLY HA2 H 58 4.449 3.991 0.458 1 1 556 . 4 1 1 A 58 58 GLY HA3 H 58 3.415 3.997 -0.582 1 1 557 . 4 1 1 A 58 58 GLY C C 58 174.610 174.217 0.393 1 1 558 . 4 1 1 A 58 58 GLY CA C 58 44.530 45.057 -0.527 1 1 559 . 4 1 1 A 58 58 GLY N N 58 112.180 110.589 1.591 1 1 560 . 4 1 1 A 59 59 ALA H H 59 8.171 7.491 0.680 1 1 561 . 4 1 1 A 59 59 ALA HA H 59 4.081 4.256 -0.175 1 1 565 . 4 1 1 A 59 59 ALA C C 59 175.220 177.193 -1.973 1 1 566 . 4 1 1 A 59 59 ALA CA C 59 53.170 51.834 1.336 1 1 567 . 4 1 1 A 59 59 ALA CB C 59 19.360 19.524 -0.164 1 1 568 . 4 1 1 A 59 59 ALA N N 59 124.650 123.969 0.681 1 1 569 . 4 1 1 A 60 60 ARG H H 60 7.751 8.537 -0.786 1 1 570 . 4 1 1 A 60 60 ARG HA H 60 5.105 4.870 0.235 1 1 575 . 4 1 1 A 60 60 ARG C C 60 175.320 174.787 0.533 1 1 576 . 4 1 1 A 60 60 ARG CA C 60 54.150 54.646 -0.496 1 1 577 . 4 1 1 A 60 60 ARG CB C 60 34.130 32.868 1.262 1 1 578 . 4 1 1 A 60 60 ARG N N 60 116.920 120.313 -3.393 1 1 579 . 4 1 1 A 61 61 PHE H H 61 9.213 9.489 -0.276 1 1 580 . 4 1 1 A 61 61 PHE HA H 61 4.788 5.016 -0.228 1 1 587 . 4 1 1 A 61 61 PHE C C 61 173.930 174.870 -0.940 1 1 588 . 4 1 1 A 61 61 PHE CA C 61 56.500 56.608 -0.108 1 1 589 . 4 1 1 A 61 61 PHE CB C 61 41.860 42.020 -0.160 1 1 590 . 4 1 1 A 61 61 PHE N N 61 121.090 120.643 0.447 1 1 591 . 4 1 1 A 62 62 LEU H H 62 8.638 9.104 -0.466 1 1 592 . 4 1 1 A 62 62 LEU HA H 62 4.566 4.853 -0.287 1 1 602 . 4 1 1 A 62 62 LEU C C 62 176.570 176.394 0.176 1 1 603 . 4 1 1 A 62 62 LEU CA C 62 55.130 53.827 1.303 1 1 604 . 4 1 1 A 62 62 LEU CB C 62 43.620 43.871 -0.251 1 1 605 . 4 1 1 A 62 62 LEU N N 62 125.630 124.199 1.431 1 1 606 . 4 1 1 A 63 63 LEU H H 63 8.929 8.853 0.076 1 1 607 . 4 1 1 A 63 63 LEU HA H 63 4.852 4.617 0.235 1 1 617 . 4 1 1 A 63 63 LEU C C 63 175.070 176.498 -1.428 1 1 618 . 4 1 1 A 63 63 LEU CA C 63 53.170 54.861 -1.691 1 1 619 . 4 1 1 A 63 63 LEU CB C 63 42.110 41.333 0.777 1 1 620 . 4 1 1 A 63 63 LEU N N 63 125.980 125.224 0.756 1 1 621 . 4 1 1 A 64 64 ASP H H 64 8.601 9.109 -0.508 1 1 622 . 4 1 1 A 64 64 ASP HA H 64 4.736 4.943 -0.207 1 1 625 . 4 1 1 A 64 64 ASP C C 64 175.130 175.643 -0.513 1 1 626 . 4 1 1 A 64 64 ASP CA C 64 53.640 53.952 -0.312 1 1 627 . 4 1 1 A 64 64 ASP CB C 64 41.020 43.532 -2.512 1 1 628 . 4 1 1 A 64 64 ASP N N 64 120.910 125.820 -4.910 1 1 629 . 4 1 1 A 65 65 GLN H H 65 7.497 7.573 -0.076 1 1 630 . 4 1 1 A 65 65 GLN HA H 65 4.856 4.711 0.145 1 1 637 . 4 1 1 A 65 65 GLN C C 65 173.550 175.411 -1.861 1 1 638 . 4 1 1 A 65 65 GLN CA C 65 52.780 53.601 -0.821 1 1 639 . 4 1 1 A 65 65 GLN N N 65 117.420 115.695 1.725 1 1 641 . 4 1 1 A 66 66 PRO HA H 66 4.190 4.542 -0.352 1 1 648 . 4 1 1 A 66 66 PRO C C 66 177.400 176.662 0.738 1 1 649 . 4 1 1 A 66 66 PRO CA C 66 66.810 64.546 2.264 1 1 650 . 4 1 1 A 66 66 PRO CB C 66 32.370 32.111 0.259 1 1 651 . 4 1 1 A 67 67 THR H H 67 7.647 7.478 0.169 1 1 652 . 4 1 1 A 67 67 THR HA H 67 4.811 5.142 -0.331 1 1 657 . 4 1 1 A 67 67 THR C C 67 173.280 173.304 -0.024 1 1 658 . 4 1 1 A 67 67 THR CA C 67 62.830 61.241 1.589 1 1 659 . 4 1 1 A 67 67 THR CB C 67 71.740 71.597 0.143 1 1 660 . 4 1 1 A 67 67 THR N N 67 109.270 112.419 -3.149 1 1 661 . 4 1 1 A 68 68 THR H H 68 8.919 9.532 -0.613 1 1 662 . 4 1 1 A 68 68 THR HA H 68 4.968 5.076 -0.108 1 1 667 . 4 1 1 A 68 68 THR C C 68 175.090 173.701 1.389 1 1 668 . 4 1 1 A 68 68 THR CA C 68 61.820 62.084 -0.264 1 1 669 . 4 1 1 A 68 68 THR CB C 68 70.730 70.401 0.329 1 1 670 . 4 1 1 A 68 68 THR N N 68 125.610 123.784 1.826 1 1 671 . 4 1 1 A 69 69 THR H H 69 10.398 8.941 1.457 1 1 672 . 4 1 1 A 69 69 THR HA H 69 4.491 4.733 -0.242 1 1 677 . 4 1 1 A 69 69 THR C C 69 173.140 174.031 -0.891 1 1 678 . 4 1 1 A 69 69 THR CA C 69 61.790 61.759 0.031 1 1 679 . 4 1 1 A 69 69 THR CB C 69 70.820 70.369 0.451 1 1 680 . 4 1 1 A 69 69 THR N N 69 121.520 122.723 -1.203 1 1 681 . 4 1 1 A 70 70 ALA H H 70 8.722 8.921 -0.199 1 1 682 . 4 1 1 A 70 70 ALA HA H 70 5.696 5.661 0.035 1 1 686 . 4 1 1 A 70 70 ALA C C 70 175.840 175.984 -0.144 1 1 687 . 4 1 1 A 70 70 ALA CA C 70 50.030 50.414 -0.384 1 1 688 . 4 1 1 A 70 70 ALA CB C 70 22.300 22.425 -0.125 1 1 689 . 4 1 1 A 70 70 ALA N N 70 122.410 127.065 -4.655 1 1 690 . 4 1 1 A 71 71 GLY H H 71 8.430 7.969 0.461 1 1 691 . 4 1 1 A 71 71 GLY HA2 H 71 4.474 4.105 0.369 1 1 692 . 4 1 1 A 71 71 GLY HA3 H 71 3.903 4.208 -0.305 1 1 693 . 4 1 1 A 71 71 GLY C C 71 170.540 172.033 -1.493 1 1 694 . 4 1 1 A 71 71 GLY CA C 71 46.300 45.206 1.094 1 1 695 . 4 1 1 A 71 71 GLY N N 71 108.960 107.842 1.118 1 1 696 . 4 1 1 A 72 72 ARG H H 72 8.341 8.490 -0.149 1 1 697 . 4 1 1 A 72 72 ARG HA H 72 4.481 5.008 -0.527 1 1 702 . 4 1 1 A 72 72 ARG C C 72 175.720 174.704 1.016 1 1 703 . 4 1 1 A 72 72 ARG CA C 72 54.800 54.355 0.445 1 1 704 . 4 1 1 A 72 72 ARG CB C 72 32.540 32.972 -0.432 1 1 705 . 4 1 1 A 72 72 ARG N N 72 120.930 120.288 0.642 1 1 706 . 4 1 1 A 73 73 HIS H H 73 9.295 9.255 0.040 1 1 707 . 4 1 1 A 73 73 HIS HA H 73 4.403 4.925 -0.522 1 1 712 . 4 1 1 A 73 73 HIS C C 73 176.860 174.168 2.692 1 1 713 . 4 1 1 A 73 73 HIS CA C 73 57.050 55.002 2.048 1 1 714 . 4 1 1 A 73 73 HIS N N 73 125.290 118.562 6.728 1 1 715 . 4 1 1 A 74 74 PRO HA H 74 4.373 4.381 -0.008 1 1 722 . 4 1 1 A 74 74 PRO C C 74 177.590 177.553 0.037 1 1 723 . 4 1 1 A 74 74 PRO CA C 74 64.930 64.418 0.512 1 1 724 . 4 1 1 A 74 74 PRO CB C 74 32.030 31.911 0.119 1 1 725 . 4 1 1 A 75 75 GLU H H 75 10.575 8.792 1.783 1 1 726 . 4 1 1 A 75 75 GLU HA H 75 4.352 4.186 0.166 1 1 731 . 4 1 1 A 75 75 GLU C C 75 177.320 176.568 0.752 1 1 732 . 4 1 1 A 75 75 GLU CA C 75 56.070 57.984 -1.914 1 1 733 . 4 1 1 A 75 75 GLU CB C 75 29.010 29.939 -0.929 1 1 734 . 4 1 1 A 75 75 GLU N N 75 119.840 118.265 1.575 1 1 735 . 4 1 1 A 76 76 SER H H 76 8.236 7.966 0.270 1 1 736 . 4 1 1 A 76 76 SER HA H 76 4.100 4.494 -0.394 1 1 739 . 4 1 1 A 76 76 SER C C 76 173.120 174.040 -0.920 1 1 740 . 4 1 1 A 76 76 SER CA C 76 60.160 57.335 2.825 1 1 741 . 4 1 1 A 76 76 SER CB C 76 65.530 63.413 2.117 1 1 742 . 4 1 1 A 76 76 SER N N 76 118.860 114.216 4.644 1 1 743 . 4 1 1 A 77 77 ASP H H 77 8.541 9.010 -0.469 1 1 744 . 4 1 1 A 77 77 ASP HA H 77 4.344 4.442 -0.098 1 1 747 . 4 1 1 A 77 77 ASP C C 77 177.590 175.984 1.606 1 1 748 . 4 1 1 A 77 77 ASP CA C 77 58.380 56.869 1.511 1 1 749 . 4 1 1 A 77 77 ASP CB C 77 42.110 40.713 1.397 1 1 750 . 4 1 1 A 77 77 ASP N N 77 126.720 125.703 1.017 1 1 751 . 4 1 1 A 78 78 ILE H H 78 8.571 8.044 0.527 1 1 752 . 4 1 1 A 78 78 ILE HA H 78 3.563 3.780 -0.217 1 1 762 . 4 1 1 A 78 78 ILE C C 78 172.930 174.330 -1.400 1 1 763 . 4 1 1 A 78 78 ILE CA C 78 60.880 60.144 0.736 1 1 764 . 4 1 1 A 78 78 ILE CB C 78 37.410 37.174 0.236 1 1 765 . 4 1 1 A 78 78 ILE N N 78 120.210 118.815 1.395 1 1 766 . 4 1 1 A 79 79 PHE H H 79 8.018 9.012 -0.994 1 1 767 . 4 1 1 A 79 79 PHE HA H 79 5.018 4.926 0.092 1 1 775 . 4 1 1 A 79 79 PHE C C 79 174.130 173.726 0.404 1 1 776 . 4 1 1 A 79 79 PHE CA C 79 55.780 56.325 -0.545 1 1 777 . 4 1 1 A 79 79 PHE CB C 79 39.170 40.138 -0.968 1 1 778 . 4 1 1 A 79 79 PHE N N 79 127.300 129.195 -1.895 1 1 779 . 4 1 1 A 80 80 LEU H H 80 7.695 8.674 -0.979 1 1 780 . 4 1 1 A 80 80 LEU HA H 80 3.619 5.062 -1.443 1 1 790 . 4 1 1 A 80 80 LEU C C 80 173.720 174.960 -1.240 1 1 791 . 4 1 1 A 80 80 LEU CA C 80 52.340 53.010 -0.670 1 1 792 . 4 1 1 A 80 80 LEU CB C 80 41.770 44.007 -2.237 1 1 793 . 4 1 1 A 80 80 LEU N N 80 131.810 128.276 3.534 1 1 794 . 4 1 1 A 81 81 ASP H H 81 7.974 9.211 -1.237 1 1 795 . 4 1 1 A 81 81 ASP HA H 81 4.141 5.519 -1.378 1 1 798 . 4 1 1 A 81 81 ASP C C 81 175.130 174.137 0.993 1 1 799 . 4 1 1 A 81 81 ASP CA C 81 53.210 52.278 0.932 1 1 800 . 4 1 1 A 81 81 ASP CB C 81 39.930 43.398 -3.468 1 1 801 . 4 1 1 A 81 81 ASP N N 81 121.130 123.627 -2.497 1 1 802 . 4 1 1 A 82 82 ASP H H 82 7.583 8.585 -1.002 1 1 803 . 4 1 1 A 82 82 ASP HA H 82 4.859 5.039 -0.180 1 1 806 . 4 1 1 A 82 82 ASP C C 82 176.760 174.925 1.835 1 1 807 . 4 1 1 A 82 82 ASP CA C 82 54.980 52.958 2.022 1 1 808 . 4 1 1 A 82 82 ASP CB C 82 39.170 44.514 -5.344 1 1 809 . 4 1 1 A 82 82 ASP N N 82 121.540 121.507 0.033 1 1 810 . 4 1 1 A 83 83 VAL H H 83 8.344 8.295 0.049 1 1 811 . 4 1 1 A 83 83 VAL HA H 83 4.012 4.005 0.007 1 1 819 . 4 1 1 A 83 83 VAL C C 83 174.860 175.614 -0.754 1 1 820 . 4 1 1 A 83 83 VAL CA C 83 65.330 63.696 1.634 1 1 821 . 4 1 1 A 83 83 VAL CB C 83 31.530 32.343 -0.813 1 1 822 . 4 1 1 A 83 83 VAL N N 83 122.260 120.055 2.205 1 1 823 . 4 1 1 A 84 84 THR H H 84 8.268 7.465 0.803 1 1 824 . 4 1 1 A 84 84 THR HA H 84 4.540 4.613 -0.073 1 1 828 . 4 1 1 A 84 84 THR C C 84 175.360 173.079 2.281 1 1 829 . 4 1 1 A 84 84 THR CA C 84 63.810 61.412 2.398 1 1 830 . 4 1 1 A 84 84 THR CB C 84 70.900 69.884 1.016 1 1 831 . 4 1 1 A 84 84 THR N N 84 110.620 114.893 -4.273 1 1 832 . 4 1 1 A 85 85 VAL H H 85 8.579 8.906 -0.327 1 1 833 . 4 1 1 A 85 85 VAL HA H 85 4.254 4.447 -0.193 1 1 841 . 4 1 1 A 85 85 VAL C C 85 177.070 174.976 2.094 1 1 842 . 4 1 1 A 85 85 VAL CA C 85 61.930 60.903 1.027 1 1 843 . 4 1 1 A 85 85 VAL CB C 85 32.450 33.912 -1.462 1 1 844 . 4 1 1 A 85 85 VAL N N 85 126.860 127.904 -1.044 1 1 845 . 4 1 1 A 86 86 SER H H 86 11.668 9.012 2.656 1 1 846 . 4 1 1 A 86 86 SER HA H 86 5.203 4.609 0.594 1 1 849 . 4 1 1 A 86 86 SER C C 86 175.470 175.419 0.051 1 1 850 . 4 1 1 A 86 86 SER CA C 86 61.600 58.446 3.154 1 1 851 . 4 1 1 A 86 86 SER CB C 86 64.270 64.289 -0.019 1 1 852 . 4 1 1 A 86 86 SER N N 86 128.670 121.339 7.331 1 1 853 . 4 1 1 A 87 87 ARG H H 87 10.946 8.857 2.089 1 1 854 . 4 1 1 A 87 87 ARG HA H 87 5.179 4.192 0.987 1 1 862 . 4 1 1 A 87 87 ARG C C 87 177.110 175.815 1.295 1 1 863 . 4 1 1 A 87 87 ARG CA C 87 60.810 57.604 3.206 1 1 864 . 4 1 1 A 87 87 ARG CB C 87 29.010 30.448 -1.438 1 1 865 . 4 1 1 A 87 87 ARG N N 87 126.810 122.050 4.760 1 1 867 . 4 1 1 A 88 88 ARG H H 88 7.946 7.739 0.207 1 1 868 . 4 1 1 A 88 88 ARG HA H 88 4.459 4.575 -0.116 1 1 876 . 4 1 1 A 88 88 ARG C C 88 172.990 175.818 -2.828 1 1 877 . 4 1 1 A 88 88 ARG CA C 88 55.060 55.136 -0.076 1 1 878 . 4 1 1 A 88 88 ARG CB C 88 29.770 31.245 -1.475 1 1 879 . 4 1 1 A 88 88 ARG N N 88 115.670 119.150 -3.480 1 1 881 . 4 1 1 A 89 89 HIS H H 89 7.613 8.559 -0.946 1 1 882 . 4 1 1 A 89 89 HIS HA H 89 4.437 4.478 -0.041 1 1 888 . 4 1 1 A 89 89 HIS C C 89 174.050 174.989 -0.939 1 1 889 . 4 1 1 A 89 89 HIS CA C 89 58.420 58.231 0.189 1 1 890 . 4 1 1 A 89 89 HIS CB C 89 32.620 31.589 1.031 1 1 891 . 4 1 1 A 89 89 HIS N N 89 124.000 125.473 -1.473 1 1 893 . 4 1 1 A 90 90 ALA H H 90 8.454 7.225 1.229 1 1 894 . 4 1 1 A 90 90 ALA HA H 90 5.529 4.455 1.074 1 1 898 . 4 1 1 A 90 90 ALA C C 90 176.260 174.738 1.522 1 1 899 . 4 1 1 A 90 90 ALA CA C 90 50.240 51.149 -0.909 1 1 900 . 4 1 1 A 90 90 ALA CB C 90 23.220 22.415 0.805 1 1 901 . 4 1 1 A 90 90 ALA N N 90 116.480 117.824 -1.344 1 1 902 . 4 1 1 A 91 91 GLU H H 91 9.216 8.827 0.389 1 1 903 . 4 1 1 A 91 91 GLU HA H 91 4.931 4.821 0.110 1 1 908 . 4 1 1 A 91 91 GLU C C 91 173.910 174.075 -0.165 1 1 909 . 4 1 1 A 91 91 GLU CA C 91 54.690 54.530 0.160 1 1 910 . 4 1 1 A 91 91 GLU CB C 91 34.720 33.173 1.547 1 1 911 . 4 1 1 A 91 91 GLU N N 91 118.140 117.255 0.885 1 1 912 . 4 1 1 A 92 92 PHE H H 92 9.330 9.401 -0.071 1 1 913 . 4 1 1 A 92 92 PHE HA H 92 5.502 5.535 -0.033 1 1 921 . 4 1 1 A 92 92 PHE C C 92 176.650 174.759 1.891 1 1 922 . 4 1 1 A 92 92 PHE CA C 92 56.760 56.847 -0.087 1 1 923 . 4 1 1 A 92 92 PHE CB C 92 41.690 40.569 1.121 1 1 924 . 4 1 1 A 92 92 PHE N N 92 119.490 121.966 -2.476 1 1 925 . 4 1 1 A 93 93 ARG H H 93 9.846 9.279 0.567 1 1 926 . 4 1 1 A 93 93 ARG HA H 93 5.610 4.973 0.637 1 1 934 . 4 1 1 A 93 93 ARG C C 93 175.010 175.200 -0.190 1 1 935 . 4 1 1 A 93 93 ARG CA C 93 54.580 55.008 -0.428 1 1 936 . 4 1 1 A 93 93 ARG CB C 93 34.220 32.796 1.424 1 1 937 . 4 1 1 A 93 93 ARG N N 93 127.300 123.846 3.454 1 1 939 . 4 1 1 A 94 94 ILE H H 94 8.521 9.320 -0.799 1 1 940 . 4 1 1 A 94 94 ILE HA H 94 4.410 5.075 -0.665 1 1 950 . 4 1 1 A 94 94 ILE C C 94 176.420 174.757 1.663 1 1 951 . 4 1 1 A 94 94 ILE CA C 94 61.130 60.240 0.890 1 1 952 . 4 1 1 A 94 94 ILE CB C 94 38.830 39.178 -0.348 1 1 953 . 4 1 1 A 94 94 ILE N N 94 121.680 124.761 -3.081 1 1 954 . 4 1 1 A 95 95 ASN H H 95 8.847 8.979 -0.132 1 1 955 . 4 1 1 A 95 95 ASN HA H 95 4.796 5.006 -0.210 1 1 960 . 4 1 1 A 95 95 ASN C C 95 174.430 174.219 0.211 1 1 961 . 4 1 1 A 95 95 ASN CA C 95 52.560 52.681 -0.121 1 1 962 . 4 1 1 A 95 95 ASN CB C 95 40.510 40.845 -0.335 1 1 963 . 4 1 1 A 95 95 ASN N N 95 127.100 124.869 2.231 1 1 965 . 4 1 1 A 96 96 GLU H H 96 9.303 9.415 -0.112 1 1 966 . 4 1 1 A 96 96 GLU HA H 96 3.768 4.033 -0.265 1 1 971 . 4 1 1 A 96 96 GLU C C 96 176.280 176.644 -0.364 1 1 972 . 4 1 1 A 96 96 GLU CA C 96 57.150 57.536 -0.386 1 1 973 . 4 1 1 A 96 96 GLU CB C 96 27.590 27.961 -0.371 1 1 974 . 4 1 1 A 96 96 GLU N N 96 125.150 127.014 -1.864 1 1 975 . 4 1 1 A 97 97 GLY H H 97 7.937 8.561 -0.624 1 1 976 . 4 1 1 A 97 97 GLY HA2 H 97 4.042 3.651 0.391 1 1 977 . 4 1 1 A 97 97 GLY HA3 H 97 3.450 3.783 -0.333 1 1 978 . 4 1 1 A 97 97 GLY C C 97 172.990 173.544 -0.554 1 1 979 . 4 1 1 A 97 97 GLY CA C 97 45.390 45.262 0.128 1 1 980 . 4 1 1 A 97 97 GLY N N 97 104.330 104.372 -0.042 1 1 981 . 4 1 1 A 98 98 GLU H H 98 7.557 7.693 -0.136 1 1 982 . 4 1 1 A 98 98 GLU HA H 98 4.591 4.808 -0.217 1 1 987 . 4 1 1 A 98 98 GLU C C 98 174.530 175.254 -0.724 1 1 988 . 4 1 1 A 98 98 GLU CA C 98 54.770 54.369 0.401 1 1 989 . 4 1 1 A 98 98 GLU CB C 98 32.290 32.303 -0.013 1 1 990 . 4 1 1 A 98 98 GLU N N 98 119.350 119.896 -0.546 1 1 991 . 4 1 1 A 99 99 PHE H H 99 9.412 8.939 0.473 1 1 992 . 4 1 1 A 99 99 PHE HA H 99 5.007 5.309 -0.302 1 1 999 . 4 1 1 A 99 99 PHE C C 99 174.050 175.088 -1.038 1 1 1000 . 4 1 1 A 99 99 PHE CA C 99 57.260 56.612 0.648 1 1 1001 . 4 1 1 A 99 99 PHE CB C 99 42.110 41.251 0.859 1 1 1002 . 4 1 1 A 99 99 PHE N N 99 122.550 121.445 1.105 1 1 1003 . 4 1 1 A 100 100 GLU H H 100 9.444 9.610 -0.166 1 1 1004 . 4 1 1 A 100 100 GLU HA H 100 5.145 5.197 -0.052 1 1 1009 . 4 1 1 A 100 100 GLU C C 100 175.340 174.811 0.529 1 1 1010 . 4 1 1 A 100 100 GLU CA C 100 54.080 54.682 -0.602 1 1 1011 . 4 1 1 A 100 100 GLU CB C 100 34.720 33.350 1.370 1 1 1012 . 4 1 1 A 100 100 GLU N N 100 124.080 120.580 3.500 1 1 1013 . 4 1 1 A 101 101 VAL H H 101 8.726 9.244 -0.518 1 1 1014 . 4 1 1 A 101 101 VAL HA H 101 4.900 4.728 0.172 1 1 1022 . 4 1 1 A 101 101 VAL C C 101 172.510 175.089 -2.579 1 1 1023 . 4 1 1 A 101 101 VAL CA C 101 58.710 61.672 -2.962 1 1 1024 . 4 1 1 A 101 101 VAL CB C 101 33.550 33.226 0.324 1 1 1025 . 4 1 1 A 101 101 VAL N N 101 124.500 123.762 0.738 1 1 1026 . 4 1 1 A 102 102 VAL H H 102 8.719 9.224 -0.505 1 1 1027 . 4 1 1 A 102 102 VAL HA H 102 4.578 4.692 -0.114 1 1 1035 . 4 1 1 A 102 102 VAL C C 102 175.380 173.563 1.817 1 1 1036 . 4 1 1 A 102 102 VAL CA C 102 60.370 60.866 -0.496 1 1 1037 . 4 1 1 A 102 102 VAL CB C 102 36.060 33.739 2.321 1 1 1038 . 4 1 1 A 102 102 VAL N N 102 125.900 128.027 -2.127 1 1 1039 . 4 1 1 A 103 103 ASP H H 103 8.626 9.090 -0.464 1 1 1040 . 4 1 1 A 103 103 ASP HA H 103 4.856 4.768 0.088 1 1 1043 . 4 1 1 A 103 103 ASP C C 103 177.300 176.632 0.668 1 1 1044 . 4 1 1 A 103 103 ASP CA C 103 54.580 53.204 1.376 1 1 1045 . 4 1 1 A 103 103 ASP CB C 103 44.210 43.598 0.612 1 1 1046 . 4 1 1 A 103 103 ASP N N 103 127.250 128.227 -0.977 1 1 1047 . 4 1 1 A 104 104 VAL H H 104 7.890 8.541 -0.651 1 1 1048 . 4 1 1 A 104 104 VAL HA H 104 4.527 4.476 0.051 1 1 1056 . 4 1 1 A 104 104 VAL C C 104 174.490 176.001 -1.511 1 1 1057 . 4 1 1 A 104 104 VAL CA C 104 60.630 61.221 -0.591 1 1 1058 . 4 1 1 A 104 104 VAL CB C 104 29.350 33.493 -4.143 1 1 1059 . 4 1 1 A 104 104 VAL N N 104 119.270 120.030 -0.760 1 1 1060 . 4 1 1 A 105 105 GLY H H 105 8.690 7.820 0.870 1 1 1061 . 4 1 1 A 105 105 GLY HA2 H 105 4.270 4.024 0.246 1 1 1062 . 4 1 1 A 105 105 GLY HA3 H 105 3.685 4.036 -0.351 1 1 1063 . 4 1 1 A 105 105 GLY C C 105 175.490 174.893 0.597 1 1 1064 . 4 1 1 A 105 105 GLY CA C 105 45.650 46.488 -0.838 1 1 1065 . 4 1 1 A 105 105 GLY N N 105 111.790 110.326 1.464 1 1 1066 . 4 1 1 A 106 106 SER H H 106 9.218 8.342 0.876 1 1 1067 . 4 1 1 A 106 106 SER HA H 106 3.894 4.298 -0.404 1 1 1070 . 4 1 1 A 106 106 SER C C 106 174.590 175.699 -1.109 1 1 1071 . 4 1 1 A 106 106 SER CA C 106 58.600 61.105 -2.505 1 1 1072 . 4 1 1 A 106 106 SER CB C 106 61.250 63.027 -1.777 1 1 1073 . 4 1 1 A 106 106 SER N N 106 121.540 117.509 4.031 1 1 1074 . 4 1 1 A 107 107 LEU H H 107 8.018 7.988 0.030 1 1 1075 . 4 1 1 A 107 107 LEU HA H 107 4.240 4.078 0.162 1 1 1085 . 4 1 1 A 107 107 LEU C C 107 179.420 178.067 1.353 1 1 1086 . 4 1 1 A 107 107 LEU CA C 107 57.590 57.740 -0.150 1 1 1087 . 4 1 1 A 107 107 LEU CB C 107 42.360 41.391 0.969 1 1 1088 . 4 1 1 A 107 107 LEU N N 107 121.520 118.490 3.030 1 1 1089 . 4 1 1 A 108 108 ASN H H 108 8.799 7.917 0.882 1 1 1090 . 4 1 1 A 108 108 ASN HA H 108 4.986 4.581 0.405 1 1 1093 . 4 1 1 A 108 108 ASN C C 108 175.950 175.973 -0.023 1 1 1094 . 4 1 1 A 108 108 ASN CA C 108 54.440 53.102 1.338 1 1 1095 . 4 1 1 A 108 108 ASN CB C 108 41.180 39.383 1.797 1 1 1096 . 4 1 1 A 108 108 ASN N N 108 111.800 115.992 -4.192 1 1 1097 . 4 1 1 A 109 109 GLY H H 109 8.025 7.289 0.736 1 1 1098 . 4 1 1 A 109 109 GLY HA2 H 109 4.237 3.665 0.572 1 1 1099 . 4 1 1 A 109 109 GLY HA3 H 109 3.621 3.826 -0.205 1 1 1100 . 4 1 1 A 109 109 GLY C C 109 173.820 174.768 -0.948 1 1 1101 . 4 1 1 A 109 109 GLY CA C 109 44.340 46.544 -2.204 1 1 1102 . 4 1 1 A 109 109 GLY N N 109 110.600 109.146 1.454 1 1 1103 . 4 1 1 A 110 110 THR H H 110 8.770 8.057 0.713 1 1 1104 . 4 1 1 A 110 110 THR HA H 110 4.797 4.505 0.292 1 1 1109 . 4 1 1 A 110 110 THR C C 110 172.570 174.189 -1.619 1 1 1110 . 4 1 1 A 110 110 THR CA C 110 64.540 63.417 1.123 1 1 1111 . 4 1 1 A 110 110 THR CB C 110 70.230 68.999 1.231 1 1 1112 . 4 1 1 A 110 110 THR N N 110 121.240 114.728 6.512 1 1 1113 . 4 1 1 A 111 111 TYR H H 111 8.272 9.428 -1.156 1 1 1114 . 4 1 1 A 111 111 TYR HA H 111 5.155 5.248 -0.093 1 1 1121 . 4 1 1 A 111 111 TYR C C 111 175.860 174.644 1.216 1 1 1122 . 4 1 1 A 111 111 TYR CA C 111 55.820 56.449 -0.629 1 1 1123 . 4 1 1 A 111 111 TYR CB C 111 41.100 42.336 -1.236 1 1 1124 . 4 1 1 A 111 111 TYR N N 111 123.680 125.865 -2.185 1 1 1125 . 4 1 1 A 112 112 VAL H H 112 9.017 8.994 0.023 1 1 1126 . 4 1 1 A 112 112 VAL HA H 112 4.951 4.630 0.321 1 1 1134 . 4 1 1 A 112 112 VAL C C 112 176.780 176.395 0.385 1 1 1135 . 4 1 1 A 112 112 VAL CA C 112 61.130 61.233 -0.103 1 1 1136 . 4 1 1 A 112 112 VAL CB C 112 32.870 33.749 -0.879 1 1 1137 . 4 1 1 A 112 112 VAL N N 112 121.300 122.664 -1.364 1 1 1138 . 4 1 1 A 113 113 ASN H H 113 10.285 9.574 0.711 1 1 1139 . 4 1 1 A 113 113 ASN HA H 113 4.483 4.358 0.125 1 1 1144 . 4 1 1 A 113 113 ASN C C 113 174.590 174.293 0.297 1 1 1145 . 4 1 1 A 113 113 ASN CA C 113 55.160 54.438 0.722 1 1 1146 . 4 1 1 A 113 113 ASN CB C 113 37.240 37.110 0.130 1 1 1147 . 4 1 1 A 113 113 ASN N N 113 129.510 126.886 2.624 1 1 1149 . 4 1 1 A 114 114 ARG H H 114 9.459 8.399 1.060 1 1 1150 . 4 1 1 A 114 114 ARG HA H 114 3.659 3.996 -0.337 1 1 1158 . 4 1 1 A 114 114 ARG C C 114 174.900 174.505 0.395 1 1 1159 . 4 1 1 A 114 114 ARG CA C 114 58.280 57.703 0.577 1 1 1160 . 4 1 1 A 114 114 ARG CB C 114 27.250 27.411 -0.161 1 1 1161 . 4 1 1 A 114 114 ARG N N 114 106.570 110.833 -4.263 1 1 1163 . 4 1 1 A 115 115 GLU H H 115 7.827 7.727 0.100 1 1 1164 . 4 1 1 A 115 115 GLU HA H 115 5.153 4.509 0.644 1 1 1169 . 4 1 1 A 115 115 GLU C C 115 173.950 174.002 -0.052 1 1 1170 . 4 1 1 A 115 115 GLU CA C 115 52.990 52.640 0.350 1 1 1171 . 4 1 1 A 115 115 GLU N N 115 119.780 118.191 1.589 1 1 1172 . 4 1 1 A 116 116 PRO HA H 116 3.983 4.653 -0.670 1 1 1177 . 4 1 1 A 116 116 PRO C C 116 177.780 175.350 2.430 1 1 1178 . 4 1 1 A 116 116 PRO CA C 116 62.910 63.239 -0.329 1 1 1179 . 4 1 1 A 116 116 PRO CB C 116 31.200 31.824 -0.624 1 1 1180 . 4 1 1 A 117 117 ARG H H 117 8.414 8.913 -0.499 1 1 1181 . 4 1 1 A 117 117 ARG HA H 117 4.699 4.744 -0.045 1 1 1189 . 4 1 1 A 117 117 ARG C C 117 175.260 176.021 -0.761 1 1 1190 . 4 1 1 A 117 117 ARG CA C 117 52.990 55.170 -2.180 1 1 1191 . 4 1 1 A 117 117 ARG CB C 117 24.560 33.182 -8.622 1 1 1192 . 4 1 1 A 117 117 ARG N N 117 121.900 123.931 -2.031 1 1 1194 . 4 1 1 A 118 118 ASN H H 118 8.741 9.006 -0.265 1 1 1195 . 4 1 1 A 118 118 ASN HA H 118 4.731 4.638 0.093 1 1 1200 . 4 1 1 A 118 118 ASN C C 118 175.220 174.370 0.850 1 1 1201 . 4 1 1 A 118 118 ASN CA C 118 55.090 55.400 -0.310 1 1 1202 . 4 1 1 A 118 118 ASN CB C 118 38.920 38.298 0.622 1 1 1203 . 4 1 1 A 118 118 ASN N N 118 120.190 121.690 -1.500 1 1 1205 . 4 1 1 A 119 119 ALA H H 119 7.372 7.656 -0.284 1 1 1206 . 4 1 1 A 119 119 ALA HA H 119 5.319 5.094 0.225 1 1 1210 . 4 1 1 A 119 119 ALA C C 119 176.720 175.180 1.540 1 1 1211 . 4 1 1 A 119 119 ALA CA C 119 52.120 51.619 0.501 1 1 1212 . 4 1 1 A 119 119 ALA CB C 119 21.460 22.343 -0.883 1 1 1213 . 4 1 1 A 119 119 ALA N N 119 120.380 118.664 1.716 1 1 1214 . 4 1 1 A 120 120 GLN H H 120 8.787 8.964 -0.177 1 1 1215 . 4 1 1 A 120 120 GLN HA H 120 4.505 4.630 -0.125 1 1 1222 . 4 1 1 A 120 120 GLN C C 120 174.380 174.240 0.140 1 1 1223 . 4 1 1 A 120 120 GLN CA C 120 56.030 54.995 1.035 1 1 1224 . 4 1 1 A 120 120 GLN CB C 120 32.790 33.037 -0.247 1 1 1225 . 4 1 1 A 120 120 GLN N N 120 121.180 121.667 -0.487 1 1 1227 . 4 1 1 A 121 121 VAL H H 121 8.692 8.594 0.098 1 1 1228 . 4 1 1 A 121 121 VAL HA H 121 4.258 4.217 0.041 1 1 1236 . 4 1 1 A 121 121 VAL C C 121 176.510 176.257 0.253 1 1 1237 . 4 1 1 A 121 121 VAL CA C 121 64.140 62.848 1.292 1 1 1238 . 4 1 1 A 121 121 VAL CB C 121 31.700 31.831 -0.131 1 1 1239 . 4 1 1 A 121 121 VAL N N 121 129.930 125.876 4.054 1 1 1240 . 4 1 1 A 122 122 MET H H 122 8.924 8.716 0.208 1 1 1241 . 4 1 1 A 122 122 MET HA H 122 4.419 4.816 -0.397 1 1 1249 . 4 1 1 A 122 122 MET C C 122 174.380 175.741 -1.361 1 1 1250 . 4 1 1 A 122 122 MET CA C 122 55.740 53.793 1.947 1 1 1251 . 4 1 1 A 122 122 MET CB C 122 35.140 33.789 1.351 1 1 1252 . 4 1 1 A 122 122 MET N N 122 129.560 126.303 3.257 1 1 1253 . 4 1 1 A 123 123 GLN H H 123 9.002 9.437 -0.435 1 1 1254 . 4 1 1 A 123 123 GLN HA H 123 4.823 5.097 -0.274 1 1 1261 . 4 1 1 A 123 123 GLN C C 123 175.530 174.811 0.719 1 1 1262 . 4 1 1 A 123 123 GLN CA C 123 53.570 53.922 -0.352 1 1 1263 . 4 1 1 A 123 123 GLN CB C 123 32.290 32.514 -0.224 1 1 1264 . 4 1 1 A 123 123 GLN N N 123 119.810 119.084 0.726 1 1 1266 . 4 1 1 A 124 124 THR H H 124 9.036 8.779 0.257 1 1 1267 . 4 1 1 A 124 124 THR HA H 124 4.208 4.148 0.060 1 1 1272 . 4 1 1 A 124 124 THR C C 124 175.300 175.125 0.175 1 1 1273 . 4 1 1 A 124 124 THR CA C 124 65.510 63.607 1.903 1 1 1274 . 4 1 1 A 124 124 THR CB C 124 69.560 68.367 1.193 1 1 1275 . 4 1 1 A 124 124 THR N N 124 119.570 112.794 6.776 1 1 1276 . 4 1 1 A 125 125 GLY H H 125 9.921 9.243 0.678 1 1 1277 . 4 1 1 A 125 125 GLY HA2 H 125 4.552 4.025 0.527 1 1 1278 . 4 1 1 A 125 125 GLY HA3 H 125 3.480 4.036 -0.556 1 1 1279 . 4 1 1 A 125 125 GLY C C 125 174.650 174.125 0.525 1 1 1280 . 4 1 1 A 125 125 GLY CA C 125 44.710 44.966 -0.256 1 1 1281 . 4 1 1 A 125 125 GLY N N 125 117.920 114.314 3.606 1 1 1282 . 4 1 1 A 126 126 ASP H H 126 8.638 8.114 0.524 1 1 1283 . 4 1 1 A 126 126 ASP HA H 126 4.876 4.750 0.126 1 1 1286 . 4 1 1 A 126 126 ASP C C 126 174.650 175.237 -0.587 1 1 1287 . 4 1 1 A 126 126 ASP CA C 126 56.140 54.167 1.973 1 1 1288 . 4 1 1 A 126 126 ASP CB C 126 41.690 42.006 -0.316 1 1 1289 . 4 1 1 A 126 126 ASP N N 126 123.190 121.098 2.092 1 1 1290 . 4 1 1 A 127 127 GLU H H 127 8.316 8.756 -0.440 1 1 1291 . 4 1 1 A 127 127 GLU HA H 127 5.341 5.385 -0.044 1 1 1296 . 4 1 1 A 127 127 GLU C C 127 175.990 175.444 0.546 1 1 1297 . 4 1 1 A 127 127 GLU CA C 127 54.440 55.044 -0.604 1 1 1298 . 4 1 1 A 127 127 GLU CB C 127 32.790 33.116 -0.326 1 1 1299 . 4 1 1 A 127 127 GLU N N 127 118.480 122.115 -3.635 1 1 1300 . 4 1 1 A 128 128 ILE H H 128 9.910 9.399 0.511 1 1 1301 . 4 1 1 A 128 128 ILE HA H 128 5.334 5.197 0.137 1 1 1311 . 4 1 1 A 128 128 ILE C C 128 174.700 174.517 0.183 1 1 1312 . 4 1 1 A 128 128 ILE CA C 128 59.470 60.363 -0.893 1 1 1313 . 4 1 1 A 128 128 ILE CB C 128 40.600 38.995 1.605 1 1 1314 . 4 1 1 A 128 128 ILE N N 128 128.810 125.004 3.806 1 1 1315 . 4 1 1 A 129 129 GLN H H 129 9.502 9.336 0.166 1 1 1316 . 4 1 1 A 129 129 GLN HA H 129 5.406 5.329 0.077 1 1 1323 . 4 1 1 A 129 129 GLN C C 129 174.950 174.447 0.503 1 1 1324 . 4 1 1 A 129 129 GLN CA C 129 54.800 54.358 0.442 1 1 1325 . 4 1 1 A 129 129 GLN CB C 129 30.690 31.443 -0.753 1 1 1326 . 4 1 1 A 129 129 GLN N N 129 129.270 128.944 0.326 1 1 1328 . 4 1 1 A 130 130 ILE H H 130 8.498 8.766 -0.268 1 1 1329 . 4 1 1 A 130 130 ILE HA H 130 4.116 4.445 -0.329 1 1 1339 . 4 1 1 A 130 130 ILE C C 130 174.860 176.313 -1.453 1 1 1340 . 4 1 1 A 130 130 ILE CA C 130 60.740 60.109 0.631 1 1 1341 . 4 1 1 A 130 130 ILE CB C 130 41.440 39.561 1.879 1 1 1342 . 4 1 1 A 130 130 ILE N N 130 129.070 127.504 1.566 1 1 1343 . 4 1 1 A 131 131 GLY H H 131 9.924 8.700 1.224 1 1 1344 . 4 1 1 A 131 131 GLY HA2 H 131 3.768 3.730 0.038 1 1 1345 . 4 1 1 A 131 131 GLY HA3 H 131 3.337 3.924 -0.587 1 1 1346 . 4 1 1 A 131 131 GLY C C 131 174.590 174.596 -0.006 1 1 1347 . 4 1 1 A 131 131 GLY CA C 131 46.700 47.345 -0.645 1 1 1348 . 4 1 1 A 131 131 GLY N N 131 116.470 118.232 -1.762 1 1 1349 . 4 1 1 A 132 132 LYS H H 132 7.141 8.676 -1.535 1 1 1350 . 4 1 1 A 132 132 LYS HA H 132 3.750 4.503 -0.753 1 1 1357 . 4 1 1 A 132 132 LYS C C 132 175.820 176.005 -0.185 1 1 1358 . 4 1 1 A 132 132 LYS CA C 132 57.550 55.722 1.828 1 1 1359 . 4 1 1 A 132 132 LYS CB C 132 33.300 33.516 -0.216 1 1 1360 . 4 1 1 A 132 132 LYS N N 132 122.960 121.612 1.348 1 1 1361 . 4 1 1 A 133 133 PHE H H 133 8.360 8.296 0.064 1 1 1362 . 4 1 1 A 133 133 PHE HA H 133 4.601 5.133 -0.532 1 1 1370 . 4 1 1 A 133 133 PHE C C 133 174.910 175.267 -0.357 1 1 1371 . 4 1 1 A 133 133 PHE CA C 133 58.600 57.179 1.421 1 1 1372 . 4 1 1 A 133 133 PHE CB C 133 40.510 41.590 -1.080 1 1 1373 . 4 1 1 A 133 133 PHE N N 133 118.170 120.090 -1.920 1 1 1374 . 4 1 1 A 134 134 ARG H H 134 8.698 9.287 -0.589 1 1 1375 . 4 1 1 A 134 134 ARG HA H 134 5.212 5.100 0.112 1 1 1383 . 4 1 1 A 134 134 ARG C C 134 175.150 175.215 -0.065 1 1 1384 . 4 1 1 A 134 134 ARG CA C 134 55.060 54.954 0.106 1 1 1385 . 4 1 1 A 134 134 ARG CB C 134 33.550 32.169 1.381 1 1 1386 . 4 1 1 A 134 134 ARG N N 134 120.770 121.880 -1.110 1 1 1388 . 4 1 1 A 135 135 LEU H H 135 9.904 9.168 0.736 1 1 1389 . 4 1 1 A 135 135 LEU HA H 135 5.544 5.453 0.091 1 1 1399 . 4 1 1 A 135 135 LEU C C 135 175.260 175.534 -0.274 1 1 1400 . 4 1 1 A 135 135 LEU CA C 135 53.930 53.603 0.327 1 1 1401 . 4 1 1 A 135 135 LEU CB C 135 45.550 44.900 0.650 1 1 1402 . 4 1 1 A 135 135 LEU N N 135 127.130 125.797 1.333 1 1 1403 . 4 1 1 A 136 136 VAL H H 136 9.350 9.340 0.010 1 1 1404 . 4 1 1 A 136 136 VAL HA H 136 5.226 4.825 0.401 1 1 1412 . 4 1 1 A 136 136 VAL C C 136 174.050 173.993 0.057 1 1 1413 . 4 1 1 A 136 136 VAL CA C 136 60.520 60.156 0.364 1 1 1414 . 4 1 1 A 136 136 VAL CB C 136 34.890 34.102 0.788 1 1 1415 . 4 1 1 A 136 136 VAL N N 136 121.300 123.961 -2.661 1 1 1416 . 4 1 1 A 137 137 PHE H H 137 8.492 9.160 -0.668 1 1 1417 . 4 1 1 A 137 137 PHE HA H 137 5.007 4.986 0.021 1 1 1424 . 4 1 1 A 137 137 PHE C C 137 173.340 173.940 -0.600 1 1 1425 . 4 1 1 A 137 137 PHE CA C 137 57.010 56.295 0.715 1 1 1426 . 4 1 1 A 137 137 PHE CB C 137 41.770 40.813 0.957 1 1 1427 . 4 1 1 A 137 137 PHE N N 137 127.550 128.495 -0.945 1 1 1428 . 4 1 1 A 138 138 LEU H H 138 8.535 8.919 -0.384 1 1 1429 . 4 1 1 A 138 138 LEU HA H 138 4.345 4.667 -0.322 1 1 1439 . 4 1 1 A 138 138 LEU C C 138 173.390 174.464 -1.074 1 1 1440 . 4 1 1 A 138 138 LEU CA C 138 53.680 53.127 0.553 1 1 1441 . 4 1 1 A 138 138 LEU CB C 138 45.210 45.376 -0.166 1 1 1442 . 4 1 1 A 138 138 LEU N N 138 128.590 128.316 0.274 1 1 1443 . 4 1 1 A 139 139 ALA H H 139 7.502 8.376 -0.874 1 1 1444 . 4 1 1 A 139 139 ALA HA H 139 3.952 5.058 -1.106 1 1 1448 . 4 1 1 A 139 139 ALA C C 139 178.010 176.534 1.476 1 1 1449 . 4 1 1 A 139 139 ALA CA C 139 51.650 50.335 1.315 1 1 1450 . 4 1 1 A 139 139 ALA CB C 139 20.700 20.905 -0.205 1 1 1451 . 4 1 1 A 139 139 ALA N N 139 123.250 126.160 -2.910 1 1 1452 . 4 1 1 A 140 140 GLY H H 140 7.968 8.395 -0.427 1 1 1453 . 4 1 1 A 140 140 GLY HA2 H 140 4.202 3.957 0.245 1 1 1454 . 4 1 1 A 140 140 GLY HA3 H 140 3.595 3.975 -0.380 1 1 1455 . 4 1 1 A 140 140 GLY C C 140 171.240 174.647 -3.407 1 1 1456 . 4 1 1 A 140 140 GLY CA C 140 44.710 45.899 -1.189 1 1 1457 . 4 1 1 A 140 140 GLY N N 140 108.040 109.544 -1.504 1 1 1458 . 4 1 1 A 141 141 PRO HA H 141 4.460 4.597 -0.137 1 1 1463 . 4 1 1 A 141 141 PRO C C 141 176.150 175.526 0.624 1 1 1464 . 4 1 1 A 141 141 PRO CA C 141 63.230 62.854 0.376 1 1 1465 . 4 1 1 A 141 141 PRO CB C 141 32.370 32.362 0.008 1 1 1466 . 4 1 1 A 142 142 ALA H H 142 8.496 8.441 0.055 1 1 1467 . 4 1 1 A 142 142 ALA HA H 142 4.363 4.618 -0.255 1 1 1471 . 4 1 1 A 142 142 ALA C C 142 177.320 175.644 1.676 1 1 1472 . 4 1 1 A 142 142 ALA CA C 142 52.740 51.236 1.504 1 1 1473 . 4 1 1 A 142 142 ALA CB C 142 19.780 19.412 0.368 1 1 1474 . 4 1 1 A 142 142 ALA N N 142 124.080 124.221 -0.141 1 1 4 . 5 1 1 A 2 2 SER H H 2 8.404 9.145 -0.741 1 1 5 . 5 1 1 A 2 2 SER HA H 2 4.430 4.510 -0.080 1 1 8 . 5 1 1 A 2 2 SER C C 2 174.220 174.053 0.167 1 1 9 . 5 1 1 A 2 2 SER CA C 2 58.650 57.450 1.200 1 1 10 . 5 1 1 A 2 2 SER CB C 2 64.280 60.963 3.317 1 1 11 . 5 1 1 A 2 2 SER N N 2 116.880 118.105 -1.225 1 1 12 . 5 1 1 A 3 3 ASP H H 3 8.314 8.421 -0.107 1 1 13 . 5 1 1 A 3 3 ASP HA H 3 4.594 4.502 0.092 1 1 16 . 5 1 1 A 3 3 ASP C C 3 176.070 175.964 0.106 1 1 17 . 5 1 1 A 3 3 ASP CA C 3 54.580 56.944 -2.364 1 1 18 . 5 1 1 A 3 3 ASP CB C 3 41.530 41.175 0.355 1 1 19 . 5 1 1 A 3 3 ASP N N 3 122.210 126.620 -4.410 1 1 20 . 5 1 1 A 4 4 ASN H H 4 8.326 8.203 0.123 1 1 21 . 5 1 1 A 4 4 ASN HA H 4 4.748 4.426 0.322 1 1 24 . 5 1 1 A 4 4 ASN C C 4 175.130 174.819 0.311 1 1 25 . 5 1 1 A 4 4 ASN CA C 4 53.430 53.896 -0.466 1 1 26 . 5 1 1 A 4 4 ASN CB C 4 38.920 36.879 2.041 1 1 27 . 5 1 1 A 4 4 ASN N N 4 118.670 116.691 1.979 1 1 28 . 5 1 1 A 5 5 ASN H H 5 8.467 8.336 0.131 1 1 29 . 5 1 1 A 5 5 ASN HA H 5 4.702 4.962 -0.260 1 1 32 . 5 1 1 A 5 5 ASN C C 5 175.700 175.263 0.437 1 1 33 . 5 1 1 A 5 5 ASN CA C 5 53.610 54.703 -1.093 1 1 34 . 5 1 1 A 5 5 ASN CB C 5 39.090 41.587 -2.497 1 1 35 . 5 1 1 A 5 5 ASN N N 5 119.070 124.765 -5.695 1 1 36 . 5 1 1 A 6 6 GLY H H 6 8.333 7.373 0.960 1 1 37 . 5 1 1 A 6 6 GLY HA2 H 6 3.960 4.158 -0.198 1 1 38 . 5 1 1 A 6 6 GLY HA3 H 6 3.960 4.159 -0.199 1 1 39 . 5 1 1 A 6 6 GLY C C 6 174.050 173.383 0.667 1 1 40 . 5 1 1 A 6 6 GLY CA C 6 45.390 45.806 -0.416 1 1 41 . 5 1 1 A 6 6 GLY N N 6 109.000 105.943 3.057 1 1 42 . 5 1 1 A 7 7 THR H H 7 8.076 8.284 -0.208 1 1 43 . 5 1 1 A 7 7 THR HA H 7 4.591 4.385 0.206 1 1 48 . 5 1 1 A 7 7 THR C C 7 172.840 173.294 -0.454 1 1 49 . 5 1 1 A 7 7 THR CA C 7 60.050 60.029 0.021 1 1 50 . 5 1 1 A 7 7 THR N N 7 116.910 116.325 0.585 1 1 51 . 5 1 1 A 8 8 PRO HA H 8 4.414 4.886 -0.472 1 1 54 . 5 1 1 A 8 8 PRO C C 8 176.690 176.503 0.187 1 1 55 . 5 1 1 A 8 8 PRO CA C 8 63.090 62.338 0.752 1 1 56 . 5 1 1 A 8 8 PRO CB C 8 32.290 32.119 0.171 1 1 57 . 5 1 1 A 9 9 GLU H H 9 8.467 8.628 -0.161 1 1 58 . 5 1 1 A 9 9 GLU HA H 9 4.527 5.041 -0.514 1 1 63 . 5 1 1 A 9 9 GLU C C 9 174.680 174.463 0.217 1 1 64 . 5 1 1 A 9 9 GLU CA C 9 54.550 54.122 0.428 1 1 65 . 5 1 1 A 9 9 GLU N N 9 122.910 118.800 4.110 1 1 66 . 5 1 1 A 10 10 PRO HA H 10 4.371 4.593 -0.222 1 1 71 . 5 1 1 A 10 10 PRO C C 10 176.820 176.811 0.009 1 1 72 . 5 1 1 A 10 10 PRO CA C 10 63.300 63.008 0.292 1 1 73 . 5 1 1 A 10 10 PRO CB C 10 32.290 31.916 0.374 1 1 74 . 5 1 1 A 11 11 GLN H H 11 8.543 8.646 -0.103 1 1 75 . 5 1 1 A 11 11 GLN HA H 11 4.334 4.878 -0.544 1 1 82 . 5 1 1 A 11 11 GLN C C 11 176.010 175.365 0.645 1 1 83 . 5 1 1 A 11 11 GLN CA C 11 55.710 55.519 0.191 1 1 84 . 5 1 1 A 11 11 GLN CB C 11 29.520 30.753 -1.233 1 1 85 . 5 1 1 A 11 11 GLN N N 11 121.100 120.363 0.737 1 1 87 . 5 1 1 A 12 12 VAL H H 12 8.201 8.713 -0.512 1 1 88 . 5 1 1 A 12 12 VAL HA H 12 4.144 4.822 -0.678 1 1 96 . 5 1 1 A 12 12 VAL C C 12 175.940 174.784 1.156 1 1 97 . 5 1 1 A 12 12 VAL CA C 12 62.110 61.224 0.886 1 1 98 . 5 1 1 A 12 12 VAL CB C 12 32.800 33.432 -0.632 1 1 99 . 5 1 1 A 12 12 VAL N N 12 122.070 123.252 -1.182 1 1 100 . 5 1 1 A 13 13 GLU H H 13 8.593 8.789 -0.196 1 1 101 . 5 1 1 A 13 13 GLU HA H 13 4.329 4.776 -0.447 1 1 106 . 5 1 1 A 13 13 GLU C C 13 176.720 174.471 2.249 1 1 107 . 5 1 1 A 13 13 GLU CA C 13 56.830 55.043 1.787 1 1 108 . 5 1 1 A 13 13 GLU CB C 13 30.860 33.993 -3.133 1 1 109 . 5 1 1 A 13 13 GLU N N 13 124.660 126.905 -2.245 1 1 138 . 5 1 1 A 17 17 VAL H H 17 8.458 8.874 -0.416 1 1 139 . 5 1 1 A 17 17 VAL HA H 17 4.183 4.384 -0.201 1 1 147 . 5 1 1 A 17 17 VAL C C 17 175.950 175.712 0.238 1 1 148 . 5 1 1 A 17 17 VAL CA C 17 63.780 61.998 1.782 1 1 149 . 5 1 1 A 17 17 VAL CB C 17 32.460 31.563 0.897 1 1 150 . 5 1 1 A 17 17 VAL N N 17 124.860 126.668 -1.808 1 1 151 . 5 1 1 A 18 18 PHE H H 18 8.579 8.820 -0.241 1 1 152 . 5 1 1 A 18 18 PHE HA H 18 4.650 5.806 -1.156 1 1 160 . 5 1 1 A 18 18 PHE C C 18 173.450 173.248 0.202 1 1 161 . 5 1 1 A 18 18 PHE CA C 18 57.480 55.041 2.439 1 1 162 . 5 1 1 A 18 18 PHE CB C 18 41.950 42.780 -0.830 1 1 163 . 5 1 1 A 18 18 PHE N N 18 127.160 123.725 3.435 1 1 164 . 5 1 1 A 19 19 ARG H H 19 7.920 9.033 -1.113 1 1 165 . 5 1 1 A 19 19 ARG HA H 19 4.196 4.874 -0.678 1 1 170 . 5 1 1 A 19 19 ARG C C 19 174.930 175.908 -0.978 1 1 171 . 5 1 1 A 19 19 ARG CA C 19 54.800 54.689 0.111 1 1 172 . 5 1 1 A 19 19 ARG CB C 19 30.610 32.172 -1.562 1 1 173 . 5 1 1 A 19 19 ARG N N 19 127.500 122.052 5.448 1 1 174 . 5 1 1 A 20 20 ALA H H 20 8.067 8.827 -0.760 1 1 175 . 5 1 1 A 20 20 ALA HA H 20 3.729 4.680 -0.951 1 1 179 . 5 1 1 A 20 20 ALA C C 20 177.630 178.003 -0.373 1 1 180 . 5 1 1 A 20 20 ALA CA C 20 53.280 51.046 2.234 1 1 181 . 5 1 1 A 20 20 ALA CB C 20 18.860 19.995 -1.135 1 1 182 . 5 1 1 A 20 20 ALA N N 20 126.460 130.352 -3.892 1 1 183 . 5 1 1 A 21 21 ASP H H 21 8.355 9.060 -0.705 1 1 184 . 5 1 1 A 21 21 ASP HA H 21 4.350 4.527 -0.177 1 1 187 . 5 1 1 A 21 21 ASP C C 21 176.720 177.370 -0.650 1 1 188 . 5 1 1 A 21 21 ASP CA C 21 54.480 55.387 -0.907 1 1 189 . 5 1 1 A 21 21 ASP CB C 21 40.350 40.483 -0.133 1 1 190 . 5 1 1 A 21 21 ASP N N 21 117.850 118.536 -0.686 1 1 191 . 5 1 1 A 22 22 LEU H H 22 7.705 7.815 -0.110 1 1 192 . 5 1 1 A 22 22 LEU HA H 22 4.088 3.928 0.160 1 1 202 . 5 1 1 A 22 22 LEU C C 22 177.760 178.472 -0.712 1 1 203 . 5 1 1 A 22 22 LEU CA C 22 55.780 57.513 -1.733 1 1 204 . 5 1 1 A 22 22 LEU CB C 22 41.860 41.198 0.662 1 1 205 . 5 1 1 A 22 22 LEU N N 22 121.600 118.312 3.288 1 1 206 . 5 1 1 A 23 23 LEU H H 23 7.717 7.911 -0.194 1 1 207 . 5 1 1 A 23 23 LEU HA H 23 4.166 3.895 0.271 1 1 217 . 5 1 1 A 23 23 LEU C C 23 177.840 179.325 -1.485 1 1 218 . 5 1 1 A 23 23 LEU CA C 23 55.960 58.052 -2.092 1 1 219 . 5 1 1 A 23 23 LEU CB C 23 41.950 40.861 1.089 1 1 220 . 5 1 1 A 23 23 LEU N N 23 120.360 118.778 1.582 1 1 221 . 5 1 1 A 24 24 LYS H H 24 7.933 8.023 -0.090 1 1 222 . 5 1 1 A 24 24 LYS HA H 24 4.174 4.133 0.041 1 1 229 . 5 1 1 A 24 24 LYS C C 24 177.190 178.971 -1.781 1 1 230 . 5 1 1 A 24 24 LYS CA C 24 57.050 59.222 -2.172 1 1 231 . 5 1 1 A 24 24 LYS CB C 24 32.880 32.331 0.549 1 1 232 . 5 1 1 A 24 24 LYS N N 24 121.120 118.300 2.820 1 1 233 . 5 1 1 A 25 25 GLU H H 25 8.160 8.119 0.041 1 1 234 . 5 1 1 A 25 25 GLU HA H 25 4.199 4.035 0.164 1 1 239 . 5 1 1 A 25 25 GLU C C 25 176.900 178.785 -1.885 1 1 240 . 5 1 1 A 25 25 GLU CA C 25 57.010 59.471 -2.461 1 1 241 . 5 1 1 A 25 25 GLU CB C 25 30.280 29.226 1.054 1 1 242 . 5 1 1 A 25 25 GLU N N 25 121.550 120.045 1.505 1 1 243 . 5 1 1 A 26 26 MET H H 26 8.270 7.982 0.288 1 1 244 . 5 1 1 A 26 26 MET HA H 26 4.360 4.134 0.226 1 1 252 . 5 1 1 A 26 26 MET C C 26 176.440 177.911 -1.471 1 1 253 . 5 1 1 A 26 26 MET CA C 26 56.180 58.223 -2.043 1 1 254 . 5 1 1 A 26 26 MET CB C 26 33.050 32.123 0.927 1 1 255 . 5 1 1 A 26 26 MET N N 26 120.730 119.282 1.448 1 1 256 . 5 1 1 A 27 27 GLU H H 27 8.297 8.453 -0.156 1 1 257 . 5 1 1 A 27 27 GLU HA H 27 4.264 4.069 0.195 1 1 262 . 5 1 1 A 27 27 GLU C C 27 176.650 178.720 -2.070 1 1 263 . 5 1 1 A 27 27 GLU CA C 27 56.830 59.651 -2.821 1 1 264 . 5 1 1 A 27 27 GLU CB C 27 30.530 29.370 1.160 1 1 265 . 5 1 1 A 27 27 GLU N N 27 121.650 120.296 1.354 1 1 266 . 5 1 1 A 28 28 SER H H 28 8.279 8.312 -0.033 1 1 267 . 5 1 1 A 28 28 SER HA H 28 4.473 4.299 0.174 1 1 270 . 5 1 1 A 28 28 SER C C 28 174.760 176.963 -2.203 1 1 271 . 5 1 1 A 28 28 SER CA C 28 58.460 61.111 -2.651 1 1 272 . 5 1 1 A 28 28 SER CB C 28 64.190 63.094 1.096 1 1 273 . 5 1 1 A 28 28 SER N N 28 116.610 114.918 1.692 1 1 274 . 5 1 1 A 29 29 SER H H 29 8.443 7.546 0.897 1 1 275 . 5 1 1 A 29 29 SER HA H 29 4.541 4.397 0.144 1 1 278 . 5 1 1 A 29 29 SER C C 29 174.950 174.719 0.231 1 1 279 . 5 1 1 A 29 29 SER CA C 29 58.530 60.401 -1.871 1 1 280 . 5 1 1 A 29 29 SER CB C 29 64.190 63.710 0.480 1 1 281 . 5 1 1 A 29 29 SER N N 29 118.290 114.575 3.715 1 1 282 . 5 1 1 A 30 30 THR H H 30 8.220 7.498 0.722 1 1 283 . 5 1 1 A 30 30 THR HA H 30 4.372 4.080 0.292 1 1 288 . 5 1 1 A 30 30 THR C C 30 175.280 175.563 -0.283 1 1 289 . 5 1 1 A 30 30 THR CA C 30 62.260 64.680 -2.420 1 1 290 . 5 1 1 A 30 30 THR CB C 30 69.900 67.920 1.980 1 1 291 . 5 1 1 A 30 30 THR N N 30 115.600 114.965 0.635 1 1 292 . 5 1 1 A 31 31 GLY H H 31 8.401 8.631 -0.230 1 1 293 . 5 1 1 A 31 31 GLY HA2 H 31 4.005 4.002 0.003 1 1 294 . 5 1 1 A 31 31 GLY HA3 H 31 4.005 4.003 0.002 1 1 295 . 5 1 1 A 31 31 GLY C C 31 174.160 174.763 -0.603 1 1 296 . 5 1 1 A 31 31 GLY CA C 31 45.470 45.421 0.049 1 1 297 . 5 1 1 A 31 31 GLY N N 31 111.270 114.675 -3.405 1 1 298 . 5 1 1 A 32 32 THR H H 32 8.034 7.391 0.643 1 1 299 . 5 1 1 A 32 32 THR HA H 32 4.319 4.273 0.046 1 1 304 . 5 1 1 A 32 32 THR C C 32 174.130 174.045 0.085 1 1 305 . 5 1 1 A 32 32 THR CA C 32 61.710 63.247 -1.537 1 1 306 . 5 1 1 A 32 32 THR CB C 32 70.150 69.267 0.883 1 1 307 . 5 1 1 A 32 32 THR N N 32 113.770 115.162 -1.392 1 1 308 . 5 1 1 A 33 33 ALA H H 33 8.410 8.721 -0.311 1 1 309 . 5 1 1 A 33 33 ALA HA H 33 4.581 4.759 -0.178 1 1 313 . 5 1 1 A 33 33 ALA C C 33 175.490 175.296 0.194 1 1 314 . 5 1 1 A 33 33 ALA CA C 33 50.680 48.876 1.804 1 1 315 . 5 1 1 A 33 33 ALA N N 33 128.320 129.373 -1.053 1 1 316 . 5 1 1 A 34 34 PRO HA H 34 4.389 4.720 -0.331 1 1 321 . 5 1 1 A 34 34 PRO C C 34 176.650 176.637 0.013 1 1 322 . 5 1 1 A 34 34 PRO CA C 34 63.090 62.617 0.473 1 1 323 . 5 1 1 A 34 34 PRO CB C 34 32.210 32.385 -0.175 1 1 324 . 5 1 1 A 35 35 ALA H H 35 8.433 8.606 -0.173 1 1 325 . 5 1 1 A 35 35 ALA HA H 35 4.275 4.820 -0.545 1 1 329 . 5 1 1 A 35 35 ALA C C 35 177.730 176.218 1.512 1 1 330 . 5 1 1 A 35 35 ALA CA C 35 52.590 50.272 2.318 1 1 331 . 5 1 1 A 35 35 ALA CB C 35 19.450 22.863 -3.413 1 1 332 . 5 1 1 A 35 35 ALA N N 35 124.330 123.026 1.304 1 1 333 . 5 1 1 A 36 36 SER H H 36 8.259 8.586 -0.327 1 1 334 . 5 1 1 A 36 36 SER HA H 36 4.474 4.022 0.452 1 1 337 . 5 1 1 A 36 36 SER C C 36 174.860 173.633 1.227 1 1 338 . 5 1 1 A 36 36 SER CA C 36 58.130 59.643 -1.513 1 1 339 . 5 1 1 A 36 36 SER CB C 36 64.190 61.488 2.702 1 1 340 . 5 1 1 A 36 36 SER N N 36 114.560 111.065 3.495 1 1 341 . 5 1 1 A 37 37 THR H H 37 8.325 7.813 0.512 1 1 342 . 5 1 1 A 37 37 THR HA H 37 4.281 4.348 -0.067 1 1 346 . 5 1 1 A 37 37 THR C C 37 175.110 174.684 0.426 1 1 347 . 5 1 1 A 37 37 THR CA C 37 62.260 61.975 0.285 1 1 348 . 5 1 1 A 37 37 THR CB C 37 70.150 68.981 1.169 1 1 349 . 5 1 1 A 37 37 THR N N 37 115.300 115.774 -0.474 1 1 350 . 5 1 1 A 38 38 GLY H H 38 8.511 8.763 -0.252 1 1 351 . 5 1 1 A 38 38 GLY HA2 H 38 3.975 4.058 -0.083 1 1 352 . 5 1 1 A 38 38 GLY HA3 H 38 3.809 4.061 -0.252 1 1 353 . 5 1 1 A 38 38 GLY C C 38 174.470 174.719 -0.249 1 1 354 . 5 1 1 A 38 38 GLY CA C 38 45.470 46.593 -1.123 1 1 355 . 5 1 1 A 38 38 GLY N N 38 110.440 115.489 -5.049 1 1 356 . 5 1 1 A 39 39 ALA H H 39 8.245 7.864 0.381 1 1 357 . 5 1 1 A 39 39 ALA HA H 39 4.164 4.299 -0.135 1 1 361 . 5 1 1 A 39 39 ALA C C 39 177.590 178.248 -0.658 1 1 362 . 5 1 1 A 39 39 ALA CA C 39 52.560 52.738 -0.178 1 1 363 . 5 1 1 A 39 39 ALA CB C 39 19.360 19.705 -0.345 1 1 364 . 5 1 1 A 39 39 ALA N N 39 124.080 121.276 2.804 1 1 365 . 5 1 1 A 40 40 GLU H H 40 8.721 8.751 -0.030 1 1 366 . 5 1 1 A 40 40 GLU HA H 40 4.083 4.190 -0.107 1 1 371 . 5 1 1 A 40 40 GLU C C 40 176.320 176.853 -0.533 1 1 372 . 5 1 1 A 40 40 GLU CA C 40 57.910 57.111 0.799 1 1 373 . 5 1 1 A 40 40 GLU CB C 40 29.520 28.483 1.037 1 1 374 . 5 1 1 A 40 40 GLU N N 40 118.270 117.194 1.076 1 1 375 . 5 1 1 A 41 41 ASN H H 41 8.226 7.855 0.371 1 1 376 . 5 1 1 A 41 41 ASN HA H 41 4.716 4.837 -0.121 1 1 381 . 5 1 1 A 41 41 ASN C C 41 174.800 174.534 0.266 1 1 382 . 5 1 1 A 41 41 ASN CA C 41 52.880 52.798 0.082 1 1 383 . 5 1 1 A 41 41 ASN CB C 41 38.840 39.381 -0.541 1 1 384 . 5 1 1 A 41 41 ASN N N 41 117.620 117.314 0.306 1 1 386 . 5 1 1 A 42 42 LEU H H 42 7.629 7.644 -0.015 1 1 387 . 5 1 1 A 42 42 LEU HA H 42 4.418 4.034 0.384 1 1 397 . 5 1 1 A 42 42 LEU C C 42 174.610 176.490 -1.880 1 1 398 . 5 1 1 A 42 42 LEU CA C 42 53.170 55.370 -2.200 1 1 399 . 5 1 1 A 42 42 LEU N N 42 123.010 117.081 5.929 1 1 400 . 5 1 1 A 43 43 PRO HA H 43 4.366 4.305 0.061 1 1 407 . 5 1 1 A 43 43 PRO C C 43 177.050 177.743 -0.693 1 1 408 . 5 1 1 A 43 43 PRO CA C 43 62.260 66.148 -3.888 1 1 409 . 5 1 1 A 43 43 PRO CB C 43 32.380 31.429 0.951 1 1 410 . 5 1 1 A 44 44 ALA H H 44 8.552 7.249 1.303 1 1 411 . 5 1 1 A 44 44 ALA HA H 44 4.223 4.334 -0.111 1 1 415 . 5 1 1 A 44 44 ALA C C 44 179.500 177.990 1.510 1 1 416 . 5 1 1 A 44 44 ALA CA C 44 53.250 51.726 1.524 1 1 417 . 5 1 1 A 44 44 ALA CB C 44 18.190 18.821 -0.631 1 1 418 . 5 1 1 A 44 44 ALA N N 44 125.070 118.137 6.933 1 1 419 . 5 1 1 A 45 45 GLY H H 45 8.897 8.550 0.347 1 1 420 . 5 1 1 A 45 45 GLY HA2 H 45 4.214 3.967 0.247 1 1 421 . 5 1 1 A 45 45 GLY HA3 H 45 3.833 3.990 -0.157 1 1 422 . 5 1 1 A 45 45 GLY C C 45 173.720 173.478 0.242 1 1 423 . 5 1 1 A 45 45 GLY CA C 45 45.790 45.911 -0.121 1 1 424 . 5 1 1 A 45 45 GLY N N 45 110.600 109.529 1.071 1 1 425 . 5 1 1 A 46 46 SER H H 46 7.690 7.796 -0.106 1 1 426 . 5 1 1 A 46 46 SER HA H 46 5.338 5.123 0.215 1 1 429 . 5 1 1 A 46 46 SER C C 46 172.990 172.165 0.825 1 1 430 . 5 1 1 A 46 46 SER CA C 46 57.810 57.687 0.123 1 1 431 . 5 1 1 A 46 46 SER CB C 46 66.960 67.076 -0.116 1 1 432 . 5 1 1 A 46 46 SER N N 46 114.180 115.518 -1.338 1 1 433 . 5 1 1 A 47 47 ALA H H 47 8.435 8.753 -0.318 1 1 434 . 5 1 1 A 47 47 ALA HA H 47 4.338 4.977 -0.639 1 1 438 . 5 1 1 A 47 47 ALA C C 47 173.840 175.689 -1.849 1 1 439 . 5 1 1 A 47 47 ALA CA C 47 51.690 50.597 1.093 1 1 440 . 5 1 1 A 47 47 ALA CB C 47 24.570 23.002 1.568 1 1 441 . 5 1 1 A 47 47 ALA N N 47 120.900 123.737 -2.837 1 1 442 . 5 1 1 A 48 48 LEU H H 48 8.673 8.704 -0.031 1 1 443 . 5 1 1 A 48 48 LEU HA H 48 5.021 5.179 -0.158 1 1 453 . 5 1 1 A 48 48 LEU C C 48 174.680 174.930 -0.250 1 1 454 . 5 1 1 A 48 48 LEU CA C 48 53.350 52.881 0.469 1 1 455 . 5 1 1 A 48 48 LEU CB C 48 48.150 46.173 1.977 1 1 456 . 5 1 1 A 48 48 LEU N N 48 120.170 115.813 4.357 1 1 457 . 5 1 1 A 49 49 LEU H H 49 8.686 9.078 -0.392 1 1 458 . 5 1 1 A 49 49 LEU HA H 49 5.403 5.593 -0.190 1 1 468 . 5 1 1 A 49 49 LEU C C 49 176.170 175.476 0.694 1 1 469 . 5 1 1 A 49 49 LEU CA C 49 52.810 52.964 -0.154 1 1 470 . 5 1 1 A 49 49 LEU CB C 49 46.310 45.532 0.778 1 1 471 . 5 1 1 A 49 49 LEU N N 49 120.170 116.058 4.112 1 1 472 . 5 1 1 A 50 50 VAL H H 50 8.874 9.363 -0.489 1 1 473 . 5 1 1 A 50 50 VAL HA H 50 4.971 5.121 -0.150 1 1 481 . 5 1 1 A 50 50 VAL C C 50 176.740 175.162 1.578 1 1 482 . 5 1 1 A 50 50 VAL CA C 50 59.940 60.209 -0.269 1 1 483 . 5 1 1 A 50 50 VAL CB C 50 34.970 34.431 0.539 1 1 484 . 5 1 1 A 50 50 VAL N N 50 120.580 121.643 -1.063 1 1 485 . 5 1 1 A 51 51 VAL H H 51 8.984 9.550 -0.566 1 1 486 . 5 1 1 A 51 51 VAL HA H 51 4.155 4.197 -0.042 1 1 494 . 5 1 1 A 51 51 VAL C C 51 176.050 176.045 0.005 1 1 495 . 5 1 1 A 51 51 VAL CA C 51 64.280 62.937 1.343 1 1 496 . 5 1 1 A 51 51 VAL CB C 51 31.280 31.536 -0.256 1 1 497 . 5 1 1 A 51 51 VAL N N 51 125.710 126.733 -1.023 1 1 498 . 5 1 1 A 52 52 LYS H H 52 9.444 9.577 -0.133 1 1 499 . 5 1 1 A 52 52 LYS HA H 52 4.450 4.430 0.020 1 1 506 . 5 1 1 A 52 52 LYS C C 52 176.150 175.760 0.390 1 1 507 . 5 1 1 A 52 52 LYS CA C 52 57.050 57.366 -0.316 1 1 508 . 5 1 1 A 52 52 LYS CB C 52 34.470 33.957 0.513 1 1 509 . 5 1 1 A 52 52 LYS N N 52 132.750 129.723 3.027 1 1 510 . 5 1 1 A 53 53 ARG H H 53 8.051 7.617 0.434 1 1 511 . 5 1 1 A 53 53 ARG HA H 53 4.685 4.916 -0.231 1 1 516 . 5 1 1 A 53 53 ARG C C 53 173.470 174.763 -1.293 1 1 517 . 5 1 1 A 53 53 ARG CA C 53 55.090 55.153 -0.063 1 1 518 . 5 1 1 A 53 53 ARG CB C 53 34.300 34.297 0.003 1 1 519 . 5 1 1 A 53 53 ARG N N 53 117.320 118.790 -1.470 1 1 520 . 5 1 1 A 54 54 GLY H H 54 8.377 8.322 0.055 1 1 521 . 5 1 1 A 54 54 GLY HA2 H 54 4.215 3.790 0.425 1 1 522 . 5 1 1 A 54 54 GLY HA3 H 54 3.503 3.923 -0.420 1 1 523 . 5 1 1 A 54 54 GLY C C 54 171.870 174.077 -2.207 1 1 524 . 5 1 1 A 54 54 GLY CA C 54 43.770 44.285 -0.515 1 1 525 . 5 1 1 A 54 54 GLY N N 54 110.960 112.504 -1.544 1 1 526 . 5 1 1 A 55 55 PRO HA H 55 4.255 4.341 -0.086 1 1 531 . 5 1 1 A 55 55 PRO C C 55 175.940 177.628 -1.688 1 1 532 . 5 1 1 A 55 55 PRO CA C 55 64.390 65.031 -0.641 1 1 533 . 5 1 1 A 55 55 PRO CB C 55 31.360 31.908 -0.548 1 1 534 . 5 1 1 A 56 56 ASN H H 56 8.202 8.594 -0.392 1 1 535 . 5 1 1 A 56 56 ASN HA H 56 4.685 4.842 -0.157 1 1 540 . 5 1 1 A 56 56 ASN C C 56 174.410 175.588 -1.178 1 1 541 . 5 1 1 A 56 56 ASN CA C 56 52.120 52.572 -0.452 1 1 542 . 5 1 1 A 56 56 ASN CB C 56 37.070 37.794 -0.724 1 1 543 . 5 1 1 A 56 56 ASN N N 56 114.760 113.659 1.101 1 1 545 . 5 1 1 A 57 57 ALA H H 57 7.283 7.351 -0.068 1 1 546 . 5 1 1 A 57 57 ALA HA H 57 3.618 4.162 -0.544 1 1 550 . 5 1 1 A 57 57 ALA C C 57 178.090 178.404 -0.314 1 1 551 . 5 1 1 A 57 57 ALA CA C 57 54.480 53.666 0.814 1 1 552 . 5 1 1 A 57 57 ALA CB C 57 17.760 18.962 -1.202 1 1 553 . 5 1 1 A 57 57 ALA N N 57 120.380 124.151 -3.771 1 1 554 . 5 1 1 A 58 58 GLY H H 58 9.052 9.296 -0.244 1 1 555 . 5 1 1 A 58 58 GLY HA2 H 58 4.449 4.022 0.427 1 1 556 . 5 1 1 A 58 58 GLY HA3 H 58 3.415 4.024 -0.609 1 1 557 . 5 1 1 A 58 58 GLY C C 58 174.610 174.360 0.250 1 1 558 . 5 1 1 A 58 58 GLY CA C 58 44.530 45.053 -0.523 1 1 559 . 5 1 1 A 58 58 GLY N N 58 112.180 110.620 1.560 1 1 560 . 5 1 1 A 59 59 ALA H H 59 8.171 7.537 0.634 1 1 561 . 5 1 1 A 59 59 ALA HA H 59 4.081 4.298 -0.217 1 1 565 . 5 1 1 A 59 59 ALA C C 59 175.220 176.771 -1.551 1 1 566 . 5 1 1 A 59 59 ALA CA C 59 53.170 52.094 1.076 1 1 567 . 5 1 1 A 59 59 ALA CB C 59 19.360 19.715 -0.355 1 1 568 . 5 1 1 A 59 59 ALA N N 59 124.650 123.982 0.668 1 1 569 . 5 1 1 A 60 60 ARG H H 60 7.751 8.818 -1.067 1 1 570 . 5 1 1 A 60 60 ARG HA H 60 5.105 5.292 -0.187 1 1 575 . 5 1 1 A 60 60 ARG C C 60 175.320 174.695 0.625 1 1 576 . 5 1 1 A 60 60 ARG CA C 60 54.150 54.349 -0.199 1 1 577 . 5 1 1 A 60 60 ARG CB C 60 34.130 33.538 0.592 1 1 578 . 5 1 1 A 60 60 ARG N N 60 116.920 119.236 -2.316 1 1 579 . 5 1 1 A 61 61 PHE H H 61 9.213 9.229 -0.016 1 1 580 . 5 1 1 A 61 61 PHE HA H 61 4.788 5.014 -0.226 1 1 587 . 5 1 1 A 61 61 PHE C C 61 173.930 175.037 -1.107 1 1 588 . 5 1 1 A 61 61 PHE CA C 61 56.500 56.761 -0.261 1 1 589 . 5 1 1 A 61 61 PHE CB C 61 41.860 42.998 -1.138 1 1 590 . 5 1 1 A 61 61 PHE N N 61 121.090 120.124 0.966 1 1 591 . 5 1 1 A 62 62 LEU H H 62 8.638 9.005 -0.367 1 1 592 . 5 1 1 A 62 62 LEU HA H 62 4.566 5.078 -0.512 1 1 602 . 5 1 1 A 62 62 LEU C C 62 176.570 175.631 0.939 1 1 603 . 5 1 1 A 62 62 LEU CA C 62 55.130 53.129 2.001 1 1 604 . 5 1 1 A 62 62 LEU CB C 62 43.620 43.681 -0.061 1 1 605 . 5 1 1 A 62 62 LEU N N 62 125.630 120.147 5.483 1 1 606 . 5 1 1 A 63 63 LEU H H 63 8.929 9.294 -0.365 1 1 607 . 5 1 1 A 63 63 LEU HA H 63 4.852 4.635 0.217 1 1 617 . 5 1 1 A 63 63 LEU C C 63 175.070 177.304 -2.234 1 1 618 . 5 1 1 A 63 63 LEU CA C 63 53.170 53.999 -0.829 1 1 619 . 5 1 1 A 63 63 LEU CB C 63 42.110 41.999 0.111 1 1 620 . 5 1 1 A 63 63 LEU N N 63 125.980 123.542 2.438 1 1 621 . 5 1 1 A 64 64 ASP H H 64 8.601 8.905 -0.304 1 1 622 . 5 1 1 A 64 64 ASP HA H 64 4.736 5.050 -0.314 1 1 625 . 5 1 1 A 64 64 ASP C C 64 175.130 175.783 -0.653 1 1 626 . 5 1 1 A 64 64 ASP CA C 64 53.640 53.341 0.299 1 1 627 . 5 1 1 A 64 64 ASP CB C 64 41.020 41.891 -0.871 1 1 628 . 5 1 1 A 64 64 ASP N N 64 120.910 118.745 2.165 1 1 629 . 5 1 1 A 65 65 GLN H H 65 7.497 7.533 -0.036 1 1 630 . 5 1 1 A 65 65 GLN HA H 65 4.856 4.752 0.104 1 1 637 . 5 1 1 A 65 65 GLN C C 65 173.550 175.519 -1.969 1 1 638 . 5 1 1 A 65 65 GLN CA C 65 52.780 53.518 -0.738 1 1 639 . 5 1 1 A 65 65 GLN N N 65 117.420 116.094 1.326 1 1 641 . 5 1 1 A 66 66 PRO HA H 66 4.190 4.614 -0.424 1 1 648 . 5 1 1 A 66 66 PRO C C 66 177.400 176.539 0.861 1 1 649 . 5 1 1 A 66 66 PRO CA C 66 66.810 64.236 2.574 1 1 650 . 5 1 1 A 66 66 PRO CB C 66 32.370 31.987 0.383 1 1 651 . 5 1 1 A 67 67 THR H H 67 7.647 7.498 0.149 1 1 652 . 5 1 1 A 67 67 THR HA H 67 4.811 5.533 -0.722 1 1 657 . 5 1 1 A 67 67 THR C C 67 173.280 173.145 0.135 1 1 658 . 5 1 1 A 67 67 THR CA C 67 62.830 61.370 1.460 1 1 659 . 5 1 1 A 67 67 THR CB C 67 71.740 71.707 0.033 1 1 660 . 5 1 1 A 67 67 THR N N 67 109.270 112.273 -3.003 1 1 661 . 5 1 1 A 68 68 THR H H 68 8.919 9.403 -0.484 1 1 662 . 5 1 1 A 68 68 THR HA H 68 4.968 5.074 -0.106 1 1 667 . 5 1 1 A 68 68 THR C C 68 175.090 173.587 1.503 1 1 668 . 5 1 1 A 68 68 THR CA C 68 61.820 62.052 -0.232 1 1 669 . 5 1 1 A 68 68 THR CB C 68 70.730 70.209 0.521 1 1 670 . 5 1 1 A 68 68 THR N N 68 125.610 123.832 1.778 1 1 671 . 5 1 1 A 69 69 THR H H 69 10.398 8.844 1.554 1 1 672 . 5 1 1 A 69 69 THR HA H 69 4.491 4.751 -0.260 1 1 677 . 5 1 1 A 69 69 THR C C 69 173.140 174.306 -1.166 1 1 678 . 5 1 1 A 69 69 THR CA C 69 61.790 62.207 -0.417 1 1 679 . 5 1 1 A 69 69 THR CB C 69 70.820 70.194 0.626 1 1 680 . 5 1 1 A 69 69 THR N N 69 121.520 122.573 -1.053 1 1 681 . 5 1 1 A 70 70 ALA H H 70 8.722 8.987 -0.265 1 1 682 . 5 1 1 A 70 70 ALA HA H 70 5.696 5.362 0.334 1 1 686 . 5 1 1 A 70 70 ALA C C 70 175.840 176.025 -0.185 1 1 687 . 5 1 1 A 70 70 ALA CA C 70 50.030 50.386 -0.356 1 1 688 . 5 1 1 A 70 70 ALA CB C 70 22.300 22.410 -0.110 1 1 689 . 5 1 1 A 70 70 ALA N N 70 122.410 128.019 -5.609 1 1 690 . 5 1 1 A 71 71 GLY H H 71 8.430 7.736 0.694 1 1 691 . 5 1 1 A 71 71 GLY HA2 H 71 4.474 4.050 0.424 1 1 692 . 5 1 1 A 71 71 GLY HA3 H 71 3.903 4.152 -0.249 1 1 693 . 5 1 1 A 71 71 GLY C C 71 170.540 171.065 -0.525 1 1 694 . 5 1 1 A 71 71 GLY CA C 71 46.300 45.051 1.249 1 1 695 . 5 1 1 A 71 71 GLY N N 71 108.960 108.101 0.859 1 1 696 . 5 1 1 A 72 72 ARG H H 72 8.341 8.963 -0.622 1 1 697 . 5 1 1 A 72 72 ARG HA H 72 4.481 4.551 -0.070 1 1 702 . 5 1 1 A 72 72 ARG C C 72 175.720 174.926 0.794 1 1 703 . 5 1 1 A 72 72 ARG CA C 72 54.800 54.852 -0.052 1 1 704 . 5 1 1 A 72 72 ARG CB C 72 32.540 32.934 -0.394 1 1 705 . 5 1 1 A 72 72 ARG N N 72 120.930 122.768 -1.838 1 1 706 . 5 1 1 A 73 73 HIS H H 73 9.295 8.785 0.510 1 1 707 . 5 1 1 A 73 73 HIS HA H 73 4.403 4.993 -0.590 1 1 712 . 5 1 1 A 73 73 HIS C C 73 176.860 174.243 2.617 1 1 713 . 5 1 1 A 73 73 HIS CA C 73 57.050 55.897 1.153 1 1 714 . 5 1 1 A 73 73 HIS N N 73 125.290 124.292 0.998 1 1 715 . 5 1 1 A 74 74 PRO HA H 74 4.373 4.288 0.085 1 1 722 . 5 1 1 A 74 74 PRO C C 74 177.590 177.690 -0.100 1 1 723 . 5 1 1 A 74 74 PRO CA C 74 64.930 65.036 -0.106 1 1 724 . 5 1 1 A 74 74 PRO CB C 74 32.030 31.846 0.184 1 1 725 . 5 1 1 A 75 75 GLU H H 75 10.575 8.568 2.007 1 1 726 . 5 1 1 A 75 75 GLU HA H 75 4.352 4.304 0.048 1 1 731 . 5 1 1 A 75 75 GLU C C 75 177.320 176.796 0.524 1 1 732 . 5 1 1 A 75 75 GLU CA C 75 56.070 57.164 -1.094 1 1 733 . 5 1 1 A 75 75 GLU CB C 75 29.010 30.062 -1.052 1 1 734 . 5 1 1 A 75 75 GLU N N 75 119.840 117.541 2.299 1 1 735 . 5 1 1 A 76 76 SER H H 76 8.236 7.319 0.917 1 1 736 . 5 1 1 A 76 76 SER HA H 76 4.100 4.589 -0.489 1 1 739 . 5 1 1 A 76 76 SER C C 76 173.120 174.492 -1.372 1 1 740 . 5 1 1 A 76 76 SER CA C 76 60.160 59.815 0.345 1 1 741 . 5 1 1 A 76 76 SER CB C 76 65.530 63.173 2.357 1 1 742 . 5 1 1 A 76 76 SER N N 76 118.860 116.643 2.217 1 1 743 . 5 1 1 A 77 77 ASP H H 77 8.541 8.756 -0.215 1 1 744 . 5 1 1 A 77 77 ASP HA H 77 4.344 4.291 0.053 1 1 747 . 5 1 1 A 77 77 ASP C C 77 177.590 176.221 1.369 1 1 748 . 5 1 1 A 77 77 ASP CA C 77 58.380 57.042 1.338 1 1 749 . 5 1 1 A 77 77 ASP CB C 77 42.110 40.458 1.652 1 1 750 . 5 1 1 A 77 77 ASP N N 77 126.720 126.590 0.130 1 1 751 . 5 1 1 A 78 78 ILE H H 78 8.571 6.998 1.573 1 1 752 . 5 1 1 A 78 78 ILE HA H 78 3.563 4.161 -0.598 1 1 762 . 5 1 1 A 78 78 ILE C C 78 172.930 174.428 -1.498 1 1 763 . 5 1 1 A 78 78 ILE CA C 78 60.880 59.942 0.938 1 1 764 . 5 1 1 A 78 78 ILE CB C 78 37.410 38.808 -1.398 1 1 765 . 5 1 1 A 78 78 ILE N N 78 120.210 114.421 5.789 1 1 766 . 5 1 1 A 79 79 PHE H H 79 8.018 9.079 -1.061 1 1 767 . 5 1 1 A 79 79 PHE HA H 79 5.018 5.183 -0.165 1 1 775 . 5 1 1 A 79 79 PHE C C 79 174.130 173.832 0.298 1 1 776 . 5 1 1 A 79 79 PHE CA C 79 55.780 56.371 -0.591 1 1 777 . 5 1 1 A 79 79 PHE CB C 79 39.170 41.111 -1.941 1 1 778 . 5 1 1 A 79 79 PHE N N 79 127.300 127.419 -0.119 1 1 779 . 5 1 1 A 80 80 LEU H H 80 7.695 8.855 -1.160 1 1 780 . 5 1 1 A 80 80 LEU HA H 80 3.619 5.153 -1.534 1 1 790 . 5 1 1 A 80 80 LEU C C 80 173.720 174.446 -0.726 1 1 791 . 5 1 1 A 80 80 LEU CA C 80 52.340 53.110 -0.770 1 1 792 . 5 1 1 A 80 80 LEU CB C 80 41.770 44.001 -2.231 1 1 793 . 5 1 1 A 80 80 LEU N N 80 131.810 127.829 3.981 1 1 794 . 5 1 1 A 81 81 ASP H H 81 7.974 9.279 -1.305 1 1 795 . 5 1 1 A 81 81 ASP HA H 81 4.141 5.463 -1.322 1 1 798 . 5 1 1 A 81 81 ASP C C 81 175.130 174.516 0.614 1 1 799 . 5 1 1 A 81 81 ASP CA C 81 53.210 52.996 0.214 1 1 800 . 5 1 1 A 81 81 ASP CB C 81 39.930 44.739 -4.809 1 1 801 . 5 1 1 A 81 81 ASP N N 81 121.130 125.544 -4.414 1 1 802 . 5 1 1 A 82 82 ASP H H 82 7.583 8.639 -1.056 1 1 803 . 5 1 1 A 82 82 ASP HA H 82 4.859 4.967 -0.108 1 1 806 . 5 1 1 A 82 82 ASP C C 82 176.760 175.018 1.742 1 1 807 . 5 1 1 A 82 82 ASP CA C 82 54.980 52.996 1.984 1 1 808 . 5 1 1 A 82 82 ASP CB C 82 39.170 44.083 -4.913 1 1 809 . 5 1 1 A 82 82 ASP N N 82 121.540 124.447 -2.907 1 1 810 . 5 1 1 A 83 83 VAL H H 83 8.344 8.285 0.059 1 1 811 . 5 1 1 A 83 83 VAL HA H 83 4.012 3.855 0.157 1 1 819 . 5 1 1 A 83 83 VAL C C 83 174.860 176.624 -1.764 1 1 820 . 5 1 1 A 83 83 VAL CA C 83 65.330 64.643 0.687 1 1 821 . 5 1 1 A 83 83 VAL CB C 83 31.530 31.994 -0.464 1 1 822 . 5 1 1 A 83 83 VAL N N 83 122.260 120.819 1.441 1 1 823 . 5 1 1 A 84 84 THR H H 84 8.268 7.727 0.541 1 1 824 . 5 1 1 A 84 84 THR HA H 84 4.540 4.930 -0.390 1 1 828 . 5 1 1 A 84 84 THR C C 84 175.360 173.193 2.167 1 1 829 . 5 1 1 A 84 84 THR CA C 84 63.810 61.795 2.015 1 1 830 . 5 1 1 A 84 84 THR CB C 84 70.900 70.933 -0.033 1 1 831 . 5 1 1 A 84 84 THR N N 84 110.620 113.605 -2.985 1 1 832 . 5 1 1 A 85 85 VAL H H 85 8.579 8.984 -0.405 1 1 833 . 5 1 1 A 85 85 VAL HA H 85 4.254 4.688 -0.434 1 1 841 . 5 1 1 A 85 85 VAL C C 85 177.070 175.375 1.695 1 1 842 . 5 1 1 A 85 85 VAL CA C 85 61.930 60.861 1.069 1 1 843 . 5 1 1 A 85 85 VAL CB C 85 32.450 34.196 -1.746 1 1 844 . 5 1 1 A 85 85 VAL N N 85 126.860 128.133 -1.273 1 1 845 . 5 1 1 A 86 86 SER H H 86 11.668 8.825 2.843 1 1 846 . 5 1 1 A 86 86 SER HA H 86 5.203 4.752 0.451 1 1 849 . 5 1 1 A 86 86 SER C C 86 175.470 175.526 -0.056 1 1 850 . 5 1 1 A 86 86 SER CA C 86 61.600 58.553 3.047 1 1 851 . 5 1 1 A 86 86 SER CB C 86 64.270 63.317 0.953 1 1 852 . 5 1 1 A 86 86 SER N N 86 128.670 121.019 7.651 1 1 853 . 5 1 1 A 87 87 ARG H H 87 10.946 8.941 2.005 1 1 854 . 5 1 1 A 87 87 ARG HA H 87 5.179 4.685 0.494 1 1 862 . 5 1 1 A 87 87 ARG C C 87 177.110 176.128 0.982 1 1 863 . 5 1 1 A 87 87 ARG CA C 87 60.810 58.462 2.348 1 1 864 . 5 1 1 A 87 87 ARG CB C 87 29.010 29.570 -0.560 1 1 865 . 5 1 1 A 87 87 ARG N N 87 126.810 124.424 2.386 1 1 867 . 5 1 1 A 88 88 ARG H H 88 7.946 7.015 0.931 1 1 868 . 5 1 1 A 88 88 ARG HA H 88 4.459 4.496 -0.037 1 1 876 . 5 1 1 A 88 88 ARG C C 88 172.990 175.778 -2.788 1 1 877 . 5 1 1 A 88 88 ARG CA C 88 55.060 54.820 0.240 1 1 878 . 5 1 1 A 88 88 ARG CB C 88 29.770 32.010 -2.240 1 1 879 . 5 1 1 A 88 88 ARG N N 88 115.670 116.032 -0.362 1 1 881 . 5 1 1 A 89 89 HIS H H 89 7.613 8.739 -1.126 1 1 882 . 5 1 1 A 89 89 HIS HA H 89 4.437 4.412 0.025 1 1 888 . 5 1 1 A 89 89 HIS C C 89 174.050 174.930 -0.880 1 1 889 . 5 1 1 A 89 89 HIS CA C 89 58.420 58.534 -0.114 1 1 890 . 5 1 1 A 89 89 HIS CB C 89 32.620 31.458 1.162 1 1 891 . 5 1 1 A 89 89 HIS N N 89 124.000 122.244 1.756 1 1 893 . 5 1 1 A 90 90 ALA H H 90 8.454 7.269 1.185 1 1 894 . 5 1 1 A 90 90 ALA HA H 90 5.529 4.606 0.923 1 1 898 . 5 1 1 A 90 90 ALA C C 90 176.260 175.106 1.154 1 1 899 . 5 1 1 A 90 90 ALA CA C 90 50.240 51.478 -1.238 1 1 900 . 5 1 1 A 90 90 ALA CB C 90 23.220 22.848 0.372 1 1 901 . 5 1 1 A 90 90 ALA N N 90 116.480 118.154 -1.674 1 1 902 . 5 1 1 A 91 91 GLU H H 91 9.216 9.012 0.204 1 1 903 . 5 1 1 A 91 91 GLU HA H 91 4.931 5.176 -0.245 1 1 908 . 5 1 1 A 91 91 GLU C C 91 173.910 174.452 -0.542 1 1 909 . 5 1 1 A 91 91 GLU CA C 91 54.690 54.602 0.088 1 1 910 . 5 1 1 A 91 91 GLU CB C 91 34.720 33.879 0.841 1 1 911 . 5 1 1 A 91 91 GLU N N 91 118.140 116.553 1.587 1 1 912 . 5 1 1 A 92 92 PHE H H 92 9.330 9.427 -0.097 1 1 913 . 5 1 1 A 92 92 PHE HA H 92 5.502 5.350 0.152 1 1 921 . 5 1 1 A 92 92 PHE C C 92 176.650 175.343 1.307 1 1 922 . 5 1 1 A 92 92 PHE CA C 92 56.760 56.682 0.078 1 1 923 . 5 1 1 A 92 92 PHE CB C 92 41.690 41.147 0.543 1 1 924 . 5 1 1 A 92 92 PHE N N 92 119.490 120.461 -0.971 1 1 925 . 5 1 1 A 93 93 ARG H H 93 9.846 9.345 0.501 1 1 926 . 5 1 1 A 93 93 ARG HA H 93 5.610 5.317 0.293 1 1 934 . 5 1 1 A 93 93 ARG C C 93 175.010 175.111 -0.101 1 1 935 . 5 1 1 A 93 93 ARG CA C 93 54.580 55.010 -0.430 1 1 936 . 5 1 1 A 93 93 ARG CB C 93 34.220 32.547 1.673 1 1 937 . 5 1 1 A 93 93 ARG N N 93 127.300 122.038 5.262 1 1 939 . 5 1 1 A 94 94 ILE H H 94 8.521 9.459 -0.938 1 1 940 . 5 1 1 A 94 94 ILE HA H 94 4.410 5.169 -0.759 1 1 950 . 5 1 1 A 94 94 ILE C C 94 176.420 174.696 1.724 1 1 951 . 5 1 1 A 94 94 ILE CA C 94 61.130 60.423 0.707 1 1 952 . 5 1 1 A 94 94 ILE CB C 94 38.830 39.159 -0.329 1 1 953 . 5 1 1 A 94 94 ILE N N 94 121.680 125.039 -3.359 1 1 954 . 5 1 1 A 95 95 ASN H H 95 8.847 9.046 -0.199 1 1 955 . 5 1 1 A 95 95 ASN HA H 95 4.796 5.009 -0.213 1 1 960 . 5 1 1 A 95 95 ASN C C 95 174.430 174.113 0.317 1 1 961 . 5 1 1 A 95 95 ASN CA C 95 52.560 52.751 -0.191 1 1 962 . 5 1 1 A 95 95 ASN CB C 95 40.510 40.855 -0.345 1 1 963 . 5 1 1 A 95 95 ASN N N 95 127.100 124.720 2.380 1 1 965 . 5 1 1 A 96 96 GLU H H 96 9.303 9.405 -0.102 1 1 966 . 5 1 1 A 96 96 GLU HA H 96 3.768 4.005 -0.237 1 1 971 . 5 1 1 A 96 96 GLU C C 96 176.280 176.402 -0.122 1 1 972 . 5 1 1 A 96 96 GLU CA C 96 57.150 57.492 -0.342 1 1 973 . 5 1 1 A 96 96 GLU CB C 96 27.590 27.905 -0.315 1 1 974 . 5 1 1 A 96 96 GLU N N 96 125.150 126.827 -1.677 1 1 975 . 5 1 1 A 97 97 GLY H H 97 7.937 8.494 -0.557 1 1 976 . 5 1 1 A 97 97 GLY HA2 H 97 4.042 3.627 0.415 1 1 977 . 5 1 1 A 97 97 GLY HA3 H 97 3.450 3.737 -0.287 1 1 978 . 5 1 1 A 97 97 GLY C C 97 172.990 173.418 -0.428 1 1 979 . 5 1 1 A 97 97 GLY CA C 97 45.390 45.136 0.254 1 1 980 . 5 1 1 A 97 97 GLY N N 97 104.330 104.723 -0.393 1 1 981 . 5 1 1 A 98 98 GLU H H 98 7.557 7.850 -0.293 1 1 982 . 5 1 1 A 98 98 GLU HA H 98 4.591 4.489 0.102 1 1 987 . 5 1 1 A 98 98 GLU C C 98 174.530 175.338 -0.808 1 1 988 . 5 1 1 A 98 98 GLU CA C 98 54.770 55.319 -0.549 1 1 989 . 5 1 1 A 98 98 GLU CB C 98 32.290 31.203 1.087 1 1 990 . 5 1 1 A 98 98 GLU N N 98 119.350 119.872 -0.522 1 1 991 . 5 1 1 A 99 99 PHE H H 99 9.412 9.014 0.398 1 1 992 . 5 1 1 A 99 99 PHE HA H 99 5.007 5.240 -0.233 1 1 999 . 5 1 1 A 99 99 PHE C C 99 174.050 175.355 -1.305 1 1 1000 . 5 1 1 A 99 99 PHE CA C 99 57.260 56.868 0.392 1 1 1001 . 5 1 1 A 99 99 PHE CB C 99 42.110 41.189 0.921 1 1 1002 . 5 1 1 A 99 99 PHE N N 99 122.550 121.980 0.570 1 1 1003 . 5 1 1 A 100 100 GLU H H 100 9.444 9.492 -0.048 1 1 1004 . 5 1 1 A 100 100 GLU HA H 100 5.145 5.044 0.101 1 1 1009 . 5 1 1 A 100 100 GLU C C 100 175.340 174.509 0.831 1 1 1010 . 5 1 1 A 100 100 GLU CA C 100 54.080 54.583 -0.503 1 1 1011 . 5 1 1 A 100 100 GLU CB C 100 34.720 33.523 1.197 1 1 1012 . 5 1 1 A 100 100 GLU N N 100 124.080 120.781 3.299 1 1 1013 . 5 1 1 A 101 101 VAL H H 101 8.726 8.708 0.018 1 1 1014 . 5 1 1 A 101 101 VAL HA H 101 4.900 4.682 0.218 1 1 1022 . 5 1 1 A 101 101 VAL C C 101 172.510 175.250 -2.740 1 1 1023 . 5 1 1 A 101 101 VAL CA C 101 58.710 61.080 -2.370 1 1 1024 . 5 1 1 A 101 101 VAL CB C 101 33.550 32.893 0.657 1 1 1025 . 5 1 1 A 101 101 VAL N N 101 124.500 123.172 1.328 1 1 1026 . 5 1 1 A 102 102 VAL H H 102 8.719 9.231 -0.512 1 1 1027 . 5 1 1 A 102 102 VAL HA H 102 4.578 4.830 -0.252 1 1 1035 . 5 1 1 A 102 102 VAL C C 102 175.380 173.976 1.404 1 1 1036 . 5 1 1 A 102 102 VAL CA C 102 60.370 59.252 1.118 1 1 1037 . 5 1 1 A 102 102 VAL CB C 102 36.060 34.732 1.328 1 1 1038 . 5 1 1 A 102 102 VAL N N 102 125.900 121.742 4.158 1 1 1039 . 5 1 1 A 103 103 ASP H H 103 8.626 9.052 -0.426 1 1 1040 . 5 1 1 A 103 103 ASP HA H 103 4.856 4.719 0.137 1 1 1043 . 5 1 1 A 103 103 ASP C C 103 177.300 176.929 0.371 1 1 1044 . 5 1 1 A 103 103 ASP CA C 103 54.580 54.461 0.119 1 1 1045 . 5 1 1 A 103 103 ASP CB C 103 44.210 41.519 2.691 1 1 1046 . 5 1 1 A 103 103 ASP N N 103 127.250 125.982 1.268 1 1 1047 . 5 1 1 A 104 104 VAL H H 104 7.890 8.397 -0.507 1 1 1048 . 5 1 1 A 104 104 VAL HA H 104 4.527 4.518 0.009 1 1 1056 . 5 1 1 A 104 104 VAL C C 104 174.490 175.364 -0.874 1 1 1057 . 5 1 1 A 104 104 VAL CA C 104 60.630 60.705 -0.075 1 1 1058 . 5 1 1 A 104 104 VAL CB C 104 29.350 31.658 -2.308 1 1 1059 . 5 1 1 A 104 104 VAL N N 104 119.270 121.248 -1.978 1 1 1060 . 5 1 1 A 105 105 GLY H H 105 8.690 8.096 0.594 1 1 1061 . 5 1 1 A 105 105 GLY HA2 H 105 4.270 3.983 0.287 1 1 1062 . 5 1 1 A 105 105 GLY HA3 H 105 3.685 3.992 -0.307 1 1 1063 . 5 1 1 A 105 105 GLY C C 105 175.490 174.648 0.842 1 1 1064 . 5 1 1 A 105 105 GLY CA C 105 45.650 45.156 0.494 1 1 1065 . 5 1 1 A 105 105 GLY N N 105 111.790 109.851 1.939 1 1 1066 . 5 1 1 A 106 106 SER H H 106 9.218 8.131 1.087 1 1 1067 . 5 1 1 A 106 106 SER HA H 106 3.894 4.354 -0.460 1 1 1070 . 5 1 1 A 106 106 SER C C 106 174.590 174.289 0.301 1 1 1071 . 5 1 1 A 106 106 SER CA C 106 58.600 57.806 0.794 1 1 1072 . 5 1 1 A 106 106 SER CB C 106 61.250 63.887 -2.637 1 1 1073 . 5 1 1 A 106 106 SER N N 106 121.540 115.146 6.394 1 1 1074 . 5 1 1 A 107 107 LEU H H 107 8.018 8.394 -0.376 1 1 1075 . 5 1 1 A 107 107 LEU HA H 107 4.240 4.239 0.001 1 1 1085 . 5 1 1 A 107 107 LEU C C 107 179.420 178.092 1.328 1 1 1086 . 5 1 1 A 107 107 LEU CA C 107 57.590 54.750 2.840 1 1 1087 . 5 1 1 A 107 107 LEU CB C 107 42.360 42.309 0.051 1 1 1088 . 5 1 1 A 107 107 LEU N N 107 121.520 122.073 -0.553 1 1 1089 . 5 1 1 A 108 108 ASN H H 108 8.799 7.693 1.106 1 1 1090 . 5 1 1 A 108 108 ASN HA H 108 4.986 4.647 0.339 1 1 1093 . 5 1 1 A 108 108 ASN C C 108 175.950 176.108 -0.158 1 1 1094 . 5 1 1 A 108 108 ASN CA C 108 54.440 53.051 1.389 1 1 1095 . 5 1 1 A 108 108 ASN CB C 108 41.180 39.172 2.008 1 1 1096 . 5 1 1 A 108 108 ASN N N 108 111.800 114.657 -2.857 1 1 1097 . 5 1 1 A 109 109 GLY H H 109 8.025 7.660 0.365 1 1 1098 . 5 1 1 A 109 109 GLY HA2 H 109 4.237 3.733 0.504 1 1 1099 . 5 1 1 A 109 109 GLY HA3 H 109 3.621 3.823 -0.202 1 1 1100 . 5 1 1 A 109 109 GLY C C 109 173.820 173.208 0.612 1 1 1101 . 5 1 1 A 109 109 GLY CA C 109 44.340 44.697 -0.357 1 1 1102 . 5 1 1 A 109 109 GLY N N 109 110.600 106.256 4.344 1 1 1103 . 5 1 1 A 110 110 THR H H 110 8.770 8.670 0.100 1 1 1104 . 5 1 1 A 110 110 THR HA H 110 4.797 4.953 -0.156 1 1 1109 . 5 1 1 A 110 110 THR C C 110 172.570 173.729 -1.159 1 1 1110 . 5 1 1 A 110 110 THR CA C 110 64.540 63.210 1.330 1 1 1111 . 5 1 1 A 110 110 THR CB C 110 70.230 69.397 0.833 1 1 1112 . 5 1 1 A 110 110 THR N N 110 121.240 118.474 2.766 1 1 1113 . 5 1 1 A 111 111 TYR H H 111 8.272 9.148 -0.876 1 1 1114 . 5 1 1 A 111 111 TYR HA H 111 5.155 5.547 -0.392 1 1 1121 . 5 1 1 A 111 111 TYR C C 111 175.860 174.436 1.424 1 1 1122 . 5 1 1 A 111 111 TYR CA C 111 55.820 56.754 -0.934 1 1 1123 . 5 1 1 A 111 111 TYR CB C 111 41.100 41.313 -0.213 1 1 1124 . 5 1 1 A 111 111 TYR N N 111 123.680 126.166 -2.486 1 1 1125 . 5 1 1 A 112 112 VAL H H 112 9.017 8.998 0.019 1 1 1126 . 5 1 1 A 112 112 VAL HA H 112 4.951 4.540 0.411 1 1 1134 . 5 1 1 A 112 112 VAL C C 112 176.780 176.002 0.778 1 1 1135 . 5 1 1 A 112 112 VAL CA C 112 61.130 61.126 0.004 1 1 1136 . 5 1 1 A 112 112 VAL CB C 112 32.870 33.370 -0.500 1 1 1137 . 5 1 1 A 112 112 VAL N N 112 121.300 123.690 -2.390 1 1 1138 . 5 1 1 A 113 113 ASN H H 113 10.285 10.286 -0.001 1 1 1139 . 5 1 1 A 113 113 ASN HA H 113 4.483 4.458 0.025 1 1 1144 . 5 1 1 A 113 113 ASN C C 113 174.590 174.429 0.161 1 1 1145 . 5 1 1 A 113 113 ASN CA C 113 55.160 54.788 0.372 1 1 1146 . 5 1 1 A 113 113 ASN CB C 113 37.240 36.857 0.383 1 1 1147 . 5 1 1 A 113 113 ASN N N 113 129.510 127.248 2.262 1 1 1149 . 5 1 1 A 114 114 ARG H H 114 9.459 8.581 0.878 1 1 1150 . 5 1 1 A 114 114 ARG HA H 114 3.659 3.920 -0.261 1 1 1158 . 5 1 1 A 114 114 ARG C C 114 174.900 174.997 -0.097 1 1 1159 . 5 1 1 A 114 114 ARG CA C 114 58.280 57.645 0.635 1 1 1160 . 5 1 1 A 114 114 ARG CB C 114 27.250 27.517 -0.267 1 1 1161 . 5 1 1 A 114 114 ARG N N 114 106.570 109.066 -2.496 1 1 1163 . 5 1 1 A 115 115 GLU H H 115 7.827 7.997 -0.170 1 1 1164 . 5 1 1 A 115 115 GLU HA H 115 5.153 4.877 0.276 1 1 1169 . 5 1 1 A 115 115 GLU C C 115 173.950 174.391 -0.441 1 1 1170 . 5 1 1 A 115 115 GLU CA C 115 52.990 53.210 -0.220 1 1 1171 . 5 1 1 A 115 115 GLU N N 115 119.780 118.643 1.137 1 1 1172 . 5 1 1 A 116 116 PRO HA H 116 3.983 3.922 0.061 1 1 1177 . 5 1 1 A 116 116 PRO C C 116 177.780 175.177 2.603 1 1 1178 . 5 1 1 A 116 116 PRO CA C 116 62.910 63.022 -0.112 1 1 1179 . 5 1 1 A 116 116 PRO CB C 116 31.200 31.793 -0.593 1 1 1180 . 5 1 1 A 117 117 ARG H H 117 8.414 8.511 -0.097 1 1 1181 . 5 1 1 A 117 117 ARG HA H 117 4.699 4.677 0.022 1 1 1189 . 5 1 1 A 117 117 ARG C C 117 175.260 175.692 -0.432 1 1 1190 . 5 1 1 A 117 117 ARG CA C 117 52.990 55.033 -2.043 1 1 1191 . 5 1 1 A 117 117 ARG CB C 117 24.560 32.978 -8.418 1 1 1192 . 5 1 1 A 117 117 ARG N N 117 121.900 123.918 -2.018 1 1 1194 . 5 1 1 A 118 118 ASN H H 118 8.741 8.925 -0.184 1 1 1195 . 5 1 1 A 118 118 ASN HA H 118 4.731 4.725 0.006 1 1 1200 . 5 1 1 A 118 118 ASN C C 118 175.220 173.855 1.365 1 1 1201 . 5 1 1 A 118 118 ASN CA C 118 55.090 54.931 0.159 1 1 1202 . 5 1 1 A 118 118 ASN CB C 118 38.920 39.449 -0.529 1 1 1203 . 5 1 1 A 118 118 ASN N N 118 120.190 122.740 -2.550 1 1 1205 . 5 1 1 A 119 119 ALA H H 119 7.372 7.806 -0.434 1 1 1206 . 5 1 1 A 119 119 ALA HA H 119 5.319 4.958 0.361 1 1 1210 . 5 1 1 A 119 119 ALA C C 119 176.720 174.904 1.816 1 1 1211 . 5 1 1 A 119 119 ALA CA C 119 52.120 50.771 1.349 1 1 1212 . 5 1 1 A 119 119 ALA CB C 119 21.460 22.842 -1.382 1 1 1213 . 5 1 1 A 119 119 ALA N N 119 120.380 119.555 0.825 1 1 1214 . 5 1 1 A 120 120 GLN H H 120 8.787 8.654 0.133 1 1 1215 . 5 1 1 A 120 120 GLN HA H 120 4.505 4.588 -0.083 1 1 1222 . 5 1 1 A 120 120 GLN C C 120 174.380 174.186 0.194 1 1 1223 . 5 1 1 A 120 120 GLN CA C 120 56.030 54.966 1.064 1 1 1224 . 5 1 1 A 120 120 GLN CB C 120 32.790 32.848 -0.058 1 1 1225 . 5 1 1 A 120 120 GLN N N 120 121.180 121.614 -0.434 1 1 1227 . 5 1 1 A 121 121 VAL H H 121 8.692 8.637 0.055 1 1 1228 . 5 1 1 A 121 121 VAL HA H 121 4.258 4.229 0.029 1 1 1236 . 5 1 1 A 121 121 VAL C C 121 176.510 175.764 0.746 1 1 1237 . 5 1 1 A 121 121 VAL CA C 121 64.140 62.399 1.741 1 1 1238 . 5 1 1 A 121 121 VAL CB C 121 31.700 32.285 -0.585 1 1 1239 . 5 1 1 A 121 121 VAL N N 121 129.930 126.221 3.709 1 1 1240 . 5 1 1 A 122 122 MET H H 122 8.924 9.146 -0.222 1 1 1241 . 5 1 1 A 122 122 MET HA H 122 4.419 5.065 -0.646 1 1 1249 . 5 1 1 A 122 122 MET C C 122 174.380 175.576 -1.196 1 1 1250 . 5 1 1 A 122 122 MET CA C 122 55.740 53.969 1.771 1 1 1251 . 5 1 1 A 122 122 MET CB C 122 35.140 33.170 1.970 1 1 1252 . 5 1 1 A 122 122 MET N N 122 129.560 125.947 3.613 1 1 1253 . 5 1 1 A 123 123 GLN H H 123 9.002 9.492 -0.490 1 1 1254 . 5 1 1 A 123 123 GLN HA H 123 4.823 5.083 -0.260 1 1 1261 . 5 1 1 A 123 123 GLN C C 123 175.530 174.817 0.713 1 1 1262 . 5 1 1 A 123 123 GLN CA C 123 53.570 54.061 -0.491 1 1 1263 . 5 1 1 A 123 123 GLN CB C 123 32.290 32.279 0.011 1 1 1264 . 5 1 1 A 123 123 GLN N N 123 119.810 118.798 1.012 1 1 1266 . 5 1 1 A 124 124 THR H H 124 9.036 8.586 0.450 1 1 1267 . 5 1 1 A 124 124 THR HA H 124 4.208 4.169 0.039 1 1 1272 . 5 1 1 A 124 124 THR C C 124 175.300 175.691 -0.391 1 1 1273 . 5 1 1 A 124 124 THR CA C 124 65.510 63.873 1.637 1 1 1274 . 5 1 1 A 124 124 THR CB C 124 69.560 68.733 0.827 1 1 1275 . 5 1 1 A 124 124 THR N N 124 119.570 117.259 2.311 1 1 1276 . 5 1 1 A 125 125 GLY H H 125 9.921 9.445 0.476 1 1 1277 . 5 1 1 A 125 125 GLY HA2 H 125 4.552 4.030 0.522 1 1 1278 . 5 1 1 A 125 125 GLY HA3 H 125 3.480 4.031 -0.551 1 1 1279 . 5 1 1 A 125 125 GLY C C 125 174.650 174.267 0.383 1 1 1280 . 5 1 1 A 125 125 GLY CA C 125 44.710 45.024 -0.314 1 1 1281 . 5 1 1 A 125 125 GLY N N 125 117.920 117.214 0.706 1 1 1282 . 5 1 1 A 126 126 ASP H H 126 8.638 7.947 0.691 1 1 1283 . 5 1 1 A 126 126 ASP HA H 126 4.876 4.768 0.108 1 1 1286 . 5 1 1 A 126 126 ASP C C 126 174.650 174.933 -0.283 1 1 1287 . 5 1 1 A 126 126 ASP CA C 126 56.140 54.895 1.245 1 1 1288 . 5 1 1 A 126 126 ASP CB C 126 41.690 41.760 -0.070 1 1 1289 . 5 1 1 A 126 126 ASP N N 126 123.190 121.414 1.776 1 1 1290 . 5 1 1 A 127 127 GLU H H 127 8.316 8.637 -0.321 1 1 1291 . 5 1 1 A 127 127 GLU HA H 127 5.341 5.383 -0.042 1 1 1296 . 5 1 1 A 127 127 GLU C C 127 175.990 175.424 0.566 1 1 1297 . 5 1 1 A 127 127 GLU CA C 127 54.440 54.843 -0.403 1 1 1298 . 5 1 1 A 127 127 GLU CB C 127 32.790 32.734 0.056 1 1 1299 . 5 1 1 A 127 127 GLU N N 127 118.480 122.052 -3.572 1 1 1300 . 5 1 1 A 128 128 ILE H H 128 9.910 9.519 0.391 1 1 1301 . 5 1 1 A 128 128 ILE HA H 128 5.334 4.656 0.678 1 1 1311 . 5 1 1 A 128 128 ILE C C 128 174.700 174.424 0.276 1 1 1312 . 5 1 1 A 128 128 ILE CA C 128 59.470 60.274 -0.804 1 1 1313 . 5 1 1 A 128 128 ILE CB C 128 40.600 38.841 1.759 1 1 1314 . 5 1 1 A 128 128 ILE N N 128 128.810 124.907 3.903 1 1 1315 . 5 1 1 A 129 129 GLN H H 129 9.502 9.651 -0.149 1 1 1316 . 5 1 1 A 129 129 GLN HA H 129 5.406 5.613 -0.207 1 1 1323 . 5 1 1 A 129 129 GLN C C 129 174.950 174.535 0.415 1 1 1324 . 5 1 1 A 129 129 GLN CA C 129 54.800 54.452 0.348 1 1 1325 . 5 1 1 A 129 129 GLN CB C 129 30.690 31.382 -0.692 1 1 1326 . 5 1 1 A 129 129 GLN N N 129 129.270 128.663 0.607 1 1 1328 . 5 1 1 A 130 130 ILE H H 130 8.498 8.911 -0.413 1 1 1329 . 5 1 1 A 130 130 ILE HA H 130 4.116 4.456 -0.340 1 1 1339 . 5 1 1 A 130 130 ILE C C 130 174.860 176.346 -1.486 1 1 1340 . 5 1 1 A 130 130 ILE CA C 130 60.740 60.090 0.650 1 1 1341 . 5 1 1 A 130 130 ILE CB C 130 41.440 38.668 2.772 1 1 1342 . 5 1 1 A 130 130 ILE N N 130 129.070 128.001 1.069 1 1 1343 . 5 1 1 A 131 131 GLY H H 131 9.924 9.058 0.866 1 1 1344 . 5 1 1 A 131 131 GLY HA2 H 131 3.768 3.908 -0.140 1 1 1345 . 5 1 1 A 131 131 GLY HA3 H 131 3.337 4.035 -0.698 1 1 1346 . 5 1 1 A 131 131 GLY C C 131 174.590 174.430 0.160 1 1 1347 . 5 1 1 A 131 131 GLY CA C 131 46.700 47.438 -0.738 1 1 1348 . 5 1 1 A 131 131 GLY N N 131 116.470 118.286 -1.816 1 1 1349 . 5 1 1 A 132 132 LYS H H 132 7.141 8.742 -1.601 1 1 1350 . 5 1 1 A 132 132 LYS HA H 132 3.750 4.555 -0.805 1 1 1357 . 5 1 1 A 132 132 LYS C C 132 175.820 175.976 -0.156 1 1 1358 . 5 1 1 A 132 132 LYS CA C 132 57.550 55.676 1.874 1 1 1359 . 5 1 1 A 132 132 LYS CB C 132 33.300 33.487 -0.187 1 1 1360 . 5 1 1 A 132 132 LYS N N 132 122.960 120.506 2.454 1 1 1361 . 5 1 1 A 133 133 PHE H H 133 8.360 7.902 0.458 1 1 1362 . 5 1 1 A 133 133 PHE HA H 133 4.601 5.378 -0.777 1 1 1370 . 5 1 1 A 133 133 PHE C C 133 174.910 174.986 -0.076 1 1 1371 . 5 1 1 A 133 133 PHE CA C 133 58.600 56.746 1.854 1 1 1372 . 5 1 1 A 133 133 PHE CB C 133 40.510 41.598 -1.088 1 1 1373 . 5 1 1 A 133 133 PHE N N 133 118.170 120.037 -1.867 1 1 1374 . 5 1 1 A 134 134 ARG H H 134 8.698 8.966 -0.268 1 1 1375 . 5 1 1 A 134 134 ARG HA H 134 5.212 5.332 -0.120 1 1 1383 . 5 1 1 A 134 134 ARG C C 134 175.150 175.057 0.093 1 1 1384 . 5 1 1 A 134 134 ARG CA C 134 55.060 54.969 0.091 1 1 1385 . 5 1 1 A 134 134 ARG CB C 134 33.550 32.493 1.057 1 1 1386 . 5 1 1 A 134 134 ARG N N 134 120.770 121.032 -0.262 1 1 1388 . 5 1 1 A 135 135 LEU H H 135 9.904 9.543 0.361 1 1 1389 . 5 1 1 A 135 135 LEU HA H 135 5.544 5.303 0.241 1 1 1399 . 5 1 1 A 135 135 LEU C C 135 175.260 175.885 -0.625 1 1 1400 . 5 1 1 A 135 135 LEU CA C 135 53.930 53.547 0.383 1 1 1401 . 5 1 1 A 135 135 LEU CB C 135 45.550 43.695 1.855 1 1 1402 . 5 1 1 A 135 135 LEU N N 135 127.130 125.514 1.616 1 1 1403 . 5 1 1 A 136 136 VAL H H 136 9.350 9.627 -0.277 1 1 1404 . 5 1 1 A 136 136 VAL HA H 136 5.226 4.810 0.416 1 1 1412 . 5 1 1 A 136 136 VAL C C 136 174.050 174.277 -0.227 1 1 1413 . 5 1 1 A 136 136 VAL CA C 136 60.520 61.119 -0.599 1 1 1414 . 5 1 1 A 136 136 VAL CB C 136 34.890 33.446 1.444 1 1 1415 . 5 1 1 A 136 136 VAL N N 136 121.300 124.381 -3.081 1 1 1416 . 5 1 1 A 137 137 PHE H H 137 8.492 9.487 -0.995 1 1 1417 . 5 1 1 A 137 137 PHE HA H 137 5.007 5.116 -0.109 1 1 1424 . 5 1 1 A 137 137 PHE C C 137 173.340 173.933 -0.593 1 1 1425 . 5 1 1 A 137 137 PHE CA C 137 57.010 56.311 0.699 1 1 1426 . 5 1 1 A 137 137 PHE CB C 137 41.770 40.908 0.862 1 1 1427 . 5 1 1 A 137 137 PHE N N 137 127.550 128.892 -1.342 1 1 1428 . 5 1 1 A 138 138 LEU H H 138 8.535 8.852 -0.317 1 1 1429 . 5 1 1 A 138 138 LEU HA H 138 4.345 4.738 -0.393 1 1 1439 . 5 1 1 A 138 138 LEU C C 138 173.390 175.201 -1.811 1 1 1440 . 5 1 1 A 138 138 LEU CA C 138 53.680 53.225 0.455 1 1 1441 . 5 1 1 A 138 138 LEU CB C 138 45.210 45.769 -0.559 1 1 1442 . 5 1 1 A 138 138 LEU N N 138 128.590 128.183 0.407 1 1 1443 . 5 1 1 A 139 139 ALA H H 139 7.502 9.131 -1.629 1 1 1444 . 5 1 1 A 139 139 ALA HA H 139 3.952 4.589 -0.637 1 1 1448 . 5 1 1 A 139 139 ALA C C 139 178.010 177.248 0.762 1 1 1449 . 5 1 1 A 139 139 ALA CA C 139 51.650 50.958 0.692 1 1 1450 . 5 1 1 A 139 139 ALA CB C 139 20.700 19.745 0.955 1 1 1451 . 5 1 1 A 139 139 ALA N N 139 123.250 127.327 -4.077 1 1 1452 . 5 1 1 A 140 140 GLY H H 140 7.968 8.431 -0.463 1 1 1453 . 5 1 1 A 140 140 GLY HA2 H 140 4.202 4.182 0.020 1 1 1454 . 5 1 1 A 140 140 GLY HA3 H 140 3.595 4.203 -0.608 1 1 1455 . 5 1 1 A 140 140 GLY C C 140 171.240 171.885 -0.645 1 1 1456 . 5 1 1 A 140 140 GLY CA C 140 44.710 45.533 -0.823 1 1 1457 . 5 1 1 A 140 140 GLY N N 140 108.040 109.821 -1.781 1 1 1458 . 5 1 1 A 141 141 PRO HA H 141 4.460 4.678 -0.218 1 1 1463 . 5 1 1 A 141 141 PRO C C 141 176.150 175.588 0.562 1 1 1464 . 5 1 1 A 141 141 PRO CA C 141 63.230 62.644 0.586 1 1 1465 . 5 1 1 A 141 141 PRO CB C 141 32.370 33.144 -0.774 1 1 1466 . 5 1 1 A 142 142 ALA H H 142 8.496 8.545 -0.049 1 1 1467 . 5 1 1 A 142 142 ALA HA H 142 4.363 4.619 -0.256 1 1 1471 . 5 1 1 A 142 142 ALA C C 142 177.320 177.105 0.215 1 1 1472 . 5 1 1 A 142 142 ALA CA C 142 52.740 50.612 2.128 1 1 1473 . 5 1 1 A 142 142 ALA CB C 142 19.780 19.273 0.507 1 1 1474 . 5 1 1 A 142 142 ALA N N 142 124.080 123.949 0.131 1 1 4 . 6 1 1 A 2 2 SER H H 2 8.404 8.687 -0.283 1 1 5 . 6 1 1 A 2 2 SER HA H 2 4.430 4.893 -0.463 1 1 8 . 6 1 1 A 2 2 SER C C 2 174.220 172.304 1.916 1 1 9 . 6 1 1 A 2 2 SER CA C 2 58.650 57.241 1.409 1 1 10 . 6 1 1 A 2 2 SER CB C 2 64.280 63.714 0.566 1 1 11 . 6 1 1 A 2 2 SER N N 2 116.880 119.215 -2.335 1 1 12 . 6 1 1 A 3 3 ASP H H 3 8.314 8.782 -0.468 1 1 13 . 6 1 1 A 3 3 ASP HA H 3 4.594 5.062 -0.468 1 1 16 . 6 1 1 A 3 3 ASP C C 3 176.070 174.470 1.600 1 1 17 . 6 1 1 A 3 3 ASP CA C 3 54.580 53.264 1.316 1 1 18 . 6 1 1 A 3 3 ASP CB C 3 41.530 44.914 -3.384 1 1 19 . 6 1 1 A 3 3 ASP N N 3 122.210 127.034 -4.824 1 1 20 . 6 1 1 A 4 4 ASN H H 4 8.326 8.707 -0.381 1 1 21 . 6 1 1 A 4 4 ASN HA H 4 4.748 4.920 -0.172 1 1 24 . 6 1 1 A 4 4 ASN C C 4 175.130 175.026 0.104 1 1 25 . 6 1 1 A 4 4 ASN CA C 4 53.430 51.593 1.837 1 1 26 . 6 1 1 A 4 4 ASN CB C 4 38.920 39.542 -0.622 1 1 27 . 6 1 1 A 4 4 ASN N N 4 118.670 122.257 -3.587 1 1 28 . 6 1 1 A 5 5 ASN H H 5 8.467 8.995 -0.528 1 1 29 . 6 1 1 A 5 5 ASN HA H 5 4.702 4.823 -0.121 1 1 32 . 6 1 1 A 5 5 ASN C C 5 175.700 176.078 -0.378 1 1 33 . 6 1 1 A 5 5 ASN CA C 5 53.610 53.013 0.597 1 1 34 . 6 1 1 A 5 5 ASN CB C 5 39.090 38.431 0.659 1 1 35 . 6 1 1 A 5 5 ASN N N 5 119.070 119.306 -0.236 1 1 36 . 6 1 1 A 6 6 GLY H H 6 8.333 8.670 -0.337 1 1 37 . 6 1 1 A 6 6 GLY HA2 H 6 3.960 3.832 0.128 1 1 38 . 6 1 1 A 6 6 GLY HA3 H 6 3.960 3.833 0.127 1 1 39 . 6 1 1 A 6 6 GLY C C 6 174.050 174.351 -0.301 1 1 40 . 6 1 1 A 6 6 GLY CA C 6 45.390 47.660 -2.270 1 1 41 . 6 1 1 A 6 6 GLY N N 6 109.000 111.473 -2.473 1 1 42 . 6 1 1 A 7 7 THR H H 7 8.076 8.074 0.002 1 1 43 . 6 1 1 A 7 7 THR HA H 7 4.591 4.678 -0.087 1 1 48 . 6 1 1 A 7 7 THR C C 7 172.840 172.767 0.073 1 1 49 . 6 1 1 A 7 7 THR CA C 7 60.050 59.268 0.782 1 1 50 . 6 1 1 A 7 7 THR N N 7 116.910 113.681 3.229 1 1 51 . 6 1 1 A 8 8 PRO HA H 8 4.414 4.549 -0.135 1 1 54 . 6 1 1 A 8 8 PRO C C 8 176.690 176.588 0.102 1 1 55 . 6 1 1 A 8 8 PRO CA C 8 63.090 62.674 0.416 1 1 56 . 6 1 1 A 8 8 PRO CB C 8 32.290 31.995 0.295 1 1 57 . 6 1 1 A 9 9 GLU H H 9 8.467 8.627 -0.160 1 1 58 . 6 1 1 A 9 9 GLU HA H 9 4.527 4.838 -0.311 1 1 63 . 6 1 1 A 9 9 GLU C C 9 174.680 175.084 -0.404 1 1 64 . 6 1 1 A 9 9 GLU CA C 9 54.550 53.486 1.064 1 1 65 . 6 1 1 A 9 9 GLU N N 9 122.910 121.224 1.686 1 1 66 . 6 1 1 A 10 10 PRO HA H 10 4.371 4.811 -0.440 1 1 71 . 6 1 1 A 10 10 PRO C C 10 176.820 175.925 0.895 1 1 72 . 6 1 1 A 10 10 PRO CA C 10 63.300 62.479 0.821 1 1 73 . 6 1 1 A 10 10 PRO CB C 10 32.290 30.048 2.242 1 1 74 . 6 1 1 A 11 11 GLN H H 11 8.543 8.593 -0.050 1 1 75 . 6 1 1 A 11 11 GLN HA H 11 4.334 4.873 -0.539 1 1 82 . 6 1 1 A 11 11 GLN C C 11 176.010 175.322 0.688 1 1 83 . 6 1 1 A 11 11 GLN CA C 11 55.710 55.480 0.230 1 1 84 . 6 1 1 A 11 11 GLN CB C 11 29.520 30.849 -1.329 1 1 85 . 6 1 1 A 11 11 GLN N N 11 121.100 123.074 -1.974 1 1 87 . 6 1 1 A 12 12 VAL H H 12 8.201 8.658 -0.457 1 1 88 . 6 1 1 A 12 12 VAL HA H 12 4.144 4.870 -0.726 1 1 96 . 6 1 1 A 12 12 VAL C C 12 175.940 174.905 1.035 1 1 97 . 6 1 1 A 12 12 VAL CA C 12 62.110 60.937 1.173 1 1 98 . 6 1 1 A 12 12 VAL CB C 12 32.800 33.714 -0.914 1 1 99 . 6 1 1 A 12 12 VAL N N 12 122.070 123.519 -1.449 1 1 100 . 6 1 1 A 13 13 GLU H H 13 8.593 8.643 -0.050 1 1 101 . 6 1 1 A 13 13 GLU HA H 13 4.329 4.675 -0.346 1 1 106 . 6 1 1 A 13 13 GLU C C 13 176.720 174.917 1.803 1 1 107 . 6 1 1 A 13 13 GLU CA C 13 56.830 55.214 1.616 1 1 108 . 6 1 1 A 13 13 GLU CB C 13 30.860 33.903 -3.043 1 1 109 . 6 1 1 A 13 13 GLU N N 13 124.660 126.392 -1.732 1 1 138 . 6 1 1 A 17 17 VAL H H 17 8.458 8.736 -0.278 1 1 139 . 6 1 1 A 17 17 VAL HA H 17 4.183 4.669 -0.486 1 1 147 . 6 1 1 A 17 17 VAL C C 17 175.950 175.780 0.170 1 1 148 . 6 1 1 A 17 17 VAL CA C 17 63.780 62.300 1.480 1 1 149 . 6 1 1 A 17 17 VAL CB C 17 32.460 31.447 1.013 1 1 150 . 6 1 1 A 17 17 VAL N N 17 124.860 125.185 -0.325 1 1 151 . 6 1 1 A 18 18 PHE H H 18 8.579 9.137 -0.558 1 1 152 . 6 1 1 A 18 18 PHE HA H 18 4.650 5.698 -1.048 1 1 160 . 6 1 1 A 18 18 PHE C C 18 173.450 172.873 0.577 1 1 161 . 6 1 1 A 18 18 PHE CA C 18 57.480 54.982 2.498 1 1 162 . 6 1 1 A 18 18 PHE CB C 18 41.950 42.561 -0.611 1 1 163 . 6 1 1 A 18 18 PHE N N 18 127.160 123.654 3.506 1 1 164 . 6 1 1 A 19 19 ARG H H 19 7.920 8.652 -0.732 1 1 165 . 6 1 1 A 19 19 ARG HA H 19 4.196 4.525 -0.329 1 1 170 . 6 1 1 A 19 19 ARG C C 19 174.930 176.216 -1.286 1 1 171 . 6 1 1 A 19 19 ARG CA C 19 54.800 56.000 -1.200 1 1 172 . 6 1 1 A 19 19 ARG CB C 19 30.610 30.935 -0.325 1 1 173 . 6 1 1 A 19 19 ARG N N 19 127.500 122.520 4.980 1 1 174 . 6 1 1 A 20 20 ALA H H 20 8.067 8.549 -0.482 1 1 175 . 6 1 1 A 20 20 ALA HA H 20 3.729 4.652 -0.923 1 1 179 . 6 1 1 A 20 20 ALA C C 20 177.630 178.043 -0.413 1 1 180 . 6 1 1 A 20 20 ALA CA C 20 53.280 51.793 1.487 1 1 181 . 6 1 1 A 20 20 ALA CB C 20 18.860 19.978 -1.118 1 1 182 . 6 1 1 A 20 20 ALA N N 20 126.460 128.710 -2.250 1 1 183 . 6 1 1 A 21 21 ASP H H 21 8.355 8.573 -0.218 1 1 184 . 6 1 1 A 21 21 ASP HA H 21 4.350 4.533 -0.183 1 1 187 . 6 1 1 A 21 21 ASP C C 21 176.720 177.569 -0.849 1 1 188 . 6 1 1 A 21 21 ASP CA C 21 54.480 55.290 -0.810 1 1 189 . 6 1 1 A 21 21 ASP CB C 21 40.350 40.740 -0.390 1 1 190 . 6 1 1 A 21 21 ASP N N 21 117.850 118.531 -0.681 1 1 191 . 6 1 1 A 22 22 LEU H H 22 7.705 7.677 0.028 1 1 192 . 6 1 1 A 22 22 LEU HA H 22 4.088 3.751 0.337 1 1 202 . 6 1 1 A 22 22 LEU C C 22 177.760 178.036 -0.276 1 1 203 . 6 1 1 A 22 22 LEU CA C 22 55.780 57.306 -1.526 1 1 204 . 6 1 1 A 22 22 LEU CB C 22 41.860 40.706 1.154 1 1 205 . 6 1 1 A 22 22 LEU N N 22 121.600 118.182 3.418 1 1 206 . 6 1 1 A 23 23 LEU H H 23 7.717 7.812 -0.095 1 1 207 . 6 1 1 A 23 23 LEU HA H 23 4.166 3.931 0.235 1 1 217 . 6 1 1 A 23 23 LEU C C 23 177.840 178.323 -0.483 1 1 218 . 6 1 1 A 23 23 LEU CA C 23 55.960 57.917 -1.957 1 1 219 . 6 1 1 A 23 23 LEU CB C 23 41.950 41.167 0.783 1 1 220 . 6 1 1 A 23 23 LEU N N 23 120.360 119.206 1.154 1 1 221 . 6 1 1 A 24 24 LYS H H 24 7.933 7.912 0.021 1 1 222 . 6 1 1 A 24 24 LYS HA H 24 4.174 4.293 -0.119 1 1 229 . 6 1 1 A 24 24 LYS C C 24 177.190 179.363 -2.173 1 1 230 . 6 1 1 A 24 24 LYS CA C 24 57.050 57.690 -0.640 1 1 231 . 6 1 1 A 24 24 LYS CB C 24 32.880 33.373 -0.493 1 1 232 . 6 1 1 A 24 24 LYS N N 24 121.120 118.344 2.776 1 1 233 . 6 1 1 A 25 25 GLU H H 25 8.160 8.257 -0.097 1 1 234 . 6 1 1 A 25 25 GLU HA H 25 4.199 4.098 0.101 1 1 239 . 6 1 1 A 25 25 GLU C C 25 176.900 178.623 -1.723 1 1 240 . 6 1 1 A 25 25 GLU CA C 25 57.010 59.240 -2.230 1 1 241 . 6 1 1 A 25 25 GLU CB C 25 30.280 29.384 0.896 1 1 242 . 6 1 1 A 25 25 GLU N N 25 121.550 120.140 1.410 1 1 243 . 6 1 1 A 26 26 MET H H 26 8.270 7.922 0.348 1 1 244 . 6 1 1 A 26 26 MET HA H 26 4.360 4.201 0.159 1 1 252 . 6 1 1 A 26 26 MET C C 26 176.440 178.262 -1.822 1 1 253 . 6 1 1 A 26 26 MET CA C 26 56.180 58.707 -2.527 1 1 254 . 6 1 1 A 26 26 MET CB C 26 33.050 32.141 0.909 1 1 255 . 6 1 1 A 26 26 MET N N 26 120.730 119.625 1.105 1 1 256 . 6 1 1 A 27 27 GLU H H 27 8.297 8.106 0.191 1 1 257 . 6 1 1 A 27 27 GLU HA H 27 4.264 4.222 0.042 1 1 262 . 6 1 1 A 27 27 GLU C C 27 176.650 178.896 -2.246 1 1 263 . 6 1 1 A 27 27 GLU CA C 27 56.830 59.166 -2.336 1 1 264 . 6 1 1 A 27 27 GLU CB C 27 30.530 29.019 1.511 1 1 265 . 6 1 1 A 27 27 GLU N N 27 121.650 118.779 2.871 1 1 266 . 6 1 1 A 28 28 SER H H 28 8.279 8.031 0.248 1 1 267 . 6 1 1 A 28 28 SER HA H 28 4.473 4.284 0.189 1 1 270 . 6 1 1 A 28 28 SER C C 28 174.760 175.663 -0.903 1 1 271 . 6 1 1 A 28 28 SER CA C 28 58.460 61.427 -2.967 1 1 272 . 6 1 1 A 28 28 SER CB C 28 64.190 63.271 0.919 1 1 273 . 6 1 1 A 28 28 SER N N 28 116.610 117.516 -0.906 1 1 274 . 6 1 1 A 29 29 SER H H 29 8.443 8.061 0.382 1 1 275 . 6 1 1 A 29 29 SER HA H 29 4.541 4.477 0.064 1 1 278 . 6 1 1 A 29 29 SER C C 29 174.950 175.304 -0.354 1 1 279 . 6 1 1 A 29 29 SER CA C 29 58.530 61.278 -2.748 1 1 280 . 6 1 1 A 29 29 SER CB C 29 64.190 63.763 0.427 1 1 281 . 6 1 1 A 29 29 SER N N 29 118.290 115.276 3.014 1 1 282 . 6 1 1 A 30 30 THR H H 30 8.220 7.895 0.325 1 1 283 . 6 1 1 A 30 30 THR HA H 30 4.372 4.322 0.050 1 1 288 . 6 1 1 A 30 30 THR C C 30 175.280 174.866 0.414 1 1 289 . 6 1 1 A 30 30 THR CA C 30 62.260 62.205 0.055 1 1 290 . 6 1 1 A 30 30 THR CB C 30 69.900 67.611 2.289 1 1 291 . 6 1 1 A 30 30 THR N N 30 115.600 114.144 1.456 1 1 292 . 6 1 1 A 31 31 GLY H H 31 8.401 8.030 0.371 1 1 293 . 6 1 1 A 31 31 GLY HA2 H 31 4.005 4.110 -0.105 1 1 294 . 6 1 1 A 31 31 GLY HA3 H 31 4.005 4.112 -0.107 1 1 295 . 6 1 1 A 31 31 GLY C C 31 174.160 174.459 -0.299 1 1 296 . 6 1 1 A 31 31 GLY CA C 31 45.470 45.433 0.037 1 1 297 . 6 1 1 A 31 31 GLY N N 31 111.270 114.199 -2.929 1 1 298 . 6 1 1 A 32 32 THR H H 32 8.034 7.798 0.236 1 1 299 . 6 1 1 A 32 32 THR HA H 32 4.319 4.179 0.140 1 1 304 . 6 1 1 A 32 32 THR C C 32 174.130 173.675 0.455 1 1 305 . 6 1 1 A 32 32 THR CA C 32 61.710 63.358 -1.648 1 1 306 . 6 1 1 A 32 32 THR CB C 32 70.150 69.026 1.124 1 1 307 . 6 1 1 A 32 32 THR N N 32 113.770 116.135 -2.365 1 1 308 . 6 1 1 A 33 33 ALA H H 33 8.410 8.540 -0.130 1 1 309 . 6 1 1 A 33 33 ALA HA H 33 4.581 4.503 0.078 1 1 313 . 6 1 1 A 33 33 ALA C C 33 175.490 176.091 -0.601 1 1 314 . 6 1 1 A 33 33 ALA CA C 33 50.680 50.434 0.246 1 1 315 . 6 1 1 A 33 33 ALA N N 33 128.320 129.822 -1.502 1 1 316 . 6 1 1 A 34 34 PRO HA H 34 4.389 4.520 -0.131 1 1 321 . 6 1 1 A 34 34 PRO C C 34 176.650 176.278 0.372 1 1 322 . 6 1 1 A 34 34 PRO CA C 34 63.090 62.764 0.326 1 1 323 . 6 1 1 A 34 34 PRO CB C 34 32.210 32.369 -0.159 1 1 324 . 6 1 1 A 35 35 ALA H H 35 8.433 8.368 0.065 1 1 325 . 6 1 1 A 35 35 ALA HA H 35 4.275 4.966 -0.691 1 1 329 . 6 1 1 A 35 35 ALA C C 35 177.730 175.419 2.311 1 1 330 . 6 1 1 A 35 35 ALA CA C 35 52.590 50.752 1.838 1 1 331 . 6 1 1 A 35 35 ALA CB C 35 19.450 22.651 -3.201 1 1 332 . 6 1 1 A 35 35 ALA N N 35 124.330 122.959 1.371 1 1 333 . 6 1 1 A 36 36 SER H H 36 8.259 8.575 -0.316 1 1 334 . 6 1 1 A 36 36 SER HA H 36 4.474 4.887 -0.413 1 1 337 . 6 1 1 A 36 36 SER C C 36 174.860 173.698 1.162 1 1 338 . 6 1 1 A 36 36 SER CA C 36 58.130 56.582 1.548 1 1 339 . 6 1 1 A 36 36 SER CB C 36 64.190 65.007 -0.817 1 1 340 . 6 1 1 A 36 36 SER N N 36 114.560 115.214 -0.654 1 1 341 . 6 1 1 A 37 37 THR H H 37 8.325 8.867 -0.542 1 1 342 . 6 1 1 A 37 37 THR HA H 37 4.281 4.464 -0.183 1 1 346 . 6 1 1 A 37 37 THR C C 37 175.110 174.522 0.588 1 1 347 . 6 1 1 A 37 37 THR CA C 37 62.260 61.908 0.352 1 1 348 . 6 1 1 A 37 37 THR CB C 37 70.150 68.683 1.467 1 1 349 . 6 1 1 A 37 37 THR N N 37 115.300 122.888 -7.588 1 1 350 . 6 1 1 A 38 38 GLY H H 38 8.511 7.771 0.740 1 1 351 . 6 1 1 A 38 38 GLY HA2 H 38 3.975 3.995 -0.020 1 1 352 . 6 1 1 A 38 38 GLY HA3 H 38 3.809 3.998 -0.189 1 1 353 . 6 1 1 A 38 38 GLY C C 38 174.470 174.989 -0.519 1 1 354 . 6 1 1 A 38 38 GLY CA C 38 45.470 46.076 -0.606 1 1 355 . 6 1 1 A 38 38 GLY N N 38 110.440 109.548 0.892 1 1 356 . 6 1 1 A 39 39 ALA H H 39 8.245 8.153 0.092 1 1 357 . 6 1 1 A 39 39 ALA HA H 39 4.164 3.945 0.219 1 1 361 . 6 1 1 A 39 39 ALA C C 39 177.590 179.434 -1.844 1 1 362 . 6 1 1 A 39 39 ALA CA C 39 52.560 54.910 -2.350 1 1 363 . 6 1 1 A 39 39 ALA CB C 39 19.360 18.604 0.756 1 1 364 . 6 1 1 A 39 39 ALA N N 39 124.080 123.730 0.350 1 1 365 . 6 1 1 A 40 40 GLU H H 40 8.721 7.889 0.832 1 1 366 . 6 1 1 A 40 40 GLU HA H 40 4.083 4.145 -0.062 1 1 371 . 6 1 1 A 40 40 GLU C C 40 176.320 178.033 -1.713 1 1 372 . 6 1 1 A 40 40 GLU CA C 40 57.910 57.554 0.356 1 1 373 . 6 1 1 A 40 40 GLU CB C 40 29.520 28.949 0.571 1 1 374 . 6 1 1 A 40 40 GLU N N 40 118.270 115.948 2.322 1 1 375 . 6 1 1 A 41 41 ASN H H 41 8.226 7.825 0.401 1 1 376 . 6 1 1 A 41 41 ASN HA H 41 4.716 4.783 -0.067 1 1 381 . 6 1 1 A 41 41 ASN C C 41 174.800 175.036 -0.236 1 1 382 . 6 1 1 A 41 41 ASN CA C 41 52.880 54.631 -1.751 1 1 383 . 6 1 1 A 41 41 ASN CB C 41 38.840 39.197 -0.357 1 1 384 . 6 1 1 A 41 41 ASN N N 41 117.620 118.903 -1.283 1 1 386 . 6 1 1 A 42 42 LEU H H 42 7.629 7.725 -0.096 1 1 387 . 6 1 1 A 42 42 LEU HA H 42 4.418 4.001 0.417 1 1 397 . 6 1 1 A 42 42 LEU C C 42 174.610 176.784 -2.174 1 1 398 . 6 1 1 A 42 42 LEU CA C 42 53.170 55.393 -2.223 1 1 399 . 6 1 1 A 42 42 LEU N N 42 123.010 118.631 4.379 1 1 400 . 6 1 1 A 43 43 PRO HA H 43 4.366 4.370 -0.004 1 1 407 . 6 1 1 A 43 43 PRO C C 43 177.050 179.143 -2.093 1 1 408 . 6 1 1 A 43 43 PRO CA C 43 62.260 66.199 -3.939 1 1 409 . 6 1 1 A 43 43 PRO CB C 43 32.380 31.251 1.129 1 1 410 . 6 1 1 A 44 44 ALA H H 44 8.552 7.743 0.809 1 1 411 . 6 1 1 A 44 44 ALA HA H 44 4.223 4.258 -0.035 1 1 415 . 6 1 1 A 44 44 ALA C C 44 179.500 178.025 1.475 1 1 416 . 6 1 1 A 44 44 ALA CA C 44 53.250 52.527 0.723 1 1 417 . 6 1 1 A 44 44 ALA CB C 44 18.190 19.643 -1.453 1 1 418 . 6 1 1 A 44 44 ALA N N 44 125.070 118.985 6.085 1 1 419 . 6 1 1 A 45 45 GLY H H 45 8.897 8.568 0.329 1 1 420 . 6 1 1 A 45 45 GLY HA2 H 45 4.214 3.970 0.244 1 1 421 . 6 1 1 A 45 45 GLY HA3 H 45 3.833 4.005 -0.172 1 1 422 . 6 1 1 A 45 45 GLY C C 45 173.720 173.816 -0.096 1 1 423 . 6 1 1 A 45 45 GLY CA C 45 45.790 45.345 0.445 1 1 424 . 6 1 1 A 45 45 GLY N N 45 110.600 108.214 2.386 1 1 425 . 6 1 1 A 46 46 SER H H 46 7.690 7.938 -0.248 1 1 426 . 6 1 1 A 46 46 SER HA H 46 5.338 5.280 0.058 1 1 429 . 6 1 1 A 46 46 SER C C 46 172.990 173.134 -0.144 1 1 430 . 6 1 1 A 46 46 SER CA C 46 57.810 57.614 0.196 1 1 431 . 6 1 1 A 46 46 SER CB C 46 66.960 66.775 0.185 1 1 432 . 6 1 1 A 46 46 SER N N 46 114.180 117.369 -3.189 1 1 433 . 6 1 1 A 47 47 ALA H H 47 8.435 8.963 -0.528 1 1 434 . 6 1 1 A 47 47 ALA HA H 47 4.338 4.927 -0.589 1 1 438 . 6 1 1 A 47 47 ALA C C 47 173.840 176.001 -2.161 1 1 439 . 6 1 1 A 47 47 ALA CA C 47 51.690 51.298 0.392 1 1 440 . 6 1 1 A 47 47 ALA CB C 47 24.570 23.213 1.357 1 1 441 . 6 1 1 A 47 47 ALA N N 47 120.900 123.217 -2.317 1 1 442 . 6 1 1 A 48 48 LEU H H 48 8.673 8.434 0.239 1 1 443 . 6 1 1 A 48 48 LEU HA H 48 5.021 5.415 -0.394 1 1 453 . 6 1 1 A 48 48 LEU C C 48 174.680 175.684 -1.004 1 1 454 . 6 1 1 A 48 48 LEU CA C 48 53.350 52.683 0.667 1 1 455 . 6 1 1 A 48 48 LEU CB C 48 48.150 45.431 2.719 1 1 456 . 6 1 1 A 48 48 LEU N N 48 120.170 115.878 4.292 1 1 457 . 6 1 1 A 49 49 LEU H H 49 8.686 9.405 -0.719 1 1 458 . 6 1 1 A 49 49 LEU HA H 49 5.403 5.484 -0.081 1 1 468 . 6 1 1 A 49 49 LEU C C 49 176.170 175.069 1.101 1 1 469 . 6 1 1 A 49 49 LEU CA C 49 52.810 53.091 -0.281 1 1 470 . 6 1 1 A 49 49 LEU CB C 49 46.310 44.499 1.811 1 1 471 . 6 1 1 A 49 49 LEU N N 49 120.170 121.359 -1.189 1 1 472 . 6 1 1 A 50 50 VAL H H 50 8.874 9.271 -0.397 1 1 473 . 6 1 1 A 50 50 VAL HA H 50 4.971 5.022 -0.051 1 1 481 . 6 1 1 A 50 50 VAL C C 50 176.740 174.544 2.196 1 1 482 . 6 1 1 A 50 50 VAL CA C 50 59.940 59.889 0.051 1 1 483 . 6 1 1 A 50 50 VAL CB C 50 34.970 34.216 0.754 1 1 484 . 6 1 1 A 50 50 VAL N N 50 120.580 121.704 -1.124 1 1 485 . 6 1 1 A 51 51 VAL H H 51 8.984 9.269 -0.285 1 1 486 . 6 1 1 A 51 51 VAL HA H 51 4.155 4.091 0.064 1 1 494 . 6 1 1 A 51 51 VAL C C 51 176.050 176.002 0.048 1 1 495 . 6 1 1 A 51 51 VAL CA C 51 64.280 63.124 1.156 1 1 496 . 6 1 1 A 51 51 VAL CB C 51 31.280 31.390 -0.110 1 1 497 . 6 1 1 A 51 51 VAL N N 51 125.710 128.262 -2.552 1 1 498 . 6 1 1 A 52 52 LYS H H 52 9.444 9.455 -0.011 1 1 499 . 6 1 1 A 52 52 LYS HA H 52 4.450 4.329 0.121 1 1 506 . 6 1 1 A 52 52 LYS C C 52 176.150 175.804 0.346 1 1 507 . 6 1 1 A 52 52 LYS CA C 52 57.050 57.551 -0.501 1 1 508 . 6 1 1 A 52 52 LYS CB C 52 34.470 33.926 0.544 1 1 509 . 6 1 1 A 52 52 LYS N N 52 132.750 130.018 2.732 1 1 510 . 6 1 1 A 53 53 ARG H H 53 8.051 7.462 0.589 1 1 511 . 6 1 1 A 53 53 ARG HA H 53 4.685 4.817 -0.132 1 1 516 . 6 1 1 A 53 53 ARG C C 53 173.470 174.740 -1.270 1 1 517 . 6 1 1 A 53 53 ARG CA C 53 55.090 55.431 -0.341 1 1 518 . 6 1 1 A 53 53 ARG CB C 53 34.300 34.150 0.150 1 1 519 . 6 1 1 A 53 53 ARG N N 53 117.320 118.764 -1.444 1 1 520 . 6 1 1 A 54 54 GLY H H 54 8.377 8.440 -0.063 1 1 521 . 6 1 1 A 54 54 GLY HA2 H 54 4.215 3.941 0.274 1 1 522 . 6 1 1 A 54 54 GLY HA3 H 54 3.503 3.972 -0.469 1 1 523 . 6 1 1 A 54 54 GLY C C 54 171.870 174.488 -2.618 1 1 524 . 6 1 1 A 54 54 GLY CA C 54 43.770 44.086 -0.316 1 1 525 . 6 1 1 A 54 54 GLY N N 54 110.960 112.163 -1.203 1 1 526 . 6 1 1 A 55 55 PRO HA H 55 4.255 4.316 -0.061 1 1 531 . 6 1 1 A 55 55 PRO C C 55 175.940 177.533 -1.593 1 1 532 . 6 1 1 A 55 55 PRO CA C 55 64.390 65.201 -0.811 1 1 533 . 6 1 1 A 55 55 PRO CB C 55 31.360 31.884 -0.524 1 1 534 . 6 1 1 A 56 56 ASN H H 56 8.202 8.783 -0.581 1 1 535 . 6 1 1 A 56 56 ASN HA H 56 4.685 4.892 -0.207 1 1 540 . 6 1 1 A 56 56 ASN C C 56 174.410 175.536 -1.126 1 1 541 . 6 1 1 A 56 56 ASN CA C 56 52.120 52.647 -0.527 1 1 542 . 6 1 1 A 56 56 ASN CB C 56 37.070 37.728 -0.658 1 1 543 . 6 1 1 A 56 56 ASN N N 56 114.760 113.930 0.830 1 1 545 . 6 1 1 A 57 57 ALA H H 57 7.283 7.550 -0.267 1 1 546 . 6 1 1 A 57 57 ALA HA H 57 3.618 4.171 -0.553 1 1 550 . 6 1 1 A 57 57 ALA C C 57 178.090 178.429 -0.339 1 1 551 . 6 1 1 A 57 57 ALA CA C 57 54.480 53.736 0.744 1 1 552 . 6 1 1 A 57 57 ALA CB C 57 17.760 18.847 -1.087 1 1 553 . 6 1 1 A 57 57 ALA N N 57 120.380 124.184 -3.804 1 1 554 . 6 1 1 A 58 58 GLY H H 58 9.052 9.237 -0.185 1 1 555 . 6 1 1 A 58 58 GLY HA2 H 58 4.449 4.017 0.432 1 1 556 . 6 1 1 A 58 58 GLY HA3 H 58 3.415 4.020 -0.605 1 1 557 . 6 1 1 A 58 58 GLY C C 58 174.610 174.282 0.328 1 1 558 . 6 1 1 A 58 58 GLY CA C 58 44.530 45.030 -0.500 1 1 559 . 6 1 1 A 58 58 GLY N N 58 112.180 110.366 1.814 1 1 560 . 6 1 1 A 59 59 ALA H H 59 8.171 7.456 0.715 1 1 561 . 6 1 1 A 59 59 ALA HA H 59 4.081 4.337 -0.256 1 1 565 . 6 1 1 A 59 59 ALA C C 59 175.220 177.038 -1.818 1 1 566 . 6 1 1 A 59 59 ALA CA C 59 53.170 51.565 1.605 1 1 567 . 6 1 1 A 59 59 ALA CB C 59 19.360 19.854 -0.494 1 1 568 . 6 1 1 A 59 59 ALA N N 59 124.650 123.685 0.965 1 1 569 . 6 1 1 A 60 60 ARG H H 60 7.751 8.776 -1.025 1 1 570 . 6 1 1 A 60 60 ARG HA H 60 5.105 5.099 0.006 1 1 575 . 6 1 1 A 60 60 ARG C C 60 175.320 174.788 0.532 1 1 576 . 6 1 1 A 60 60 ARG CA C 60 54.150 54.449 -0.299 1 1 577 . 6 1 1 A 60 60 ARG CB C 60 34.130 33.127 1.003 1 1 578 . 6 1 1 A 60 60 ARG N N 60 116.920 119.081 -2.161 1 1 579 . 6 1 1 A 61 61 PHE H H 61 9.213 9.510 -0.297 1 1 580 . 6 1 1 A 61 61 PHE HA H 61 4.788 5.115 -0.327 1 1 587 . 6 1 1 A 61 61 PHE C C 61 173.930 174.403 -0.473 1 1 588 . 6 1 1 A 61 61 PHE CA C 61 56.500 56.045 0.455 1 1 589 . 6 1 1 A 61 61 PHE CB C 61 41.860 41.837 0.023 1 1 590 . 6 1 1 A 61 61 PHE N N 61 121.090 121.194 -0.104 1 1 591 . 6 1 1 A 62 62 LEU H H 62 8.638 9.059 -0.421 1 1 592 . 6 1 1 A 62 62 LEU HA H 62 4.566 4.985 -0.419 1 1 602 . 6 1 1 A 62 62 LEU C C 62 176.570 175.091 1.479 1 1 603 . 6 1 1 A 62 62 LEU CA C 62 55.130 53.902 1.228 1 1 604 . 6 1 1 A 62 62 LEU CB C 62 43.620 44.189 -0.569 1 1 605 . 6 1 1 A 62 62 LEU N N 62 125.630 125.370 0.260 1 1 606 . 6 1 1 A 63 63 LEU H H 63 8.929 9.367 -0.438 1 1 607 . 6 1 1 A 63 63 LEU HA H 63 4.852 4.655 0.197 1 1 617 . 6 1 1 A 63 63 LEU C C 63 175.070 176.212 -1.142 1 1 618 . 6 1 1 A 63 63 LEU CA C 63 53.170 54.793 -1.623 1 1 619 . 6 1 1 A 63 63 LEU CB C 63 42.110 41.314 0.796 1 1 620 . 6 1 1 A 63 63 LEU N N 63 125.980 127.814 -1.834 1 1 621 . 6 1 1 A 64 64 ASP H H 64 8.601 9.090 -0.489 1 1 622 . 6 1 1 A 64 64 ASP HA H 64 4.736 4.943 -0.207 1 1 625 . 6 1 1 A 64 64 ASP C C 64 175.130 175.478 -0.348 1 1 626 . 6 1 1 A 64 64 ASP CA C 64 53.640 52.943 0.697 1 1 627 . 6 1 1 A 64 64 ASP CB C 64 41.020 41.463 -0.443 1 1 628 . 6 1 1 A 64 64 ASP N N 64 120.910 126.562 -5.652 1 1 629 . 6 1 1 A 65 65 GLN H H 65 7.497 7.545 -0.048 1 1 630 . 6 1 1 A 65 65 GLN HA H 65 4.856 4.930 -0.074 1 1 637 . 6 1 1 A 65 65 GLN C C 65 173.550 175.267 -1.717 1 1 638 . 6 1 1 A 65 65 GLN CA C 65 52.780 53.220 -0.440 1 1 639 . 6 1 1 A 65 65 GLN N N 65 117.420 116.621 0.799 1 1 641 . 6 1 1 A 66 66 PRO HA H 66 4.190 4.380 -0.190 1 1 648 . 6 1 1 A 66 66 PRO C C 66 177.400 176.663 0.737 1 1 649 . 6 1 1 A 66 66 PRO CA C 66 66.810 64.701 2.109 1 1 650 . 6 1 1 A 66 66 PRO CB C 66 32.370 32.262 0.108 1 1 651 . 6 1 1 A 67 67 THR H H 67 7.647 7.480 0.167 1 1 652 . 6 1 1 A 67 67 THR HA H 67 4.811 5.118 -0.307 1 1 657 . 6 1 1 A 67 67 THR C C 67 173.280 173.120 0.160 1 1 658 . 6 1 1 A 67 67 THR CA C 67 62.830 61.236 1.594 1 1 659 . 6 1 1 A 67 67 THR CB C 67 71.740 71.602 0.138 1 1 660 . 6 1 1 A 67 67 THR N N 67 109.270 112.317 -3.047 1 1 661 . 6 1 1 A 68 68 THR H H 68 8.919 9.417 -0.498 1 1 662 . 6 1 1 A 68 68 THR HA H 68 4.968 5.002 -0.034 1 1 667 . 6 1 1 A 68 68 THR C C 68 175.090 173.951 1.139 1 1 668 . 6 1 1 A 68 68 THR CA C 68 61.820 61.683 0.137 1 1 669 . 6 1 1 A 68 68 THR CB C 68 70.730 70.795 -0.065 1 1 670 . 6 1 1 A 68 68 THR N N 68 125.610 123.939 1.671 1 1 671 . 6 1 1 A 69 69 THR H H 69 10.398 8.970 1.428 1 1 672 . 6 1 1 A 69 69 THR HA H 69 4.491 5.052 -0.561 1 1 677 . 6 1 1 A 69 69 THR C C 69 173.140 173.691 -0.551 1 1 678 . 6 1 1 A 69 69 THR CA C 69 61.790 61.154 0.636 1 1 679 . 6 1 1 A 69 69 THR CB C 69 70.820 70.441 0.379 1 1 680 . 6 1 1 A 69 69 THR N N 69 121.520 122.218 -0.698 1 1 681 . 6 1 1 A 70 70 ALA H H 70 8.722 9.241 -0.519 1 1 682 . 6 1 1 A 70 70 ALA HA H 70 5.696 5.258 0.438 1 1 686 . 6 1 1 A 70 70 ALA C C 70 175.840 175.867 -0.027 1 1 687 . 6 1 1 A 70 70 ALA CA C 70 50.030 50.448 -0.418 1 1 688 . 6 1 1 A 70 70 ALA CB C 70 22.300 22.569 -0.269 1 1 689 . 6 1 1 A 70 70 ALA N N 70 122.410 127.122 -4.712 1 1 690 . 6 1 1 A 71 71 GLY H H 71 8.430 8.228 0.202 1 1 691 . 6 1 1 A 71 71 GLY HA2 H 71 4.474 4.100 0.374 1 1 692 . 6 1 1 A 71 71 GLY HA3 H 71 3.903 4.183 -0.280 1 1 693 . 6 1 1 A 71 71 GLY C C 71 170.540 172.090 -1.550 1 1 694 . 6 1 1 A 71 71 GLY CA C 71 46.300 44.318 1.982 1 1 695 . 6 1 1 A 71 71 GLY N N 71 108.960 108.070 0.890 1 1 696 . 6 1 1 A 72 72 ARG H H 72 8.341 8.737 -0.396 1 1 697 . 6 1 1 A 72 72 ARG HA H 72 4.481 5.021 -0.540 1 1 702 . 6 1 1 A 72 72 ARG C C 72 175.720 175.742 -0.022 1 1 703 . 6 1 1 A 72 72 ARG CA C 72 54.800 55.605 -0.805 1 1 704 . 6 1 1 A 72 72 ARG CB C 72 32.540 31.373 1.167 1 1 705 . 6 1 1 A 72 72 ARG N N 72 120.930 120.954 -0.024 1 1 706 . 6 1 1 A 73 73 HIS H H 73 9.295 8.646 0.649 1 1 707 . 6 1 1 A 73 73 HIS HA H 73 4.403 4.945 -0.542 1 1 712 . 6 1 1 A 73 73 HIS C C 73 176.860 174.104 2.756 1 1 713 . 6 1 1 A 73 73 HIS CA C 73 57.050 55.605 1.445 1 1 714 . 6 1 1 A 73 73 HIS N N 73 125.290 122.852 2.438 1 1 715 . 6 1 1 A 74 74 PRO HA H 74 4.373 4.299 0.074 1 1 722 . 6 1 1 A 74 74 PRO C C 74 177.590 177.289 0.301 1 1 723 . 6 1 1 A 74 74 PRO CA C 74 64.930 64.878 0.052 1 1 724 . 6 1 1 A 74 74 PRO CB C 74 32.030 31.840 0.190 1 1 725 . 6 1 1 A 75 75 GLU H H 75 10.575 8.620 1.955 1 1 726 . 6 1 1 A 75 75 GLU HA H 75 4.352 4.358 -0.006 1 1 731 . 6 1 1 A 75 75 GLU C C 75 177.320 176.736 0.584 1 1 732 . 6 1 1 A 75 75 GLU CA C 75 56.070 56.414 -0.344 1 1 733 . 6 1 1 A 75 75 GLU CB C 75 29.010 29.026 -0.016 1 1 734 . 6 1 1 A 75 75 GLU N N 75 119.840 116.536 3.304 1 1 735 . 6 1 1 A 76 76 SER H H 76 8.236 7.623 0.613 1 1 736 . 6 1 1 A 76 76 SER HA H 76 4.100 4.519 -0.419 1 1 739 . 6 1 1 A 76 76 SER C C 76 173.120 173.967 -0.847 1 1 740 . 6 1 1 A 76 76 SER CA C 76 60.160 57.634 2.526 1 1 741 . 6 1 1 A 76 76 SER CB C 76 65.530 63.165 2.365 1 1 742 . 6 1 1 A 76 76 SER N N 76 118.860 117.226 1.634 1 1 743 . 6 1 1 A 77 77 ASP H H 77 8.541 8.966 -0.425 1 1 744 . 6 1 1 A 77 77 ASP HA H 77 4.344 4.454 -0.110 1 1 747 . 6 1 1 A 77 77 ASP C C 77 177.590 176.301 1.289 1 1 748 . 6 1 1 A 77 77 ASP CA C 77 58.380 56.825 1.555 1 1 749 . 6 1 1 A 77 77 ASP CB C 77 42.110 40.759 1.351 1 1 750 . 6 1 1 A 77 77 ASP N N 77 126.720 125.397 1.323 1 1 751 . 6 1 1 A 78 78 ILE H H 78 8.571 7.558 1.013 1 1 752 . 6 1 1 A 78 78 ILE HA H 78 3.563 3.883 -0.320 1 1 762 . 6 1 1 A 78 78 ILE C C 78 172.930 174.279 -1.349 1 1 763 . 6 1 1 A 78 78 ILE CA C 78 60.880 59.887 0.993 1 1 764 . 6 1 1 A 78 78 ILE CB C 78 37.410 38.294 -0.884 1 1 765 . 6 1 1 A 78 78 ILE N N 78 120.210 112.955 7.255 1 1 766 . 6 1 1 A 79 79 PHE H H 79 8.018 8.851 -0.833 1 1 767 . 6 1 1 A 79 79 PHE HA H 79 5.018 4.717 0.301 1 1 775 . 6 1 1 A 79 79 PHE C C 79 174.130 173.829 0.301 1 1 776 . 6 1 1 A 79 79 PHE CA C 79 55.780 56.279 -0.499 1 1 777 . 6 1 1 A 79 79 PHE CB C 79 39.170 40.207 -1.037 1 1 778 . 6 1 1 A 79 79 PHE N N 79 127.300 127.753 -0.453 1 1 779 . 6 1 1 A 80 80 LEU H H 80 7.695 8.574 -0.879 1 1 780 . 6 1 1 A 80 80 LEU HA H 80 3.619 4.575 -0.956 1 1 790 . 6 1 1 A 80 80 LEU C C 80 173.720 174.519 -0.799 1 1 791 . 6 1 1 A 80 80 LEU CA C 80 52.340 53.164 -0.824 1 1 792 . 6 1 1 A 80 80 LEU CB C 80 41.770 43.410 -1.640 1 1 793 . 6 1 1 A 80 80 LEU N N 80 131.810 128.344 3.466 1 1 794 . 6 1 1 A 81 81 ASP H H 81 7.974 9.069 -1.095 1 1 795 . 6 1 1 A 81 81 ASP HA H 81 4.141 5.378 -1.237 1 1 798 . 6 1 1 A 81 81 ASP C C 81 175.130 174.445 0.685 1 1 799 . 6 1 1 A 81 81 ASP CA C 81 53.210 52.630 0.580 1 1 800 . 6 1 1 A 81 81 ASP CB C 81 39.930 43.929 -3.999 1 1 801 . 6 1 1 A 81 81 ASP N N 81 121.130 125.880 -4.750 1 1 802 . 6 1 1 A 82 82 ASP H H 82 7.583 8.649 -1.066 1 1 803 . 6 1 1 A 82 82 ASP HA H 82 4.859 5.010 -0.151 1 1 806 . 6 1 1 A 82 82 ASP C C 82 176.760 177.076 -0.316 1 1 807 . 6 1 1 A 82 82 ASP CA C 82 54.980 52.425 2.555 1 1 808 . 6 1 1 A 82 82 ASP CB C 82 39.170 42.191 -3.021 1 1 809 . 6 1 1 A 82 82 ASP N N 82 121.540 126.238 -4.698 1 1 810 . 6 1 1 A 83 83 VAL H H 83 8.344 8.417 -0.073 1 1 811 . 6 1 1 A 83 83 VAL HA H 83 4.012 3.749 0.263 1 1 819 . 6 1 1 A 83 83 VAL C C 83 174.860 176.356 -1.496 1 1 820 . 6 1 1 A 83 83 VAL CA C 83 65.330 65.483 -0.153 1 1 821 . 6 1 1 A 83 83 VAL CB C 83 31.530 31.924 -0.394 1 1 822 . 6 1 1 A 83 83 VAL N N 83 122.260 118.080 4.180 1 1 823 . 6 1 1 A 84 84 THR H H 84 8.268 8.081 0.187 1 1 824 . 6 1 1 A 84 84 THR HA H 84 4.540 4.690 -0.150 1 1 828 . 6 1 1 A 84 84 THR C C 84 175.360 173.113 2.247 1 1 829 . 6 1 1 A 84 84 THR CA C 84 63.810 61.671 2.139 1 1 830 . 6 1 1 A 84 84 THR CB C 84 70.900 70.236 0.664 1 1 831 . 6 1 1 A 84 84 THR N N 84 110.620 113.952 -3.332 1 1 832 . 6 1 1 A 85 85 VAL H H 85 8.579 8.942 -0.363 1 1 833 . 6 1 1 A 85 85 VAL HA H 85 4.254 4.552 -0.298 1 1 841 . 6 1 1 A 85 85 VAL C C 85 177.070 175.483 1.587 1 1 842 . 6 1 1 A 85 85 VAL CA C 85 61.930 60.920 1.010 1 1 843 . 6 1 1 A 85 85 VAL CB C 85 32.450 33.951 -1.501 1 1 844 . 6 1 1 A 85 85 VAL N N 85 126.860 127.881 -1.021 1 1 845 . 6 1 1 A 86 86 SER H H 86 11.668 8.451 3.217 1 1 846 . 6 1 1 A 86 86 SER HA H 86 5.203 4.658 0.545 1 1 849 . 6 1 1 A 86 86 SER C C 86 175.470 175.744 -0.274 1 1 850 . 6 1 1 A 86 86 SER CA C 86 61.600 58.304 3.296 1 1 851 . 6 1 1 A 86 86 SER CB C 86 64.270 63.889 0.381 1 1 852 . 6 1 1 A 86 86 SER N N 86 128.670 122.378 6.292 1 1 853 . 6 1 1 A 87 87 ARG H H 87 10.946 8.858 2.088 1 1 854 . 6 1 1 A 87 87 ARG HA H 87 5.179 4.811 0.368 1 1 862 . 6 1 1 A 87 87 ARG C C 87 177.110 176.292 0.818 1 1 863 . 6 1 1 A 87 87 ARG CA C 87 60.810 58.792 2.018 1 1 864 . 6 1 1 A 87 87 ARG CB C 87 29.010 29.849 -0.839 1 1 865 . 6 1 1 A 87 87 ARG N N 87 126.810 123.273 3.537 1 1 867 . 6 1 1 A 88 88 ARG H H 88 7.946 7.381 0.565 1 1 868 . 6 1 1 A 88 88 ARG HA H 88 4.459 4.642 -0.183 1 1 876 . 6 1 1 A 88 88 ARG C C 88 172.990 175.501 -2.511 1 1 877 . 6 1 1 A 88 88 ARG CA C 88 55.060 54.459 0.601 1 1 878 . 6 1 1 A 88 88 ARG CB C 88 29.770 31.834 -2.064 1 1 879 . 6 1 1 A 88 88 ARG N N 88 115.670 119.193 -3.523 1 1 881 . 6 1 1 A 89 89 HIS H H 89 7.613 9.017 -1.404 1 1 882 . 6 1 1 A 89 89 HIS HA H 89 4.437 4.559 -0.122 1 1 888 . 6 1 1 A 89 89 HIS C C 89 174.050 175.029 -0.979 1 1 889 . 6 1 1 A 89 89 HIS CA C 89 58.420 58.044 0.376 1 1 890 . 6 1 1 A 89 89 HIS CB C 89 32.620 31.833 0.787 1 1 891 . 6 1 1 A 89 89 HIS N N 89 124.000 125.094 -1.094 1 1 893 . 6 1 1 A 90 90 ALA H H 90 8.454 7.233 1.221 1 1 894 . 6 1 1 A 90 90 ALA HA H 90 5.529 4.397 1.132 1 1 898 . 6 1 1 A 90 90 ALA C C 90 176.260 174.713 1.547 1 1 899 . 6 1 1 A 90 90 ALA CA C 90 50.240 51.220 -0.980 1 1 900 . 6 1 1 A 90 90 ALA CB C 90 23.220 22.387 0.833 1 1 901 . 6 1 1 A 90 90 ALA N N 90 116.480 118.027 -1.547 1 1 902 . 6 1 1 A 91 91 GLU H H 91 9.216 8.942 0.274 1 1 903 . 6 1 1 A 91 91 GLU HA H 91 4.931 5.260 -0.329 1 1 908 . 6 1 1 A 91 91 GLU C C 91 173.910 174.469 -0.559 1 1 909 . 6 1 1 A 91 91 GLU CA C 91 54.690 54.691 -0.001 1 1 910 . 6 1 1 A 91 91 GLU CB C 91 34.720 32.910 1.810 1 1 911 . 6 1 1 A 91 91 GLU N N 91 118.140 117.295 0.845 1 1 912 . 6 1 1 A 92 92 PHE H H 92 9.330 9.667 -0.337 1 1 913 . 6 1 1 A 92 92 PHE HA H 92 5.502 5.367 0.135 1 1 921 . 6 1 1 A 92 92 PHE C C 92 176.650 174.343 2.307 1 1 922 . 6 1 1 A 92 92 PHE CA C 92 56.760 56.790 -0.030 1 1 923 . 6 1 1 A 92 92 PHE CB C 92 41.690 40.443 1.247 1 1 924 . 6 1 1 A 92 92 PHE N N 92 119.490 122.028 -2.538 1 1 925 . 6 1 1 A 93 93 ARG H H 93 9.846 9.387 0.459 1 1 926 . 6 1 1 A 93 93 ARG HA H 93 5.610 4.989 0.621 1 1 934 . 6 1 1 A 93 93 ARG C C 93 175.010 174.671 0.339 1 1 935 . 6 1 1 A 93 93 ARG CA C 93 54.580 54.365 0.215 1 1 936 . 6 1 1 A 93 93 ARG CB C 93 34.220 33.266 0.954 1 1 937 . 6 1 1 A 93 93 ARG N N 93 127.300 125.333 1.967 1 1 939 . 6 1 1 A 94 94 ILE H H 94 8.521 9.217 -0.696 1 1 940 . 6 1 1 A 94 94 ILE HA H 94 4.410 4.631 -0.221 1 1 950 . 6 1 1 A 94 94 ILE C C 94 176.420 174.794 1.626 1 1 951 . 6 1 1 A 94 94 ILE CA C 94 61.130 59.841 1.289 1 1 952 . 6 1 1 A 94 94 ILE CB C 94 38.830 38.156 0.674 1 1 953 . 6 1 1 A 94 94 ILE N N 94 121.680 127.230 -5.550 1 1 954 . 6 1 1 A 95 95 ASN H H 95 8.847 9.198 -0.351 1 1 955 . 6 1 1 A 95 95 ASN HA H 95 4.796 5.120 -0.324 1 1 960 . 6 1 1 A 95 95 ASN C C 95 174.430 174.949 -0.519 1 1 961 . 6 1 1 A 95 95 ASN CA C 95 52.560 51.679 0.881 1 1 962 . 6 1 1 A 95 95 ASN CB C 95 40.510 40.513 -0.003 1 1 963 . 6 1 1 A 95 95 ASN N N 95 127.100 125.047 2.053 1 1 965 . 6 1 1 A 96 96 GLU H H 96 9.303 9.463 -0.160 1 1 966 . 6 1 1 A 96 96 GLU HA H 96 3.768 4.012 -0.244 1 1 971 . 6 1 1 A 96 96 GLU C C 96 176.280 176.445 -0.165 1 1 972 . 6 1 1 A 96 96 GLU CA C 96 57.150 57.568 -0.418 1 1 973 . 6 1 1 A 96 96 GLU CB C 96 27.590 28.042 -0.452 1 1 974 . 6 1 1 A 96 96 GLU N N 96 125.150 125.558 -0.408 1 1 975 . 6 1 1 A 97 97 GLY H H 97 7.937 8.383 -0.446 1 1 976 . 6 1 1 A 97 97 GLY HA2 H 97 4.042 3.738 0.304 1 1 977 . 6 1 1 A 97 97 GLY HA3 H 97 3.450 3.835 -0.385 1 1 978 . 6 1 1 A 97 97 GLY C C 97 172.990 173.637 -0.647 1 1 979 . 6 1 1 A 97 97 GLY CA C 97 45.390 45.273 0.117 1 1 980 . 6 1 1 A 97 97 GLY N N 97 104.330 104.788 -0.458 1 1 981 . 6 1 1 A 98 98 GLU H H 98 7.557 8.178 -0.621 1 1 982 . 6 1 1 A 98 98 GLU HA H 98 4.591 4.833 -0.242 1 1 987 . 6 1 1 A 98 98 GLU C C 98 174.530 175.886 -1.356 1 1 988 . 6 1 1 A 98 98 GLU CA C 98 54.770 55.491 -0.721 1 1 989 . 6 1 1 A 98 98 GLU CB C 98 32.290 31.565 0.725 1 1 990 . 6 1 1 A 98 98 GLU N N 98 119.350 120.023 -0.673 1 1 991 . 6 1 1 A 99 99 PHE H H 99 9.412 9.257 0.155 1 1 992 . 6 1 1 A 99 99 PHE HA H 99 5.007 5.340 -0.333 1 1 999 . 6 1 1 A 99 99 PHE C C 99 174.050 175.190 -1.140 1 1 1000 . 6 1 1 A 99 99 PHE CA C 99 57.260 56.867 0.393 1 1 1001 . 6 1 1 A 99 99 PHE CB C 99 42.110 41.094 1.016 1 1 1002 . 6 1 1 A 99 99 PHE N N 99 122.550 121.869 0.681 1 1 1003 . 6 1 1 A 100 100 GLU H H 100 9.444 9.525 -0.081 1 1 1004 . 6 1 1 A 100 100 GLU HA H 100 5.145 5.123 0.022 1 1 1009 . 6 1 1 A 100 100 GLU C C 100 175.340 175.074 0.266 1 1 1010 . 6 1 1 A 100 100 GLU CA C 100 54.080 54.766 -0.686 1 1 1011 . 6 1 1 A 100 100 GLU CB C 100 34.720 32.643 2.077 1 1 1012 . 6 1 1 A 100 100 GLU N N 100 124.080 121.392 2.688 1 1 1013 . 6 1 1 A 101 101 VAL H H 101 8.726 9.230 -0.504 1 1 1014 . 6 1 1 A 101 101 VAL HA H 101 4.900 4.420 0.480 1 1 1022 . 6 1 1 A 101 101 VAL C C 101 172.510 174.572 -2.062 1 1 1023 . 6 1 1 A 101 101 VAL CA C 101 58.710 61.085 -2.375 1 1 1024 . 6 1 1 A 101 101 VAL CB C 101 33.550 33.129 0.421 1 1 1025 . 6 1 1 A 101 101 VAL N N 101 124.500 124.290 0.210 1 1 1026 . 6 1 1 A 102 102 VAL H H 102 8.719 9.153 -0.434 1 1 1027 . 6 1 1 A 102 102 VAL HA H 102 4.578 4.639 -0.061 1 1 1035 . 6 1 1 A 102 102 VAL C C 102 175.380 173.690 1.690 1 1 1036 . 6 1 1 A 102 102 VAL CA C 102 60.370 60.897 -0.527 1 1 1037 . 6 1 1 A 102 102 VAL CB C 102 36.060 34.087 1.973 1 1 1038 . 6 1 1 A 102 102 VAL N N 102 125.900 127.862 -1.962 1 1 1039 . 6 1 1 A 103 103 ASP H H 103 8.626 9.175 -0.549 1 1 1040 . 6 1 1 A 103 103 ASP HA H 103 4.856 4.737 0.119 1 1 1043 . 6 1 1 A 103 103 ASP C C 103 177.300 177.899 -0.599 1 1 1044 . 6 1 1 A 103 103 ASP CA C 103 54.580 53.419 1.161 1 1 1045 . 6 1 1 A 103 103 ASP CB C 103 44.210 42.629 1.581 1 1 1046 . 6 1 1 A 103 103 ASP N N 103 127.250 127.845 -0.595 1 1 1047 . 6 1 1 A 104 104 VAL H H 104 7.890 8.293 -0.403 1 1 1048 . 6 1 1 A 104 104 VAL HA H 104 4.527 3.986 0.541 1 1 1056 . 6 1 1 A 104 104 VAL C C 104 174.490 176.086 -1.596 1 1 1057 . 6 1 1 A 104 104 VAL CA C 104 60.630 63.353 -2.723 1 1 1058 . 6 1 1 A 104 104 VAL CB C 104 29.350 32.145 -2.795 1 1 1059 . 6 1 1 A 104 104 VAL N N 104 119.270 122.485 -3.215 1 1 1060 . 6 1 1 A 105 105 GLY H H 105 8.690 8.121 0.569 1 1 1061 . 6 1 1 A 105 105 GLY HA2 H 105 4.270 3.980 0.290 1 1 1062 . 6 1 1 A 105 105 GLY HA3 H 105 3.685 3.988 -0.303 1 1 1063 . 6 1 1 A 105 105 GLY C C 105 175.490 174.667 0.823 1 1 1064 . 6 1 1 A 105 105 GLY CA C 105 45.650 45.254 0.396 1 1 1065 . 6 1 1 A 105 105 GLY N N 105 111.790 110.933 0.857 1 1 1066 . 6 1 1 A 106 106 SER H H 106 9.218 9.063 0.155 1 1 1067 . 6 1 1 A 106 106 SER HA H 106 3.894 4.567 -0.673 1 1 1070 . 6 1 1 A 106 106 SER C C 106 174.590 174.974 -0.384 1 1 1071 . 6 1 1 A 106 106 SER CA C 106 58.600 59.245 -0.645 1 1 1072 . 6 1 1 A 106 106 SER CB C 106 61.250 60.966 0.284 1 1 1073 . 6 1 1 A 106 106 SER N N 106 121.540 113.436 8.104 1 1 1074 . 6 1 1 A 107 107 LEU H H 107 8.018 7.911 0.107 1 1 1075 . 6 1 1 A 107 107 LEU HA H 107 4.240 3.884 0.356 1 1 1085 . 6 1 1 A 107 107 LEU C C 107 179.420 177.558 1.862 1 1 1086 . 6 1 1 A 107 107 LEU CA C 107 57.590 58.024 -0.434 1 1 1087 . 6 1 1 A 107 107 LEU CB C 107 42.360 41.280 1.080 1 1 1088 . 6 1 1 A 107 107 LEU N N 107 121.520 121.413 0.107 1 1 1089 . 6 1 1 A 108 108 ASN H H 108 8.799 7.895 0.904 1 1 1090 . 6 1 1 A 108 108 ASN HA H 108 4.986 3.836 1.150 1 1 1093 . 6 1 1 A 108 108 ASN C C 108 175.950 175.166 0.784 1 1 1094 . 6 1 1 A 108 108 ASN CA C 108 54.440 52.780 1.660 1 1 1095 . 6 1 1 A 108 108 ASN CB C 108 41.180 38.982 2.198 1 1 1096 . 6 1 1 A 108 108 ASN N N 108 111.800 115.363 -3.563 1 1 1097 . 6 1 1 A 109 109 GLY H H 109 8.025 7.754 0.271 1 1 1098 . 6 1 1 A 109 109 GLY HA2 H 109 4.237 3.766 0.471 1 1 1099 . 6 1 1 A 109 109 GLY HA3 H 109 3.621 3.837 -0.216 1 1 1100 . 6 1 1 A 109 109 GLY C C 109 173.820 174.979 -1.159 1 1 1101 . 6 1 1 A 109 109 GLY CA C 109 44.340 46.529 -2.189 1 1 1102 . 6 1 1 A 109 109 GLY N N 109 110.600 107.963 2.637 1 1 1103 . 6 1 1 A 110 110 THR H H 110 8.770 8.079 0.691 1 1 1104 . 6 1 1 A 110 110 THR HA H 110 4.797 4.324 0.473 1 1 1109 . 6 1 1 A 110 110 THR C C 110 172.570 174.289 -1.719 1 1 1110 . 6 1 1 A 110 110 THR CA C 110 64.540 63.548 0.992 1 1 1111 . 6 1 1 A 110 110 THR CB C 110 70.230 69.122 1.108 1 1 1112 . 6 1 1 A 110 110 THR N N 110 121.240 115.195 6.045 1 1 1113 . 6 1 1 A 111 111 TYR H H 111 8.272 9.233 -0.961 1 1 1114 . 6 1 1 A 111 111 TYR HA H 111 5.155 5.353 -0.198 1 1 1121 . 6 1 1 A 111 111 TYR C C 111 175.860 174.203 1.657 1 1 1122 . 6 1 1 A 111 111 TYR CA C 111 55.820 56.344 -0.524 1 1 1123 . 6 1 1 A 111 111 TYR CB C 111 41.100 41.598 -0.498 1 1 1124 . 6 1 1 A 111 111 TYR N N 111 123.680 126.046 -2.366 1 1 1125 . 6 1 1 A 112 112 VAL H H 112 9.017 9.407 -0.390 1 1 1126 . 6 1 1 A 112 112 VAL HA H 112 4.951 4.529 0.422 1 1 1134 . 6 1 1 A 112 112 VAL C C 112 176.780 176.091 0.689 1 1 1135 . 6 1 1 A 112 112 VAL CA C 112 61.130 61.125 0.005 1 1 1136 . 6 1 1 A 112 112 VAL CB C 112 32.870 34.392 -1.522 1 1 1137 . 6 1 1 A 112 112 VAL N N 112 121.300 124.198 -2.898 1 1 1138 . 6 1 1 A 113 113 ASN H H 113 10.285 9.048 1.237 1 1 1139 . 6 1 1 A 113 113 ASN HA H 113 4.483 4.753 -0.270 1 1 1144 . 6 1 1 A 113 113 ASN C C 113 174.590 174.158 0.432 1 1 1145 . 6 1 1 A 113 113 ASN CA C 113 55.160 54.306 0.854 1 1 1146 . 6 1 1 A 113 113 ASN CB C 113 37.240 37.046 0.194 1 1 1147 . 6 1 1 A 113 113 ASN N N 113 129.510 126.879 2.631 1 1 1149 . 6 1 1 A 114 114 ARG H H 114 9.459 8.476 0.983 1 1 1150 . 6 1 1 A 114 114 ARG HA H 114 3.659 3.505 0.154 1 1 1158 . 6 1 1 A 114 114 ARG C C 114 174.900 173.671 1.229 1 1 1159 . 6 1 1 A 114 114 ARG CA C 114 58.280 57.385 0.895 1 1 1160 . 6 1 1 A 114 114 ARG CB C 114 27.250 27.349 -0.099 1 1 1161 . 6 1 1 A 114 114 ARG N N 114 106.570 110.716 -4.146 1 1 1163 . 6 1 1 A 115 115 GLU H H 115 7.827 7.606 0.221 1 1 1164 . 6 1 1 A 115 115 GLU HA H 115 5.153 4.380 0.773 1 1 1169 . 6 1 1 A 115 115 GLU C C 115 173.950 173.718 0.232 1 1 1170 . 6 1 1 A 115 115 GLU CA C 115 52.990 52.620 0.370 1 1 1171 . 6 1 1 A 115 115 GLU N N 115 119.780 117.712 2.068 1 1 1172 . 6 1 1 A 116 116 PRO HA H 116 3.983 5.048 -1.065 1 1 1177 . 6 1 1 A 116 116 PRO C C 116 177.780 175.306 2.474 1 1 1178 . 6 1 1 A 116 116 PRO CA C 116 62.910 62.831 0.079 1 1 1179 . 6 1 1 A 116 116 PRO CB C 116 31.200 31.797 -0.597 1 1 1180 . 6 1 1 A 117 117 ARG H H 117 8.414 8.824 -0.410 1 1 1181 . 6 1 1 A 117 117 ARG HA H 117 4.699 4.781 -0.082 1 1 1189 . 6 1 1 A 117 117 ARG C C 117 175.260 175.573 -0.313 1 1 1190 . 6 1 1 A 117 117 ARG CA C 117 52.990 54.903 -1.913 1 1 1191 . 6 1 1 A 117 117 ARG CB C 117 24.560 33.499 -8.939 1 1 1192 . 6 1 1 A 117 117 ARG N N 117 121.900 123.859 -1.959 1 1 1194 . 6 1 1 A 118 118 ASN H H 118 8.741 8.989 -0.248 1 1 1195 . 6 1 1 A 118 118 ASN HA H 118 4.731 4.693 0.038 1 1 1200 . 6 1 1 A 118 118 ASN C C 118 175.220 174.155 1.065 1 1 1201 . 6 1 1 A 118 118 ASN CA C 118 55.090 54.971 0.119 1 1 1202 . 6 1 1 A 118 118 ASN CB C 118 38.920 39.227 -0.307 1 1 1203 . 6 1 1 A 118 118 ASN N N 118 120.190 121.367 -1.177 1 1 1205 . 6 1 1 A 119 119 ALA H H 119 7.372 7.775 -0.403 1 1 1206 . 6 1 1 A 119 119 ALA HA H 119 5.319 4.858 0.461 1 1 1210 . 6 1 1 A 119 119 ALA C C 119 176.720 175.110 1.610 1 1 1211 . 6 1 1 A 119 119 ALA CA C 119 52.120 51.048 1.072 1 1 1212 . 6 1 1 A 119 119 ALA CB C 119 21.460 22.439 -0.979 1 1 1213 . 6 1 1 A 119 119 ALA N N 119 120.380 119.432 0.948 1 1 1214 . 6 1 1 A 120 120 GLN H H 120 8.787 8.792 -0.005 1 1 1215 . 6 1 1 A 120 120 GLN HA H 120 4.505 4.585 -0.080 1 1 1222 . 6 1 1 A 120 120 GLN C C 120 174.380 173.963 0.417 1 1 1223 . 6 1 1 A 120 120 GLN CA C 120 56.030 55.008 1.022 1 1 1224 . 6 1 1 A 120 120 GLN CB C 120 32.790 32.971 -0.181 1 1 1225 . 6 1 1 A 120 120 GLN N N 120 121.180 121.486 -0.306 1 1 1227 . 6 1 1 A 121 121 VAL H H 121 8.692 8.599 0.093 1 1 1228 . 6 1 1 A 121 121 VAL HA H 121 4.258 4.231 0.027 1 1 1236 . 6 1 1 A 121 121 VAL C C 121 176.510 175.108 1.402 1 1 1237 . 6 1 1 A 121 121 VAL CA C 121 64.140 62.765 1.375 1 1 1238 . 6 1 1 A 121 121 VAL CB C 121 31.700 31.658 0.042 1 1 1239 . 6 1 1 A 121 121 VAL N N 121 129.930 126.432 3.498 1 1 1240 . 6 1 1 A 122 122 MET H H 122 8.924 9.189 -0.265 1 1 1241 . 6 1 1 A 122 122 MET HA H 122 4.419 4.863 -0.444 1 1 1249 . 6 1 1 A 122 122 MET C C 122 174.380 175.644 -1.264 1 1 1250 . 6 1 1 A 122 122 MET CA C 122 55.740 54.308 1.432 1 1 1251 . 6 1 1 A 122 122 MET CB C 122 35.140 34.019 1.121 1 1 1252 . 6 1 1 A 122 122 MET N N 122 129.560 127.608 1.952 1 1 1253 . 6 1 1 A 123 123 GLN H H 123 9.002 8.672 0.330 1 1 1254 . 6 1 1 A 123 123 GLN HA H 123 4.823 4.997 -0.174 1 1 1261 . 6 1 1 A 123 123 GLN C C 123 175.530 175.173 0.357 1 1 1262 . 6 1 1 A 123 123 GLN CA C 123 53.570 54.753 -1.183 1 1 1263 . 6 1 1 A 123 123 GLN CB C 123 32.290 30.853 1.437 1 1 1264 . 6 1 1 A 123 123 GLN N N 123 119.810 123.982 -4.172 1 1 1266 . 6 1 1 A 124 124 THR H H 124 9.036 8.746 0.290 1 1 1267 . 6 1 1 A 124 124 THR HA H 124 4.208 4.351 -0.143 1 1 1272 . 6 1 1 A 124 124 THR C C 124 175.300 175.068 0.232 1 1 1273 . 6 1 1 A 124 124 THR CA C 124 65.510 63.111 2.399 1 1 1274 . 6 1 1 A 124 124 THR CB C 124 69.560 68.595 0.965 1 1 1275 . 6 1 1 A 124 124 THR N N 124 119.570 113.551 6.019 1 1 1276 . 6 1 1 A 125 125 GLY H H 125 9.921 9.464 0.457 1 1 1277 . 6 1 1 A 125 125 GLY HA2 H 125 4.552 3.992 0.560 1 1 1278 . 6 1 1 A 125 125 GLY HA3 H 125 3.480 4.004 -0.524 1 1 1279 . 6 1 1 A 125 125 GLY C C 125 174.650 173.697 0.953 1 1 1280 . 6 1 1 A 125 125 GLY CA C 125 44.710 45.118 -0.408 1 1 1281 . 6 1 1 A 125 125 GLY N N 125 117.920 114.179 3.741 1 1 1282 . 6 1 1 A 126 126 ASP H H 126 8.638 7.788 0.850 1 1 1283 . 6 1 1 A 126 126 ASP HA H 126 4.876 4.972 -0.096 1 1 1286 . 6 1 1 A 126 126 ASP C C 126 174.650 175.453 -0.803 1 1 1287 . 6 1 1 A 126 126 ASP CA C 126 56.140 53.281 2.859 1 1 1288 . 6 1 1 A 126 126 ASP CB C 126 41.690 42.186 -0.496 1 1 1289 . 6 1 1 A 126 126 ASP N N 126 123.190 122.078 1.112 1 1 1290 . 6 1 1 A 127 127 GLU H H 127 8.316 8.705 -0.389 1 1 1291 . 6 1 1 A 127 127 GLU HA H 127 5.341 5.365 -0.024 1 1 1296 . 6 1 1 A 127 127 GLU C C 127 175.990 175.165 0.825 1 1 1297 . 6 1 1 A 127 127 GLU CA C 127 54.440 54.876 -0.436 1 1 1298 . 6 1 1 A 127 127 GLU CB C 127 32.790 33.078 -0.288 1 1 1299 . 6 1 1 A 127 127 GLU N N 127 118.480 123.412 -4.932 1 1 1300 . 6 1 1 A 128 128 ILE H H 128 9.910 9.233 0.677 1 1 1301 . 6 1 1 A 128 128 ILE HA H 128 5.334 4.969 0.365 1 1 1311 . 6 1 1 A 128 128 ILE C C 128 174.700 174.380 0.320 1 1 1312 . 6 1 1 A 128 128 ILE CA C 128 59.470 60.209 -0.739 1 1 1313 . 6 1 1 A 128 128 ILE CB C 128 40.600 40.060 0.540 1 1 1314 . 6 1 1 A 128 128 ILE N N 128 128.810 124.825 3.985 1 1 1315 . 6 1 1 A 129 129 GLN H H 129 9.502 9.633 -0.131 1 1 1316 . 6 1 1 A 129 129 GLN HA H 129 5.406 5.421 -0.015 1 1 1323 . 6 1 1 A 129 129 GLN C C 129 174.950 174.573 0.377 1 1 1324 . 6 1 1 A 129 129 GLN CA C 129 54.800 54.340 0.460 1 1 1325 . 6 1 1 A 129 129 GLN CB C 129 30.690 32.273 -1.583 1 1 1326 . 6 1 1 A 129 129 GLN N N 129 129.270 128.356 0.914 1 1 1328 . 6 1 1 A 130 130 ILE H H 130 8.498 9.253 -0.755 1 1 1329 . 6 1 1 A 130 130 ILE HA H 130 4.116 4.459 -0.343 1 1 1339 . 6 1 1 A 130 130 ILE C C 130 174.860 176.218 -1.358 1 1 1340 . 6 1 1 A 130 130 ILE CA C 130 60.740 60.110 0.630 1 1 1341 . 6 1 1 A 130 130 ILE CB C 130 41.440 39.594 1.846 1 1 1342 . 6 1 1 A 130 130 ILE N N 130 129.070 126.984 2.086 1 1 1343 . 6 1 1 A 131 131 GLY H H 131 9.924 8.988 0.936 1 1 1344 . 6 1 1 A 131 131 GLY HA2 H 131 3.768 3.926 -0.158 1 1 1345 . 6 1 1 A 131 131 GLY HA3 H 131 3.337 3.947 -0.610 1 1 1346 . 6 1 1 A 131 131 GLY C C 131 174.590 174.824 -0.234 1 1 1347 . 6 1 1 A 131 131 GLY CA C 131 46.700 47.452 -0.752 1 1 1348 . 6 1 1 A 131 131 GLY N N 131 116.470 118.235 -1.765 1 1 1349 . 6 1 1 A 132 132 LYS H H 132 7.141 8.469 -1.328 1 1 1350 . 6 1 1 A 132 132 LYS HA H 132 3.750 4.311 -0.561 1 1 1357 . 6 1 1 A 132 132 LYS C C 132 175.820 175.610 0.210 1 1 1358 . 6 1 1 A 132 132 LYS CA C 132 57.550 55.798 1.752 1 1 1359 . 6 1 1 A 132 132 LYS CB C 132 33.300 33.716 -0.416 1 1 1360 . 6 1 1 A 132 132 LYS N N 132 122.960 125.862 -2.902 1 1 1361 . 6 1 1 A 133 133 PHE H H 133 8.360 8.246 0.114 1 1 1362 . 6 1 1 A 133 133 PHE HA H 133 4.601 5.274 -0.673 1 1 1370 . 6 1 1 A 133 133 PHE C C 133 174.910 174.688 0.222 1 1 1371 . 6 1 1 A 133 133 PHE CA C 133 58.600 57.191 1.409 1 1 1372 . 6 1 1 A 133 133 PHE CB C 133 40.510 41.163 -0.653 1 1 1373 . 6 1 1 A 133 133 PHE N N 133 118.170 119.467 -1.297 1 1 1374 . 6 1 1 A 134 134 ARG H H 134 8.698 9.139 -0.441 1 1 1375 . 6 1 1 A 134 134 ARG HA H 134 5.212 5.209 0.003 1 1 1383 . 6 1 1 A 134 134 ARG C C 134 175.150 174.382 0.768 1 1 1384 . 6 1 1 A 134 134 ARG CA C 134 55.060 54.831 0.229 1 1 1385 . 6 1 1 A 134 134 ARG CB C 134 33.550 33.890 -0.340 1 1 1386 . 6 1 1 A 134 134 ARG N N 134 120.770 121.356 -0.586 1 1 1388 . 6 1 1 A 135 135 LEU H H 135 9.904 9.561 0.343 1 1 1389 . 6 1 1 A 135 135 LEU HA H 135 5.544 5.275 0.269 1 1 1399 . 6 1 1 A 135 135 LEU C C 135 175.260 175.814 -0.554 1 1 1400 . 6 1 1 A 135 135 LEU CA C 135 53.930 53.442 0.488 1 1 1401 . 6 1 1 A 135 135 LEU CB C 135 45.550 44.456 1.094 1 1 1402 . 6 1 1 A 135 135 LEU N N 135 127.130 128.351 -1.221 1 1 1403 . 6 1 1 A 136 136 VAL H H 136 9.350 9.527 -0.177 1 1 1404 . 6 1 1 A 136 136 VAL HA H 136 5.226 4.700 0.526 1 1 1412 . 6 1 1 A 136 136 VAL C C 136 174.050 174.271 -0.221 1 1 1413 . 6 1 1 A 136 136 VAL CA C 136 60.520 61.104 -0.584 1 1 1414 . 6 1 1 A 136 136 VAL CB C 136 34.890 33.400 1.490 1 1 1415 . 6 1 1 A 136 136 VAL N N 136 121.300 122.729 -1.429 1 1 1416 . 6 1 1 A 137 137 PHE H H 137 8.492 9.316 -0.824 1 1 1417 . 6 1 1 A 137 137 PHE HA H 137 5.007 5.064 -0.057 1 1 1424 . 6 1 1 A 137 137 PHE C C 137 173.340 173.937 -0.597 1 1 1425 . 6 1 1 A 137 137 PHE CA C 137 57.010 56.324 0.686 1 1 1426 . 6 1 1 A 137 137 PHE CB C 137 41.770 40.711 1.059 1 1 1427 . 6 1 1 A 137 137 PHE N N 137 127.550 128.862 -1.312 1 1 1428 . 6 1 1 A 138 138 LEU H H 138 8.535 8.432 0.103 1 1 1429 . 6 1 1 A 138 138 LEU HA H 138 4.345 4.717 -0.372 1 1 1439 . 6 1 1 A 138 138 LEU C C 138 173.390 175.681 -2.291 1 1 1440 . 6 1 1 A 138 138 LEU CA C 138 53.680 53.245 0.435 1 1 1441 . 6 1 1 A 138 138 LEU CB C 138 45.210 45.380 -0.170 1 1 1442 . 6 1 1 A 138 138 LEU N N 138 128.590 127.906 0.684 1 1 1443 . 6 1 1 A 139 139 ALA H H 139 7.502 8.456 -0.954 1 1 1444 . 6 1 1 A 139 139 ALA HA H 139 3.952 4.091 -0.139 1 1 1448 . 6 1 1 A 139 139 ALA C C 139 178.010 177.758 0.252 1 1 1449 . 6 1 1 A 139 139 ALA CA C 139 51.650 51.574 0.076 1 1 1450 . 6 1 1 A 139 139 ALA CB C 139 20.700 19.404 1.296 1 1 1451 . 6 1 1 A 139 139 ALA N N 139 123.250 125.435 -2.185 1 1 1452 . 6 1 1 A 140 140 GLY H H 140 7.968 8.703 -0.735 1 1 1453 . 6 1 1 A 140 140 GLY HA2 H 140 4.202 4.003 0.199 1 1 1454 . 6 1 1 A 140 140 GLY HA3 H 140 3.595 4.043 -0.448 1 1 1455 . 6 1 1 A 140 140 GLY C C 140 171.240 173.071 -1.831 1 1 1456 . 6 1 1 A 140 140 GLY CA C 140 44.710 44.555 0.155 1 1 1457 . 6 1 1 A 140 140 GLY N N 140 108.040 106.529 1.511 1 1 1458 . 6 1 1 A 141 141 PRO HA H 141 4.460 4.465 -0.005 1 1 1463 . 6 1 1 A 141 141 PRO C C 141 176.150 176.624 -0.474 1 1 1464 . 6 1 1 A 141 141 PRO CA C 141 63.230 63.108 0.122 1 1 1465 . 6 1 1 A 141 141 PRO CB C 141 32.370 32.277 0.093 1 1 1466 . 6 1 1 A 142 142 ALA H H 142 8.496 8.338 0.158 1 1 1467 . 6 1 1 A 142 142 ALA HA H 142 4.363 4.449 -0.086 1 1 1471 . 6 1 1 A 142 142 ALA C C 142 177.320 177.042 0.278 1 1 1472 . 6 1 1 A 142 142 ALA CA C 142 52.740 51.475 1.265 1 1 1473 . 6 1 1 A 142 142 ALA CB C 142 19.780 19.087 0.693 1 1 1474 . 6 1 1 A 142 142 ALA N N 142 124.080 124.404 -0.324 1 1 4 . 7 1 1 A 2 2 SER H H 2 8.404 9.244 -0.840 1 1 5 . 7 1 1 A 2 2 SER HA H 2 4.430 4.026 0.404 1 1 8 . 7 1 1 A 2 2 SER C C 2 174.220 173.643 0.577 1 1 9 . 7 1 1 A 2 2 SER CA C 2 58.650 61.141 -2.491 1 1 10 . 7 1 1 A 2 2 SER CB C 2 64.280 61.463 2.817 1 1 11 . 7 1 1 A 2 2 SER N N 2 116.880 115.010 1.870 1 1 12 . 7 1 1 A 3 3 ASP H H 3 8.314 8.607 -0.293 1 1 13 . 7 1 1 A 3 3 ASP HA H 3 4.594 4.164 0.430 1 1 16 . 7 1 1 A 3 3 ASP C C 3 176.070 174.439 1.631 1 1 17 . 7 1 1 A 3 3 ASP CA C 3 54.580 55.612 -1.032 1 1 18 . 7 1 1 A 3 3 ASP CB C 3 41.530 39.399 2.131 1 1 19 . 7 1 1 A 3 3 ASP N N 3 122.210 117.316 4.894 1 1 20 . 7 1 1 A 4 4 ASN H H 4 8.326 7.853 0.473 1 1 21 . 7 1 1 A 4 4 ASN HA H 4 4.748 5.140 -0.392 1 1 24 . 7 1 1 A 4 4 ASN C C 4 175.130 172.997 2.133 1 1 25 . 7 1 1 A 4 4 ASN CA C 4 53.430 52.754 0.676 1 1 26 . 7 1 1 A 4 4 ASN CB C 4 38.920 42.484 -3.564 1 1 27 . 7 1 1 A 4 4 ASN N N 4 118.670 115.588 3.082 1 1 28 . 7 1 1 A 5 5 ASN H H 5 8.467 8.747 -0.280 1 1 29 . 7 1 1 A 5 5 ASN HA H 5 4.702 4.831 -0.129 1 1 32 . 7 1 1 A 5 5 ASN C C 5 175.700 175.119 0.581 1 1 33 . 7 1 1 A 5 5 ASN CA C 5 53.610 52.179 1.431 1 1 34 . 7 1 1 A 5 5 ASN CB C 5 39.090 37.880 1.210 1 1 35 . 7 1 1 A 5 5 ASN N N 5 119.070 123.437 -4.367 1 1 36 . 7 1 1 A 6 6 GLY H H 6 8.333 8.267 0.066 1 1 37 . 7 1 1 A 6 6 GLY HA2 H 6 3.960 3.851 0.109 1 1 38 . 7 1 1 A 6 6 GLY HA3 H 6 3.960 3.852 0.108 1 1 39 . 7 1 1 A 6 6 GLY C C 6 174.050 173.989 0.061 1 1 40 . 7 1 1 A 6 6 GLY CA C 6 45.390 46.995 -1.605 1 1 41 . 7 1 1 A 6 6 GLY N N 6 109.000 113.018 -4.018 1 1 42 . 7 1 1 A 7 7 THR H H 7 8.076 8.125 -0.049 1 1 43 . 7 1 1 A 7 7 THR HA H 7 4.591 4.654 -0.063 1 1 48 . 7 1 1 A 7 7 THR C C 7 172.840 173.205 -0.365 1 1 49 . 7 1 1 A 7 7 THR CA C 7 60.050 59.348 0.702 1 1 50 . 7 1 1 A 7 7 THR N N 7 116.910 113.341 3.569 1 1 51 . 7 1 1 A 8 8 PRO HA H 8 4.414 4.685 -0.271 1 1 54 . 7 1 1 A 8 8 PRO C C 8 176.690 177.049 -0.359 1 1 55 . 7 1 1 A 8 8 PRO CA C 8 63.090 62.558 0.532 1 1 56 . 7 1 1 A 8 8 PRO CB C 8 32.290 32.566 -0.276 1 1 57 . 7 1 1 A 9 9 GLU H H 9 8.467 8.455 0.012 1 1 58 . 7 1 1 A 9 9 GLU HA H 9 4.527 4.527 0.000 1 1 63 . 7 1 1 A 9 9 GLU C C 9 174.680 175.421 -0.741 1 1 64 . 7 1 1 A 9 9 GLU CA C 9 54.550 54.954 -0.404 1 1 65 . 7 1 1 A 9 9 GLU N N 9 122.910 119.583 3.327 1 1 66 . 7 1 1 A 10 10 PRO HA H 10 4.371 4.609 -0.238 1 1 71 . 7 1 1 A 10 10 PRO C C 10 176.820 175.874 0.946 1 1 72 . 7 1 1 A 10 10 PRO CA C 10 63.300 63.211 0.089 1 1 73 . 7 1 1 A 10 10 PRO CB C 10 32.290 31.770 0.520 1 1 74 . 7 1 1 A 11 11 GLN H H 11 8.543 8.644 -0.101 1 1 75 . 7 1 1 A 11 11 GLN HA H 11 4.334 4.905 -0.571 1 1 82 . 7 1 1 A 11 11 GLN C C 11 176.010 174.413 1.597 1 1 83 . 7 1 1 A 11 11 GLN CA C 11 55.710 54.463 1.247 1 1 84 . 7 1 1 A 11 11 GLN CB C 11 29.520 31.668 -2.148 1 1 85 . 7 1 1 A 11 11 GLN N N 11 121.100 123.603 -2.503 1 1 87 . 7 1 1 A 12 12 VAL H H 12 8.201 8.628 -0.427 1 1 88 . 7 1 1 A 12 12 VAL HA H 12 4.144 4.746 -0.602 1 1 96 . 7 1 1 A 12 12 VAL C C 12 175.940 174.811 1.129 1 1 97 . 7 1 1 A 12 12 VAL CA C 12 62.110 61.018 1.092 1 1 98 . 7 1 1 A 12 12 VAL CB C 12 32.800 33.688 -0.888 1 1 99 . 7 1 1 A 12 12 VAL N N 12 122.070 123.949 -1.879 1 1 100 . 7 1 1 A 13 13 GLU H H 13 8.593 8.480 0.113 1 1 101 . 7 1 1 A 13 13 GLU HA H 13 4.329 4.585 -0.256 1 1 106 . 7 1 1 A 13 13 GLU C C 13 176.720 174.474 2.246 1 1 107 . 7 1 1 A 13 13 GLU CA C 13 56.830 55.785 1.045 1 1 108 . 7 1 1 A 13 13 GLU CB C 13 30.860 34.266 -3.406 1 1 109 . 7 1 1 A 13 13 GLU N N 13 124.660 125.724 -1.064 1 1 138 . 7 1 1 A 17 17 VAL H H 17 8.458 8.615 -0.157 1 1 139 . 7 1 1 A 17 17 VAL HA H 17 4.183 4.661 -0.478 1 1 147 . 7 1 1 A 17 17 VAL C C 17 175.950 175.684 0.266 1 1 148 . 7 1 1 A 17 17 VAL CA C 17 63.780 62.665 1.115 1 1 149 . 7 1 1 A 17 17 VAL CB C 17 32.460 31.209 1.251 1 1 150 . 7 1 1 A 17 17 VAL N N 17 124.860 124.596 0.264 1 1 151 . 7 1 1 A 18 18 PHE H H 18 8.579 8.788 -0.209 1 1 152 . 7 1 1 A 18 18 PHE HA H 18 4.650 5.754 -1.104 1 1 160 . 7 1 1 A 18 18 PHE C C 18 173.450 172.968 0.482 1 1 161 . 7 1 1 A 18 18 PHE CA C 18 57.480 55.051 2.429 1 1 162 . 7 1 1 A 18 18 PHE CB C 18 41.950 42.752 -0.802 1 1 163 . 7 1 1 A 18 18 PHE N N 18 127.160 123.687 3.473 1 1 164 . 7 1 1 A 19 19 ARG H H 19 7.920 8.854 -0.934 1 1 165 . 7 1 1 A 19 19 ARG HA H 19 4.196 4.707 -0.511 1 1 170 . 7 1 1 A 19 19 ARG C C 19 174.930 176.233 -1.303 1 1 171 . 7 1 1 A 19 19 ARG CA C 19 54.800 55.287 -0.487 1 1 172 . 7 1 1 A 19 19 ARG CB C 19 30.610 31.530 -0.920 1 1 173 . 7 1 1 A 19 19 ARG N N 19 127.500 122.014 5.486 1 1 174 . 7 1 1 A 20 20 ALA H H 20 8.067 8.564 -0.497 1 1 175 . 7 1 1 A 20 20 ALA HA H 20 3.729 4.664 -0.935 1 1 179 . 7 1 1 A 20 20 ALA C C 20 177.630 178.232 -0.602 1 1 180 . 7 1 1 A 20 20 ALA CA C 20 53.280 51.451 1.829 1 1 181 . 7 1 1 A 20 20 ALA CB C 20 18.860 19.837 -0.977 1 1 182 . 7 1 1 A 20 20 ALA N N 20 126.460 129.540 -3.080 1 1 183 . 7 1 1 A 21 21 ASP H H 21 8.355 8.776 -0.421 1 1 184 . 7 1 1 A 21 21 ASP HA H 21 4.350 4.589 -0.239 1 1 187 . 7 1 1 A 21 21 ASP C C 21 176.720 177.429 -0.709 1 1 188 . 7 1 1 A 21 21 ASP CA C 21 54.480 55.862 -1.382 1 1 189 . 7 1 1 A 21 21 ASP CB C 21 40.350 40.292 0.058 1 1 190 . 7 1 1 A 21 21 ASP N N 21 117.850 117.506 0.344 1 1 191 . 7 1 1 A 22 22 LEU H H 22 7.705 7.809 -0.104 1 1 192 . 7 1 1 A 22 22 LEU HA H 22 4.088 3.849 0.239 1 1 202 . 7 1 1 A 22 22 LEU C C 22 177.760 178.480 -0.720 1 1 203 . 7 1 1 A 22 22 LEU CA C 22 55.780 57.718 -1.938 1 1 204 . 7 1 1 A 22 22 LEU CB C 22 41.860 41.130 0.730 1 1 205 . 7 1 1 A 22 22 LEU N N 22 121.600 118.337 3.263 1 1 206 . 7 1 1 A 23 23 LEU H H 23 7.717 7.761 -0.044 1 1 207 . 7 1 1 A 23 23 LEU HA H 23 4.166 4.041 0.125 1 1 217 . 7 1 1 A 23 23 LEU C C 23 177.840 178.232 -0.392 1 1 218 . 7 1 1 A 23 23 LEU CA C 23 55.960 57.373 -1.413 1 1 219 . 7 1 1 A 23 23 LEU CB C 23 41.950 41.202 0.748 1 1 220 . 7 1 1 A 23 23 LEU N N 23 120.360 121.100 -0.740 1 1 221 . 7 1 1 A 24 24 LYS H H 24 7.933 7.926 0.007 1 1 222 . 7 1 1 A 24 24 LYS HA H 24 4.174 4.243 -0.069 1 1 229 . 7 1 1 A 24 24 LYS C C 24 177.190 178.383 -1.193 1 1 230 . 7 1 1 A 24 24 LYS CA C 24 57.050 57.743 -0.693 1 1 231 . 7 1 1 A 24 24 LYS CB C 24 32.880 33.043 -0.163 1 1 232 . 7 1 1 A 24 24 LYS N N 24 121.120 119.030 2.090 1 1 233 . 7 1 1 A 25 25 GLU H H 25 8.160 8.391 -0.231 1 1 234 . 7 1 1 A 25 25 GLU HA H 25 4.199 3.950 0.249 1 1 239 . 7 1 1 A 25 25 GLU C C 25 176.900 179.252 -2.352 1 1 240 . 7 1 1 A 25 25 GLU CA C 25 57.010 59.559 -2.549 1 1 241 . 7 1 1 A 25 25 GLU CB C 25 30.280 29.082 1.198 1 1 242 . 7 1 1 A 25 25 GLU N N 25 121.550 120.087 1.463 1 1 243 . 7 1 1 A 26 26 MET H H 26 8.270 8.073 0.197 1 1 244 . 7 1 1 A 26 26 MET HA H 26 4.360 4.145 0.215 1 1 252 . 7 1 1 A 26 26 MET C C 26 176.440 178.288 -1.848 1 1 253 . 7 1 1 A 26 26 MET CA C 26 56.180 58.093 -1.913 1 1 254 . 7 1 1 A 26 26 MET CB C 26 33.050 32.213 0.837 1 1 255 . 7 1 1 A 26 26 MET N N 26 120.730 118.657 2.073 1 1 256 . 7 1 1 A 27 27 GLU H H 27 8.297 7.710 0.587 1 1 257 . 7 1 1 A 27 27 GLU HA H 27 4.264 4.191 0.073 1 1 262 . 7 1 1 A 27 27 GLU C C 27 176.650 178.787 -2.137 1 1 263 . 7 1 1 A 27 27 GLU CA C 27 56.830 58.914 -2.084 1 1 264 . 7 1 1 A 27 27 GLU CB C 27 30.530 30.181 0.349 1 1 265 . 7 1 1 A 27 27 GLU N N 27 121.650 120.942 0.708 1 1 266 . 7 1 1 A 28 28 SER H H 28 8.279 8.515 -0.236 1 1 267 . 7 1 1 A 28 28 SER HA H 28 4.473 4.162 0.311 1 1 270 . 7 1 1 A 28 28 SER C C 28 174.760 176.031 -1.271 1 1 271 . 7 1 1 A 28 28 SER CA C 28 58.460 61.919 -3.459 1 1 272 . 7 1 1 A 28 28 SER CB C 28 64.190 62.850 1.340 1 1 273 . 7 1 1 A 28 28 SER N N 28 116.610 118.084 -1.474 1 1 274 . 7 1 1 A 29 29 SER H H 29 8.443 8.247 0.196 1 1 275 . 7 1 1 A 29 29 SER HA H 29 4.541 4.445 0.096 1 1 278 . 7 1 1 A 29 29 SER C C 29 174.950 173.774 1.176 1 1 279 . 7 1 1 A 29 29 SER CA C 29 58.530 58.523 0.007 1 1 280 . 7 1 1 A 29 29 SER CB C 29 64.190 63.504 0.686 1 1 281 . 7 1 1 A 29 29 SER N N 29 118.290 113.237 5.053 1 1 282 . 7 1 1 A 30 30 THR H H 30 8.220 8.096 0.124 1 1 283 . 7 1 1 A 30 30 THR HA H 30 4.372 4.054 0.318 1 1 288 . 7 1 1 A 30 30 THR C C 30 175.280 174.779 0.501 1 1 289 . 7 1 1 A 30 30 THR CA C 30 62.260 62.516 -0.256 1 1 290 . 7 1 1 A 30 30 THR CB C 30 69.900 67.703 2.197 1 1 291 . 7 1 1 A 30 30 THR N N 30 115.600 113.550 2.050 1 1 292 . 7 1 1 A 31 31 GLY H H 31 8.401 8.389 0.012 1 1 293 . 7 1 1 A 31 31 GLY HA2 H 31 4.005 3.845 0.160 1 1 294 . 7 1 1 A 31 31 GLY HA3 H 31 4.005 3.847 0.158 1 1 295 . 7 1 1 A 31 31 GLY C C 31 174.160 173.545 0.615 1 1 296 . 7 1 1 A 31 31 GLY CA C 31 45.470 46.382 -0.912 1 1 297 . 7 1 1 A 31 31 GLY N N 31 111.270 114.739 -3.469 1 1 298 . 7 1 1 A 32 32 THR H H 32 8.034 8.326 -0.292 1 1 299 . 7 1 1 A 32 32 THR HA H 32 4.319 5.158 -0.839 1 1 304 . 7 1 1 A 32 32 THR C C 32 174.130 172.635 1.495 1 1 305 . 7 1 1 A 32 32 THR CA C 32 61.710 59.450 2.260 1 1 306 . 7 1 1 A 32 32 THR CB C 32 70.150 71.701 -1.551 1 1 307 . 7 1 1 A 32 32 THR N N 32 113.770 117.127 -3.357 1 1 308 . 7 1 1 A 33 33 ALA H H 33 8.410 8.814 -0.404 1 1 309 . 7 1 1 A 33 33 ALA HA H 33 4.581 4.764 -0.183 1 1 313 . 7 1 1 A 33 33 ALA C C 33 175.490 175.635 -0.145 1 1 314 . 7 1 1 A 33 33 ALA CA C 33 50.680 48.823 1.857 1 1 315 . 7 1 1 A 33 33 ALA N N 33 128.320 129.861 -1.541 1 1 316 . 7 1 1 A 34 34 PRO HA H 34 4.389 4.630 -0.241 1 1 321 . 7 1 1 A 34 34 PRO C C 34 176.650 176.464 0.186 1 1 322 . 7 1 1 A 34 34 PRO CA C 34 63.090 62.388 0.702 1 1 323 . 7 1 1 A 34 34 PRO CB C 34 32.210 32.059 0.151 1 1 324 . 7 1 1 A 35 35 ALA H H 35 8.433 8.292 0.141 1 1 325 . 7 1 1 A 35 35 ALA HA H 35 4.275 4.803 -0.528 1 1 329 . 7 1 1 A 35 35 ALA C C 35 177.730 176.317 1.413 1 1 330 . 7 1 1 A 35 35 ALA CA C 35 52.590 50.907 1.683 1 1 331 . 7 1 1 A 35 35 ALA CB C 35 19.450 21.225 -1.775 1 1 332 . 7 1 1 A 35 35 ALA N N 35 124.330 123.871 0.459 1 1 333 . 7 1 1 A 36 36 SER H H 36 8.259 8.769 -0.510 1 1 334 . 7 1 1 A 36 36 SER HA H 36 4.474 4.774 -0.300 1 1 337 . 7 1 1 A 36 36 SER C C 36 174.860 173.700 1.160 1 1 338 . 7 1 1 A 36 36 SER CA C 36 58.130 58.487 -0.357 1 1 339 . 7 1 1 A 36 36 SER CB C 36 64.190 63.843 0.347 1 1 340 . 7 1 1 A 36 36 SER N N 36 114.560 118.661 -4.101 1 1 341 . 7 1 1 A 37 37 THR H H 37 8.325 8.901 -0.576 1 1 342 . 7 1 1 A 37 37 THR HA H 37 4.281 4.408 -0.127 1 1 346 . 7 1 1 A 37 37 THR C C 37 175.110 175.162 -0.052 1 1 347 . 7 1 1 A 37 37 THR CA C 37 62.260 63.297 -1.037 1 1 348 . 7 1 1 A 37 37 THR CB C 37 70.150 68.016 2.134 1 1 349 . 7 1 1 A 37 37 THR N N 37 115.300 123.008 -7.708 1 1 350 . 7 1 1 A 38 38 GLY H H 38 8.511 8.559 -0.048 1 1 351 . 7 1 1 A 38 38 GLY HA2 H 38 3.975 4.233 -0.258 1 1 352 . 7 1 1 A 38 38 GLY HA3 H 38 3.809 4.241 -0.432 1 1 353 . 7 1 1 A 38 38 GLY C C 38 174.470 174.969 -0.499 1 1 354 . 7 1 1 A 38 38 GLY CA C 38 45.470 45.774 -0.304 1 1 355 . 7 1 1 A 38 38 GLY N N 38 110.440 114.518 -4.078 1 1 356 . 7 1 1 A 39 39 ALA H H 39 8.245 7.931 0.314 1 1 357 . 7 1 1 A 39 39 ALA HA H 39 4.164 4.447 -0.283 1 1 361 . 7 1 1 A 39 39 ALA C C 39 177.590 179.617 -2.027 1 1 362 . 7 1 1 A 39 39 ALA CA C 39 52.560 54.737 -2.177 1 1 363 . 7 1 1 A 39 39 ALA CB C 39 19.360 19.261 0.099 1 1 364 . 7 1 1 A 39 39 ALA N N 39 124.080 121.314 2.766 1 1 365 . 7 1 1 A 40 40 GLU H H 40 8.721 8.322 0.399 1 1 366 . 7 1 1 A 40 40 GLU HA H 40 4.083 4.185 -0.102 1 1 371 . 7 1 1 A 40 40 GLU C C 40 176.320 177.402 -1.082 1 1 372 . 7 1 1 A 40 40 GLU CA C 40 57.910 57.721 0.189 1 1 373 . 7 1 1 A 40 40 GLU CB C 40 29.520 28.526 0.994 1 1 374 . 7 1 1 A 40 40 GLU N N 40 118.270 116.237 2.033 1 1 375 . 7 1 1 A 41 41 ASN H H 41 8.226 7.886 0.340 1 1 376 . 7 1 1 A 41 41 ASN HA H 41 4.716 4.741 -0.025 1 1 381 . 7 1 1 A 41 41 ASN C C 41 174.800 174.987 -0.187 1 1 382 . 7 1 1 A 41 41 ASN CA C 41 52.880 54.296 -1.416 1 1 383 . 7 1 1 A 41 41 ASN CB C 41 38.840 39.049 -0.209 1 1 384 . 7 1 1 A 41 41 ASN N N 41 117.620 117.355 0.265 1 1 386 . 7 1 1 A 42 42 LEU H H 42 7.629 7.791 -0.162 1 1 387 . 7 1 1 A 42 42 LEU HA H 42 4.418 4.064 0.354 1 1 397 . 7 1 1 A 42 42 LEU C C 42 174.610 177.193 -2.583 1 1 398 . 7 1 1 A 42 42 LEU CA C 42 53.170 55.446 -2.276 1 1 399 . 7 1 1 A 42 42 LEU N N 42 123.010 116.502 6.508 1 1 400 . 7 1 1 A 43 43 PRO HA H 43 4.366 4.322 0.044 1 1 407 . 7 1 1 A 43 43 PRO C C 43 177.050 177.138 -0.088 1 1 408 . 7 1 1 A 43 43 PRO CA C 43 62.260 66.091 -3.831 1 1 409 . 7 1 1 A 43 43 PRO CB C 43 32.380 31.300 1.080 1 1 410 . 7 1 1 A 44 44 ALA H H 44 8.552 7.826 0.726 1 1 411 . 7 1 1 A 44 44 ALA HA H 44 4.223 4.512 -0.289 1 1 415 . 7 1 1 A 44 44 ALA C C 44 179.500 178.748 0.752 1 1 416 . 7 1 1 A 44 44 ALA CA C 44 53.250 51.778 1.472 1 1 417 . 7 1 1 A 44 44 ALA CB C 44 18.190 21.407 -3.217 1 1 418 . 7 1 1 A 44 44 ALA N N 44 125.070 117.626 7.444 1 1 419 . 7 1 1 A 45 45 GLY H H 45 8.897 8.738 0.159 1 1 420 . 7 1 1 A 45 45 GLY HA2 H 45 4.214 3.962 0.252 1 1 421 . 7 1 1 A 45 45 GLY HA3 H 45 3.833 4.027 -0.194 1 1 422 . 7 1 1 A 45 45 GLY C C 45 173.720 173.719 0.001 1 1 423 . 7 1 1 A 45 45 GLY CA C 45 45.790 45.502 0.288 1 1 424 . 7 1 1 A 45 45 GLY N N 45 110.600 108.609 1.991 1 1 425 . 7 1 1 A 46 46 SER H H 46 7.690 7.946 -0.256 1 1 426 . 7 1 1 A 46 46 SER HA H 46 5.338 5.063 0.275 1 1 429 . 7 1 1 A 46 46 SER C C 46 172.990 173.214 -0.224 1 1 430 . 7 1 1 A 46 46 SER CA C 46 57.810 57.657 0.153 1 1 431 . 7 1 1 A 46 46 SER CB C 46 66.960 66.381 0.579 1 1 432 . 7 1 1 A 46 46 SER N N 46 114.180 117.796 -3.616 1 1 433 . 7 1 1 A 47 47 ALA H H 47 8.435 8.883 -0.448 1 1 434 . 7 1 1 A 47 47 ALA HA H 47 4.338 4.878 -0.540 1 1 438 . 7 1 1 A 47 47 ALA C C 47 173.840 175.851 -2.011 1 1 439 . 7 1 1 A 47 47 ALA CA C 47 51.690 51.258 0.432 1 1 440 . 7 1 1 A 47 47 ALA CB C 47 24.570 23.513 1.057 1 1 441 . 7 1 1 A 47 47 ALA N N 47 120.900 123.519 -2.619 1 1 442 . 7 1 1 A 48 48 LEU H H 48 8.673 8.346 0.327 1 1 443 . 7 1 1 A 48 48 LEU HA H 48 5.021 5.510 -0.489 1 1 453 . 7 1 1 A 48 48 LEU C C 48 174.680 175.179 -0.499 1 1 454 . 7 1 1 A 48 48 LEU CA C 48 53.350 53.090 0.260 1 1 455 . 7 1 1 A 48 48 LEU CB C 48 48.150 46.436 1.714 1 1 456 . 7 1 1 A 48 48 LEU N N 48 120.170 116.605 3.565 1 1 457 . 7 1 1 A 49 49 LEU H H 49 8.686 8.859 -0.173 1 1 458 . 7 1 1 A 49 49 LEU HA H 49 5.403 5.489 -0.086 1 1 468 . 7 1 1 A 49 49 LEU C C 49 176.170 174.870 1.300 1 1 469 . 7 1 1 A 49 49 LEU CA C 49 52.810 53.173 -0.363 1 1 470 . 7 1 1 A 49 49 LEU CB C 49 46.310 44.951 1.359 1 1 471 . 7 1 1 A 49 49 LEU N N 49 120.170 119.145 1.025 1 1 472 . 7 1 1 A 50 50 VAL H H 50 8.874 9.436 -0.562 1 1 473 . 7 1 1 A 50 50 VAL HA H 50 4.971 5.075 -0.104 1 1 481 . 7 1 1 A 50 50 VAL C C 50 176.740 174.377 2.363 1 1 482 . 7 1 1 A 50 50 VAL CA C 50 59.940 60.040 -0.100 1 1 483 . 7 1 1 A 50 50 VAL CB C 50 34.970 34.328 0.642 1 1 484 . 7 1 1 A 50 50 VAL N N 50 120.580 122.226 -1.646 1 1 485 . 7 1 1 A 51 51 VAL H H 51 8.984 9.379 -0.395 1 1 486 . 7 1 1 A 51 51 VAL HA H 51 4.155 4.147 0.008 1 1 494 . 7 1 1 A 51 51 VAL C C 51 176.050 176.045 0.005 1 1 495 . 7 1 1 A 51 51 VAL CA C 51 64.280 62.936 1.344 1 1 496 . 7 1 1 A 51 51 VAL CB C 51 31.280 31.577 -0.297 1 1 497 . 7 1 1 A 51 51 VAL N N 51 125.710 128.309 -2.599 1 1 498 . 7 1 1 A 52 52 LYS H H 52 9.444 9.278 0.166 1 1 499 . 7 1 1 A 52 52 LYS HA H 52 4.450 4.357 0.093 1 1 506 . 7 1 1 A 52 52 LYS C C 52 176.150 175.723 0.427 1 1 507 . 7 1 1 A 52 52 LYS CA C 52 57.050 57.448 -0.398 1 1 508 . 7 1 1 A 52 52 LYS CB C 52 34.470 33.892 0.578 1 1 509 . 7 1 1 A 52 52 LYS N N 52 132.750 129.704 3.046 1 1 510 . 7 1 1 A 53 53 ARG H H 53 8.051 7.420 0.631 1 1 511 . 7 1 1 A 53 53 ARG HA H 53 4.685 4.816 -0.131 1 1 516 . 7 1 1 A 53 53 ARG C C 53 173.470 174.747 -1.277 1 1 517 . 7 1 1 A 53 53 ARG CA C 53 55.090 55.425 -0.335 1 1 518 . 7 1 1 A 53 53 ARG CB C 53 34.300 34.187 0.113 1 1 519 . 7 1 1 A 53 53 ARG N N 53 117.320 118.664 -1.344 1 1 520 . 7 1 1 A 54 54 GLY H H 54 8.377 8.318 0.059 1 1 521 . 7 1 1 A 54 54 GLY HA2 H 54 4.215 3.819 0.396 1 1 522 . 7 1 1 A 54 54 GLY HA3 H 54 3.503 3.861 -0.358 1 1 523 . 7 1 1 A 54 54 GLY C C 54 171.870 174.480 -2.610 1 1 524 . 7 1 1 A 54 54 GLY CA C 54 43.770 44.164 -0.394 1 1 525 . 7 1 1 A 54 54 GLY N N 54 110.960 112.467 -1.507 1 1 526 . 7 1 1 A 55 55 PRO HA H 55 4.255 4.337 -0.082 1 1 531 . 7 1 1 A 55 55 PRO C C 55 175.940 177.488 -1.548 1 1 532 . 7 1 1 A 55 55 PRO CA C 55 64.390 65.043 -0.653 1 1 533 . 7 1 1 A 55 55 PRO CB C 55 31.360 31.905 -0.545 1 1 534 . 7 1 1 A 56 56 ASN H H 56 8.202 8.495 -0.293 1 1 535 . 7 1 1 A 56 56 ASN HA H 56 4.685 5.005 -0.320 1 1 540 . 7 1 1 A 56 56 ASN C C 56 174.410 175.073 -0.663 1 1 541 . 7 1 1 A 56 56 ASN CA C 56 52.120 52.981 -0.861 1 1 542 . 7 1 1 A 56 56 ASN CB C 56 37.070 39.276 -2.206 1 1 543 . 7 1 1 A 56 56 ASN N N 56 114.760 115.108 -0.348 1 1 545 . 7 1 1 A 57 57 ALA H H 57 7.283 7.793 -0.510 1 1 546 . 7 1 1 A 57 57 ALA HA H 57 3.618 4.331 -0.713 1 1 550 . 7 1 1 A 57 57 ALA C C 57 178.090 178.369 -0.279 1 1 551 . 7 1 1 A 57 57 ALA CA C 57 54.480 53.858 0.622 1 1 552 . 7 1 1 A 57 57 ALA CB C 57 17.760 18.527 -0.767 1 1 553 . 7 1 1 A 57 57 ALA N N 57 120.380 122.423 -2.043 1 1 554 . 7 1 1 A 58 58 GLY H H 58 9.052 9.231 -0.179 1 1 555 . 7 1 1 A 58 58 GLY HA2 H 58 4.449 4.009 0.440 1 1 556 . 7 1 1 A 58 58 GLY HA3 H 58 3.415 4.012 -0.597 1 1 557 . 7 1 1 A 58 58 GLY C C 58 174.610 174.480 0.130 1 1 558 . 7 1 1 A 58 58 GLY CA C 58 44.530 45.036 -0.506 1 1 559 . 7 1 1 A 58 58 GLY N N 58 112.180 110.796 1.384 1 1 560 . 7 1 1 A 59 59 ALA H H 59 8.171 7.683 0.488 1 1 561 . 7 1 1 A 59 59 ALA HA H 59 4.081 4.455 -0.374 1 1 565 . 7 1 1 A 59 59 ALA C C 59 175.220 176.514 -1.294 1 1 566 . 7 1 1 A 59 59 ALA CA C 59 53.170 51.507 1.663 1 1 567 . 7 1 1 A 59 59 ALA CB C 59 19.360 20.232 -0.872 1 1 568 . 7 1 1 A 59 59 ALA N N 59 124.650 123.896 0.754 1 1 569 . 7 1 1 A 60 60 ARG H H 60 7.751 8.864 -1.113 1 1 570 . 7 1 1 A 60 60 ARG HA H 60 5.105 5.197 -0.092 1 1 575 . 7 1 1 A 60 60 ARG C C 60 175.320 174.172 1.148 1 1 576 . 7 1 1 A 60 60 ARG CA C 60 54.150 54.215 -0.065 1 1 577 . 7 1 1 A 60 60 ARG CB C 60 34.130 33.510 0.620 1 1 578 . 7 1 1 A 60 60 ARG N N 60 116.920 117.479 -0.559 1 1 579 . 7 1 1 A 61 61 PHE H H 61 9.213 9.473 -0.260 1 1 580 . 7 1 1 A 61 61 PHE HA H 61 4.788 5.066 -0.278 1 1 587 . 7 1 1 A 61 61 PHE C C 61 173.930 174.751 -0.821 1 1 588 . 7 1 1 A 61 61 PHE CA C 61 56.500 56.379 0.121 1 1 589 . 7 1 1 A 61 61 PHE CB C 61 41.860 42.065 -0.205 1 1 590 . 7 1 1 A 61 61 PHE N N 61 121.090 120.436 0.654 1 1 591 . 7 1 1 A 62 62 LEU H H 62 8.638 9.056 -0.418 1 1 592 . 7 1 1 A 62 62 LEU HA H 62 4.566 4.966 -0.400 1 1 602 . 7 1 1 A 62 62 LEU C C 62 176.570 174.743 1.827 1 1 603 . 7 1 1 A 62 62 LEU CA C 62 55.130 54.153 0.977 1 1 604 . 7 1 1 A 62 62 LEU CB C 62 43.620 44.482 -0.862 1 1 605 . 7 1 1 A 62 62 LEU N N 62 125.630 125.205 0.425 1 1 606 . 7 1 1 A 63 63 LEU H H 63 8.929 9.720 -0.791 1 1 607 . 7 1 1 A 63 63 LEU HA H 63 4.852 4.954 -0.102 1 1 617 . 7 1 1 A 63 63 LEU C C 63 175.070 176.190 -1.120 1 1 618 . 7 1 1 A 63 63 LEU CA C 63 53.170 54.047 -0.877 1 1 619 . 7 1 1 A 63 63 LEU CB C 63 42.110 42.224 -0.114 1 1 620 . 7 1 1 A 63 63 LEU N N 63 125.980 128.784 -2.804 1 1 621 . 7 1 1 A 64 64 ASP H H 64 8.601 8.905 -0.304 1 1 622 . 7 1 1 A 64 64 ASP HA H 64 4.736 4.963 -0.227 1 1 625 . 7 1 1 A 64 64 ASP C C 64 175.130 175.389 -0.259 1 1 626 . 7 1 1 A 64 64 ASP CA C 64 53.640 53.260 0.380 1 1 627 . 7 1 1 A 64 64 ASP CB C 64 41.020 42.532 -1.512 1 1 628 . 7 1 1 A 64 64 ASP N N 64 120.910 126.465 -5.555 1 1 629 . 7 1 1 A 65 65 GLN H H 65 7.497 7.527 -0.030 1 1 630 . 7 1 1 A 65 65 GLN HA H 65 4.856 4.647 0.209 1 1 637 . 7 1 1 A 65 65 GLN C C 65 173.550 175.614 -2.064 1 1 638 . 7 1 1 A 65 65 GLN CA C 65 52.780 53.655 -0.875 1 1 639 . 7 1 1 A 65 65 GLN N N 65 117.420 117.395 0.025 1 1 641 . 7 1 1 A 66 66 PRO HA H 66 4.190 4.541 -0.351 1 1 648 . 7 1 1 A 66 66 PRO C C 66 177.400 176.636 0.764 1 1 649 . 7 1 1 A 66 66 PRO CA C 66 66.810 64.695 2.115 1 1 650 . 7 1 1 A 66 66 PRO CB C 66 32.370 32.122 0.248 1 1 651 . 7 1 1 A 67 67 THR H H 67 7.647 7.511 0.136 1 1 652 . 7 1 1 A 67 67 THR HA H 67 4.811 5.086 -0.275 1 1 657 . 7 1 1 A 67 67 THR C C 67 173.280 173.279 0.001 1 1 658 . 7 1 1 A 67 67 THR CA C 67 62.830 61.197 1.633 1 1 659 . 7 1 1 A 67 67 THR CB C 67 71.740 71.571 0.169 1 1 660 . 7 1 1 A 67 67 THR N N 67 109.270 112.873 -3.603 1 1 661 . 7 1 1 A 68 68 THR H H 68 8.919 9.539 -0.620 1 1 662 . 7 1 1 A 68 68 THR HA H 68 4.968 5.135 -0.167 1 1 667 . 7 1 1 A 68 68 THR C C 68 175.090 173.379 1.711 1 1 668 . 7 1 1 A 68 68 THR CA C 68 61.820 61.692 0.128 1 1 669 . 7 1 1 A 68 68 THR CB C 68 70.730 71.357 -0.627 1 1 670 . 7 1 1 A 68 68 THR N N 68 125.610 122.921 2.689 1 1 671 . 7 1 1 A 69 69 THR H H 69 10.398 8.680 1.718 1 1 672 . 7 1 1 A 69 69 THR HA H 69 4.491 4.552 -0.061 1 1 677 . 7 1 1 A 69 69 THR C C 69 173.140 174.258 -1.118 1 1 678 . 7 1 1 A 69 69 THR CA C 69 61.790 62.051 -0.261 1 1 679 . 7 1 1 A 69 69 THR CB C 69 70.820 70.162 0.658 1 1 680 . 7 1 1 A 69 69 THR N N 69 121.520 122.614 -1.094 1 1 681 . 7 1 1 A 70 70 ALA H H 70 8.722 8.817 -0.095 1 1 682 . 7 1 1 A 70 70 ALA HA H 70 5.696 5.389 0.307 1 1 686 . 7 1 1 A 70 70 ALA C C 70 175.840 176.089 -0.249 1 1 687 . 7 1 1 A 70 70 ALA CA C 70 50.030 50.216 -0.186 1 1 688 . 7 1 1 A 70 70 ALA CB C 70 22.300 22.360 -0.060 1 1 689 . 7 1 1 A 70 70 ALA N N 70 122.410 127.580 -5.170 1 1 690 . 7 1 1 A 71 71 GLY H H 71 8.430 7.993 0.437 1 1 691 . 7 1 1 A 71 71 GLY HA2 H 71 4.474 4.072 0.402 1 1 692 . 7 1 1 A 71 71 GLY HA3 H 71 3.903 4.151 -0.248 1 1 693 . 7 1 1 A 71 71 GLY C C 71 170.540 171.742 -1.202 1 1 694 . 7 1 1 A 71 71 GLY CA C 71 46.300 45.452 0.848 1 1 695 . 7 1 1 A 71 71 GLY N N 71 108.960 107.884 1.076 1 1 696 . 7 1 1 A 72 72 ARG H H 72 8.341 8.414 -0.073 1 1 697 . 7 1 1 A 72 72 ARG HA H 72 4.481 4.542 -0.061 1 1 702 . 7 1 1 A 72 72 ARG C C 72 175.720 175.227 0.493 1 1 703 . 7 1 1 A 72 72 ARG CA C 72 54.800 54.317 0.483 1 1 704 . 7 1 1 A 72 72 ARG CB C 72 32.540 33.592 -1.052 1 1 705 . 7 1 1 A 72 72 ARG N N 72 120.930 122.979 -2.049 1 1 706 . 7 1 1 A 73 73 HIS H H 73 9.295 8.478 0.817 1 1 707 . 7 1 1 A 73 73 HIS HA H 73 4.403 4.896 -0.493 1 1 712 . 7 1 1 A 73 73 HIS C C 73 176.860 174.736 2.124 1 1 713 . 7 1 1 A 73 73 HIS CA C 73 57.050 56.329 0.721 1 1 714 . 7 1 1 A 73 73 HIS N N 73 125.290 120.120 5.170 1 1 715 . 7 1 1 A 74 74 PRO HA H 74 4.373 4.378 -0.005 1 1 722 . 7 1 1 A 74 74 PRO C C 74 177.590 177.681 -0.091 1 1 723 . 7 1 1 A 74 74 PRO CA C 74 64.930 64.786 0.144 1 1 724 . 7 1 1 A 74 74 PRO CB C 74 32.030 31.847 0.183 1 1 725 . 7 1 1 A 75 75 GLU H H 75 10.575 8.596 1.979 1 1 726 . 7 1 1 A 75 75 GLU HA H 75 4.352 4.232 0.120 1 1 731 . 7 1 1 A 75 75 GLU C C 75 177.320 176.923 0.397 1 1 732 . 7 1 1 A 75 75 GLU CA C 75 56.070 57.633 -1.563 1 1 733 . 7 1 1 A 75 75 GLU CB C 75 29.010 29.942 -0.932 1 1 734 . 7 1 1 A 75 75 GLU N N 75 119.840 117.980 1.860 1 1 735 . 7 1 1 A 76 76 SER H H 76 8.236 7.944 0.292 1 1 736 . 7 1 1 A 76 76 SER HA H 76 4.100 4.495 -0.395 1 1 739 . 7 1 1 A 76 76 SER C C 76 173.120 174.050 -0.930 1 1 740 . 7 1 1 A 76 76 SER CA C 76 60.160 59.612 0.548 1 1 741 . 7 1 1 A 76 76 SER CB C 76 65.530 63.846 1.684 1 1 742 . 7 1 1 A 76 76 SER N N 76 118.860 116.097 2.763 1 1 743 . 7 1 1 A 77 77 ASP H H 77 8.541 8.963 -0.422 1 1 744 . 7 1 1 A 77 77 ASP HA H 77 4.344 4.521 -0.177 1 1 747 . 7 1 1 A 77 77 ASP C C 77 177.590 175.995 1.595 1 1 748 . 7 1 1 A 77 77 ASP CA C 77 58.380 56.772 1.608 1 1 749 . 7 1 1 A 77 77 ASP CB C 77 42.110 41.306 0.804 1 1 750 . 7 1 1 A 77 77 ASP N N 77 126.720 123.718 3.002 1 1 751 . 7 1 1 A 78 78 ILE H H 78 8.571 8.423 0.148 1 1 752 . 7 1 1 A 78 78 ILE HA H 78 3.563 4.019 -0.456 1 1 762 . 7 1 1 A 78 78 ILE C C 78 172.930 174.527 -1.597 1 1 763 . 7 1 1 A 78 78 ILE CA C 78 60.880 60.098 0.782 1 1 764 . 7 1 1 A 78 78 ILE CB C 78 37.410 37.362 0.048 1 1 765 . 7 1 1 A 78 78 ILE N N 78 120.210 118.880 1.330 1 1 766 . 7 1 1 A 79 79 PHE H H 79 8.018 8.963 -0.945 1 1 767 . 7 1 1 A 79 79 PHE HA H 79 5.018 4.670 0.348 1 1 775 . 7 1 1 A 79 79 PHE C C 79 174.130 174.018 0.112 1 1 776 . 7 1 1 A 79 79 PHE CA C 79 55.780 56.386 -0.606 1 1 777 . 7 1 1 A 79 79 PHE CB C 79 39.170 39.657 -0.487 1 1 778 . 7 1 1 A 79 79 PHE N N 79 127.300 129.094 -1.794 1 1 779 . 7 1 1 A 80 80 LEU H H 80 7.695 8.900 -1.205 1 1 780 . 7 1 1 A 80 80 LEU HA H 80 3.619 4.777 -1.158 1 1 790 . 7 1 1 A 80 80 LEU C C 80 173.720 175.514 -1.794 1 1 791 . 7 1 1 A 80 80 LEU CA C 80 52.340 53.265 -0.925 1 1 792 . 7 1 1 A 80 80 LEU CB C 80 41.770 43.525 -1.755 1 1 793 . 7 1 1 A 80 80 LEU N N 80 131.810 128.517 3.293 1 1 794 . 7 1 1 A 81 81 ASP H H 81 7.974 9.073 -1.099 1 1 795 . 7 1 1 A 81 81 ASP HA H 81 4.141 5.287 -1.146 1 1 798 . 7 1 1 A 81 81 ASP C C 81 175.130 174.863 0.267 1 1 799 . 7 1 1 A 81 81 ASP CA C 81 53.210 52.876 0.334 1 1 800 . 7 1 1 A 81 81 ASP CB C 81 39.930 43.264 -3.334 1 1 801 . 7 1 1 A 81 81 ASP N N 81 121.130 124.954 -3.824 1 1 802 . 7 1 1 A 82 82 ASP H H 82 7.583 8.639 -1.056 1 1 803 . 7 1 1 A 82 82 ASP HA H 82 4.859 5.059 -0.200 1 1 806 . 7 1 1 A 82 82 ASP C C 82 176.760 175.008 1.752 1 1 807 . 7 1 1 A 82 82 ASP CA C 82 54.980 53.012 1.968 1 1 808 . 7 1 1 A 82 82 ASP CB C 82 39.170 44.589 -5.419 1 1 809 . 7 1 1 A 82 82 ASP N N 82 121.540 125.573 -4.033 1 1 810 . 7 1 1 A 83 83 VAL H H 83 8.344 8.585 -0.241 1 1 811 . 7 1 1 A 83 83 VAL HA H 83 4.012 4.048 -0.036 1 1 819 . 7 1 1 A 83 83 VAL C C 83 174.860 176.562 -1.702 1 1 820 . 7 1 1 A 83 83 VAL CA C 83 65.330 64.379 0.951 1 1 821 . 7 1 1 A 83 83 VAL CB C 83 31.530 32.356 -0.826 1 1 822 . 7 1 1 A 83 83 VAL N N 83 122.260 120.191 2.069 1 1 823 . 7 1 1 A 84 84 THR H H 84 8.268 7.900 0.368 1 1 824 . 7 1 1 A 84 84 THR HA H 84 4.540 4.153 0.387 1 1 828 . 7 1 1 A 84 84 THR C C 84 175.360 174.110 1.250 1 1 829 . 7 1 1 A 84 84 THR CA C 84 63.810 63.330 0.480 1 1 830 . 7 1 1 A 84 84 THR CB C 84 70.900 69.111 1.789 1 1 831 . 7 1 1 A 84 84 THR N N 84 110.620 115.756 -5.136 1 1 832 . 7 1 1 A 85 85 VAL H H 85 8.579 8.813 -0.234 1 1 833 . 7 1 1 A 85 85 VAL HA H 85 4.254 4.404 -0.150 1 1 841 . 7 1 1 A 85 85 VAL C C 85 177.070 174.395 2.675 1 1 842 . 7 1 1 A 85 85 VAL CA C 85 61.930 62.364 -0.434 1 1 843 . 7 1 1 A 85 85 VAL CB C 85 32.450 30.887 1.563 1 1 844 . 7 1 1 A 85 85 VAL N N 85 126.860 128.528 -1.668 1 1 845 . 7 1 1 A 86 86 SER H H 86 11.668 8.156 3.512 1 1 846 . 7 1 1 A 86 86 SER HA H 86 5.203 4.752 0.451 1 1 849 . 7 1 1 A 86 86 SER C C 86 175.470 174.827 0.643 1 1 850 . 7 1 1 A 86 86 SER CA C 86 61.600 56.556 5.044 1 1 851 . 7 1 1 A 86 86 SER CB C 86 64.270 63.255 1.015 1 1 852 . 7 1 1 A 86 86 SER N N 86 128.670 123.619 5.051 1 1 853 . 7 1 1 A 87 87 ARG H H 87 10.946 8.516 2.430 1 1 854 . 7 1 1 A 87 87 ARG HA H 87 5.179 4.175 1.004 1 1 862 . 7 1 1 A 87 87 ARG C C 87 177.110 176.392 0.718 1 1 863 . 7 1 1 A 87 87 ARG CA C 87 60.810 58.703 2.107 1 1 864 . 7 1 1 A 87 87 ARG CB C 87 29.010 29.881 -0.871 1 1 865 . 7 1 1 A 87 87 ARG N N 87 126.810 126.535 0.275 1 1 867 . 7 1 1 A 88 88 ARG H H 88 7.946 7.949 -0.003 1 1 868 . 7 1 1 A 88 88 ARG HA H 88 4.459 4.656 -0.197 1 1 876 . 7 1 1 A 88 88 ARG C C 88 172.990 175.551 -2.561 1 1 877 . 7 1 1 A 88 88 ARG CA C 88 55.060 54.712 0.348 1 1 878 . 7 1 1 A 88 88 ARG CB C 88 29.770 31.136 -1.366 1 1 879 . 7 1 1 A 88 88 ARG N N 88 115.670 119.065 -3.395 1 1 881 . 7 1 1 A 89 89 HIS H H 89 7.613 8.374 -0.761 1 1 882 . 7 1 1 A 89 89 HIS HA H 89 4.437 4.520 -0.083 1 1 888 . 7 1 1 A 89 89 HIS C C 89 174.050 175.104 -1.054 1 1 889 . 7 1 1 A 89 89 HIS CA C 89 58.420 58.188 0.232 1 1 890 . 7 1 1 A 89 89 HIS CB C 89 32.620 31.729 0.891 1 1 891 . 7 1 1 A 89 89 HIS N N 89 124.000 124.954 -0.954 1 1 893 . 7 1 1 A 90 90 ALA H H 90 8.454 7.167 1.287 1 1 894 . 7 1 1 A 90 90 ALA HA H 90 5.529 4.464 1.065 1 1 898 . 7 1 1 A 90 90 ALA C C 90 176.260 174.733 1.527 1 1 899 . 7 1 1 A 90 90 ALA CA C 90 50.240 51.303 -1.063 1 1 900 . 7 1 1 A 90 90 ALA CB C 90 23.220 22.472 0.748 1 1 901 . 7 1 1 A 90 90 ALA N N 90 116.480 117.974 -1.494 1 1 902 . 7 1 1 A 91 91 GLU H H 91 9.216 8.820 0.396 1 1 903 . 7 1 1 A 91 91 GLU HA H 91 4.931 4.722 0.209 1 1 908 . 7 1 1 A 91 91 GLU C C 91 173.910 174.004 -0.094 1 1 909 . 7 1 1 A 91 91 GLU CA C 91 54.690 54.296 0.394 1 1 910 . 7 1 1 A 91 91 GLU CB C 91 34.720 33.294 1.426 1 1 911 . 7 1 1 A 91 91 GLU N N 91 118.140 116.530 1.610 1 1 912 . 7 1 1 A 92 92 PHE H H 92 9.330 9.059 0.271 1 1 913 . 7 1 1 A 92 92 PHE HA H 92 5.502 5.365 0.137 1 1 921 . 7 1 1 A 92 92 PHE C C 92 176.650 175.345 1.305 1 1 922 . 7 1 1 A 92 92 PHE CA C 92 56.760 56.724 0.036 1 1 923 . 7 1 1 A 92 92 PHE CB C 92 41.690 40.706 0.984 1 1 924 . 7 1 1 A 92 92 PHE N N 92 119.490 121.119 -1.629 1 1 925 . 7 1 1 A 93 93 ARG H H 93 9.846 9.089 0.757 1 1 926 . 7 1 1 A 93 93 ARG HA H 93 5.610 5.326 0.284 1 1 934 . 7 1 1 A 93 93 ARG C C 93 175.010 174.878 0.132 1 1 935 . 7 1 1 A 93 93 ARG CA C 93 54.580 54.598 -0.018 1 1 936 . 7 1 1 A 93 93 ARG CB C 93 34.220 33.743 0.477 1 1 937 . 7 1 1 A 93 93 ARG N N 93 127.300 122.709 4.591 1 1 939 . 7 1 1 A 94 94 ILE H H 94 8.521 9.300 -0.779 1 1 940 . 7 1 1 A 94 94 ILE HA H 94 4.410 5.060 -0.650 1 1 950 . 7 1 1 A 94 94 ILE C C 94 176.420 174.388 2.032 1 1 951 . 7 1 1 A 94 94 ILE CA C 94 61.130 60.280 0.850 1 1 952 . 7 1 1 A 94 94 ILE CB C 94 38.830 39.221 -0.391 1 1 953 . 7 1 1 A 94 94 ILE N N 94 121.680 123.834 -2.154 1 1 954 . 7 1 1 A 95 95 ASN H H 95 8.847 9.063 -0.216 1 1 955 . 7 1 1 A 95 95 ASN HA H 95 4.796 5.075 -0.279 1 1 960 . 7 1 1 A 95 95 ASN C C 95 174.430 174.376 0.054 1 1 961 . 7 1 1 A 95 95 ASN CA C 95 52.560 52.362 0.198 1 1 962 . 7 1 1 A 95 95 ASN CB C 95 40.510 40.853 -0.343 1 1 963 . 7 1 1 A 95 95 ASN N N 95 127.100 125.005 2.095 1 1 965 . 7 1 1 A 96 96 GLU H H 96 9.303 9.451 -0.148 1 1 966 . 7 1 1 A 96 96 GLU HA H 96 3.768 4.019 -0.251 1 1 971 . 7 1 1 A 96 96 GLU C C 96 176.280 176.419 -0.139 1 1 972 . 7 1 1 A 96 96 GLU CA C 96 57.150 57.550 -0.400 1 1 973 . 7 1 1 A 96 96 GLU CB C 96 27.590 28.004 -0.414 1 1 974 . 7 1 1 A 96 96 GLU N N 96 125.150 127.059 -1.909 1 1 975 . 7 1 1 A 97 97 GLY H H 97 7.937 8.401 -0.464 1 1 976 . 7 1 1 A 97 97 GLY HA2 H 97 4.042 3.698 0.344 1 1 977 . 7 1 1 A 97 97 GLY HA3 H 97 3.450 3.772 -0.322 1 1 978 . 7 1 1 A 97 97 GLY C C 97 172.990 173.603 -0.613 1 1 979 . 7 1 1 A 97 97 GLY CA C 97 45.390 45.207 0.183 1 1 980 . 7 1 1 A 97 97 GLY N N 97 104.330 104.778 -0.448 1 1 981 . 7 1 1 A 98 98 GLU H H 98 7.557 7.877 -0.320 1 1 982 . 7 1 1 A 98 98 GLU HA H 98 4.591 4.644 -0.053 1 1 987 . 7 1 1 A 98 98 GLU C C 98 174.530 175.574 -1.044 1 1 988 . 7 1 1 A 98 98 GLU CA C 98 54.770 54.679 0.091 1 1 989 . 7 1 1 A 98 98 GLU CB C 98 32.290 31.517 0.773 1 1 990 . 7 1 1 A 98 98 GLU N N 98 119.350 119.979 -0.629 1 1 991 . 7 1 1 A 99 99 PHE H H 99 9.412 9.038 0.374 1 1 992 . 7 1 1 A 99 99 PHE HA H 99 5.007 5.277 -0.270 1 1 999 . 7 1 1 A 99 99 PHE C C 99 174.050 175.280 -1.230 1 1 1000 . 7 1 1 A 99 99 PHE CA C 99 57.260 56.683 0.577 1 1 1001 . 7 1 1 A 99 99 PHE CB C 99 42.110 41.249 0.861 1 1 1002 . 7 1 1 A 99 99 PHE N N 99 122.550 120.863 1.687 1 1 1003 . 7 1 1 A 100 100 GLU H H 100 9.444 9.730 -0.286 1 1 1004 . 7 1 1 A 100 100 GLU HA H 100 5.145 5.088 0.057 1 1 1009 . 7 1 1 A 100 100 GLU C C 100 175.340 174.496 0.844 1 1 1010 . 7 1 1 A 100 100 GLU CA C 100 54.080 54.592 -0.512 1 1 1011 . 7 1 1 A 100 100 GLU CB C 100 34.720 33.586 1.134 1 1 1012 . 7 1 1 A 100 100 GLU N N 100 124.080 120.559 3.521 1 1 1013 . 7 1 1 A 101 101 VAL H H 101 8.726 9.059 -0.333 1 1 1014 . 7 1 1 A 101 101 VAL HA H 101 4.900 4.803 0.097 1 1 1022 . 7 1 1 A 101 101 VAL C C 101 172.510 175.166 -2.656 1 1 1023 . 7 1 1 A 101 101 VAL CA C 101 58.710 61.352 -2.642 1 1 1024 . 7 1 1 A 101 101 VAL CB C 101 33.550 33.359 0.191 1 1 1025 . 7 1 1 A 101 101 VAL N N 101 124.500 123.271 1.229 1 1 1026 . 7 1 1 A 102 102 VAL H H 102 8.719 9.200 -0.481 1 1 1027 . 7 1 1 A 102 102 VAL HA H 102 4.578 4.868 -0.290 1 1 1035 . 7 1 1 A 102 102 VAL C C 102 175.380 173.792 1.588 1 1 1036 . 7 1 1 A 102 102 VAL CA C 102 60.370 60.038 0.332 1 1 1037 . 7 1 1 A 102 102 VAL CB C 102 36.060 34.398 1.662 1 1 1038 . 7 1 1 A 102 102 VAL N N 102 125.900 122.592 3.308 1 1 1039 . 7 1 1 A 103 103 ASP H H 103 8.626 9.253 -0.627 1 1 1040 . 7 1 1 A 103 103 ASP HA H 103 4.856 4.630 0.226 1 1 1043 . 7 1 1 A 103 103 ASP C C 103 177.300 176.600 0.700 1 1 1044 . 7 1 1 A 103 103 ASP CA C 103 54.580 53.943 0.637 1 1 1045 . 7 1 1 A 103 103 ASP CB C 103 44.210 42.248 1.962 1 1 1046 . 7 1 1 A 103 103 ASP N N 103 127.250 127.112 0.138 1 1 1047 . 7 1 1 A 104 104 VAL H H 104 7.890 8.956 -1.066 1 1 1048 . 7 1 1 A 104 104 VAL HA H 104 4.527 4.478 0.049 1 1 1056 . 7 1 1 A 104 104 VAL C C 104 174.490 175.700 -1.210 1 1 1057 . 7 1 1 A 104 104 VAL CA C 104 60.630 61.149 -0.519 1 1 1058 . 7 1 1 A 104 104 VAL CB C 104 29.350 33.426 -4.076 1 1 1059 . 7 1 1 A 104 104 VAL N N 104 119.270 120.065 -0.795 1 1 1060 . 7 1 1 A 105 105 GLY H H 105 8.690 7.381 1.309 1 1 1061 . 7 1 1 A 105 105 GLY HA2 H 105 4.270 4.158 0.112 1 1 1062 . 7 1 1 A 105 105 GLY HA3 H 105 3.685 4.170 -0.485 1 1 1063 . 7 1 1 A 105 105 GLY C C 105 175.490 174.840 0.650 1 1 1064 . 7 1 1 A 105 105 GLY CA C 105 45.650 45.822 -0.172 1 1 1065 . 7 1 1 A 105 105 GLY N N 105 111.790 109.570 2.220 1 1 1066 . 7 1 1 A 106 106 SER H H 106 9.218 8.295 0.923 1 1 1067 . 7 1 1 A 106 106 SER HA H 106 3.894 4.178 -0.284 1 1 1070 . 7 1 1 A 106 106 SER C C 106 174.590 176.147 -1.557 1 1 1071 . 7 1 1 A 106 106 SER CA C 106 58.600 61.657 -3.057 1 1 1072 . 7 1 1 A 106 106 SER CB C 106 61.250 62.991 -1.741 1 1 1073 . 7 1 1 A 106 106 SER N N 106 121.540 117.681 3.859 1 1 1074 . 7 1 1 A 107 107 LEU H H 107 8.018 7.638 0.380 1 1 1075 . 7 1 1 A 107 107 LEU HA H 107 4.240 4.076 0.164 1 1 1085 . 7 1 1 A 107 107 LEU C C 107 179.420 177.683 1.737 1 1 1086 . 7 1 1 A 107 107 LEU CA C 107 57.590 57.522 0.068 1 1 1087 . 7 1 1 A 107 107 LEU CB C 107 42.360 41.468 0.892 1 1 1088 . 7 1 1 A 107 107 LEU N N 107 121.520 120.809 0.711 1 1 1089 . 7 1 1 A 108 108 ASN H H 108 8.799 7.788 1.011 1 1 1090 . 7 1 1 A 108 108 ASN HA H 108 4.986 4.262 0.724 1 1 1093 . 7 1 1 A 108 108 ASN C C 108 175.950 175.378 0.572 1 1 1094 . 7 1 1 A 108 108 ASN CA C 108 54.440 52.883 1.557 1 1 1095 . 7 1 1 A 108 108 ASN CB C 108 41.180 39.181 1.999 1 1 1096 . 7 1 1 A 108 108 ASN N N 108 111.800 115.324 -3.524 1 1 1097 . 7 1 1 A 109 109 GLY H H 109 8.025 7.897 0.128 1 1 1098 . 7 1 1 A 109 109 GLY HA2 H 109 4.237 3.949 0.288 1 1 1099 . 7 1 1 A 109 109 GLY HA3 H 109 3.621 3.980 -0.359 1 1 1100 . 7 1 1 A 109 109 GLY C C 109 173.820 174.992 -1.172 1 1 1101 . 7 1 1 A 109 109 GLY CA C 109 44.340 46.844 -2.504 1 1 1102 . 7 1 1 A 109 109 GLY N N 109 110.600 108.605 1.995 1 1 1103 . 7 1 1 A 110 110 THR H H 110 8.770 8.264 0.506 1 1 1104 . 7 1 1 A 110 110 THR HA H 110 4.797 4.528 0.269 1 1 1109 . 7 1 1 A 110 110 THR C C 110 172.570 174.195 -1.625 1 1 1110 . 7 1 1 A 110 110 THR CA C 110 64.540 63.554 0.986 1 1 1111 . 7 1 1 A 110 110 THR CB C 110 70.230 69.164 1.066 1 1 1112 . 7 1 1 A 110 110 THR N N 110 121.240 114.882 6.358 1 1 1113 . 7 1 1 A 111 111 TYR H H 111 8.272 8.926 -0.654 1 1 1114 . 7 1 1 A 111 111 TYR HA H 111 5.155 5.241 -0.086 1 1 1121 . 7 1 1 A 111 111 TYR C C 111 175.860 175.109 0.751 1 1 1122 . 7 1 1 A 111 111 TYR CA C 111 55.820 56.746 -0.926 1 1 1123 . 7 1 1 A 111 111 TYR CB C 111 41.100 43.158 -2.058 1 1 1124 . 7 1 1 A 111 111 TYR N N 111 123.680 125.231 -1.551 1 1 1125 . 7 1 1 A 112 112 VAL H H 112 9.017 9.278 -0.261 1 1 1126 . 7 1 1 A 112 112 VAL HA H 112 4.951 4.890 0.061 1 1 1134 . 7 1 1 A 112 112 VAL C C 112 176.780 176.189 0.591 1 1 1135 . 7 1 1 A 112 112 VAL CA C 112 61.130 61.110 0.020 1 1 1136 . 7 1 1 A 112 112 VAL CB C 112 32.870 34.068 -1.198 1 1 1137 . 7 1 1 A 112 112 VAL N N 112 121.300 122.550 -1.250 1 1 1138 . 7 1 1 A 113 113 ASN H H 113 10.285 10.098 0.187 1 1 1139 . 7 1 1 A 113 113 ASN HA H 113 4.483 4.467 0.016 1 1 1144 . 7 1 1 A 113 113 ASN C C 113 174.590 174.432 0.158 1 1 1145 . 7 1 1 A 113 113 ASN CA C 113 55.160 54.803 0.357 1 1 1146 . 7 1 1 A 113 113 ASN CB C 113 37.240 36.879 0.361 1 1 1147 . 7 1 1 A 113 113 ASN N N 113 129.510 127.512 1.998 1 1 1149 . 7 1 1 A 114 114 ARG H H 114 9.459 8.621 0.838 1 1 1150 . 7 1 1 A 114 114 ARG HA H 114 3.659 3.977 -0.318 1 1 1158 . 7 1 1 A 114 114 ARG C C 114 174.900 174.897 0.003 1 1 1159 . 7 1 1 A 114 114 ARG CA C 114 58.280 57.687 0.593 1 1 1160 . 7 1 1 A 114 114 ARG CB C 114 27.250 27.697 -0.447 1 1 1161 . 7 1 1 A 114 114 ARG N N 114 106.570 108.907 -2.337 1 1 1163 . 7 1 1 A 115 115 GLU H H 115 7.827 8.071 -0.244 1 1 1164 . 7 1 1 A 115 115 GLU HA H 115 5.153 4.868 0.285 1 1 1169 . 7 1 1 A 115 115 GLU C C 115 173.950 174.286 -0.336 1 1 1170 . 7 1 1 A 115 115 GLU CA C 115 52.990 52.914 0.076 1 1 1171 . 7 1 1 A 115 115 GLU N N 115 119.780 118.514 1.266 1 1 1172 . 7 1 1 A 116 116 PRO HA H 116 3.983 4.158 -0.175 1 1 1177 . 7 1 1 A 116 116 PRO C C 116 177.780 175.200 2.580 1 1 1178 . 7 1 1 A 116 116 PRO CA C 116 62.910 62.796 0.114 1 1 1179 . 7 1 1 A 116 116 PRO CB C 116 31.200 31.492 -0.292 1 1 1180 . 7 1 1 A 117 117 ARG H H 117 8.414 8.672 -0.258 1 1 1181 . 7 1 1 A 117 117 ARG HA H 117 4.699 4.649 0.050 1 1 1189 . 7 1 1 A 117 117 ARG C C 117 175.260 174.520 0.740 1 1 1190 . 7 1 1 A 117 117 ARG CA C 117 52.990 55.275 -2.285 1 1 1191 . 7 1 1 A 117 117 ARG CB C 117 24.560 33.251 -8.691 1 1 1192 . 7 1 1 A 117 117 ARG N N 117 121.900 124.012 -2.112 1 1 1194 . 7 1 1 A 118 118 ASN H H 118 8.741 8.652 0.089 1 1 1195 . 7 1 1 A 118 118 ASN HA H 118 4.731 4.816 -0.085 1 1 1200 . 7 1 1 A 118 118 ASN C C 118 175.220 174.768 0.452 1 1 1201 . 7 1 1 A 118 118 ASN CA C 118 55.090 54.283 0.807 1 1 1202 . 7 1 1 A 118 118 ASN CB C 118 38.920 39.818 -0.898 1 1 1203 . 7 1 1 A 118 118 ASN N N 118 120.190 120.966 -0.776 1 1 1205 . 7 1 1 A 119 119 ALA H H 119 7.372 7.906 -0.534 1 1 1206 . 7 1 1 A 119 119 ALA HA H 119 5.319 5.361 -0.042 1 1 1210 . 7 1 1 A 119 119 ALA C C 119 176.720 175.941 0.779 1 1 1211 . 7 1 1 A 119 119 ALA CA C 119 52.120 50.449 1.671 1 1 1212 . 7 1 1 A 119 119 ALA CB C 119 21.460 22.135 -0.675 1 1 1213 . 7 1 1 A 119 119 ALA N N 119 120.380 118.843 1.537 1 1 1214 . 7 1 1 A 120 120 GLN H H 120 8.787 9.005 -0.218 1 1 1215 . 7 1 1 A 120 120 GLN HA H 120 4.505 5.021 -0.516 1 1 1222 . 7 1 1 A 120 120 GLN C C 120 174.380 174.286 0.094 1 1 1223 . 7 1 1 A 120 120 GLN CA C 120 56.030 54.376 1.654 1 1 1224 . 7 1 1 A 120 120 GLN CB C 120 32.790 32.695 0.095 1 1 1225 . 7 1 1 A 120 120 GLN N N 120 121.180 118.964 2.216 1 1 1227 . 7 1 1 A 121 121 VAL H H 121 8.692 8.662 0.030 1 1 1228 . 7 1 1 A 121 121 VAL HA H 121 4.258 4.215 0.043 1 1 1236 . 7 1 1 A 121 121 VAL C C 121 176.510 175.367 1.143 1 1 1237 . 7 1 1 A 121 121 VAL CA C 121 64.140 62.776 1.364 1 1 1238 . 7 1 1 A 121 121 VAL CB C 121 31.700 31.994 -0.294 1 1 1239 . 7 1 1 A 121 121 VAL N N 121 129.930 122.715 7.215 1 1 1240 . 7 1 1 A 122 122 MET H H 122 8.924 9.398 -0.474 1 1 1241 . 7 1 1 A 122 122 MET HA H 122 4.419 4.771 -0.352 1 1 1249 . 7 1 1 A 122 122 MET C C 122 174.380 175.499 -1.119 1 1 1250 . 7 1 1 A 122 122 MET CA C 122 55.740 54.381 1.359 1 1 1251 . 7 1 1 A 122 122 MET CB C 122 35.140 33.753 1.387 1 1 1252 . 7 1 1 A 122 122 MET N N 122 129.560 127.296 2.264 1 1 1253 . 7 1 1 A 123 123 GLN H H 123 9.002 9.622 -0.620 1 1 1254 . 7 1 1 A 123 123 GLN HA H 123 4.823 4.942 -0.119 1 1 1261 . 7 1 1 A 123 123 GLN C C 123 175.530 175.206 0.324 1 1 1262 . 7 1 1 A 123 123 GLN CA C 123 53.570 54.400 -0.830 1 1 1263 . 7 1 1 A 123 123 GLN CB C 123 32.290 32.812 -0.522 1 1 1264 . 7 1 1 A 123 123 GLN N N 123 119.810 125.541 -5.731 1 1 1266 . 7 1 1 A 124 124 THR H H 124 9.036 8.138 0.898 1 1 1267 . 7 1 1 A 124 124 THR HA H 124 4.208 4.196 0.012 1 1 1272 . 7 1 1 A 124 124 THR C C 124 175.300 175.634 -0.334 1 1 1273 . 7 1 1 A 124 124 THR CA C 124 65.510 63.823 1.687 1 1 1274 . 7 1 1 A 124 124 THR CB C 124 69.560 68.665 0.895 1 1 1275 . 7 1 1 A 124 124 THR N N 124 119.570 117.109 2.461 1 1 1276 . 7 1 1 A 125 125 GLY H H 125 9.921 9.484 0.437 1 1 1277 . 7 1 1 A 125 125 GLY HA2 H 125 4.552 4.012 0.540 1 1 1278 . 7 1 1 A 125 125 GLY HA3 H 125 3.480 4.020 -0.540 1 1 1279 . 7 1 1 A 125 125 GLY C C 125 174.650 174.123 0.527 1 1 1280 . 7 1 1 A 125 125 GLY CA C 125 44.710 44.963 -0.253 1 1 1281 . 7 1 1 A 125 125 GLY N N 125 117.920 117.254 0.666 1 1 1282 . 7 1 1 A 126 126 ASP H H 126 8.638 7.955 0.683 1 1 1283 . 7 1 1 A 126 126 ASP HA H 126 4.876 4.687 0.189 1 1 1286 . 7 1 1 A 126 126 ASP C C 126 174.650 175.395 -0.745 1 1 1287 . 7 1 1 A 126 126 ASP CA C 126 56.140 55.307 0.833 1 1 1288 . 7 1 1 A 126 126 ASP CB C 126 41.690 41.634 0.056 1 1 1289 . 7 1 1 A 126 126 ASP N N 126 123.190 121.870 1.320 1 1 1290 . 7 1 1 A 127 127 GLU H H 127 8.316 9.314 -0.998 1 1 1291 . 7 1 1 A 127 127 GLU HA H 127 5.341 5.742 -0.401 1 1 1296 . 7 1 1 A 127 127 GLU C C 127 175.990 175.271 0.719 1 1 1297 . 7 1 1 A 127 127 GLU CA C 127 54.440 55.183 -0.743 1 1 1298 . 7 1 1 A 127 127 GLU CB C 127 32.790 32.016 0.774 1 1 1299 . 7 1 1 A 127 127 GLU N N 127 118.480 120.744 -2.264 1 1 1300 . 7 1 1 A 128 128 ILE H H 128 9.910 9.566 0.344 1 1 1301 . 7 1 1 A 128 128 ILE HA H 128 5.334 4.826 0.508 1 1 1311 . 7 1 1 A 128 128 ILE C C 128 174.700 174.706 -0.006 1 1 1312 . 7 1 1 A 128 128 ILE CA C 128 59.470 60.472 -1.002 1 1 1313 . 7 1 1 A 128 128 ILE CB C 128 40.600 39.970 0.630 1 1 1314 . 7 1 1 A 128 128 ILE N N 128 128.810 126.541 2.269 1 1 1315 . 7 1 1 A 129 129 GLN H H 129 9.502 9.300 0.202 1 1 1316 . 7 1 1 A 129 129 GLN HA H 129 5.406 5.524 -0.118 1 1 1323 . 7 1 1 A 129 129 GLN C C 129 174.950 174.736 0.214 1 1 1324 . 7 1 1 A 129 129 GLN CA C 129 54.800 54.817 -0.017 1 1 1325 . 7 1 1 A 129 129 GLN CB C 129 30.690 30.256 0.434 1 1 1326 . 7 1 1 A 129 129 GLN N N 129 129.270 126.137 3.133 1 1 1328 . 7 1 1 A 130 130 ILE H H 130 8.498 9.044 -0.546 1 1 1329 . 7 1 1 A 130 130 ILE HA H 130 4.116 4.456 -0.340 1 1 1339 . 7 1 1 A 130 130 ILE C C 130 174.860 176.359 -1.499 1 1 1340 . 7 1 1 A 130 130 ILE CA C 130 60.740 60.035 0.705 1 1 1341 . 7 1 1 A 130 130 ILE CB C 130 41.440 38.404 3.036 1 1 1342 . 7 1 1 A 130 130 ILE N N 130 129.070 125.512 3.558 1 1 1343 . 7 1 1 A 131 131 GLY H H 131 9.924 9.013 0.911 1 1 1344 . 7 1 1 A 131 131 GLY HA2 H 131 3.768 3.904 -0.136 1 1 1345 . 7 1 1 A 131 131 GLY HA3 H 131 3.337 4.104 -0.767 1 1 1346 . 7 1 1 A 131 131 GLY C C 131 174.590 174.997 -0.407 1 1 1347 . 7 1 1 A 131 131 GLY CA C 131 46.700 47.500 -0.800 1 1 1348 . 7 1 1 A 131 131 GLY N N 131 116.470 118.287 -1.817 1 1 1349 . 7 1 1 A 132 132 LYS H H 132 7.141 8.818 -1.677 1 1 1350 . 7 1 1 A 132 132 LYS HA H 132 3.750 4.405 -0.655 1 1 1357 . 7 1 1 A 132 132 LYS C C 132 175.820 176.868 -1.048 1 1 1358 . 7 1 1 A 132 132 LYS CA C 132 57.550 57.195 0.355 1 1 1359 . 7 1 1 A 132 132 LYS CB C 132 33.300 33.288 0.012 1 1 1360 . 7 1 1 A 132 132 LYS N N 132 122.960 125.326 -2.366 1 1 1361 . 7 1 1 A 133 133 PHE H H 133 8.360 8.226 0.134 1 1 1362 . 7 1 1 A 133 133 PHE HA H 133 4.601 5.045 -0.444 1 1 1370 . 7 1 1 A 133 133 PHE C C 133 174.910 175.498 -0.588 1 1 1371 . 7 1 1 A 133 133 PHE CA C 133 58.600 58.575 0.025 1 1 1372 . 7 1 1 A 133 133 PHE CB C 133 40.510 40.300 0.210 1 1 1373 . 7 1 1 A 133 133 PHE N N 133 118.170 120.077 -1.907 1 1 1374 . 7 1 1 A 134 134 ARG H H 134 8.698 9.322 -0.624 1 1 1375 . 7 1 1 A 134 134 ARG HA H 134 5.212 5.433 -0.221 1 1 1383 . 7 1 1 A 134 134 ARG C C 134 175.150 174.484 0.666 1 1 1384 . 7 1 1 A 134 134 ARG CA C 134 55.060 54.766 0.294 1 1 1385 . 7 1 1 A 134 134 ARG CB C 134 33.550 33.461 0.089 1 1 1386 . 7 1 1 A 134 134 ARG N N 134 120.770 119.605 1.165 1 1 1388 . 7 1 1 A 135 135 LEU H H 135 9.904 9.540 0.364 1 1 1389 . 7 1 1 A 135 135 LEU HA H 135 5.544 5.226 0.318 1 1 1399 . 7 1 1 A 135 135 LEU C C 135 175.260 176.241 -0.981 1 1 1400 . 7 1 1 A 135 135 LEU CA C 135 53.930 53.483 0.447 1 1 1401 . 7 1 1 A 135 135 LEU CB C 135 45.550 44.061 1.489 1 1 1402 . 7 1 1 A 135 135 LEU N N 135 127.130 125.929 1.201 1 1 1403 . 7 1 1 A 136 136 VAL H H 136 9.350 9.537 -0.187 1 1 1404 . 7 1 1 A 136 136 VAL HA H 136 5.226 4.953 0.273 1 1 1412 . 7 1 1 A 136 136 VAL C C 136 174.050 174.028 0.022 1 1 1413 . 7 1 1 A 136 136 VAL CA C 136 60.520 60.828 -0.308 1 1 1414 . 7 1 1 A 136 136 VAL CB C 136 34.890 33.696 1.194 1 1 1415 . 7 1 1 A 136 136 VAL N N 136 121.300 122.318 -1.018 1 1 1416 . 7 1 1 A 137 137 PHE H H 137 8.492 9.372 -0.880 1 1 1417 . 7 1 1 A 137 137 PHE HA H 137 5.007 4.956 0.051 1 1 1424 . 7 1 1 A 137 137 PHE C C 137 173.340 173.894 -0.554 1 1 1425 . 7 1 1 A 137 137 PHE CA C 137 57.010 56.222 0.788 1 1 1426 . 7 1 1 A 137 137 PHE CB C 137 41.770 41.249 0.521 1 1 1427 . 7 1 1 A 137 137 PHE N N 137 127.550 128.698 -1.148 1 1 1428 . 7 1 1 A 138 138 LEU H H 138 8.535 8.843 -0.308 1 1 1429 . 7 1 1 A 138 138 LEU HA H 138 4.345 4.869 -0.524 1 1 1439 . 7 1 1 A 138 138 LEU C C 138 173.390 174.380 -0.990 1 1 1440 . 7 1 1 A 138 138 LEU CA C 138 53.680 52.930 0.750 1 1 1441 . 7 1 1 A 138 138 LEU CB C 138 45.210 44.744 0.466 1 1 1442 . 7 1 1 A 138 138 LEU N N 138 128.590 127.952 0.638 1 1 1443 . 7 1 1 A 139 139 ALA H H 139 7.502 8.238 -0.736 1 1 1444 . 7 1 1 A 139 139 ALA HA H 139 3.952 4.307 -0.355 1 1 1448 . 7 1 1 A 139 139 ALA C C 139 178.010 177.694 0.316 1 1 1449 . 7 1 1 A 139 139 ALA CA C 139 51.650 50.753 0.897 1 1 1450 . 7 1 1 A 139 139 ALA CB C 139 20.700 20.504 0.196 1 1 1451 . 7 1 1 A 139 139 ALA N N 139 123.250 125.815 -2.565 1 1 1452 . 7 1 1 A 140 140 GLY H H 140 7.968 8.672 -0.704 1 1 1453 . 7 1 1 A 140 140 GLY HA2 H 140 4.202 3.855 0.347 1 1 1454 . 7 1 1 A 140 140 GLY HA3 H 140 3.595 3.879 -0.284 1 1 1455 . 7 1 1 A 140 140 GLY C C 140 171.240 174.668 -3.428 1 1 1456 . 7 1 1 A 140 140 GLY CA C 140 44.710 46.279 -1.569 1 1 1457 . 7 1 1 A 140 140 GLY N N 140 108.040 110.126 -2.086 1 1 1458 . 7 1 1 A 141 141 PRO HA H 141 4.460 4.692 -0.232 1 1 1463 . 7 1 1 A 141 141 PRO C C 141 176.150 175.460 0.690 1 1 1464 . 7 1 1 A 141 141 PRO CA C 141 63.230 62.529 0.701 1 1 1465 . 7 1 1 A 141 141 PRO CB C 141 32.370 33.131 -0.761 1 1 1466 . 7 1 1 A 142 142 ALA H H 142 8.496 8.325 0.171 1 1 1467 . 7 1 1 A 142 142 ALA HA H 142 4.363 4.736 -0.373 1 1 1471 . 7 1 1 A 142 142 ALA C C 142 177.320 176.069 1.251 1 1 1472 . 7 1 1 A 142 142 ALA CA C 142 52.740 51.448 1.292 1 1 1473 . 7 1 1 A 142 142 ALA CB C 142 19.780 19.128 0.652 1 1 1474 . 7 1 1 A 142 142 ALA N N 142 124.080 122.673 1.407 1 1 4 . 8 1 1 A 2 2 SER H H 2 8.404 8.568 -0.164 1 1 5 . 8 1 1 A 2 2 SER HA H 2 4.430 4.957 -0.527 1 1 8 . 8 1 1 A 2 2 SER C C 2 174.220 172.601 1.619 1 1 9 . 8 1 1 A 2 2 SER CA C 2 58.650 57.645 1.005 1 1 10 . 8 1 1 A 2 2 SER CB C 2 64.280 67.121 -2.841 1 1 11 . 8 1 1 A 2 2 SER N N 2 116.880 116.889 -0.009 1 1 12 . 8 1 1 A 3 3 ASP H H 3 8.314 8.604 -0.290 1 1 13 . 8 1 1 A 3 3 ASP HA H 3 4.594 4.945 -0.351 1 1 16 . 8 1 1 A 3 3 ASP C C 3 176.070 174.905 1.165 1 1 17 . 8 1 1 A 3 3 ASP CA C 3 54.580 53.659 0.921 1 1 18 . 8 1 1 A 3 3 ASP CB C 3 41.530 40.709 0.821 1 1 19 . 8 1 1 A 3 3 ASP N N 3 122.210 122.753 -0.543 1 1 20 . 8 1 1 A 4 4 ASN H H 4 8.326 8.691 -0.365 1 1 21 . 8 1 1 A 4 4 ASN HA H 4 4.748 5.017 -0.269 1 1 24 . 8 1 1 A 4 4 ASN C C 4 175.130 173.895 1.235 1 1 25 . 8 1 1 A 4 4 ASN CA C 4 53.430 52.573 0.857 1 1 26 . 8 1 1 A 4 4 ASN CB C 4 38.920 37.320 1.600 1 1 27 . 8 1 1 A 4 4 ASN N N 4 118.670 123.108 -4.438 1 1 28 . 8 1 1 A 5 5 ASN H H 5 8.467 8.544 -0.077 1 1 29 . 8 1 1 A 5 5 ASN HA H 5 4.702 5.319 -0.617 1 1 32 . 8 1 1 A 5 5 ASN C C 5 175.700 175.168 0.532 1 1 33 . 8 1 1 A 5 5 ASN CA C 5 53.610 51.379 2.231 1 1 34 . 8 1 1 A 5 5 ASN CB C 5 39.090 42.279 -3.189 1 1 35 . 8 1 1 A 5 5 ASN N N 5 119.070 123.807 -4.737 1 1 36 . 8 1 1 A 6 6 GLY H H 6 8.333 8.727 -0.394 1 1 37 . 8 1 1 A 6 6 GLY HA2 H 6 3.960 3.960 0.000 1 1 38 . 8 1 1 A 6 6 GLY HA3 H 6 3.960 3.961 -0.001 1 1 39 . 8 1 1 A 6 6 GLY C C 6 174.050 173.051 0.999 1 1 40 . 8 1 1 A 6 6 GLY CA C 6 45.390 46.433 -1.043 1 1 41 . 8 1 1 A 6 6 GLY N N 6 109.000 112.311 -3.311 1 1 42 . 8 1 1 A 7 7 THR H H 7 8.076 8.438 -0.362 1 1 43 . 8 1 1 A 7 7 THR HA H 7 4.591 4.580 0.011 1 1 48 . 8 1 1 A 7 7 THR C C 7 172.840 172.991 -0.151 1 1 49 . 8 1 1 A 7 7 THR CA C 7 60.050 60.173 -0.123 1 1 50 . 8 1 1 A 7 7 THR N N 7 116.910 122.665 -5.755 1 1 51 . 8 1 1 A 8 8 PRO HA H 8 4.414 4.422 -0.008 1 1 54 . 8 1 1 A 8 8 PRO C C 8 176.690 177.189 -0.499 1 1 55 . 8 1 1 A 8 8 PRO CA C 8 63.090 63.045 0.045 1 1 56 . 8 1 1 A 8 8 PRO CB C 8 32.290 31.950 0.340 1 1 57 . 8 1 1 A 9 9 GLU H H 9 8.467 8.547 -0.080 1 1 58 . 8 1 1 A 9 9 GLU HA H 9 4.527 4.794 -0.267 1 1 63 . 8 1 1 A 9 9 GLU C C 9 174.680 174.560 0.120 1 1 64 . 8 1 1 A 9 9 GLU CA C 9 54.550 53.802 0.748 1 1 65 . 8 1 1 A 9 9 GLU N N 9 122.910 121.135 1.775 1 1 66 . 8 1 1 A 10 10 PRO HA H 10 4.371 4.521 -0.150 1 1 71 . 8 1 1 A 10 10 PRO C C 10 176.820 176.847 -0.027 1 1 72 . 8 1 1 A 10 10 PRO CA C 10 63.300 62.814 0.486 1 1 73 . 8 1 1 A 10 10 PRO CB C 10 32.290 32.092 0.198 1 1 74 . 8 1 1 A 11 11 GLN H H 11 8.543 8.506 0.037 1 1 75 . 8 1 1 A 11 11 GLN HA H 11 4.334 4.828 -0.494 1 1 82 . 8 1 1 A 11 11 GLN C C 11 176.010 175.228 0.782 1 1 83 . 8 1 1 A 11 11 GLN CA C 11 55.710 55.169 0.541 1 1 84 . 8 1 1 A 11 11 GLN CB C 11 29.520 30.784 -1.264 1 1 85 . 8 1 1 A 11 11 GLN N N 11 121.100 120.153 0.947 1 1 87 . 8 1 1 A 12 12 VAL H H 12 8.201 8.193 0.008 1 1 88 . 8 1 1 A 12 12 VAL HA H 12 4.144 4.784 -0.640 1 1 96 . 8 1 1 A 12 12 VAL C C 12 175.940 174.827 1.113 1 1 97 . 8 1 1 A 12 12 VAL CA C 12 62.110 61.239 0.871 1 1 98 . 8 1 1 A 12 12 VAL CB C 12 32.800 33.307 -0.507 1 1 99 . 8 1 1 A 12 12 VAL N N 12 122.070 120.765 1.305 1 1 100 . 8 1 1 A 13 13 GLU H H 13 8.593 8.563 0.030 1 1 101 . 8 1 1 A 13 13 GLU HA H 13 4.329 4.589 -0.260 1 1 106 . 8 1 1 A 13 13 GLU C C 13 176.720 174.934 1.786 1 1 107 . 8 1 1 A 13 13 GLU CA C 13 56.830 55.641 1.189 1 1 108 . 8 1 1 A 13 13 GLU CB C 13 30.860 34.074 -3.214 1 1 109 . 8 1 1 A 13 13 GLU N N 13 124.660 125.934 -1.274 1 1 138 . 8 1 1 A 17 17 VAL H H 17 8.458 8.686 -0.228 1 1 139 . 8 1 1 A 17 17 VAL HA H 17 4.183 4.659 -0.476 1 1 147 . 8 1 1 A 17 17 VAL C C 17 175.950 174.959 0.991 1 1 148 . 8 1 1 A 17 17 VAL CA C 17 63.780 62.019 1.761 1 1 149 . 8 1 1 A 17 17 VAL CB C 17 32.460 32.350 0.110 1 1 150 . 8 1 1 A 17 17 VAL N N 17 124.860 124.338 0.522 1 1 151 . 8 1 1 A 18 18 PHE H H 18 8.579 9.555 -0.976 1 1 152 . 8 1 1 A 18 18 PHE HA H 18 4.650 4.710 -0.060 1 1 160 . 8 1 1 A 18 18 PHE C C 18 173.450 174.070 -0.620 1 1 161 . 8 1 1 A 18 18 PHE CA C 18 57.480 56.837 0.643 1 1 162 . 8 1 1 A 18 18 PHE CB C 18 41.950 39.422 2.528 1 1 163 . 8 1 1 A 18 18 PHE N N 18 127.160 128.660 -1.500 1 1 164 . 8 1 1 A 19 19 ARG H H 19 7.920 8.478 -0.558 1 1 165 . 8 1 1 A 19 19 ARG HA H 19 4.196 4.936 -0.740 1 1 170 . 8 1 1 A 19 19 ARG C C 19 174.930 175.014 -0.084 1 1 171 . 8 1 1 A 19 19 ARG CA C 19 54.800 54.731 0.069 1 1 172 . 8 1 1 A 19 19 ARG CB C 19 30.610 31.476 -0.866 1 1 173 . 8 1 1 A 19 19 ARG N N 19 127.500 126.182 1.318 1 1 174 . 8 1 1 A 20 20 ALA H H 20 8.067 8.640 -0.573 1 1 175 . 8 1 1 A 20 20 ALA HA H 20 3.729 4.428 -0.699 1 1 179 . 8 1 1 A 20 20 ALA C C 20 177.630 176.783 0.847 1 1 180 . 8 1 1 A 20 20 ALA CA C 20 53.280 50.903 2.377 1 1 181 . 8 1 1 A 20 20 ALA CB C 20 18.860 22.317 -3.457 1 1 182 . 8 1 1 A 20 20 ALA N N 20 126.460 125.285 1.175 1 1 183 . 8 1 1 A 21 21 ASP H H 21 8.355 9.214 -0.859 1 1 184 . 8 1 1 A 21 21 ASP HA H 21 4.350 4.517 -0.167 1 1 187 . 8 1 1 A 21 21 ASP C C 21 176.720 176.418 0.302 1 1 188 . 8 1 1 A 21 21 ASP CA C 21 54.480 55.028 -0.548 1 1 189 . 8 1 1 A 21 21 ASP CB C 21 40.350 39.999 0.351 1 1 190 . 8 1 1 A 21 21 ASP N N 21 117.850 116.698 1.152 1 1 191 . 8 1 1 A 22 22 LEU H H 22 7.705 7.730 -0.025 1 1 192 . 8 1 1 A 22 22 LEU HA H 22 4.088 4.315 -0.227 1 1 202 . 8 1 1 A 22 22 LEU C C 22 177.760 178.078 -0.318 1 1 203 . 8 1 1 A 22 22 LEU CA C 22 55.780 55.234 0.546 1 1 204 . 8 1 1 A 22 22 LEU CB C 22 41.860 41.832 0.028 1 1 205 . 8 1 1 A 22 22 LEU N N 22 121.600 119.013 2.587 1 1 206 . 8 1 1 A 23 23 LEU H H 23 7.717 7.318 0.399 1 1 207 . 8 1 1 A 23 23 LEU HA H 23 4.166 4.162 0.004 1 1 217 . 8 1 1 A 23 23 LEU C C 23 177.840 179.420 -1.580 1 1 218 . 8 1 1 A 23 23 LEU CA C 23 55.960 57.800 -1.840 1 1 219 . 8 1 1 A 23 23 LEU CB C 23 41.950 41.437 0.513 1 1 220 . 8 1 1 A 23 23 LEU N N 23 120.360 119.001 1.359 1 1 221 . 8 1 1 A 24 24 LYS H H 24 7.933 8.132 -0.199 1 1 222 . 8 1 1 A 24 24 LYS HA H 24 4.174 4.221 -0.047 1 1 229 . 8 1 1 A 24 24 LYS C C 24 177.190 179.097 -1.907 1 1 230 . 8 1 1 A 24 24 LYS CA C 24 57.050 59.298 -2.248 1 1 231 . 8 1 1 A 24 24 LYS CB C 24 32.880 32.297 0.583 1 1 232 . 8 1 1 A 24 24 LYS N N 24 121.120 118.854 2.266 1 1 233 . 8 1 1 A 25 25 GLU H H 25 8.160 7.943 0.217 1 1 234 . 8 1 1 A 25 25 GLU HA H 25 4.199 4.109 0.090 1 1 239 . 8 1 1 A 25 25 GLU C C 25 176.900 178.760 -1.860 1 1 240 . 8 1 1 A 25 25 GLU CA C 25 57.010 58.932 -1.922 1 1 241 . 8 1 1 A 25 25 GLU CB C 25 30.280 29.110 1.170 1 1 242 . 8 1 1 A 25 25 GLU N N 25 121.550 120.266 1.284 1 1 243 . 8 1 1 A 26 26 MET H H 26 8.270 8.072 0.198 1 1 244 . 8 1 1 A 26 26 MET HA H 26 4.360 4.576 -0.216 1 1 252 . 8 1 1 A 26 26 MET C C 26 176.440 178.287 -1.847 1 1 253 . 8 1 1 A 26 26 MET CA C 26 56.180 57.719 -1.539 1 1 254 . 8 1 1 A 26 26 MET CB C 26 33.050 32.602 0.448 1 1 255 . 8 1 1 A 26 26 MET N N 26 120.730 119.862 0.868 1 1 256 . 8 1 1 A 27 27 GLU H H 27 8.297 8.012 0.285 1 1 257 . 8 1 1 A 27 27 GLU HA H 27 4.264 4.326 -0.062 1 1 262 . 8 1 1 A 27 27 GLU C C 27 176.650 178.434 -1.784 1 1 263 . 8 1 1 A 27 27 GLU CA C 27 56.830 58.246 -1.416 1 1 264 . 8 1 1 A 27 27 GLU CB C 27 30.530 30.076 0.454 1 1 265 . 8 1 1 A 27 27 GLU N N 27 121.650 120.258 1.392 1 1 266 . 8 1 1 A 28 28 SER H H 28 8.279 7.840 0.439 1 1 267 . 8 1 1 A 28 28 SER HA H 28 4.473 4.368 0.105 1 1 270 . 8 1 1 A 28 28 SER C C 28 174.760 175.837 -1.077 1 1 271 . 8 1 1 A 28 28 SER CA C 28 58.460 62.009 -3.549 1 1 272 . 8 1 1 A 28 28 SER CB C 28 64.190 63.658 0.532 1 1 273 . 8 1 1 A 28 28 SER N N 28 116.610 117.776 -1.166 1 1 274 . 8 1 1 A 29 29 SER H H 29 8.443 8.048 0.395 1 1 275 . 8 1 1 A 29 29 SER HA H 29 4.541 4.375 0.166 1 1 278 . 8 1 1 A 29 29 SER C C 29 174.950 174.913 0.037 1 1 279 . 8 1 1 A 29 29 SER CA C 29 58.530 59.289 -0.759 1 1 280 . 8 1 1 A 29 29 SER CB C 29 64.190 63.446 0.744 1 1 281 . 8 1 1 A 29 29 SER N N 29 118.290 114.358 3.932 1 1 282 . 8 1 1 A 30 30 THR H H 30 8.220 7.152 1.068 1 1 283 . 8 1 1 A 30 30 THR HA H 30 4.372 4.506 -0.134 1 1 288 . 8 1 1 A 30 30 THR C C 30 175.280 174.953 0.327 1 1 289 . 8 1 1 A 30 30 THR CA C 30 62.260 61.027 1.233 1 1 290 . 8 1 1 A 30 30 THR CB C 30 69.900 66.020 3.880 1 1 291 . 8 1 1 A 30 30 THR N N 30 115.600 115.438 0.162 1 1 292 . 8 1 1 A 31 31 GLY H H 31 8.401 8.632 -0.231 1 1 293 . 8 1 1 A 31 31 GLY HA2 H 31 4.005 4.111 -0.106 1 1 294 . 8 1 1 A 31 31 GLY HA3 H 31 4.005 4.114 -0.109 1 1 295 . 8 1 1 A 31 31 GLY C C 31 174.160 173.078 1.082 1 1 296 . 8 1 1 A 31 31 GLY CA C 31 45.470 45.484 -0.014 1 1 297 . 8 1 1 A 31 31 GLY N N 31 111.270 110.581 0.689 1 1 298 . 8 1 1 A 32 32 THR H H 32 8.034 7.582 0.452 1 1 299 . 8 1 1 A 32 32 THR HA H 32 4.319 4.516 -0.197 1 1 304 . 8 1 1 A 32 32 THR C C 32 174.130 173.735 0.395 1 1 305 . 8 1 1 A 32 32 THR CA C 32 61.710 61.414 0.296 1 1 306 . 8 1 1 A 32 32 THR CB C 32 70.150 70.323 -0.173 1 1 307 . 8 1 1 A 32 32 THR N N 32 113.770 114.751 -0.981 1 1 308 . 8 1 1 A 33 33 ALA H H 33 8.410 8.724 -0.314 1 1 309 . 8 1 1 A 33 33 ALA HA H 33 4.581 4.424 0.157 1 1 313 . 8 1 1 A 33 33 ALA C C 33 175.490 176.028 -0.538 1 1 314 . 8 1 1 A 33 33 ALA CA C 33 50.680 50.393 0.287 1 1 315 . 8 1 1 A 33 33 ALA N N 33 128.320 129.766 -1.446 1 1 316 . 8 1 1 A 34 34 PRO HA H 34 4.389 4.544 -0.155 1 1 321 . 8 1 1 A 34 34 PRO C C 34 176.650 175.782 0.868 1 1 322 . 8 1 1 A 34 34 PRO CA C 34 63.090 62.515 0.575 1 1 323 . 8 1 1 A 34 34 PRO CB C 34 32.210 32.110 0.100 1 1 324 . 8 1 1 A 35 35 ALA H H 35 8.433 8.312 0.121 1 1 325 . 8 1 1 A 35 35 ALA HA H 35 4.275 4.915 -0.640 1 1 329 . 8 1 1 A 35 35 ALA C C 35 177.730 176.531 1.199 1 1 330 . 8 1 1 A 35 35 ALA CA C 35 52.590 50.768 1.822 1 1 331 . 8 1 1 A 35 35 ALA CB C 35 19.450 20.991 -1.541 1 1 332 . 8 1 1 A 35 35 ALA N N 35 124.330 124.423 -0.093 1 1 333 . 8 1 1 A 36 36 SER H H 36 8.259 9.159 -0.900 1 1 334 . 8 1 1 A 36 36 SER HA H 36 4.474 4.736 -0.262 1 1 337 . 8 1 1 A 36 36 SER C C 36 174.860 175.772 -0.912 1 1 338 . 8 1 1 A 36 36 SER CA C 36 58.130 59.438 -1.308 1 1 339 . 8 1 1 A 36 36 SER CB C 36 64.190 63.197 0.993 1 1 340 . 8 1 1 A 36 36 SER N N 36 114.560 118.808 -4.248 1 1 341 . 8 1 1 A 37 37 THR H H 37 8.325 8.752 -0.427 1 1 342 . 8 1 1 A 37 37 THR HA H 37 4.281 4.332 -0.051 1 1 346 . 8 1 1 A 37 37 THR C C 37 175.110 174.619 0.491 1 1 347 . 8 1 1 A 37 37 THR CA C 37 62.260 63.082 -0.822 1 1 348 . 8 1 1 A 37 37 THR CB C 37 70.150 69.761 0.389 1 1 349 . 8 1 1 A 37 37 THR N N 37 115.300 118.056 -2.756 1 1 350 . 8 1 1 A 38 38 GLY H H 38 8.511 7.769 0.742 1 1 351 . 8 1 1 A 38 38 GLY HA2 H 38 3.975 4.113 -0.138 1 1 352 . 8 1 1 A 38 38 GLY HA3 H 38 3.809 4.119 -0.310 1 1 353 . 8 1 1 A 38 38 GLY C C 38 174.470 174.440 0.030 1 1 354 . 8 1 1 A 38 38 GLY CA C 38 45.470 45.014 0.456 1 1 355 . 8 1 1 A 38 38 GLY N N 38 110.440 109.865 0.575 1 1 356 . 8 1 1 A 39 39 ALA H H 39 8.245 8.753 -0.508 1 1 357 . 8 1 1 A 39 39 ALA HA H 39 4.164 4.296 -0.132 1 1 361 . 8 1 1 A 39 39 ALA C C 39 177.590 178.476 -0.886 1 1 362 . 8 1 1 A 39 39 ALA CA C 39 52.560 52.915 -0.355 1 1 363 . 8 1 1 A 39 39 ALA CB C 39 19.360 19.245 0.115 1 1 364 . 8 1 1 A 39 39 ALA N N 39 124.080 124.162 -0.082 1 1 365 . 8 1 1 A 40 40 GLU H H 40 8.721 8.931 -0.210 1 1 366 . 8 1 1 A 40 40 GLU HA H 40 4.083 4.215 -0.132 1 1 371 . 8 1 1 A 40 40 GLU C C 40 176.320 177.665 -1.345 1 1 372 . 8 1 1 A 40 40 GLU CA C 40 57.910 57.997 -0.087 1 1 373 . 8 1 1 A 40 40 GLU CB C 40 29.520 28.338 1.182 1 1 374 . 8 1 1 A 40 40 GLU N N 40 118.270 117.800 0.470 1 1 375 . 8 1 1 A 41 41 ASN H H 41 8.226 8.008 0.218 1 1 376 . 8 1 1 A 41 41 ASN HA H 41 4.716 4.784 -0.068 1 1 381 . 8 1 1 A 41 41 ASN C C 41 174.800 174.850 -0.050 1 1 382 . 8 1 1 A 41 41 ASN CA C 41 52.880 54.216 -1.336 1 1 383 . 8 1 1 A 41 41 ASN CB C 41 38.840 39.258 -0.418 1 1 384 . 8 1 1 A 41 41 ASN N N 41 117.620 117.169 0.451 1 1 386 . 8 1 1 A 42 42 LEU H H 42 7.629 7.738 -0.109 1 1 387 . 8 1 1 A 42 42 LEU HA H 42 4.418 4.009 0.409 1 1 397 . 8 1 1 A 42 42 LEU C C 42 174.610 177.009 -2.399 1 1 398 . 8 1 1 A 42 42 LEU CA C 42 53.170 55.760 -2.590 1 1 399 . 8 1 1 A 42 42 LEU N N 42 123.010 116.914 6.096 1 1 400 . 8 1 1 A 43 43 PRO HA H 43 4.366 4.295 0.071 1 1 407 . 8 1 1 A 43 43 PRO C C 43 177.050 177.241 -0.191 1 1 408 . 8 1 1 A 43 43 PRO CA C 43 62.260 66.222 -3.962 1 1 409 . 8 1 1 A 43 43 PRO CB C 43 32.380 31.113 1.267 1 1 410 . 8 1 1 A 44 44 ALA H H 44 8.552 7.755 0.797 1 1 411 . 8 1 1 A 44 44 ALA HA H 44 4.223 4.521 -0.298 1 1 415 . 8 1 1 A 44 44 ALA C C 44 179.500 178.253 1.247 1 1 416 . 8 1 1 A 44 44 ALA CA C 44 53.250 51.602 1.648 1 1 417 . 8 1 1 A 44 44 ALA CB C 44 18.190 20.168 -1.978 1 1 418 . 8 1 1 A 44 44 ALA N N 44 125.070 117.511 7.559 1 1 419 . 8 1 1 A 45 45 GLY H H 45 8.897 8.652 0.245 1 1 420 . 8 1 1 A 45 45 GLY HA2 H 45 4.214 3.949 0.265 1 1 421 . 8 1 1 A 45 45 GLY HA3 H 45 3.833 3.979 -0.146 1 1 422 . 8 1 1 A 45 45 GLY C C 45 173.720 173.603 0.117 1 1 423 . 8 1 1 A 45 45 GLY CA C 45 45.790 45.489 0.301 1 1 424 . 8 1 1 A 45 45 GLY N N 45 110.600 109.481 1.119 1 1 425 . 8 1 1 A 46 46 SER H H 46 7.690 7.794 -0.104 1 1 426 . 8 1 1 A 46 46 SER HA H 46 5.338 5.235 0.103 1 1 429 . 8 1 1 A 46 46 SER C C 46 172.990 173.175 -0.185 1 1 430 . 8 1 1 A 46 46 SER CA C 46 57.810 56.254 1.556 1 1 431 . 8 1 1 A 46 46 SER CB C 46 66.960 66.499 0.461 1 1 432 . 8 1 1 A 46 46 SER N N 46 114.180 112.984 1.196 1 1 433 . 8 1 1 A 47 47 ALA H H 47 8.435 8.753 -0.318 1 1 434 . 8 1 1 A 47 47 ALA HA H 47 4.338 4.877 -0.539 1 1 438 . 8 1 1 A 47 47 ALA C C 47 173.840 175.947 -2.107 1 1 439 . 8 1 1 A 47 47 ALA CA C 47 51.690 51.391 0.299 1 1 440 . 8 1 1 A 47 47 ALA CB C 47 24.570 23.273 1.297 1 1 441 . 8 1 1 A 47 47 ALA N N 47 120.900 121.506 -0.606 1 1 442 . 8 1 1 A 48 48 LEU H H 48 8.673 8.612 0.061 1 1 443 . 8 1 1 A 48 48 LEU HA H 48 5.021 5.338 -0.317 1 1 453 . 8 1 1 A 48 48 LEU C C 48 174.680 175.385 -0.705 1 1 454 . 8 1 1 A 48 48 LEU CA C 48 53.350 52.620 0.730 1 1 455 . 8 1 1 A 48 48 LEU CB C 48 48.150 46.228 1.922 1 1 456 . 8 1 1 A 48 48 LEU N N 48 120.170 115.938 4.232 1 1 457 . 8 1 1 A 49 49 LEU H H 49 8.686 9.262 -0.576 1 1 458 . 8 1 1 A 49 49 LEU HA H 49 5.403 5.357 0.046 1 1 468 . 8 1 1 A 49 49 LEU C C 49 176.170 175.121 1.049 1 1 469 . 8 1 1 A 49 49 LEU CA C 49 52.810 53.169 -0.359 1 1 470 . 8 1 1 A 49 49 LEU CB C 49 46.310 44.063 2.247 1 1 471 . 8 1 1 A 49 49 LEU N N 49 120.170 120.845 -0.675 1 1 472 . 8 1 1 A 50 50 VAL H H 50 8.874 9.379 -0.505 1 1 473 . 8 1 1 A 50 50 VAL HA H 50 4.971 5.219 -0.248 1 1 481 . 8 1 1 A 50 50 VAL C C 50 176.740 174.383 2.357 1 1 482 . 8 1 1 A 50 50 VAL CA C 50 59.940 60.041 -0.101 1 1 483 . 8 1 1 A 50 50 VAL CB C 50 34.970 34.669 0.301 1 1 484 . 8 1 1 A 50 50 VAL N N 50 120.580 120.694 -0.114 1 1 485 . 8 1 1 A 51 51 VAL H H 51 8.984 9.347 -0.363 1 1 486 . 8 1 1 A 51 51 VAL HA H 51 4.155 4.030 0.125 1 1 494 . 8 1 1 A 51 51 VAL C C 51 176.050 176.080 -0.030 1 1 495 . 8 1 1 A 51 51 VAL CA C 51 64.280 63.465 0.815 1 1 496 . 8 1 1 A 51 51 VAL CB C 51 31.280 31.244 0.036 1 1 497 . 8 1 1 A 51 51 VAL N N 51 125.710 128.661 -2.951 1 1 498 . 8 1 1 A 52 52 LYS H H 52 9.444 9.208 0.236 1 1 499 . 8 1 1 A 52 52 LYS HA H 52 4.450 4.334 0.116 1 1 506 . 8 1 1 A 52 52 LYS C C 52 176.150 175.749 0.401 1 1 507 . 8 1 1 A 52 52 LYS CA C 52 57.050 57.479 -0.429 1 1 508 . 8 1 1 A 52 52 LYS CB C 52 34.470 33.859 0.611 1 1 509 . 8 1 1 A 52 52 LYS N N 52 132.750 129.982 2.768 1 1 510 . 8 1 1 A 53 53 ARG H H 53 8.051 7.659 0.392 1 1 511 . 8 1 1 A 53 53 ARG HA H 53 4.685 4.817 -0.132 1 1 516 . 8 1 1 A 53 53 ARG C C 53 173.470 174.764 -1.294 1 1 517 . 8 1 1 A 53 53 ARG CA C 53 55.090 55.180 -0.090 1 1 518 . 8 1 1 A 53 53 ARG CB C 53 34.300 34.112 0.188 1 1 519 . 8 1 1 A 53 53 ARG N N 53 117.320 118.800 -1.480 1 1 520 . 8 1 1 A 54 54 GLY H H 54 8.377 8.346 0.031 1 1 521 . 8 1 1 A 54 54 GLY HA2 H 54 4.215 3.491 0.724 1 1 522 . 8 1 1 A 54 54 GLY HA3 H 54 3.503 3.932 -0.429 1 1 523 . 8 1 1 A 54 54 GLY C C 54 171.870 174.331 -2.461 1 1 524 . 8 1 1 A 54 54 GLY CA C 54 43.770 44.058 -0.288 1 1 525 . 8 1 1 A 54 54 GLY N N 54 110.960 111.966 -1.006 1 1 526 . 8 1 1 A 55 55 PRO HA H 55 4.255 4.336 -0.081 1 1 531 . 8 1 1 A 55 55 PRO C C 55 175.940 177.347 -1.407 1 1 532 . 8 1 1 A 55 55 PRO CA C 55 64.390 64.351 0.039 1 1 533 . 8 1 1 A 55 55 PRO CB C 55 31.360 31.969 -0.609 1 1 534 . 8 1 1 A 56 56 ASN H H 56 8.202 8.238 -0.036 1 1 535 . 8 1 1 A 56 56 ASN HA H 56 4.685 4.766 -0.081 1 1 540 . 8 1 1 A 56 56 ASN C C 56 174.410 175.473 -1.063 1 1 541 . 8 1 1 A 56 56 ASN CA C 56 52.120 52.507 -0.387 1 1 542 . 8 1 1 A 56 56 ASN CB C 56 37.070 37.633 -0.563 1 1 543 . 8 1 1 A 56 56 ASN N N 56 114.760 113.690 1.070 1 1 545 . 8 1 1 A 57 57 ALA H H 57 7.283 7.119 0.164 1 1 546 . 8 1 1 A 57 57 ALA HA H 57 3.618 4.092 -0.474 1 1 550 . 8 1 1 A 57 57 ALA C C 57 178.090 178.382 -0.292 1 1 551 . 8 1 1 A 57 57 ALA CA C 57 54.480 53.676 0.804 1 1 552 . 8 1 1 A 57 57 ALA CB C 57 17.760 18.744 -0.984 1 1 553 . 8 1 1 A 57 57 ALA N N 57 120.380 124.077 -3.697 1 1 554 . 8 1 1 A 58 58 GLY H H 58 9.052 9.328 -0.276 1 1 555 . 8 1 1 A 58 58 GLY HA2 H 58 4.449 4.011 0.438 1 1 556 . 8 1 1 A 58 58 GLY HA3 H 58 3.415 4.014 -0.599 1 1 557 . 8 1 1 A 58 58 GLY C C 58 174.610 174.274 0.336 1 1 558 . 8 1 1 A 58 58 GLY CA C 58 44.530 44.989 -0.459 1 1 559 . 8 1 1 A 58 58 GLY N N 58 112.180 110.393 1.787 1 1 560 . 8 1 1 A 59 59 ALA H H 59 8.171 7.518 0.653 1 1 561 . 8 1 1 A 59 59 ALA HA H 59 4.081 4.330 -0.249 1 1 565 . 8 1 1 A 59 59 ALA C C 59 175.220 176.872 -1.652 1 1 566 . 8 1 1 A 59 59 ALA CA C 59 53.170 52.081 1.089 1 1 567 . 8 1 1 A 59 59 ALA CB C 59 19.360 19.676 -0.316 1 1 568 . 8 1 1 A 59 59 ALA N N 59 124.650 123.857 0.793 1 1 569 . 8 1 1 A 60 60 ARG H H 60 7.751 8.796 -1.045 1 1 570 . 8 1 1 A 60 60 ARG HA H 60 5.105 5.523 -0.418 1 1 575 . 8 1 1 A 60 60 ARG C C 60 175.320 174.768 0.552 1 1 576 . 8 1 1 A 60 60 ARG CA C 60 54.150 54.255 -0.105 1 1 577 . 8 1 1 A 60 60 ARG CB C 60 34.130 33.895 0.235 1 1 578 . 8 1 1 A 60 60 ARG N N 60 116.920 119.092 -2.172 1 1 579 . 8 1 1 A 61 61 PHE H H 61 9.213 9.213 0.000 1 1 580 . 8 1 1 A 61 61 PHE HA H 61 4.788 4.980 -0.192 1 1 587 . 8 1 1 A 61 61 PHE C C 61 173.930 175.399 -1.469 1 1 588 . 8 1 1 A 61 61 PHE CA C 61 56.500 56.907 -0.407 1 1 589 . 8 1 1 A 61 61 PHE CB C 61 41.860 43.143 -1.283 1 1 590 . 8 1 1 A 61 61 PHE N N 61 121.090 119.086 2.004 1 1 591 . 8 1 1 A 62 62 LEU H H 62 8.638 8.770 -0.132 1 1 592 . 8 1 1 A 62 62 LEU HA H 62 4.566 5.132 -0.566 1 1 602 . 8 1 1 A 62 62 LEU C C 62 176.570 175.914 0.656 1 1 603 . 8 1 1 A 62 62 LEU CA C 62 55.130 53.304 1.826 1 1 604 . 8 1 1 A 62 62 LEU CB C 62 43.620 43.312 0.308 1 1 605 . 8 1 1 A 62 62 LEU N N 62 125.630 120.473 5.157 1 1 606 . 8 1 1 A 63 63 LEU H H 63 8.929 9.460 -0.531 1 1 607 . 8 1 1 A 63 63 LEU HA H 63 4.852 5.081 -0.229 1 1 617 . 8 1 1 A 63 63 LEU C C 63 175.070 175.723 -0.653 1 1 618 . 8 1 1 A 63 63 LEU CA C 63 53.170 53.973 -0.803 1 1 619 . 8 1 1 A 63 63 LEU CB C 63 42.110 42.662 -0.552 1 1 620 . 8 1 1 A 63 63 LEU N N 63 125.980 123.398 2.582 1 1 621 . 8 1 1 A 64 64 ASP H H 64 8.601 8.499 0.102 1 1 622 . 8 1 1 A 64 64 ASP HA H 64 4.736 5.112 -0.376 1 1 625 . 8 1 1 A 64 64 ASP C C 64 175.130 174.207 0.923 1 1 626 . 8 1 1 A 64 64 ASP CA C 64 53.640 53.685 -0.045 1 1 627 . 8 1 1 A 64 64 ASP CB C 64 41.020 40.792 0.228 1 1 628 . 8 1 1 A 64 64 ASP N N 64 120.910 125.241 -4.331 1 1 629 . 8 1 1 A 65 65 GLN H H 65 7.497 7.879 -0.382 1 1 630 . 8 1 1 A 65 65 GLN HA H 65 4.856 4.947 -0.091 1 1 637 . 8 1 1 A 65 65 GLN C C 65 173.550 175.476 -1.926 1 1 638 . 8 1 1 A 65 65 GLN CA C 65 52.780 53.487 -0.707 1 1 639 . 8 1 1 A 65 65 GLN N N 65 117.420 119.483 -2.063 1 1 641 . 8 1 1 A 66 66 PRO HA H 66 4.190 4.420 -0.230 1 1 648 . 8 1 1 A 66 66 PRO C C 66 177.400 176.678 0.722 1 1 649 . 8 1 1 A 66 66 PRO CA C 66 66.810 64.954 1.856 1 1 650 . 8 1 1 A 66 66 PRO CB C 66 32.370 32.052 0.318 1 1 651 . 8 1 1 A 67 67 THR H H 67 7.647 7.505 0.142 1 1 652 . 8 1 1 A 67 67 THR HA H 67 4.811 5.010 -0.199 1 1 657 . 8 1 1 A 67 67 THR C C 67 173.280 173.051 0.229 1 1 658 . 8 1 1 A 67 67 THR CA C 67 62.830 61.372 1.458 1 1 659 . 8 1 1 A 67 67 THR CB C 67 71.740 71.570 0.170 1 1 660 . 8 1 1 A 67 67 THR N N 67 109.270 111.842 -2.572 1 1 661 . 8 1 1 A 68 68 THR H H 68 8.919 9.426 -0.507 1 1 662 . 8 1 1 A 68 68 THR HA H 68 4.968 5.045 -0.077 1 1 667 . 8 1 1 A 68 68 THR C C 68 175.090 174.041 1.049 1 1 668 . 8 1 1 A 68 68 THR CA C 68 61.820 62.041 -0.221 1 1 669 . 8 1 1 A 68 68 THR CB C 68 70.730 69.913 0.817 1 1 670 . 8 1 1 A 68 68 THR N N 68 125.610 123.810 1.800 1 1 671 . 8 1 1 A 69 69 THR H H 69 10.398 8.765 1.633 1 1 672 . 8 1 1 A 69 69 THR HA H 69 4.491 4.886 -0.395 1 1 677 . 8 1 1 A 69 69 THR C C 69 173.140 173.911 -0.771 1 1 678 . 8 1 1 A 69 69 THR CA C 69 61.790 60.698 1.092 1 1 679 . 8 1 1 A 69 69 THR CB C 69 70.820 70.175 0.645 1 1 680 . 8 1 1 A 69 69 THR N N 69 121.520 119.387 2.133 1 1 681 . 8 1 1 A 70 70 ALA H H 70 8.722 8.635 0.087 1 1 682 . 8 1 1 A 70 70 ALA HA H 70 5.696 5.405 0.291 1 1 686 . 8 1 1 A 70 70 ALA C C 70 175.840 176.370 -0.530 1 1 687 . 8 1 1 A 70 70 ALA CA C 70 50.030 50.257 -0.227 1 1 688 . 8 1 1 A 70 70 ALA CB C 70 22.300 22.271 0.029 1 1 689 . 8 1 1 A 70 70 ALA N N 70 122.410 126.032 -3.622 1 1 690 . 8 1 1 A 71 71 GLY H H 71 8.430 7.862 0.568 1 1 691 . 8 1 1 A 71 71 GLY HA2 H 71 4.474 4.143 0.331 1 1 692 . 8 1 1 A 71 71 GLY HA3 H 71 3.903 4.158 -0.255 1 1 693 . 8 1 1 A 71 71 GLY C C 71 170.540 171.336 -0.796 1 1 694 . 8 1 1 A 71 71 GLY CA C 71 46.300 45.794 0.506 1 1 695 . 8 1 1 A 71 71 GLY N N 71 108.960 107.984 0.976 1 1 696 . 8 1 1 A 72 72 ARG H H 72 8.341 8.319 0.022 1 1 697 . 8 1 1 A 72 72 ARG HA H 72 4.481 5.119 -0.638 1 1 702 . 8 1 1 A 72 72 ARG C C 72 175.720 175.367 0.353 1 1 703 . 8 1 1 A 72 72 ARG CA C 72 54.800 55.495 -0.695 1 1 704 . 8 1 1 A 72 72 ARG CB C 72 32.540 31.453 1.087 1 1 705 . 8 1 1 A 72 72 ARG N N 72 120.930 121.149 -0.219 1 1 706 . 8 1 1 A 73 73 HIS H H 73 9.295 8.197 1.098 1 1 707 . 8 1 1 A 73 73 HIS HA H 73 4.403 4.931 -0.528 1 1 712 . 8 1 1 A 73 73 HIS C C 73 176.860 175.579 1.281 1 1 713 . 8 1 1 A 73 73 HIS CA C 73 57.050 57.041 0.009 1 1 714 . 8 1 1 A 73 73 HIS N N 73 125.290 120.936 4.354 1 1 715 . 8 1 1 A 74 74 PRO HA H 74 4.373 4.646 -0.273 1 1 722 . 8 1 1 A 74 74 PRO C C 74 177.590 177.068 0.522 1 1 723 . 8 1 1 A 74 74 PRO CA C 74 64.930 64.569 0.361 1 1 724 . 8 1 1 A 74 74 PRO CB C 74 32.030 31.764 0.266 1 1 725 . 8 1 1 A 75 75 GLU H H 75 10.575 8.500 2.075 1 1 726 . 8 1 1 A 75 75 GLU HA H 75 4.352 4.356 -0.004 1 1 731 . 8 1 1 A 75 75 GLU C C 75 177.320 176.458 0.862 1 1 732 . 8 1 1 A 75 75 GLU CA C 75 56.070 57.201 -1.131 1 1 733 . 8 1 1 A 75 75 GLU CB C 75 29.010 28.994 0.016 1 1 734 . 8 1 1 A 75 75 GLU N N 75 119.840 116.278 3.562 1 1 735 . 8 1 1 A 76 76 SER H H 76 8.236 7.675 0.561 1 1 736 . 8 1 1 A 76 76 SER HA H 76 4.100 4.764 -0.664 1 1 739 . 8 1 1 A 76 76 SER C C 76 173.120 174.421 -1.301 1 1 740 . 8 1 1 A 76 76 SER CA C 76 60.160 59.321 0.839 1 1 741 . 8 1 1 A 76 76 SER CB C 76 65.530 64.097 1.433 1 1 742 . 8 1 1 A 76 76 SER N N 76 118.860 116.470 2.390 1 1 743 . 8 1 1 A 77 77 ASP H H 77 8.541 9.162 -0.621 1 1 744 . 8 1 1 A 77 77 ASP HA H 77 4.344 4.453 -0.109 1 1 747 . 8 1 1 A 77 77 ASP C C 77 177.590 175.741 1.849 1 1 748 . 8 1 1 A 77 77 ASP CA C 77 58.380 56.874 1.506 1 1 749 . 8 1 1 A 77 77 ASP CB C 77 42.110 40.675 1.435 1 1 750 . 8 1 1 A 77 77 ASP N N 77 126.720 123.938 2.782 1 1 751 . 8 1 1 A 78 78 ILE H H 78 8.571 8.302 0.269 1 1 752 . 8 1 1 A 78 78 ILE HA H 78 3.563 3.585 -0.022 1 1 762 . 8 1 1 A 78 78 ILE C C 78 172.930 174.810 -1.880 1 1 763 . 8 1 1 A 78 78 ILE CA C 78 60.880 60.183 0.697 1 1 764 . 8 1 1 A 78 78 ILE CB C 78 37.410 38.094 -0.684 1 1 765 . 8 1 1 A 78 78 ILE N N 78 120.210 118.972 1.238 1 1 766 . 8 1 1 A 79 79 PHE H H 79 8.018 8.819 -0.801 1 1 767 . 8 1 1 A 79 79 PHE HA H 79 5.018 4.752 0.266 1 1 775 . 8 1 1 A 79 79 PHE C C 79 174.130 174.011 0.119 1 1 776 . 8 1 1 A 79 79 PHE CA C 79 55.780 56.395 -0.615 1 1 777 . 8 1 1 A 79 79 PHE CB C 79 39.170 40.112 -0.942 1 1 778 . 8 1 1 A 79 79 PHE N N 79 127.300 128.634 -1.334 1 1 779 . 8 1 1 A 80 80 LEU H H 80 7.695 8.671 -0.976 1 1 780 . 8 1 1 A 80 80 LEU HA H 80 3.619 5.081 -1.462 1 1 790 . 8 1 1 A 80 80 LEU C C 80 173.720 174.784 -1.064 1 1 791 . 8 1 1 A 80 80 LEU CA C 80 52.340 53.161 -0.821 1 1 792 . 8 1 1 A 80 80 LEU CB C 80 41.770 45.346 -3.576 1 1 793 . 8 1 1 A 80 80 LEU N N 80 131.810 128.342 3.468 1 1 794 . 8 1 1 A 81 81 ASP H H 81 7.974 8.808 -0.834 1 1 795 . 8 1 1 A 81 81 ASP HA H 81 4.141 5.277 -1.136 1 1 798 . 8 1 1 A 81 81 ASP C C 81 175.130 174.195 0.935 1 1 799 . 8 1 1 A 81 81 ASP CA C 81 53.210 52.583 0.627 1 1 800 . 8 1 1 A 81 81 ASP CB C 81 39.930 43.993 -4.063 1 1 801 . 8 1 1 A 81 81 ASP N N 81 121.130 124.353 -3.223 1 1 802 . 8 1 1 A 82 82 ASP H H 82 7.583 8.416 -0.833 1 1 803 . 8 1 1 A 82 82 ASP HA H 82 4.859 5.055 -0.196 1 1 806 . 8 1 1 A 82 82 ASP C C 82 176.760 175.396 1.364 1 1 807 . 8 1 1 A 82 82 ASP CA C 82 54.980 52.894 2.086 1 1 808 . 8 1 1 A 82 82 ASP CB C 82 39.170 44.444 -5.274 1 1 809 . 8 1 1 A 82 82 ASP N N 82 121.540 124.609 -3.069 1 1 810 . 8 1 1 A 83 83 VAL H H 83 8.344 8.844 -0.500 1 1 811 . 8 1 1 A 83 83 VAL HA H 83 4.012 3.779 0.233 1 1 819 . 8 1 1 A 83 83 VAL C C 83 174.860 176.950 -2.090 1 1 820 . 8 1 1 A 83 83 VAL CA C 83 65.330 65.862 -0.532 1 1 821 . 8 1 1 A 83 83 VAL CB C 83 31.530 31.485 0.045 1 1 822 . 8 1 1 A 83 83 VAL N N 83 122.260 121.649 0.611 1 1 823 . 8 1 1 A 84 84 THR H H 84 8.268 7.882 0.386 1 1 824 . 8 1 1 A 84 84 THR HA H 84 4.540 4.200 0.340 1 1 828 . 8 1 1 A 84 84 THR C C 84 175.360 174.001 1.359 1 1 829 . 8 1 1 A 84 84 THR CA C 84 63.810 64.029 -0.219 1 1 830 . 8 1 1 A 84 84 THR CB C 84 70.900 69.355 1.545 1 1 831 . 8 1 1 A 84 84 THR N N 84 110.620 117.015 -6.395 1 1 832 . 8 1 1 A 85 85 VAL H H 85 8.579 8.561 0.018 1 1 833 . 8 1 1 A 85 85 VAL HA H 85 4.254 4.297 -0.043 1 1 841 . 8 1 1 A 85 85 VAL C C 85 177.070 175.486 1.584 1 1 842 . 8 1 1 A 85 85 VAL CA C 85 61.930 62.844 -0.914 1 1 843 . 8 1 1 A 85 85 VAL CB C 85 32.450 31.441 1.009 1 1 844 . 8 1 1 A 85 85 VAL N N 85 126.860 128.183 -1.323 1 1 845 . 8 1 1 A 86 86 SER H H 86 11.668 8.757 2.911 1 1 846 . 8 1 1 A 86 86 SER HA H 86 5.203 5.044 0.159 1 1 849 . 8 1 1 A 86 86 SER C C 86 175.470 174.158 1.312 1 1 850 . 8 1 1 A 86 86 SER CA C 86 61.600 57.797 3.803 1 1 851 . 8 1 1 A 86 86 SER CB C 86 64.270 65.182 -0.912 1 1 852 . 8 1 1 A 86 86 SER N N 86 128.670 123.669 5.001 1 1 853 . 8 1 1 A 87 87 ARG H H 87 10.946 8.817 2.129 1 1 854 . 8 1 1 A 87 87 ARG HA H 87 5.179 4.254 0.925 1 1 862 . 8 1 1 A 87 87 ARG C C 87 177.110 175.877 1.233 1 1 863 . 8 1 1 A 87 87 ARG CA C 87 60.810 59.154 1.656 1 1 864 . 8 1 1 A 87 87 ARG CB C 87 29.010 29.976 -0.966 1 1 865 . 8 1 1 A 87 87 ARG N N 87 126.810 125.292 1.518 1 1 867 . 8 1 1 A 88 88 ARG H H 88 7.946 7.784 0.162 1 1 868 . 8 1 1 A 88 88 ARG HA H 88 4.459 4.722 -0.263 1 1 876 . 8 1 1 A 88 88 ARG C C 88 172.990 175.756 -2.766 1 1 877 . 8 1 1 A 88 88 ARG CA C 88 55.060 54.478 0.582 1 1 878 . 8 1 1 A 88 88 ARG CB C 88 29.770 33.326 -3.556 1 1 879 . 8 1 1 A 88 88 ARG N N 88 115.670 118.640 -2.970 1 1 881 . 8 1 1 A 89 89 HIS H H 89 7.613 8.996 -1.383 1 1 882 . 8 1 1 A 89 89 HIS HA H 89 4.437 4.513 -0.076 1 1 888 . 8 1 1 A 89 89 HIS C C 89 174.050 174.843 -0.793 1 1 889 . 8 1 1 A 89 89 HIS CA C 89 58.420 57.892 0.528 1 1 890 . 8 1 1 A 89 89 HIS CB C 89 32.620 31.771 0.849 1 1 891 . 8 1 1 A 89 89 HIS N N 89 124.000 124.889 -0.889 1 1 893 . 8 1 1 A 90 90 ALA H H 90 8.454 7.156 1.298 1 1 894 . 8 1 1 A 90 90 ALA HA H 90 5.529 4.377 1.152 1 1 898 . 8 1 1 A 90 90 ALA C C 90 176.260 174.660 1.600 1 1 899 . 8 1 1 A 90 90 ALA CA C 90 50.240 51.105 -0.865 1 1 900 . 8 1 1 A 90 90 ALA CB C 90 23.220 22.464 0.756 1 1 901 . 8 1 1 A 90 90 ALA N N 90 116.480 117.851 -1.371 1 1 902 . 8 1 1 A 91 91 GLU H H 91 9.216 8.931 0.285 1 1 903 . 8 1 1 A 91 91 GLU HA H 91 4.931 4.910 0.021 1 1 908 . 8 1 1 A 91 91 GLU C C 91 173.910 174.429 -0.519 1 1 909 . 8 1 1 A 91 91 GLU CA C 91 54.690 54.456 0.234 1 1 910 . 8 1 1 A 91 91 GLU CB C 91 34.720 32.812 1.908 1 1 911 . 8 1 1 A 91 91 GLU N N 91 118.140 117.277 0.863 1 1 912 . 8 1 1 A 92 92 PHE H H 92 9.330 9.248 0.082 1 1 913 . 8 1 1 A 92 92 PHE HA H 92 5.502 5.276 0.226 1 1 921 . 8 1 1 A 92 92 PHE C C 92 176.650 174.866 1.784 1 1 922 . 8 1 1 A 92 92 PHE CA C 92 56.760 56.675 0.085 1 1 923 . 8 1 1 A 92 92 PHE CB C 92 41.690 40.263 1.427 1 1 924 . 8 1 1 A 92 92 PHE N N 92 119.490 122.083 -2.593 1 1 925 . 8 1 1 A 93 93 ARG H H 93 9.846 9.438 0.408 1 1 926 . 8 1 1 A 93 93 ARG HA H 93 5.610 5.046 0.564 1 1 934 . 8 1 1 A 93 93 ARG C C 93 175.010 174.965 0.045 1 1 935 . 8 1 1 A 93 93 ARG CA C 93 54.580 54.813 -0.233 1 1 936 . 8 1 1 A 93 93 ARG CB C 93 34.220 33.084 1.136 1 1 937 . 8 1 1 A 93 93 ARG N N 93 127.300 123.912 3.388 1 1 939 . 8 1 1 A 94 94 ILE H H 94 8.521 8.683 -0.162 1 1 940 . 8 1 1 A 94 94 ILE HA H 94 4.410 4.820 -0.410 1 1 950 . 8 1 1 A 94 94 ILE C C 94 176.420 174.191 2.229 1 1 951 . 8 1 1 A 94 94 ILE CA C 94 61.130 60.160 0.970 1 1 952 . 8 1 1 A 94 94 ILE CB C 94 38.830 38.508 0.322 1 1 953 . 8 1 1 A 94 94 ILE N N 94 121.680 124.760 -3.080 1 1 954 . 8 1 1 A 95 95 ASN H H 95 8.847 9.091 -0.244 1 1 955 . 8 1 1 A 95 95 ASN HA H 95 4.796 5.107 -0.311 1 1 960 . 8 1 1 A 95 95 ASN C C 95 174.430 174.459 -0.029 1 1 961 . 8 1 1 A 95 95 ASN CA C 95 52.560 52.089 0.471 1 1 962 . 8 1 1 A 95 95 ASN CB C 95 40.510 40.578 -0.068 1 1 963 . 8 1 1 A 95 95 ASN N N 95 127.100 125.948 1.152 1 1 965 . 8 1 1 A 96 96 GLU H H 96 9.303 9.470 -0.167 1 1 966 . 8 1 1 A 96 96 GLU HA H 96 3.768 4.017 -0.249 1 1 971 . 8 1 1 A 96 96 GLU C C 96 176.280 176.474 -0.194 1 1 972 . 8 1 1 A 96 96 GLU CA C 96 57.150 57.573 -0.423 1 1 973 . 8 1 1 A 96 96 GLU CB C 96 27.590 27.934 -0.344 1 1 974 . 8 1 1 A 96 96 GLU N N 96 125.150 127.155 -2.005 1 1 975 . 8 1 1 A 97 97 GLY H H 97 7.937 8.510 -0.573 1 1 976 . 8 1 1 A 97 97 GLY HA2 H 97 4.042 3.708 0.334 1 1 977 . 8 1 1 A 97 97 GLY HA3 H 97 3.450 3.782 -0.332 1 1 978 . 8 1 1 A 97 97 GLY C C 97 172.990 173.614 -0.624 1 1 979 . 8 1 1 A 97 97 GLY CA C 97 45.390 45.224 0.166 1 1 980 . 8 1 1 A 97 97 GLY N N 97 104.330 104.733 -0.403 1 1 981 . 8 1 1 A 98 98 GLU H H 98 7.557 8.053 -0.496 1 1 982 . 8 1 1 A 98 98 GLU HA H 98 4.591 4.656 -0.065 1 1 987 . 8 1 1 A 98 98 GLU C C 98 174.530 175.610 -1.080 1 1 988 . 8 1 1 A 98 98 GLU CA C 98 54.770 54.678 0.092 1 1 989 . 8 1 1 A 98 98 GLU CB C 98 32.290 31.537 0.753 1 1 990 . 8 1 1 A 98 98 GLU N N 98 119.350 119.944 -0.594 1 1 991 . 8 1 1 A 99 99 PHE H H 99 9.412 9.115 0.297 1 1 992 . 8 1 1 A 99 99 PHE HA H 99 5.007 5.246 -0.239 1 1 999 . 8 1 1 A 99 99 PHE C C 99 174.050 175.273 -1.223 1 1 1000 . 8 1 1 A 99 99 PHE CA C 99 57.260 56.926 0.334 1 1 1001 . 8 1 1 A 99 99 PHE CB C 99 42.110 40.478 1.632 1 1 1002 . 8 1 1 A 99 99 PHE N N 99 122.550 120.926 1.624 1 1 1003 . 8 1 1 A 100 100 GLU H H 100 9.444 9.480 -0.036 1 1 1004 . 8 1 1 A 100 100 GLU HA H 100 5.145 5.315 -0.170 1 1 1009 . 8 1 1 A 100 100 GLU C C 100 175.340 174.737 0.603 1 1 1010 . 8 1 1 A 100 100 GLU CA C 100 54.080 54.650 -0.570 1 1 1011 . 8 1 1 A 100 100 GLU CB C 100 34.720 32.873 1.847 1 1 1012 . 8 1 1 A 100 100 GLU N N 100 124.080 120.570 3.510 1 1 1013 . 8 1 1 A 101 101 VAL H H 101 8.726 9.413 -0.687 1 1 1014 . 8 1 1 A 101 101 VAL HA H 101 4.900 4.829 0.071 1 1 1022 . 8 1 1 A 101 101 VAL C C 101 172.510 175.228 -2.718 1 1 1023 . 8 1 1 A 101 101 VAL CA C 101 58.710 61.721 -3.011 1 1 1024 . 8 1 1 A 101 101 VAL CB C 101 33.550 33.202 0.348 1 1 1025 . 8 1 1 A 101 101 VAL N N 101 124.500 124.550 -0.050 1 1 1026 . 8 1 1 A 102 102 VAL H H 102 8.719 9.440 -0.721 1 1 1027 . 8 1 1 A 102 102 VAL HA H 102 4.578 4.721 -0.143 1 1 1035 . 8 1 1 A 102 102 VAL C C 102 175.380 173.739 1.641 1 1 1036 . 8 1 1 A 102 102 VAL CA C 102 60.370 60.892 -0.522 1 1 1037 . 8 1 1 A 102 102 VAL CB C 102 36.060 34.114 1.946 1 1 1038 . 8 1 1 A 102 102 VAL N N 102 125.900 128.127 -2.227 1 1 1039 . 8 1 1 A 103 103 ASP H H 103 8.626 9.314 -0.688 1 1 1040 . 8 1 1 A 103 103 ASP HA H 103 4.856 4.779 0.077 1 1 1043 . 8 1 1 A 103 103 ASP C C 103 177.300 177.500 -0.200 1 1 1044 . 8 1 1 A 103 103 ASP CA C 103 54.580 53.516 1.064 1 1 1045 . 8 1 1 A 103 103 ASP CB C 103 44.210 42.881 1.329 1 1 1046 . 8 1 1 A 103 103 ASP N N 103 127.250 127.893 -0.643 1 1 1047 . 8 1 1 A 104 104 VAL H H 104 7.890 8.282 -0.392 1 1 1048 . 8 1 1 A 104 104 VAL HA H 104 4.527 4.361 0.166 1 1 1056 . 8 1 1 A 104 104 VAL C C 104 174.490 175.938 -1.448 1 1 1057 . 8 1 1 A 104 104 VAL CA C 104 60.630 61.807 -1.177 1 1 1058 . 8 1 1 A 104 104 VAL CB C 104 29.350 32.638 -3.288 1 1 1059 . 8 1 1 A 104 104 VAL N N 104 119.270 120.604 -1.334 1 1 1060 . 8 1 1 A 105 105 GLY H H 105 8.690 7.178 1.512 1 1 1061 . 8 1 1 A 105 105 GLY HA2 H 105 4.270 3.999 0.271 1 1 1062 . 8 1 1 A 105 105 GLY HA3 H 105 3.685 4.006 -0.321 1 1 1063 . 8 1 1 A 105 105 GLY C C 105 175.490 173.875 1.615 1 1 1064 . 8 1 1 A 105 105 GLY CA C 105 45.650 45.578 0.072 1 1 1065 . 8 1 1 A 105 105 GLY N N 105 111.790 110.104 1.686 1 1 1066 . 8 1 1 A 106 106 SER H H 106 9.218 8.601 0.617 1 1 1067 . 8 1 1 A 106 106 SER HA H 106 3.894 4.219 -0.325 1 1 1070 . 8 1 1 A 106 106 SER C C 106 174.590 176.159 -1.569 1 1 1071 . 8 1 1 A 106 106 SER CA C 106 58.600 62.304 -3.704 1 1 1072 . 8 1 1 A 106 106 SER CB C 106 61.250 62.938 -1.688 1 1 1073 . 8 1 1 A 106 106 SER N N 106 121.540 120.690 0.850 1 1 1074 . 8 1 1 A 107 107 LEU H H 107 8.018 7.778 0.240 1 1 1075 . 8 1 1 A 107 107 LEU HA H 107 4.240 4.013 0.227 1 1 1085 . 8 1 1 A 107 107 LEU C C 107 179.420 178.189 1.231 1 1 1086 . 8 1 1 A 107 107 LEU CA C 107 57.590 57.464 0.126 1 1 1087 . 8 1 1 A 107 107 LEU CB C 107 42.360 41.395 0.965 1 1 1088 . 8 1 1 A 107 107 LEU N N 107 121.520 118.821 2.699 1 1 1089 . 8 1 1 A 108 108 ASN H H 108 8.799 7.925 0.874 1 1 1090 . 8 1 1 A 108 108 ASN HA H 108 4.986 5.405 -0.419 1 1 1093 . 8 1 1 A 108 108 ASN C C 108 175.950 175.459 0.491 1 1 1094 . 8 1 1 A 108 108 ASN CA C 108 54.440 52.997 1.443 1 1 1095 . 8 1 1 A 108 108 ASN CB C 108 41.180 38.998 2.182 1 1 1096 . 8 1 1 A 108 108 ASN N N 108 111.800 117.682 -5.882 1 1 1097 . 8 1 1 A 109 109 GLY H H 109 8.025 7.795 0.230 1 1 1098 . 8 1 1 A 109 109 GLY HA2 H 109 4.237 3.573 0.664 1 1 1099 . 8 1 1 A 109 109 GLY HA3 H 109 3.621 3.691 -0.070 1 1 1100 . 8 1 1 A 109 109 GLY C C 109 173.820 174.332 -0.512 1 1 1101 . 8 1 1 A 109 109 GLY CA C 109 44.340 45.628 -1.288 1 1 1102 . 8 1 1 A 109 109 GLY N N 109 110.600 107.832 2.768 1 1 1103 . 8 1 1 A 110 110 THR H H 110 8.770 7.644 1.126 1 1 1104 . 8 1 1 A 110 110 THR HA H 110 4.797 4.380 0.417 1 1 1109 . 8 1 1 A 110 110 THR C C 110 172.570 173.702 -1.132 1 1 1110 . 8 1 1 A 110 110 THR CA C 110 64.540 63.165 1.375 1 1 1111 . 8 1 1 A 110 110 THR CB C 110 70.230 68.932 1.298 1 1 1112 . 8 1 1 A 110 110 THR N N 110 121.240 115.280 5.960 1 1 1113 . 8 1 1 A 111 111 TYR H H 111 8.272 8.910 -0.638 1 1 1114 . 8 1 1 A 111 111 TYR HA H 111 5.155 5.248 -0.093 1 1 1121 . 8 1 1 A 111 111 TYR C C 111 175.860 175.028 0.832 1 1 1122 . 8 1 1 A 111 111 TYR CA C 111 55.820 56.483 -0.663 1 1 1123 . 8 1 1 A 111 111 TYR CB C 111 41.100 42.480 -1.380 1 1 1124 . 8 1 1 A 111 111 TYR N N 111 123.680 124.749 -1.069 1 1 1125 . 8 1 1 A 112 112 VAL H H 112 9.017 9.478 -0.461 1 1 1126 . 8 1 1 A 112 112 VAL HA H 112 4.951 4.804 0.147 1 1 1134 . 8 1 1 A 112 112 VAL C C 112 176.780 176.066 0.714 1 1 1135 . 8 1 1 A 112 112 VAL CA C 112 61.130 61.073 0.057 1 1 1136 . 8 1 1 A 112 112 VAL CB C 112 32.870 33.860 -0.990 1 1 1137 . 8 1 1 A 112 112 VAL N N 112 121.300 123.162 -1.862 1 1 1138 . 8 1 1 A 113 113 ASN H H 113 10.285 10.126 0.159 1 1 1139 . 8 1 1 A 113 113 ASN HA H 113 4.483 4.435 0.048 1 1 1144 . 8 1 1 A 113 113 ASN C C 113 174.590 174.423 0.167 1 1 1145 . 8 1 1 A 113 113 ASN CA C 113 55.160 54.801 0.359 1 1 1146 . 8 1 1 A 113 113 ASN CB C 113 37.240 36.841 0.399 1 1 1147 . 8 1 1 A 113 113 ASN N N 113 129.510 127.231 2.279 1 1 1149 . 8 1 1 A 114 114 ARG H H 114 9.459 8.544 0.915 1 1 1150 . 8 1 1 A 114 114 ARG HA H 114 3.659 3.841 -0.182 1 1 1158 . 8 1 1 A 114 114 ARG C C 114 174.900 175.040 -0.140 1 1 1159 . 8 1 1 A 114 114 ARG CA C 114 58.280 57.790 0.490 1 1 1160 . 8 1 1 A 114 114 ARG CB C 114 27.250 27.654 -0.404 1 1 1161 . 8 1 1 A 114 114 ARG N N 114 106.570 108.869 -2.299 1 1 1163 . 8 1 1 A 115 115 GLU H H 115 7.827 8.062 -0.235 1 1 1164 . 8 1 1 A 115 115 GLU HA H 115 5.153 4.797 0.356 1 1 1169 . 8 1 1 A 115 115 GLU C C 115 173.950 174.346 -0.396 1 1 1170 . 8 1 1 A 115 115 GLU CA C 115 52.990 53.025 -0.035 1 1 1171 . 8 1 1 A 115 115 GLU N N 115 119.780 118.747 1.033 1 1 1172 . 8 1 1 A 116 116 PRO HA H 116 3.983 4.807 -0.824 1 1 1177 . 8 1 1 A 116 116 PRO C C 116 177.780 175.127 2.653 1 1 1178 . 8 1 1 A 116 116 PRO CA C 116 62.910 63.083 -0.173 1 1 1179 . 8 1 1 A 116 116 PRO CB C 116 31.200 32.218 -1.018 1 1 1180 . 8 1 1 A 117 117 ARG H H 117 8.414 8.758 -0.344 1 1 1181 . 8 1 1 A 117 117 ARG HA H 117 4.699 4.550 0.149 1 1 1189 . 8 1 1 A 117 117 ARG C C 117 175.260 175.646 -0.386 1 1 1190 . 8 1 1 A 117 117 ARG CA C 117 52.990 55.226 -2.236 1 1 1191 . 8 1 1 A 117 117 ARG CB C 117 24.560 32.989 -8.429 1 1 1192 . 8 1 1 A 117 117 ARG N N 117 121.900 123.618 -1.718 1 1 1194 . 8 1 1 A 118 118 ASN H H 118 8.741 8.923 -0.182 1 1 1195 . 8 1 1 A 118 118 ASN HA H 118 4.731 4.946 -0.215 1 1 1200 . 8 1 1 A 118 118 ASN C C 118 175.220 174.794 0.426 1 1 1201 . 8 1 1 A 118 118 ASN CA C 118 55.090 54.547 0.543 1 1 1202 . 8 1 1 A 118 118 ASN CB C 118 38.920 40.407 -1.487 1 1 1203 . 8 1 1 A 118 118 ASN N N 118 120.190 123.510 -3.320 1 1 1205 . 8 1 1 A 119 119 ALA H H 119 7.372 7.582 -0.210 1 1 1206 . 8 1 1 A 119 119 ALA HA H 119 5.319 5.050 0.269 1 1 1210 . 8 1 1 A 119 119 ALA C C 119 176.720 174.863 1.857 1 1 1211 . 8 1 1 A 119 119 ALA CA C 119 52.120 51.268 0.852 1 1 1212 . 8 1 1 A 119 119 ALA CB C 119 21.460 22.501 -1.041 1 1 1213 . 8 1 1 A 119 119 ALA N N 119 120.380 118.827 1.553 1 1 1214 . 8 1 1 A 120 120 GLN H H 120 8.787 8.982 -0.195 1 1 1215 . 8 1 1 A 120 120 GLN HA H 120 4.505 4.787 -0.282 1 1 1222 . 8 1 1 A 120 120 GLN C C 120 174.380 173.821 0.559 1 1 1223 . 8 1 1 A 120 120 GLN CA C 120 56.030 54.901 1.129 1 1 1224 . 8 1 1 A 120 120 GLN CB C 120 32.790 32.696 0.094 1 1 1225 . 8 1 1 A 120 120 GLN N N 120 121.180 121.468 -0.288 1 1 1227 . 8 1 1 A 121 121 VAL H H 121 8.692 8.925 -0.233 1 1 1228 . 8 1 1 A 121 121 VAL HA H 121 4.258 4.569 -0.311 1 1 1236 . 8 1 1 A 121 121 VAL C C 121 176.510 174.827 1.683 1 1 1237 . 8 1 1 A 121 121 VAL CA C 121 64.140 61.892 2.248 1 1 1238 . 8 1 1 A 121 121 VAL CB C 121 31.700 32.609 -0.909 1 1 1239 . 8 1 1 A 121 121 VAL N N 121 129.930 126.724 3.206 1 1 1240 . 8 1 1 A 122 122 MET H H 122 8.924 9.433 -0.509 1 1 1241 . 8 1 1 A 122 122 MET HA H 122 4.419 4.705 -0.286 1 1 1249 . 8 1 1 A 122 122 MET C C 122 174.380 175.531 -1.151 1 1 1250 . 8 1 1 A 122 122 MET CA C 122 55.740 54.198 1.542 1 1 1251 . 8 1 1 A 122 122 MET CB C 122 35.140 33.801 1.339 1 1 1252 . 8 1 1 A 122 122 MET N N 122 129.560 127.711 1.849 1 1 1253 . 8 1 1 A 123 123 GLN H H 123 9.002 9.013 -0.011 1 1 1254 . 8 1 1 A 123 123 GLN HA H 123 4.823 5.016 -0.193 1 1 1261 . 8 1 1 A 123 123 GLN C C 123 175.530 174.632 0.898 1 1 1262 . 8 1 1 A 123 123 GLN CA C 123 53.570 53.847 -0.277 1 1 1263 . 8 1 1 A 123 123 GLN CB C 123 32.290 32.480 -0.190 1 1 1264 . 8 1 1 A 123 123 GLN N N 123 119.810 123.109 -3.299 1 1 1266 . 8 1 1 A 124 124 THR H H 124 9.036 8.594 0.442 1 1 1267 . 8 1 1 A 124 124 THR HA H 124 4.208 4.273 -0.065 1 1 1272 . 8 1 1 A 124 124 THR C C 124 175.300 175.711 -0.411 1 1 1273 . 8 1 1 A 124 124 THR CA C 124 65.510 63.850 1.660 1 1 1274 . 8 1 1 A 124 124 THR CB C 124 69.560 68.675 0.885 1 1 1275 . 8 1 1 A 124 124 THR N N 124 119.570 117.456 2.114 1 1 1276 . 8 1 1 A 125 125 GLY H H 125 9.921 9.342 0.579 1 1 1277 . 8 1 1 A 125 125 GLY HA2 H 125 4.552 4.025 0.527 1 1 1278 . 8 1 1 A 125 125 GLY HA3 H 125 3.480 4.031 -0.551 1 1 1279 . 8 1 1 A 125 125 GLY C C 125 174.650 174.012 0.638 1 1 1280 . 8 1 1 A 125 125 GLY CA C 125 44.710 44.933 -0.223 1 1 1281 . 8 1 1 A 125 125 GLY N N 125 117.920 117.318 0.602 1 1 1282 . 8 1 1 A 126 126 ASP H H 126 8.638 7.893 0.745 1 1 1283 . 8 1 1 A 126 126 ASP HA H 126 4.876 4.799 0.077 1 1 1286 . 8 1 1 A 126 126 ASP C C 126 174.650 175.635 -0.985 1 1 1287 . 8 1 1 A 126 126 ASP CA C 126 56.140 54.077 2.063 1 1 1288 . 8 1 1 A 126 126 ASP CB C 126 41.690 41.867 -0.177 1 1 1289 . 8 1 1 A 126 126 ASP N N 126 123.190 121.453 1.737 1 1 1290 . 8 1 1 A 127 127 GLU H H 127 8.316 9.114 -0.798 1 1 1291 . 8 1 1 A 127 127 GLU HA H 127 5.341 5.207 0.134 1 1 1296 . 8 1 1 A 127 127 GLU C C 127 175.990 175.217 0.773 1 1 1297 . 8 1 1 A 127 127 GLU CA C 127 54.440 55.020 -0.580 1 1 1298 . 8 1 1 A 127 127 GLU CB C 127 32.790 32.321 0.469 1 1 1299 . 8 1 1 A 127 127 GLU N N 127 118.480 120.568 -2.088 1 1 1300 . 8 1 1 A 128 128 ILE H H 128 9.910 9.424 0.486 1 1 1301 . 8 1 1 A 128 128 ILE HA H 128 5.334 4.869 0.465 1 1 1311 . 8 1 1 A 128 128 ILE C C 128 174.700 174.265 0.435 1 1 1312 . 8 1 1 A 128 128 ILE CA C 128 59.470 60.527 -1.057 1 1 1313 . 8 1 1 A 128 128 ILE CB C 128 40.600 39.905 0.695 1 1 1314 . 8 1 1 A 128 128 ILE N N 128 128.810 125.563 3.247 1 1 1315 . 8 1 1 A 129 129 GLN H H 129 9.502 9.668 -0.166 1 1 1316 . 8 1 1 A 129 129 GLN HA H 129 5.406 4.962 0.444 1 1 1323 . 8 1 1 A 129 129 GLN C C 129 174.950 174.722 0.228 1 1 1324 . 8 1 1 A 129 129 GLN CA C 129 54.800 54.439 0.361 1 1 1325 . 8 1 1 A 129 129 GLN CB C 129 30.690 31.392 -0.702 1 1 1326 . 8 1 1 A 129 129 GLN N N 129 129.270 128.640 0.630 1 1 1328 . 8 1 1 A 130 130 ILE H H 130 8.498 8.987 -0.489 1 1 1329 . 8 1 1 A 130 130 ILE HA H 130 4.116 4.326 -0.210 1 1 1339 . 8 1 1 A 130 130 ILE C C 130 174.860 175.817 -0.957 1 1 1340 . 8 1 1 A 130 130 ILE CA C 130 60.740 59.866 0.874 1 1 1341 . 8 1 1 A 130 130 ILE CB C 130 41.440 38.155 3.285 1 1 1342 . 8 1 1 A 130 130 ILE N N 130 129.070 127.773 1.297 1 1 1343 . 8 1 1 A 131 131 GLY H H 131 9.924 8.723 1.201 1 1 1344 . 8 1 1 A 131 131 GLY HA2 H 131 3.768 2.836 0.932 1 1 1345 . 8 1 1 A 131 131 GLY HA3 H 131 3.337 3.262 0.075 1 1 1346 . 8 1 1 A 131 131 GLY C C 131 174.590 174.335 0.255 1 1 1347 . 8 1 1 A 131 131 GLY CA C 131 46.700 46.729 -0.029 1 1 1348 . 8 1 1 A 131 131 GLY N N 131 116.470 117.752 -1.282 1 1 1349 . 8 1 1 A 132 132 LYS H H 132 7.141 8.172 -1.031 1 1 1350 . 8 1 1 A 132 132 LYS HA H 132 3.750 4.503 -0.753 1 1 1357 . 8 1 1 A 132 132 LYS C C 132 175.820 175.428 0.392 1 1 1358 . 8 1 1 A 132 132 LYS CA C 132 57.550 56.284 1.266 1 1 1359 . 8 1 1 A 132 132 LYS CB C 132 33.300 34.861 -1.561 1 1 1360 . 8 1 1 A 132 132 LYS N N 132 122.960 122.731 0.229 1 1 1361 . 8 1 1 A 133 133 PHE H H 133 8.360 7.284 1.076 1 1 1362 . 8 1 1 A 133 133 PHE HA H 133 4.601 5.495 -0.894 1 1 1370 . 8 1 1 A 133 133 PHE C C 133 174.910 173.712 1.198 1 1 1371 . 8 1 1 A 133 133 PHE CA C 133 58.600 54.803 3.797 1 1 1372 . 8 1 1 A 133 133 PHE CB C 133 40.510 42.621 -2.111 1 1 1373 . 8 1 1 A 133 133 PHE N N 133 118.170 115.276 2.894 1 1 1374 . 8 1 1 A 134 134 ARG H H 134 8.698 9.030 -0.332 1 1 1375 . 8 1 1 A 134 134 ARG HA H 134 5.212 5.286 -0.074 1 1 1383 . 8 1 1 A 134 134 ARG C C 134 175.150 174.970 0.180 1 1 1384 . 8 1 1 A 134 134 ARG CA C 134 55.060 54.758 0.302 1 1 1385 . 8 1 1 A 134 134 ARG CB C 134 33.550 33.419 0.131 1 1 1386 . 8 1 1 A 134 134 ARG N N 134 120.770 118.870 1.900 1 1 1388 . 8 1 1 A 135 135 LEU H H 135 9.904 9.476 0.428 1 1 1389 . 8 1 1 A 135 135 LEU HA H 135 5.544 5.399 0.145 1 1 1399 . 8 1 1 A 135 135 LEU C C 135 175.260 175.605 -0.345 1 1 1400 . 8 1 1 A 135 135 LEU CA C 135 53.930 53.552 0.378 1 1 1401 . 8 1 1 A 135 135 LEU CB C 135 45.550 45.326 0.224 1 1 1402 . 8 1 1 A 135 135 LEU N N 135 127.130 124.505 2.625 1 1 1403 . 8 1 1 A 136 136 VAL H H 136 9.350 9.388 -0.038 1 1 1404 . 8 1 1 A 136 136 VAL HA H 136 5.226 4.803 0.423 1 1 1412 . 8 1 1 A 136 136 VAL C C 136 174.050 174.049 0.001 1 1 1413 . 8 1 1 A 136 136 VAL CA C 136 60.520 60.215 0.305 1 1 1414 . 8 1 1 A 136 136 VAL CB C 136 34.890 34.065 0.825 1 1 1415 . 8 1 1 A 136 136 VAL N N 136 121.300 122.945 -1.645 1 1 1416 . 8 1 1 A 137 137 PHE H H 137 8.492 9.121 -0.629 1 1 1417 . 8 1 1 A 137 137 PHE HA H 137 5.007 5.003 0.004 1 1 1424 . 8 1 1 A 137 137 PHE C C 137 173.340 173.761 -0.421 1 1 1425 . 8 1 1 A 137 137 PHE CA C 137 57.010 56.319 0.691 1 1 1426 . 8 1 1 A 137 137 PHE CB C 137 41.770 40.573 1.197 1 1 1427 . 8 1 1 A 137 137 PHE N N 137 127.550 128.369 -0.819 1 1 1428 . 8 1 1 A 138 138 LEU H H 138 8.535 9.093 -0.558 1 1 1429 . 8 1 1 A 138 138 LEU HA H 138 4.345 4.888 -0.543 1 1 1439 . 8 1 1 A 138 138 LEU C C 138 173.390 174.722 -1.332 1 1 1440 . 8 1 1 A 138 138 LEU CA C 138 53.680 53.277 0.403 1 1 1441 . 8 1 1 A 138 138 LEU CB C 138 45.210 44.597 0.613 1 1 1442 . 8 1 1 A 138 138 LEU N N 138 128.590 127.939 0.651 1 1 1443 . 8 1 1 A 139 139 ALA H H 139 7.502 8.890 -1.388 1 1 1444 . 8 1 1 A 139 139 ALA HA H 139 3.952 4.488 -0.536 1 1 1448 . 8 1 1 A 139 139 ALA C C 139 178.010 177.058 0.952 1 1 1449 . 8 1 1 A 139 139 ALA CA C 139 51.650 51.430 0.220 1 1 1450 . 8 1 1 A 139 139 ALA CB C 139 20.700 19.938 0.762 1 1 1451 . 8 1 1 A 139 139 ALA N N 139 123.250 127.895 -4.645 1 1 1452 . 8 1 1 A 140 140 GLY H H 140 7.968 7.672 0.296 1 1 1453 . 8 1 1 A 140 140 GLY HA2 H 140 4.202 4.075 0.127 1 1 1454 . 8 1 1 A 140 140 GLY HA3 H 140 3.595 4.097 -0.502 1 1 1455 . 8 1 1 A 140 140 GLY C C 140 171.240 170.984 0.256 1 1 1456 . 8 1 1 A 140 140 GLY CA C 140 44.710 45.051 -0.341 1 1 1457 . 8 1 1 A 140 140 GLY N N 140 108.040 108.115 -0.075 1 1 1458 . 8 1 1 A 141 141 PRO HA H 141 4.460 4.761 -0.301 1 1 1463 . 8 1 1 A 141 141 PRO C C 141 176.150 176.699 -0.549 1 1 1464 . 8 1 1 A 141 141 PRO CA C 141 63.230 62.773 0.457 1 1 1465 . 8 1 1 A 141 141 PRO CB C 141 32.370 32.181 0.189 1 1 1466 . 8 1 1 A 142 142 ALA H H 142 8.496 7.968 0.528 1 1 1467 . 8 1 1 A 142 142 ALA HA H 142 4.363 4.549 -0.186 1 1 1471 . 8 1 1 A 142 142 ALA C C 142 177.320 176.796 0.524 1 1 1472 . 8 1 1 A 142 142 ALA CA C 142 52.740 51.310 1.430 1 1 1473 . 8 1 1 A 142 142 ALA CB C 142 19.780 19.593 0.187 1 1 1474 . 8 1 1 A 142 142 ALA N N 142 124.080 123.487 0.593 1 1 4 . 9 1 1 A 2 2 SER H H 2 8.404 8.325 0.079 1 1 5 . 9 1 1 A 2 2 SER HA H 2 4.430 4.889 -0.459 1 1 8 . 9 1 1 A 2 2 SER C C 2 174.220 172.230 1.990 1 1 9 . 9 1 1 A 2 2 SER CA C 2 58.650 57.912 0.738 1 1 10 . 9 1 1 A 2 2 SER CB C 2 64.280 63.901 0.379 1 1 11 . 9 1 1 A 2 2 SER N N 2 116.880 116.205 0.675 1 1 12 . 9 1 1 A 3 3 ASP H H 3 8.314 9.044 -0.730 1 1 13 . 9 1 1 A 3 3 ASP HA H 3 4.594 4.730 -0.136 1 1 16 . 9 1 1 A 3 3 ASP C C 3 176.070 174.482 1.588 1 1 17 . 9 1 1 A 3 3 ASP CA C 3 54.580 53.208 1.372 1 1 18 . 9 1 1 A 3 3 ASP CB C 3 41.530 39.148 2.382 1 1 19 . 9 1 1 A 3 3 ASP N N 3 122.210 127.691 -5.481 1 1 20 . 9 1 1 A 4 4 ASN H H 4 8.326 7.707 0.619 1 1 21 . 9 1 1 A 4 4 ASN HA H 4 4.748 5.337 -0.589 1 1 24 . 9 1 1 A 4 4 ASN C C 4 175.130 173.961 1.169 1 1 25 . 9 1 1 A 4 4 ASN CA C 4 53.430 52.129 1.301 1 1 26 . 9 1 1 A 4 4 ASN CB C 4 38.920 43.079 -4.159 1 1 27 . 9 1 1 A 4 4 ASN N N 4 118.670 122.004 -3.334 1 1 28 . 9 1 1 A 5 5 ASN H H 5 8.467 8.810 -0.343 1 1 29 . 9 1 1 A 5 5 ASN HA H 5 4.702 4.768 -0.066 1 1 32 . 9 1 1 A 5 5 ASN C C 5 175.700 175.362 0.338 1 1 33 . 9 1 1 A 5 5 ASN CA C 5 53.610 52.665 0.945 1 1 34 . 9 1 1 A 5 5 ASN CB C 5 39.090 37.235 1.855 1 1 35 . 9 1 1 A 5 5 ASN N N 5 119.070 119.798 -0.728 1 1 36 . 9 1 1 A 6 6 GLY H H 6 8.333 8.218 0.115 1 1 37 . 9 1 1 A 6 6 GLY HA2 H 6 3.960 4.037 -0.077 1 1 38 . 9 1 1 A 6 6 GLY HA3 H 6 3.960 4.038 -0.078 1 1 39 . 9 1 1 A 6 6 GLY C C 6 174.050 173.053 0.997 1 1 40 . 9 1 1 A 6 6 GLY CA C 6 45.390 46.131 -0.741 1 1 41 . 9 1 1 A 6 6 GLY N N 6 109.000 112.348 -3.348 1 1 42 . 9 1 1 A 7 7 THR H H 7 8.076 8.313 -0.237 1 1 43 . 9 1 1 A 7 7 THR HA H 7 4.591 4.717 -0.126 1 1 48 . 9 1 1 A 7 7 THR C C 7 172.840 173.538 -0.698 1 1 49 . 9 1 1 A 7 7 THR CA C 7 60.050 59.283 0.767 1 1 50 . 9 1 1 A 7 7 THR N N 7 116.910 113.323 3.587 1 1 51 . 9 1 1 A 8 8 PRO HA H 8 4.414 4.929 -0.515 1 1 54 . 9 1 1 A 8 8 PRO C C 8 176.690 176.200 0.490 1 1 55 . 9 1 1 A 8 8 PRO CA C 8 63.090 62.272 0.818 1 1 56 . 9 1 1 A 8 8 PRO CB C 8 32.290 32.129 0.161 1 1 57 . 9 1 1 A 9 9 GLU H H 9 8.467 8.517 -0.050 1 1 58 . 9 1 1 A 9 9 GLU HA H 9 4.527 4.880 -0.353 1 1 63 . 9 1 1 A 9 9 GLU C C 9 174.680 174.150 0.530 1 1 64 . 9 1 1 A 9 9 GLU CA C 9 54.550 52.504 2.046 1 1 65 . 9 1 1 A 9 9 GLU N N 9 122.910 121.013 1.897 1 1 66 . 9 1 1 A 10 10 PRO HA H 10 4.371 4.492 -0.121 1 1 71 . 9 1 1 A 10 10 PRO C C 10 176.820 176.940 -0.120 1 1 72 . 9 1 1 A 10 10 PRO CA C 10 63.300 63.300 0.000 1 1 73 . 9 1 1 A 10 10 PRO CB C 10 32.290 31.874 0.416 1 1 74 . 9 1 1 A 11 11 GLN H H 11 8.543 8.551 -0.008 1 1 75 . 9 1 1 A 11 11 GLN HA H 11 4.334 4.764 -0.430 1 1 82 . 9 1 1 A 11 11 GLN C C 11 176.010 175.203 0.807 1 1 83 . 9 1 1 A 11 11 GLN CA C 11 55.710 55.777 -0.067 1 1 84 . 9 1 1 A 11 11 GLN CB C 11 29.520 30.273 -0.753 1 1 85 . 9 1 1 A 11 11 GLN N N 11 121.100 121.979 -0.879 1 1 87 . 9 1 1 A 12 12 VAL H H 12 8.201 8.799 -0.598 1 1 88 . 9 1 1 A 12 12 VAL HA H 12 4.144 4.653 -0.509 1 1 96 . 9 1 1 A 12 12 VAL C C 12 175.940 175.471 0.469 1 1 97 . 9 1 1 A 12 12 VAL CA C 12 62.110 61.691 0.419 1 1 98 . 9 1 1 A 12 12 VAL CB C 12 32.800 32.808 -0.008 1 1 99 . 9 1 1 A 12 12 VAL N N 12 122.070 124.741 -2.671 1 1 100 . 9 1 1 A 13 13 GLU H H 13 8.593 8.814 -0.221 1 1 101 . 9 1 1 A 13 13 GLU HA H 13 4.329 4.919 -0.590 1 1 106 . 9 1 1 A 13 13 GLU C C 13 176.720 175.475 1.245 1 1 107 . 9 1 1 A 13 13 GLU CA C 13 56.830 54.567 2.263 1 1 108 . 9 1 1 A 13 13 GLU CB C 13 30.860 33.224 -2.364 1 1 109 . 9 1 1 A 13 13 GLU N N 13 124.660 127.133 -2.473 1 1 138 . 9 1 1 A 17 17 VAL H H 17 8.458 8.583 -0.125 1 1 139 . 9 1 1 A 17 17 VAL HA H 17 4.183 4.276 -0.093 1 1 147 . 9 1 1 A 17 17 VAL C C 17 175.950 175.406 0.544 1 1 148 . 9 1 1 A 17 17 VAL CA C 17 63.780 62.595 1.185 1 1 149 . 9 1 1 A 17 17 VAL CB C 17 32.460 31.999 0.461 1 1 150 . 9 1 1 A 17 17 VAL N N 17 124.860 124.603 0.257 1 1 151 . 9 1 1 A 18 18 PHE H H 18 8.579 8.867 -0.288 1 1 152 . 9 1 1 A 18 18 PHE HA H 18 4.650 5.257 -0.607 1 1 160 . 9 1 1 A 18 18 PHE C C 18 173.450 174.978 -1.528 1 1 161 . 9 1 1 A 18 18 PHE CA C 18 57.480 56.034 1.446 1 1 162 . 9 1 1 A 18 18 PHE CB C 18 41.950 40.484 1.466 1 1 163 . 9 1 1 A 18 18 PHE N N 18 127.160 124.753 2.407 1 1 164 . 9 1 1 A 19 19 ARG H H 19 7.920 8.960 -1.040 1 1 165 . 9 1 1 A 19 19 ARG HA H 19 4.196 5.173 -0.977 1 1 170 . 9 1 1 A 19 19 ARG C C 19 174.930 175.157 -0.227 1 1 171 . 9 1 1 A 19 19 ARG CA C 19 54.800 54.569 0.231 1 1 172 . 9 1 1 A 19 19 ARG CB C 19 30.610 32.863 -2.253 1 1 173 . 9 1 1 A 19 19 ARG N N 19 127.500 123.530 3.970 1 1 174 . 9 1 1 A 20 20 ALA H H 20 8.067 8.620 -0.553 1 1 175 . 9 1 1 A 20 20 ALA HA H 20 3.729 4.422 -0.693 1 1 179 . 9 1 1 A 20 20 ALA C C 20 177.630 178.224 -0.594 1 1 180 . 9 1 1 A 20 20 ALA CA C 20 53.280 53.231 0.049 1 1 181 . 9 1 1 A 20 20 ALA CB C 20 18.860 20.927 -2.067 1 1 182 . 9 1 1 A 20 20 ALA N N 20 126.460 123.499 2.961 1 1 183 . 9 1 1 A 21 21 ASP H H 21 8.355 8.537 -0.182 1 1 184 . 9 1 1 A 21 21 ASP HA H 21 4.350 4.353 -0.003 1 1 187 . 9 1 1 A 21 21 ASP C C 21 176.720 178.838 -2.118 1 1 188 . 9 1 1 A 21 21 ASP CA C 21 54.480 56.998 -2.518 1 1 189 . 9 1 1 A 21 21 ASP CB C 21 40.350 40.375 -0.025 1 1 190 . 9 1 1 A 21 21 ASP N N 21 117.850 119.068 -1.218 1 1 191 . 9 1 1 A 22 22 LEU H H 22 7.705 7.749 -0.044 1 1 192 . 9 1 1 A 22 22 LEU HA H 22 4.088 3.843 0.245 1 1 202 . 9 1 1 A 22 22 LEU C C 22 177.760 179.490 -1.730 1 1 203 . 9 1 1 A 22 22 LEU CA C 22 55.780 58.115 -2.335 1 1 204 . 9 1 1 A 22 22 LEU CB C 22 41.860 41.467 0.393 1 1 205 . 9 1 1 A 22 22 LEU N N 22 121.600 119.556 2.044 1 1 206 . 9 1 1 A 23 23 LEU H H 23 7.717 7.607 0.110 1 1 207 . 9 1 1 A 23 23 LEU HA H 23 4.166 4.120 0.046 1 1 217 . 9 1 1 A 23 23 LEU C C 23 177.840 178.209 -0.369 1 1 218 . 9 1 1 A 23 23 LEU CA C 23 55.960 57.124 -1.164 1 1 219 . 9 1 1 A 23 23 LEU CB C 23 41.950 42.279 -0.329 1 1 220 . 9 1 1 A 23 23 LEU N N 23 120.360 120.219 0.141 1 1 221 . 9 1 1 A 24 24 LYS H H 24 7.933 8.181 -0.248 1 1 222 . 9 1 1 A 24 24 LYS HA H 24 4.174 3.924 0.250 1 1 229 . 9 1 1 A 24 24 LYS C C 24 177.190 178.323 -1.133 1 1 230 . 9 1 1 A 24 24 LYS CA C 24 57.050 59.757 -2.707 1 1 231 . 9 1 1 A 24 24 LYS CB C 24 32.880 32.579 0.301 1 1 232 . 9 1 1 A 24 24 LYS N N 24 121.120 119.349 1.771 1 1 233 . 9 1 1 A 25 25 GLU H H 25 8.160 8.482 -0.322 1 1 234 . 9 1 1 A 25 25 GLU HA H 25 4.199 4.096 0.103 1 1 239 . 9 1 1 A 25 25 GLU C C 25 176.900 178.639 -1.739 1 1 240 . 9 1 1 A 25 25 GLU CA C 25 57.010 59.235 -2.225 1 1 241 . 9 1 1 A 25 25 GLU CB C 25 30.280 29.175 1.105 1 1 242 . 9 1 1 A 25 25 GLU N N 25 121.550 119.001 2.549 1 1 243 . 9 1 1 A 26 26 MET H H 26 8.270 8.162 0.108 1 1 244 . 9 1 1 A 26 26 MET HA H 26 4.360 4.386 -0.026 1 1 252 . 9 1 1 A 26 26 MET C C 26 176.440 178.091 -1.651 1 1 253 . 9 1 1 A 26 26 MET CA C 26 56.180 58.318 -2.138 1 1 254 . 9 1 1 A 26 26 MET CB C 26 33.050 31.956 1.094 1 1 255 . 9 1 1 A 26 26 MET N N 26 120.730 119.084 1.646 1 1 256 . 9 1 1 A 27 27 GLU H H 27 8.297 8.648 -0.351 1 1 257 . 9 1 1 A 27 27 GLU HA H 27 4.264 4.067 0.197 1 1 262 . 9 1 1 A 27 27 GLU C C 27 176.650 178.402 -1.752 1 1 263 . 9 1 1 A 27 27 GLU CA C 27 56.830 59.226 -2.396 1 1 264 . 9 1 1 A 27 27 GLU CB C 27 30.530 29.557 0.973 1 1 265 . 9 1 1 A 27 27 GLU N N 27 121.650 119.928 1.722 1 1 266 . 9 1 1 A 28 28 SER H H 28 8.279 7.945 0.334 1 1 267 . 9 1 1 A 28 28 SER HA H 28 4.473 4.529 -0.056 1 1 270 . 9 1 1 A 28 28 SER C C 28 174.760 176.327 -1.567 1 1 271 . 9 1 1 A 28 28 SER CA C 28 58.460 60.439 -1.979 1 1 272 . 9 1 1 A 28 28 SER CB C 28 64.190 63.608 0.582 1 1 273 . 9 1 1 A 28 28 SER N N 28 116.610 114.953 1.657 1 1 274 . 9 1 1 A 29 29 SER H H 29 8.443 8.048 0.395 1 1 275 . 9 1 1 A 29 29 SER HA H 29 4.541 4.386 0.155 1 1 278 . 9 1 1 A 29 29 SER C C 29 174.950 174.880 0.070 1 1 279 . 9 1 1 A 29 29 SER CA C 29 58.530 59.932 -1.402 1 1 280 . 9 1 1 A 29 29 SER CB C 29 64.190 63.332 0.858 1 1 281 . 9 1 1 A 29 29 SER N N 29 118.290 114.425 3.865 1 1 282 . 9 1 1 A 30 30 THR H H 30 8.220 7.362 0.858 1 1 283 . 9 1 1 A 30 30 THR HA H 30 4.372 4.042 0.330 1 1 288 . 9 1 1 A 30 30 THR C C 30 175.280 175.441 -0.161 1 1 289 . 9 1 1 A 30 30 THR CA C 30 62.260 64.802 -2.542 1 1 290 . 9 1 1 A 30 30 THR CB C 30 69.900 68.177 1.723 1 1 291 . 9 1 1 A 30 30 THR N N 30 115.600 118.022 -2.422 1 1 292 . 9 1 1 A 31 31 GLY H H 31 8.401 8.445 -0.044 1 1 293 . 9 1 1 A 31 31 GLY HA2 H 31 4.005 4.111 -0.106 1 1 294 . 9 1 1 A 31 31 GLY HA3 H 31 4.005 4.111 -0.106 1 1 295 . 9 1 1 A 31 31 GLY C C 31 174.160 173.540 0.620 1 1 296 . 9 1 1 A 31 31 GLY CA C 31 45.470 45.725 -0.255 1 1 297 . 9 1 1 A 31 31 GLY N N 31 111.270 114.086 -2.816 1 1 298 . 9 1 1 A 32 32 THR H H 32 8.034 8.124 -0.090 1 1 299 . 9 1 1 A 32 32 THR HA H 32 4.319 4.931 -0.612 1 1 304 . 9 1 1 A 32 32 THR C C 32 174.130 174.008 0.122 1 1 305 . 9 1 1 A 32 32 THR CA C 32 61.710 59.497 2.213 1 1 306 . 9 1 1 A 32 32 THR CB C 32 70.150 71.390 -1.240 1 1 307 . 9 1 1 A 32 32 THR N N 32 113.770 112.081 1.689 1 1 308 . 9 1 1 A 33 33 ALA H H 33 8.410 8.765 -0.355 1 1 309 . 9 1 1 A 33 33 ALA HA H 33 4.581 4.901 -0.320 1 1 313 . 9 1 1 A 33 33 ALA C C 33 175.490 175.205 0.285 1 1 314 . 9 1 1 A 33 33 ALA CA C 33 50.680 49.859 0.821 1 1 315 . 9 1 1 A 33 33 ALA N N 33 128.320 125.145 3.175 1 1 316 . 9 1 1 A 34 34 PRO HA H 34 4.389 4.589 -0.200 1 1 321 . 9 1 1 A 34 34 PRO C C 34 176.650 176.274 0.376 1 1 322 . 9 1 1 A 34 34 PRO CA C 34 63.090 62.501 0.589 1 1 323 . 9 1 1 A 34 34 PRO CB C 34 32.210 32.121 0.089 1 1 324 . 9 1 1 A 35 35 ALA H H 35 8.433 8.326 0.107 1 1 325 . 9 1 1 A 35 35 ALA HA H 35 4.275 4.794 -0.519 1 1 329 . 9 1 1 A 35 35 ALA C C 35 177.730 176.410 1.320 1 1 330 . 9 1 1 A 35 35 ALA CA C 35 52.590 51.046 1.544 1 1 331 . 9 1 1 A 35 35 ALA CB C 35 19.450 20.739 -1.289 1 1 332 . 9 1 1 A 35 35 ALA N N 35 124.330 124.013 0.317 1 1 333 . 9 1 1 A 36 36 SER H H 36 8.259 8.670 -0.411 1 1 334 . 9 1 1 A 36 36 SER HA H 36 4.474 4.884 -0.410 1 1 337 . 9 1 1 A 36 36 SER C C 36 174.860 174.185 0.675 1 1 338 . 9 1 1 A 36 36 SER CA C 36 58.130 57.318 0.812 1 1 339 . 9 1 1 A 36 36 SER CB C 36 64.190 63.075 1.115 1 1 340 . 9 1 1 A 36 36 SER N N 36 114.560 115.282 -0.722 1 1 341 . 9 1 1 A 37 37 THR H H 37 8.325 8.124 0.201 1 1 342 . 9 1 1 A 37 37 THR HA H 37 4.281 4.653 -0.372 1 1 346 . 9 1 1 A 37 37 THR C C 37 175.110 175.868 -0.758 1 1 347 . 9 1 1 A 37 37 THR CA C 37 62.260 60.874 1.386 1 1 348 . 9 1 1 A 37 37 THR CB C 37 70.150 71.138 -0.988 1 1 349 . 9 1 1 A 37 37 THR N N 37 115.300 116.505 -1.205 1 1 350 . 9 1 1 A 38 38 GLY H H 38 8.511 8.735 -0.224 1 1 351 . 9 1 1 A 38 38 GLY HA2 H 38 3.975 3.928 0.047 1 1 352 . 9 1 1 A 38 38 GLY HA3 H 38 3.809 3.932 -0.123 1 1 353 . 9 1 1 A 38 38 GLY C C 38 174.470 175.081 -0.611 1 1 354 . 9 1 1 A 38 38 GLY CA C 38 45.470 45.866 -0.396 1 1 355 . 9 1 1 A 38 38 GLY N N 38 110.440 109.482 0.958 1 1 356 . 9 1 1 A 39 39 ALA H H 39 8.245 7.881 0.364 1 1 357 . 9 1 1 A 39 39 ALA HA H 39 4.164 4.075 0.089 1 1 361 . 9 1 1 A 39 39 ALA C C 39 177.590 179.416 -1.826 1 1 362 . 9 1 1 A 39 39 ALA CA C 39 52.560 54.343 -1.783 1 1 363 . 9 1 1 A 39 39 ALA CB C 39 19.360 18.630 0.730 1 1 364 . 9 1 1 A 39 39 ALA N N 39 124.080 122.439 1.641 1 1 365 . 9 1 1 A 40 40 GLU H H 40 8.721 8.299 0.422 1 1 366 . 9 1 1 A 40 40 GLU HA H 40 4.083 4.238 -0.155 1 1 371 . 9 1 1 A 40 40 GLU C C 40 176.320 177.704 -1.384 1 1 372 . 9 1 1 A 40 40 GLU CA C 40 57.910 57.900 0.010 1 1 373 . 9 1 1 A 40 40 GLU CB C 40 29.520 28.495 1.025 1 1 374 . 9 1 1 A 40 40 GLU N N 40 118.270 116.657 1.613 1 1 375 . 9 1 1 A 41 41 ASN H H 41 8.226 7.557 0.669 1 1 376 . 9 1 1 A 41 41 ASN HA H 41 4.716 4.870 -0.154 1 1 381 . 9 1 1 A 41 41 ASN C C 41 174.800 175.004 -0.204 1 1 382 . 9 1 1 A 41 41 ASN CA C 41 52.880 52.814 0.066 1 1 383 . 9 1 1 A 41 41 ASN CB C 41 38.840 39.121 -0.281 1 1 384 . 9 1 1 A 41 41 ASN N N 41 117.620 118.753 -1.133 1 1 386 . 9 1 1 A 42 42 LEU H H 42 7.629 7.965 -0.336 1 1 387 . 9 1 1 A 42 42 LEU HA H 42 4.418 4.046 0.372 1 1 397 . 9 1 1 A 42 42 LEU C C 42 174.610 176.855 -2.245 1 1 398 . 9 1 1 A 42 42 LEU CA C 42 53.170 55.628 -2.458 1 1 399 . 9 1 1 A 42 42 LEU N N 42 123.010 118.516 4.494 1 1 400 . 9 1 1 A 43 43 PRO HA H 43 4.366 4.305 0.061 1 1 407 . 9 1 1 A 43 43 PRO C C 43 177.050 178.704 -1.654 1 1 408 . 9 1 1 A 43 43 PRO CA C 43 62.260 66.280 -4.020 1 1 409 . 9 1 1 A 43 43 PRO CB C 43 32.380 31.209 1.171 1 1 410 . 9 1 1 A 44 44 ALA H H 44 8.552 7.700 0.852 1 1 411 . 9 1 1 A 44 44 ALA HA H 44 4.223 4.307 -0.084 1 1 415 . 9 1 1 A 44 44 ALA C C 44 179.500 178.093 1.407 1 1 416 . 9 1 1 A 44 44 ALA CA C 44 53.250 52.304 0.946 1 1 417 . 9 1 1 A 44 44 ALA CB C 44 18.190 19.927 -1.737 1 1 418 . 9 1 1 A 44 44 ALA N N 44 125.070 118.431 6.639 1 1 419 . 9 1 1 A 45 45 GLY H H 45 8.897 8.747 0.150 1 1 420 . 9 1 1 A 45 45 GLY HA2 H 45 4.214 3.958 0.256 1 1 421 . 9 1 1 A 45 45 GLY HA3 H 45 3.833 3.977 -0.144 1 1 422 . 9 1 1 A 45 45 GLY C C 45 173.720 173.699 0.021 1 1 423 . 9 1 1 A 45 45 GLY CA C 45 45.790 45.352 0.438 1 1 424 . 9 1 1 A 45 45 GLY N N 45 110.600 108.177 2.423 1 1 425 . 9 1 1 A 46 46 SER H H 46 7.690 7.942 -0.252 1 1 426 . 9 1 1 A 46 46 SER HA H 46 5.338 5.158 0.180 1 1 429 . 9 1 1 A 46 46 SER C C 46 172.990 172.954 0.036 1 1 430 . 9 1 1 A 46 46 SER CA C 46 57.810 57.668 0.142 1 1 431 . 9 1 1 A 46 46 SER CB C 46 66.960 66.430 0.530 1 1 432 . 9 1 1 A 46 46 SER N N 46 114.180 117.676 -3.496 1 1 433 . 9 1 1 A 47 47 ALA H H 47 8.435 8.637 -0.202 1 1 434 . 9 1 1 A 47 47 ALA HA H 47 4.338 4.922 -0.584 1 1 438 . 9 1 1 A 47 47 ALA C C 47 173.840 175.634 -1.794 1 1 439 . 9 1 1 A 47 47 ALA CA C 47 51.690 50.457 1.233 1 1 440 . 9 1 1 A 47 47 ALA CB C 47 24.570 22.765 1.805 1 1 441 . 9 1 1 A 47 47 ALA N N 47 120.900 123.724 -2.824 1 1 442 . 9 1 1 A 48 48 LEU H H 48 8.673 8.554 0.119 1 1 443 . 9 1 1 A 48 48 LEU HA H 48 5.021 5.180 -0.159 1 1 453 . 9 1 1 A 48 48 LEU C C 48 174.680 175.546 -0.866 1 1 454 . 9 1 1 A 48 48 LEU CA C 48 53.350 52.540 0.810 1 1 455 . 9 1 1 A 48 48 LEU CB C 48 48.150 45.503 2.647 1 1 456 . 9 1 1 A 48 48 LEU N N 48 120.170 115.423 4.747 1 1 457 . 9 1 1 A 49 49 LEU H H 49 8.686 9.328 -0.642 1 1 458 . 9 1 1 A 49 49 LEU HA H 49 5.403 5.289 0.114 1 1 468 . 9 1 1 A 49 49 LEU C C 49 176.170 175.002 1.168 1 1 469 . 9 1 1 A 49 49 LEU CA C 49 52.810 52.842 -0.032 1 1 470 . 9 1 1 A 49 49 LEU CB C 49 46.310 44.780 1.530 1 1 471 . 9 1 1 A 49 49 LEU N N 49 120.170 121.009 -0.839 1 1 472 . 9 1 1 A 50 50 VAL H H 50 8.874 9.360 -0.486 1 1 473 . 9 1 1 A 50 50 VAL HA H 50 4.971 5.014 -0.043 1 1 481 . 9 1 1 A 50 50 VAL C C 50 176.740 174.353 2.387 1 1 482 . 9 1 1 A 50 50 VAL CA C 50 59.940 59.898 0.042 1 1 483 . 9 1 1 A 50 50 VAL CB C 50 34.970 34.176 0.794 1 1 484 . 9 1 1 A 50 50 VAL N N 50 120.580 121.804 -1.224 1 1 485 . 9 1 1 A 51 51 VAL H H 51 8.984 9.042 -0.058 1 1 486 . 9 1 1 A 51 51 VAL HA H 51 4.155 4.045 0.110 1 1 494 . 9 1 1 A 51 51 VAL C C 51 176.050 176.045 0.005 1 1 495 . 9 1 1 A 51 51 VAL CA C 51 64.280 63.336 0.944 1 1 496 . 9 1 1 A 51 51 VAL CB C 51 31.280 31.738 -0.458 1 1 497 . 9 1 1 A 51 51 VAL N N 51 125.710 128.470 -2.760 1 1 498 . 9 1 1 A 52 52 LYS H H 52 9.444 9.504 -0.060 1 1 499 . 9 1 1 A 52 52 LYS HA H 52 4.450 4.426 0.024 1 1 506 . 9 1 1 A 52 52 LYS C C 52 176.150 175.790 0.360 1 1 507 . 9 1 1 A 52 52 LYS CA C 52 57.050 57.411 -0.361 1 1 508 . 9 1 1 A 52 52 LYS CB C 52 34.470 33.949 0.521 1 1 509 . 9 1 1 A 52 52 LYS N N 52 132.750 129.619 3.131 1 1 510 . 9 1 1 A 53 53 ARG H H 53 8.051 7.877 0.174 1 1 511 . 9 1 1 A 53 53 ARG HA H 53 4.685 4.958 -0.273 1 1 516 . 9 1 1 A 53 53 ARG C C 53 173.470 174.814 -1.344 1 1 517 . 9 1 1 A 53 53 ARG CA C 53 55.090 55.024 0.066 1 1 518 . 9 1 1 A 53 53 ARG CB C 53 34.300 33.951 0.349 1 1 519 . 9 1 1 A 53 53 ARG N N 53 117.320 118.822 -1.502 1 1 520 . 9 1 1 A 54 54 GLY H H 54 8.377 8.353 0.024 1 1 521 . 9 1 1 A 54 54 GLY HA2 H 54 4.215 3.945 0.270 1 1 522 . 9 1 1 A 54 54 GLY HA3 H 54 3.503 4.049 -0.546 1 1 523 . 9 1 1 A 54 54 GLY C C 54 171.870 174.427 -2.557 1 1 524 . 9 1 1 A 54 54 GLY CA C 54 43.770 44.181 -0.411 1 1 525 . 9 1 1 A 54 54 GLY N N 54 110.960 112.880 -1.920 1 1 526 . 9 1 1 A 55 55 PRO HA H 55 4.255 4.363 -0.108 1 1 531 . 9 1 1 A 55 55 PRO C C 55 175.940 177.610 -1.670 1 1 532 . 9 1 1 A 55 55 PRO CA C 55 64.390 64.871 -0.481 1 1 533 . 9 1 1 A 55 55 PRO CB C 55 31.360 31.954 -0.594 1 1 534 . 9 1 1 A 56 56 ASN H H 56 8.202 8.567 -0.365 1 1 535 . 9 1 1 A 56 56 ASN HA H 56 4.685 5.003 -0.318 1 1 540 . 9 1 1 A 56 56 ASN C C 56 174.410 175.139 -0.729 1 1 541 . 9 1 1 A 56 56 ASN CA C 56 52.120 52.894 -0.774 1 1 542 . 9 1 1 A 56 56 ASN CB C 56 37.070 39.043 -1.973 1 1 543 . 9 1 1 A 56 56 ASN N N 56 114.760 115.104 -0.344 1 1 545 . 9 1 1 A 57 57 ALA H H 57 7.283 7.477 -0.194 1 1 546 . 9 1 1 A 57 57 ALA HA H 57 3.618 4.492 -0.874 1 1 550 . 9 1 1 A 57 57 ALA C C 57 178.090 178.397 -0.307 1 1 551 . 9 1 1 A 57 57 ALA CA C 57 54.480 53.911 0.569 1 1 552 . 9 1 1 A 57 57 ALA CB C 57 17.760 18.472 -0.712 1 1 553 . 9 1 1 A 57 57 ALA N N 57 120.380 122.467 -2.087 1 1 554 . 9 1 1 A 58 58 GLY H H 58 9.052 9.285 -0.233 1 1 555 . 9 1 1 A 58 58 GLY HA2 H 58 4.449 3.976 0.473 1 1 556 . 9 1 1 A 58 58 GLY HA3 H 58 3.415 3.982 -0.567 1 1 557 . 9 1 1 A 58 58 GLY C C 58 174.610 174.228 0.382 1 1 558 . 9 1 1 A 58 58 GLY CA C 58 44.530 45.020 -0.490 1 1 559 . 9 1 1 A 58 58 GLY N N 58 112.180 110.766 1.414 1 1 560 . 9 1 1 A 59 59 ALA H H 59 8.171 7.670 0.501 1 1 561 . 9 1 1 A 59 59 ALA HA H 59 4.081 4.297 -0.216 1 1 565 . 9 1 1 A 59 59 ALA C C 59 175.220 176.628 -1.408 1 1 566 . 9 1 1 A 59 59 ALA CA C 59 53.170 51.812 1.358 1 1 567 . 9 1 1 A 59 59 ALA CB C 59 19.360 19.713 -0.353 1 1 568 . 9 1 1 A 59 59 ALA N N 59 124.650 123.852 0.798 1 1 569 . 9 1 1 A 60 60 ARG H H 60 7.751 8.816 -1.065 1 1 570 . 9 1 1 A 60 60 ARG HA H 60 5.105 5.111 -0.006 1 1 575 . 9 1 1 A 60 60 ARG C C 60 175.320 174.524 0.796 1 1 576 . 9 1 1 A 60 60 ARG CA C 60 54.150 54.201 -0.051 1 1 577 . 9 1 1 A 60 60 ARG CB C 60 34.130 33.597 0.533 1 1 578 . 9 1 1 A 60 60 ARG N N 60 116.920 118.573 -1.653 1 1 579 . 9 1 1 A 61 61 PHE H H 61 9.213 9.274 -0.061 1 1 580 . 9 1 1 A 61 61 PHE HA H 61 4.788 5.015 -0.227 1 1 587 . 9 1 1 A 61 61 PHE C C 61 173.930 174.540 -0.610 1 1 588 . 9 1 1 A 61 61 PHE CA C 61 56.500 56.477 0.023 1 1 589 . 9 1 1 A 61 61 PHE CB C 61 41.860 42.239 -0.379 1 1 590 . 9 1 1 A 61 61 PHE N N 61 121.090 120.579 0.511 1 1 591 . 9 1 1 A 62 62 LEU H H 62 8.638 9.067 -0.429 1 1 592 . 9 1 1 A 62 62 LEU HA H 62 4.566 5.080 -0.514 1 1 602 . 9 1 1 A 62 62 LEU C C 62 176.570 175.538 1.032 1 1 603 . 9 1 1 A 62 62 LEU CA C 62 55.130 52.938 2.192 1 1 604 . 9 1 1 A 62 62 LEU CB C 62 43.620 43.880 -0.260 1 1 605 . 9 1 1 A 62 62 LEU N N 62 125.630 119.502 6.128 1 1 606 . 9 1 1 A 63 63 LEU H H 63 8.929 9.473 -0.544 1 1 607 . 9 1 1 A 63 63 LEU HA H 63 4.852 4.607 0.245 1 1 617 . 9 1 1 A 63 63 LEU C C 63 175.070 176.145 -1.075 1 1 618 . 9 1 1 A 63 63 LEU CA C 63 53.170 54.256 -1.086 1 1 619 . 9 1 1 A 63 63 LEU CB C 63 42.110 41.702 0.408 1 1 620 . 9 1 1 A 63 63 LEU N N 63 125.980 124.285 1.695 1 1 621 . 9 1 1 A 64 64 ASP H H 64 8.601 8.854 -0.253 1 1 622 . 9 1 1 A 64 64 ASP HA H 64 4.736 4.973 -0.237 1 1 625 . 9 1 1 A 64 64 ASP C C 64 175.130 175.317 -0.187 1 1 626 . 9 1 1 A 64 64 ASP CA C 64 53.640 53.516 0.124 1 1 627 . 9 1 1 A 64 64 ASP CB C 64 41.020 43.120 -2.100 1 1 628 . 9 1 1 A 64 64 ASP N N 64 120.910 126.617 -5.707 1 1 629 . 9 1 1 A 65 65 GLN H H 65 7.497 7.469 0.028 1 1 630 . 9 1 1 A 65 65 GLN HA H 65 4.856 4.759 0.097 1 1 637 . 9 1 1 A 65 65 GLN C C 65 173.550 175.597 -2.047 1 1 638 . 9 1 1 A 65 65 GLN CA C 65 52.780 53.564 -0.784 1 1 639 . 9 1 1 A 65 65 GLN N N 65 117.420 116.969 0.451 1 1 641 . 9 1 1 A 66 66 PRO HA H 66 4.190 4.428 -0.238 1 1 648 . 9 1 1 A 66 66 PRO C C 66 177.400 176.820 0.580 1 1 649 . 9 1 1 A 66 66 PRO CA C 66 66.810 64.914 1.896 1 1 650 . 9 1 1 A 66 66 PRO CB C 66 32.370 31.982 0.388 1 1 651 . 9 1 1 A 67 67 THR H H 67 7.647 7.502 0.145 1 1 652 . 9 1 1 A 67 67 THR HA H 67 4.811 5.297 -0.486 1 1 657 . 9 1 1 A 67 67 THR C C 67 173.280 173.332 -0.052 1 1 658 . 9 1 1 A 67 67 THR CA C 67 62.830 61.260 1.570 1 1 659 . 9 1 1 A 67 67 THR CB C 67 71.740 71.519 0.221 1 1 660 . 9 1 1 A 67 67 THR N N 67 109.270 111.945 -2.675 1 1 661 . 9 1 1 A 68 68 THR H H 68 8.919 9.644 -0.725 1 1 662 . 9 1 1 A 68 68 THR HA H 68 4.968 5.051 -0.083 1 1 667 . 9 1 1 A 68 68 THR C C 68 175.090 173.864 1.226 1 1 668 . 9 1 1 A 68 68 THR CA C 68 61.820 62.107 -0.287 1 1 669 . 9 1 1 A 68 68 THR CB C 68 70.730 70.087 0.643 1 1 670 . 9 1 1 A 68 68 THR N N 68 125.610 123.734 1.876 1 1 671 . 9 1 1 A 69 69 THR H H 69 10.398 8.842 1.556 1 1 672 . 9 1 1 A 69 69 THR HA H 69 4.491 4.706 -0.215 1 1 677 . 9 1 1 A 69 69 THR C C 69 173.140 174.202 -1.062 1 1 678 . 9 1 1 A 69 69 THR CA C 69 61.790 62.447 -0.657 1 1 679 . 9 1 1 A 69 69 THR CB C 69 70.820 69.878 0.942 1 1 680 . 9 1 1 A 69 69 THR N N 69 121.520 122.576 -1.056 1 1 681 . 9 1 1 A 70 70 ALA H H 70 8.722 8.915 -0.193 1 1 682 . 9 1 1 A 70 70 ALA HA H 70 5.696 5.409 0.287 1 1 686 . 9 1 1 A 70 70 ALA C C 70 175.840 176.059 -0.219 1 1 687 . 9 1 1 A 70 70 ALA CA C 70 50.030 50.456 -0.426 1 1 688 . 9 1 1 A 70 70 ALA CB C 70 22.300 22.714 -0.414 1 1 689 . 9 1 1 A 70 70 ALA N N 70 122.410 128.711 -6.301 1 1 690 . 9 1 1 A 71 71 GLY H H 71 8.430 8.262 0.168 1 1 691 . 9 1 1 A 71 71 GLY HA2 H 71 4.474 4.178 0.296 1 1 692 . 9 1 1 A 71 71 GLY HA3 H 71 3.903 4.230 -0.327 1 1 693 . 9 1 1 A 71 71 GLY C C 71 170.540 171.066 -0.526 1 1 694 . 9 1 1 A 71 71 GLY CA C 71 46.300 45.514 0.786 1 1 695 . 9 1 1 A 71 71 GLY N N 71 108.960 107.579 1.381 1 1 696 . 9 1 1 A 72 72 ARG H H 72 8.341 9.121 -0.780 1 1 697 . 9 1 1 A 72 72 ARG HA H 72 4.481 4.934 -0.453 1 1 702 . 9 1 1 A 72 72 ARG C C 72 175.720 175.035 0.685 1 1 703 . 9 1 1 A 72 72 ARG CA C 72 54.800 55.101 -0.301 1 1 704 . 9 1 1 A 72 72 ARG CB C 72 32.540 32.716 -0.176 1 1 705 . 9 1 1 A 72 72 ARG N N 72 120.930 121.329 -0.399 1 1 706 . 9 1 1 A 73 73 HIS H H 73 9.295 8.875 0.420 1 1 707 . 9 1 1 A 73 73 HIS HA H 73 4.403 5.063 -0.660 1 1 712 . 9 1 1 A 73 73 HIS C C 73 176.860 174.344 2.516 1 1 713 . 9 1 1 A 73 73 HIS CA C 73 57.050 55.572 1.478 1 1 714 . 9 1 1 A 73 73 HIS N N 73 125.290 124.096 1.194 1 1 715 . 9 1 1 A 74 74 PRO HA H 74 4.373 4.243 0.130 1 1 722 . 9 1 1 A 74 74 PRO C C 74 177.590 177.315 0.275 1 1 723 . 9 1 1 A 74 74 PRO CA C 74 64.930 64.702 0.228 1 1 724 . 9 1 1 A 74 74 PRO CB C 74 32.030 31.804 0.226 1 1 725 . 9 1 1 A 75 75 GLU H H 75 10.575 8.298 2.277 1 1 726 . 9 1 1 A 75 75 GLU HA H 75 4.352 4.284 0.068 1 1 731 . 9 1 1 A 75 75 GLU C C 75 177.320 176.654 0.666 1 1 732 . 9 1 1 A 75 75 GLU CA C 75 56.070 57.053 -0.983 1 1 733 . 9 1 1 A 75 75 GLU CB C 75 29.010 30.276 -1.266 1 1 734 . 9 1 1 A 75 75 GLU N N 75 119.840 117.315 2.525 1 1 735 . 9 1 1 A 76 76 SER H H 76 8.236 7.424 0.812 1 1 736 . 9 1 1 A 76 76 SER HA H 76 4.100 4.319 -0.219 1 1 739 . 9 1 1 A 76 76 SER C C 76 173.120 173.889 -0.769 1 1 740 . 9 1 1 A 76 76 SER CA C 76 60.160 60.612 -0.452 1 1 741 . 9 1 1 A 76 76 SER CB C 76 65.530 63.670 1.860 1 1 742 . 9 1 1 A 76 76 SER N N 76 118.860 116.298 2.562 1 1 743 . 9 1 1 A 77 77 ASP H H 77 8.541 8.622 -0.081 1 1 744 . 9 1 1 A 77 77 ASP HA H 77 4.344 4.508 -0.164 1 1 747 . 9 1 1 A 77 77 ASP C C 77 177.590 176.141 1.449 1 1 748 . 9 1 1 A 77 77 ASP CA C 77 58.380 56.538 1.842 1 1 749 . 9 1 1 A 77 77 ASP CB C 77 42.110 41.479 0.631 1 1 750 . 9 1 1 A 77 77 ASP N N 77 126.720 124.011 2.709 1 1 751 . 9 1 1 A 78 78 ILE H H 78 8.571 7.095 1.476 1 1 752 . 9 1 1 A 78 78 ILE HA H 78 3.563 4.321 -0.758 1 1 762 . 9 1 1 A 78 78 ILE C C 78 172.930 174.230 -1.300 1 1 763 . 9 1 1 A 78 78 ILE CA C 78 60.880 59.810 1.070 1 1 764 . 9 1 1 A 78 78 ILE CB C 78 37.410 39.513 -2.103 1 1 765 . 9 1 1 A 78 78 ILE N N 78 120.210 114.562 5.648 1 1 766 . 9 1 1 A 79 79 PHE H H 79 8.018 8.907 -0.889 1 1 767 . 9 1 1 A 79 79 PHE HA H 79 5.018 5.009 0.009 1 1 775 . 9 1 1 A 79 79 PHE C C 79 174.130 173.643 0.487 1 1 776 . 9 1 1 A 79 79 PHE CA C 79 55.780 55.940 -0.160 1 1 777 . 9 1 1 A 79 79 PHE CB C 79 39.170 40.684 -1.514 1 1 778 . 9 1 1 A 79 79 PHE N N 79 127.300 126.957 0.343 1 1 779 . 9 1 1 A 80 80 LEU H H 80 7.695 8.524 -0.829 1 1 780 . 9 1 1 A 80 80 LEU HA H 80 3.619 4.964 -1.345 1 1 790 . 9 1 1 A 80 80 LEU C C 80 173.720 174.414 -0.694 1 1 791 . 9 1 1 A 80 80 LEU CA C 80 52.340 52.822 -0.482 1 1 792 . 9 1 1 A 80 80 LEU CB C 80 41.770 44.259 -2.489 1 1 793 . 9 1 1 A 80 80 LEU N N 80 131.810 128.155 3.655 1 1 794 . 9 1 1 A 81 81 ASP H H 81 7.974 9.547 -1.573 1 1 795 . 9 1 1 A 81 81 ASP HA H 81 4.141 5.385 -1.244 1 1 798 . 9 1 1 A 81 81 ASP C C 81 175.130 174.251 0.879 1 1 799 . 9 1 1 A 81 81 ASP CA C 81 53.210 52.850 0.360 1 1 800 . 9 1 1 A 81 81 ASP CB C 81 39.930 44.701 -4.771 1 1 801 . 9 1 1 A 81 81 ASP N N 81 121.130 124.652 -3.522 1 1 802 . 9 1 1 A 82 82 ASP H H 82 7.583 8.595 -1.012 1 1 803 . 9 1 1 A 82 82 ASP HA H 82 4.859 4.990 -0.131 1 1 806 . 9 1 1 A 82 82 ASP C C 82 176.760 174.883 1.877 1 1 807 . 9 1 1 A 82 82 ASP CA C 82 54.980 53.052 1.928 1 1 808 . 9 1 1 A 82 82 ASP CB C 82 39.170 44.197 -5.027 1 1 809 . 9 1 1 A 82 82 ASP N N 82 121.540 123.376 -1.836 1 1 810 . 9 1 1 A 83 83 VAL H H 83 8.344 8.369 -0.025 1 1 811 . 9 1 1 A 83 83 VAL HA H 83 4.012 4.019 -0.007 1 1 819 . 9 1 1 A 83 83 VAL C C 83 174.860 176.334 -1.474 1 1 820 . 9 1 1 A 83 83 VAL CA C 83 65.330 64.581 0.749 1 1 821 . 9 1 1 A 83 83 VAL CB C 83 31.530 32.576 -1.046 1 1 822 . 9 1 1 A 83 83 VAL N N 83 122.260 119.922 2.338 1 1 823 . 9 1 1 A 84 84 THR H H 84 8.268 7.538 0.730 1 1 824 . 9 1 1 A 84 84 THR HA H 84 4.540 4.255 0.285 1 1 828 . 9 1 1 A 84 84 THR C C 84 175.360 174.211 1.149 1 1 829 . 9 1 1 A 84 84 THR CA C 84 63.810 63.145 0.665 1 1 830 . 9 1 1 A 84 84 THR CB C 84 70.900 69.756 1.144 1 1 831 . 9 1 1 A 84 84 THR N N 84 110.620 116.758 -6.138 1 1 832 . 9 1 1 A 85 85 VAL H H 85 8.579 8.451 0.128 1 1 833 . 9 1 1 A 85 85 VAL HA H 85 4.254 4.502 -0.248 1 1 841 . 9 1 1 A 85 85 VAL C C 85 177.070 174.842 2.228 1 1 842 . 9 1 1 A 85 85 VAL CA C 85 61.930 61.450 0.480 1 1 843 . 9 1 1 A 85 85 VAL CB C 85 32.450 31.719 0.731 1 1 844 . 9 1 1 A 85 85 VAL N N 85 126.860 127.159 -0.299 1 1 845 . 9 1 1 A 86 86 SER H H 86 11.668 9.142 2.526 1 1 846 . 9 1 1 A 86 86 SER HA H 86 5.203 4.686 0.517 1 1 849 . 9 1 1 A 86 86 SER C C 86 175.470 175.223 0.247 1 1 850 . 9 1 1 A 86 86 SER CA C 86 61.600 57.774 3.826 1 1 851 . 9 1 1 A 86 86 SER CB C 86 64.270 61.533 2.737 1 1 852 . 9 1 1 A 86 86 SER N N 86 128.670 125.616 3.054 1 1 853 . 9 1 1 A 87 87 ARG H H 87 10.946 8.353 2.593 1 1 854 . 9 1 1 A 87 87 ARG HA H 87 5.179 3.802 1.377 1 1 862 . 9 1 1 A 87 87 ARG C C 87 177.110 176.104 1.006 1 1 863 . 9 1 1 A 87 87 ARG CA C 87 60.810 58.761 2.049 1 1 864 . 9 1 1 A 87 87 ARG CB C 87 29.010 29.500 -0.490 1 1 865 . 9 1 1 A 87 87 ARG N N 87 126.810 123.972 2.838 1 1 867 . 9 1 1 A 88 88 ARG H H 88 7.946 7.805 0.141 1 1 868 . 9 1 1 A 88 88 ARG HA H 88 4.459 4.681 -0.222 1 1 876 . 9 1 1 A 88 88 ARG C C 88 172.990 175.706 -2.716 1 1 877 . 9 1 1 A 88 88 ARG CA C 88 55.060 54.768 0.292 1 1 878 . 9 1 1 A 88 88 ARG CB C 88 29.770 33.058 -3.288 1 1 879 . 9 1 1 A 88 88 ARG N N 88 115.670 118.265 -2.595 1 1 881 . 9 1 1 A 89 89 HIS H H 89 7.613 8.534 -0.921 1 1 882 . 9 1 1 A 89 89 HIS HA H 89 4.437 4.643 -0.206 1 1 888 . 9 1 1 A 89 89 HIS C C 89 174.050 175.010 -0.960 1 1 889 . 9 1 1 A 89 89 HIS CA C 89 58.420 57.924 0.496 1 1 890 . 9 1 1 A 89 89 HIS CB C 89 32.620 31.820 0.800 1 1 891 . 9 1 1 A 89 89 HIS N N 89 124.000 125.016 -1.016 1 1 893 . 9 1 1 A 90 90 ALA H H 90 8.454 7.225 1.229 1 1 894 . 9 1 1 A 90 90 ALA HA H 90 5.529 4.500 1.029 1 1 898 . 9 1 1 A 90 90 ALA C C 90 176.260 174.857 1.403 1 1 899 . 9 1 1 A 90 90 ALA CA C 90 50.240 51.251 -1.011 1 1 900 . 9 1 1 A 90 90 ALA CB C 90 23.220 22.529 0.691 1 1 901 . 9 1 1 A 90 90 ALA N N 90 116.480 118.143 -1.663 1 1 902 . 9 1 1 A 91 91 GLU H H 91 9.216 9.073 0.143 1 1 903 . 9 1 1 A 91 91 GLU HA H 91 4.931 5.239 -0.308 1 1 908 . 9 1 1 A 91 91 GLU C C 91 173.910 174.330 -0.420 1 1 909 . 9 1 1 A 91 91 GLU CA C 91 54.690 54.478 0.212 1 1 910 . 9 1 1 A 91 91 GLU CB C 91 34.720 33.623 1.097 1 1 911 . 9 1 1 A 91 91 GLU N N 91 118.140 117.052 1.088 1 1 912 . 9 1 1 A 92 92 PHE H H 92 9.330 9.592 -0.262 1 1 913 . 9 1 1 A 92 92 PHE HA H 92 5.502 5.493 0.009 1 1 921 . 9 1 1 A 92 92 PHE C C 92 176.650 174.504 2.146 1 1 922 . 9 1 1 A 92 92 PHE CA C 92 56.760 56.866 -0.106 1 1 923 . 9 1 1 A 92 92 PHE CB C 92 41.690 40.592 1.098 1 1 924 . 9 1 1 A 92 92 PHE N N 92 119.490 120.827 -1.337 1 1 925 . 9 1 1 A 93 93 ARG H H 93 9.846 9.460 0.386 1 1 926 . 9 1 1 A 93 93 ARG HA H 93 5.610 5.200 0.410 1 1 934 . 9 1 1 A 93 93 ARG C C 93 175.010 174.858 0.152 1 1 935 . 9 1 1 A 93 93 ARG CA C 93 54.580 54.725 -0.145 1 1 936 . 9 1 1 A 93 93 ARG CB C 93 34.220 32.721 1.499 1 1 937 . 9 1 1 A 93 93 ARG N N 93 127.300 125.306 1.994 1 1 939 . 9 1 1 A 94 94 ILE H H 94 8.521 9.452 -0.931 1 1 940 . 9 1 1 A 94 94 ILE HA H 94 4.410 5.094 -0.684 1 1 950 . 9 1 1 A 94 94 ILE C C 94 176.420 174.993 1.427 1 1 951 . 9 1 1 A 94 94 ILE CA C 94 61.130 60.075 1.055 1 1 952 . 9 1 1 A 94 94 ILE CB C 94 38.830 40.131 -1.301 1 1 953 . 9 1 1 A 94 94 ILE N N 94 121.680 126.655 -4.975 1 1 954 . 9 1 1 A 95 95 ASN H H 95 8.847 9.010 -0.163 1 1 955 . 9 1 1 A 95 95 ASN HA H 95 4.796 5.033 -0.237 1 1 960 . 9 1 1 A 95 95 ASN C C 95 174.430 174.207 0.223 1 1 961 . 9 1 1 A 95 95 ASN CA C 95 52.560 52.707 -0.147 1 1 962 . 9 1 1 A 95 95 ASN CB C 95 40.510 40.882 -0.372 1 1 963 . 9 1 1 A 95 95 ASN N N 95 127.100 123.783 3.317 1 1 965 . 9 1 1 A 96 96 GLU H H 96 9.303 9.454 -0.151 1 1 966 . 9 1 1 A 96 96 GLU HA H 96 3.768 4.016 -0.248 1 1 971 . 9 1 1 A 96 96 GLU C C 96 176.280 176.388 -0.108 1 1 972 . 9 1 1 A 96 96 GLU CA C 96 57.150 57.539 -0.389 1 1 973 . 9 1 1 A 96 96 GLU CB C 96 27.590 27.980 -0.390 1 1 974 . 9 1 1 A 96 96 GLU N N 96 125.150 127.028 -1.878 1 1 975 . 9 1 1 A 97 97 GLY H H 97 7.937 8.424 -0.487 1 1 976 . 9 1 1 A 97 97 GLY HA2 H 97 4.042 3.623 0.419 1 1 977 . 9 1 1 A 97 97 GLY HA3 H 97 3.450 3.708 -0.258 1 1 978 . 9 1 1 A 97 97 GLY C C 97 172.990 173.236 -0.246 1 1 979 . 9 1 1 A 97 97 GLY CA C 97 45.390 45.120 0.270 1 1 980 . 9 1 1 A 97 97 GLY N N 97 104.330 104.777 -0.447 1 1 981 . 9 1 1 A 98 98 GLU H H 98 7.557 7.745 -0.188 1 1 982 . 9 1 1 A 98 98 GLU HA H 98 4.591 4.252 0.339 1 1 987 . 9 1 1 A 98 98 GLU C C 98 174.530 175.634 -1.104 1 1 988 . 9 1 1 A 98 98 GLU CA C 98 54.770 55.267 -0.497 1 1 989 . 9 1 1 A 98 98 GLU CB C 98 32.290 31.304 0.986 1 1 990 . 9 1 1 A 98 98 GLU N N 98 119.350 119.995 -0.645 1 1 991 . 9 1 1 A 99 99 PHE H H 99 9.412 8.904 0.508 1 1 992 . 9 1 1 A 99 99 PHE HA H 99 5.007 5.274 -0.267 1 1 999 . 9 1 1 A 99 99 PHE C C 99 174.050 175.242 -1.192 1 1 1000 . 9 1 1 A 99 99 PHE CA C 99 57.260 56.925 0.335 1 1 1001 . 9 1 1 A 99 99 PHE CB C 99 42.110 41.253 0.857 1 1 1002 . 9 1 1 A 99 99 PHE N N 99 122.550 122.336 0.214 1 1 1003 . 9 1 1 A 100 100 GLU H H 100 9.444 9.650 -0.206 1 1 1004 . 9 1 1 A 100 100 GLU HA H 100 5.145 5.056 0.089 1 1 1009 . 9 1 1 A 100 100 GLU C C 100 175.340 174.865 0.475 1 1 1010 . 9 1 1 A 100 100 GLU CA C 100 54.080 54.694 -0.614 1 1 1011 . 9 1 1 A 100 100 GLU CB C 100 34.720 32.795 1.925 1 1 1012 . 9 1 1 A 100 100 GLU N N 100 124.080 120.716 3.364 1 1 1013 . 9 1 1 A 101 101 VAL H H 101 8.726 9.138 -0.412 1 1 1014 . 9 1 1 A 101 101 VAL HA H 101 4.900 4.479 0.421 1 1 1022 . 9 1 1 A 101 101 VAL C C 101 172.510 175.000 -2.490 1 1 1023 . 9 1 1 A 101 101 VAL CA C 101 58.710 61.400 -2.690 1 1 1024 . 9 1 1 A 101 101 VAL CB C 101 33.550 32.813 0.737 1 1 1025 . 9 1 1 A 101 101 VAL N N 101 124.500 124.224 0.276 1 1 1026 . 9 1 1 A 102 102 VAL H H 102 8.719 9.300 -0.581 1 1 1027 . 9 1 1 A 102 102 VAL HA H 102 4.578 4.406 0.172 1 1 1035 . 9 1 1 A 102 102 VAL C C 102 175.380 174.650 0.730 1 1 1036 . 9 1 1 A 102 102 VAL CA C 102 60.370 60.636 -0.266 1 1 1037 . 9 1 1 A 102 102 VAL CB C 102 36.060 34.601 1.459 1 1 1038 . 9 1 1 A 102 102 VAL N N 102 125.900 127.753 -1.853 1 1 1039 . 9 1 1 A 103 103 ASP H H 103 8.626 9.173 -0.547 1 1 1040 . 9 1 1 A 103 103 ASP HA H 103 4.856 4.597 0.259 1 1 1043 . 9 1 1 A 103 103 ASP C C 103 177.300 176.374 0.926 1 1 1044 . 9 1 1 A 103 103 ASP CA C 103 54.580 53.748 0.832 1 1 1045 . 9 1 1 A 103 103 ASP CB C 103 44.210 41.589 2.621 1 1 1046 . 9 1 1 A 103 103 ASP N N 103 127.250 126.644 0.606 1 1 1047 . 9 1 1 A 104 104 VAL H H 104 7.890 9.063 -1.173 1 1 1048 . 9 1 1 A 104 104 VAL HA H 104 4.527 4.423 0.104 1 1 1056 . 9 1 1 A 104 104 VAL C C 104 174.490 175.380 -0.890 1 1 1057 . 9 1 1 A 104 104 VAL CA C 104 60.630 60.693 -0.063 1 1 1058 . 9 1 1 A 104 104 VAL CB C 104 29.350 32.464 -3.114 1 1 1059 . 9 1 1 A 104 104 VAL N N 104 119.270 117.802 1.468 1 1 1060 . 9 1 1 A 105 105 GLY H H 105 8.690 7.356 1.334 1 1 1061 . 9 1 1 A 105 105 GLY HA2 H 105 4.270 4.093 0.177 1 1 1062 . 9 1 1 A 105 105 GLY HA3 H 105 3.685 4.108 -0.423 1 1 1063 . 9 1 1 A 105 105 GLY C C 105 175.490 174.769 0.721 1 1 1064 . 9 1 1 A 105 105 GLY CA C 105 45.650 45.345 0.305 1 1 1065 . 9 1 1 A 105 105 GLY N N 105 111.790 110.232 1.558 1 1 1066 . 9 1 1 A 106 106 SER H H 106 9.218 8.513 0.705 1 1 1067 . 9 1 1 A 106 106 SER HA H 106 3.894 4.697 -0.803 1 1 1070 . 9 1 1 A 106 106 SER C C 106 174.590 175.073 -0.483 1 1 1071 . 9 1 1 A 106 106 SER CA C 106 58.600 59.285 -0.685 1 1 1072 . 9 1 1 A 106 106 SER CB C 106 61.250 62.498 -1.248 1 1 1073 . 9 1 1 A 106 106 SER N N 106 121.540 116.729 4.811 1 1 1074 . 9 1 1 A 107 107 LEU H H 107 8.018 7.709 0.309 1 1 1075 . 9 1 1 A 107 107 LEU HA H 107 4.240 4.095 0.145 1 1 1085 . 9 1 1 A 107 107 LEU C C 107 179.420 178.156 1.264 1 1 1086 . 9 1 1 A 107 107 LEU CA C 107 57.590 57.451 0.139 1 1 1087 . 9 1 1 A 107 107 LEU CB C 107 42.360 41.409 0.951 1 1 1088 . 9 1 1 A 107 107 LEU N N 107 121.520 121.697 -0.177 1 1 1089 . 9 1 1 A 108 108 ASN H H 108 8.799 7.136 1.663 1 1 1090 . 9 1 1 A 108 108 ASN HA H 108 4.986 4.706 0.280 1 1 1093 . 9 1 1 A 108 108 ASN C C 108 175.950 175.716 0.234 1 1 1094 . 9 1 1 A 108 108 ASN CA C 108 54.440 52.954 1.486 1 1 1095 . 9 1 1 A 108 108 ASN CB C 108 41.180 38.828 2.352 1 1 1096 . 9 1 1 A 108 108 ASN N N 108 111.800 115.122 -3.322 1 1 1097 . 9 1 1 A 109 109 GLY H H 109 8.025 7.804 0.221 1 1 1098 . 9 1 1 A 109 109 GLY HA2 H 109 4.237 3.868 0.369 1 1 1099 . 9 1 1 A 109 109 GLY HA3 H 109 3.621 3.927 -0.306 1 1 1100 . 9 1 1 A 109 109 GLY C C 109 173.820 174.573 -0.753 1 1 1101 . 9 1 1 A 109 109 GLY CA C 109 44.340 45.962 -1.622 1 1 1102 . 9 1 1 A 109 109 GLY N N 109 110.600 107.350 3.250 1 1 1103 . 9 1 1 A 110 110 THR H H 110 8.770 8.311 0.459 1 1 1104 . 9 1 1 A 110 110 THR HA H 110 4.797 4.315 0.482 1 1 1109 . 9 1 1 A 110 110 THR C C 110 172.570 173.863 -1.293 1 1 1110 . 9 1 1 A 110 110 THR CA C 110 64.540 63.210 1.330 1 1 1111 . 9 1 1 A 110 110 THR CB C 110 70.230 69.105 1.125 1 1 1112 . 9 1 1 A 110 110 THR N N 110 121.240 116.137 5.103 1 1 1113 . 9 1 1 A 111 111 TYR H H 111 8.272 8.935 -0.663 1 1 1114 . 9 1 1 A 111 111 TYR HA H 111 5.155 5.340 -0.185 1 1 1121 . 9 1 1 A 111 111 TYR C C 111 175.860 175.249 0.611 1 1 1122 . 9 1 1 A 111 111 TYR CA C 111 55.820 56.467 -0.647 1 1 1123 . 9 1 1 A 111 111 TYR CB C 111 41.100 42.585 -1.485 1 1 1124 . 9 1 1 A 111 111 TYR N N 111 123.680 124.759 -1.079 1 1 1125 . 9 1 1 A 112 112 VAL H H 112 9.017 9.326 -0.309 1 1 1126 . 9 1 1 A 112 112 VAL HA H 112 4.951 4.693 0.258 1 1 1134 . 9 1 1 A 112 112 VAL C C 112 176.780 176.101 0.679 1 1 1135 . 9 1 1 A 112 112 VAL CA C 112 61.130 60.903 0.227 1 1 1136 . 9 1 1 A 112 112 VAL CB C 112 32.870 34.047 -1.177 1 1 1137 . 9 1 1 A 112 112 VAL N N 112 121.300 123.151 -1.851 1 1 1138 . 9 1 1 A 113 113 ASN H H 113 10.285 9.994 0.291 1 1 1139 . 9 1 1 A 113 113 ASN HA H 113 4.483 4.446 0.037 1 1 1144 . 9 1 1 A 113 113 ASN C C 113 174.590 174.433 0.157 1 1 1145 . 9 1 1 A 113 113 ASN CA C 113 55.160 54.826 0.334 1 1 1146 . 9 1 1 A 113 113 ASN CB C 113 37.240 36.847 0.393 1 1 1147 . 9 1 1 A 113 113 ASN N N 113 129.510 127.329 2.181 1 1 1149 . 9 1 1 A 114 114 ARG H H 114 9.459 8.228 1.231 1 1 1150 . 9 1 1 A 114 114 ARG HA H 114 3.659 3.975 -0.316 1 1 1158 . 9 1 1 A 114 114 ARG C C 114 174.900 174.848 0.052 1 1 1159 . 9 1 1 A 114 114 ARG CA C 114 58.280 57.787 0.493 1 1 1160 . 9 1 1 A 114 114 ARG CB C 114 27.250 27.689 -0.439 1 1 1161 . 9 1 1 A 114 114 ARG N N 114 106.570 108.982 -2.412 1 1 1163 . 9 1 1 A 115 115 GLU H H 115 7.827 7.882 -0.055 1 1 1164 . 9 1 1 A 115 115 GLU HA H 115 5.153 4.893 0.260 1 1 1169 . 9 1 1 A 115 115 GLU C C 115 173.950 174.469 -0.519 1 1 1170 . 9 1 1 A 115 115 GLU CA C 115 52.990 52.976 0.014 1 1 1171 . 9 1 1 A 115 115 GLU N N 115 119.780 118.682 1.098 1 1 1172 . 9 1 1 A 116 116 PRO HA H 116 3.983 4.925 -0.942 1 1 1177 . 9 1 1 A 116 116 PRO C C 116 177.780 175.587 2.193 1 1 1178 . 9 1 1 A 116 116 PRO CA C 116 62.910 62.045 0.865 1 1 1179 . 9 1 1 A 116 116 PRO CB C 116 31.200 31.805 -0.605 1 1 1180 . 9 1 1 A 117 117 ARG H H 117 8.414 8.018 0.396 1 1 1181 . 9 1 1 A 117 117 ARG HA H 117 4.699 4.775 -0.076 1 1 1189 . 9 1 1 A 117 117 ARG C C 117 175.260 175.521 -0.261 1 1 1190 . 9 1 1 A 117 117 ARG CA C 117 52.990 54.164 -1.174 1 1 1191 . 9 1 1 A 117 117 ARG CB C 117 24.560 34.658 -10.098 1 1 1192 . 9 1 1 A 117 117 ARG N N 117 121.900 122.536 -0.636 1 1 1194 . 9 1 1 A 118 118 ASN H H 118 8.741 8.613 0.128 1 1 1195 . 9 1 1 A 118 118 ASN HA H 118 4.731 4.971 -0.240 1 1 1200 . 9 1 1 A 118 118 ASN C C 118 175.220 175.438 -0.218 1 1 1201 . 9 1 1 A 118 118 ASN CA C 118 55.090 53.920 1.170 1 1 1202 . 9 1 1 A 118 118 ASN CB C 118 38.920 41.418 -2.498 1 1 1203 . 9 1 1 A 118 118 ASN N N 118 120.190 117.233 2.957 1 1 1205 . 9 1 1 A 119 119 ALA H H 119 7.372 7.679 -0.307 1 1 1206 . 9 1 1 A 119 119 ALA HA H 119 5.319 5.010 0.309 1 1 1210 . 9 1 1 A 119 119 ALA C C 119 176.720 175.147 1.573 1 1 1211 . 9 1 1 A 119 119 ALA CA C 119 52.120 51.231 0.889 1 1 1212 . 9 1 1 A 119 119 ALA CB C 119 21.460 22.428 -0.968 1 1 1213 . 9 1 1 A 119 119 ALA N N 119 120.380 118.397 1.983 1 1 1214 . 9 1 1 A 120 120 GLN H H 120 8.787 8.976 -0.189 1 1 1215 . 9 1 1 A 120 120 GLN HA H 120 4.505 4.643 -0.138 1 1 1222 . 9 1 1 A 120 120 GLN C C 120 174.380 173.962 0.418 1 1 1223 . 9 1 1 A 120 120 GLN CA C 120 56.030 55.179 0.851 1 1 1224 . 9 1 1 A 120 120 GLN CB C 120 32.790 32.503 0.287 1 1 1225 . 9 1 1 A 120 120 GLN N N 120 121.180 121.841 -0.661 1 1 1227 . 9 1 1 A 121 121 VAL H H 121 8.692 8.678 0.014 1 1 1228 . 9 1 1 A 121 121 VAL HA H 121 4.258 4.230 0.028 1 1 1236 . 9 1 1 A 121 121 VAL C C 121 176.510 174.928 1.582 1 1 1237 . 9 1 1 A 121 121 VAL CA C 121 64.140 62.558 1.582 1 1 1238 . 9 1 1 A 121 121 VAL CB C 121 31.700 32.030 -0.330 1 1 1239 . 9 1 1 A 121 121 VAL N N 121 129.930 127.524 2.406 1 1 1240 . 9 1 1 A 122 122 MET H H 122 8.924 9.410 -0.486 1 1 1241 . 9 1 1 A 122 122 MET HA H 122 4.419 4.985 -0.566 1 1 1249 . 9 1 1 A 122 122 MET C C 122 174.380 175.025 -0.645 1 1 1250 . 9 1 1 A 122 122 MET CA C 122 55.740 53.843 1.897 1 1 1251 . 9 1 1 A 122 122 MET CB C 122 35.140 34.478 0.662 1 1 1252 . 9 1 1 A 122 122 MET N N 122 129.560 127.660 1.900 1 1 1253 . 9 1 1 A 123 123 GLN H H 123 9.002 9.268 -0.266 1 1 1254 . 9 1 1 A 123 123 GLN HA H 123 4.823 5.009 -0.186 1 1 1261 . 9 1 1 A 123 123 GLN C C 123 175.530 175.480 0.050 1 1 1262 . 9 1 1 A 123 123 GLN CA C 123 53.570 54.534 -0.964 1 1 1263 . 9 1 1 A 123 123 GLN CB C 123 32.290 32.415 -0.125 1 1 1264 . 9 1 1 A 123 123 GLN N N 123 119.810 124.911 -5.101 1 1 1266 . 9 1 1 A 124 124 THR H H 124 9.036 8.688 0.348 1 1 1267 . 9 1 1 A 124 124 THR HA H 124 4.208 4.272 -0.064 1 1 1272 . 9 1 1 A 124 124 THR C C 124 175.300 175.726 -0.426 1 1 1273 . 9 1 1 A 124 124 THR CA C 124 65.510 63.938 1.572 1 1 1274 . 9 1 1 A 124 124 THR CB C 124 69.560 68.816 0.744 1 1 1275 . 9 1 1 A 124 124 THR N N 124 119.570 116.928 2.642 1 1 1276 . 9 1 1 A 125 125 GLY H H 125 9.921 9.556 0.365 1 1 1277 . 9 1 1 A 125 125 GLY HA2 H 125 4.552 4.044 0.508 1 1 1278 . 9 1 1 A 125 125 GLY HA3 H 125 3.480 4.045 -0.565 1 1 1279 . 9 1 1 A 125 125 GLY C C 125 174.650 174.223 0.427 1 1 1280 . 9 1 1 A 125 125 GLY CA C 125 44.710 45.058 -0.348 1 1 1281 . 9 1 1 A 125 125 GLY N N 125 117.920 117.200 0.720 1 1 1282 . 9 1 1 A 126 126 ASP H H 126 8.638 7.872 0.766 1 1 1283 . 9 1 1 A 126 126 ASP HA H 126 4.876 4.803 0.073 1 1 1286 . 9 1 1 A 126 126 ASP C C 126 174.650 174.993 -0.343 1 1 1287 . 9 1 1 A 126 126 ASP CA C 126 56.140 54.301 1.839 1 1 1288 . 9 1 1 A 126 126 ASP CB C 126 41.690 41.940 -0.250 1 1 1289 . 9 1 1 A 126 126 ASP N N 126 123.190 121.072 2.118 1 1 1290 . 9 1 1 A 127 127 GLU H H 127 8.316 9.168 -0.852 1 1 1291 . 9 1 1 A 127 127 GLU HA H 127 5.341 5.309 0.032 1 1 1296 . 9 1 1 A 127 127 GLU C C 127 175.990 174.998 0.992 1 1 1297 . 9 1 1 A 127 127 GLU CA C 127 54.440 54.961 -0.521 1 1 1298 . 9 1 1 A 127 127 GLU CB C 127 32.790 33.331 -0.541 1 1 1299 . 9 1 1 A 127 127 GLU N N 127 118.480 122.033 -3.553 1 1 1300 . 9 1 1 A 128 128 ILE H H 128 9.910 9.416 0.494 1 1 1301 . 9 1 1 A 128 128 ILE HA H 128 5.334 4.724 0.610 1 1 1311 . 9 1 1 A 128 128 ILE C C 128 174.700 175.235 -0.535 1 1 1312 . 9 1 1 A 128 128 ILE CA C 128 59.470 60.008 -0.538 1 1 1313 . 9 1 1 A 128 128 ILE CB C 128 40.600 39.710 0.890 1 1 1314 . 9 1 1 A 128 128 ILE N N 128 128.810 124.772 4.038 1 1 1315 . 9 1 1 A 129 129 GLN H H 129 9.502 9.647 -0.145 1 1 1316 . 9 1 1 A 129 129 GLN HA H 129 5.406 5.623 -0.217 1 1 1323 . 9 1 1 A 129 129 GLN C C 129 174.950 175.199 -0.249 1 1 1324 . 9 1 1 A 129 129 GLN CA C 129 54.800 54.430 0.370 1 1 1325 . 9 1 1 A 129 129 GLN CB C 129 30.690 31.127 -0.437 1 1 1326 . 9 1 1 A 129 129 GLN N N 129 129.270 125.689 3.581 1 1 1328 . 9 1 1 A 130 130 ILE H H 130 8.498 8.705 -0.207 1 1 1329 . 9 1 1 A 130 130 ILE HA H 130 4.116 4.742 -0.626 1 1 1339 . 9 1 1 A 130 130 ILE C C 130 174.860 176.494 -1.634 1 1 1340 . 9 1 1 A 130 130 ILE CA C 130 60.740 60.356 0.384 1 1 1341 . 9 1 1 A 130 130 ILE CB C 130 41.440 38.634 2.806 1 1 1342 . 9 1 1 A 130 130 ILE N N 130 129.070 124.726 4.344 1 1 1343 . 9 1 1 A 131 131 GLY H H 131 9.924 8.772 1.152 1 1 1344 . 9 1 1 A 131 131 GLY HA2 H 131 3.768 3.473 0.295 1 1 1345 . 9 1 1 A 131 131 GLY HA3 H 131 3.337 3.856 -0.519 1 1 1346 . 9 1 1 A 131 131 GLY C C 131 174.590 174.336 0.254 1 1 1347 . 9 1 1 A 131 131 GLY CA C 131 46.700 47.208 -0.508 1 1 1348 . 9 1 1 A 131 131 GLY N N 131 116.470 118.184 -1.714 1 1 1349 . 9 1 1 A 132 132 LYS H H 132 7.141 8.587 -1.446 1 1 1350 . 9 1 1 A 132 132 LYS HA H 132 3.750 4.494 -0.744 1 1 1357 . 9 1 1 A 132 132 LYS C C 132 175.820 176.283 -0.463 1 1 1358 . 9 1 1 A 132 132 LYS CA C 132 57.550 55.904 1.646 1 1 1359 . 9 1 1 A 132 132 LYS CB C 132 33.300 33.827 -0.527 1 1 1360 . 9 1 1 A 132 132 LYS N N 132 122.960 121.539 1.421 1 1 1361 . 9 1 1 A 133 133 PHE H H 133 8.360 8.359 0.001 1 1 1362 . 9 1 1 A 133 133 PHE HA H 133 4.601 4.775 -0.174 1 1 1370 . 9 1 1 A 133 133 PHE C C 133 174.910 175.161 -0.251 1 1 1371 . 9 1 1 A 133 133 PHE CA C 133 58.600 58.411 0.189 1 1 1372 . 9 1 1 A 133 133 PHE CB C 133 40.510 40.182 0.328 1 1 1373 . 9 1 1 A 133 133 PHE N N 133 118.170 121.519 -3.349 1 1 1374 . 9 1 1 A 134 134 ARG H H 134 8.698 8.794 -0.096 1 1 1375 . 9 1 1 A 134 134 ARG HA H 134 5.212 5.266 -0.054 1 1 1383 . 9 1 1 A 134 134 ARG C C 134 175.150 174.802 0.348 1 1 1384 . 9 1 1 A 134 134 ARG CA C 134 55.060 54.632 0.428 1 1 1385 . 9 1 1 A 134 134 ARG CB C 134 33.550 33.065 0.485 1 1 1386 . 9 1 1 A 134 134 ARG N N 134 120.770 122.175 -1.405 1 1 1388 . 9 1 1 A 135 135 LEU H H 135 9.904 9.497 0.407 1 1 1389 . 9 1 1 A 135 135 LEU HA H 135 5.544 5.441 0.103 1 1 1399 . 9 1 1 A 135 135 LEU C C 135 175.260 175.670 -0.410 1 1 1400 . 9 1 1 A 135 135 LEU CA C 135 53.930 53.581 0.349 1 1 1401 . 9 1 1 A 135 135 LEU CB C 135 45.550 45.227 0.323 1 1 1402 . 9 1 1 A 135 135 LEU N N 135 127.130 127.791 -0.661 1 1 1403 . 9 1 1 A 136 136 VAL H H 136 9.350 9.489 -0.139 1 1 1404 . 9 1 1 A 136 136 VAL HA H 136 5.226 4.785 0.441 1 1 1412 . 9 1 1 A 136 136 VAL C C 136 174.050 174.285 -0.235 1 1 1413 . 9 1 1 A 136 136 VAL CA C 136 60.520 61.002 -0.482 1 1 1414 . 9 1 1 A 136 136 VAL CB C 136 34.890 33.347 1.543 1 1 1415 . 9 1 1 A 136 136 VAL N N 136 121.300 122.751 -1.451 1 1 1416 . 9 1 1 A 137 137 PHE H H 137 8.492 9.428 -0.936 1 1 1417 . 9 1 1 A 137 137 PHE HA H 137 5.007 5.107 -0.100 1 1 1424 . 9 1 1 A 137 137 PHE C C 137 173.340 173.956 -0.616 1 1 1425 . 9 1 1 A 137 137 PHE CA C 137 57.010 55.997 1.013 1 1 1426 . 9 1 1 A 137 137 PHE CB C 137 41.770 41.542 0.228 1 1 1427 . 9 1 1 A 137 137 PHE N N 137 127.550 128.757 -1.207 1 1 1428 . 9 1 1 A 138 138 LEU H H 138 8.535 8.700 -0.165 1 1 1429 . 9 1 1 A 138 138 LEU HA H 138 4.345 5.367 -1.022 1 1 1439 . 9 1 1 A 138 138 LEU C C 138 173.390 175.221 -1.831 1 1 1440 . 9 1 1 A 138 138 LEU CA C 138 53.680 53.444 0.236 1 1 1441 . 9 1 1 A 138 138 LEU CB C 138 45.210 45.765 -0.555 1 1 1442 . 9 1 1 A 138 138 LEU N N 138 128.590 128.239 0.351 1 1 1443 . 9 1 1 A 139 139 ALA H H 139 7.502 8.430 -0.928 1 1 1444 . 9 1 1 A 139 139 ALA HA H 139 3.952 4.435 -0.483 1 1 1448 . 9 1 1 A 139 139 ALA C C 139 178.010 177.159 0.851 1 1 1449 . 9 1 1 A 139 139 ALA CA C 139 51.650 51.457 0.193 1 1 1450 . 9 1 1 A 139 139 ALA CB C 139 20.700 19.606 1.094 1 1 1451 . 9 1 1 A 139 139 ALA N N 139 123.250 125.657 -2.407 1 1 1452 . 9 1 1 A 140 140 GLY H H 140 7.968 8.811 -0.843 1 1 1453 . 9 1 1 A 140 140 GLY HA2 H 140 4.202 4.058 0.144 1 1 1454 . 9 1 1 A 140 140 GLY HA3 H 140 3.595 4.069 -0.474 1 1 1455 . 9 1 1 A 140 140 GLY C C 140 171.240 173.600 -2.360 1 1 1456 . 9 1 1 A 140 140 GLY CA C 140 44.710 44.969 -0.259 1 1 1457 . 9 1 1 A 140 140 GLY N N 140 108.040 109.952 -1.912 1 1 1458 . 9 1 1 A 141 141 PRO HA H 141 4.460 4.811 -0.351 1 1 1463 . 9 1 1 A 141 141 PRO C C 141 176.150 175.745 0.405 1 1 1464 . 9 1 1 A 141 141 PRO CA C 141 63.230 62.611 0.619 1 1 1465 . 9 1 1 A 141 141 PRO CB C 141 32.370 32.447 -0.077 1 1 1466 . 9 1 1 A 142 142 ALA H H 142 8.496 8.503 -0.007 1 1 1467 . 9 1 1 A 142 142 ALA HA H 142 4.363 4.691 -0.328 1 1 1471 . 9 1 1 A 142 142 ALA C C 142 177.320 176.188 1.132 1 1 1472 . 9 1 1 A 142 142 ALA CA C 142 52.740 51.817 0.923 1 1 1473 . 9 1 1 A 142 142 ALA CB C 142 19.780 19.030 0.750 1 1 1474 . 9 1 1 A 142 142 ALA N N 142 124.080 123.413 0.667 1 1 4 . 10 1 1 A 2 2 SER H H 2 8.404 8.699 -0.295 1 1 5 . 10 1 1 A 2 2 SER HA H 2 4.430 4.868 -0.438 1 1 8 . 10 1 1 A 2 2 SER C C 2 174.220 172.524 1.696 1 1 9 . 10 1 1 A 2 2 SER CA C 2 58.650 56.332 2.318 1 1 10 . 10 1 1 A 2 2 SER CB C 2 64.280 65.055 -0.775 1 1 11 . 10 1 1 A 2 2 SER N N 2 116.880 115.779 1.101 1 1 12 . 10 1 1 A 3 3 ASP H H 3 8.314 8.638 -0.324 1 1 13 . 10 1 1 A 3 3 ASP HA H 3 4.594 4.904 -0.310 1 1 16 . 10 1 1 A 3 3 ASP C C 3 176.070 175.755 0.315 1 1 17 . 10 1 1 A 3 3 ASP CA C 3 54.580 53.786 0.794 1 1 18 . 10 1 1 A 3 3 ASP CB C 3 41.530 42.317 -0.787 1 1 19 . 10 1 1 A 3 3 ASP N N 3 122.210 121.972 0.238 1 1 20 . 10 1 1 A 4 4 ASN H H 4 8.326 8.553 -0.227 1 1 21 . 10 1 1 A 4 4 ASN HA H 4 4.748 4.796 -0.048 1 1 24 . 10 1 1 A 4 4 ASN C C 4 175.130 175.372 -0.242 1 1 25 . 10 1 1 A 4 4 ASN CA C 4 53.430 53.308 0.122 1 1 26 . 10 1 1 A 4 4 ASN CB C 4 38.920 38.764 0.156 1 1 27 . 10 1 1 A 4 4 ASN N N 4 118.670 119.888 -1.218 1 1 28 . 10 1 1 A 5 5 ASN H H 5 8.467 8.864 -0.397 1 1 29 . 10 1 1 A 5 5 ASN HA H 5 4.702 5.618 -0.916 1 1 32 . 10 1 1 A 5 5 ASN C C 5 175.700 174.912 0.788 1 1 33 . 10 1 1 A 5 5 ASN CA C 5 53.610 51.637 1.973 1 1 34 . 10 1 1 A 5 5 ASN CB C 5 39.090 41.919 -2.829 1 1 35 . 10 1 1 A 5 5 ASN N N 5 119.070 122.782 -3.712 1 1 36 . 10 1 1 A 6 6 GLY H H 6 8.333 8.578 -0.245 1 1 37 . 10 1 1 A 6 6 GLY HA2 H 6 3.960 4.161 -0.201 1 1 38 . 10 1 1 A 6 6 GLY HA3 H 6 3.960 4.162 -0.202 1 1 39 . 10 1 1 A 6 6 GLY C C 6 174.050 172.467 1.583 1 1 40 . 10 1 1 A 6 6 GLY CA C 6 45.390 44.484 0.906 1 1 41 . 10 1 1 A 6 6 GLY N N 6 109.000 107.633 1.367 1 1 42 . 10 1 1 A 7 7 THR H H 7 8.076 8.252 -0.176 1 1 43 . 10 1 1 A 7 7 THR HA H 7 4.591 5.068 -0.477 1 1 48 . 10 1 1 A 7 7 THR C C 7 172.840 172.318 0.522 1 1 49 . 10 1 1 A 7 7 THR CA C 7 60.050 57.883 2.167 1 1 50 . 10 1 1 A 7 7 THR N N 7 116.910 114.907 2.003 1 1 51 . 10 1 1 A 8 8 PRO HA H 8 4.414 4.554 -0.140 1 1 54 . 10 1 1 A 8 8 PRO C C 8 176.690 176.987 -0.297 1 1 55 . 10 1 1 A 8 8 PRO CA C 8 63.090 62.782 0.308 1 1 56 . 10 1 1 A 8 8 PRO CB C 8 32.290 32.113 0.177 1 1 57 . 10 1 1 A 9 9 GLU H H 9 8.467 8.575 -0.108 1 1 58 . 10 1 1 A 9 9 GLU HA H 9 4.527 4.645 -0.118 1 1 63 . 10 1 1 A 9 9 GLU C C 9 174.680 174.967 -0.287 1 1 64 . 10 1 1 A 9 9 GLU CA C 9 54.550 54.443 0.107 1 1 65 . 10 1 1 A 9 9 GLU N N 9 122.910 121.105 1.805 1 1 66 . 10 1 1 A 10 10 PRO HA H 10 4.371 4.513 -0.142 1 1 71 . 10 1 1 A 10 10 PRO C C 10 176.820 175.885 0.935 1 1 72 . 10 1 1 A 10 10 PRO CA C 10 63.300 63.259 0.041 1 1 73 . 10 1 1 A 10 10 PRO CB C 10 32.290 32.100 0.190 1 1 74 . 10 1 1 A 11 11 GLN H H 11 8.543 8.482 0.061 1 1 75 . 10 1 1 A 11 11 GLN HA H 11 4.334 4.949 -0.615 1 1 82 . 10 1 1 A 11 11 GLN C C 11 176.010 174.537 1.473 1 1 83 . 10 1 1 A 11 11 GLN CA C 11 55.710 54.149 1.561 1 1 84 . 10 1 1 A 11 11 GLN CB C 11 29.520 32.073 -2.553 1 1 85 . 10 1 1 A 11 11 GLN N N 11 121.100 121.837 -0.737 1 1 87 . 10 1 1 A 12 12 VAL H H 12 8.201 8.735 -0.534 1 1 88 . 10 1 1 A 12 12 VAL HA H 12 4.144 4.811 -0.667 1 1 96 . 10 1 1 A 12 12 VAL C C 12 175.940 174.812 1.128 1 1 97 . 10 1 1 A 12 12 VAL CA C 12 62.110 61.216 0.894 1 1 98 . 10 1 1 A 12 12 VAL CB C 12 32.800 33.395 -0.595 1 1 99 . 10 1 1 A 12 12 VAL N N 12 122.070 124.373 -2.303 1 1 100 . 10 1 1 A 13 13 GLU H H 13 8.593 8.579 0.014 1 1 101 . 10 1 1 A 13 13 GLU HA H 13 4.329 4.707 -0.378 1 1 106 . 10 1 1 A 13 13 GLU C C 13 176.720 174.755 1.965 1 1 107 . 10 1 1 A 13 13 GLU CA C 13 56.830 55.185 1.645 1 1 108 . 10 1 1 A 13 13 GLU CB C 13 30.860 33.886 -3.026 1 1 109 . 10 1 1 A 13 13 GLU N N 13 124.660 126.251 -1.591 1 1 138 . 10 1 1 A 17 17 VAL H H 17 8.458 8.696 -0.238 1 1 139 . 10 1 1 A 17 17 VAL HA H 17 4.183 4.317 -0.134 1 1 147 . 10 1 1 A 17 17 VAL C C 17 175.950 174.971 0.979 1 1 148 . 10 1 1 A 17 17 VAL CA C 17 63.780 62.720 1.060 1 1 149 . 10 1 1 A 17 17 VAL CB C 17 32.460 31.870 0.590 1 1 150 . 10 1 1 A 17 17 VAL N N 17 124.860 122.015 2.845 1 1 151 . 10 1 1 A 18 18 PHE H H 18 8.579 8.945 -0.366 1 1 152 . 10 1 1 A 18 18 PHE HA H 18 4.650 4.970 -0.320 1 1 160 . 10 1 1 A 18 18 PHE C C 18 173.450 174.128 -0.678 1 1 161 . 10 1 1 A 18 18 PHE CA C 18 57.480 56.542 0.938 1 1 162 . 10 1 1 A 18 18 PHE CB C 18 41.950 40.681 1.269 1 1 163 . 10 1 1 A 18 18 PHE N N 18 127.160 128.436 -1.276 1 1 164 . 10 1 1 A 19 19 ARG H H 19 7.920 8.688 -0.768 1 1 165 . 10 1 1 A 19 19 ARG HA H 19 4.196 4.404 -0.208 1 1 170 . 10 1 1 A 19 19 ARG C C 19 174.930 174.945 -0.015 1 1 171 . 10 1 1 A 19 19 ARG CA C 19 54.800 55.242 -0.442 1 1 172 . 10 1 1 A 19 19 ARG CB C 19 30.610 29.583 1.027 1 1 173 . 10 1 1 A 19 19 ARG N N 19 127.500 126.525 0.975 1 1 174 . 10 1 1 A 20 20 ALA H H 20 8.067 7.855 0.212 1 1 175 . 10 1 1 A 20 20 ALA HA H 20 3.729 4.130 -0.401 1 1 179 . 10 1 1 A 20 20 ALA C C 20 177.630 178.311 -0.681 1 1 180 . 10 1 1 A 20 20 ALA CA C 20 53.280 50.068 3.212 1 1 181 . 10 1 1 A 20 20 ALA CB C 20 18.860 19.797 -0.937 1 1 182 . 10 1 1 A 20 20 ALA N N 20 126.460 127.456 -0.996 1 1 183 . 10 1 1 A 21 21 ASP H H 21 8.355 8.627 -0.272 1 1 184 . 10 1 1 A 21 21 ASP HA H 21 4.350 4.333 0.017 1 1 187 . 10 1 1 A 21 21 ASP C C 21 176.720 177.530 -0.810 1 1 188 . 10 1 1 A 21 21 ASP CA C 21 54.480 56.261 -1.781 1 1 189 . 10 1 1 A 21 21 ASP CB C 21 40.350 40.315 0.035 1 1 190 . 10 1 1 A 21 21 ASP N N 21 117.850 116.310 1.540 1 1 191 . 10 1 1 A 22 22 LEU H H 22 7.705 7.600 0.105 1 1 192 . 10 1 1 A 22 22 LEU HA H 22 4.088 3.725 0.363 1 1 202 . 10 1 1 A 22 22 LEU C C 22 177.760 179.236 -1.476 1 1 203 . 10 1 1 A 22 22 LEU CA C 22 55.780 57.311 -1.531 1 1 204 . 10 1 1 A 22 22 LEU CB C 22 41.860 40.744 1.116 1 1 205 . 10 1 1 A 22 22 LEU N N 22 121.600 118.980 2.620 1 1 206 . 10 1 1 A 23 23 LEU H H 23 7.717 7.903 -0.186 1 1 207 . 10 1 1 A 23 23 LEU HA H 23 4.166 3.947 0.219 1 1 217 . 10 1 1 A 23 23 LEU C C 23 177.840 178.171 -0.331 1 1 218 . 10 1 1 A 23 23 LEU CA C 23 55.960 58.338 -2.378 1 1 219 . 10 1 1 A 23 23 LEU CB C 23 41.950 41.675 0.275 1 1 220 . 10 1 1 A 23 23 LEU N N 23 120.360 119.690 0.670 1 1 221 . 10 1 1 A 24 24 LYS H H 24 7.933 7.450 0.483 1 1 222 . 10 1 1 A 24 24 LYS HA H 24 4.174 3.956 0.218 1 1 229 . 10 1 1 A 24 24 LYS C C 24 177.190 178.411 -1.221 1 1 230 . 10 1 1 A 24 24 LYS CA C 24 57.050 59.224 -2.174 1 1 231 . 10 1 1 A 24 24 LYS CB C 24 32.880 31.550 1.330 1 1 232 . 10 1 1 A 24 24 LYS N N 24 121.120 118.720 2.400 1 1 233 . 10 1 1 A 25 25 GLU H H 25 8.160 7.593 0.567 1 1 234 . 10 1 1 A 25 25 GLU HA H 25 4.199 4.117 0.082 1 1 239 . 10 1 1 A 25 25 GLU C C 25 176.900 179.074 -2.174 1 1 240 . 10 1 1 A 25 25 GLU CA C 25 57.010 59.337 -2.327 1 1 241 . 10 1 1 A 25 25 GLU CB C 25 30.280 29.277 1.003 1 1 242 . 10 1 1 A 25 25 GLU N N 25 121.550 119.337 2.213 1 1 243 . 10 1 1 A 26 26 MET H H 26 8.270 8.553 -0.283 1 1 244 . 10 1 1 A 26 26 MET HA H 26 4.360 4.367 -0.007 1 1 252 . 10 1 1 A 26 26 MET C C 26 176.440 178.340 -1.900 1 1 253 . 10 1 1 A 26 26 MET CA C 26 56.180 57.912 -1.732 1 1 254 . 10 1 1 A 26 26 MET CB C 26 33.050 32.259 0.791 1 1 255 . 10 1 1 A 26 26 MET N N 26 120.730 117.987 2.743 1 1 256 . 10 1 1 A 27 27 GLU H H 27 8.297 7.722 0.575 1 1 257 . 10 1 1 A 27 27 GLU HA H 27 4.264 4.103 0.161 1 1 262 . 10 1 1 A 27 27 GLU C C 27 176.650 178.289 -1.639 1 1 263 . 10 1 1 A 27 27 GLU CA C 27 56.830 59.253 -2.423 1 1 264 . 10 1 1 A 27 27 GLU CB C 27 30.530 29.085 1.445 1 1 265 . 10 1 1 A 27 27 GLU N N 27 121.650 120.598 1.052 1 1 266 . 10 1 1 A 28 28 SER H H 28 8.279 7.656 0.623 1 1 267 . 10 1 1 A 28 28 SER HA H 28 4.473 4.368 0.105 1 1 270 . 10 1 1 A 28 28 SER C C 28 174.760 176.079 -1.319 1 1 271 . 10 1 1 A 28 28 SER CA C 28 58.460 60.769 -2.309 1 1 272 . 10 1 1 A 28 28 SER CB C 28 64.190 63.478 0.712 1 1 273 . 10 1 1 A 28 28 SER N N 28 116.610 117.337 -0.727 1 1 274 . 10 1 1 A 29 29 SER H H 29 8.443 7.743 0.700 1 1 275 . 10 1 1 A 29 29 SER HA H 29 4.541 4.198 0.343 1 1 278 . 10 1 1 A 29 29 SER C C 29 174.950 174.645 0.305 1 1 279 . 10 1 1 A 29 29 SER CA C 29 58.530 61.092 -2.562 1 1 280 . 10 1 1 A 29 29 SER CB C 29 64.190 63.223 0.967 1 1 281 . 10 1 1 A 29 29 SER N N 29 118.290 115.064 3.226 1 1 282 . 10 1 1 A 30 30 THR H H 30 8.220 7.574 0.646 1 1 283 . 10 1 1 A 30 30 THR HA H 30 4.372 4.246 0.126 1 1 288 . 10 1 1 A 30 30 THR C C 30 175.280 175.809 -0.529 1 1 289 . 10 1 1 A 30 30 THR CA C 30 62.260 64.142 -1.882 1 1 290 . 10 1 1 A 30 30 THR CB C 30 69.900 67.712 2.188 1 1 291 . 10 1 1 A 30 30 THR N N 30 115.600 114.622 0.978 1 1 292 . 10 1 1 A 31 31 GLY H H 31 8.401 8.251 0.150 1 1 293 . 10 1 1 A 31 31 GLY HA2 H 31 4.005 3.937 0.068 1 1 294 . 10 1 1 A 31 31 GLY HA3 H 31 4.005 3.939 0.066 1 1 295 . 10 1 1 A 31 31 GLY C C 31 174.160 174.498 -0.338 1 1 296 . 10 1 1 A 31 31 GLY CA C 31 45.470 46.819 -1.349 1 1 297 . 10 1 1 A 31 31 GLY N N 31 111.270 115.305 -4.035 1 1 298 . 10 1 1 A 32 32 THR H H 32 8.034 7.687 0.347 1 1 299 . 10 1 1 A 32 32 THR HA H 32 4.319 4.582 -0.263 1 1 304 . 10 1 1 A 32 32 THR C C 32 174.130 173.122 1.008 1 1 305 . 10 1 1 A 32 32 THR CA C 32 61.710 61.087 0.623 1 1 306 . 10 1 1 A 32 32 THR CB C 32 70.150 70.090 0.060 1 1 307 . 10 1 1 A 32 32 THR N N 32 113.770 114.400 -0.630 1 1 308 . 10 1 1 A 33 33 ALA H H 33 8.410 8.695 -0.285 1 1 309 . 10 1 1 A 33 33 ALA HA H 33 4.581 4.841 -0.260 1 1 313 . 10 1 1 A 33 33 ALA C C 33 175.490 175.818 -0.328 1 1 314 . 10 1 1 A 33 33 ALA CA C 33 50.680 48.932 1.748 1 1 315 . 10 1 1 A 33 33 ALA N N 33 128.320 129.407 -1.087 1 1 316 . 10 1 1 A 34 34 PRO HA H 34 4.389 5.066 -0.677 1 1 321 . 10 1 1 A 34 34 PRO C C 34 176.650 176.677 -0.027 1 1 322 . 10 1 1 A 34 34 PRO CA C 34 63.090 62.560 0.530 1 1 323 . 10 1 1 A 34 34 PRO CB C 34 32.210 32.328 -0.118 1 1 324 . 10 1 1 A 35 35 ALA H H 35 8.433 8.260 0.173 1 1 325 . 10 1 1 A 35 35 ALA HA H 35 4.275 4.456 -0.181 1 1 329 . 10 1 1 A 35 35 ALA C C 35 177.730 177.648 0.082 1 1 330 . 10 1 1 A 35 35 ALA CA C 35 52.590 51.549 1.041 1 1 331 . 10 1 1 A 35 35 ALA CB C 35 19.450 19.454 -0.004 1 1 332 . 10 1 1 A 35 35 ALA N N 35 124.330 124.453 -0.123 1 1 333 . 10 1 1 A 36 36 SER H H 36 8.259 8.650 -0.391 1 1 334 . 10 1 1 A 36 36 SER HA H 36 4.474 4.580 -0.106 1 1 337 . 10 1 1 A 36 36 SER C C 36 174.860 174.488 0.372 1 1 338 . 10 1 1 A 36 36 SER CA C 36 58.130 59.889 -1.759 1 1 339 . 10 1 1 A 36 36 SER CB C 36 64.190 63.320 0.870 1 1 340 . 10 1 1 A 36 36 SER N N 36 114.560 117.560 -3.000 1 1 341 . 10 1 1 A 37 37 THR H H 37 8.325 8.658 -0.333 1 1 342 . 10 1 1 A 37 37 THR HA H 37 4.281 5.530 -1.249 1 1 346 . 10 1 1 A 37 37 THR C C 37 175.110 173.553 1.557 1 1 347 . 10 1 1 A 37 37 THR CA C 37 62.260 59.919 2.341 1 1 348 . 10 1 1 A 37 37 THR CB C 37 70.150 70.534 -0.384 1 1 349 . 10 1 1 A 37 37 THR N N 37 115.300 117.527 -2.227 1 1 350 . 10 1 1 A 38 38 GLY H H 38 8.511 8.398 0.113 1 1 351 . 10 1 1 A 38 38 GLY HA2 H 38 3.975 4.225 -0.250 1 1 352 . 10 1 1 A 38 38 GLY HA3 H 38 3.809 4.225 -0.416 1 1 353 . 10 1 1 A 38 38 GLY C C 38 174.470 175.115 -0.645 1 1 354 . 10 1 1 A 38 38 GLY CA C 38 45.470 45.521 -0.051 1 1 355 . 10 1 1 A 38 38 GLY N N 38 110.440 108.661 1.779 1 1 356 . 10 1 1 A 39 39 ALA H H 39 8.245 8.522 -0.277 1 1 357 . 10 1 1 A 39 39 ALA HA H 39 4.164 4.263 -0.099 1 1 361 . 10 1 1 A 39 39 ALA C C 39 177.590 179.118 -1.528 1 1 362 . 10 1 1 A 39 39 ALA CA C 39 52.560 53.452 -0.892 1 1 363 . 10 1 1 A 39 39 ALA CB C 39 19.360 19.603 -0.243 1 1 364 . 10 1 1 A 39 39 ALA N N 39 124.080 122.716 1.364 1 1 365 . 10 1 1 A 40 40 GLU H H 40 8.721 8.746 -0.025 1 1 366 . 10 1 1 A 40 40 GLU HA H 40 4.083 4.176 -0.093 1 1 371 . 10 1 1 A 40 40 GLU C C 40 176.320 178.137 -1.817 1 1 372 . 10 1 1 A 40 40 GLU CA C 40 57.910 57.808 0.102 1 1 373 . 10 1 1 A 40 40 GLU CB C 40 29.520 28.269 1.251 1 1 374 . 10 1 1 A 40 40 GLU N N 40 118.270 116.163 2.107 1 1 375 . 10 1 1 A 41 41 ASN H H 41 8.226 7.854 0.372 1 1 376 . 10 1 1 A 41 41 ASN HA H 41 4.716 4.701 0.015 1 1 381 . 10 1 1 A 41 41 ASN C C 41 174.800 175.057 -0.257 1 1 382 . 10 1 1 A 41 41 ASN CA C 41 52.880 55.556 -2.676 1 1 383 . 10 1 1 A 41 41 ASN CB C 41 38.840 39.208 -0.368 1 1 384 . 10 1 1 A 41 41 ASN N N 41 117.620 119.031 -1.411 1 1 386 . 10 1 1 A 42 42 LEU H H 42 7.629 7.865 -0.236 1 1 387 . 10 1 1 A 42 42 LEU HA H 42 4.418 4.066 0.352 1 1 397 . 10 1 1 A 42 42 LEU C C 42 174.610 176.969 -2.359 1 1 398 . 10 1 1 A 42 42 LEU CA C 42 53.170 55.458 -2.288 1 1 399 . 10 1 1 A 42 42 LEU N N 42 123.010 118.706 4.304 1 1 400 . 10 1 1 A 43 43 PRO HA H 43 4.366 4.361 0.005 1 1 407 . 10 1 1 A 43 43 PRO C C 43 177.050 177.333 -0.283 1 1 408 . 10 1 1 A 43 43 PRO CA C 43 62.260 66.204 -3.944 1 1 409 . 10 1 1 A 43 43 PRO CB C 43 32.380 31.293 1.087 1 1 410 . 10 1 1 A 44 44 ALA H H 44 8.552 7.804 0.748 1 1 411 . 10 1 1 A 44 44 ALA HA H 44 4.223 4.518 -0.295 1 1 415 . 10 1 1 A 44 44 ALA C C 44 179.500 178.539 0.961 1 1 416 . 10 1 1 A 44 44 ALA CA C 44 53.250 51.580 1.670 1 1 417 . 10 1 1 A 44 44 ALA CB C 44 18.190 20.693 -2.503 1 1 418 . 10 1 1 A 44 44 ALA N N 44 125.070 117.676 7.394 1 1 419 . 10 1 1 A 45 45 GLY H H 45 8.897 8.906 -0.009 1 1 420 . 10 1 1 A 45 45 GLY HA2 H 45 4.214 3.900 0.314 1 1 421 . 10 1 1 A 45 45 GLY HA3 H 45 3.833 3.918 -0.085 1 1 422 . 10 1 1 A 45 45 GLY C C 45 173.720 173.477 0.243 1 1 423 . 10 1 1 A 45 45 GLY CA C 45 45.790 45.618 0.172 1 1 424 . 10 1 1 A 45 45 GLY N N 45 110.600 110.246 0.354 1 1 425 . 10 1 1 A 46 46 SER H H 46 7.690 8.029 -0.339 1 1 426 . 10 1 1 A 46 46 SER HA H 46 5.338 5.269 0.069 1 1 429 . 10 1 1 A 46 46 SER C C 46 172.990 173.155 -0.165 1 1 430 . 10 1 1 A 46 46 SER CA C 46 57.810 57.835 -0.025 1 1 431 . 10 1 1 A 46 46 SER CB C 46 66.960 66.423 0.537 1 1 432 . 10 1 1 A 46 46 SER N N 46 114.180 116.381 -2.201 1 1 433 . 10 1 1 A 47 47 ALA H H 47 8.435 8.720 -0.285 1 1 434 . 10 1 1 A 47 47 ALA HA H 47 4.338 4.754 -0.416 1 1 438 . 10 1 1 A 47 47 ALA C C 47 173.840 175.762 -1.922 1 1 439 . 10 1 1 A 47 47 ALA CA C 47 51.690 51.306 0.384 1 1 440 . 10 1 1 A 47 47 ALA CB C 47 24.570 23.012 1.558 1 1 441 . 10 1 1 A 47 47 ALA N N 47 120.900 123.278 -2.378 1 1 442 . 10 1 1 A 48 48 LEU H H 48 8.673 8.734 -0.061 1 1 443 . 10 1 1 A 48 48 LEU HA H 48 5.021 5.324 -0.303 1 1 453 . 10 1 1 A 48 48 LEU C C 48 174.680 175.506 -0.826 1 1 454 . 10 1 1 A 48 48 LEU CA C 48 53.350 52.529 0.821 1 1 455 . 10 1 1 A 48 48 LEU CB C 48 48.150 45.329 2.821 1 1 456 . 10 1 1 A 48 48 LEU N N 48 120.170 115.711 4.459 1 1 457 . 10 1 1 A 49 49 LEU H H 49 8.686 9.257 -0.571 1 1 458 . 10 1 1 A 49 49 LEU HA H 49 5.403 5.226 0.177 1 1 468 . 10 1 1 A 49 49 LEU C C 49 176.170 175.152 1.018 1 1 469 . 10 1 1 A 49 49 LEU CA C 49 52.810 52.953 -0.143 1 1 470 . 10 1 1 A 49 49 LEU CB C 49 46.310 44.393 1.917 1 1 471 . 10 1 1 A 49 49 LEU N N 49 120.170 120.963 -0.793 1 1 472 . 10 1 1 A 50 50 VAL H H 50 8.874 9.051 -0.177 1 1 473 . 10 1 1 A 50 50 VAL HA H 50 4.971 5.030 -0.059 1 1 481 . 10 1 1 A 50 50 VAL C C 50 176.740 174.349 2.391 1 1 482 . 10 1 1 A 50 50 VAL CA C 50 59.940 59.873 0.067 1 1 483 . 10 1 1 A 50 50 VAL CB C 50 34.970 35.258 -0.288 1 1 484 . 10 1 1 A 50 50 VAL N N 50 120.580 121.644 -1.064 1 1 485 . 10 1 1 A 51 51 VAL H H 51 8.984 9.137 -0.153 1 1 486 . 10 1 1 A 51 51 VAL HA H 51 4.155 4.023 0.132 1 1 494 . 10 1 1 A 51 51 VAL C C 51 176.050 176.045 0.005 1 1 495 . 10 1 1 A 51 51 VAL CA C 51 64.280 63.321 0.959 1 1 496 . 10 1 1 A 51 51 VAL CB C 51 31.280 31.175 0.105 1 1 497 . 10 1 1 A 51 51 VAL N N 51 125.710 128.777 -3.067 1 1 498 . 10 1 1 A 52 52 LYS H H 52 9.444 9.252 0.192 1 1 499 . 10 1 1 A 52 52 LYS HA H 52 4.450 4.321 0.129 1 1 506 . 10 1 1 A 52 52 LYS C C 52 176.150 175.785 0.365 1 1 507 . 10 1 1 A 52 52 LYS CA C 52 57.050 57.673 -0.623 1 1 508 . 10 1 1 A 52 52 LYS CB C 52 34.470 33.872 0.598 1 1 509 . 10 1 1 A 52 52 LYS N N 52 132.750 129.873 2.877 1 1 510 . 10 1 1 A 53 53 ARG H H 53 8.051 7.408 0.643 1 1 511 . 10 1 1 A 53 53 ARG HA H 53 4.685 4.753 -0.068 1 1 516 . 10 1 1 A 53 53 ARG C C 53 173.470 174.830 -1.360 1 1 517 . 10 1 1 A 53 53 ARG CA C 53 55.090 55.534 -0.444 1 1 518 . 10 1 1 A 53 53 ARG CB C 53 34.300 33.901 0.399 1 1 519 . 10 1 1 A 53 53 ARG N N 53 117.320 118.652 -1.332 1 1 520 . 10 1 1 A 54 54 GLY H H 54 8.377 8.416 -0.039 1 1 521 . 10 1 1 A 54 54 GLY HA2 H 54 4.215 4.201 0.014 1 1 522 . 10 1 1 A 54 54 GLY HA3 H 54 3.503 4.265 -0.762 1 1 523 . 10 1 1 A 54 54 GLY C C 54 171.870 174.382 -2.512 1 1 524 . 10 1 1 A 54 54 GLY CA C 54 43.770 44.523 -0.753 1 1 525 . 10 1 1 A 54 54 GLY N N 54 110.960 112.181 -1.221 1 1 526 . 10 1 1 A 55 55 PRO HA H 55 4.255 4.326 -0.071 1 1 531 . 10 1 1 A 55 55 PRO C C 55 175.940 177.518 -1.578 1 1 532 . 10 1 1 A 55 55 PRO CA C 55 64.390 64.577 -0.187 1 1 533 . 10 1 1 A 55 55 PRO CB C 55 31.360 31.961 -0.601 1 1 534 . 10 1 1 A 56 56 ASN H H 56 8.202 8.100 0.102 1 1 535 . 10 1 1 A 56 56 ASN HA H 56 4.685 4.777 -0.092 1 1 540 . 10 1 1 A 56 56 ASN C C 56 174.410 175.468 -1.058 1 1 541 . 10 1 1 A 56 56 ASN CA C 56 52.120 52.555 -0.435 1 1 542 . 10 1 1 A 56 56 ASN CB C 56 37.070 37.427 -0.357 1 1 543 . 10 1 1 A 56 56 ASN N N 56 114.760 113.422 1.338 1 1 545 . 10 1 1 A 57 57 ALA H H 57 7.283 7.127 0.156 1 1 546 . 10 1 1 A 57 57 ALA HA H 57 3.618 4.089 -0.471 1 1 550 . 10 1 1 A 57 57 ALA C C 57 178.090 178.378 -0.288 1 1 551 . 10 1 1 A 57 57 ALA CA C 57 54.480 53.494 0.986 1 1 552 . 10 1 1 A 57 57 ALA CB C 57 17.760 18.941 -1.181 1 1 553 . 10 1 1 A 57 57 ALA N N 57 120.380 124.027 -3.647 1 1 554 . 10 1 1 A 58 58 GLY H H 58 9.052 8.567 0.485 1 1 555 . 10 1 1 A 58 58 GLY HA2 H 58 4.449 4.000 0.449 1 1 556 . 10 1 1 A 58 58 GLY HA3 H 58 3.415 4.000 -0.585 1 1 557 . 10 1 1 A 58 58 GLY C C 58 174.610 174.310 0.300 1 1 558 . 10 1 1 A 58 58 GLY CA C 58 44.530 45.010 -0.480 1 1 559 . 10 1 1 A 58 58 GLY N N 58 112.180 110.627 1.553 1 1 560 . 10 1 1 A 59 59 ALA H H 59 8.171 7.326 0.845 1 1 561 . 10 1 1 A 59 59 ALA HA H 59 4.081 4.260 -0.179 1 1 565 . 10 1 1 A 59 59 ALA C C 59 175.220 176.713 -1.493 1 1 566 . 10 1 1 A 59 59 ALA CA C 59 53.170 51.828 1.342 1 1 567 . 10 1 1 A 59 59 ALA CB C 59 19.360 20.128 -0.768 1 1 568 . 10 1 1 A 59 59 ALA N N 59 124.650 123.757 0.893 1 1 569 . 10 1 1 A 60 60 ARG H H 60 7.751 8.745 -0.994 1 1 570 . 10 1 1 A 60 60 ARG HA H 60 5.105 5.343 -0.238 1 1 575 . 10 1 1 A 60 60 ARG C C 60 175.320 174.694 0.626 1 1 576 . 10 1 1 A 60 60 ARG CA C 60 54.150 54.296 -0.146 1 1 577 . 10 1 1 A 60 60 ARG CB C 60 34.130 33.771 0.359 1 1 578 . 10 1 1 A 60 60 ARG N N 60 116.920 119.903 -2.983 1 1 579 . 10 1 1 A 61 61 PHE H H 61 9.213 9.319 -0.106 1 1 580 . 10 1 1 A 61 61 PHE HA H 61 4.788 5.008 -0.220 1 1 587 . 10 1 1 A 61 61 PHE C C 61 173.930 174.271 -0.341 1 1 588 . 10 1 1 A 61 61 PHE CA C 61 56.500 56.833 -0.333 1 1 589 . 10 1 1 A 61 61 PHE CB C 61 41.860 42.023 -0.163 1 1 590 . 10 1 1 A 61 61 PHE N N 61 121.090 119.802 1.288 1 1 591 . 10 1 1 A 62 62 LEU H H 62 8.638 8.830 -0.192 1 1 592 . 10 1 1 A 62 62 LEU HA H 62 4.566 4.758 -0.192 1 1 602 . 10 1 1 A 62 62 LEU C C 62 176.570 174.817 1.753 1 1 603 . 10 1 1 A 62 62 LEU CA C 62 55.130 54.252 0.878 1 1 604 . 10 1 1 A 62 62 LEU CB C 62 43.620 43.016 0.604 1 1 605 . 10 1 1 A 62 62 LEU N N 62 125.630 126.393 -0.763 1 1 606 . 10 1 1 A 63 63 LEU H H 63 8.929 9.404 -0.475 1 1 607 . 10 1 1 A 63 63 LEU HA H 63 4.852 4.641 0.211 1 1 617 . 10 1 1 A 63 63 LEU C C 63 175.070 177.327 -2.257 1 1 618 . 10 1 1 A 63 63 LEU CA C 63 53.170 54.578 -1.408 1 1 619 . 10 1 1 A 63 63 LEU CB C 63 42.110 41.191 0.919 1 1 620 . 10 1 1 A 63 63 LEU N N 63 125.980 128.588 -2.608 1 1 621 . 10 1 1 A 64 64 ASP H H 64 8.601 8.884 -0.283 1 1 622 . 10 1 1 A 64 64 ASP HA H 64 4.736 4.846 -0.110 1 1 625 . 10 1 1 A 64 64 ASP C C 64 175.130 175.375 -0.245 1 1 626 . 10 1 1 A 64 64 ASP CA C 64 53.640 53.447 0.193 1 1 627 . 10 1 1 A 64 64 ASP CB C 64 41.020 40.549 0.471 1 1 628 . 10 1 1 A 64 64 ASP N N 64 120.910 120.729 0.181 1 1 629 . 10 1 1 A 65 65 GLN H H 65 7.497 7.473 0.024 1 1 630 . 10 1 1 A 65 65 GLN HA H 65 4.856 4.727 0.129 1 1 637 . 10 1 1 A 65 65 GLN C C 65 173.550 175.562 -2.012 1 1 638 . 10 1 1 A 65 65 GLN CA C 65 52.780 52.241 0.539 1 1 639 . 10 1 1 A 65 65 GLN N N 65 117.420 118.903 -1.483 1 1 641 . 10 1 1 A 66 66 PRO HA H 66 4.190 4.494 -0.304 1 1 648 . 10 1 1 A 66 66 PRO C C 66 177.400 176.531 0.869 1 1 649 . 10 1 1 A 66 66 PRO CA C 66 66.810 64.210 2.600 1 1 650 . 10 1 1 A 66 66 PRO CB C 66 32.370 31.905 0.465 1 1 651 . 10 1 1 A 67 67 THR H H 67 7.647 7.541 0.106 1 1 652 . 10 1 1 A 67 67 THR HA H 67 4.811 5.079 -0.268 1 1 657 . 10 1 1 A 67 67 THR C C 67 173.280 173.084 0.196 1 1 658 . 10 1 1 A 67 67 THR CA C 67 62.830 61.192 1.638 1 1 659 . 10 1 1 A 67 67 THR CB C 67 71.740 71.745 -0.005 1 1 660 . 10 1 1 A 67 67 THR N N 67 109.270 112.446 -3.176 1 1 661 . 10 1 1 A 68 68 THR H H 68 8.919 9.236 -0.317 1 1 662 . 10 1 1 A 68 68 THR HA H 68 4.968 5.226 -0.258 1 1 667 . 10 1 1 A 68 68 THR C C 68 175.090 173.846 1.244 1 1 668 . 10 1 1 A 68 68 THR CA C 68 61.820 61.669 0.151 1 1 669 . 10 1 1 A 68 68 THR CB C 68 70.730 72.292 -1.562 1 1 670 . 10 1 1 A 68 68 THR N N 68 125.610 121.306 4.304 1 1 671 . 10 1 1 A 69 69 THR H H 69 10.398 8.932 1.466 1 1 672 . 10 1 1 A 69 69 THR HA H 69 4.491 5.259 -0.768 1 1 677 . 10 1 1 A 69 69 THR C C 69 173.140 173.615 -0.475 1 1 678 . 10 1 1 A 69 69 THR CA C 69 61.790 61.124 0.666 1 1 679 . 10 1 1 A 69 69 THR CB C 69 70.820 72.234 -1.414 1 1 680 . 10 1 1 A 69 69 THR N N 69 121.520 120.275 1.245 1 1 681 . 10 1 1 A 70 70 ALA H H 70 8.722 9.248 -0.526 1 1 682 . 10 1 1 A 70 70 ALA HA H 70 5.696 5.552 0.144 1 1 686 . 10 1 1 A 70 70 ALA C C 70 175.840 177.131 -1.291 1 1 687 . 10 1 1 A 70 70 ALA CA C 70 50.030 50.401 -0.371 1 1 688 . 10 1 1 A 70 70 ALA CB C 70 22.300 22.541 -0.241 1 1 689 . 10 1 1 A 70 70 ALA N N 70 122.410 127.589 -5.179 1 1 690 . 10 1 1 A 71 71 GLY H H 71 8.430 8.087 0.343 1 1 691 . 10 1 1 A 71 71 GLY HA2 H 71 4.474 4.283 0.191 1 1 692 . 10 1 1 A 71 71 GLY HA3 H 71 3.903 4.309 -0.406 1 1 693 . 10 1 1 A 71 71 GLY C C 71 170.540 172.145 -1.605 1 1 694 . 10 1 1 A 71 71 GLY CA C 71 46.300 46.162 0.138 1 1 695 . 10 1 1 A 71 71 GLY N N 71 108.960 107.362 1.598 1 1 696 . 10 1 1 A 72 72 ARG H H 72 8.341 8.422 -0.081 1 1 697 . 10 1 1 A 72 72 ARG HA H 72 4.481 4.370 0.111 1 1 702 . 10 1 1 A 72 72 ARG C C 72 175.720 175.623 0.097 1 1 703 . 10 1 1 A 72 72 ARG CA C 72 54.800 55.676 -0.876 1 1 704 . 10 1 1 A 72 72 ARG CB C 72 32.540 31.123 1.417 1 1 705 . 10 1 1 A 72 72 ARG N N 72 120.930 119.280 1.650 1 1 706 . 10 1 1 A 73 73 HIS H H 73 9.295 8.715 0.580 1 1 707 . 10 1 1 A 73 73 HIS HA H 73 4.403 4.817 -0.414 1 1 712 . 10 1 1 A 73 73 HIS C C 73 176.860 175.760 1.100 1 1 713 . 10 1 1 A 73 73 HIS CA C 73 57.050 57.627 -0.577 1 1 714 . 10 1 1 A 73 73 HIS N N 73 125.290 116.390 8.900 1 1 715 . 10 1 1 A 74 74 PRO HA H 74 4.373 4.636 -0.263 1 1 722 . 10 1 1 A 74 74 PRO C C 74 177.590 177.664 -0.074 1 1 723 . 10 1 1 A 74 74 PRO CA C 74 64.930 64.266 0.664 1 1 724 . 10 1 1 A 74 74 PRO CB C 74 32.030 32.384 -0.354 1 1 725 . 10 1 1 A 75 75 GLU H H 75 10.575 8.751 1.824 1 1 726 . 10 1 1 A 75 75 GLU HA H 75 4.352 4.158 0.194 1 1 731 . 10 1 1 A 75 75 GLU C C 75 177.320 177.566 -0.246 1 1 732 . 10 1 1 A 75 75 GLU CA C 75 56.070 59.114 -3.044 1 1 733 . 10 1 1 A 75 75 GLU CB C 75 29.010 29.704 -0.694 1 1 734 . 10 1 1 A 75 75 GLU N N 75 119.840 119.071 0.769 1 1 735 . 10 1 1 A 76 76 SER H H 76 8.236 7.401 0.835 1 1 736 . 10 1 1 A 76 76 SER HA H 76 4.100 4.444 -0.344 1 1 739 . 10 1 1 A 76 76 SER C C 76 173.120 174.432 -1.312 1 1 740 . 10 1 1 A 76 76 SER CA C 76 60.160 58.962 1.198 1 1 741 . 10 1 1 A 76 76 SER CB C 76 65.530 64.361 1.169 1 1 742 . 10 1 1 A 76 76 SER N N 76 118.860 115.145 3.715 1 1 743 . 10 1 1 A 77 77 ASP H H 77 8.541 8.838 -0.297 1 1 744 . 10 1 1 A 77 77 ASP HA H 77 4.344 4.421 -0.077 1 1 747 . 10 1 1 A 77 77 ASP C C 77 177.590 175.637 1.953 1 1 748 . 10 1 1 A 77 77 ASP CA C 77 58.380 56.793 1.587 1 1 749 . 10 1 1 A 77 77 ASP CB C 77 42.110 40.845 1.265 1 1 750 . 10 1 1 A 77 77 ASP N N 77 126.720 122.703 4.017 1 1 751 . 10 1 1 A 78 78 ILE H H 78 8.571 8.312 0.259 1 1 752 . 10 1 1 A 78 78 ILE HA H 78 3.563 4.088 -0.525 1 1 762 . 10 1 1 A 78 78 ILE C C 78 172.930 174.883 -1.953 1 1 763 . 10 1 1 A 78 78 ILE CA C 78 60.880 60.242 0.638 1 1 764 . 10 1 1 A 78 78 ILE CB C 78 37.410 38.796 -1.386 1 1 765 . 10 1 1 A 78 78 ILE N N 78 120.210 118.560 1.650 1 1 766 . 10 1 1 A 79 79 PHE H H 79 8.018 9.069 -1.051 1 1 767 . 10 1 1 A 79 79 PHE HA H 79 5.018 4.874 0.144 1 1 775 . 10 1 1 A 79 79 PHE C C 79 174.130 174.115 0.015 1 1 776 . 10 1 1 A 79 79 PHE CA C 79 55.780 57.142 -1.362 1 1 777 . 10 1 1 A 79 79 PHE CB C 79 39.170 40.506 -1.336 1 1 778 . 10 1 1 A 79 79 PHE N N 79 127.300 128.776 -1.476 1 1 779 . 10 1 1 A 80 80 LEU H H 80 7.695 8.132 -0.437 1 1 780 . 10 1 1 A 80 80 LEU HA H 80 3.619 4.864 -1.245 1 1 790 . 10 1 1 A 80 80 LEU C C 80 173.720 174.448 -0.728 1 1 791 . 10 1 1 A 80 80 LEU CA C 80 52.340 53.027 -0.687 1 1 792 . 10 1 1 A 80 80 LEU CB C 80 41.770 45.392 -3.622 1 1 793 . 10 1 1 A 80 80 LEU N N 80 131.810 128.225 3.585 1 1 794 . 10 1 1 A 81 81 ASP H H 81 7.974 8.602 -0.628 1 1 795 . 10 1 1 A 81 81 ASP HA H 81 4.141 5.256 -1.115 1 1 798 . 10 1 1 A 81 81 ASP C C 81 175.130 174.144 0.986 1 1 799 . 10 1 1 A 81 81 ASP CA C 81 53.210 52.364 0.846 1 1 800 . 10 1 1 A 81 81 ASP CB C 81 39.930 43.734 -3.804 1 1 801 . 10 1 1 A 81 81 ASP N N 81 121.130 123.817 -2.687 1 1 802 . 10 1 1 A 82 82 ASP H H 82 7.583 8.428 -0.845 1 1 803 . 10 1 1 A 82 82 ASP HA H 82 4.859 5.111 -0.252 1 1 806 . 10 1 1 A 82 82 ASP C C 82 176.760 175.242 1.518 1 1 807 . 10 1 1 A 82 82 ASP CA C 82 54.980 52.930 2.050 1 1 808 . 10 1 1 A 82 82 ASP CB C 82 39.170 44.554 -5.384 1 1 809 . 10 1 1 A 82 82 ASP N N 82 121.540 125.231 -3.691 1 1 810 . 10 1 1 A 83 83 VAL H H 83 8.344 8.418 -0.074 1 1 811 . 10 1 1 A 83 83 VAL HA H 83 4.012 3.926 0.086 1 1 819 . 10 1 1 A 83 83 VAL C C 83 174.860 176.349 -1.489 1 1 820 . 10 1 1 A 83 83 VAL CA C 83 65.330 64.611 0.719 1 1 821 . 10 1 1 A 83 83 VAL CB C 83 31.530 32.276 -0.746 1 1 822 . 10 1 1 A 83 83 VAL N N 83 122.260 120.644 1.616 1 1 823 . 10 1 1 A 84 84 THR H H 84 8.268 7.632 0.636 1 1 824 . 10 1 1 A 84 84 THR HA H 84 4.540 4.848 -0.308 1 1 828 . 10 1 1 A 84 84 THR C C 84 175.360 172.997 2.363 1 1 829 . 10 1 1 A 84 84 THR CA C 84 63.810 61.441 2.369 1 1 830 . 10 1 1 A 84 84 THR CB C 84 70.900 70.604 0.296 1 1 831 . 10 1 1 A 84 84 THR N N 84 110.620 113.568 -2.948 1 1 832 . 10 1 1 A 85 85 VAL H H 85 8.579 8.894 -0.315 1 1 833 . 10 1 1 A 85 85 VAL HA H 85 4.254 4.600 -0.346 1 1 841 . 10 1 1 A 85 85 VAL C C 85 177.070 175.422 1.648 1 1 842 . 10 1 1 A 85 85 VAL CA C 85 61.930 60.431 1.499 1 1 843 . 10 1 1 A 85 85 VAL CB C 85 32.450 34.169 -1.719 1 1 844 . 10 1 1 A 85 85 VAL N N 85 126.860 128.509 -1.649 1 1 845 . 10 1 1 A 86 86 SER H H 86 11.668 8.828 2.840 1 1 846 . 10 1 1 A 86 86 SER HA H 86 5.203 4.498 0.705 1 1 849 . 10 1 1 A 86 86 SER C C 86 175.470 175.886 -0.416 1 1 850 . 10 1 1 A 86 86 SER CA C 86 61.600 58.175 3.425 1 1 851 . 10 1 1 A 86 86 SER CB C 86 64.270 64.099 0.171 1 1 852 . 10 1 1 A 86 86 SER N N 86 128.670 120.684 7.986 1 1 853 . 10 1 1 A 87 87 ARG H H 87 10.946 8.759 2.187 1 1 854 . 10 1 1 A 87 87 ARG HA H 87 5.179 4.070 1.109 1 1 862 . 10 1 1 A 87 87 ARG C C 87 177.110 176.113 0.997 1 1 863 . 10 1 1 A 87 87 ARG CA C 87 60.810 58.153 2.657 1 1 864 . 10 1 1 A 87 87 ARG CB C 87 29.010 30.118 -1.108 1 1 865 . 10 1 1 A 87 87 ARG N N 87 126.810 122.173 4.637 1 1 867 . 10 1 1 A 88 88 ARG H H 88 7.946 7.785 0.161 1 1 868 . 10 1 1 A 88 88 ARG HA H 88 4.459 4.727 -0.268 1 1 876 . 10 1 1 A 88 88 ARG C C 88 172.990 175.732 -2.742 1 1 877 . 10 1 1 A 88 88 ARG CA C 88 55.060 54.700 0.360 1 1 878 . 10 1 1 A 88 88 ARG CB C 88 29.770 33.296 -3.526 1 1 879 . 10 1 1 A 88 88 ARG N N 88 115.670 119.120 -3.450 1 1 881 . 10 1 1 A 89 89 HIS H H 89 7.613 9.227 -1.614 1 1 882 . 10 1 1 A 89 89 HIS HA H 89 4.437 4.588 -0.151 1 1 888 . 10 1 1 A 89 89 HIS C C 89 174.050 174.899 -0.849 1 1 889 . 10 1 1 A 89 89 HIS CA C 89 58.420 57.983 0.437 1 1 890 . 10 1 1 A 89 89 HIS CB C 89 32.620 31.870 0.750 1 1 891 . 10 1 1 A 89 89 HIS N N 89 124.000 125.060 -1.060 1 1 893 . 10 1 1 A 90 90 ALA H H 90 8.454 7.446 1.008 1 1 894 . 10 1 1 A 90 90 ALA HA H 90 5.529 4.737 0.792 1 1 898 . 10 1 1 A 90 90 ALA C C 90 176.260 175.122 1.138 1 1 899 . 10 1 1 A 90 90 ALA CA C 90 50.240 51.396 -1.156 1 1 900 . 10 1 1 A 90 90 ALA CB C 90 23.220 22.758 0.462 1 1 901 . 10 1 1 A 90 90 ALA N N 90 116.480 118.188 -1.708 1 1 902 . 10 1 1 A 91 91 GLU H H 91 9.216 9.140 0.076 1 1 903 . 10 1 1 A 91 91 GLU HA H 91 4.931 5.181 -0.250 1 1 908 . 10 1 1 A 91 91 GLU C C 91 173.910 174.553 -0.643 1 1 909 . 10 1 1 A 91 91 GLU CA C 91 54.690 54.804 -0.114 1 1 910 . 10 1 1 A 91 91 GLU CB C 91 34.720 32.519 2.201 1 1 911 . 10 1 1 A 91 91 GLU N N 91 118.140 118.647 -0.507 1 1 912 . 10 1 1 A 92 92 PHE H H 92 9.330 9.817 -0.487 1 1 913 . 10 1 1 A 92 92 PHE HA H 92 5.502 5.431 0.071 1 1 921 . 10 1 1 A 92 92 PHE C C 92 176.650 175.007 1.643 1 1 922 . 10 1 1 A 92 92 PHE CA C 92 56.760 56.589 0.171 1 1 923 . 10 1 1 A 92 92 PHE CB C 92 41.690 40.367 1.323 1 1 924 . 10 1 1 A 92 92 PHE N N 92 119.490 122.252 -2.762 1 1 925 . 10 1 1 A 93 93 ARG H H 93 9.846 9.412 0.434 1 1 926 . 10 1 1 A 93 93 ARG HA H 93 5.610 5.007 0.603 1 1 934 . 10 1 1 A 93 93 ARG C C 93 175.010 174.941 0.069 1 1 935 . 10 1 1 A 93 93 ARG CA C 93 54.580 54.923 -0.343 1 1 936 . 10 1 1 A 93 93 ARG CB C 93 34.220 32.857 1.363 1 1 937 . 10 1 1 A 93 93 ARG N N 93 127.300 123.708 3.592 1 1 939 . 10 1 1 A 94 94 ILE H H 94 8.521 9.328 -0.807 1 1 940 . 10 1 1 A 94 94 ILE HA H 94 4.410 5.022 -0.612 1 1 950 . 10 1 1 A 94 94 ILE C C 94 176.420 174.445 1.975 1 1 951 . 10 1 1 A 94 94 ILE CA C 94 61.130 59.971 1.159 1 1 952 . 10 1 1 A 94 94 ILE CB C 94 38.830 38.709 0.121 1 1 953 . 10 1 1 A 94 94 ILE N N 94 121.680 125.190 -3.510 1 1 954 . 10 1 1 A 95 95 ASN H H 95 8.847 8.638 0.209 1 1 955 . 10 1 1 A 95 95 ASN HA H 95 4.796 5.373 -0.577 1 1 960 . 10 1 1 A 95 95 ASN C C 95 174.430 174.382 0.048 1 1 961 . 10 1 1 A 95 95 ASN CA C 95 52.560 51.479 1.081 1 1 962 . 10 1 1 A 95 95 ASN CB C 95 40.510 40.915 -0.405 1 1 963 . 10 1 1 A 95 95 ASN N N 95 127.100 125.734 1.366 1 1 965 . 10 1 1 A 96 96 GLU H H 96 9.303 9.479 -0.176 1 1 966 . 10 1 1 A 96 96 GLU HA H 96 3.768 4.010 -0.242 1 1 971 . 10 1 1 A 96 96 GLU C C 96 176.280 176.449 -0.169 1 1 972 . 10 1 1 A 96 96 GLU CA C 96 57.150 57.523 -0.373 1 1 973 . 10 1 1 A 96 96 GLU CB C 96 27.590 27.900 -0.310 1 1 974 . 10 1 1 A 96 96 GLU N N 96 125.150 120.563 4.587 1 1 975 . 10 1 1 A 97 97 GLY H H 97 7.937 8.497 -0.560 1 1 976 . 10 1 1 A 97 97 GLY HA2 H 97 4.042 3.682 0.360 1 1 977 . 10 1 1 A 97 97 GLY HA3 H 97 3.450 3.751 -0.301 1 1 978 . 10 1 1 A 97 97 GLY C C 97 172.990 173.485 -0.495 1 1 979 . 10 1 1 A 97 97 GLY CA C 97 45.390 45.160 0.230 1 1 980 . 10 1 1 A 97 97 GLY N N 97 104.330 104.757 -0.427 1 1 981 . 10 1 1 A 98 98 GLU H H 98 7.557 8.186 -0.629 1 1 982 . 10 1 1 A 98 98 GLU HA H 98 4.591 4.526 0.065 1 1 987 . 10 1 1 A 98 98 GLU C C 98 174.530 175.499 -0.969 1 1 988 . 10 1 1 A 98 98 GLU CA C 98 54.770 54.476 0.294 1 1 989 . 10 1 1 A 98 98 GLU CB C 98 32.290 31.576 0.714 1 1 990 . 10 1 1 A 98 98 GLU N N 98 119.350 119.838 -0.488 1 1 991 . 10 1 1 A 99 99 PHE H H 99 9.412 9.063 0.349 1 1 992 . 10 1 1 A 99 99 PHE HA H 99 5.007 5.348 -0.341 1 1 999 . 10 1 1 A 99 99 PHE C C 99 174.050 174.795 -0.745 1 1 1000 . 10 1 1 A 99 99 PHE CA C 99 57.260 56.940 0.320 1 1 1001 . 10 1 1 A 99 99 PHE CB C 99 42.110 40.925 1.185 1 1 1002 . 10 1 1 A 99 99 PHE N N 99 122.550 120.914 1.636 1 1 1003 . 10 1 1 A 100 100 GLU H H 100 9.444 9.280 0.164 1 1 1004 . 10 1 1 A 100 100 GLU HA H 100 5.145 5.403 -0.258 1 1 1009 . 10 1 1 A 100 100 GLU C C 100 175.340 175.198 0.142 1 1 1010 . 10 1 1 A 100 100 GLU CA C 100 54.080 54.655 -0.575 1 1 1011 . 10 1 1 A 100 100 GLU CB C 100 34.720 33.276 1.444 1 1 1012 . 10 1 1 A 100 100 GLU N N 100 124.080 123.348 0.732 1 1 1013 . 10 1 1 A 101 101 VAL H H 101 8.726 9.175 -0.449 1 1 1014 . 10 1 1 A 101 101 VAL HA H 101 4.900 4.879 0.021 1 1 1022 . 10 1 1 A 101 101 VAL C C 101 172.510 174.415 -1.905 1 1 1023 . 10 1 1 A 101 101 VAL CA C 101 58.710 60.965 -2.255 1 1 1024 . 10 1 1 A 101 101 VAL CB C 101 33.550 33.846 -0.296 1 1 1025 . 10 1 1 A 101 101 VAL N N 101 124.500 122.891 1.609 1 1 1026 . 10 1 1 A 102 102 VAL H H 102 8.719 9.317 -0.598 1 1 1027 . 10 1 1 A 102 102 VAL HA H 102 4.578 4.742 -0.164 1 1 1035 . 10 1 1 A 102 102 VAL C C 102 175.380 174.880 0.500 1 1 1036 . 10 1 1 A 102 102 VAL CA C 102 60.370 60.653 -0.283 1 1 1037 . 10 1 1 A 102 102 VAL CB C 102 36.060 34.490 1.570 1 1 1038 . 10 1 1 A 102 102 VAL N N 102 125.900 127.610 -1.710 1 1 1039 . 10 1 1 A 103 103 ASP H H 103 8.626 9.558 -0.932 1 1 1040 . 10 1 1 A 103 103 ASP HA H 103 4.856 4.648 0.208 1 1 1043 . 10 1 1 A 103 103 ASP C C 103 177.300 176.760 0.540 1 1 1044 . 10 1 1 A 103 103 ASP CA C 103 54.580 54.396 0.184 1 1 1045 . 10 1 1 A 103 103 ASP CB C 103 44.210 41.394 2.816 1 1 1046 . 10 1 1 A 103 103 ASP N N 103 127.250 127.103 0.147 1 1 1047 . 10 1 1 A 104 104 VAL H H 104 7.890 8.879 -0.989 1 1 1048 . 10 1 1 A 104 104 VAL HA H 104 4.527 4.539 -0.012 1 1 1056 . 10 1 1 A 104 104 VAL C C 104 174.490 175.521 -1.031 1 1 1057 . 10 1 1 A 104 104 VAL CA C 104 60.630 60.746 -0.116 1 1 1058 . 10 1 1 A 104 104 VAL CB C 104 29.350 33.100 -3.750 1 1 1059 . 10 1 1 A 104 104 VAL N N 104 119.270 120.438 -1.168 1 1 1060 . 10 1 1 A 105 105 GLY H H 105 8.690 7.148 1.542 1 1 1061 . 10 1 1 A 105 105 GLY HA2 H 105 4.270 3.978 0.292 1 1 1062 . 10 1 1 A 105 105 GLY HA3 H 105 3.685 4.030 -0.345 1 1 1063 . 10 1 1 A 105 105 GLY C C 105 175.490 174.184 1.306 1 1 1064 . 10 1 1 A 105 105 GLY CA C 105 45.650 45.284 0.366 1 1 1065 . 10 1 1 A 105 105 GLY N N 105 111.790 110.116 1.674 1 1 1066 . 10 1 1 A 106 106 SER H H 106 9.218 8.774 0.444 1 1 1067 . 10 1 1 A 106 106 SER HA H 106 3.894 4.463 -0.569 1 1 1070 . 10 1 1 A 106 106 SER C C 106 174.590 174.692 -0.102 1 1 1071 . 10 1 1 A 106 106 SER CA C 106 58.600 58.746 -0.146 1 1 1072 . 10 1 1 A 106 106 SER CB C 106 61.250 63.149 -1.899 1 1 1073 . 10 1 1 A 106 106 SER N N 106 121.540 119.602 1.938 1 1 1074 . 10 1 1 A 107 107 LEU H H 107 8.018 7.725 0.293 1 1 1075 . 10 1 1 A 107 107 LEU HA H 107 4.240 4.052 0.188 1 1 1085 . 10 1 1 A 107 107 LEU C C 107 179.420 178.444 0.976 1 1 1086 . 10 1 1 A 107 107 LEU CA C 107 57.590 58.041 -0.451 1 1 1087 . 10 1 1 A 107 107 LEU CB C 107 42.360 41.960 0.400 1 1 1088 . 10 1 1 A 107 107 LEU N N 107 121.520 122.918 -1.398 1 1 1089 . 10 1 1 A 108 108 ASN H H 108 8.799 7.976 0.823 1 1 1090 . 10 1 1 A 108 108 ASN HA H 108 4.986 5.111 -0.125 1 1 1093 . 10 1 1 A 108 108 ASN C C 108 175.950 175.736 0.214 1 1 1094 . 10 1 1 A 108 108 ASN CA C 108 54.440 53.427 1.013 1 1 1095 . 10 1 1 A 108 108 ASN CB C 108 41.180 39.772 1.408 1 1 1096 . 10 1 1 A 108 108 ASN N N 108 111.800 114.913 -3.113 1 1 1097 . 10 1 1 A 109 109 GLY H H 109 8.025 7.521 0.504 1 1 1098 . 10 1 1 A 109 109 GLY HA2 H 109 4.237 3.913 0.324 1 1 1099 . 10 1 1 A 109 109 GLY HA3 H 109 3.621 3.980 -0.359 1 1 1100 . 10 1 1 A 109 109 GLY C C 109 173.820 173.489 0.331 1 1 1101 . 10 1 1 A 109 109 GLY CA C 109 44.340 44.719 -0.379 1 1 1102 . 10 1 1 A 109 109 GLY N N 109 110.600 106.830 3.770 1 1 1103 . 10 1 1 A 110 110 THR H H 110 8.770 8.605 0.165 1 1 1104 . 10 1 1 A 110 110 THR HA H 110 4.797 4.902 -0.105 1 1 1109 . 10 1 1 A 110 110 THR C C 110 172.570 173.902 -1.332 1 1 1110 . 10 1 1 A 110 110 THR CA C 110 64.540 63.359 1.181 1 1 1111 . 10 1 1 A 110 110 THR CB C 110 70.230 69.282 0.948 1 1 1112 . 10 1 1 A 110 110 THR N N 110 121.240 118.428 2.812 1 1 1113 . 10 1 1 A 111 111 TYR H H 111 8.272 9.190 -0.918 1 1 1114 . 10 1 1 A 111 111 TYR HA H 111 5.155 5.182 -0.027 1 1 1121 . 10 1 1 A 111 111 TYR C C 111 175.860 175.080 0.780 1 1 1122 . 10 1 1 A 111 111 TYR CA C 111 55.820 56.745 -0.925 1 1 1123 . 10 1 1 A 111 111 TYR CB C 111 41.100 42.654 -1.554 1 1 1124 . 10 1 1 A 111 111 TYR N N 111 123.680 125.707 -2.027 1 1 1125 . 10 1 1 A 112 112 VAL H H 112 9.017 9.101 -0.084 1 1 1126 . 10 1 1 A 112 112 VAL HA H 112 4.951 4.576 0.375 1 1 1134 . 10 1 1 A 112 112 VAL C C 112 176.780 175.984 0.796 1 1 1135 . 10 1 1 A 112 112 VAL CA C 112 61.130 60.897 0.233 1 1 1136 . 10 1 1 A 112 112 VAL CB C 112 32.870 34.052 -1.182 1 1 1137 . 10 1 1 A 112 112 VAL N N 112 121.300 122.380 -1.080 1 1 1138 . 10 1 1 A 113 113 ASN H H 113 10.285 9.948 0.337 1 1 1139 . 10 1 1 A 113 113 ASN HA H 113 4.483 4.421 0.062 1 1 1144 . 10 1 1 A 113 113 ASN C C 113 174.590 174.357 0.233 1 1 1145 . 10 1 1 A 113 113 ASN CA C 113 55.160 54.752 0.408 1 1 1146 . 10 1 1 A 113 113 ASN CB C 113 37.240 36.839 0.401 1 1 1147 . 10 1 1 A 113 113 ASN N N 113 129.510 127.402 2.108 1 1 1149 . 10 1 1 A 114 114 ARG H H 114 9.459 8.599 0.860 1 1 1150 . 10 1 1 A 114 114 ARG HA H 114 3.659 3.981 -0.322 1 1 1158 . 10 1 1 A 114 114 ARG C C 114 174.900 174.906 -0.006 1 1 1159 . 10 1 1 A 114 114 ARG CA C 114 58.280 57.801 0.479 1 1 1160 . 10 1 1 A 114 114 ARG CB C 114 27.250 27.753 -0.503 1 1 1161 . 10 1 1 A 114 114 ARG N N 114 106.570 108.641 -2.071 1 1 1163 . 10 1 1 A 115 115 GLU H H 115 7.827 7.752 0.075 1 1 1164 . 10 1 1 A 115 115 GLU HA H 115 5.153 4.785 0.368 1 1 1169 . 10 1 1 A 115 115 GLU C C 115 173.950 173.899 0.051 1 1 1170 . 10 1 1 A 115 115 GLU CA C 115 52.990 52.617 0.373 1 1 1171 . 10 1 1 A 115 115 GLU N N 115 119.780 118.532 1.248 1 1 1172 . 10 1 1 A 116 116 PRO HA H 116 3.983 3.431 0.552 1 1 1177 . 10 1 1 A 116 116 PRO C C 116 177.780 175.012 2.768 1 1 1178 . 10 1 1 A 116 116 PRO CA C 116 62.910 62.512 0.398 1 1 1179 . 10 1 1 A 116 116 PRO CB C 116 31.200 31.458 -0.258 1 1 1180 . 10 1 1 A 117 117 ARG H H 117 8.414 8.114 0.300 1 1 1181 . 10 1 1 A 117 117 ARG HA H 117 4.699 4.542 0.157 1 1 1189 . 10 1 1 A 117 117 ARG C C 117 175.260 174.978 0.282 1 1 1190 . 10 1 1 A 117 117 ARG CA C 117 52.990 55.028 -2.038 1 1 1191 . 10 1 1 A 117 117 ARG CB C 117 24.560 32.904 -8.344 1 1 1192 . 10 1 1 A 117 117 ARG N N 117 121.900 123.350 -1.450 1 1 1194 . 10 1 1 A 118 118 ASN H H 118 8.741 8.647 0.094 1 1 1195 . 10 1 1 A 118 118 ASN HA H 118 4.731 4.886 -0.155 1 1 1200 . 10 1 1 A 118 118 ASN C C 118 175.220 175.298 -0.078 1 1 1201 . 10 1 1 A 118 118 ASN CA C 118 55.090 54.190 0.900 1 1 1202 . 10 1 1 A 118 118 ASN CB C 118 38.920 40.567 -1.647 1 1 1203 . 10 1 1 A 118 118 ASN N N 118 120.190 121.521 -1.331 1 1 1205 . 10 1 1 A 119 119 ALA H H 119 7.372 7.769 -0.397 1 1 1206 . 10 1 1 A 119 119 ALA HA H 119 5.319 5.002 0.317 1 1 1210 . 10 1 1 A 119 119 ALA C C 119 176.720 175.140 1.580 1 1 1211 . 10 1 1 A 119 119 ALA CA C 119 52.120 50.503 1.617 1 1 1212 . 10 1 1 A 119 119 ALA CB C 119 21.460 22.162 -0.702 1 1 1213 . 10 1 1 A 119 119 ALA N N 119 120.380 119.585 0.795 1 1 1214 . 10 1 1 A 120 120 GLN H H 120 8.787 8.656 0.131 1 1 1215 . 10 1 1 A 120 120 GLN HA H 120 4.505 4.691 -0.186 1 1 1222 . 10 1 1 A 120 120 GLN C C 120 174.380 173.679 0.701 1 1 1223 . 10 1 1 A 120 120 GLN CA C 120 56.030 54.863 1.167 1 1 1224 . 10 1 1 A 120 120 GLN CB C 120 32.790 32.629 0.161 1 1 1225 . 10 1 1 A 120 120 GLN N N 120 121.180 121.342 -0.162 1 1 1227 . 10 1 1 A 121 121 VAL H H 121 8.692 8.906 -0.214 1 1 1228 . 10 1 1 A 121 121 VAL HA H 121 4.258 4.688 -0.430 1 1 1236 . 10 1 1 A 121 121 VAL C C 121 176.510 174.663 1.847 1 1 1237 . 10 1 1 A 121 121 VAL CA C 121 64.140 61.679 2.461 1 1 1238 . 10 1 1 A 121 121 VAL CB C 121 31.700 32.673 -0.973 1 1 1239 . 10 1 1 A 121 121 VAL N N 121 129.930 126.666 3.264 1 1 1240 . 10 1 1 A 122 122 MET H H 122 8.924 9.297 -0.373 1 1 1241 . 10 1 1 A 122 122 MET HA H 122 4.419 4.871 -0.452 1 1 1249 . 10 1 1 A 122 122 MET C C 122 174.380 175.106 -0.726 1 1 1250 . 10 1 1 A 122 122 MET CA C 122 55.740 54.016 1.724 1 1 1251 . 10 1 1 A 122 122 MET CB C 122 35.140 34.227 0.913 1 1 1252 . 10 1 1 A 122 122 MET N N 122 129.560 127.572 1.988 1 1 1253 . 10 1 1 A 123 123 GLN H H 123 9.002 8.760 0.242 1 1 1254 . 10 1 1 A 123 123 GLN HA H 123 4.823 4.972 -0.149 1 1 1261 . 10 1 1 A 123 123 GLN C C 123 175.530 175.388 0.142 1 1 1262 . 10 1 1 A 123 123 GLN CA C 123 53.570 54.504 -0.934 1 1 1263 . 10 1 1 A 123 123 GLN CB C 123 32.290 32.446 -0.156 1 1 1264 . 10 1 1 A 123 123 GLN N N 123 119.810 125.208 -5.398 1 1 1266 . 10 1 1 A 124 124 THR H H 124 9.036 8.630 0.406 1 1 1267 . 10 1 1 A 124 124 THR HA H 124 4.208 4.314 -0.106 1 1 1272 . 10 1 1 A 124 124 THR C C 124 175.300 175.648 -0.348 1 1 1273 . 10 1 1 A 124 124 THR CA C 124 65.510 63.882 1.628 1 1 1274 . 10 1 1 A 124 124 THR CB C 124 69.560 68.698 0.862 1 1 1275 . 10 1 1 A 124 124 THR N N 124 119.570 116.930 2.640 1 1 1276 . 10 1 1 A 125 125 GLY H H 125 9.921 9.413 0.508 1 1 1277 . 10 1 1 A 125 125 GLY HA2 H 125 4.552 4.031 0.521 1 1 1278 . 10 1 1 A 125 125 GLY HA3 H 125 3.480 4.031 -0.551 1 1 1279 . 10 1 1 A 125 125 GLY C C 125 174.650 174.219 0.431 1 1 1280 . 10 1 1 A 125 125 GLY CA C 125 44.710 45.020 -0.310 1 1 1281 . 10 1 1 A 125 125 GLY N N 125 117.920 116.775 1.145 1 1 1282 . 10 1 1 A 126 126 ASP H H 126 8.638 8.146 0.492 1 1 1283 . 10 1 1 A 126 126 ASP HA H 126 4.876 4.693 0.183 1 1 1286 . 10 1 1 A 126 126 ASP C C 126 174.650 175.618 -0.968 1 1 1287 . 10 1 1 A 126 126 ASP CA C 126 56.140 53.857 2.283 1 1 1288 . 10 1 1 A 126 126 ASP CB C 126 41.690 42.322 -0.632 1 1 1289 . 10 1 1 A 126 126 ASP N N 126 123.190 122.391 0.799 1 1 1290 . 10 1 1 A 127 127 GLU H H 127 8.316 8.855 -0.539 1 1 1291 . 10 1 1 A 127 127 GLU HA H 127 5.341 5.064 0.277 1 1 1296 . 10 1 1 A 127 127 GLU C C 127 175.990 175.116 0.874 1 1 1297 . 10 1 1 A 127 127 GLU CA C 127 54.440 54.822 -0.382 1 1 1298 . 10 1 1 A 127 127 GLU CB C 127 32.790 33.051 -0.261 1 1 1299 . 10 1 1 A 127 127 GLU N N 127 118.480 123.725 -5.245 1 1 1300 . 10 1 1 A 128 128 ILE H H 128 9.910 9.440 0.470 1 1 1301 . 10 1 1 A 128 128 ILE HA H 128 5.334 4.788 0.546 1 1 1311 . 10 1 1 A 128 128 ILE C C 128 174.700 174.591 0.109 1 1 1312 . 10 1 1 A 128 128 ILE CA C 128 59.470 60.170 -0.700 1 1 1313 . 10 1 1 A 128 128 ILE CB C 128 40.600 39.693 0.907 1 1 1314 . 10 1 1 A 128 128 ILE N N 128 128.810 124.773 4.037 1 1 1315 . 10 1 1 A 129 129 GLN H H 129 9.502 9.526 -0.024 1 1 1316 . 10 1 1 A 129 129 GLN HA H 129 5.406 4.983 0.423 1 1 1323 . 10 1 1 A 129 129 GLN C C 129 174.950 174.626 0.324 1 1 1324 . 10 1 1 A 129 129 GLN CA C 129 54.800 54.402 0.398 1 1 1325 . 10 1 1 A 129 129 GLN CB C 129 30.690 30.876 -0.186 1 1 1326 . 10 1 1 A 129 129 GLN N N 129 129.270 127.215 2.055 1 1 1328 . 10 1 1 A 130 130 ILE H H 130 8.498 8.833 -0.335 1 1 1329 . 10 1 1 A 130 130 ILE HA H 130 4.116 4.261 -0.145 1 1 1339 . 10 1 1 A 130 130 ILE C C 130 174.860 175.646 -0.786 1 1 1340 . 10 1 1 A 130 130 ILE CA C 130 60.740 59.736 1.004 1 1 1341 . 10 1 1 A 130 130 ILE CB C 130 41.440 39.740 1.700 1 1 1342 . 10 1 1 A 130 130 ILE N N 130 129.070 127.565 1.505 1 1 1343 . 10 1 1 A 131 131 GLY H H 131 9.924 8.820 1.104 1 1 1344 . 10 1 1 A 131 131 GLY HA2 H 131 3.768 3.636 0.132 1 1 1345 . 10 1 1 A 131 131 GLY HA3 H 131 3.337 3.749 -0.412 1 1 1346 . 10 1 1 A 131 131 GLY C C 131 174.590 174.553 0.037 1 1 1347 . 10 1 1 A 131 131 GLY CA C 131 46.700 47.171 -0.471 1 1 1348 . 10 1 1 A 131 131 GLY N N 131 116.470 117.188 -0.718 1 1 1349 . 10 1 1 A 132 132 LYS H H 132 7.141 8.422 -1.281 1 1 1350 . 10 1 1 A 132 132 LYS HA H 132 3.750 4.402 -0.652 1 1 1357 . 10 1 1 A 132 132 LYS C C 132 175.820 175.953 -0.133 1 1 1358 . 10 1 1 A 132 132 LYS CA C 132 57.550 55.782 1.768 1 1 1359 . 10 1 1 A 132 132 LYS CB C 132 33.300 33.525 -0.225 1 1 1360 . 10 1 1 A 132 132 LYS N N 132 122.960 125.038 -2.078 1 1 1361 . 10 1 1 A 133 133 PHE H H 133 8.360 7.418 0.942 1 1 1362 . 10 1 1 A 133 133 PHE HA H 133 4.601 5.292 -0.691 1 1 1370 . 10 1 1 A 133 133 PHE C C 133 174.910 174.108 0.802 1 1 1371 . 10 1 1 A 133 133 PHE CA C 133 58.600 54.938 3.662 1 1 1372 . 10 1 1 A 133 133 PHE CB C 133 40.510 42.566 -2.056 1 1 1373 . 10 1 1 A 133 133 PHE N N 133 118.170 116.062 2.108 1 1 1374 . 10 1 1 A 134 134 ARG H H 134 8.698 8.787 -0.089 1 1 1375 . 10 1 1 A 134 134 ARG HA H 134 5.212 5.471 -0.259 1 1 1383 . 10 1 1 A 134 134 ARG C C 134 175.150 174.870 0.280 1 1 1384 . 10 1 1 A 134 134 ARG CA C 134 55.060 54.775 0.285 1 1 1385 . 10 1 1 A 134 134 ARG CB C 134 33.550 33.793 -0.243 1 1 1386 . 10 1 1 A 134 134 ARG N N 134 120.770 118.997 1.773 1 1 1388 . 10 1 1 A 135 135 LEU H H 135 9.904 9.259 0.645 1 1 1389 . 10 1 1 A 135 135 LEU HA H 135 5.544 5.451 0.093 1 1 1399 . 10 1 1 A 135 135 LEU C C 135 175.260 175.632 -0.372 1 1 1400 . 10 1 1 A 135 135 LEU CA C 135 53.930 53.559 0.371 1 1 1401 . 10 1 1 A 135 135 LEU CB C 135 45.550 44.764 0.786 1 1 1402 . 10 1 1 A 135 135 LEU N N 135 127.130 124.440 2.690 1 1 1403 . 10 1 1 A 136 136 VAL H H 136 9.350 9.283 0.067 1 1 1404 . 10 1 1 A 136 136 VAL HA H 136 5.226 4.787 0.439 1 1 1412 . 10 1 1 A 136 136 VAL C C 136 174.050 174.368 -0.318 1 1 1413 . 10 1 1 A 136 136 VAL CA C 136 60.520 60.420 0.100 1 1 1414 . 10 1 1 A 136 136 VAL CB C 136 34.890 33.876 1.014 1 1 1415 . 10 1 1 A 136 136 VAL N N 136 121.300 123.049 -1.749 1 1 1416 . 10 1 1 A 137 137 PHE H H 137 8.492 9.240 -0.748 1 1 1417 . 10 1 1 A 137 137 PHE HA H 137 5.007 5.218 -0.211 1 1 1424 . 10 1 1 A 137 137 PHE C C 137 173.340 173.701 -0.361 1 1 1425 . 10 1 1 A 137 137 PHE CA C 137 57.010 56.227 0.783 1 1 1426 . 10 1 1 A 137 137 PHE CB C 137 41.770 41.256 0.514 1 1 1427 . 10 1 1 A 137 137 PHE N N 137 127.550 128.346 -0.796 1 1 1428 . 10 1 1 A 138 138 LEU H H 138 8.535 9.147 -0.612 1 1 1429 . 10 1 1 A 138 138 LEU HA H 138 4.345 5.051 -0.706 1 1 1439 . 10 1 1 A 138 138 LEU C C 138 173.390 174.781 -1.391 1 1 1440 . 10 1 1 A 138 138 LEU CA C 138 53.680 53.289 0.391 1 1 1441 . 10 1 1 A 138 138 LEU CB C 138 45.210 44.681 0.529 1 1 1442 . 10 1 1 A 138 138 LEU N N 138 128.590 128.196 0.394 1 1 1443 . 10 1 1 A 139 139 ALA H H 139 7.502 8.992 -1.490 1 1 1444 . 10 1 1 A 139 139 ALA HA H 139 3.952 5.133 -1.181 1 1 1448 . 10 1 1 A 139 139 ALA C C 139 178.010 176.731 1.279 1 1 1449 . 10 1 1 A 139 139 ALA CA C 139 51.650 50.388 1.262 1 1 1450 . 10 1 1 A 139 139 ALA CB C 139 20.700 21.120 -0.420 1 1 1451 . 10 1 1 A 139 139 ALA N N 139 123.250 127.050 -3.800 1 1 1452 . 10 1 1 A 140 140 GLY H H 140 7.968 8.428 -0.460 1 1 1453 . 10 1 1 A 140 140 GLY HA2 H 140 4.202 4.193 0.009 1 1 1454 . 10 1 1 A 140 140 GLY HA3 H 140 3.595 4.217 -0.622 1 1 1455 . 10 1 1 A 140 140 GLY C C 140 171.240 172.329 -1.089 1 1 1456 . 10 1 1 A 140 140 GLY CA C 140 44.710 46.053 -1.343 1 1 1457 . 10 1 1 A 140 140 GLY N N 140 108.040 109.580 -1.540 1 1 1458 . 10 1 1 A 141 141 PRO HA H 141 4.460 4.675 -0.215 1 1 1463 . 10 1 1 A 141 141 PRO C C 141 176.150 176.346 -0.196 1 1 1464 . 10 1 1 A 141 141 PRO CA C 141 63.230 62.595 0.635 1 1 1465 . 10 1 1 A 141 141 PRO CB C 141 32.370 33.169 -0.799 1 1 1466 . 10 1 1 A 142 142 ALA H H 142 8.496 8.311 0.185 1 1 1467 . 10 1 1 A 142 142 ALA HA H 142 4.363 4.662 -0.299 1 1 1471 . 10 1 1 A 142 142 ALA C C 142 177.320 177.641 -0.321 1 1 1472 . 10 1 1 A 142 142 ALA CA C 142 52.740 51.134 1.606 1 1 1473 . 10 1 1 A 142 142 ALA CB C 142 19.780 19.901 -0.121 1 1 1474 . 10 1 1 A 142 142 ALA N N 142 124.080 122.579 1.501 1 1 4 . 11 1 1 A 2 2 SER H H 2 8.404 8.826 -0.422 1 1 5 . 11 1 1 A 2 2 SER HA H 2 4.430 5.151 -0.721 1 1 8 . 11 1 1 A 2 2 SER C C 2 174.220 172.384 1.836 1 1 9 . 11 1 1 A 2 2 SER CA C 2 58.650 55.757 2.893 1 1 10 . 11 1 1 A 2 2 SER CB C 2 64.280 65.798 -1.518 1 1 11 . 11 1 1 A 2 2 SER N N 2 116.880 115.750 1.130 1 1 12 . 11 1 1 A 3 3 ASP H H 3 8.314 9.207 -0.893 1 1 13 . 11 1 1 A 3 3 ASP HA H 3 4.594 5.273 -0.679 1 1 16 . 11 1 1 A 3 3 ASP C C 3 176.070 174.113 1.957 1 1 17 . 11 1 1 A 3 3 ASP CA C 3 54.580 52.438 2.142 1 1 18 . 11 1 1 A 3 3 ASP CB C 3 41.530 45.161 -3.631 1 1 19 . 11 1 1 A 3 3 ASP N N 3 122.210 120.585 1.625 1 1 20 . 11 1 1 A 4 4 ASN H H 4 8.326 8.677 -0.351 1 1 21 . 11 1 1 A 4 4 ASN HA H 4 4.748 5.005 -0.257 1 1 24 . 11 1 1 A 4 4 ASN C C 4 175.130 174.883 0.247 1 1 25 . 11 1 1 A 4 4 ASN CA C 4 53.430 53.207 0.223 1 1 26 . 11 1 1 A 4 4 ASN CB C 4 38.920 39.696 -0.776 1 1 27 . 11 1 1 A 4 4 ASN N N 4 118.670 121.690 -3.020 1 1 28 . 11 1 1 A 5 5 ASN H H 5 8.467 8.658 -0.191 1 1 29 . 11 1 1 A 5 5 ASN HA H 5 4.702 4.905 -0.203 1 1 32 . 11 1 1 A 5 5 ASN C C 5 175.700 175.516 0.184 1 1 33 . 11 1 1 A 5 5 ASN CA C 5 53.610 52.230 1.380 1 1 34 . 11 1 1 A 5 5 ASN CB C 5 39.090 38.681 0.409 1 1 35 . 11 1 1 A 5 5 ASN N N 5 119.070 124.631 -5.561 1 1 36 . 11 1 1 A 6 6 GLY H H 6 8.333 8.739 -0.406 1 1 37 . 11 1 1 A 6 6 GLY HA2 H 6 3.960 4.065 -0.105 1 1 38 . 11 1 1 A 6 6 GLY HA3 H 6 3.960 4.065 -0.105 1 1 39 . 11 1 1 A 6 6 GLY C C 6 174.050 173.570 0.480 1 1 40 . 11 1 1 A 6 6 GLY CA C 6 45.390 44.435 0.955 1 1 41 . 11 1 1 A 6 6 GLY N N 6 109.000 112.397 -3.397 1 1 42 . 11 1 1 A 7 7 THR H H 7 8.076 8.349 -0.273 1 1 43 . 11 1 1 A 7 7 THR HA H 7 4.591 4.637 -0.046 1 1 48 . 11 1 1 A 7 7 THR C C 7 172.840 173.343 -0.503 1 1 49 . 11 1 1 A 7 7 THR CA C 7 60.050 59.501 0.549 1 1 50 . 11 1 1 A 7 7 THR N N 7 116.910 116.012 0.898 1 1 51 . 11 1 1 A 8 8 PRO HA H 8 4.414 4.550 -0.136 1 1 54 . 11 1 1 A 8 8 PRO C C 8 176.690 176.825 -0.135 1 1 55 . 11 1 1 A 8 8 PRO CA C 8 63.090 62.595 0.495 1 1 56 . 11 1 1 A 8 8 PRO CB C 8 32.290 31.762 0.528 1 1 57 . 11 1 1 A 9 9 GLU H H 9 8.467 8.569 -0.102 1 1 58 . 11 1 1 A 9 9 GLU HA H 9 4.527 4.712 -0.185 1 1 63 . 11 1 1 A 9 9 GLU C C 9 174.680 174.797 -0.117 1 1 64 . 11 1 1 A 9 9 GLU CA C 9 54.550 54.182 0.368 1 1 65 . 11 1 1 A 9 9 GLU N N 9 122.910 121.059 1.851 1 1 66 . 11 1 1 A 10 10 PRO HA H 10 4.371 4.589 -0.218 1 1 71 . 11 1 1 A 10 10 PRO C C 10 176.820 175.926 0.894 1 1 72 . 11 1 1 A 10 10 PRO CA C 10 63.300 62.533 0.767 1 1 73 . 11 1 1 A 10 10 PRO CB C 10 32.290 32.091 0.199 1 1 74 . 11 1 1 A 11 11 GLN H H 11 8.543 8.452 0.091 1 1 75 . 11 1 1 A 11 11 GLN HA H 11 4.334 4.893 -0.559 1 1 82 . 11 1 1 A 11 11 GLN C C 11 176.010 174.949 1.061 1 1 83 . 11 1 1 A 11 11 GLN CA C 11 55.710 55.257 0.453 1 1 84 . 11 1 1 A 11 11 GLN CB C 11 29.520 30.936 -1.416 1 1 85 . 11 1 1 A 11 11 GLN N N 11 121.100 120.014 1.086 1 1 87 . 11 1 1 A 12 12 VAL H H 12 8.201 8.441 -0.240 1 1 88 . 11 1 1 A 12 12 VAL HA H 12 4.144 4.822 -0.678 1 1 96 . 11 1 1 A 12 12 VAL C C 12 175.940 175.105 0.835 1 1 97 . 11 1 1 A 12 12 VAL CA C 12 62.110 61.133 0.977 1 1 98 . 11 1 1 A 12 12 VAL CB C 12 32.800 33.374 -0.574 1 1 99 . 11 1 1 A 12 12 VAL N N 12 122.070 121.305 0.765 1 1 100 . 11 1 1 A 13 13 GLU H H 13 8.593 8.455 0.138 1 1 101 . 11 1 1 A 13 13 GLU HA H 13 4.329 4.875 -0.546 1 1 106 . 11 1 1 A 13 13 GLU C C 13 176.720 175.897 0.823 1 1 107 . 11 1 1 A 13 13 GLU CA C 13 56.830 53.993 2.837 1 1 108 . 11 1 1 A 13 13 GLU CB C 13 30.860 34.145 -3.285 1 1 109 . 11 1 1 A 13 13 GLU N N 13 124.660 125.533 -0.873 1 1 138 . 11 1 1 A 17 17 VAL H H 17 8.458 8.580 -0.122 1 1 139 . 11 1 1 A 17 17 VAL HA H 17 4.183 4.371 -0.188 1 1 147 . 11 1 1 A 17 17 VAL C C 17 175.950 175.836 0.114 1 1 148 . 11 1 1 A 17 17 VAL CA C 17 63.780 61.915 1.865 1 1 149 . 11 1 1 A 17 17 VAL CB C 17 32.460 32.188 0.272 1 1 150 . 11 1 1 A 17 17 VAL N N 17 124.860 126.230 -1.370 1 1 151 . 11 1 1 A 18 18 PHE H H 18 8.579 8.110 0.469 1 1 152 . 11 1 1 A 18 18 PHE HA H 18 4.650 5.179 -0.529 1 1 160 . 11 1 1 A 18 18 PHE C C 18 173.450 174.867 -1.417 1 1 161 . 11 1 1 A 18 18 PHE CA C 18 57.480 55.447 2.033 1 1 162 . 11 1 1 A 18 18 PHE CB C 18 41.950 40.706 1.244 1 1 163 . 11 1 1 A 18 18 PHE N N 18 127.160 124.246 2.914 1 1 164 . 11 1 1 A 19 19 ARG H H 19 7.920 8.750 -0.830 1 1 165 . 11 1 1 A 19 19 ARG HA H 19 4.196 4.939 -0.743 1 1 170 . 11 1 1 A 19 19 ARG C C 19 174.930 175.394 -0.464 1 1 171 . 11 1 1 A 19 19 ARG CA C 19 54.800 55.079 -0.279 1 1 172 . 11 1 1 A 19 19 ARG CB C 19 30.610 30.955 -0.345 1 1 173 . 11 1 1 A 19 19 ARG N N 19 127.500 123.295 4.205 1 1 174 . 11 1 1 A 20 20 ALA H H 20 8.067 8.386 -0.319 1 1 175 . 11 1 1 A 20 20 ALA HA H 20 3.729 4.515 -0.786 1 1 179 . 11 1 1 A 20 20 ALA C C 20 177.630 177.586 0.044 1 1 180 . 11 1 1 A 20 20 ALA CA C 20 53.280 52.876 0.404 1 1 181 . 11 1 1 A 20 20 ALA CB C 20 18.860 19.299 -0.439 1 1 182 . 11 1 1 A 20 20 ALA N N 20 126.460 127.145 -0.685 1 1 183 . 11 1 1 A 21 21 ASP H H 21 8.355 8.409 -0.054 1 1 184 . 11 1 1 A 21 21 ASP HA H 21 4.350 4.439 -0.089 1 1 187 . 11 1 1 A 21 21 ASP C C 21 176.720 178.418 -1.698 1 1 188 . 11 1 1 A 21 21 ASP CA C 21 54.480 57.564 -3.084 1 1 189 . 11 1 1 A 21 21 ASP CB C 21 40.350 42.521 -2.171 1 1 190 . 11 1 1 A 21 21 ASP N N 21 117.850 119.199 -1.349 1 1 191 . 11 1 1 A 22 22 LEU H H 22 7.705 8.247 -0.542 1 1 192 . 11 1 1 A 22 22 LEU HA H 22 4.088 4.166 -0.078 1 1 202 . 11 1 1 A 22 22 LEU C C 22 177.760 178.398 -0.638 1 1 203 . 11 1 1 A 22 22 LEU CA C 22 55.780 57.330 -1.550 1 1 204 . 11 1 1 A 22 22 LEU CB C 22 41.860 41.504 0.356 1 1 205 . 11 1 1 A 22 22 LEU N N 22 121.600 118.956 2.644 1 1 206 . 11 1 1 A 23 23 LEU H H 23 7.717 7.562 0.155 1 1 207 . 11 1 1 A 23 23 LEU HA H 23 4.166 4.129 0.037 1 1 217 . 11 1 1 A 23 23 LEU C C 23 177.840 178.672 -0.832 1 1 218 . 11 1 1 A 23 23 LEU CA C 23 55.960 56.836 -0.876 1 1 219 . 11 1 1 A 23 23 LEU CB C 23 41.950 41.682 0.268 1 1 220 . 11 1 1 A 23 23 LEU N N 23 120.360 120.400 -0.040 1 1 221 . 11 1 1 A 24 24 LYS H H 24 7.933 8.069 -0.136 1 1 222 . 11 1 1 A 24 24 LYS HA H 24 4.174 3.881 0.293 1 1 229 . 11 1 1 A 24 24 LYS C C 24 177.190 179.211 -2.021 1 1 230 . 11 1 1 A 24 24 LYS CA C 24 57.050 60.358 -3.308 1 1 231 . 11 1 1 A 24 24 LYS CB C 24 32.880 31.891 0.989 1 1 232 . 11 1 1 A 24 24 LYS N N 24 121.120 118.835 2.285 1 1 233 . 11 1 1 A 25 25 GLU H H 25 8.160 7.977 0.183 1 1 234 . 11 1 1 A 25 25 GLU HA H 25 4.199 4.251 -0.052 1 1 239 . 11 1 1 A 25 25 GLU C C 25 176.900 179.451 -2.551 1 1 240 . 11 1 1 A 25 25 GLU CA C 25 57.010 58.452 -1.442 1 1 241 . 11 1 1 A 25 25 GLU CB C 25 30.280 29.329 0.951 1 1 242 . 11 1 1 A 25 25 GLU N N 25 121.550 119.359 2.191 1 1 243 . 11 1 1 A 26 26 MET H H 26 8.270 7.637 0.633 1 1 244 . 11 1 1 A 26 26 MET HA H 26 4.360 4.135 0.225 1 1 252 . 11 1 1 A 26 26 MET C C 26 176.440 178.264 -1.824 1 1 253 . 11 1 1 A 26 26 MET CA C 26 56.180 58.177 -1.997 1 1 254 . 11 1 1 A 26 26 MET CB C 26 33.050 32.024 1.026 1 1 255 . 11 1 1 A 26 26 MET N N 26 120.730 120.014 0.716 1 1 256 . 11 1 1 A 27 27 GLU H H 27 8.297 7.488 0.809 1 1 257 . 11 1 1 A 27 27 GLU HA H 27 4.264 4.203 0.061 1 1 262 . 11 1 1 A 27 27 GLU C C 27 176.650 178.249 -1.599 1 1 263 . 11 1 1 A 27 27 GLU CA C 27 56.830 58.461 -1.631 1 1 264 . 11 1 1 A 27 27 GLU CB C 27 30.530 29.388 1.142 1 1 265 . 11 1 1 A 27 27 GLU N N 27 121.650 119.035 2.615 1 1 266 . 11 1 1 A 28 28 SER H H 28 8.279 7.954 0.325 1 1 267 . 11 1 1 A 28 28 SER HA H 28 4.473 4.236 0.237 1 1 270 . 11 1 1 A 28 28 SER C C 28 174.760 176.778 -2.018 1 1 271 . 11 1 1 A 28 28 SER CA C 28 58.460 60.924 -2.464 1 1 272 . 11 1 1 A 28 28 SER CB C 28 64.190 62.882 1.308 1 1 273 . 11 1 1 A 28 28 SER N N 28 116.610 115.931 0.679 1 1 274 . 11 1 1 A 29 29 SER H H 29 8.443 7.932 0.511 1 1 275 . 11 1 1 A 29 29 SER HA H 29 4.541 4.351 0.190 1 1 278 . 11 1 1 A 29 29 SER C C 29 174.950 175.148 -0.198 1 1 279 . 11 1 1 A 29 29 SER CA C 29 58.530 61.816 -3.286 1 1 280 . 11 1 1 A 29 29 SER CB C 29 64.190 63.130 1.060 1 1 281 . 11 1 1 A 29 29 SER N N 29 118.290 114.510 3.780 1 1 282 . 11 1 1 A 30 30 THR H H 30 8.220 7.589 0.631 1 1 283 . 11 1 1 A 30 30 THR HA H 30 4.372 4.269 0.103 1 1 288 . 11 1 1 A 30 30 THR C C 30 175.280 175.684 -0.404 1 1 289 . 11 1 1 A 30 30 THR CA C 30 62.260 64.233 -1.973 1 1 290 . 11 1 1 A 30 30 THR CB C 30 69.900 67.847 2.053 1 1 291 . 11 1 1 A 30 30 THR N N 30 115.600 114.890 0.710 1 1 292 . 11 1 1 A 31 31 GLY H H 31 8.401 8.696 -0.295 1 1 293 . 11 1 1 A 31 31 GLY HA2 H 31 4.005 3.970 0.035 1 1 294 . 11 1 1 A 31 31 GLY HA3 H 31 4.005 3.971 0.034 1 1 295 . 11 1 1 A 31 31 GLY C C 31 174.160 174.301 -0.141 1 1 296 . 11 1 1 A 31 31 GLY CA C 31 45.470 45.849 -0.379 1 1 297 . 11 1 1 A 31 31 GLY N N 31 111.270 114.630 -3.360 1 1 298 . 11 1 1 A 32 32 THR H H 32 8.034 8.132 -0.098 1 1 299 . 11 1 1 A 32 32 THR HA H 32 4.319 4.693 -0.374 1 1 304 . 11 1 1 A 32 32 THR C C 32 174.130 174.149 -0.019 1 1 305 . 11 1 1 A 32 32 THR CA C 32 61.710 62.070 -0.360 1 1 306 . 11 1 1 A 32 32 THR CB C 32 70.150 70.014 0.136 1 1 307 . 11 1 1 A 32 32 THR N N 32 113.770 115.815 -2.045 1 1 308 . 11 1 1 A 33 33 ALA H H 33 8.410 8.746 -0.336 1 1 309 . 11 1 1 A 33 33 ALA HA H 33 4.581 4.774 -0.193 1 1 313 . 11 1 1 A 33 33 ALA C C 33 175.490 174.850 0.640 1 1 314 . 11 1 1 A 33 33 ALA CA C 33 50.680 49.303 1.377 1 1 315 . 11 1 1 A 33 33 ALA N N 33 128.320 129.083 -0.763 1 1 316 . 11 1 1 A 34 34 PRO HA H 34 4.389 4.622 -0.233 1 1 321 . 11 1 1 A 34 34 PRO C C 34 176.650 176.090 0.560 1 1 322 . 11 1 1 A 34 34 PRO CA C 34 63.090 62.589 0.501 1 1 323 . 11 1 1 A 34 34 PRO CB C 34 32.210 33.086 -0.876 1 1 324 . 11 1 1 A 35 35 ALA H H 35 8.433 8.316 0.117 1 1 325 . 11 1 1 A 35 35 ALA HA H 35 4.275 4.931 -0.656 1 1 329 . 11 1 1 A 35 35 ALA C C 35 177.730 176.256 1.474 1 1 330 . 11 1 1 A 35 35 ALA CA C 35 52.590 50.444 2.146 1 1 331 . 11 1 1 A 35 35 ALA CB C 35 19.450 23.214 -3.764 1 1 332 . 11 1 1 A 35 35 ALA N N 35 124.330 121.422 2.908 1 1 333 . 11 1 1 A 36 36 SER H H 36 8.259 8.835 -0.576 1 1 334 . 11 1 1 A 36 36 SER HA H 36 4.474 4.550 -0.076 1 1 337 . 11 1 1 A 36 36 SER C C 36 174.860 174.513 0.347 1 1 338 . 11 1 1 A 36 36 SER CA C 36 58.130 58.522 -0.392 1 1 339 . 11 1 1 A 36 36 SER CB C 36 64.190 63.958 0.232 1 1 340 . 11 1 1 A 36 36 SER N N 36 114.560 113.125 1.435 1 1 341 . 11 1 1 A 37 37 THR H H 37 8.325 8.549 -0.224 1 1 342 . 11 1 1 A 37 37 THR HA H 37 4.281 4.602 -0.321 1 1 346 . 11 1 1 A 37 37 THR C C 37 175.110 175.484 -0.374 1 1 347 . 11 1 1 A 37 37 THR CA C 37 62.260 62.332 -0.072 1 1 348 . 11 1 1 A 37 37 THR CB C 37 70.150 70.213 -0.063 1 1 349 . 11 1 1 A 37 37 THR N N 37 115.300 116.709 -1.409 1 1 350 . 11 1 1 A 38 38 GLY H H 38 8.511 7.723 0.788 1 1 351 . 11 1 1 A 38 38 GLY HA2 H 38 3.975 3.972 0.003 1 1 352 . 11 1 1 A 38 38 GLY HA3 H 38 3.809 3.976 -0.167 1 1 353 . 11 1 1 A 38 38 GLY C C 38 174.470 174.939 -0.469 1 1 354 . 11 1 1 A 38 38 GLY CA C 38 45.470 45.673 -0.203 1 1 355 . 11 1 1 A 38 38 GLY N N 38 110.440 109.614 0.826 1 1 356 . 11 1 1 A 39 39 ALA H H 39 8.245 7.958 0.287 1 1 357 . 11 1 1 A 39 39 ALA HA H 39 4.164 4.242 -0.078 1 1 361 . 11 1 1 A 39 39 ALA C C 39 177.590 178.223 -0.633 1 1 362 . 11 1 1 A 39 39 ALA CA C 39 52.560 52.695 -0.135 1 1 363 . 11 1 1 A 39 39 ALA CB C 39 19.360 19.487 -0.127 1 1 364 . 11 1 1 A 39 39 ALA N N 39 124.080 122.996 1.084 1 1 365 . 11 1 1 A 40 40 GLU H H 40 8.721 8.295 0.426 1 1 366 . 11 1 1 A 40 40 GLU HA H 40 4.083 4.268 -0.185 1 1 371 . 11 1 1 A 40 40 GLU C C 40 176.320 178.679 -2.359 1 1 372 . 11 1 1 A 40 40 GLU CA C 40 57.910 58.437 -0.527 1 1 373 . 11 1 1 A 40 40 GLU CB C 40 29.520 29.199 0.321 1 1 374 . 11 1 1 A 40 40 GLU N N 40 118.270 118.332 -0.062 1 1 375 . 11 1 1 A 41 41 ASN H H 41 8.226 7.757 0.469 1 1 376 . 11 1 1 A 41 41 ASN HA H 41 4.716 4.781 -0.065 1 1 381 . 11 1 1 A 41 41 ASN C C 41 174.800 174.961 -0.161 1 1 382 . 11 1 1 A 41 41 ASN CA C 41 52.880 54.696 -1.816 1 1 383 . 11 1 1 A 41 41 ASN CB C 41 38.840 39.174 -0.334 1 1 384 . 11 1 1 A 41 41 ASN N N 41 117.620 116.581 1.039 1 1 386 . 11 1 1 A 42 42 LEU H H 42 7.629 8.137 -0.508 1 1 387 . 11 1 1 A 42 42 LEU HA H 42 4.418 3.946 0.472 1 1 397 . 11 1 1 A 42 42 LEU C C 42 174.610 177.082 -2.472 1 1 398 . 11 1 1 A 42 42 LEU CA C 42 53.170 55.608 -2.438 1 1 399 . 11 1 1 A 42 42 LEU N N 42 123.010 118.508 4.502 1 1 400 . 11 1 1 A 43 43 PRO HA H 43 4.366 4.270 0.096 1 1 407 . 11 1 1 A 43 43 PRO C C 43 177.050 178.694 -1.644 1 1 408 . 11 1 1 A 43 43 PRO CA C 43 62.260 66.325 -4.065 1 1 409 . 11 1 1 A 43 43 PRO CB C 43 32.380 31.328 1.052 1 1 410 . 11 1 1 A 44 44 ALA H H 44 8.552 7.643 0.909 1 1 411 . 11 1 1 A 44 44 ALA HA H 44 4.223 4.278 -0.055 1 1 415 . 11 1 1 A 44 44 ALA C C 44 179.500 178.023 1.477 1 1 416 . 11 1 1 A 44 44 ALA CA C 44 53.250 52.322 0.928 1 1 417 . 11 1 1 A 44 44 ALA CB C 44 18.190 19.548 -1.358 1 1 418 . 11 1 1 A 44 44 ALA N N 44 125.070 118.540 6.530 1 1 419 . 11 1 1 A 45 45 GLY H H 45 8.897 9.177 -0.280 1 1 420 . 11 1 1 A 45 45 GLY HA2 H 45 4.214 3.987 0.227 1 1 421 . 11 1 1 A 45 45 GLY HA3 H 45 3.833 4.007 -0.174 1 1 422 . 11 1 1 A 45 45 GLY C C 45 173.720 173.525 0.195 1 1 423 . 11 1 1 A 45 45 GLY CA C 45 45.790 45.391 0.399 1 1 424 . 11 1 1 A 45 45 GLY N N 45 110.600 108.190 2.410 1 1 425 . 11 1 1 A 46 46 SER H H 46 7.690 7.938 -0.248 1 1 426 . 11 1 1 A 46 46 SER HA H 46 5.338 5.272 0.066 1 1 429 . 11 1 1 A 46 46 SER C C 46 172.990 172.759 0.231 1 1 430 . 11 1 1 A 46 46 SER CA C 46 57.810 57.765 0.045 1 1 431 . 11 1 1 A 46 46 SER CB C 46 66.960 66.575 0.385 1 1 432 . 11 1 1 A 46 46 SER N N 46 114.180 116.603 -2.423 1 1 433 . 11 1 1 A 47 47 ALA H H 47 8.435 8.939 -0.504 1 1 434 . 11 1 1 A 47 47 ALA HA H 47 4.338 5.029 -0.691 1 1 438 . 11 1 1 A 47 47 ALA C C 47 173.840 176.046 -2.206 1 1 439 . 11 1 1 A 47 47 ALA CA C 47 51.690 50.726 0.964 1 1 440 . 11 1 1 A 47 47 ALA CB C 47 24.570 22.989 1.581 1 1 441 . 11 1 1 A 47 47 ALA N N 47 120.900 123.700 -2.800 1 1 442 . 11 1 1 A 48 48 LEU H H 48 8.673 8.557 0.116 1 1 443 . 11 1 1 A 48 48 LEU HA H 48 5.021 5.402 -0.381 1 1 453 . 11 1 1 A 48 48 LEU C C 48 174.680 175.544 -0.864 1 1 454 . 11 1 1 A 48 48 LEU CA C 48 53.350 52.523 0.827 1 1 455 . 11 1 1 A 48 48 LEU CB C 48 48.150 45.547 2.603 1 1 456 . 11 1 1 A 48 48 LEU N N 48 120.170 115.221 4.949 1 1 457 . 11 1 1 A 49 49 LEU H H 49 8.686 9.296 -0.610 1 1 458 . 11 1 1 A 49 49 LEU HA H 49 5.403 5.552 -0.149 1 1 468 . 11 1 1 A 49 49 LEU C C 49 176.170 175.209 0.961 1 1 469 . 11 1 1 A 49 49 LEU CA C 49 52.810 53.196 -0.386 1 1 470 . 11 1 1 A 49 49 LEU CB C 49 46.310 44.448 1.862 1 1 471 . 11 1 1 A 49 49 LEU N N 49 120.170 120.713 -0.543 1 1 472 . 11 1 1 A 50 50 VAL H H 50 8.874 9.417 -0.543 1 1 473 . 11 1 1 A 50 50 VAL HA H 50 4.971 4.934 0.037 1 1 481 . 11 1 1 A 50 50 VAL C C 50 176.740 174.474 2.266 1 1 482 . 11 1 1 A 50 50 VAL CA C 50 59.940 60.154 -0.214 1 1 483 . 11 1 1 A 50 50 VAL CB C 50 34.970 34.143 0.827 1 1 484 . 11 1 1 A 50 50 VAL N N 50 120.580 122.601 -2.021 1 1 485 . 11 1 1 A 51 51 VAL H H 51 8.984 9.194 -0.210 1 1 486 . 11 1 1 A 51 51 VAL HA H 51 4.155 4.189 -0.034 1 1 494 . 11 1 1 A 51 51 VAL C C 51 176.050 175.760 0.290 1 1 495 . 11 1 1 A 51 51 VAL CA C 51 64.280 62.848 1.432 1 1 496 . 11 1 1 A 51 51 VAL CB C 51 31.280 31.572 -0.292 1 1 497 . 11 1 1 A 51 51 VAL N N 51 125.710 128.457 -2.747 1 1 498 . 11 1 1 A 52 52 LYS H H 52 9.444 9.219 0.225 1 1 499 . 11 1 1 A 52 52 LYS HA H 52 4.450 4.463 -0.013 1 1 506 . 11 1 1 A 52 52 LYS C C 52 176.150 176.663 -0.513 1 1 507 . 11 1 1 A 52 52 LYS CA C 52 57.050 56.962 0.088 1 1 508 . 11 1 1 A 52 52 LYS CB C 52 34.470 33.825 0.645 1 1 509 . 11 1 1 A 52 52 LYS N N 52 132.750 127.298 5.452 1 1 510 . 11 1 1 A 53 53 ARG H H 53 8.051 7.332 0.719 1 1 511 . 11 1 1 A 53 53 ARG HA H 53 4.685 4.841 -0.156 1 1 516 . 11 1 1 A 53 53 ARG C C 53 173.470 174.773 -1.303 1 1 517 . 11 1 1 A 53 53 ARG CA C 53 55.090 55.230 -0.140 1 1 518 . 11 1 1 A 53 53 ARG CB C 53 34.300 34.097 0.203 1 1 519 . 11 1 1 A 53 53 ARG N N 53 117.320 118.689 -1.369 1 1 520 . 11 1 1 A 54 54 GLY H H 54 8.377 8.474 -0.097 1 1 521 . 11 1 1 A 54 54 GLY HA2 H 54 4.215 3.901 0.314 1 1 522 . 11 1 1 A 54 54 GLY HA3 H 54 3.503 4.000 -0.497 1 1 523 . 11 1 1 A 54 54 GLY C C 54 171.870 174.530 -2.660 1 1 524 . 11 1 1 A 54 54 GLY CA C 54 43.770 44.409 -0.639 1 1 525 . 11 1 1 A 54 54 GLY N N 54 110.960 112.276 -1.316 1 1 526 . 11 1 1 A 55 55 PRO HA H 55 4.255 4.387 -0.132 1 1 531 . 11 1 1 A 55 55 PRO C C 55 175.940 177.528 -1.588 1 1 532 . 11 1 1 A 55 55 PRO CA C 55 64.390 65.102 -0.712 1 1 533 . 11 1 1 A 55 55 PRO CB C 55 31.360 32.000 -0.640 1 1 534 . 11 1 1 A 56 56 ASN H H 56 8.202 8.550 -0.348 1 1 535 . 11 1 1 A 56 56 ASN HA H 56 4.685 5.019 -0.334 1 1 540 . 11 1 1 A 56 56 ASN C C 56 174.410 174.661 -0.251 1 1 541 . 11 1 1 A 56 56 ASN CA C 56 52.120 52.721 -0.601 1 1 542 . 11 1 1 A 56 56 ASN CB C 56 37.070 38.835 -1.765 1 1 543 . 11 1 1 A 56 56 ASN N N 56 114.760 115.136 -0.376 1 1 545 . 11 1 1 A 57 57 ALA H H 57 7.283 7.763 -0.480 1 1 546 . 11 1 1 A 57 57 ALA HA H 57 3.618 4.170 -0.552 1 1 550 . 11 1 1 A 57 57 ALA C C 57 178.090 178.484 -0.394 1 1 551 . 11 1 1 A 57 57 ALA CA C 57 54.480 53.701 0.779 1 1 552 . 11 1 1 A 57 57 ALA CB C 57 17.760 18.971 -1.211 1 1 553 . 11 1 1 A 57 57 ALA N N 57 120.380 122.556 -2.176 1 1 554 . 11 1 1 A 58 58 GLY H H 58 9.052 9.315 -0.263 1 1 555 . 11 1 1 A 58 58 GLY HA2 H 58 4.449 4.016 0.433 1 1 556 . 11 1 1 A 58 58 GLY HA3 H 58 3.415 4.018 -0.603 1 1 557 . 11 1 1 A 58 58 GLY C C 58 174.610 174.439 0.171 1 1 558 . 11 1 1 A 58 58 GLY CA C 58 44.530 45.058 -0.528 1 1 559 . 11 1 1 A 58 58 GLY N N 58 112.180 110.579 1.601 1 1 560 . 11 1 1 A 59 59 ALA H H 59 8.171 7.426 0.745 1 1 561 . 11 1 1 A 59 59 ALA HA H 59 4.081 4.446 -0.365 1 1 565 . 11 1 1 A 59 59 ALA C C 59 175.220 176.716 -1.496 1 1 566 . 11 1 1 A 59 59 ALA CA C 59 53.170 51.560 1.610 1 1 567 . 11 1 1 A 59 59 ALA CB C 59 19.360 20.117 -0.757 1 1 568 . 11 1 1 A 59 59 ALA N N 59 124.650 123.863 0.787 1 1 569 . 11 1 1 A 60 60 ARG H H 60 7.751 8.878 -1.127 1 1 570 . 11 1 1 A 60 60 ARG HA H 60 5.105 5.143 -0.038 1 1 575 . 11 1 1 A 60 60 ARG C C 60 175.320 174.792 0.528 1 1 576 . 11 1 1 A 60 60 ARG CA C 60 54.150 54.285 -0.135 1 1 577 . 11 1 1 A 60 60 ARG CB C 60 34.130 33.639 0.491 1 1 578 . 11 1 1 A 60 60 ARG N N 60 116.920 118.279 -1.359 1 1 579 . 11 1 1 A 61 61 PHE H H 61 9.213 9.417 -0.204 1 1 580 . 11 1 1 A 61 61 PHE HA H 61 4.788 5.198 -0.410 1 1 587 . 11 1 1 A 61 61 PHE C C 61 173.930 174.607 -0.677 1 1 588 . 11 1 1 A 61 61 PHE CA C 61 56.500 56.450 0.050 1 1 589 . 11 1 1 A 61 61 PHE CB C 61 41.860 41.722 0.138 1 1 590 . 11 1 1 A 61 61 PHE N N 61 121.090 120.390 0.700 1 1 591 . 11 1 1 A 62 62 LEU H H 62 8.638 8.995 -0.357 1 1 592 . 11 1 1 A 62 62 LEU HA H 62 4.566 4.946 -0.380 1 1 602 . 11 1 1 A 62 62 LEU C C 62 176.570 175.038 1.532 1 1 603 . 11 1 1 A 62 62 LEU CA C 62 55.130 54.243 0.887 1 1 604 . 11 1 1 A 62 62 LEU CB C 62 43.620 44.640 -1.020 1 1 605 . 11 1 1 A 62 62 LEU N N 62 125.630 126.106 -0.476 1 1 606 . 11 1 1 A 63 63 LEU H H 63 8.929 9.285 -0.356 1 1 607 . 11 1 1 A 63 63 LEU HA H 63 4.852 4.879 -0.027 1 1 617 . 11 1 1 A 63 63 LEU C C 63 175.070 176.424 -1.354 1 1 618 . 11 1 1 A 63 63 LEU CA C 63 53.170 54.584 -1.414 1 1 619 . 11 1 1 A 63 63 LEU CB C 63 42.110 41.836 0.274 1 1 620 . 11 1 1 A 63 63 LEU N N 63 125.980 127.296 -1.316 1 1 621 . 11 1 1 A 64 64 ASP H H 64 8.601 8.891 -0.290 1 1 622 . 11 1 1 A 64 64 ASP HA H 64 4.736 5.073 -0.337 1 1 625 . 11 1 1 A 64 64 ASP C C 64 175.130 175.879 -0.749 1 1 626 . 11 1 1 A 64 64 ASP CA C 64 53.640 54.045 -0.405 1 1 627 . 11 1 1 A 64 64 ASP CB C 64 41.020 42.503 -1.483 1 1 628 . 11 1 1 A 64 64 ASP N N 64 120.910 124.816 -3.906 1 1 629 . 11 1 1 A 65 65 GLN H H 65 7.497 7.598 -0.101 1 1 630 . 11 1 1 A 65 65 GLN HA H 65 4.856 4.687 0.169 1 1 637 . 11 1 1 A 65 65 GLN C C 65 173.550 175.413 -1.863 1 1 638 . 11 1 1 A 65 65 GLN CA C 65 52.780 53.651 -0.871 1 1 639 . 11 1 1 A 65 65 GLN N N 65 117.420 117.255 0.165 1 1 641 . 11 1 1 A 66 66 PRO HA H 66 4.190 4.445 -0.255 1 1 648 . 11 1 1 A 66 66 PRO C C 66 177.400 176.582 0.818 1 1 649 . 11 1 1 A 66 66 PRO CA C 66 66.810 64.230 2.580 1 1 650 . 11 1 1 A 66 66 PRO CB C 66 32.370 31.931 0.439 1 1 651 . 11 1 1 A 67 67 THR H H 67 7.647 7.446 0.201 1 1 652 . 11 1 1 A 67 67 THR HA H 67 4.811 5.174 -0.363 1 1 657 . 11 1 1 A 67 67 THR C C 67 173.280 173.084 0.196 1 1 658 . 11 1 1 A 67 67 THR CA C 67 62.830 61.132 1.698 1 1 659 . 11 1 1 A 67 67 THR CB C 67 71.740 71.934 -0.194 1 1 660 . 11 1 1 A 67 67 THR N N 67 109.270 112.288 -3.018 1 1 661 . 11 1 1 A 68 68 THR H H 68 8.919 9.559 -0.640 1 1 662 . 11 1 1 A 68 68 THR HA H 68 4.968 5.029 -0.061 1 1 667 . 11 1 1 A 68 68 THR C C 68 175.090 173.451 1.639 1 1 668 . 11 1 1 A 68 68 THR CA C 68 61.820 61.936 -0.116 1 1 669 . 11 1 1 A 68 68 THR CB C 68 70.730 70.407 0.323 1 1 670 . 11 1 1 A 68 68 THR N N 68 125.610 123.204 2.406 1 1 671 . 11 1 1 A 69 69 THR H H 69 10.398 8.783 1.615 1 1 672 . 11 1 1 A 69 69 THR HA H 69 4.491 4.832 -0.341 1 1 677 . 11 1 1 A 69 69 THR C C 69 173.140 174.303 -1.163 1 1 678 . 11 1 1 A 69 69 THR CA C 69 61.790 62.273 -0.483 1 1 679 . 11 1 1 A 69 69 THR CB C 69 70.820 70.291 0.529 1 1 680 . 11 1 1 A 69 69 THR N N 69 121.520 122.695 -1.175 1 1 681 . 11 1 1 A 70 70 ALA H H 70 8.722 9.100 -0.378 1 1 682 . 11 1 1 A 70 70 ALA HA H 70 5.696 5.114 0.582 1 1 686 . 11 1 1 A 70 70 ALA C C 70 175.840 175.903 -0.063 1 1 687 . 11 1 1 A 70 70 ALA CA C 70 50.030 50.682 -0.652 1 1 688 . 11 1 1 A 70 70 ALA CB C 70 22.300 22.764 -0.464 1 1 689 . 11 1 1 A 70 70 ALA N N 70 122.410 128.497 -6.087 1 1 690 . 11 1 1 A 71 71 GLY H H 71 8.430 8.161 0.269 1 1 691 . 11 1 1 A 71 71 GLY HA2 H 71 4.474 4.120 0.354 1 1 692 . 11 1 1 A 71 71 GLY HA3 H 71 3.903 4.298 -0.395 1 1 693 . 11 1 1 A 71 71 GLY C C 71 170.540 171.495 -0.955 1 1 694 . 11 1 1 A 71 71 GLY CA C 71 46.300 44.189 2.111 1 1 695 . 11 1 1 A 71 71 GLY N N 71 108.960 107.323 1.637 1 1 696 . 11 1 1 A 72 72 ARG H H 72 8.341 8.223 0.118 1 1 697 . 11 1 1 A 72 72 ARG HA H 72 4.481 4.988 -0.507 1 1 702 . 11 1 1 A 72 72 ARG C C 72 175.720 175.026 0.694 1 1 703 . 11 1 1 A 72 72 ARG CA C 72 54.800 55.002 -0.202 1 1 704 . 11 1 1 A 72 72 ARG CB C 72 32.540 32.627 -0.087 1 1 705 . 11 1 1 A 72 72 ARG N N 72 120.930 120.988 -0.058 1 1 706 . 11 1 1 A 73 73 HIS H H 73 9.295 8.495 0.800 1 1 707 . 11 1 1 A 73 73 HIS HA H 73 4.403 5.015 -0.612 1 1 712 . 11 1 1 A 73 73 HIS C C 73 176.860 174.890 1.970 1 1 713 . 11 1 1 A 73 73 HIS CA C 73 57.050 54.197 2.853 1 1 714 . 11 1 1 A 73 73 HIS N N 73 125.290 121.731 3.559 1 1 715 . 11 1 1 A 74 74 PRO HA H 74 4.373 4.264 0.109 1 1 722 . 11 1 1 A 74 74 PRO C C 74 177.590 177.666 -0.076 1 1 723 . 11 1 1 A 74 74 PRO CA C 74 64.930 65.528 -0.598 1 1 724 . 11 1 1 A 74 74 PRO CB C 74 32.030 31.877 0.153 1 1 725 . 11 1 1 A 75 75 GLU H H 75 10.575 8.608 1.967 1 1 726 . 11 1 1 A 75 75 GLU HA H 75 4.352 4.520 -0.168 1 1 731 . 11 1 1 A 75 75 GLU C C 75 177.320 175.917 1.403 1 1 732 . 11 1 1 A 75 75 GLU CA C 75 56.070 56.195 -0.125 1 1 733 . 11 1 1 A 75 75 GLU CB C 75 29.010 30.257 -1.247 1 1 734 . 11 1 1 A 75 75 GLU N N 75 119.840 116.666 3.174 1 1 735 . 11 1 1 A 76 76 SER H H 76 8.236 7.393 0.843 1 1 736 . 11 1 1 A 76 76 SER HA H 76 4.100 4.078 0.022 1 1 739 . 11 1 1 A 76 76 SER C C 76 173.120 174.069 -0.949 1 1 740 . 11 1 1 A 76 76 SER CA C 76 60.160 58.625 1.535 1 1 741 . 11 1 1 A 76 76 SER CB C 76 65.530 62.816 2.714 1 1 742 . 11 1 1 A 76 76 SER N N 76 118.860 115.220 3.640 1 1 743 . 11 1 1 A 77 77 ASP H H 77 8.541 9.038 -0.497 1 1 744 . 11 1 1 A 77 77 ASP HA H 77 4.344 4.468 -0.124 1 1 747 . 11 1 1 A 77 77 ASP C C 77 177.590 175.930 1.660 1 1 748 . 11 1 1 A 77 77 ASP CA C 77 58.380 56.042 2.338 1 1 749 . 11 1 1 A 77 77 ASP CB C 77 42.110 41.473 0.637 1 1 750 . 11 1 1 A 77 77 ASP N N 77 126.720 125.088 1.632 1 1 751 . 11 1 1 A 78 78 ILE H H 78 8.571 7.065 1.506 1 1 752 . 11 1 1 A 78 78 ILE HA H 78 3.563 4.271 -0.708 1 1 762 . 11 1 1 A 78 78 ILE C C 78 172.930 174.319 -1.389 1 1 763 . 11 1 1 A 78 78 ILE CA C 78 60.880 59.547 1.333 1 1 764 . 11 1 1 A 78 78 ILE CB C 78 37.410 39.727 -2.317 1 1 765 . 11 1 1 A 78 78 ILE N N 78 120.210 113.999 6.211 1 1 766 . 11 1 1 A 79 79 PHE H H 79 8.018 8.949 -0.931 1 1 767 . 11 1 1 A 79 79 PHE HA H 79 5.018 4.826 0.192 1 1 775 . 11 1 1 A 79 79 PHE C C 79 174.130 173.744 0.386 1 1 776 . 11 1 1 A 79 79 PHE CA C 79 55.780 56.080 -0.300 1 1 777 . 11 1 1 A 79 79 PHE CB C 79 39.170 40.344 -1.174 1 1 778 . 11 1 1 A 79 79 PHE N N 79 127.300 126.592 0.708 1 1 779 . 11 1 1 A 80 80 LEU H H 80 7.695 8.352 -0.657 1 1 780 . 11 1 1 A 80 80 LEU HA H 80 3.619 4.562 -0.943 1 1 790 . 11 1 1 A 80 80 LEU C C 80 173.720 174.748 -1.028 1 1 791 . 11 1 1 A 80 80 LEU CA C 80 52.340 52.801 -0.461 1 1 792 . 11 1 1 A 80 80 LEU CB C 80 41.770 44.577 -2.807 1 1 793 . 11 1 1 A 80 80 LEU N N 80 131.810 127.825 3.985 1 1 794 . 11 1 1 A 81 81 ASP H H 81 7.974 8.980 -1.006 1 1 795 . 11 1 1 A 81 81 ASP HA H 81 4.141 4.653 -0.512 1 1 798 . 11 1 1 A 81 81 ASP C C 81 175.130 175.557 -0.427 1 1 799 . 11 1 1 A 81 81 ASP CA C 81 53.210 53.880 -0.670 1 1 800 . 11 1 1 A 81 81 ASP CB C 81 39.930 41.423 -1.493 1 1 801 . 11 1 1 A 81 81 ASP N N 81 121.130 123.915 -2.785 1 1 802 . 11 1 1 A 82 82 ASP H H 82 7.583 8.630 -1.047 1 1 803 . 11 1 1 A 82 82 ASP HA H 82 4.859 4.859 0.000 1 1 806 . 11 1 1 A 82 82 ASP C C 82 176.760 176.677 0.083 1 1 807 . 11 1 1 A 82 82 ASP CA C 82 54.980 54.016 0.964 1 1 808 . 11 1 1 A 82 82 ASP CB C 82 39.170 41.748 -2.578 1 1 809 . 11 1 1 A 82 82 ASP N N 82 121.540 122.593 -1.053 1 1 810 . 11 1 1 A 83 83 VAL H H 83 8.344 9.057 -0.713 1 1 811 . 11 1 1 A 83 83 VAL HA H 83 4.012 4.055 -0.043 1 1 819 . 11 1 1 A 83 83 VAL C C 83 174.860 176.515 -1.655 1 1 820 . 11 1 1 A 83 83 VAL CA C 83 65.330 64.078 1.252 1 1 821 . 11 1 1 A 83 83 VAL CB C 83 31.530 32.709 -1.179 1 1 822 . 11 1 1 A 83 83 VAL N N 83 122.260 122.997 -0.737 1 1 823 . 11 1 1 A 84 84 THR H H 84 8.268 7.889 0.379 1 1 824 . 11 1 1 A 84 84 THR HA H 84 4.540 5.075 -0.535 1 1 828 . 11 1 1 A 84 84 THR C C 84 175.360 173.753 1.607 1 1 829 . 11 1 1 A 84 84 THR CA C 84 63.810 61.287 2.523 1 1 830 . 11 1 1 A 84 84 THR CB C 84 70.900 72.120 -1.220 1 1 831 . 11 1 1 A 84 84 THR N N 84 110.620 111.821 -1.201 1 1 832 . 11 1 1 A 85 85 VAL H H 85 8.579 8.779 -0.200 1 1 833 . 11 1 1 A 85 85 VAL HA H 85 4.254 4.192 0.062 1 1 841 . 11 1 1 A 85 85 VAL C C 85 177.070 175.338 1.732 1 1 842 . 11 1 1 A 85 85 VAL CA C 85 61.930 63.391 -1.461 1 1 843 . 11 1 1 A 85 85 VAL CB C 85 32.450 31.000 1.450 1 1 844 . 11 1 1 A 85 85 VAL N N 85 126.860 125.581 1.279 1 1 845 . 11 1 1 A 86 86 SER H H 86 11.668 8.570 3.098 1 1 846 . 11 1 1 A 86 86 SER HA H 86 5.203 5.014 0.189 1 1 849 . 11 1 1 A 86 86 SER C C 86 175.470 175.296 0.174 1 1 850 . 11 1 1 A 86 86 SER CA C 86 61.600 58.133 3.467 1 1 851 . 11 1 1 A 86 86 SER CB C 86 64.270 63.174 1.096 1 1 852 . 11 1 1 A 86 86 SER N N 86 128.670 125.237 3.433 1 1 853 . 11 1 1 A 87 87 ARG H H 87 10.946 8.654 2.292 1 1 854 . 11 1 1 A 87 87 ARG HA H 87 5.179 4.167 1.012 1 1 862 . 11 1 1 A 87 87 ARG C C 87 177.110 175.976 1.134 1 1 863 . 11 1 1 A 87 87 ARG CA C 87 60.810 58.567 2.243 1 1 864 . 11 1 1 A 87 87 ARG CB C 87 29.010 29.927 -0.917 1 1 865 . 11 1 1 A 87 87 ARG N N 87 126.810 125.656 1.154 1 1 867 . 11 1 1 A 88 88 ARG H H 88 7.946 7.683 0.263 1 1 868 . 11 1 1 A 88 88 ARG HA H 88 4.459 4.750 -0.291 1 1 876 . 11 1 1 A 88 88 ARG C C 88 172.990 175.762 -2.772 1 1 877 . 11 1 1 A 88 88 ARG CA C 88 55.060 55.663 -0.603 1 1 878 . 11 1 1 A 88 88 ARG CB C 88 29.770 33.234 -3.464 1 1 879 . 11 1 1 A 88 88 ARG N N 88 115.670 118.638 -2.968 1 1 881 . 11 1 1 A 89 89 HIS H H 89 7.613 9.015 -1.402 1 1 882 . 11 1 1 A 89 89 HIS HA H 89 4.437 4.586 -0.149 1 1 888 . 11 1 1 A 89 89 HIS C C 89 174.050 175.192 -1.142 1 1 889 . 11 1 1 A 89 89 HIS CA C 89 58.420 57.973 0.447 1 1 890 . 11 1 1 A 89 89 HIS CB C 89 32.620 31.840 0.780 1 1 891 . 11 1 1 A 89 89 HIS N N 89 124.000 124.027 -0.027 1 1 893 . 11 1 1 A 90 90 ALA H H 90 8.454 7.342 1.112 1 1 894 . 11 1 1 A 90 90 ALA HA H 90 5.529 4.585 0.944 1 1 898 . 11 1 1 A 90 90 ALA C C 90 176.260 175.147 1.113 1 1 899 . 11 1 1 A 90 90 ALA CA C 90 50.240 51.532 -1.292 1 1 900 . 11 1 1 A 90 90 ALA CB C 90 23.220 22.524 0.696 1 1 901 . 11 1 1 A 90 90 ALA N N 90 116.480 118.140 -1.660 1 1 902 . 11 1 1 A 91 91 GLU H H 91 9.216 8.759 0.457 1 1 903 . 11 1 1 A 91 91 GLU HA H 91 4.931 5.090 -0.159 1 1 908 . 11 1 1 A 91 91 GLU C C 91 173.910 175.560 -1.650 1 1 909 . 11 1 1 A 91 91 GLU CA C 91 54.690 55.066 -0.376 1 1 910 . 11 1 1 A 91 91 GLU CB C 91 34.720 32.562 2.158 1 1 911 . 11 1 1 A 91 91 GLU N N 91 118.140 118.083 0.057 1 1 912 . 11 1 1 A 92 92 PHE H H 92 9.330 9.701 -0.371 1 1 913 . 11 1 1 A 92 92 PHE HA H 92 5.502 5.337 0.165 1 1 921 . 11 1 1 A 92 92 PHE C C 92 176.650 175.047 1.603 1 1 922 . 11 1 1 A 92 92 PHE CA C 92 56.760 56.630 0.130 1 1 923 . 11 1 1 A 92 92 PHE CB C 92 41.690 40.431 1.259 1 1 924 . 11 1 1 A 92 92 PHE N N 92 119.490 122.183 -2.693 1 1 925 . 11 1 1 A 93 93 ARG H H 93 9.846 9.083 0.763 1 1 926 . 11 1 1 A 93 93 ARG HA H 93 5.610 5.228 0.382 1 1 934 . 11 1 1 A 93 93 ARG C C 93 175.010 174.842 0.168 1 1 935 . 11 1 1 A 93 93 ARG CA C 93 54.580 54.625 -0.045 1 1 936 . 11 1 1 A 93 93 ARG CB C 93 34.220 33.447 0.773 1 1 937 . 11 1 1 A 93 93 ARG N N 93 127.300 123.681 3.619 1 1 939 . 11 1 1 A 94 94 ILE H H 94 8.521 9.340 -0.819 1 1 940 . 11 1 1 A 94 94 ILE HA H 94 4.410 4.956 -0.546 1 1 950 . 11 1 1 A 94 94 ILE C C 94 176.420 174.489 1.931 1 1 951 . 11 1 1 A 94 94 ILE CA C 94 61.130 60.271 0.859 1 1 952 . 11 1 1 A 94 94 ILE CB C 94 38.830 39.199 -0.369 1 1 953 . 11 1 1 A 94 94 ILE N N 94 121.680 123.728 -2.048 1 1 954 . 11 1 1 A 95 95 ASN H H 95 8.847 8.890 -0.043 1 1 955 . 11 1 1 A 95 95 ASN HA H 95 4.796 5.317 -0.521 1 1 960 . 11 1 1 A 95 95 ASN C C 95 174.430 174.199 0.231 1 1 961 . 11 1 1 A 95 95 ASN CA C 95 52.560 51.276 1.284 1 1 962 . 11 1 1 A 95 95 ASN CB C 95 40.510 41.412 -0.902 1 1 963 . 11 1 1 A 95 95 ASN N N 95 127.100 124.715 2.385 1 1 965 . 11 1 1 A 96 96 GLU H H 96 9.303 9.448 -0.145 1 1 966 . 11 1 1 A 96 96 GLU HA H 96 3.768 4.020 -0.252 1 1 971 . 11 1 1 A 96 96 GLU C C 96 176.280 176.467 -0.187 1 1 972 . 11 1 1 A 96 96 GLU CA C 96 57.150 57.538 -0.388 1 1 973 . 11 1 1 A 96 96 GLU CB C 96 27.590 27.917 -0.327 1 1 974 . 11 1 1 A 96 96 GLU N N 96 125.150 120.571 4.579 1 1 975 . 11 1 1 A 97 97 GLY H H 97 7.937 8.563 -0.626 1 1 976 . 11 1 1 A 97 97 GLY HA2 H 97 4.042 3.705 0.337 1 1 977 . 11 1 1 A 97 97 GLY HA3 H 97 3.450 3.782 -0.332 1 1 978 . 11 1 1 A 97 97 GLY C C 97 172.990 173.559 -0.569 1 1 979 . 11 1 1 A 97 97 GLY CA C 97 45.390 45.262 0.128 1 1 980 . 11 1 1 A 97 97 GLY N N 97 104.330 104.689 -0.359 1 1 981 . 11 1 1 A 98 98 GLU H H 98 7.557 8.143 -0.586 1 1 982 . 11 1 1 A 98 98 GLU HA H 98 4.591 4.661 -0.070 1 1 987 . 11 1 1 A 98 98 GLU C C 98 174.530 175.787 -1.257 1 1 988 . 11 1 1 A 98 98 GLU CA C 98 54.770 54.471 0.299 1 1 989 . 11 1 1 A 98 98 GLU CB C 98 32.290 31.714 0.576 1 1 990 . 11 1 1 A 98 98 GLU N N 98 119.350 119.850 -0.500 1 1 991 . 11 1 1 A 99 99 PHE H H 99 9.412 9.115 0.297 1 1 992 . 11 1 1 A 99 99 PHE HA H 99 5.007 5.305 -0.298 1 1 999 . 11 1 1 A 99 99 PHE C C 99 174.050 175.262 -1.212 1 1 1000 . 11 1 1 A 99 99 PHE CA C 99 57.260 56.606 0.654 1 1 1001 . 11 1 1 A 99 99 PHE CB C 99 42.110 41.258 0.852 1 1 1002 . 11 1 1 A 99 99 PHE N N 99 122.550 120.967 1.583 1 1 1003 . 11 1 1 A 100 100 GLU H H 100 9.444 9.669 -0.225 1 1 1004 . 11 1 1 A 100 100 GLU HA H 100 5.145 5.128 0.017 1 1 1009 . 11 1 1 A 100 100 GLU C C 100 175.340 174.632 0.708 1 1 1010 . 11 1 1 A 100 100 GLU CA C 100 54.080 54.483 -0.403 1 1 1011 . 11 1 1 A 100 100 GLU CB C 100 34.720 33.480 1.240 1 1 1012 . 11 1 1 A 100 100 GLU N N 100 124.080 120.113 3.967 1 1 1013 . 11 1 1 A 101 101 VAL H H 101 8.726 8.959 -0.233 1 1 1014 . 11 1 1 A 101 101 VAL HA H 101 4.900 4.678 0.222 1 1 1022 . 11 1 1 A 101 101 VAL C C 101 172.510 174.681 -2.171 1 1 1023 . 11 1 1 A 101 101 VAL CA C 101 58.710 60.775 -2.065 1 1 1024 . 11 1 1 A 101 101 VAL CB C 101 33.550 33.858 -0.308 1 1 1025 . 11 1 1 A 101 101 VAL N N 101 124.500 122.475 2.025 1 1 1026 . 11 1 1 A 102 102 VAL H H 102 8.719 9.112 -0.393 1 1 1027 . 11 1 1 A 102 102 VAL HA H 102 4.578 4.830 -0.252 1 1 1035 . 11 1 1 A 102 102 VAL C C 102 175.380 173.852 1.528 1 1 1036 . 11 1 1 A 102 102 VAL CA C 102 60.370 59.988 0.382 1 1 1037 . 11 1 1 A 102 102 VAL CB C 102 36.060 34.293 1.767 1 1 1038 . 11 1 1 A 102 102 VAL N N 102 125.900 122.388 3.512 1 1 1039 . 11 1 1 A 103 103 ASP H H 103 8.626 9.338 -0.712 1 1 1040 . 11 1 1 A 103 103 ASP HA H 103 4.856 4.607 0.249 1 1 1043 . 11 1 1 A 103 103 ASP C C 103 177.300 176.714 0.586 1 1 1044 . 11 1 1 A 103 103 ASP CA C 103 54.580 54.311 0.269 1 1 1045 . 11 1 1 A 103 103 ASP CB C 103 44.210 42.059 2.151 1 1 1046 . 11 1 1 A 103 103 ASP N N 103 127.250 127.100 0.150 1 1 1047 . 11 1 1 A 104 104 VAL H H 104 7.890 9.002 -1.112 1 1 1048 . 11 1 1 A 104 104 VAL HA H 104 4.527 4.490 0.037 1 1 1056 . 11 1 1 A 104 104 VAL C C 104 174.490 175.651 -1.161 1 1 1057 . 11 1 1 A 104 104 VAL CA C 104 60.630 60.728 -0.098 1 1 1058 . 11 1 1 A 104 104 VAL CB C 104 29.350 33.019 -3.669 1 1 1059 . 11 1 1 A 104 104 VAL N N 104 119.270 120.356 -1.086 1 1 1060 . 11 1 1 A 105 105 GLY H H 105 8.690 7.265 1.425 1 1 1061 . 11 1 1 A 105 105 GLY HA2 H 105 4.270 3.985 0.285 1 1 1062 . 11 1 1 A 105 105 GLY HA3 H 105 3.685 4.003 -0.318 1 1 1063 . 11 1 1 A 105 105 GLY C C 105 175.490 174.129 1.361 1 1 1064 . 11 1 1 A 105 105 GLY CA C 105 45.650 45.631 0.019 1 1 1065 . 11 1 1 A 105 105 GLY N N 105 111.790 110.238 1.552 1 1 1066 . 11 1 1 A 106 106 SER H H 106 9.218 8.852 0.366 1 1 1067 . 11 1 1 A 106 106 SER HA H 106 3.894 4.632 -0.738 1 1 1070 . 11 1 1 A 106 106 SER C C 106 174.590 174.263 0.327 1 1 1071 . 11 1 1 A 106 106 SER CA C 106 58.600 58.565 0.035 1 1 1072 . 11 1 1 A 106 106 SER CB C 106 61.250 62.643 -1.393 1 1 1073 . 11 1 1 A 106 106 SER N N 106 121.540 118.655 2.885 1 1 1074 . 11 1 1 A 107 107 LEU H H 107 8.018 8.005 0.013 1 1 1075 . 11 1 1 A 107 107 LEU HA H 107 4.240 3.961 0.279 1 1 1085 . 11 1 1 A 107 107 LEU C C 107 179.420 178.060 1.360 1 1 1086 . 11 1 1 A 107 107 LEU CA C 107 57.590 58.070 -0.480 1 1 1087 . 11 1 1 A 107 107 LEU CB C 107 42.360 41.746 0.614 1 1 1088 . 11 1 1 A 107 107 LEU N N 107 121.520 123.268 -1.748 1 1 1089 . 11 1 1 A 108 108 ASN H H 108 8.799 7.774 1.025 1 1 1090 . 11 1 1 A 108 108 ASN HA H 108 4.986 4.844 0.142 1 1 1093 . 11 1 1 A 108 108 ASN C C 108 175.950 175.406 0.544 1 1 1094 . 11 1 1 A 108 108 ASN CA C 108 54.440 52.981 1.459 1 1 1095 . 11 1 1 A 108 108 ASN CB C 108 41.180 39.123 2.057 1 1 1096 . 11 1 1 A 108 108 ASN N N 108 111.800 115.062 -3.262 1 1 1097 . 11 1 1 A 109 109 GLY H H 109 8.025 7.776 0.249 1 1 1098 . 11 1 1 A 109 109 GLY HA2 H 109 4.237 3.707 0.530 1 1 1099 . 11 1 1 A 109 109 GLY HA3 H 109 3.621 3.831 -0.210 1 1 1100 . 11 1 1 A 109 109 GLY C C 109 173.820 174.417 -0.597 1 1 1101 . 11 1 1 A 109 109 GLY CA C 109 44.340 45.969 -1.629 1 1 1102 . 11 1 1 A 109 109 GLY N N 109 110.600 108.035 2.565 1 1 1103 . 11 1 1 A 110 110 THR H H 110 8.770 8.167 0.603 1 1 1104 . 11 1 1 A 110 110 THR HA H 110 4.797 4.429 0.368 1 1 1109 . 11 1 1 A 110 110 THR C C 110 172.570 173.626 -1.056 1 1 1110 . 11 1 1 A 110 110 THR CA C 110 64.540 63.193 1.347 1 1 1111 . 11 1 1 A 110 110 THR CB C 110 70.230 69.163 1.067 1 1 1112 . 11 1 1 A 110 110 THR N N 110 121.240 115.593 5.647 1 1 1113 . 11 1 1 A 111 111 TYR H H 111 8.272 9.252 -0.980 1 1 1114 . 11 1 1 A 111 111 TYR HA H 111 5.155 5.299 -0.144 1 1 1121 . 11 1 1 A 111 111 TYR C C 111 175.860 175.043 0.817 1 1 1122 . 11 1 1 A 111 111 TYR CA C 111 55.820 56.712 -0.892 1 1 1123 . 11 1 1 A 111 111 TYR CB C 111 41.100 43.251 -2.151 1 1 1124 . 11 1 1 A 111 111 TYR N N 111 123.680 124.804 -1.124 1 1 1125 . 11 1 1 A 112 112 VAL H H 112 9.017 9.218 -0.201 1 1 1126 . 11 1 1 A 112 112 VAL HA H 112 4.951 4.865 0.086 1 1 1134 . 11 1 1 A 112 112 VAL C C 112 176.780 176.140 0.640 1 1 1135 . 11 1 1 A 112 112 VAL CA C 112 61.130 61.064 0.066 1 1 1136 . 11 1 1 A 112 112 VAL CB C 112 32.870 33.920 -1.050 1 1 1137 . 11 1 1 A 112 112 VAL N N 112 121.300 122.522 -1.222 1 1 1138 . 11 1 1 A 113 113 ASN H H 113 10.285 10.134 0.151 1 1 1139 . 11 1 1 A 113 113 ASN HA H 113 4.483 4.452 0.031 1 1 1144 . 11 1 1 A 113 113 ASN C C 113 174.590 174.412 0.178 1 1 1145 . 11 1 1 A 113 113 ASN CA C 113 55.160 54.771 0.389 1 1 1146 . 11 1 1 A 113 113 ASN CB C 113 37.240 36.870 0.370 1 1 1147 . 11 1 1 A 113 113 ASN N N 113 129.510 127.308 2.202 1 1 1149 . 11 1 1 A 114 114 ARG H H 114 9.459 8.576 0.883 1 1 1150 . 11 1 1 A 114 114 ARG HA H 114 3.659 3.815 -0.156 1 1 1158 . 11 1 1 A 114 114 ARG C C 114 174.900 174.967 -0.067 1 1 1159 . 11 1 1 A 114 114 ARG CA C 114 58.280 57.575 0.705 1 1 1160 . 11 1 1 A 114 114 ARG CB C 114 27.250 27.556 -0.306 1 1 1161 . 11 1 1 A 114 114 ARG N N 114 106.570 108.999 -2.429 1 1 1163 . 11 1 1 A 115 115 GLU H H 115 7.827 7.819 0.008 1 1 1164 . 11 1 1 A 115 115 GLU HA H 115 5.153 4.858 0.295 1 1 1169 . 11 1 1 A 115 115 GLU C C 115 173.950 174.428 -0.478 1 1 1170 . 11 1 1 A 115 115 GLU CA C 115 52.990 53.085 -0.095 1 1 1171 . 11 1 1 A 115 115 GLU N N 115 119.780 118.646 1.134 1 1 1172 . 11 1 1 A 116 116 PRO HA H 116 3.983 4.456 -0.473 1 1 1177 . 11 1 1 A 116 116 PRO C C 116 177.780 175.323 2.457 1 1 1178 . 11 1 1 A 116 116 PRO CA C 116 62.910 63.343 -0.433 1 1 1179 . 11 1 1 A 116 116 PRO CB C 116 31.200 31.812 -0.612 1 1 1180 . 11 1 1 A 117 117 ARG H H 117 8.414 8.232 0.182 1 1 1181 . 11 1 1 A 117 117 ARG HA H 117 4.699 4.694 0.005 1 1 1189 . 11 1 1 A 117 117 ARG C C 117 175.260 174.868 0.392 1 1 1190 . 11 1 1 A 117 117 ARG CA C 117 52.990 55.140 -2.150 1 1 1191 . 11 1 1 A 117 117 ARG CB C 117 24.560 33.003 -8.443 1 1 1192 . 11 1 1 A 117 117 ARG N N 117 121.900 123.484 -1.584 1 1 1194 . 11 1 1 A 118 118 ASN H H 118 8.741 8.647 0.094 1 1 1195 . 11 1 1 A 118 118 ASN HA H 118 4.731 4.820 -0.089 1 1 1200 . 11 1 1 A 118 118 ASN C C 118 175.220 175.149 0.071 1 1 1201 . 11 1 1 A 118 118 ASN CA C 118 55.090 54.299 0.791 1 1 1202 . 11 1 1 A 118 118 ASN CB C 118 38.920 40.323 -1.403 1 1 1203 . 11 1 1 A 118 118 ASN N N 118 120.190 120.648 -0.458 1 1 1205 . 11 1 1 A 119 119 ALA H H 119 7.372 7.759 -0.387 1 1 1206 . 11 1 1 A 119 119 ALA HA H 119 5.319 5.136 0.183 1 1 1210 . 11 1 1 A 119 119 ALA C C 119 176.720 175.171 1.549 1 1 1211 . 11 1 1 A 119 119 ALA CA C 119 52.120 50.252 1.868 1 1 1212 . 11 1 1 A 119 119 ALA CB C 119 21.460 22.257 -0.797 1 1 1213 . 11 1 1 A 119 119 ALA N N 119 120.380 119.492 0.888 1 1 1214 . 11 1 1 A 120 120 GLN H H 120 8.787 8.718 0.069 1 1 1215 . 11 1 1 A 120 120 GLN HA H 120 4.505 4.678 -0.173 1 1 1222 . 11 1 1 A 120 120 GLN C C 120 174.380 173.706 0.674 1 1 1223 . 11 1 1 A 120 120 GLN CA C 120 56.030 54.860 1.170 1 1 1224 . 11 1 1 A 120 120 GLN CB C 120 32.790 32.856 -0.066 1 1 1225 . 11 1 1 A 120 120 GLN N N 120 121.180 121.407 -0.227 1 1 1227 . 11 1 1 A 121 121 VAL H H 121 8.692 8.882 -0.190 1 1 1228 . 11 1 1 A 121 121 VAL HA H 121 4.258 4.494 -0.236 1 1 1236 . 11 1 1 A 121 121 VAL C C 121 176.510 174.933 1.577 1 1 1237 . 11 1 1 A 121 121 VAL CA C 121 64.140 61.922 2.218 1 1 1238 . 11 1 1 A 121 121 VAL CB C 121 31.700 32.379 -0.679 1 1 1239 . 11 1 1 A 121 121 VAL N N 121 129.930 126.865 3.065 1 1 1240 . 11 1 1 A 122 122 MET H H 122 8.924 9.418 -0.494 1 1 1241 . 11 1 1 A 122 122 MET HA H 122 4.419 4.824 -0.405 1 1 1249 . 11 1 1 A 122 122 MET C C 122 174.380 175.796 -1.416 1 1 1250 . 11 1 1 A 122 122 MET CA C 122 55.740 54.283 1.457 1 1 1251 . 11 1 1 A 122 122 MET CB C 122 35.140 33.926 1.214 1 1 1252 . 11 1 1 A 122 122 MET N N 122 129.560 127.655 1.905 1 1 1253 . 11 1 1 A 123 123 GLN H H 123 9.002 9.187 -0.185 1 1 1254 . 11 1 1 A 123 123 GLN HA H 123 4.823 5.049 -0.226 1 1 1261 . 11 1 1 A 123 123 GLN C C 123 175.530 175.336 0.194 1 1 1262 . 11 1 1 A 123 123 GLN CA C 123 53.570 54.356 -0.786 1 1 1263 . 11 1 1 A 123 123 GLN CB C 123 32.290 32.791 -0.501 1 1 1264 . 11 1 1 A 123 123 GLN N N 123 119.810 125.214 -5.404 1 1 1266 . 11 1 1 A 124 124 THR H H 124 9.036 8.620 0.416 1 1 1267 . 11 1 1 A 124 124 THR HA H 124 4.208 4.211 -0.003 1 1 1272 . 11 1 1 A 124 124 THR C C 124 175.300 175.685 -0.385 1 1 1273 . 11 1 1 A 124 124 THR CA C 124 65.510 63.779 1.731 1 1 1274 . 11 1 1 A 124 124 THR CB C 124 69.560 68.698 0.862 1 1 1275 . 11 1 1 A 124 124 THR N N 124 119.570 117.240 2.330 1 1 1276 . 11 1 1 A 125 125 GLY H H 125 9.921 9.391 0.530 1 1 1277 . 11 1 1 A 125 125 GLY HA2 H 125 4.552 4.025 0.527 1 1 1278 . 11 1 1 A 125 125 GLY HA3 H 125 3.480 4.031 -0.551 1 1 1279 . 11 1 1 A 125 125 GLY C C 125 174.650 174.153 0.497 1 1 1280 . 11 1 1 A 125 125 GLY CA C 125 44.710 44.974 -0.264 1 1 1281 . 11 1 1 A 125 125 GLY N N 125 117.920 117.142 0.778 1 1 1282 . 11 1 1 A 126 126 ASP H H 126 8.638 8.021 0.617 1 1 1283 . 11 1 1 A 126 126 ASP HA H 126 4.876 4.936 -0.060 1 1 1286 . 11 1 1 A 126 126 ASP C C 126 174.650 175.822 -1.172 1 1 1287 . 11 1 1 A 126 126 ASP CA C 126 56.140 53.996 2.144 1 1 1288 . 11 1 1 A 126 126 ASP CB C 126 41.690 41.920 -0.230 1 1 1289 . 11 1 1 A 126 126 ASP N N 126 123.190 121.068 2.122 1 1 1290 . 11 1 1 A 127 127 GLU H H 127 8.316 9.239 -0.923 1 1 1291 . 11 1 1 A 127 127 GLU HA H 127 5.341 5.243 0.098 1 1 1296 . 11 1 1 A 127 127 GLU C C 127 175.990 174.978 1.012 1 1 1297 . 11 1 1 A 127 127 GLU CA C 127 54.440 54.893 -0.453 1 1 1298 . 11 1 1 A 127 127 GLU CB C 127 32.790 33.057 -0.267 1 1 1299 . 11 1 1 A 127 127 GLU N N 127 118.480 120.257 -1.777 1 1 1300 . 11 1 1 A 128 128 ILE H H 128 9.910 9.194 0.716 1 1 1301 . 11 1 1 A 128 128 ILE HA H 128 5.334 5.235 0.099 1 1 1311 . 11 1 1 A 128 128 ILE C C 128 174.700 174.263 0.437 1 1 1312 . 11 1 1 A 128 128 ILE CA C 128 59.470 60.377 -0.907 1 1 1313 . 11 1 1 A 128 128 ILE CB C 128 40.600 41.151 -0.551 1 1 1314 . 11 1 1 A 128 128 ILE N N 128 128.810 123.820 4.990 1 1 1315 . 11 1 1 A 129 129 GLN H H 129 9.502 9.676 -0.174 1 1 1316 . 11 1 1 A 129 129 GLN HA H 129 5.406 5.445 -0.039 1 1 1323 . 11 1 1 A 129 129 GLN C C 129 174.950 174.610 0.340 1 1 1324 . 11 1 1 A 129 129 GLN CA C 129 54.800 54.525 0.275 1 1 1325 . 11 1 1 A 129 129 GLN CB C 129 30.690 32.682 -1.992 1 1 1326 . 11 1 1 A 129 129 GLN N N 129 129.270 128.186 1.084 1 1 1328 . 11 1 1 A 130 130 ILE H H 130 8.498 9.144 -0.646 1 1 1329 . 11 1 1 A 130 130 ILE HA H 130 4.116 4.562 -0.446 1 1 1339 . 11 1 1 A 130 130 ILE C C 130 174.860 176.321 -1.461 1 1 1340 . 11 1 1 A 130 130 ILE CA C 130 60.740 60.106 0.634 1 1 1341 . 11 1 1 A 130 130 ILE CB C 130 41.440 38.715 2.725 1 1 1342 . 11 1 1 A 130 130 ILE N N 130 129.070 128.006 1.064 1 1 1343 . 11 1 1 A 131 131 GLY H H 131 9.924 8.999 0.925 1 1 1344 . 11 1 1 A 131 131 GLY HA2 H 131 3.768 3.976 -0.208 1 1 1345 . 11 1 1 A 131 131 GLY HA3 H 131 3.337 4.009 -0.672 1 1 1346 . 11 1 1 A 131 131 GLY C C 131 174.590 174.924 -0.334 1 1 1347 . 11 1 1 A 131 131 GLY CA C 131 46.700 47.475 -0.775 1 1 1348 . 11 1 1 A 131 131 GLY N N 131 116.470 118.398 -1.928 1 1 1349 . 11 1 1 A 132 132 LYS H H 132 7.141 8.713 -1.572 1 1 1350 . 11 1 1 A 132 132 LYS HA H 132 3.750 4.356 -0.606 1 1 1357 . 11 1 1 A 132 132 LYS C C 132 175.820 175.934 -0.114 1 1 1358 . 11 1 1 A 132 132 LYS CA C 132 57.550 56.843 0.707 1 1 1359 . 11 1 1 A 132 132 LYS CB C 132 33.300 32.463 0.837 1 1 1360 . 11 1 1 A 132 132 LYS N N 132 122.960 125.803 -2.843 1 1 1361 . 11 1 1 A 133 133 PHE H H 133 8.360 8.156 0.204 1 1 1362 . 11 1 1 A 133 133 PHE HA H 133 4.601 5.362 -0.761 1 1 1370 . 11 1 1 A 133 133 PHE C C 133 174.910 174.826 0.084 1 1 1371 . 11 1 1 A 133 133 PHE CA C 133 58.600 57.347 1.253 1 1 1372 . 11 1 1 A 133 133 PHE CB C 133 40.510 41.088 -0.578 1 1 1373 . 11 1 1 A 133 133 PHE N N 133 118.170 120.133 -1.963 1 1 1374 . 11 1 1 A 134 134 ARG H H 134 8.698 8.873 -0.175 1 1 1375 . 11 1 1 A 134 134 ARG HA H 134 5.212 5.186 0.026 1 1 1383 . 11 1 1 A 134 134 ARG C C 134 175.150 174.494 0.656 1 1 1384 . 11 1 1 A 134 134 ARG CA C 134 55.060 54.590 0.470 1 1 1385 . 11 1 1 A 134 134 ARG CB C 134 33.550 33.081 0.469 1 1 1386 . 11 1 1 A 134 134 ARG N N 134 120.770 122.598 -1.828 1 1 1388 . 11 1 1 A 135 135 LEU H H 135 9.904 9.599 0.305 1 1 1389 . 11 1 1 A 135 135 LEU HA H 135 5.544 5.470 0.074 1 1 1399 . 11 1 1 A 135 135 LEU C C 135 175.260 176.109 -0.849 1 1 1400 . 11 1 1 A 135 135 LEU CA C 135 53.930 53.377 0.553 1 1 1401 . 11 1 1 A 135 135 LEU CB C 135 45.550 44.512 1.038 1 1 1402 . 11 1 1 A 135 135 LEU N N 135 127.130 128.123 -0.993 1 1 1403 . 11 1 1 A 136 136 VAL H H 136 9.350 9.371 -0.021 1 1 1404 . 11 1 1 A 136 136 VAL HA H 136 5.226 4.926 0.300 1 1 1412 . 11 1 1 A 136 136 VAL C C 136 174.050 173.977 0.073 1 1 1413 . 11 1 1 A 136 136 VAL CA C 136 60.520 60.952 -0.432 1 1 1414 . 11 1 1 A 136 136 VAL CB C 136 34.890 33.864 1.026 1 1 1415 . 11 1 1 A 136 136 VAL N N 136 121.300 122.705 -1.405 1 1 1416 . 11 1 1 A 137 137 PHE H H 137 8.492 9.306 -0.814 1 1 1417 . 11 1 1 A 137 137 PHE HA H 137 5.007 5.162 -0.155 1 1 1424 . 11 1 1 A 137 137 PHE C C 137 173.340 173.889 -0.549 1 1 1425 . 11 1 1 A 137 137 PHE CA C 137 57.010 56.311 0.699 1 1 1426 . 11 1 1 A 137 137 PHE CB C 137 41.770 40.656 1.114 1 1 1427 . 11 1 1 A 137 137 PHE N N 137 127.550 128.913 -1.363 1 1 1428 . 11 1 1 A 138 138 LEU H H 138 8.535 8.973 -0.438 1 1 1429 . 11 1 1 A 138 138 LEU HA H 138 4.345 5.077 -0.732 1 1 1439 . 11 1 1 A 138 138 LEU C C 138 173.390 174.871 -1.481 1 1 1440 . 11 1 1 A 138 138 LEU CA C 138 53.680 53.469 0.211 1 1 1441 . 11 1 1 A 138 138 LEU CB C 138 45.210 45.444 -0.234 1 1 1442 . 11 1 1 A 138 138 LEU N N 138 128.590 128.519 0.071 1 1 1443 . 11 1 1 A 139 139 ALA H H 139 7.502 8.664 -1.162 1 1 1444 . 11 1 1 A 139 139 ALA HA H 139 3.952 4.972 -1.020 1 1 1448 . 11 1 1 A 139 139 ALA C C 139 178.010 177.326 0.684 1 1 1449 . 11 1 1 A 139 139 ALA CA C 139 51.650 50.373 1.277 1 1 1450 . 11 1 1 A 139 139 ALA CB C 139 20.700 20.432 0.268 1 1 1451 . 11 1 1 A 139 139 ALA N N 139 123.250 125.361 -2.111 1 1 1452 . 11 1 1 A 140 140 GLY H H 140 7.968 8.351 -0.383 1 1 1453 . 11 1 1 A 140 140 GLY HA2 H 140 4.202 4.182 0.020 1 1 1454 . 11 1 1 A 140 140 GLY HA3 H 140 3.595 4.194 -0.599 1 1 1455 . 11 1 1 A 140 140 GLY C C 140 171.240 170.810 0.430 1 1 1456 . 11 1 1 A 140 140 GLY CA C 140 44.710 45.303 -0.593 1 1 1457 . 11 1 1 A 140 140 GLY N N 140 108.040 109.923 -1.883 1 1 1458 . 11 1 1 A 141 141 PRO HA H 141 4.460 4.741 -0.281 1 1 1463 . 11 1 1 A 141 141 PRO C C 141 176.150 176.369 -0.219 1 1 1464 . 11 1 1 A 141 141 PRO CA C 141 63.230 62.646 0.584 1 1 1465 . 11 1 1 A 141 141 PRO CB C 141 32.370 32.377 -0.007 1 1 1466 . 11 1 1 A 142 142 ALA H H 142 8.496 8.501 -0.005 1 1 1467 . 11 1 1 A 142 142 ALA HA H 142 4.363 4.647 -0.284 1 1 1471 . 11 1 1 A 142 142 ALA C C 142 177.320 177.314 0.006 1 1 1472 . 11 1 1 A 142 142 ALA CA C 142 52.740 51.583 1.157 1 1 1473 . 11 1 1 A 142 142 ALA CB C 142 19.780 19.981 -0.201 1 1 1474 . 11 1 1 A 142 142 ALA N N 142 124.080 122.064 2.016 1 1 4 . 12 1 1 A 2 2 SER H H 2 8.404 8.660 -0.256 1 1 5 . 12 1 1 A 2 2 SER HA H 2 4.430 4.611 -0.181 1 1 8 . 12 1 1 A 2 2 SER C C 2 174.220 174.246 -0.026 1 1 9 . 12 1 1 A 2 2 SER CA C 2 58.650 58.906 -0.256 1 1 10 . 12 1 1 A 2 2 SER CB C 2 64.280 63.773 0.507 1 1 11 . 12 1 1 A 2 2 SER N N 2 116.880 116.071 0.809 1 1 12 . 12 1 1 A 3 3 ASP H H 3 8.314 8.981 -0.667 1 1 13 . 12 1 1 A 3 3 ASP HA H 3 4.594 5.497 -0.903 1 1 16 . 12 1 1 A 3 3 ASP C C 3 176.070 174.218 1.852 1 1 17 . 12 1 1 A 3 3 ASP CA C 3 54.580 52.644 1.936 1 1 18 . 12 1 1 A 3 3 ASP CB C 3 41.530 45.161 -3.631 1 1 19 . 12 1 1 A 3 3 ASP N N 3 122.210 123.229 -1.019 1 1 20 . 12 1 1 A 4 4 ASN H H 4 8.326 8.784 -0.458 1 1 21 . 12 1 1 A 4 4 ASN HA H 4 4.748 5.052 -0.304 1 1 24 . 12 1 1 A 4 4 ASN C C 4 175.130 173.419 1.711 1 1 25 . 12 1 1 A 4 4 ASN CA C 4 53.430 52.744 0.686 1 1 26 . 12 1 1 A 4 4 ASN CB C 4 38.920 43.077 -4.157 1 1 27 . 12 1 1 A 4 4 ASN N N 4 118.670 117.373 1.297 1 1 28 . 12 1 1 A 5 5 ASN H H 5 8.467 8.857 -0.390 1 1 29 . 12 1 1 A 5 5 ASN HA H 5 4.702 4.860 -0.158 1 1 32 . 12 1 1 A 5 5 ASN C C 5 175.700 175.840 -0.140 1 1 33 . 12 1 1 A 5 5 ASN CA C 5 53.610 52.717 0.893 1 1 34 . 12 1 1 A 5 5 ASN CB C 5 39.090 37.388 1.702 1 1 35 . 12 1 1 A 5 5 ASN N N 5 119.070 122.249 -3.179 1 1 36 . 12 1 1 A 6 6 GLY H H 6 8.333 8.564 -0.231 1 1 37 . 12 1 1 A 6 6 GLY HA2 H 6 3.960 3.911 0.049 1 1 38 . 12 1 1 A 6 6 GLY HA3 H 6 3.960 3.911 0.049 1 1 39 . 12 1 1 A 6 6 GLY C C 6 174.050 174.173 -0.123 1 1 40 . 12 1 1 A 6 6 GLY CA C 6 45.390 45.467 -0.077 1 1 41 . 12 1 1 A 6 6 GLY N N 6 109.000 110.526 -1.526 1 1 42 . 12 1 1 A 7 7 THR H H 7 8.076 7.698 0.378 1 1 43 . 12 1 1 A 7 7 THR HA H 7 4.591 4.338 0.253 1 1 48 . 12 1 1 A 7 7 THR C C 7 172.840 172.881 -0.041 1 1 49 . 12 1 1 A 7 7 THR CA C 7 60.050 60.131 -0.081 1 1 50 . 12 1 1 A 7 7 THR N N 7 116.910 116.659 0.251 1 1 51 . 12 1 1 A 8 8 PRO HA H 8 4.414 4.483 -0.069 1 1 54 . 12 1 1 A 8 8 PRO C C 8 176.690 176.281 0.409 1 1 55 . 12 1 1 A 8 8 PRO CA C 8 63.090 62.432 0.658 1 1 56 . 12 1 1 A 8 8 PRO CB C 8 32.290 32.039 0.251 1 1 57 . 12 1 1 A 9 9 GLU H H 9 8.467 8.571 -0.104 1 1 58 . 12 1 1 A 9 9 GLU HA H 9 4.527 4.659 -0.132 1 1 63 . 12 1 1 A 9 9 GLU C C 9 174.680 174.923 -0.243 1 1 64 . 12 1 1 A 9 9 GLU CA C 9 54.550 54.179 0.371 1 1 65 . 12 1 1 A 9 9 GLU N N 9 122.910 121.008 1.902 1 1 66 . 12 1 1 A 10 10 PRO HA H 10 4.371 4.646 -0.275 1 1 71 . 12 1 1 A 10 10 PRO C C 10 176.820 176.710 0.110 1 1 72 . 12 1 1 A 10 10 PRO CA C 10 63.300 62.819 0.481 1 1 73 . 12 1 1 A 10 10 PRO CB C 10 32.290 32.133 0.157 1 1 74 . 12 1 1 A 11 11 GLN H H 11 8.543 8.458 0.085 1 1 75 . 12 1 1 A 11 11 GLN HA H 11 4.334 4.747 -0.413 1 1 82 . 12 1 1 A 11 11 GLN C C 11 176.010 175.279 0.731 1 1 83 . 12 1 1 A 11 11 GLN CA C 11 55.710 55.403 0.307 1 1 84 . 12 1 1 A 11 11 GLN CB C 11 29.520 30.527 -1.007 1 1 85 . 12 1 1 A 11 11 GLN N N 11 121.100 120.852 0.248 1 1 87 . 12 1 1 A 12 12 VAL H H 12 8.201 8.615 -0.414 1 1 88 . 12 1 1 A 12 12 VAL HA H 12 4.144 4.775 -0.631 1 1 96 . 12 1 1 A 12 12 VAL C C 12 175.940 174.631 1.309 1 1 97 . 12 1 1 A 12 12 VAL CA C 12 62.110 61.183 0.927 1 1 98 . 12 1 1 A 12 12 VAL CB C 12 32.800 33.251 -0.451 1 1 99 . 12 1 1 A 12 12 VAL N N 12 122.070 122.893 -0.823 1 1 100 . 12 1 1 A 13 13 GLU H H 13 8.593 8.680 -0.087 1 1 101 . 12 1 1 A 13 13 GLU HA H 13 4.329 4.752 -0.423 1 1 106 . 12 1 1 A 13 13 GLU C C 13 176.720 174.754 1.966 1 1 107 . 12 1 1 A 13 13 GLU CA C 13 56.830 54.644 2.186 1 1 108 . 12 1 1 A 13 13 GLU CB C 13 30.860 33.618 -2.758 1 1 109 . 12 1 1 A 13 13 GLU N N 13 124.660 126.656 -1.996 1 1 138 . 12 1 1 A 17 17 VAL H H 17 8.458 8.277 0.181 1 1 139 . 12 1 1 A 17 17 VAL HA H 17 4.183 4.378 -0.195 1 1 147 . 12 1 1 A 17 17 VAL C C 17 175.950 175.168 0.782 1 1 148 . 12 1 1 A 17 17 VAL CA C 17 63.780 62.406 1.374 1 1 149 . 12 1 1 A 17 17 VAL CB C 17 32.460 31.109 1.351 1 1 150 . 12 1 1 A 17 17 VAL N N 17 124.860 124.913 -0.053 1 1 151 . 12 1 1 A 18 18 PHE H H 18 8.579 9.505 -0.926 1 1 152 . 12 1 1 A 18 18 PHE HA H 18 4.650 5.006 -0.356 1 1 160 . 12 1 1 A 18 18 PHE C C 18 173.450 174.582 -1.132 1 1 161 . 12 1 1 A 18 18 PHE CA C 18 57.480 56.031 1.449 1 1 162 . 12 1 1 A 18 18 PHE CB C 18 41.950 41.095 0.855 1 1 163 . 12 1 1 A 18 18 PHE N N 18 127.160 126.518 0.642 1 1 164 . 12 1 1 A 19 19 ARG H H 19 7.920 8.620 -0.700 1 1 165 . 12 1 1 A 19 19 ARG HA H 19 4.196 4.548 -0.352 1 1 170 . 12 1 1 A 19 19 ARG C C 19 174.930 175.178 -0.248 1 1 171 . 12 1 1 A 19 19 ARG CA C 19 54.800 55.990 -1.190 1 1 172 . 12 1 1 A 19 19 ARG CB C 19 30.610 30.872 -0.262 1 1 173 . 12 1 1 A 19 19 ARG N N 19 127.500 124.986 2.514 1 1 174 . 12 1 1 A 20 20 ALA H H 20 8.067 8.772 -0.705 1 1 175 . 12 1 1 A 20 20 ALA HA H 20 3.729 4.464 -0.735 1 1 179 . 12 1 1 A 20 20 ALA C C 20 177.630 178.051 -0.421 1 1 180 . 12 1 1 A 20 20 ALA CA C 20 53.280 52.835 0.445 1 1 181 . 12 1 1 A 20 20 ALA CB C 20 18.860 19.347 -0.487 1 1 182 . 12 1 1 A 20 20 ALA N N 20 126.460 129.583 -3.123 1 1 183 . 12 1 1 A 21 21 ASP H H 21 8.355 9.119 -0.764 1 1 184 . 12 1 1 A 21 21 ASP HA H 21 4.350 4.279 0.071 1 1 187 . 12 1 1 A 21 21 ASP C C 21 176.720 177.746 -1.026 1 1 188 . 12 1 1 A 21 21 ASP CA C 21 54.480 56.700 -2.220 1 1 189 . 12 1 1 A 21 21 ASP CB C 21 40.350 40.763 -0.413 1 1 190 . 12 1 1 A 21 21 ASP N N 21 117.850 126.330 -8.480 1 1 191 . 12 1 1 A 22 22 LEU H H 22 7.705 7.787 -0.082 1 1 192 . 12 1 1 A 22 22 LEU HA H 22 4.088 4.369 -0.281 1 1 202 . 12 1 1 A 22 22 LEU C C 22 177.760 178.000 -0.240 1 1 203 . 12 1 1 A 22 22 LEU CA C 22 55.780 57.278 -1.498 1 1 204 . 12 1 1 A 22 22 LEU CB C 22 41.860 41.597 0.263 1 1 205 . 12 1 1 A 22 22 LEU N N 22 121.600 118.396 3.204 1 1 206 . 12 1 1 A 23 23 LEU H H 23 7.717 7.873 -0.156 1 1 207 . 12 1 1 A 23 23 LEU HA H 23 4.166 3.760 0.406 1 1 217 . 12 1 1 A 23 23 LEU C C 23 177.840 178.412 -0.572 1 1 218 . 12 1 1 A 23 23 LEU CA C 23 55.960 57.644 -1.684 1 1 219 . 12 1 1 A 23 23 LEU CB C 23 41.950 41.200 0.750 1 1 220 . 12 1 1 A 23 23 LEU N N 23 120.360 120.914 -0.554 1 1 221 . 12 1 1 A 24 24 LYS H H 24 7.933 7.815 0.118 1 1 222 . 12 1 1 A 24 24 LYS HA H 24 4.174 4.081 0.093 1 1 229 . 12 1 1 A 24 24 LYS C C 24 177.190 179.451 -2.261 1 1 230 . 12 1 1 A 24 24 LYS CA C 24 57.050 59.586 -2.536 1 1 231 . 12 1 1 A 24 24 LYS CB C 24 32.880 31.899 0.981 1 1 232 . 12 1 1 A 24 24 LYS N N 24 121.120 118.447 2.673 1 1 233 . 12 1 1 A 25 25 GLU H H 25 8.160 8.001 0.159 1 1 234 . 12 1 1 A 25 25 GLU HA H 25 4.199 4.109 0.090 1 1 239 . 12 1 1 A 25 25 GLU C C 25 176.900 179.384 -2.484 1 1 240 . 12 1 1 A 25 25 GLU CA C 25 57.010 59.481 -2.471 1 1 241 . 12 1 1 A 25 25 GLU CB C 25 30.280 28.760 1.520 1 1 242 . 12 1 1 A 25 25 GLU N N 25 121.550 120.262 1.288 1 1 243 . 12 1 1 A 26 26 MET H H 26 8.270 8.292 -0.022 1 1 244 . 12 1 1 A 26 26 MET HA H 26 4.360 3.965 0.395 1 1 252 . 12 1 1 A 26 26 MET C C 26 176.440 178.684 -2.244 1 1 253 . 12 1 1 A 26 26 MET CA C 26 56.180 59.569 -3.389 1 1 254 . 12 1 1 A 26 26 MET CB C 26 33.050 33.198 -0.148 1 1 255 . 12 1 1 A 26 26 MET N N 26 120.730 119.580 1.150 1 1 256 . 12 1 1 A 27 27 GLU H H 27 8.297 7.513 0.784 1 1 257 . 12 1 1 A 27 27 GLU HA H 27 4.264 4.042 0.222 1 1 262 . 12 1 1 A 27 27 GLU C C 27 176.650 179.109 -2.459 1 1 263 . 12 1 1 A 27 27 GLU CA C 27 56.830 59.395 -2.565 1 1 264 . 12 1 1 A 27 27 GLU CB C 27 30.530 29.498 1.032 1 1 265 . 12 1 1 A 27 27 GLU N N 27 121.650 119.165 2.485 1 1 266 . 12 1 1 A 28 28 SER H H 28 8.279 7.782 0.497 1 1 267 . 12 1 1 A 28 28 SER HA H 28 4.473 4.252 0.221 1 1 270 . 12 1 1 A 28 28 SER C C 28 174.760 176.550 -1.790 1 1 271 . 12 1 1 A 28 28 SER CA C 28 58.460 61.586 -3.126 1 1 272 . 12 1 1 A 28 28 SER CB C 28 64.190 63.210 0.980 1 1 273 . 12 1 1 A 28 28 SER N N 28 116.610 117.466 -0.856 1 1 274 . 12 1 1 A 29 29 SER H H 29 8.443 7.720 0.723 1 1 275 . 12 1 1 A 29 29 SER HA H 29 4.541 4.389 0.152 1 1 278 . 12 1 1 A 29 29 SER C C 29 174.950 175.279 -0.329 1 1 279 . 12 1 1 A 29 29 SER CA C 29 58.530 61.316 -2.786 1 1 280 . 12 1 1 A 29 29 SER CB C 29 64.190 63.186 1.004 1 1 281 . 12 1 1 A 29 29 SER N N 29 118.290 114.446 3.844 1 1 282 . 12 1 1 A 30 30 THR H H 30 8.220 7.639 0.581 1 1 283 . 12 1 1 A 30 30 THR HA H 30 4.372 4.048 0.324 1 1 288 . 12 1 1 A 30 30 THR C C 30 175.280 175.721 -0.441 1 1 289 . 12 1 1 A 30 30 THR CA C 30 62.260 65.017 -2.757 1 1 290 . 12 1 1 A 30 30 THR CB C 30 69.900 68.419 1.481 1 1 291 . 12 1 1 A 30 30 THR N N 30 115.600 115.336 0.264 1 1 292 . 12 1 1 A 31 31 GLY H H 31 8.401 8.719 -0.318 1 1 293 . 12 1 1 A 31 31 GLY HA2 H 31 4.005 4.011 -0.006 1 1 294 . 12 1 1 A 31 31 GLY HA3 H 31 4.005 4.012 -0.007 1 1 295 . 12 1 1 A 31 31 GLY C C 31 174.160 173.919 0.241 1 1 296 . 12 1 1 A 31 31 GLY CA C 31 45.470 45.367 0.103 1 1 297 . 12 1 1 A 31 31 GLY N N 31 111.270 114.633 -3.363 1 1 298 . 12 1 1 A 32 32 THR H H 32 8.034 7.574 0.460 1 1 299 . 12 1 1 A 32 32 THR HA H 32 4.319 4.541 -0.222 1 1 304 . 12 1 1 A 32 32 THR C C 32 174.130 173.321 0.809 1 1 305 . 12 1 1 A 32 32 THR CA C 32 61.710 61.425 0.285 1 1 306 . 12 1 1 A 32 32 THR CB C 32 70.150 70.334 -0.184 1 1 307 . 12 1 1 A 32 32 THR N N 32 113.770 115.048 -1.278 1 1 308 . 12 1 1 A 33 33 ALA H H 33 8.410 8.872 -0.462 1 1 309 . 12 1 1 A 33 33 ALA HA H 33 4.581 4.797 -0.216 1 1 313 . 12 1 1 A 33 33 ALA C C 33 175.490 175.971 -0.481 1 1 314 . 12 1 1 A 33 33 ALA CA C 33 50.680 50.154 0.526 1 1 315 . 12 1 1 A 33 33 ALA N N 33 128.320 130.221 -1.901 1 1 316 . 12 1 1 A 34 34 PRO HA H 34 4.389 4.629 -0.240 1 1 321 . 12 1 1 A 34 34 PRO C C 34 176.650 175.552 1.098 1 1 322 . 12 1 1 A 34 34 PRO CA C 34 63.090 62.445 0.645 1 1 323 . 12 1 1 A 34 34 PRO CB C 34 32.210 32.737 -0.527 1 1 324 . 12 1 1 A 35 35 ALA H H 35 8.433 8.355 0.078 1 1 325 . 12 1 1 A 35 35 ALA HA H 35 4.275 5.008 -0.733 1 1 329 . 12 1 1 A 35 35 ALA C C 35 177.730 176.343 1.387 1 1 330 . 12 1 1 A 35 35 ALA CA C 35 52.590 50.617 1.973 1 1 331 . 12 1 1 A 35 35 ALA CB C 35 19.450 20.835 -1.385 1 1 332 . 12 1 1 A 35 35 ALA N N 35 124.330 124.289 0.041 1 1 333 . 12 1 1 A 36 36 SER H H 36 8.259 8.784 -0.525 1 1 334 . 12 1 1 A 36 36 SER HA H 36 4.474 5.609 -1.135 1 1 337 . 12 1 1 A 36 36 SER C C 36 174.860 173.443 1.417 1 1 338 . 12 1 1 A 36 36 SER CA C 36 58.130 57.700 0.430 1 1 339 . 12 1 1 A 36 36 SER CB C 36 64.190 65.317 -1.127 1 1 340 . 12 1 1 A 36 36 SER N N 36 114.560 118.392 -3.832 1 1 341 . 12 1 1 A 37 37 THR H H 37 8.325 8.406 -0.081 1 1 342 . 12 1 1 A 37 37 THR HA H 37 4.281 4.855 -0.574 1 1 346 . 12 1 1 A 37 37 THR C C 37 175.110 174.777 0.333 1 1 347 . 12 1 1 A 37 37 THR CA C 37 62.260 60.973 1.287 1 1 348 . 12 1 1 A 37 37 THR CB C 37 70.150 73.238 -3.088 1 1 349 . 12 1 1 A 37 37 THR N N 37 115.300 119.462 -4.162 1 1 350 . 12 1 1 A 38 38 GLY H H 38 8.511 9.071 -0.560 1 1 351 . 12 1 1 A 38 38 GLY HA2 H 38 3.975 3.949 0.026 1 1 352 . 12 1 1 A 38 38 GLY HA3 H 38 3.809 3.968 -0.159 1 1 353 . 12 1 1 A 38 38 GLY C C 38 174.470 175.618 -1.148 1 1 354 . 12 1 1 A 38 38 GLY CA C 38 45.470 45.382 0.088 1 1 355 . 12 1 1 A 38 38 GLY N N 38 110.440 113.714 -3.274 1 1 356 . 12 1 1 A 39 39 ALA H H 39 8.245 8.302 -0.057 1 1 357 . 12 1 1 A 39 39 ALA HA H 39 4.164 4.103 0.061 1 1 361 . 12 1 1 A 39 39 ALA C C 39 177.590 179.495 -1.905 1 1 362 . 12 1 1 A 39 39 ALA CA C 39 52.560 54.605 -2.045 1 1 363 . 12 1 1 A 39 39 ALA CB C 39 19.360 18.584 0.776 1 1 364 . 12 1 1 A 39 39 ALA N N 39 124.080 123.989 0.091 1 1 365 . 12 1 1 A 40 40 GLU H H 40 8.721 8.442 0.279 1 1 366 . 12 1 1 A 40 40 GLU HA H 40 4.083 4.183 -0.100 1 1 371 . 12 1 1 A 40 40 GLU C C 40 176.320 176.946 -0.626 1 1 372 . 12 1 1 A 40 40 GLU CA C 40 57.910 57.638 0.272 1 1 373 . 12 1 1 A 40 40 GLU CB C 40 29.520 28.970 0.550 1 1 374 . 12 1 1 A 40 40 GLU N N 40 118.270 115.764 2.506 1 1 375 . 12 1 1 A 41 41 ASN H H 41 8.226 7.946 0.280 1 1 376 . 12 1 1 A 41 41 ASN HA H 41 4.716 4.797 -0.081 1 1 381 . 12 1 1 A 41 41 ASN C C 41 174.800 174.889 -0.089 1 1 382 . 12 1 1 A 41 41 ASN CA C 41 52.880 53.490 -0.610 1 1 383 . 12 1 1 A 41 41 ASN CB C 41 38.840 39.387 -0.547 1 1 384 . 12 1 1 A 41 41 ASN N N 41 117.620 116.940 0.680 1 1 386 . 12 1 1 A 42 42 LEU H H 42 7.629 7.617 0.012 1 1 387 . 12 1 1 A 42 42 LEU HA H 42 4.418 4.072 0.346 1 1 397 . 12 1 1 A 42 42 LEU C C 42 174.610 176.901 -2.291 1 1 398 . 12 1 1 A 42 42 LEU CA C 42 53.170 55.709 -2.539 1 1 399 . 12 1 1 A 42 42 LEU N N 42 123.010 116.596 6.414 1 1 400 . 12 1 1 A 43 43 PRO HA H 43 4.366 4.296 0.070 1 1 407 . 12 1 1 A 43 43 PRO C C 43 177.050 177.966 -0.916 1 1 408 . 12 1 1 A 43 43 PRO CA C 43 62.260 66.301 -4.041 1 1 409 . 12 1 1 A 43 43 PRO CB C 43 32.380 31.227 1.153 1 1 410 . 12 1 1 A 44 44 ALA H H 44 8.552 7.557 0.995 1 1 411 . 12 1 1 A 44 44 ALA HA H 44 4.223 4.362 -0.139 1 1 415 . 12 1 1 A 44 44 ALA C C 44 179.500 178.101 1.399 1 1 416 . 12 1 1 A 44 44 ALA CA C 44 53.250 52.015 1.235 1 1 417 . 12 1 1 A 44 44 ALA CB C 44 18.190 20.112 -1.922 1 1 418 . 12 1 1 A 44 44 ALA N N 44 125.070 117.783 7.287 1 1 419 . 12 1 1 A 45 45 GLY H H 45 8.897 9.321 -0.424 1 1 420 . 12 1 1 A 45 45 GLY HA2 H 45 4.214 3.903 0.311 1 1 421 . 12 1 1 A 45 45 GLY HA3 H 45 3.833 3.953 -0.120 1 1 422 . 12 1 1 A 45 45 GLY C C 45 173.720 173.505 0.215 1 1 423 . 12 1 1 A 45 45 GLY CA C 45 45.790 45.850 -0.060 1 1 424 . 12 1 1 A 45 45 GLY N N 45 110.600 108.566 2.034 1 1 425 . 12 1 1 A 46 46 SER H H 46 7.690 7.901 -0.211 1 1 426 . 12 1 1 A 46 46 SER HA H 46 5.338 5.358 -0.020 1 1 429 . 12 1 1 A 46 46 SER C C 46 172.990 172.049 0.941 1 1 430 . 12 1 1 A 46 46 SER CA C 46 57.810 57.901 -0.091 1 1 431 . 12 1 1 A 46 46 SER CB C 46 66.960 67.337 -0.377 1 1 432 . 12 1 1 A 46 46 SER N N 46 114.180 114.615 -0.435 1 1 433 . 12 1 1 A 47 47 ALA H H 47 8.435 8.491 -0.056 1 1 434 . 12 1 1 A 47 47 ALA HA H 47 4.338 4.849 -0.511 1 1 438 . 12 1 1 A 47 47 ALA C C 47 173.840 175.895 -2.055 1 1 439 . 12 1 1 A 47 47 ALA CA C 47 51.690 51.360 0.330 1 1 440 . 12 1 1 A 47 47 ALA CB C 47 24.570 23.222 1.348 1 1 441 . 12 1 1 A 47 47 ALA N N 47 120.900 123.256 -2.356 1 1 442 . 12 1 1 A 48 48 LEU H H 48 8.673 8.248 0.425 1 1 443 . 12 1 1 A 48 48 LEU HA H 48 5.021 5.549 -0.528 1 1 453 . 12 1 1 A 48 48 LEU C C 48 174.680 175.511 -0.831 1 1 454 . 12 1 1 A 48 48 LEU CA C 48 53.350 52.451 0.899 1 1 455 . 12 1 1 A 48 48 LEU CB C 48 48.150 45.758 2.392 1 1 456 . 12 1 1 A 48 48 LEU N N 48 120.170 115.633 4.537 1 1 457 . 12 1 1 A 49 49 LEU H H 49 8.686 9.064 -0.378 1 1 458 . 12 1 1 A 49 49 LEU HA H 49 5.403 5.448 -0.045 1 1 468 . 12 1 1 A 49 49 LEU C C 49 176.170 174.686 1.484 1 1 469 . 12 1 1 A 49 49 LEU CA C 49 52.810 52.910 -0.100 1 1 470 . 12 1 1 A 49 49 LEU CB C 49 46.310 45.634 0.676 1 1 471 . 12 1 1 A 49 49 LEU N N 49 120.170 118.911 1.259 1 1 472 . 12 1 1 A 50 50 VAL H H 50 8.874 9.369 -0.495 1 1 473 . 12 1 1 A 50 50 VAL HA H 50 4.971 5.067 -0.096 1 1 481 . 12 1 1 A 50 50 VAL C C 50 176.740 173.992 2.748 1 1 482 . 12 1 1 A 50 50 VAL CA C 50 59.940 59.865 0.075 1 1 483 . 12 1 1 A 50 50 VAL CB C 50 34.970 34.329 0.641 1 1 484 . 12 1 1 A 50 50 VAL N N 50 120.580 121.037 -0.457 1 1 485 . 12 1 1 A 51 51 VAL H H 51 8.984 9.268 -0.284 1 1 486 . 12 1 1 A 51 51 VAL HA H 51 4.155 4.227 -0.072 1 1 494 . 12 1 1 A 51 51 VAL C C 51 176.050 175.753 0.297 1 1 495 . 12 1 1 A 51 51 VAL CA C 51 64.280 62.846 1.434 1 1 496 . 12 1 1 A 51 51 VAL CB C 51 31.280 31.611 -0.331 1 1 497 . 12 1 1 A 51 51 VAL N N 51 125.710 128.247 -2.537 1 1 498 . 12 1 1 A 52 52 LYS H H 52 9.444 9.402 0.042 1 1 499 . 12 1 1 A 52 52 LYS HA H 52 4.450 4.430 0.020 1 1 506 . 12 1 1 A 52 52 LYS C C 52 176.150 176.739 -0.589 1 1 507 . 12 1 1 A 52 52 LYS CA C 52 57.050 57.004 0.046 1 1 508 . 12 1 1 A 52 52 LYS CB C 52 34.470 33.591 0.879 1 1 509 . 12 1 1 A 52 52 LYS N N 52 132.750 127.320 5.430 1 1 510 . 12 1 1 A 53 53 ARG H H 53 8.051 7.403 0.648 1 1 511 . 12 1 1 A 53 53 ARG HA H 53 4.685 4.853 -0.168 1 1 516 . 12 1 1 A 53 53 ARG C C 53 173.470 174.703 -1.233 1 1 517 . 12 1 1 A 53 53 ARG CA C 53 55.090 55.146 -0.056 1 1 518 . 12 1 1 A 53 53 ARG CB C 53 34.300 34.117 0.183 1 1 519 . 12 1 1 A 53 53 ARG N N 53 117.320 119.012 -1.692 1 1 520 . 12 1 1 A 54 54 GLY H H 54 8.377 8.253 0.124 1 1 521 . 12 1 1 A 54 54 GLY HA2 H 54 4.215 3.788 0.427 1 1 522 . 12 1 1 A 54 54 GLY HA3 H 54 3.503 3.845 -0.342 1 1 523 . 12 1 1 A 54 54 GLY C C 54 171.870 173.893 -2.023 1 1 524 . 12 1 1 A 54 54 GLY CA C 54 43.770 44.214 -0.444 1 1 525 . 12 1 1 A 54 54 GLY N N 54 110.960 112.483 -1.523 1 1 526 . 12 1 1 A 55 55 PRO HA H 55 4.255 4.387 -0.132 1 1 531 . 12 1 1 A 55 55 PRO C C 55 175.940 177.649 -1.709 1 1 532 . 12 1 1 A 55 55 PRO CA C 55 64.390 64.994 -0.604 1 1 533 . 12 1 1 A 55 55 PRO CB C 55 31.360 31.944 -0.584 1 1 534 . 12 1 1 A 56 56 ASN H H 56 8.202 8.514 -0.312 1 1 535 . 12 1 1 A 56 56 ASN HA H 56 4.685 5.011 -0.326 1 1 540 . 12 1 1 A 56 56 ASN C C 56 174.410 174.980 -0.570 1 1 541 . 12 1 1 A 56 56 ASN CA C 56 52.120 52.903 -0.783 1 1 542 . 12 1 1 A 56 56 ASN CB C 56 37.070 39.225 -2.155 1 1 543 . 12 1 1 A 56 56 ASN N N 56 114.760 115.037 -0.277 1 1 545 . 12 1 1 A 57 57 ALA H H 57 7.283 7.719 -0.436 1 1 546 . 12 1 1 A 57 57 ALA HA H 57 3.618 4.147 -0.529 1 1 550 . 12 1 1 A 57 57 ALA C C 57 178.090 178.408 -0.318 1 1 551 . 12 1 1 A 57 57 ALA CA C 57 54.480 53.802 0.678 1 1 552 . 12 1 1 A 57 57 ALA CB C 57 17.760 18.685 -0.925 1 1 553 . 12 1 1 A 57 57 ALA N N 57 120.380 122.343 -1.963 1 1 554 . 12 1 1 A 58 58 GLY H H 58 9.052 9.154 -0.102 1 1 555 . 12 1 1 A 58 58 GLY HA2 H 58 4.449 4.012 0.437 1 1 556 . 12 1 1 A 58 58 GLY HA3 H 58 3.415 4.016 -0.601 1 1 557 . 12 1 1 A 58 58 GLY C C 58 174.610 174.164 0.446 1 1 558 . 12 1 1 A 58 58 GLY CA C 58 44.530 45.030 -0.500 1 1 559 . 12 1 1 A 58 58 GLY N N 58 112.180 110.374 1.806 1 1 560 . 12 1 1 A 59 59 ALA H H 59 8.171 7.572 0.599 1 1 561 . 12 1 1 A 59 59 ALA HA H 59 4.081 4.309 -0.228 1 1 565 . 12 1 1 A 59 59 ALA C C 59 175.220 176.720 -1.500 1 1 566 . 12 1 1 A 59 59 ALA CA C 59 53.170 51.435 1.735 1 1 567 . 12 1 1 A 59 59 ALA CB C 59 19.360 20.024 -0.664 1 1 568 . 12 1 1 A 59 59 ALA N N 59 124.650 123.684 0.966 1 1 569 . 12 1 1 A 60 60 ARG H H 60 7.751 8.851 -1.100 1 1 570 . 12 1 1 A 60 60 ARG HA H 60 5.105 5.215 -0.110 1 1 575 . 12 1 1 A 60 60 ARG C C 60 175.320 174.798 0.522 1 1 576 . 12 1 1 A 60 60 ARG CA C 60 54.150 54.306 -0.156 1 1 577 . 12 1 1 A 60 60 ARG CB C 60 34.130 33.572 0.558 1 1 578 . 12 1 1 A 60 60 ARG N N 60 116.920 119.057 -2.137 1 1 579 . 12 1 1 A 61 61 PHE H H 61 9.213 9.475 -0.262 1 1 580 . 12 1 1 A 61 61 PHE HA H 61 4.788 5.104 -0.316 1 1 587 . 12 1 1 A 61 61 PHE C C 61 173.930 174.562 -0.632 1 1 588 . 12 1 1 A 61 61 PHE CA C 61 56.500 56.721 -0.221 1 1 589 . 12 1 1 A 61 61 PHE CB C 61 41.860 41.190 0.670 1 1 590 . 12 1 1 A 61 61 PHE N N 61 121.090 120.651 0.439 1 1 591 . 12 1 1 A 62 62 LEU H H 62 8.638 8.945 -0.307 1 1 592 . 12 1 1 A 62 62 LEU HA H 62 4.566 4.795 -0.229 1 1 602 . 12 1 1 A 62 62 LEU C C 62 176.570 174.664 1.906 1 1 603 . 12 1 1 A 62 62 LEU CA C 62 55.130 54.372 0.758 1 1 604 . 12 1 1 A 62 62 LEU CB C 62 43.620 43.185 0.435 1 1 605 . 12 1 1 A 62 62 LEU N N 62 125.630 126.947 -1.317 1 1 606 . 12 1 1 A 63 63 LEU H H 63 8.929 9.684 -0.755 1 1 607 . 12 1 1 A 63 63 LEU HA H 63 4.852 4.682 0.170 1 1 617 . 12 1 1 A 63 63 LEU C C 63 175.070 177.333 -2.263 1 1 618 . 12 1 1 A 63 63 LEU CA C 63 53.170 54.003 -0.833 1 1 619 . 12 1 1 A 63 63 LEU CB C 63 42.110 41.953 0.157 1 1 620 . 12 1 1 A 63 63 LEU N N 63 125.980 129.118 -3.138 1 1 621 . 12 1 1 A 64 64 ASP H H 64 8.601 8.892 -0.291 1 1 622 . 12 1 1 A 64 64 ASP HA H 64 4.736 5.035 -0.299 1 1 625 . 12 1 1 A 64 64 ASP C C 64 175.130 176.060 -0.930 1 1 626 . 12 1 1 A 64 64 ASP CA C 64 53.640 53.251 0.389 1 1 627 . 12 1 1 A 64 64 ASP CB C 64 41.020 41.722 -0.702 1 1 628 . 12 1 1 A 64 64 ASP N N 64 120.910 118.841 2.069 1 1 629 . 12 1 1 A 65 65 GLN H H 65 7.497 7.544 -0.047 1 1 630 . 12 1 1 A 65 65 GLN HA H 65 4.856 4.702 0.154 1 1 637 . 12 1 1 A 65 65 GLN C C 65 173.550 175.399 -1.849 1 1 638 . 12 1 1 A 65 65 GLN CA C 65 52.780 53.446 -0.666 1 1 639 . 12 1 1 A 65 65 GLN N N 65 117.420 115.939 1.481 1 1 641 . 12 1 1 A 66 66 PRO HA H 66 4.190 4.978 -0.788 1 1 648 . 12 1 1 A 66 66 PRO C C 66 177.400 176.542 0.858 1 1 649 . 12 1 1 A 66 66 PRO CA C 66 66.810 64.393 2.417 1 1 650 . 12 1 1 A 66 66 PRO CB C 66 32.370 32.097 0.273 1 1 651 . 12 1 1 A 67 67 THR H H 67 7.647 7.479 0.168 1 1 652 . 12 1 1 A 67 67 THR HA H 67 4.811 5.216 -0.405 1 1 657 . 12 1 1 A 67 67 THR C C 67 173.280 173.095 0.185 1 1 658 . 12 1 1 A 67 67 THR CA C 67 62.830 61.303 1.527 1 1 659 . 12 1 1 A 67 67 THR CB C 67 71.740 71.894 -0.154 1 1 660 . 12 1 1 A 67 67 THR N N 67 109.270 112.194 -2.924 1 1 661 . 12 1 1 A 68 68 THR H H 68 8.919 9.456 -0.537 1 1 662 . 12 1 1 A 68 68 THR HA H 68 4.968 5.061 -0.093 1 1 667 . 12 1 1 A 68 68 THR C C 68 175.090 173.404 1.686 1 1 668 . 12 1 1 A 68 68 THR CA C 68 61.820 61.801 0.019 1 1 669 . 12 1 1 A 68 68 THR CB C 68 70.730 70.808 -0.078 1 1 670 . 12 1 1 A 68 68 THR N N 68 125.610 122.903 2.707 1 1 671 . 12 1 1 A 69 69 THR H H 69 10.398 8.759 1.639 1 1 672 . 12 1 1 A 69 69 THR HA H 69 4.491 4.611 -0.120 1 1 677 . 12 1 1 A 69 69 THR C C 69 173.140 174.264 -1.124 1 1 678 . 12 1 1 A 69 69 THR CA C 69 61.790 62.069 -0.279 1 1 679 . 12 1 1 A 69 69 THR CB C 69 70.820 70.211 0.609 1 1 680 . 12 1 1 A 69 69 THR N N 69 121.520 122.581 -1.061 1 1 681 . 12 1 1 A 70 70 ALA H H 70 8.722 8.846 -0.124 1 1 682 . 12 1 1 A 70 70 ALA HA H 70 5.696 5.374 0.322 1 1 686 . 12 1 1 A 70 70 ALA C C 70 175.840 176.040 -0.200 1 1 687 . 12 1 1 A 70 70 ALA CA C 70 50.030 50.243 -0.213 1 1 688 . 12 1 1 A 70 70 ALA CB C 70 22.300 22.318 -0.018 1 1 689 . 12 1 1 A 70 70 ALA N N 70 122.410 127.722 -5.312 1 1 690 . 12 1 1 A 71 71 GLY H H 71 8.430 7.702 0.728 1 1 691 . 12 1 1 A 71 71 GLY HA2 H 71 4.474 4.089 0.385 1 1 692 . 12 1 1 A 71 71 GLY HA3 H 71 3.903 4.121 -0.218 1 1 693 . 12 1 1 A 71 71 GLY C C 71 170.540 170.980 -0.440 1 1 694 . 12 1 1 A 71 71 GLY CA C 71 46.300 45.681 0.619 1 1 695 . 12 1 1 A 71 71 GLY N N 71 108.960 107.948 1.012 1 1 696 . 12 1 1 A 72 72 ARG H H 72 8.341 8.902 -0.561 1 1 697 . 12 1 1 A 72 72 ARG HA H 72 4.481 4.452 0.029 1 1 702 . 12 1 1 A 72 72 ARG C C 72 175.720 174.389 1.331 1 1 703 . 12 1 1 A 72 72 ARG CA C 72 54.800 54.692 0.108 1 1 704 . 12 1 1 A 72 72 ARG CB C 72 32.540 32.433 0.107 1 1 705 . 12 1 1 A 72 72 ARG N N 72 120.930 121.229 -0.299 1 1 706 . 12 1 1 A 73 73 HIS H H 73 9.295 8.233 1.062 1 1 707 . 12 1 1 A 73 73 HIS HA H 73 4.403 4.937 -0.534 1 1 712 . 12 1 1 A 73 73 HIS C C 73 176.860 174.201 2.659 1 1 713 . 12 1 1 A 73 73 HIS CA C 73 57.050 55.229 1.821 1 1 714 . 12 1 1 A 73 73 HIS N N 73 125.290 123.620 1.670 1 1 715 . 12 1 1 A 74 74 PRO HA H 74 4.373 4.479 -0.106 1 1 722 . 12 1 1 A 74 74 PRO C C 74 177.590 177.653 -0.063 1 1 723 . 12 1 1 A 74 74 PRO CA C 74 64.930 64.721 0.209 1 1 724 . 12 1 1 A 74 74 PRO CB C 74 32.030 31.929 0.101 1 1 725 . 12 1 1 A 75 75 GLU H H 75 10.575 8.845 1.730 1 1 726 . 12 1 1 A 75 75 GLU HA H 75 4.352 4.184 0.168 1 1 731 . 12 1 1 A 75 75 GLU C C 75 177.320 177.108 0.212 1 1 732 . 12 1 1 A 75 75 GLU CA C 75 56.070 57.969 -1.899 1 1 733 . 12 1 1 A 75 75 GLU CB C 75 29.010 29.826 -0.816 1 1 734 . 12 1 1 A 75 75 GLU N N 75 119.840 118.511 1.329 1 1 735 . 12 1 1 A 76 76 SER H H 76 8.236 7.780 0.456 1 1 736 . 12 1 1 A 76 76 SER HA H 76 4.100 4.486 -0.386 1 1 739 . 12 1 1 A 76 76 SER C C 76 173.120 174.014 -0.894 1 1 740 . 12 1 1 A 76 76 SER CA C 76 60.160 58.663 1.497 1 1 741 . 12 1 1 A 76 76 SER CB C 76 65.530 64.542 0.988 1 1 742 . 12 1 1 A 76 76 SER N N 76 118.860 116.211 2.649 1 1 743 . 12 1 1 A 77 77 ASP H H 77 8.541 9.080 -0.539 1 1 744 . 12 1 1 A 77 77 ASP HA H 77 4.344 4.499 -0.155 1 1 747 . 12 1 1 A 77 77 ASP C C 77 177.590 176.090 1.500 1 1 748 . 12 1 1 A 77 77 ASP CA C 77 58.380 56.499 1.881 1 1 749 . 12 1 1 A 77 77 ASP CB C 77 42.110 41.363 0.747 1 1 750 . 12 1 1 A 77 77 ASP N N 77 126.720 123.282 3.438 1 1 751 . 12 1 1 A 78 78 ILE H H 78 8.571 7.378 1.193 1 1 752 . 12 1 1 A 78 78 ILE HA H 78 3.563 4.487 -0.924 1 1 762 . 12 1 1 A 78 78 ILE C C 78 172.930 174.365 -1.435 1 1 763 . 12 1 1 A 78 78 ILE CA C 78 60.880 59.790 1.090 1 1 764 . 12 1 1 A 78 78 ILE CB C 78 37.410 39.736 -2.326 1 1 765 . 12 1 1 A 78 78 ILE N N 78 120.210 114.872 5.338 1 1 766 . 12 1 1 A 79 79 PHE H H 79 8.018 9.090 -1.072 1 1 767 . 12 1 1 A 79 79 PHE HA H 79 5.018 4.846 0.172 1 1 775 . 12 1 1 A 79 79 PHE C C 79 174.130 173.770 0.360 1 1 776 . 12 1 1 A 79 79 PHE CA C 79 55.780 56.242 -0.462 1 1 777 . 12 1 1 A 79 79 PHE CB C 79 39.170 40.225 -1.055 1 1 778 . 12 1 1 A 79 79 PHE N N 79 127.300 126.831 0.469 1 1 779 . 12 1 1 A 80 80 LEU H H 80 7.695 9.134 -1.439 1 1 780 . 12 1 1 A 80 80 LEU HA H 80 3.619 4.857 -1.238 1 1 790 . 12 1 1 A 80 80 LEU C C 80 173.720 174.977 -1.257 1 1 791 . 12 1 1 A 80 80 LEU CA C 80 52.340 53.564 -1.224 1 1 792 . 12 1 1 A 80 80 LEU CB C 80 41.770 42.364 -0.594 1 1 793 . 12 1 1 A 80 80 LEU N N 80 131.810 128.741 3.069 1 1 794 . 12 1 1 A 81 81 ASP H H 81 7.974 9.107 -1.133 1 1 795 . 12 1 1 A 81 81 ASP HA H 81 4.141 4.907 -0.766 1 1 798 . 12 1 1 A 81 81 ASP C C 81 175.130 174.687 0.443 1 1 799 . 12 1 1 A 81 81 ASP CA C 81 53.210 54.457 -1.247 1 1 800 . 12 1 1 A 81 81 ASP CB C 81 39.930 41.783 -1.853 1 1 801 . 12 1 1 A 81 81 ASP N N 81 121.130 126.483 -5.353 1 1 802 . 12 1 1 A 82 82 ASP H H 82 7.583 8.518 -0.935 1 1 803 . 12 1 1 A 82 82 ASP HA H 82 4.859 5.183 -0.324 1 1 806 . 12 1 1 A 82 82 ASP C C 82 176.760 176.526 0.234 1 1 807 . 12 1 1 A 82 82 ASP CA C 82 54.980 52.658 2.322 1 1 808 . 12 1 1 A 82 82 ASP CB C 82 39.170 43.503 -4.333 1 1 809 . 12 1 1 A 82 82 ASP N N 82 121.540 126.487 -4.947 1 1 810 . 12 1 1 A 83 83 VAL H H 83 8.344 8.343 0.001 1 1 811 . 12 1 1 A 83 83 VAL HA H 83 4.012 3.944 0.068 1 1 819 . 12 1 1 A 83 83 VAL C C 83 174.860 176.155 -1.295 1 1 820 . 12 1 1 A 83 83 VAL CA C 83 65.330 65.401 -0.071 1 1 821 . 12 1 1 A 83 83 VAL CB C 83 31.530 32.013 -0.483 1 1 822 . 12 1 1 A 83 83 VAL N N 83 122.260 121.529 0.731 1 1 823 . 12 1 1 A 84 84 THR H H 84 8.268 7.920 0.348 1 1 824 . 12 1 1 A 84 84 THR HA H 84 4.540 4.903 -0.363 1 1 828 . 12 1 1 A 84 84 THR C C 84 175.360 173.727 1.633 1 1 829 . 12 1 1 A 84 84 THR CA C 84 63.810 60.391 3.419 1 1 830 . 12 1 1 A 84 84 THR CB C 84 70.900 71.659 -0.759 1 1 831 . 12 1 1 A 84 84 THR N N 84 110.620 111.725 -1.105 1 1 832 . 12 1 1 A 85 85 VAL H H 85 8.579 8.797 -0.218 1 1 833 . 12 1 1 A 85 85 VAL HA H 85 4.254 4.542 -0.288 1 1 841 . 12 1 1 A 85 85 VAL C C 85 177.070 175.121 1.949 1 1 842 . 12 1 1 A 85 85 VAL CA C 85 61.930 62.137 -0.207 1 1 843 . 12 1 1 A 85 85 VAL CB C 85 32.450 31.431 1.019 1 1 844 . 12 1 1 A 85 85 VAL N N 85 126.860 123.079 3.781 1 1 845 . 12 1 1 A 86 86 SER H H 86 11.668 9.062 2.606 1 1 846 . 12 1 1 A 86 86 SER HA H 86 5.203 5.099 0.104 1 1 849 . 12 1 1 A 86 86 SER C C 86 175.470 175.278 0.192 1 1 850 . 12 1 1 A 86 86 SER CA C 86 61.600 58.035 3.565 1 1 851 . 12 1 1 A 86 86 SER CB C 86 64.270 63.394 0.876 1 1 852 . 12 1 1 A 86 86 SER N N 86 128.670 125.355 3.315 1 1 853 . 12 1 1 A 87 87 ARG H H 87 10.946 8.561 2.385 1 1 854 . 12 1 1 A 87 87 ARG HA H 87 5.179 4.086 1.093 1 1 862 . 12 1 1 A 87 87 ARG C C 87 177.110 176.161 0.949 1 1 863 . 12 1 1 A 87 87 ARG CA C 87 60.810 58.803 2.007 1 1 864 . 12 1 1 A 87 87 ARG CB C 87 29.010 29.809 -0.799 1 1 865 . 12 1 1 A 87 87 ARG N N 87 126.810 125.211 1.599 1 1 867 . 12 1 1 A 88 88 ARG H H 88 7.946 7.793 0.153 1 1 868 . 12 1 1 A 88 88 ARG HA H 88 4.459 4.676 -0.217 1 1 876 . 12 1 1 A 88 88 ARG C C 88 172.990 175.687 -2.697 1 1 877 . 12 1 1 A 88 88 ARG CA C 88 55.060 54.625 0.435 1 1 878 . 12 1 1 A 88 88 ARG CB C 88 29.770 33.476 -3.706 1 1 879 . 12 1 1 A 88 88 ARG N N 88 115.670 118.559 -2.889 1 1 881 . 12 1 1 A 89 89 HIS H H 89 7.613 8.885 -1.272 1 1 882 . 12 1 1 A 89 89 HIS HA H 89 4.437 4.536 -0.099 1 1 888 . 12 1 1 A 89 89 HIS C C 89 174.050 174.967 -0.917 1 1 889 . 12 1 1 A 89 89 HIS CA C 89 58.420 57.755 0.665 1 1 890 . 12 1 1 A 89 89 HIS CB C 89 32.620 31.787 0.833 1 1 891 . 12 1 1 A 89 89 HIS N N 89 124.000 124.568 -0.568 1 1 893 . 12 1 1 A 90 90 ALA H H 90 8.454 7.231 1.223 1 1 894 . 12 1 1 A 90 90 ALA HA H 90 5.529 4.493 1.036 1 1 898 . 12 1 1 A 90 90 ALA C C 90 176.260 174.742 1.518 1 1 899 . 12 1 1 A 90 90 ALA CA C 90 50.240 51.444 -1.204 1 1 900 . 12 1 1 A 90 90 ALA CB C 90 23.220 22.740 0.480 1 1 901 . 12 1 1 A 90 90 ALA N N 90 116.480 118.155 -1.675 1 1 902 . 12 1 1 A 91 91 GLU H H 91 9.216 9.006 0.210 1 1 903 . 12 1 1 A 91 91 GLU HA H 91 4.931 4.655 0.276 1 1 908 . 12 1 1 A 91 91 GLU C C 91 173.910 174.118 -0.208 1 1 909 . 12 1 1 A 91 91 GLU CA C 91 54.690 54.188 0.502 1 1 910 . 12 1 1 A 91 91 GLU CB C 91 34.720 33.463 1.257 1 1 911 . 12 1 1 A 91 91 GLU N N 91 118.140 116.476 1.664 1 1 912 . 12 1 1 A 92 92 PHE H H 92 9.330 9.145 0.185 1 1 913 . 12 1 1 A 92 92 PHE HA H 92 5.502 5.308 0.194 1 1 921 . 12 1 1 A 92 92 PHE C C 92 176.650 175.370 1.280 1 1 922 . 12 1 1 A 92 92 PHE CA C 92 56.760 56.669 0.091 1 1 923 . 12 1 1 A 92 92 PHE CB C 92 41.690 41.120 0.570 1 1 924 . 12 1 1 A 92 92 PHE N N 92 119.490 120.616 -1.126 1 1 925 . 12 1 1 A 93 93 ARG H H 93 9.846 9.354 0.492 1 1 926 . 12 1 1 A 93 93 ARG HA H 93 5.610 5.277 0.333 1 1 934 . 12 1 1 A 93 93 ARG C C 93 175.010 174.977 0.033 1 1 935 . 12 1 1 A 93 93 ARG CA C 93 54.580 54.938 -0.358 1 1 936 . 12 1 1 A 93 93 ARG CB C 93 34.220 33.045 1.175 1 1 937 . 12 1 1 A 93 93 ARG N N 93 127.300 121.505 5.795 1 1 939 . 12 1 1 A 94 94 ILE H H 94 8.521 9.269 -0.748 1 1 940 . 12 1 1 A 94 94 ILE HA H 94 4.410 5.160 -0.750 1 1 950 . 12 1 1 A 94 94 ILE C C 94 176.420 174.646 1.774 1 1 951 . 12 1 1 A 94 94 ILE CA C 94 61.130 60.298 0.832 1 1 952 . 12 1 1 A 94 94 ILE CB C 94 38.830 39.340 -0.510 1 1 953 . 12 1 1 A 94 94 ILE N N 94 121.680 124.582 -2.902 1 1 954 . 12 1 1 A 95 95 ASN H H 95 8.847 8.998 -0.151 1 1 955 . 12 1 1 A 95 95 ASN HA H 95 4.796 5.012 -0.216 1 1 960 . 12 1 1 A 95 95 ASN C C 95 174.430 174.175 0.255 1 1 961 . 12 1 1 A 95 95 ASN CA C 95 52.560 52.800 -0.240 1 1 962 . 12 1 1 A 95 95 ASN CB C 95 40.510 40.825 -0.315 1 1 963 . 12 1 1 A 95 95 ASN N N 95 127.100 124.895 2.205 1 1 965 . 12 1 1 A 96 96 GLU H H 96 9.303 9.428 -0.125 1 1 966 . 12 1 1 A 96 96 GLU HA H 96 3.768 4.012 -0.244 1 1 971 . 12 1 1 A 96 96 GLU C C 96 176.280 176.406 -0.126 1 1 972 . 12 1 1 A 96 96 GLU CA C 96 57.150 57.536 -0.386 1 1 973 . 12 1 1 A 96 96 GLU CB C 96 27.590 27.976 -0.386 1 1 974 . 12 1 1 A 96 96 GLU N N 96 125.150 126.925 -1.775 1 1 975 . 12 1 1 A 97 97 GLY H H 97 7.937 8.426 -0.489 1 1 976 . 12 1 1 A 97 97 GLY HA2 H 97 4.042 3.623 0.419 1 1 977 . 12 1 1 A 97 97 GLY HA3 H 97 3.450 3.725 -0.275 1 1 978 . 12 1 1 A 97 97 GLY C C 97 172.990 173.363 -0.373 1 1 979 . 12 1 1 A 97 97 GLY CA C 97 45.390 45.129 0.261 1 1 980 . 12 1 1 A 97 97 GLY N N 97 104.330 104.472 -0.142 1 1 981 . 12 1 1 A 98 98 GLU H H 98 7.557 7.792 -0.235 1 1 982 . 12 1 1 A 98 98 GLU HA H 98 4.591 4.536 0.055 1 1 987 . 12 1 1 A 98 98 GLU C C 98 174.530 175.600 -1.070 1 1 988 . 12 1 1 A 98 98 GLU CA C 98 54.770 54.880 -0.110 1 1 989 . 12 1 1 A 98 98 GLU CB C 98 32.290 31.618 0.672 1 1 990 . 12 1 1 A 98 98 GLU N N 98 119.350 119.976 -0.626 1 1 991 . 12 1 1 A 99 99 PHE H H 99 9.412 8.990 0.422 1 1 992 . 12 1 1 A 99 99 PHE HA H 99 5.007 5.259 -0.252 1 1 999 . 12 1 1 A 99 99 PHE C C 99 174.050 175.456 -1.406 1 1 1000 . 12 1 1 A 99 99 PHE CA C 99 57.260 56.842 0.418 1 1 1001 . 12 1 1 A 99 99 PHE CB C 99 42.110 41.090 1.020 1 1 1002 . 12 1 1 A 99 99 PHE N N 99 122.550 121.973 0.577 1 1 1003 . 12 1 1 A 100 100 GLU H H 100 9.444 9.740 -0.296 1 1 1004 . 12 1 1 A 100 100 GLU HA H 100 5.145 5.073 0.072 1 1 1009 . 12 1 1 A 100 100 GLU C C 100 175.340 174.646 0.694 1 1 1010 . 12 1 1 A 100 100 GLU CA C 100 54.080 54.676 -0.596 1 1 1011 . 12 1 1 A 100 100 GLU CB C 100 34.720 33.580 1.140 1 1 1012 . 12 1 1 A 100 100 GLU N N 100 124.080 120.598 3.482 1 1 1013 . 12 1 1 A 101 101 VAL H H 101 8.726 9.170 -0.444 1 1 1014 . 12 1 1 A 101 101 VAL HA H 101 4.900 4.664 0.236 1 1 1022 . 12 1 1 A 101 101 VAL C C 101 172.510 175.169 -2.659 1 1 1023 . 12 1 1 A 101 101 VAL CA C 101 58.710 61.586 -2.876 1 1 1024 . 12 1 1 A 101 101 VAL CB C 101 33.550 33.122 0.428 1 1 1025 . 12 1 1 A 101 101 VAL N N 101 124.500 123.489 1.011 1 1 1026 . 12 1 1 A 102 102 VAL H H 102 8.719 9.432 -0.713 1 1 1027 . 12 1 1 A 102 102 VAL HA H 102 4.578 4.604 -0.026 1 1 1035 . 12 1 1 A 102 102 VAL C C 102 175.380 174.522 0.858 1 1 1036 . 12 1 1 A 102 102 VAL CA C 102 60.370 60.717 -0.347 1 1 1037 . 12 1 1 A 102 102 VAL CB C 102 36.060 34.420 1.640 1 1 1038 . 12 1 1 A 102 102 VAL N N 102 125.900 127.842 -1.942 1 1 1039 . 12 1 1 A 103 103 ASP H H 103 8.626 9.209 -0.583 1 1 1040 . 12 1 1 A 103 103 ASP HA H 103 4.856 4.715 0.141 1 1 1043 . 12 1 1 A 103 103 ASP C C 103 177.300 176.707 0.593 1 1 1044 . 12 1 1 A 103 103 ASP CA C 103 54.580 54.415 0.165 1 1 1045 . 12 1 1 A 103 103 ASP CB C 103 44.210 41.895 2.315 1 1 1046 . 12 1 1 A 103 103 ASP N N 103 127.250 127.626 -0.376 1 1 1047 . 12 1 1 A 104 104 VAL H H 104 7.890 8.768 -0.878 1 1 1048 . 12 1 1 A 104 104 VAL HA H 104 4.527 4.534 -0.007 1 1 1056 . 12 1 1 A 104 104 VAL C C 104 174.490 175.671 -1.181 1 1 1057 . 12 1 1 A 104 104 VAL CA C 104 60.630 60.914 -0.284 1 1 1058 . 12 1 1 A 104 104 VAL CB C 104 29.350 33.401 -4.051 1 1 1059 . 12 1 1 A 104 104 VAL N N 104 119.270 120.183 -0.913 1 1 1060 . 12 1 1 A 105 105 GLY H H 105 8.690 7.877 0.813 1 1 1061 . 12 1 1 A 105 105 GLY HA2 H 105 4.270 3.974 0.296 1 1 1062 . 12 1 1 A 105 105 GLY HA3 H 105 3.685 4.018 -0.333 1 1 1063 . 12 1 1 A 105 105 GLY C C 105 175.490 174.283 1.207 1 1 1064 . 12 1 1 A 105 105 GLY CA C 105 45.650 45.582 0.068 1 1 1065 . 12 1 1 A 105 105 GLY N N 105 111.790 109.932 1.858 1 1 1066 . 12 1 1 A 106 106 SER H H 106 9.218 8.106 1.112 1 1 1067 . 12 1 1 A 106 106 SER HA H 106 3.894 4.443 -0.549 1 1 1070 . 12 1 1 A 106 106 SER C C 106 174.590 173.924 0.666 1 1 1071 . 12 1 1 A 106 106 SER CA C 106 58.600 59.532 -0.932 1 1 1072 . 12 1 1 A 106 106 SER CB C 106 61.250 62.097 -0.847 1 1 1073 . 12 1 1 A 106 106 SER N N 106 121.540 114.634 6.906 1 1 1074 . 12 1 1 A 107 107 LEU H H 107 8.018 7.796 0.222 1 1 1075 . 12 1 1 A 107 107 LEU HA H 107 4.240 4.250 -0.010 1 1 1085 . 12 1 1 A 107 107 LEU C C 107 179.420 178.178 1.242 1 1 1086 . 12 1 1 A 107 107 LEU CA C 107 57.590 55.090 2.500 1 1 1087 . 12 1 1 A 107 107 LEU CB C 107 42.360 42.426 -0.066 1 1 1088 . 12 1 1 A 107 107 LEU N N 107 121.520 121.129 0.391 1 1 1089 . 12 1 1 A 108 108 ASN H H 108 8.799 7.280 1.519 1 1 1090 . 12 1 1 A 108 108 ASN HA H 108 4.986 5.024 -0.038 1 1 1093 . 12 1 1 A 108 108 ASN C C 108 175.950 175.726 0.224 1 1 1094 . 12 1 1 A 108 108 ASN CA C 108 54.440 53.269 1.171 1 1 1095 . 12 1 1 A 108 108 ASN CB C 108 41.180 39.281 1.899 1 1 1096 . 12 1 1 A 108 108 ASN N N 108 111.800 115.226 -3.426 1 1 1097 . 12 1 1 A 109 109 GLY H H 109 8.025 7.819 0.206 1 1 1098 . 12 1 1 A 109 109 GLY HA2 H 109 4.237 3.857 0.380 1 1 1099 . 12 1 1 A 109 109 GLY HA3 H 109 3.621 4.097 -0.476 1 1 1100 . 12 1 1 A 109 109 GLY C C 109 173.820 174.501 -0.681 1 1 1101 . 12 1 1 A 109 109 GLY CA C 109 44.340 45.920 -1.580 1 1 1102 . 12 1 1 A 109 109 GLY N N 109 110.600 105.876 4.724 1 1 1103 . 12 1 1 A 110 110 THR H H 110 8.770 8.012 0.758 1 1 1104 . 12 1 1 A 110 110 THR HA H 110 4.797 4.349 0.448 1 1 1109 . 12 1 1 A 110 110 THR C C 110 172.570 173.664 -1.094 1 1 1110 . 12 1 1 A 110 110 THR CA C 110 64.540 63.217 1.323 1 1 1111 . 12 1 1 A 110 110 THR CB C 110 70.230 69.334 0.896 1 1 1112 . 12 1 1 A 110 110 THR N N 110 121.240 114.671 6.569 1 1 1113 . 12 1 1 A 111 111 TYR H H 111 8.272 9.157 -0.885 1 1 1114 . 12 1 1 A 111 111 TYR HA H 111 5.155 5.401 -0.246 1 1 1121 . 12 1 1 A 111 111 TYR C C 111 175.860 175.303 0.557 1 1 1122 . 12 1 1 A 111 111 TYR CA C 111 55.820 56.562 -0.742 1 1 1123 . 12 1 1 A 111 111 TYR CB C 111 41.100 42.836 -1.736 1 1 1124 . 12 1 1 A 111 111 TYR N N 111 123.680 124.958 -1.278 1 1 1125 . 12 1 1 A 112 112 VAL H H 112 9.017 9.290 -0.273 1 1 1126 . 12 1 1 A 112 112 VAL HA H 112 4.951 4.619 0.332 1 1 1134 . 12 1 1 A 112 112 VAL C C 112 176.780 176.328 0.452 1 1 1135 . 12 1 1 A 112 112 VAL CA C 112 61.130 61.145 -0.015 1 1 1136 . 12 1 1 A 112 112 VAL CB C 112 32.870 34.538 -1.668 1 1 1137 . 12 1 1 A 112 112 VAL N N 112 121.300 122.902 -1.602 1 1 1138 . 12 1 1 A 113 113 ASN H H 113 10.285 9.693 0.592 1 1 1139 . 12 1 1 A 113 113 ASN HA H 113 4.483 4.372 0.111 1 1 1144 . 12 1 1 A 113 113 ASN C C 113 174.590 174.310 0.280 1 1 1145 . 12 1 1 A 113 113 ASN CA C 113 55.160 54.467 0.693 1 1 1146 . 12 1 1 A 113 113 ASN CB C 113 37.240 37.137 0.103 1 1 1147 . 12 1 1 A 113 113 ASN N N 113 129.510 127.468 2.042 1 1 1149 . 12 1 1 A 114 114 ARG H H 114 9.459 8.150 1.309 1 1 1150 . 12 1 1 A 114 114 ARG HA H 114 3.659 3.882 -0.223 1 1 1158 . 12 1 1 A 114 114 ARG C C 114 174.900 174.481 0.419 1 1 1159 . 12 1 1 A 114 114 ARG CA C 114 58.280 57.656 0.624 1 1 1160 . 12 1 1 A 114 114 ARG CB C 114 27.250 27.787 -0.537 1 1 1161 . 12 1 1 A 114 114 ARG N N 114 106.570 110.808 -4.238 1 1 1163 . 12 1 1 A 115 115 GLU H H 115 7.827 7.974 -0.147 1 1 1164 . 12 1 1 A 115 115 GLU HA H 115 5.153 4.836 0.317 1 1 1169 . 12 1 1 A 115 115 GLU C C 115 173.950 174.211 -0.261 1 1 1170 . 12 1 1 A 115 115 GLU CA C 115 52.990 53.105 -0.115 1 1 1171 . 12 1 1 A 115 115 GLU N N 115 119.780 118.485 1.295 1 1 1172 . 12 1 1 A 116 116 PRO HA H 116 3.983 4.659 -0.676 1 1 1177 . 12 1 1 A 116 116 PRO C C 116 177.780 175.312 2.468 1 1 1178 . 12 1 1 A 116 116 PRO CA C 116 62.910 63.406 -0.496 1 1 1179 . 12 1 1 A 116 116 PRO CB C 116 31.200 32.022 -0.822 1 1 1180 . 12 1 1 A 117 117 ARG H H 117 8.414 8.492 -0.078 1 1 1181 . 12 1 1 A 117 117 ARG HA H 117 4.699 4.701 -0.002 1 1 1189 . 12 1 1 A 117 117 ARG C C 117 175.260 175.510 -0.250 1 1 1190 . 12 1 1 A 117 117 ARG CA C 117 52.990 55.296 -2.306 1 1 1191 . 12 1 1 A 117 117 ARG CB C 117 24.560 32.977 -8.417 1 1 1192 . 12 1 1 A 117 117 ARG N N 117 121.900 124.113 -2.213 1 1 1194 . 12 1 1 A 118 118 ASN H H 118 8.741 8.589 0.152 1 1 1195 . 12 1 1 A 118 118 ASN HA H 118 4.731 4.766 -0.035 1 1 1200 . 12 1 1 A 118 118 ASN C C 118 175.220 174.631 0.589 1 1 1201 . 12 1 1 A 118 118 ASN CA C 118 55.090 54.768 0.322 1 1 1202 . 12 1 1 A 118 118 ASN CB C 118 38.920 39.316 -0.396 1 1 1203 . 12 1 1 A 118 118 ASN N N 118 120.190 121.409 -1.219 1 1 1205 . 12 1 1 A 119 119 ALA H H 119 7.372 7.972 -0.600 1 1 1206 . 12 1 1 A 119 119 ALA HA H 119 5.319 5.392 -0.073 1 1 1210 . 12 1 1 A 119 119 ALA C C 119 176.720 175.475 1.245 1 1 1211 . 12 1 1 A 119 119 ALA CA C 119 52.120 50.361 1.759 1 1 1212 . 12 1 1 A 119 119 ALA CB C 119 21.460 22.440 -0.980 1 1 1213 . 12 1 1 A 119 119 ALA N N 119 120.380 118.931 1.449 1 1 1214 . 12 1 1 A 120 120 GLN H H 120 8.787 8.811 -0.024 1 1 1215 . 12 1 1 A 120 120 GLN HA H 120 4.505 4.630 -0.125 1 1 1222 . 12 1 1 A 120 120 GLN C C 120 174.380 174.213 0.167 1 1 1223 . 12 1 1 A 120 120 GLN CA C 120 56.030 55.081 0.949 1 1 1224 . 12 1 1 A 120 120 GLN CB C 120 32.790 32.845 -0.055 1 1 1225 . 12 1 1 A 120 120 GLN N N 120 121.180 121.694 -0.514 1 1 1227 . 12 1 1 A 121 121 VAL H H 121 8.692 8.669 0.023 1 1 1228 . 12 1 1 A 121 121 VAL HA H 121 4.258 4.198 0.060 1 1 1236 . 12 1 1 A 121 121 VAL C C 121 176.510 175.641 0.869 1 1 1237 . 12 1 1 A 121 121 VAL CA C 121 64.140 63.106 1.034 1 1 1238 . 12 1 1 A 121 121 VAL CB C 121 31.700 31.829 -0.129 1 1 1239 . 12 1 1 A 121 121 VAL N N 121 129.930 126.722 3.208 1 1 1240 . 12 1 1 A 122 122 MET H H 122 8.924 9.071 -0.147 1 1 1241 . 12 1 1 A 122 122 MET HA H 122 4.419 5.218 -0.799 1 1 1249 . 12 1 1 A 122 122 MET C C 122 174.380 174.651 -0.271 1 1 1250 . 12 1 1 A 122 122 MET CA C 122 55.740 53.554 2.186 1 1 1251 . 12 1 1 A 122 122 MET CB C 122 35.140 33.606 1.534 1 1 1252 . 12 1 1 A 122 122 MET N N 122 129.560 126.103 3.457 1 1 1253 . 12 1 1 A 123 123 GLN H H 123 9.002 8.899 0.103 1 1 1254 . 12 1 1 A 123 123 GLN HA H 123 4.823 5.081 -0.258 1 1 1261 . 12 1 1 A 123 123 GLN C C 123 175.530 175.604 -0.074 1 1 1262 . 12 1 1 A 123 123 GLN CA C 123 53.570 54.461 -0.891 1 1 1263 . 12 1 1 A 123 123 GLN CB C 123 32.290 31.623 0.667 1 1 1264 . 12 1 1 A 123 123 GLN N N 123 119.810 123.192 -3.382 1 1 1266 . 12 1 1 A 124 124 THR H H 124 9.036 8.668 0.368 1 1 1267 . 12 1 1 A 124 124 THR HA H 124 4.208 3.847 0.361 1 1 1272 . 12 1 1 A 124 124 THR C C 124 175.300 175.812 -0.512 1 1 1273 . 12 1 1 A 124 124 THR CA C 124 65.510 65.197 0.313 1 1 1274 . 12 1 1 A 124 124 THR CB C 124 69.560 68.170 1.390 1 1 1275 . 12 1 1 A 124 124 THR N N 124 119.570 119.158 0.412 1 1 1276 . 12 1 1 A 125 125 GLY H H 125 9.921 9.443 0.478 1 1 1277 . 12 1 1 A 125 125 GLY HA2 H 125 4.552 4.005 0.547 1 1 1278 . 12 1 1 A 125 125 GLY HA3 H 125 3.480 4.015 -0.535 1 1 1279 . 12 1 1 A 125 125 GLY C C 125 174.650 174.192 0.458 1 1 1280 . 12 1 1 A 125 125 GLY CA C 125 44.710 44.977 -0.267 1 1 1281 . 12 1 1 A 125 125 GLY N N 125 117.920 114.965 2.955 1 1 1282 . 12 1 1 A 126 126 ASP H H 126 8.638 8.180 0.458 1 1 1283 . 12 1 1 A 126 126 ASP HA H 126 4.876 4.711 0.165 1 1 1286 . 12 1 1 A 126 126 ASP C C 126 174.650 175.708 -1.058 1 1 1287 . 12 1 1 A 126 126 ASP CA C 126 56.140 53.745 2.395 1 1 1288 . 12 1 1 A 126 126 ASP CB C 126 41.690 42.347 -0.657 1 1 1289 . 12 1 1 A 126 126 ASP N N 126 123.190 122.360 0.830 1 1 1290 . 12 1 1 A 127 127 GLU H H 127 8.316 9.067 -0.751 1 1 1291 . 12 1 1 A 127 127 GLU HA H 127 5.341 5.204 0.137 1 1 1296 . 12 1 1 A 127 127 GLU C C 127 175.990 174.983 1.007 1 1 1297 . 12 1 1 A 127 127 GLU CA C 127 54.440 54.792 -0.352 1 1 1298 . 12 1 1 A 127 127 GLU CB C 127 32.790 32.441 0.349 1 1 1299 . 12 1 1 A 127 127 GLU N N 127 118.480 122.959 -4.479 1 1 1300 . 12 1 1 A 128 128 ILE H H 128 9.910 9.452 0.458 1 1 1301 . 12 1 1 A 128 128 ILE HA H 128 5.334 4.961 0.373 1 1 1311 . 12 1 1 A 128 128 ILE C C 128 174.700 174.417 0.283 1 1 1312 . 12 1 1 A 128 128 ILE CA C 128 59.470 60.148 -0.678 1 1 1313 . 12 1 1 A 128 128 ILE CB C 128 40.600 40.255 0.345 1 1 1314 . 12 1 1 A 128 128 ILE N N 128 128.810 126.188 2.622 1 1 1315 . 12 1 1 A 129 129 GLN H H 129 9.502 9.649 -0.147 1 1 1316 . 12 1 1 A 129 129 GLN HA H 129 5.406 5.431 -0.025 1 1 1323 . 12 1 1 A 129 129 GLN C C 129 174.950 174.541 0.409 1 1 1324 . 12 1 1 A 129 129 GLN CA C 129 54.800 54.399 0.401 1 1 1325 . 12 1 1 A 129 129 GLN CB C 129 30.690 31.152 -0.462 1 1 1326 . 12 1 1 A 129 129 GLN N N 129 129.270 128.063 1.207 1 1 1328 . 12 1 1 A 130 130 ILE H H 130 8.498 8.975 -0.477 1 1 1329 . 12 1 1 A 130 130 ILE HA H 130 4.116 4.472 -0.356 1 1 1339 . 12 1 1 A 130 130 ILE C C 130 174.860 176.347 -1.487 1 1 1340 . 12 1 1 A 130 130 ILE CA C 130 60.740 60.138 0.602 1 1 1341 . 12 1 1 A 130 130 ILE CB C 130 41.440 38.310 3.130 1 1 1342 . 12 1 1 A 130 130 ILE N N 130 129.070 128.147 0.923 1 1 1343 . 12 1 1 A 131 131 GLY H H 131 9.924 9.458 0.466 1 1 1344 . 12 1 1 A 131 131 GLY HA2 H 131 3.768 4.026 -0.258 1 1 1345 . 12 1 1 A 131 131 GLY HA3 H 131 3.337 4.036 -0.699 1 1 1346 . 12 1 1 A 131 131 GLY C C 131 174.590 174.574 0.016 1 1 1347 . 12 1 1 A 131 131 GLY CA C 131 46.700 47.536 -0.836 1 1 1348 . 12 1 1 A 131 131 GLY N N 131 116.470 118.197 -1.727 1 1 1349 . 12 1 1 A 132 132 LYS H H 132 7.141 8.460 -1.319 1 1 1350 . 12 1 1 A 132 132 LYS HA H 132 3.750 4.451 -0.701 1 1 1357 . 12 1 1 A 132 132 LYS C C 132 175.820 175.806 0.014 1 1 1358 . 12 1 1 A 132 132 LYS CA C 132 57.550 55.446 2.104 1 1 1359 . 12 1 1 A 132 132 LYS CB C 132 33.300 34.079 -0.779 1 1 1360 . 12 1 1 A 132 132 LYS N N 132 122.960 125.364 -2.404 1 1 1361 . 12 1 1 A 133 133 PHE H H 133 8.360 8.345 0.015 1 1 1362 . 12 1 1 A 133 133 PHE HA H 133 4.601 4.930 -0.329 1 1 1370 . 12 1 1 A 133 133 PHE C C 133 174.910 175.079 -0.169 1 1 1371 . 12 1 1 A 133 133 PHE CA C 133 58.600 57.919 0.681 1 1 1372 . 12 1 1 A 133 133 PHE CB C 133 40.510 40.566 -0.056 1 1 1373 . 12 1 1 A 133 133 PHE N N 133 118.170 119.603 -1.433 1 1 1374 . 12 1 1 A 134 134 ARG H H 134 8.698 8.703 -0.005 1 1 1375 . 12 1 1 A 134 134 ARG HA H 134 5.212 5.340 -0.128 1 1 1383 . 12 1 1 A 134 134 ARG C C 134 175.150 174.559 0.591 1 1 1384 . 12 1 1 A 134 134 ARG CA C 134 55.060 54.585 0.475 1 1 1385 . 12 1 1 A 134 134 ARG CB C 134 33.550 33.121 0.429 1 1 1386 . 12 1 1 A 134 134 ARG N N 134 120.770 122.079 -1.309 1 1 1388 . 12 1 1 A 135 135 LEU H H 135 9.904 9.568 0.336 1 1 1389 . 12 1 1 A 135 135 LEU HA H 135 5.544 5.428 0.116 1 1 1399 . 12 1 1 A 135 135 LEU C C 135 175.260 175.875 -0.615 1 1 1400 . 12 1 1 A 135 135 LEU CA C 135 53.930 53.594 0.336 1 1 1401 . 12 1 1 A 135 135 LEU CB C 135 45.550 44.802 0.748 1 1 1402 . 12 1 1 A 135 135 LEU N N 135 127.130 128.011 -0.881 1 1 1403 . 12 1 1 A 136 136 VAL H H 136 9.350 9.307 0.043 1 1 1404 . 12 1 1 A 136 136 VAL HA H 136 5.226 4.915 0.311 1 1 1412 . 12 1 1 A 136 136 VAL C C 136 174.050 173.949 0.101 1 1 1413 . 12 1 1 A 136 136 VAL CA C 136 60.520 60.769 -0.249 1 1 1414 . 12 1 1 A 136 136 VAL CB C 136 34.890 34.050 0.840 1 1 1415 . 12 1 1 A 136 136 VAL N N 136 121.300 122.532 -1.232 1 1 1416 . 12 1 1 A 137 137 PHE H H 137 8.492 9.251 -0.759 1 1 1417 . 12 1 1 A 137 137 PHE HA H 137 5.007 4.995 0.012 1 1 1424 . 12 1 1 A 137 137 PHE C C 137 173.340 174.016 -0.676 1 1 1425 . 12 1 1 A 137 137 PHE CA C 137 57.010 56.300 0.710 1 1 1426 . 12 1 1 A 137 137 PHE CB C 137 41.770 41.125 0.645 1 1 1427 . 12 1 1 A 137 137 PHE N N 137 127.550 128.596 -1.046 1 1 1428 . 12 1 1 A 138 138 LEU H H 138 8.535 8.712 -0.177 1 1 1429 . 12 1 1 A 138 138 LEU HA H 138 4.345 4.744 -0.399 1 1 1439 . 12 1 1 A 138 138 LEU C C 138 173.390 175.230 -1.840 1 1 1440 . 12 1 1 A 138 138 LEU CA C 138 53.680 53.163 0.517 1 1 1441 . 12 1 1 A 138 138 LEU CB C 138 45.210 45.407 -0.197 1 1 1442 . 12 1 1 A 138 138 LEU N N 138 128.590 127.952 0.638 1 1 1443 . 12 1 1 A 139 139 ALA H H 139 7.502 8.363 -0.861 1 1 1444 . 12 1 1 A 139 139 ALA HA H 139 3.952 3.973 -0.021 1 1 1448 . 12 1 1 A 139 139 ALA C C 139 178.010 177.528 0.482 1 1 1449 . 12 1 1 A 139 139 ALA CA C 139 51.650 51.543 0.107 1 1 1450 . 12 1 1 A 139 139 ALA CB C 139 20.700 19.087 1.613 1 1 1451 . 12 1 1 A 139 139 ALA N N 139 123.250 125.000 -1.750 1 1 1452 . 12 1 1 A 140 140 GLY H H 140 7.968 8.194 -0.226 1 1 1453 . 12 1 1 A 140 140 GLY HA2 H 140 4.202 3.901 0.301 1 1 1454 . 12 1 1 A 140 140 GLY HA3 H 140 3.595 3.945 -0.350 1 1 1455 . 12 1 1 A 140 140 GLY C C 140 171.240 173.231 -1.991 1 1 1456 . 12 1 1 A 140 140 GLY CA C 140 44.710 44.738 -0.028 1 1 1457 . 12 1 1 A 140 140 GLY N N 140 108.040 106.977 1.063 1 1 1458 . 12 1 1 A 141 141 PRO HA H 141 4.460 4.556 -0.096 1 1 1463 . 12 1 1 A 141 141 PRO C C 141 176.150 176.139 0.011 1 1 1464 . 12 1 1 A 141 141 PRO CA C 141 63.230 62.633 0.597 1 1 1465 . 12 1 1 A 141 141 PRO CB C 141 32.370 32.507 -0.137 1 1 1466 . 12 1 1 A 142 142 ALA H H 142 8.496 8.460 0.036 1 1 1467 . 12 1 1 A 142 142 ALA HA H 142 4.363 4.464 -0.101 1 1 1471 . 12 1 1 A 142 142 ALA C C 142 177.320 176.199 1.121 1 1 1472 . 12 1 1 A 142 142 ALA CA C 142 52.740 51.032 1.708 1 1 1473 . 12 1 1 A 142 142 ALA CB C 142 19.780 17.840 1.940 1 1 1474 . 12 1 1 A 142 142 ALA N N 142 124.080 125.128 -1.048 1 1 4 . 13 1 1 A 2 2 SER H H 2 8.404 8.693 -0.289 1 1 5 . 13 1 1 A 2 2 SER HA H 2 4.430 4.660 -0.230 1 1 8 . 13 1 1 A 2 2 SER C C 2 174.220 173.021 1.199 1 1 9 . 13 1 1 A 2 2 SER CA C 2 58.650 57.703 0.947 1 1 10 . 13 1 1 A 2 2 SER CB C 2 64.280 62.270 2.010 1 1 11 . 13 1 1 A 2 2 SER N N 2 116.880 115.435 1.445 1 1 12 . 13 1 1 A 3 3 ASP H H 3 8.314 8.748 -0.434 1 1 13 . 13 1 1 A 3 3 ASP HA H 3 4.594 4.886 -0.292 1 1 16 . 13 1 1 A 3 3 ASP C C 3 176.070 174.844 1.226 1 1 17 . 13 1 1 A 3 3 ASP CA C 3 54.580 52.914 1.666 1 1 18 . 13 1 1 A 3 3 ASP CB C 3 41.530 41.252 0.278 1 1 19 . 13 1 1 A 3 3 ASP N N 3 122.210 127.730 -5.520 1 1 20 . 13 1 1 A 4 4 ASN H H 4 8.326 8.573 -0.247 1 1 21 . 13 1 1 A 4 4 ASN HA H 4 4.748 4.776 -0.028 1 1 24 . 13 1 1 A 4 4 ASN C C 4 175.130 175.039 0.091 1 1 25 . 13 1 1 A 4 4 ASN CA C 4 53.430 53.157 0.273 1 1 26 . 13 1 1 A 4 4 ASN CB C 4 38.920 38.107 0.813 1 1 27 . 13 1 1 A 4 4 ASN N N 4 118.670 125.068 -6.398 1 1 28 . 13 1 1 A 5 5 ASN H H 5 8.467 8.634 -0.167 1 1 29 . 13 1 1 A 5 5 ASN HA H 5 4.702 4.792 -0.090 1 1 32 . 13 1 1 A 5 5 ASN C C 5 175.700 175.768 -0.068 1 1 33 . 13 1 1 A 5 5 ASN CA C 5 53.610 53.653 -0.043 1 1 34 . 13 1 1 A 5 5 ASN CB C 5 39.090 39.606 -0.516 1 1 35 . 13 1 1 A 5 5 ASN N N 5 119.070 123.805 -4.735 1 1 36 . 13 1 1 A 6 6 GLY H H 6 8.333 8.388 -0.055 1 1 37 . 13 1 1 A 6 6 GLY HA2 H 6 3.960 4.136 -0.176 1 1 38 . 13 1 1 A 6 6 GLY HA3 H 6 3.960 4.138 -0.178 1 1 39 . 13 1 1 A 6 6 GLY C C 6 174.050 172.891 1.159 1 1 40 . 13 1 1 A 6 6 GLY CA C 6 45.390 44.593 0.797 1 1 41 . 13 1 1 A 6 6 GLY N N 6 109.000 108.175 0.825 1 1 42 . 13 1 1 A 7 7 THR H H 7 8.076 8.277 -0.201 1 1 43 . 13 1 1 A 7 7 THR HA H 7 4.591 5.101 -0.510 1 1 48 . 13 1 1 A 7 7 THR C C 7 172.840 173.136 -0.296 1 1 49 . 13 1 1 A 7 7 THR CA C 7 60.050 59.192 0.858 1 1 50 . 13 1 1 A 7 7 THR N N 7 116.910 111.468 5.442 1 1 51 . 13 1 1 A 8 8 PRO HA H 8 4.414 4.504 -0.090 1 1 54 . 13 1 1 A 8 8 PRO C C 8 176.690 176.314 0.376 1 1 55 . 13 1 1 A 8 8 PRO CA C 8 63.090 62.422 0.668 1 1 56 . 13 1 1 A 8 8 PRO CB C 8 32.290 32.089 0.201 1 1 57 . 13 1 1 A 9 9 GLU H H 9 8.467 8.503 -0.036 1 1 58 . 13 1 1 A 9 9 GLU HA H 9 4.527 4.716 -0.189 1 1 63 . 13 1 1 A 9 9 GLU C C 9 174.680 174.761 -0.081 1 1 64 . 13 1 1 A 9 9 GLU CA C 9 54.550 53.828 0.722 1 1 65 . 13 1 1 A 9 9 GLU N N 9 122.910 121.411 1.499 1 1 66 . 13 1 1 A 10 10 PRO HA H 10 4.371 4.291 0.080 1 1 71 . 13 1 1 A 10 10 PRO C C 10 176.820 176.174 0.646 1 1 72 . 13 1 1 A 10 10 PRO CA C 10 63.300 62.405 0.895 1 1 73 . 13 1 1 A 10 10 PRO CB C 10 32.290 32.539 -0.249 1 1 74 . 13 1 1 A 11 11 GLN H H 11 8.543 8.953 -0.410 1 1 75 . 13 1 1 A 11 11 GLN HA H 11 4.334 4.896 -0.562 1 1 82 . 13 1 1 A 11 11 GLN C C 11 176.010 175.367 0.643 1 1 83 . 13 1 1 A 11 11 GLN CA C 11 55.710 55.225 0.485 1 1 84 . 13 1 1 A 11 11 GLN CB C 11 29.520 30.984 -1.464 1 1 85 . 13 1 1 A 11 11 GLN N N 11 121.100 120.157 0.943 1 1 87 . 13 1 1 A 12 12 VAL H H 12 8.201 8.288 -0.087 1 1 88 . 13 1 1 A 12 12 VAL HA H 12 4.144 4.709 -0.565 1 1 96 . 13 1 1 A 12 12 VAL C C 12 175.940 174.762 1.178 1 1 97 . 13 1 1 A 12 12 VAL CA C 12 62.110 61.554 0.556 1 1 98 . 13 1 1 A 12 12 VAL CB C 12 32.800 32.796 0.004 1 1 99 . 13 1 1 A 12 12 VAL N N 12 122.070 121.037 1.033 1 1 100 . 13 1 1 A 13 13 GLU H H 13 8.593 8.852 -0.259 1 1 101 . 13 1 1 A 13 13 GLU HA H 13 4.329 4.856 -0.527 1 1 106 . 13 1 1 A 13 13 GLU C C 13 176.720 174.688 2.032 1 1 107 . 13 1 1 A 13 13 GLU CA C 13 56.830 54.914 1.916 1 1 108 . 13 1 1 A 13 13 GLU CB C 13 30.860 33.381 -2.521 1 1 109 . 13 1 1 A 13 13 GLU N N 13 124.660 127.034 -2.374 1 1 138 . 13 1 1 A 17 17 VAL H H 17 8.458 8.617 -0.159 1 1 139 . 13 1 1 A 17 17 VAL HA H 17 4.183 4.642 -0.459 1 1 147 . 13 1 1 A 17 17 VAL C C 17 175.950 175.682 0.268 1 1 148 . 13 1 1 A 17 17 VAL CA C 17 63.780 62.804 0.976 1 1 149 . 13 1 1 A 17 17 VAL CB C 17 32.460 31.167 1.293 1 1 150 . 13 1 1 A 17 17 VAL N N 17 124.860 124.574 0.286 1 1 151 . 13 1 1 A 18 18 PHE H H 18 8.579 8.572 0.007 1 1 152 . 13 1 1 A 18 18 PHE HA H 18 4.650 5.749 -1.099 1 1 160 . 13 1 1 A 18 18 PHE C C 18 173.450 174.038 -0.588 1 1 161 . 13 1 1 A 18 18 PHE CA C 18 57.480 55.049 2.431 1 1 162 . 13 1 1 A 18 18 PHE CB C 18 41.950 42.677 -0.727 1 1 163 . 13 1 1 A 18 18 PHE N N 18 127.160 123.787 3.373 1 1 164 . 13 1 1 A 19 19 ARG H H 19 7.920 8.824 -0.904 1 1 165 . 13 1 1 A 19 19 ARG HA H 19 4.196 4.621 -0.425 1 1 170 . 13 1 1 A 19 19 ARG C C 19 174.930 175.729 -0.799 1 1 171 . 13 1 1 A 19 19 ARG CA C 19 54.800 55.327 -0.527 1 1 172 . 13 1 1 A 19 19 ARG CB C 19 30.610 30.683 -0.073 1 1 173 . 13 1 1 A 19 19 ARG N N 19 127.500 120.214 7.286 1 1 174 . 13 1 1 A 20 20 ALA H H 20 8.067 8.630 -0.563 1 1 175 . 13 1 1 A 20 20 ALA HA H 20 3.729 4.547 -0.818 1 1 179 . 13 1 1 A 20 20 ALA C C 20 177.630 178.230 -0.600 1 1 180 . 13 1 1 A 20 20 ALA CA C 20 53.280 52.197 1.083 1 1 181 . 13 1 1 A 20 20 ALA CB C 20 18.860 19.398 -0.538 1 1 182 . 13 1 1 A 20 20 ALA N N 20 126.460 128.255 -1.795 1 1 183 . 13 1 1 A 21 21 ASP H H 21 8.355 9.172 -0.817 1 1 184 . 13 1 1 A 21 21 ASP HA H 21 4.350 4.389 -0.039 1 1 187 . 13 1 1 A 21 21 ASP C C 21 176.720 176.607 0.113 1 1 188 . 13 1 1 A 21 21 ASP CA C 21 54.480 55.404 -0.924 1 1 189 . 13 1 1 A 21 21 ASP CB C 21 40.350 39.886 0.464 1 1 190 . 13 1 1 A 21 21 ASP N N 21 117.850 120.894 -3.044 1 1 191 . 13 1 1 A 22 22 LEU H H 22 7.705 7.771 -0.066 1 1 192 . 13 1 1 A 22 22 LEU HA H 22 4.088 4.000 0.088 1 1 202 . 13 1 1 A 22 22 LEU C C 22 177.760 177.885 -0.125 1 1 203 . 13 1 1 A 22 22 LEU CA C 22 55.780 57.154 -1.374 1 1 204 . 13 1 1 A 22 22 LEU CB C 22 41.860 41.347 0.513 1 1 205 . 13 1 1 A 22 22 LEU N N 22 121.600 118.661 2.939 1 1 206 . 13 1 1 A 23 23 LEU H H 23 7.717 7.461 0.256 1 1 207 . 13 1 1 A 23 23 LEU HA H 23 4.166 3.933 0.233 1 1 217 . 13 1 1 A 23 23 LEU C C 23 177.840 178.036 -0.196 1 1 218 . 13 1 1 A 23 23 LEU CA C 23 55.960 57.408 -1.448 1 1 219 . 13 1 1 A 23 23 LEU CB C 23 41.950 41.291 0.659 1 1 220 . 13 1 1 A 23 23 LEU N N 23 120.360 119.394 0.966 1 1 221 . 13 1 1 A 24 24 LYS H H 24 7.933 8.011 -0.078 1 1 222 . 13 1 1 A 24 24 LYS HA H 24 4.174 4.146 0.028 1 1 229 . 13 1 1 A 24 24 LYS C C 24 177.190 178.504 -1.314 1 1 230 . 13 1 1 A 24 24 LYS CA C 24 57.050 59.355 -2.305 1 1 231 . 13 1 1 A 24 24 LYS CB C 24 32.880 32.234 0.646 1 1 232 . 13 1 1 A 24 24 LYS N N 24 121.120 118.163 2.957 1 1 233 . 13 1 1 A 25 25 GLU H H 25 8.160 8.053 0.107 1 1 234 . 13 1 1 A 25 25 GLU HA H 25 4.199 4.094 0.105 1 1 239 . 13 1 1 A 25 25 GLU C C 25 176.900 179.192 -2.292 1 1 240 . 13 1 1 A 25 25 GLU CA C 25 57.010 59.506 -2.496 1 1 241 . 13 1 1 A 25 25 GLU CB C 25 30.280 28.692 1.588 1 1 242 . 13 1 1 A 25 25 GLU N N 25 121.550 118.583 2.967 1 1 243 . 13 1 1 A 26 26 MET H H 26 8.270 7.630 0.640 1 1 244 . 13 1 1 A 26 26 MET HA H 26 4.360 4.101 0.259 1 1 252 . 13 1 1 A 26 26 MET C C 26 176.440 178.051 -1.611 1 1 253 . 13 1 1 A 26 26 MET CA C 26 56.180 58.306 -2.126 1 1 254 . 13 1 1 A 26 26 MET CB C 26 33.050 32.170 0.880 1 1 255 . 13 1 1 A 26 26 MET N N 26 120.730 120.018 0.712 1 1 256 . 13 1 1 A 27 27 GLU H H 27 8.297 8.164 0.133 1 1 257 . 13 1 1 A 27 27 GLU HA H 27 4.264 4.016 0.248 1 1 262 . 13 1 1 A 27 27 GLU C C 27 176.650 178.469 -1.819 1 1 263 . 13 1 1 A 27 27 GLU CA C 27 56.830 59.587 -2.757 1 1 264 . 13 1 1 A 27 27 GLU CB C 27 30.530 29.245 1.285 1 1 265 . 13 1 1 A 27 27 GLU N N 27 121.650 120.273 1.377 1 1 266 . 13 1 1 A 28 28 SER H H 28 8.279 8.253 0.026 1 1 267 . 13 1 1 A 28 28 SER HA H 28 4.473 4.157 0.316 1 1 270 . 13 1 1 A 28 28 SER C C 28 174.760 176.883 -2.123 1 1 271 . 13 1 1 A 28 28 SER CA C 28 58.460 61.610 -3.150 1 1 272 . 13 1 1 A 28 28 SER CB C 28 64.190 62.927 1.263 1 1 273 . 13 1 1 A 28 28 SER N N 28 116.610 114.938 1.672 1 1 274 . 13 1 1 A 29 29 SER H H 29 8.443 7.593 0.850 1 1 275 . 13 1 1 A 29 29 SER HA H 29 4.541 4.471 0.070 1 1 278 . 13 1 1 A 29 29 SER C C 29 174.950 174.147 0.803 1 1 279 . 13 1 1 A 29 29 SER CA C 29 58.530 58.745 -0.215 1 1 280 . 13 1 1 A 29 29 SER CB C 29 64.190 63.667 0.523 1 1 281 . 13 1 1 A 29 29 SER N N 29 118.290 114.612 3.678 1 1 282 . 13 1 1 A 30 30 THR H H 30 8.220 7.760 0.460 1 1 283 . 13 1 1 A 30 30 THR HA H 30 4.372 3.960 0.412 1 1 288 . 13 1 1 A 30 30 THR C C 30 175.280 173.924 1.356 1 1 289 . 13 1 1 A 30 30 THR CA C 30 62.260 63.319 -1.059 1 1 290 . 13 1 1 A 30 30 THR CB C 30 69.900 66.613 3.287 1 1 291 . 13 1 1 A 30 30 THR N N 30 115.600 113.564 2.036 1 1 292 . 13 1 1 A 31 31 GLY H H 31 8.401 8.317 0.084 1 1 293 . 13 1 1 A 31 31 GLY HA2 H 31 4.005 4.085 -0.080 1 1 294 . 13 1 1 A 31 31 GLY HA3 H 31 4.005 4.088 -0.083 1 1 295 . 13 1 1 A 31 31 GLY C C 31 174.160 172.300 1.860 1 1 296 . 13 1 1 A 31 31 GLY CA C 31 45.470 44.246 1.224 1 1 297 . 13 1 1 A 31 31 GLY N N 31 111.270 107.928 3.342 1 1 298 . 13 1 1 A 32 32 THR H H 32 8.034 8.272 -0.238 1 1 299 . 13 1 1 A 32 32 THR HA H 32 4.319 4.634 -0.315 1 1 304 . 13 1 1 A 32 32 THR C C 32 174.130 174.168 -0.038 1 1 305 . 13 1 1 A 32 32 THR CA C 32 61.710 61.836 -0.126 1 1 306 . 13 1 1 A 32 32 THR CB C 32 70.150 69.993 0.157 1 1 307 . 13 1 1 A 32 32 THR N N 32 113.770 116.643 -2.873 1 1 308 . 13 1 1 A 33 33 ALA H H 33 8.410 8.554 -0.144 1 1 309 . 13 1 1 A 33 33 ALA HA H 33 4.581 4.488 0.093 1 1 313 . 13 1 1 A 33 33 ALA C C 33 175.490 176.086 -0.596 1 1 314 . 13 1 1 A 33 33 ALA CA C 33 50.680 49.849 0.831 1 1 315 . 13 1 1 A 33 33 ALA N N 33 128.320 128.953 -0.633 1 1 316 . 13 1 1 A 34 34 PRO HA H 34 4.389 4.867 -0.478 1 1 321 . 13 1 1 A 34 34 PRO C C 34 176.650 176.240 0.410 1 1 322 . 13 1 1 A 34 34 PRO CA C 34 63.090 62.426 0.664 1 1 323 . 13 1 1 A 34 34 PRO CB C 34 32.210 32.472 -0.262 1 1 324 . 13 1 1 A 35 35 ALA H H 35 8.433 8.496 -0.063 1 1 325 . 13 1 1 A 35 35 ALA HA H 35 4.275 5.035 -0.760 1 1 329 . 13 1 1 A 35 35 ALA C C 35 177.730 177.360 0.370 1 1 330 . 13 1 1 A 35 35 ALA CA C 35 52.590 50.889 1.701 1 1 331 . 13 1 1 A 35 35 ALA CB C 35 19.450 22.244 -2.794 1 1 332 . 13 1 1 A 35 35 ALA N N 35 124.330 124.493 -0.163 1 1 333 . 13 1 1 A 36 36 SER H H 36 8.259 8.883 -0.624 1 1 334 . 13 1 1 A 36 36 SER HA H 36 4.474 4.587 -0.113 1 1 337 . 13 1 1 A 36 36 SER C C 36 174.860 174.586 0.274 1 1 338 . 13 1 1 A 36 36 SER CA C 36 58.130 58.563 -0.433 1 1 339 . 13 1 1 A 36 36 SER CB C 36 64.190 63.239 0.951 1 1 340 . 13 1 1 A 36 36 SER N N 36 114.560 116.260 -1.700 1 1 341 . 13 1 1 A 37 37 THR H H 37 8.325 7.810 0.515 1 1 342 . 13 1 1 A 37 37 THR HA H 37 4.281 4.688 -0.407 1 1 346 . 13 1 1 A 37 37 THR C C 37 175.110 172.723 2.387 1 1 347 . 13 1 1 A 37 37 THR CA C 37 62.260 61.008 1.252 1 1 348 . 13 1 1 A 37 37 THR CB C 37 70.150 71.061 -0.911 1 1 349 . 13 1 1 A 37 37 THR N N 37 115.300 113.269 2.031 1 1 350 . 13 1 1 A 38 38 GLY H H 38 8.511 8.423 0.088 1 1 351 . 13 1 1 A 38 38 GLY HA2 H 38 3.975 4.237 -0.262 1 1 352 . 13 1 1 A 38 38 GLY HA3 H 38 3.809 4.242 -0.433 1 1 353 . 13 1 1 A 38 38 GLY C C 38 174.470 173.723 0.747 1 1 354 . 13 1 1 A 38 38 GLY CA C 38 45.470 45.536 -0.066 1 1 355 . 13 1 1 A 38 38 GLY N N 38 110.440 107.989 2.451 1 1 356 . 13 1 1 A 39 39 ALA H H 39 8.245 8.754 -0.509 1 1 357 . 13 1 1 A 39 39 ALA HA H 39 4.164 4.276 -0.112 1 1 361 . 13 1 1 A 39 39 ALA C C 39 177.590 179.110 -1.520 1 1 362 . 13 1 1 A 39 39 ALA CA C 39 52.560 53.429 -0.869 1 1 363 . 13 1 1 A 39 39 ALA CB C 39 19.360 19.393 -0.033 1 1 364 . 13 1 1 A 39 39 ALA N N 39 124.080 122.205 1.875 1 1 365 . 13 1 1 A 40 40 GLU H H 40 8.721 8.578 0.143 1 1 366 . 13 1 1 A 40 40 GLU HA H 40 4.083 4.201 -0.118 1 1 371 . 13 1 1 A 40 40 GLU C C 40 176.320 177.758 -1.438 1 1 372 . 13 1 1 A 40 40 GLU CA C 40 57.910 58.097 -0.187 1 1 373 . 13 1 1 A 40 40 GLU CB C 40 29.520 27.871 1.649 1 1 374 . 13 1 1 A 40 40 GLU N N 40 118.270 117.014 1.256 1 1 375 . 13 1 1 A 41 41 ASN H H 41 8.226 8.309 -0.083 1 1 376 . 13 1 1 A 41 41 ASN HA H 41 4.716 4.742 -0.026 1 1 381 . 13 1 1 A 41 41 ASN C C 41 174.800 175.843 -1.043 1 1 382 . 13 1 1 A 41 41 ASN CA C 41 52.880 55.277 -2.397 1 1 383 . 13 1 1 A 41 41 ASN CB C 41 38.840 38.366 0.474 1 1 384 . 13 1 1 A 41 41 ASN N N 41 117.620 117.869 -0.249 1 1 386 . 13 1 1 A 42 42 LEU H H 42 7.629 7.916 -0.287 1 1 387 . 13 1 1 A 42 42 LEU HA H 42 4.418 4.926 -0.508 1 1 397 . 13 1 1 A 42 42 LEU C C 42 174.610 175.542 -0.932 1 1 398 . 13 1 1 A 42 42 LEU CA C 42 53.170 51.777 1.393 1 1 399 . 13 1 1 A 42 42 LEU N N 42 123.010 118.740 4.270 1 1 400 . 13 1 1 A 43 43 PRO HA H 43 4.366 4.345 0.021 1 1 407 . 13 1 1 A 43 43 PRO C C 43 177.050 178.191 -1.141 1 1 408 . 13 1 1 A 43 43 PRO CA C 43 62.260 66.323 -4.063 1 1 409 . 13 1 1 A 43 43 PRO CB C 43 32.380 31.416 0.964 1 1 410 . 13 1 1 A 44 44 ALA H H 44 8.552 7.365 1.187 1 1 411 . 13 1 1 A 44 44 ALA HA H 44 4.223 4.380 -0.157 1 1 415 . 13 1 1 A 44 44 ALA C C 44 179.500 177.869 1.631 1 1 416 . 13 1 1 A 44 44 ALA CA C 44 53.250 51.829 1.421 1 1 417 . 13 1 1 A 44 44 ALA CB C 44 18.190 19.569 -1.379 1 1 418 . 13 1 1 A 44 44 ALA N N 44 125.070 117.457 7.613 1 1 419 . 13 1 1 A 45 45 GLY H H 45 8.897 9.072 -0.175 1 1 420 . 13 1 1 A 45 45 GLY HA2 H 45 4.214 3.842 0.372 1 1 421 . 13 1 1 A 45 45 GLY HA3 H 45 3.833 3.876 -0.043 1 1 422 . 13 1 1 A 45 45 GLY C C 45 173.720 173.726 -0.006 1 1 423 . 13 1 1 A 45 45 GLY CA C 45 45.790 45.554 0.236 1 1 424 . 13 1 1 A 45 45 GLY N N 45 110.600 108.189 2.411 1 1 425 . 13 1 1 A 46 46 SER H H 46 7.690 8.068 -0.378 1 1 426 . 13 1 1 A 46 46 SER HA H 46 5.338 5.310 0.028 1 1 429 . 13 1 1 A 46 46 SER C C 46 172.990 173.207 -0.217 1 1 430 . 13 1 1 A 46 46 SER CA C 46 57.810 57.689 0.121 1 1 431 . 13 1 1 A 46 46 SER CB C 46 66.960 66.003 0.957 1 1 432 . 13 1 1 A 46 46 SER N N 46 114.180 116.116 -1.936 1 1 433 . 13 1 1 A 47 47 ALA H H 47 8.435 8.700 -0.265 1 1 434 . 13 1 1 A 47 47 ALA HA H 47 4.338 4.746 -0.408 1 1 438 . 13 1 1 A 47 47 ALA C C 47 173.840 175.725 -1.885 1 1 439 . 13 1 1 A 47 47 ALA CA C 47 51.690 51.259 0.431 1 1 440 . 13 1 1 A 47 47 ALA CB C 47 24.570 22.902 1.668 1 1 441 . 13 1 1 A 47 47 ALA N N 47 120.900 123.439 -2.539 1 1 442 . 13 1 1 A 48 48 LEU H H 48 8.673 8.723 -0.050 1 1 443 . 13 1 1 A 48 48 LEU HA H 48 5.021 5.196 -0.175 1 1 453 . 13 1 1 A 48 48 LEU C C 48 174.680 175.529 -0.849 1 1 454 . 13 1 1 A 48 48 LEU CA C 48 53.350 52.383 0.967 1 1 455 . 13 1 1 A 48 48 LEU CB C 48 48.150 45.459 2.691 1 1 456 . 13 1 1 A 48 48 LEU N N 48 120.170 115.679 4.491 1 1 457 . 13 1 1 A 49 49 LEU H H 49 8.686 9.334 -0.648 1 1 458 . 13 1 1 A 49 49 LEU HA H 49 5.403 5.354 0.049 1 1 468 . 13 1 1 A 49 49 LEU C C 49 176.170 175.071 1.099 1 1 469 . 13 1 1 A 49 49 LEU CA C 49 52.810 53.039 -0.229 1 1 470 . 13 1 1 A 49 49 LEU CB C 49 46.310 44.428 1.882 1 1 471 . 13 1 1 A 49 49 LEU N N 49 120.170 120.785 -0.615 1 1 472 . 13 1 1 A 50 50 VAL H H 50 8.874 9.411 -0.537 1 1 473 . 13 1 1 A 50 50 VAL HA H 50 4.971 5.015 -0.044 1 1 481 . 13 1 1 A 50 50 VAL C C 50 176.740 174.111 2.629 1 1 482 . 13 1 1 A 50 50 VAL CA C 50 59.940 60.035 -0.095 1 1 483 . 13 1 1 A 50 50 VAL CB C 50 34.970 34.417 0.553 1 1 484 . 13 1 1 A 50 50 VAL N N 50 120.580 121.421 -0.841 1 1 485 . 13 1 1 A 51 51 VAL H H 51 8.984 9.139 -0.155 1 1 486 . 13 1 1 A 51 51 VAL HA H 51 4.155 4.092 0.063 1 1 494 . 13 1 1 A 51 51 VAL C C 51 176.050 176.048 0.002 1 1 495 . 13 1 1 A 51 51 VAL CA C 51 64.280 63.165 1.115 1 1 496 . 13 1 1 A 51 51 VAL CB C 51 31.280 31.329 -0.049 1 1 497 . 13 1 1 A 51 51 VAL N N 51 125.710 128.507 -2.797 1 1 498 . 13 1 1 A 52 52 LYS H H 52 9.444 9.083 0.361 1 1 499 . 13 1 1 A 52 52 LYS HA H 52 4.450 4.330 0.120 1 1 506 . 13 1 1 A 52 52 LYS C C 52 176.150 175.827 0.323 1 1 507 . 13 1 1 A 52 52 LYS CA C 52 57.050 57.660 -0.610 1 1 508 . 13 1 1 A 52 52 LYS CB C 52 34.470 33.834 0.636 1 1 509 . 13 1 1 A 52 52 LYS N N 52 132.750 130.006 2.744 1 1 510 . 13 1 1 A 53 53 ARG H H 53 8.051 7.581 0.470 1 1 511 . 13 1 1 A 53 53 ARG HA H 53 4.685 4.888 -0.203 1 1 516 . 13 1 1 A 53 53 ARG C C 53 173.470 174.906 -1.436 1 1 517 . 13 1 1 A 53 53 ARG CA C 53 55.090 55.435 -0.345 1 1 518 . 13 1 1 A 53 53 ARG CB C 53 34.300 34.184 0.116 1 1 519 . 13 1 1 A 53 53 ARG N N 53 117.320 118.722 -1.402 1 1 520 . 13 1 1 A 54 54 GLY H H 54 8.377 8.398 -0.021 1 1 521 . 13 1 1 A 54 54 GLY HA2 H 54 4.215 4.160 0.055 1 1 522 . 13 1 1 A 54 54 GLY HA3 H 54 3.503 4.189 -0.686 1 1 523 . 13 1 1 A 54 54 GLY C C 54 171.870 174.254 -2.384 1 1 524 . 13 1 1 A 54 54 GLY CA C 54 43.770 44.479 -0.709 1 1 525 . 13 1 1 A 54 54 GLY N N 54 110.960 112.263 -1.303 1 1 526 . 13 1 1 A 55 55 PRO HA H 55 4.255 4.270 -0.015 1 1 531 . 13 1 1 A 55 55 PRO C C 55 175.940 177.542 -1.602 1 1 532 . 13 1 1 A 55 55 PRO CA C 55 64.390 64.904 -0.514 1 1 533 . 13 1 1 A 55 55 PRO CB C 55 31.360 31.759 -0.399 1 1 534 . 13 1 1 A 56 56 ASN H H 56 8.202 8.248 -0.046 1 1 535 . 13 1 1 A 56 56 ASN HA H 56 4.685 4.765 -0.080 1 1 540 . 13 1 1 A 56 56 ASN C C 56 174.410 175.417 -1.007 1 1 541 . 13 1 1 A 56 56 ASN CA C 56 52.120 52.443 -0.323 1 1 542 . 13 1 1 A 56 56 ASN CB C 56 37.070 37.680 -0.610 1 1 543 . 13 1 1 A 56 56 ASN N N 56 114.760 113.496 1.264 1 1 545 . 13 1 1 A 57 57 ALA H H 57 7.283 7.268 0.015 1 1 546 . 13 1 1 A 57 57 ALA HA H 57 3.618 4.141 -0.523 1 1 550 . 13 1 1 A 57 57 ALA C C 57 178.090 178.309 -0.219 1 1 551 . 13 1 1 A 57 57 ALA CA C 57 54.480 53.715 0.765 1 1 552 . 13 1 1 A 57 57 ALA CB C 57 17.760 18.804 -1.044 1 1 553 . 13 1 1 A 57 57 ALA N N 57 120.380 124.092 -3.712 1 1 554 . 13 1 1 A 58 58 GLY H H 58 9.052 8.895 0.157 1 1 555 . 13 1 1 A 58 58 GLY HA2 H 58 4.449 3.990 0.459 1 1 556 . 13 1 1 A 58 58 GLY HA3 H 58 3.415 3.994 -0.579 1 1 557 . 13 1 1 A 58 58 GLY C C 58 174.610 174.460 0.150 1 1 558 . 13 1 1 A 58 58 GLY CA C 58 44.530 45.069 -0.539 1 1 559 . 13 1 1 A 58 58 GLY N N 58 112.180 110.628 1.552 1 1 560 . 13 1 1 A 59 59 ALA H H 59 8.171 7.530 0.641 1 1 561 . 13 1 1 A 59 59 ALA HA H 59 4.081 4.466 -0.385 1 1 565 . 13 1 1 A 59 59 ALA C C 59 175.220 176.790 -1.570 1 1 566 . 13 1 1 A 59 59 ALA CA C 59 53.170 51.575 1.595 1 1 567 . 13 1 1 A 59 59 ALA CB C 59 19.360 20.183 -0.823 1 1 568 . 13 1 1 A 59 59 ALA N N 59 124.650 123.936 0.714 1 1 569 . 13 1 1 A 60 60 ARG H H 60 7.751 8.890 -1.139 1 1 570 . 13 1 1 A 60 60 ARG HA H 60 5.105 5.327 -0.222 1 1 575 . 13 1 1 A 60 60 ARG C C 60 175.320 174.476 0.844 1 1 576 . 13 1 1 A 60 60 ARG CA C 60 54.150 53.988 0.162 1 1 577 . 13 1 1 A 60 60 ARG CB C 60 34.130 34.187 -0.057 1 1 578 . 13 1 1 A 60 60 ARG N N 60 116.920 118.176 -1.256 1 1 579 . 13 1 1 A 61 61 PHE H H 61 9.213 9.416 -0.203 1 1 580 . 13 1 1 A 61 61 PHE HA H 61 4.788 5.062 -0.274 1 1 587 . 13 1 1 A 61 61 PHE C C 61 173.930 174.343 -0.413 1 1 588 . 13 1 1 A 61 61 PHE CA C 61 56.500 56.585 -0.085 1 1 589 . 13 1 1 A 61 61 PHE CB C 61 41.860 42.033 -0.173 1 1 590 . 13 1 1 A 61 61 PHE N N 61 121.090 118.791 2.299 1 1 591 . 13 1 1 A 62 62 LEU H H 62 8.638 8.951 -0.313 1 1 592 . 13 1 1 A 62 62 LEU HA H 62 4.566 4.851 -0.285 1 1 602 . 13 1 1 A 62 62 LEU C C 62 176.570 174.565 2.005 1 1 603 . 13 1 1 A 62 62 LEU CA C 62 55.130 54.061 1.069 1 1 604 . 13 1 1 A 62 62 LEU CB C 62 43.620 44.543 -0.923 1 1 605 . 13 1 1 A 62 62 LEU N N 62 125.630 126.058 -0.428 1 1 606 . 13 1 1 A 63 63 LEU H H 63 8.929 9.562 -0.633 1 1 607 . 13 1 1 A 63 63 LEU HA H 63 4.852 4.849 0.003 1 1 617 . 13 1 1 A 63 63 LEU C C 63 175.070 175.721 -0.651 1 1 618 . 13 1 1 A 63 63 LEU CA C 63 53.170 53.928 -0.758 1 1 619 . 13 1 1 A 63 63 LEU CB C 63 42.110 42.127 -0.017 1 1 620 . 13 1 1 A 63 63 LEU N N 63 125.980 128.393 -2.413 1 1 621 . 13 1 1 A 64 64 ASP H H 64 8.601 8.916 -0.315 1 1 622 . 13 1 1 A 64 64 ASP HA H 64 4.736 5.027 -0.291 1 1 625 . 13 1 1 A 64 64 ASP C C 64 175.130 175.420 -0.290 1 1 626 . 13 1 1 A 64 64 ASP CA C 64 53.640 53.111 0.529 1 1 627 . 13 1 1 A 64 64 ASP CB C 64 41.020 41.717 -0.697 1 1 628 . 13 1 1 A 64 64 ASP N N 64 120.910 126.405 -5.495 1 1 629 . 13 1 1 A 65 65 GLN H H 65 7.497 7.540 -0.043 1 1 630 . 13 1 1 A 65 65 GLN HA H 65 4.856 4.869 -0.013 1 1 637 . 13 1 1 A 65 65 GLN C C 65 173.550 175.566 -2.016 1 1 638 . 13 1 1 A 65 65 GLN CA C 65 52.780 53.274 -0.494 1 1 639 . 13 1 1 A 65 65 GLN N N 65 117.420 117.424 -0.004 1 1 641 . 13 1 1 A 66 66 PRO HA H 66 4.190 4.531 -0.341 1 1 648 . 13 1 1 A 66 66 PRO C C 66 177.400 176.494 0.906 1 1 649 . 13 1 1 A 66 66 PRO CA C 66 66.810 64.227 2.583 1 1 650 . 13 1 1 A 66 66 PRO CB C 66 32.370 31.987 0.383 1 1 651 . 13 1 1 A 67 67 THR H H 67 7.647 7.536 0.111 1 1 652 . 13 1 1 A 67 67 THR HA H 67 4.811 5.449 -0.638 1 1 657 . 13 1 1 A 67 67 THR C C 67 173.280 173.084 0.196 1 1 658 . 13 1 1 A 67 67 THR CA C 67 62.830 61.247 1.583 1 1 659 . 13 1 1 A 67 67 THR CB C 67 71.740 71.959 -0.219 1 1 660 . 13 1 1 A 67 67 THR N N 67 109.270 112.076 -2.806 1 1 661 . 13 1 1 A 68 68 THR H H 68 8.919 9.314 -0.395 1 1 662 . 13 1 1 A 68 68 THR HA H 68 4.968 5.057 -0.089 1 1 667 . 13 1 1 A 68 68 THR C C 68 175.090 173.411 1.679 1 1 668 . 13 1 1 A 68 68 THR CA C 68 61.820 61.611 0.209 1 1 669 . 13 1 1 A 68 68 THR CB C 68 70.730 71.284 -0.554 1 1 670 . 13 1 1 A 68 68 THR N N 68 125.610 122.295 3.315 1 1 671 . 13 1 1 A 69 69 THR H H 69 10.398 8.937 1.461 1 1 672 . 13 1 1 A 69 69 THR HA H 69 4.491 4.803 -0.312 1 1 677 . 13 1 1 A 69 69 THR C C 69 173.140 174.147 -1.007 1 1 678 . 13 1 1 A 69 69 THR CA C 69 61.790 62.250 -0.460 1 1 679 . 13 1 1 A 69 69 THR CB C 69 70.820 70.049 0.771 1 1 680 . 13 1 1 A 69 69 THR N N 69 121.520 122.491 -0.971 1 1 681 . 13 1 1 A 70 70 ALA H H 70 8.722 8.832 -0.110 1 1 682 . 13 1 1 A 70 70 ALA HA H 70 5.696 5.415 0.281 1 1 686 . 13 1 1 A 70 70 ALA C C 70 175.840 176.212 -0.372 1 1 687 . 13 1 1 A 70 70 ALA CA C 70 50.030 50.456 -0.426 1 1 688 . 13 1 1 A 70 70 ALA CB C 70 22.300 22.612 -0.312 1 1 689 . 13 1 1 A 70 70 ALA N N 70 122.410 128.909 -6.499 1 1 690 . 13 1 1 A 71 71 GLY H H 71 8.430 8.307 0.123 1 1 691 . 13 1 1 A 71 71 GLY HA2 H 71 4.474 4.190 0.284 1 1 692 . 13 1 1 A 71 71 GLY HA3 H 71 3.903 4.194 -0.291 1 1 693 . 13 1 1 A 71 71 GLY C C 71 170.540 171.277 -0.737 1 1 694 . 13 1 1 A 71 71 GLY CA C 71 46.300 45.262 1.038 1 1 695 . 13 1 1 A 71 71 GLY N N 71 108.960 108.064 0.896 1 1 696 . 13 1 1 A 72 72 ARG H H 72 8.341 8.872 -0.531 1 1 697 . 13 1 1 A 72 72 ARG HA H 72 4.481 4.808 -0.327 1 1 702 . 13 1 1 A 72 72 ARG C C 72 175.720 175.064 0.656 1 1 703 . 13 1 1 A 72 72 ARG CA C 72 54.800 55.116 -0.316 1 1 704 . 13 1 1 A 72 72 ARG CB C 72 32.540 32.129 0.411 1 1 705 . 13 1 1 A 72 72 ARG N N 72 120.930 120.918 0.012 1 1 706 . 13 1 1 A 73 73 HIS H H 73 9.295 8.704 0.591 1 1 707 . 13 1 1 A 73 73 HIS HA H 73 4.403 5.055 -0.652 1 1 712 . 13 1 1 A 73 73 HIS C C 73 176.860 174.992 1.868 1 1 713 . 13 1 1 A 73 73 HIS CA C 73 57.050 54.219 2.831 1 1 714 . 13 1 1 A 73 73 HIS N N 73 125.290 123.627 1.663 1 1 715 . 13 1 1 A 74 74 PRO HA H 74 4.373 4.414 -0.041 1 1 722 . 13 1 1 A 74 74 PRO C C 74 177.590 177.564 0.026 1 1 723 . 13 1 1 A 74 74 PRO CA C 74 64.930 64.739 0.191 1 1 724 . 13 1 1 A 74 74 PRO CB C 74 32.030 31.865 0.165 1 1 725 . 13 1 1 A 75 75 GLU H H 75 10.575 8.684 1.891 1 1 726 . 13 1 1 A 75 75 GLU HA H 75 4.352 4.144 0.208 1 1 731 . 13 1 1 A 75 75 GLU C C 75 177.320 177.324 -0.004 1 1 732 . 13 1 1 A 75 75 GLU CA C 75 56.070 58.186 -2.116 1 1 733 . 13 1 1 A 75 75 GLU CB C 75 29.010 29.924 -0.914 1 1 734 . 13 1 1 A 75 75 GLU N N 75 119.840 118.187 1.653 1 1 735 . 13 1 1 A 76 76 SER H H 76 8.236 7.766 0.470 1 1 736 . 13 1 1 A 76 76 SER HA H 76 4.100 4.365 -0.265 1 1 739 . 13 1 1 A 76 76 SER C C 76 173.120 174.193 -1.073 1 1 740 . 13 1 1 A 76 76 SER CA C 76 60.160 60.551 -0.391 1 1 741 . 13 1 1 A 76 76 SER CB C 76 65.530 63.724 1.806 1 1 742 . 13 1 1 A 76 76 SER N N 76 118.860 116.263 2.597 1 1 743 . 13 1 1 A 77 77 ASP H H 77 8.541 8.802 -0.261 1 1 744 . 13 1 1 A 77 77 ASP HA H 77 4.344 4.481 -0.137 1 1 747 . 13 1 1 A 77 77 ASP C C 77 177.590 176.149 1.441 1 1 748 . 13 1 1 A 77 77 ASP CA C 77 58.380 56.912 1.468 1 1 749 . 13 1 1 A 77 77 ASP CB C 77 42.110 40.847 1.263 1 1 750 . 13 1 1 A 77 77 ASP N N 77 126.720 124.191 2.529 1 1 751 . 13 1 1 A 78 78 ILE H H 78 8.571 7.593 0.978 1 1 752 . 13 1 1 A 78 78 ILE HA H 78 3.563 4.311 -0.748 1 1 762 . 13 1 1 A 78 78 ILE C C 78 172.930 174.228 -1.298 1 1 763 . 13 1 1 A 78 78 ILE CA C 78 60.880 59.769 1.111 1 1 764 . 13 1 1 A 78 78 ILE CB C 78 37.410 39.566 -2.156 1 1 765 . 13 1 1 A 78 78 ILE N N 78 120.210 114.254 5.956 1 1 766 . 13 1 1 A 79 79 PHE H H 79 8.018 9.004 -0.986 1 1 767 . 13 1 1 A 79 79 PHE HA H 79 5.018 4.715 0.303 1 1 775 . 13 1 1 A 79 79 PHE C C 79 174.130 173.881 0.249 1 1 776 . 13 1 1 A 79 79 PHE CA C 79 55.780 56.282 -0.502 1 1 777 . 13 1 1 A 79 79 PHE CB C 79 39.170 39.900 -0.730 1 1 778 . 13 1 1 A 79 79 PHE N N 79 127.300 126.418 0.882 1 1 779 . 13 1 1 A 80 80 LEU H H 80 7.695 8.784 -1.089 1 1 780 . 13 1 1 A 80 80 LEU HA H 80 3.619 5.025 -1.406 1 1 790 . 13 1 1 A 80 80 LEU C C 80 173.720 174.631 -0.911 1 1 791 . 13 1 1 A 80 80 LEU CA C 80 52.340 53.030 -0.690 1 1 792 . 13 1 1 A 80 80 LEU CB C 80 41.770 44.941 -3.171 1 1 793 . 13 1 1 A 80 80 LEU N N 80 131.810 128.118 3.692 1 1 794 . 13 1 1 A 81 81 ASP H H 81 7.974 8.548 -0.574 1 1 795 . 13 1 1 A 81 81 ASP HA H 81 4.141 5.059 -0.918 1 1 798 . 13 1 1 A 81 81 ASP C C 81 175.130 173.829 1.301 1 1 799 . 13 1 1 A 81 81 ASP CA C 81 53.210 52.322 0.888 1 1 800 . 13 1 1 A 81 81 ASP CB C 81 39.930 43.097 -3.167 1 1 801 . 13 1 1 A 81 81 ASP N N 81 121.130 124.109 -2.979 1 1 802 . 13 1 1 A 82 82 ASP H H 82 7.583 8.649 -1.066 1 1 803 . 13 1 1 A 82 82 ASP HA H 82 4.859 5.090 -0.231 1 1 806 . 13 1 1 A 82 82 ASP C C 82 176.760 176.461 0.299 1 1 807 . 13 1 1 A 82 82 ASP CA C 82 54.980 52.266 2.714 1 1 808 . 13 1 1 A 82 82 ASP CB C 82 39.170 43.432 -4.262 1 1 809 . 13 1 1 A 82 82 ASP N N 82 121.540 126.088 -4.548 1 1 810 . 13 1 1 A 83 83 VAL H H 83 8.344 8.430 -0.086 1 1 811 . 13 1 1 A 83 83 VAL HA H 83 4.012 3.764 0.248 1 1 819 . 13 1 1 A 83 83 VAL C C 83 174.860 176.137 -1.277 1 1 820 . 13 1 1 A 83 83 VAL CA C 83 65.330 65.240 0.090 1 1 821 . 13 1 1 A 83 83 VAL CB C 83 31.530 31.911 -0.381 1 1 822 . 13 1 1 A 83 83 VAL N N 83 122.260 121.101 1.159 1 1 823 . 13 1 1 A 84 84 THR H H 84 8.268 7.761 0.507 1 1 824 . 13 1 1 A 84 84 THR HA H 84 4.540 4.917 -0.377 1 1 828 . 13 1 1 A 84 84 THR C C 84 175.360 173.555 1.805 1 1 829 . 13 1 1 A 84 84 THR CA C 84 63.810 60.654 3.156 1 1 830 . 13 1 1 A 84 84 THR CB C 84 70.900 71.465 -0.565 1 1 831 . 13 1 1 A 84 84 THR N N 84 110.620 111.763 -1.143 1 1 832 . 13 1 1 A 85 85 VAL H H 85 8.579 8.811 -0.232 1 1 833 . 13 1 1 A 85 85 VAL HA H 85 4.254 4.267 -0.013 1 1 841 . 13 1 1 A 85 85 VAL C C 85 177.070 175.503 1.567 1 1 842 . 13 1 1 A 85 85 VAL CA C 85 61.930 62.593 -0.663 1 1 843 . 13 1 1 A 85 85 VAL CB C 85 32.450 30.817 1.633 1 1 844 . 13 1 1 A 85 85 VAL N N 85 126.860 125.086 1.774 1 1 845 . 13 1 1 A 86 86 SER H H 86 11.668 8.042 3.626 1 1 846 . 13 1 1 A 86 86 SER HA H 86 5.203 4.997 0.206 1 1 849 . 13 1 1 A 86 86 SER C C 86 175.470 174.961 0.509 1 1 850 . 13 1 1 A 86 86 SER CA C 86 61.600 56.581 5.019 1 1 851 . 13 1 1 A 86 86 SER CB C 86 64.270 64.280 -0.010 1 1 852 . 13 1 1 A 86 86 SER N N 86 128.670 121.287 7.383 1 1 853 . 13 1 1 A 87 87 ARG H H 87 10.946 8.772 2.174 1 1 854 . 13 1 1 A 87 87 ARG HA H 87 5.179 3.988 1.191 1 1 862 . 13 1 1 A 87 87 ARG C C 87 177.110 176.718 0.392 1 1 863 . 13 1 1 A 87 87 ARG CA C 87 60.810 57.886 2.924 1 1 864 . 13 1 1 A 87 87 ARG CB C 87 29.010 30.857 -1.847 1 1 865 . 13 1 1 A 87 87 ARG N N 87 126.810 124.693 2.117 1 1 867 . 13 1 1 A 88 88 ARG H H 88 7.946 7.905 0.041 1 1 868 . 13 1 1 A 88 88 ARG HA H 88 4.459 4.809 -0.350 1 1 876 . 13 1 1 A 88 88 ARG C C 88 172.990 175.784 -2.794 1 1 877 . 13 1 1 A 88 88 ARG CA C 88 55.060 54.789 0.271 1 1 878 . 13 1 1 A 88 88 ARG CB C 88 29.770 33.175 -3.405 1 1 879 . 13 1 1 A 88 88 ARG N N 88 115.670 117.796 -2.126 1 1 881 . 13 1 1 A 89 89 HIS H H 89 7.613 9.078 -1.465 1 1 882 . 13 1 1 A 89 89 HIS HA H 89 4.437 4.574 -0.137 1 1 888 . 13 1 1 A 89 89 HIS C C 89 174.050 174.806 -0.756 1 1 889 . 13 1 1 A 89 89 HIS CA C 89 58.420 57.986 0.434 1 1 890 . 13 1 1 A 89 89 HIS CB C 89 32.620 31.808 0.812 1 1 891 . 13 1 1 A 89 89 HIS N N 89 124.000 125.075 -1.075 1 1 893 . 13 1 1 A 90 90 ALA H H 90 8.454 7.453 1.001 1 1 894 . 13 1 1 A 90 90 ALA HA H 90 5.529 4.630 0.899 1 1 898 . 13 1 1 A 90 90 ALA C C 90 176.260 174.806 1.454 1 1 899 . 13 1 1 A 90 90 ALA CA C 90 50.240 51.086 -0.846 1 1 900 . 13 1 1 A 90 90 ALA CB C 90 23.220 22.737 0.483 1 1 901 . 13 1 1 A 90 90 ALA N N 90 116.480 118.788 -2.308 1 1 902 . 13 1 1 A 91 91 GLU H H 91 9.216 9.263 -0.047 1 1 903 . 13 1 1 A 91 91 GLU HA H 91 4.931 5.277 -0.346 1 1 908 . 13 1 1 A 91 91 GLU C C 91 173.910 174.971 -1.061 1 1 909 . 13 1 1 A 91 91 GLU CA C 91 54.690 54.920 -0.230 1 1 910 . 13 1 1 A 91 91 GLU CB C 91 34.720 33.406 1.314 1 1 911 . 13 1 1 A 91 91 GLU N N 91 118.140 121.544 -3.404 1 1 912 . 13 1 1 A 92 92 PHE H H 92 9.330 9.643 -0.313 1 1 913 . 13 1 1 A 92 92 PHE HA H 92 5.502 5.184 0.318 1 1 921 . 13 1 1 A 92 92 PHE C C 92 176.650 175.033 1.617 1 1 922 . 13 1 1 A 92 92 PHE CA C 92 56.760 56.813 -0.053 1 1 923 . 13 1 1 A 92 92 PHE CB C 92 41.690 40.884 0.806 1 1 924 . 13 1 1 A 92 92 PHE N N 92 119.490 125.961 -6.471 1 1 925 . 13 1 1 A 93 93 ARG H H 93 9.846 9.292 0.554 1 1 926 . 13 1 1 A 93 93 ARG HA H 93 5.610 5.080 0.530 1 1 934 . 13 1 1 A 93 93 ARG C C 93 175.010 174.970 0.040 1 1 935 . 13 1 1 A 93 93 ARG CA C 93 54.580 54.976 -0.396 1 1 936 . 13 1 1 A 93 93 ARG CB C 93 34.220 32.362 1.858 1 1 937 . 13 1 1 A 93 93 ARG N N 93 127.300 122.719 4.581 1 1 939 . 13 1 1 A 94 94 ILE H H 94 8.521 9.452 -0.931 1 1 940 . 13 1 1 A 94 94 ILE HA H 94 4.410 5.186 -0.776 1 1 950 . 13 1 1 A 94 94 ILE C C 94 176.420 174.739 1.681 1 1 951 . 13 1 1 A 94 94 ILE CA C 94 61.130 60.048 1.082 1 1 952 . 13 1 1 A 94 94 ILE CB C 94 38.830 38.633 0.197 1 1 953 . 13 1 1 A 94 94 ILE N N 94 121.680 125.354 -3.674 1 1 954 . 13 1 1 A 95 95 ASN H H 95 8.847 9.195 -0.348 1 1 955 . 13 1 1 A 95 95 ASN HA H 95 4.796 5.051 -0.255 1 1 960 . 13 1 1 A 95 95 ASN C C 95 174.430 174.268 0.162 1 1 961 . 13 1 1 A 95 95 ASN CA C 95 52.560 52.602 -0.042 1 1 962 . 13 1 1 A 95 95 ASN CB C 95 40.510 40.859 -0.349 1 1 963 . 13 1 1 A 95 95 ASN N N 95 127.100 124.713 2.387 1 1 965 . 13 1 1 A 96 96 GLU H H 96 9.303 9.458 -0.155 1 1 966 . 13 1 1 A 96 96 GLU HA H 96 3.768 4.031 -0.263 1 1 971 . 13 1 1 A 96 96 GLU C C 96 176.280 176.454 -0.174 1 1 972 . 13 1 1 A 96 96 GLU CA C 96 57.150 57.502 -0.352 1 1 973 . 13 1 1 A 96 96 GLU CB C 96 27.590 27.883 -0.293 1 1 974 . 13 1 1 A 96 96 GLU N N 96 125.150 127.015 -1.865 1 1 975 . 13 1 1 A 97 97 GLY H H 97 7.937 8.595 -0.658 1 1 976 . 13 1 1 A 97 97 GLY HA2 H 97 4.042 3.709 0.333 1 1 977 . 13 1 1 A 97 97 GLY HA3 H 97 3.450 3.743 -0.293 1 1 978 . 13 1 1 A 97 97 GLY C C 97 172.990 173.438 -0.448 1 1 979 . 13 1 1 A 97 97 GLY CA C 97 45.390 45.192 0.198 1 1 980 . 13 1 1 A 97 97 GLY N N 97 104.330 104.678 -0.348 1 1 981 . 13 1 1 A 98 98 GLU H H 98 7.557 7.909 -0.352 1 1 982 . 13 1 1 A 98 98 GLU HA H 98 4.591 4.286 0.305 1 1 987 . 13 1 1 A 98 98 GLU C C 98 174.530 175.466 -0.936 1 1 988 . 13 1 1 A 98 98 GLU CA C 98 54.770 54.467 0.303 1 1 989 . 13 1 1 A 98 98 GLU CB C 98 32.290 31.449 0.841 1 1 990 . 13 1 1 A 98 98 GLU N N 98 119.350 119.809 -0.459 1 1 991 . 13 1 1 A 99 99 PHE H H 99 9.412 8.903 0.509 1 1 992 . 13 1 1 A 99 99 PHE HA H 99 5.007 5.378 -0.371 1 1 999 . 13 1 1 A 99 99 PHE C C 99 174.050 174.973 -0.923 1 1 1000 . 13 1 1 A 99 99 PHE CA C 99 57.260 56.944 0.316 1 1 1001 . 13 1 1 A 99 99 PHE CB C 99 42.110 41.197 0.913 1 1 1002 . 13 1 1 A 99 99 PHE N N 99 122.550 121.126 1.424 1 1 1003 . 13 1 1 A 100 100 GLU H H 100 9.444 9.600 -0.156 1 1 1004 . 13 1 1 A 100 100 GLU HA H 100 5.145 5.247 -0.102 1 1 1009 . 13 1 1 A 100 100 GLU C C 100 175.340 174.751 0.589 1 1 1010 . 13 1 1 A 100 100 GLU CA C 100 54.080 54.697 -0.617 1 1 1011 . 13 1 1 A 100 100 GLU CB C 100 34.720 32.409 2.311 1 1 1012 . 13 1 1 A 100 100 GLU N N 100 124.080 120.697 3.383 1 1 1013 . 13 1 1 A 101 101 VAL H H 101 8.726 9.235 -0.509 1 1 1014 . 13 1 1 A 101 101 VAL HA H 101 4.900 4.525 0.375 1 1 1022 . 13 1 1 A 101 101 VAL C C 101 172.510 175.433 -2.923 1 1 1023 . 13 1 1 A 101 101 VAL CA C 101 58.710 61.300 -2.590 1 1 1024 . 13 1 1 A 101 101 VAL CB C 101 33.550 32.803 0.747 1 1 1025 . 13 1 1 A 101 101 VAL N N 101 124.500 125.248 -0.748 1 1 1026 . 13 1 1 A 102 102 VAL H H 102 8.719 9.224 -0.505 1 1 1027 . 13 1 1 A 102 102 VAL HA H 102 4.578 4.886 -0.308 1 1 1035 . 13 1 1 A 102 102 VAL C C 102 175.380 173.864 1.516 1 1 1036 . 13 1 1 A 102 102 VAL CA C 102 60.370 59.377 0.993 1 1 1037 . 13 1 1 A 102 102 VAL CB C 102 36.060 34.247 1.813 1 1 1038 . 13 1 1 A 102 102 VAL N N 102 125.900 122.478 3.422 1 1 1039 . 13 1 1 A 103 103 ASP H H 103 8.626 9.497 -0.871 1 1 1040 . 13 1 1 A 103 103 ASP HA H 103 4.856 4.668 0.188 1 1 1043 . 13 1 1 A 103 103 ASP C C 103 177.300 175.704 1.596 1 1 1044 . 13 1 1 A 103 103 ASP CA C 103 54.580 54.057 0.523 1 1 1045 . 13 1 1 A 103 103 ASP CB C 103 44.210 42.190 2.020 1 1 1046 . 13 1 1 A 103 103 ASP N N 103 127.250 125.654 1.596 1 1 1047 . 13 1 1 A 104 104 VAL H H 104 7.890 8.550 -0.660 1 1 1048 . 13 1 1 A 104 104 VAL HA H 104 4.527 4.336 0.191 1 1 1056 . 13 1 1 A 104 104 VAL C C 104 174.490 176.495 -2.005 1 1 1057 . 13 1 1 A 104 104 VAL CA C 104 60.630 61.391 -0.761 1 1 1058 . 13 1 1 A 104 104 VAL CB C 104 29.350 33.781 -4.431 1 1 1059 . 13 1 1 A 104 104 VAL N N 104 119.270 124.776 -5.506 1 1 1060 . 13 1 1 A 105 105 GLY H H 105 8.690 8.049 0.641 1 1 1061 . 13 1 1 A 105 105 GLY HA2 H 105 4.270 4.182 0.088 1 1 1062 . 13 1 1 A 105 105 GLY HA3 H 105 3.685 4.214 -0.529 1 1 1063 . 13 1 1 A 105 105 GLY C C 105 175.490 174.979 0.511 1 1 1064 . 13 1 1 A 105 105 GLY CA C 105 45.650 45.846 -0.196 1 1 1065 . 13 1 1 A 105 105 GLY N N 105 111.790 110.475 1.315 1 1 1066 . 13 1 1 A 106 106 SER H H 106 9.218 8.160 1.058 1 1 1067 . 13 1 1 A 106 106 SER HA H 106 3.894 4.171 -0.277 1 1 1070 . 13 1 1 A 106 106 SER C C 106 174.590 175.038 -0.448 1 1 1071 . 13 1 1 A 106 106 SER CA C 106 58.600 61.168 -2.568 1 1 1072 . 13 1 1 A 106 106 SER CB C 106 61.250 62.991 -1.741 1 1 1073 . 13 1 1 A 106 106 SER N N 106 121.540 116.319 5.221 1 1 1074 . 13 1 1 A 107 107 LEU H H 107 8.018 7.643 0.375 1 1 1075 . 13 1 1 A 107 107 LEU HA H 107 4.240 4.258 -0.018 1 1 1085 . 13 1 1 A 107 107 LEU C C 107 179.420 177.671 1.749 1 1 1086 . 13 1 1 A 107 107 LEU CA C 107 57.590 55.979 1.611 1 1 1087 . 13 1 1 A 107 107 LEU CB C 107 42.360 42.033 0.327 1 1 1088 . 13 1 1 A 107 107 LEU N N 107 121.520 119.122 2.398 1 1 1089 . 13 1 1 A 108 108 ASN H H 108 8.799 8.025 0.774 1 1 1090 . 13 1 1 A 108 108 ASN HA H 108 4.986 4.565 0.421 1 1 1093 . 13 1 1 A 108 108 ASN C C 108 175.950 175.423 0.527 1 1 1094 . 13 1 1 A 108 108 ASN CA C 108 54.440 53.091 1.349 1 1 1095 . 13 1 1 A 108 108 ASN CB C 108 41.180 39.378 1.802 1 1 1096 . 13 1 1 A 108 108 ASN N N 108 111.800 115.439 -3.639 1 1 1097 . 13 1 1 A 109 109 GLY H H 109 8.025 7.866 0.159 1 1 1098 . 13 1 1 A 109 109 GLY HA2 H 109 4.237 3.942 0.295 1 1 1099 . 13 1 1 A 109 109 GLY HA3 H 109 3.621 3.947 -0.326 1 1 1100 . 13 1 1 A 109 109 GLY C C 109 173.820 174.833 -1.013 1 1 1101 . 13 1 1 A 109 109 GLY CA C 109 44.340 46.442 -2.102 1 1 1102 . 13 1 1 A 109 109 GLY N N 109 110.600 107.431 3.169 1 1 1103 . 13 1 1 A 110 110 THR H H 110 8.770 8.111 0.659 1 1 1104 . 13 1 1 A 110 110 THR HA H 110 4.797 4.445 0.352 1 1 1109 . 13 1 1 A 110 110 THR C C 110 172.570 174.068 -1.498 1 1 1110 . 13 1 1 A 110 110 THR CA C 110 64.540 63.302 1.238 1 1 1111 . 13 1 1 A 110 110 THR CB C 110 70.230 69.056 1.174 1 1 1112 . 13 1 1 A 110 110 THR N N 110 121.240 114.822 6.418 1 1 1113 . 13 1 1 A 111 111 TYR H H 111 8.272 9.002 -0.730 1 1 1114 . 13 1 1 A 111 111 TYR HA H 111 5.155 5.541 -0.386 1 1 1121 . 13 1 1 A 111 111 TYR C C 111 175.860 175.126 0.734 1 1 1122 . 13 1 1 A 111 111 TYR CA C 111 55.820 56.486 -0.666 1 1 1123 . 13 1 1 A 111 111 TYR CB C 111 41.100 41.613 -0.513 1 1 1124 . 13 1 1 A 111 111 TYR N N 111 123.680 125.275 -1.595 1 1 1125 . 13 1 1 A 112 112 VAL H H 112 9.017 9.172 -0.155 1 1 1126 . 13 1 1 A 112 112 VAL HA H 112 4.951 4.663 0.288 1 1 1134 . 13 1 1 A 112 112 VAL C C 112 176.780 175.851 0.929 1 1 1135 . 13 1 1 A 112 112 VAL CA C 112 61.130 60.944 0.186 1 1 1136 . 13 1 1 A 112 112 VAL CB C 112 32.870 34.350 -1.480 1 1 1137 . 13 1 1 A 112 112 VAL N N 112 121.300 123.321 -2.021 1 1 1138 . 13 1 1 A 113 113 ASN H H 113 10.285 9.337 0.948 1 1 1139 . 13 1 1 A 113 113 ASN HA H 113 4.483 4.657 -0.174 1 1 1144 . 13 1 1 A 113 113 ASN C C 113 174.590 174.447 0.143 1 1 1145 . 13 1 1 A 113 113 ASN CA C 113 55.160 54.675 0.485 1 1 1146 . 13 1 1 A 113 113 ASN CB C 113 37.240 36.849 0.391 1 1 1147 . 13 1 1 A 113 113 ASN N N 113 129.510 126.940 2.570 1 1 1149 . 13 1 1 A 114 114 ARG H H 114 9.459 8.549 0.910 1 1 1150 . 13 1 1 A 114 114 ARG HA H 114 3.659 3.934 -0.275 1 1 1158 . 13 1 1 A 114 114 ARG C C 114 174.900 175.073 -0.173 1 1 1159 . 13 1 1 A 114 114 ARG CA C 114 58.280 57.673 0.607 1 1 1160 . 13 1 1 A 114 114 ARG CB C 114 27.250 27.821 -0.571 1 1 1161 . 13 1 1 A 114 114 ARG N N 114 106.570 109.394 -2.824 1 1 1163 . 13 1 1 A 115 115 GLU H H 115 7.827 8.034 -0.207 1 1 1164 . 13 1 1 A 115 115 GLU HA H 115 5.153 4.837 0.316 1 1 1169 . 13 1 1 A 115 115 GLU C C 115 173.950 174.079 -0.129 1 1 1170 . 13 1 1 A 115 115 GLU CA C 115 52.990 52.943 0.047 1 1 1171 . 13 1 1 A 115 115 GLU N N 115 119.780 118.622 1.158 1 1 1172 . 13 1 1 A 116 116 PRO HA H 116 3.983 4.123 -0.140 1 1 1177 . 13 1 1 A 116 116 PRO C C 116 177.780 175.905 1.875 1 1 1178 . 13 1 1 A 116 116 PRO CA C 116 62.910 62.822 0.088 1 1 1179 . 13 1 1 A 116 116 PRO CB C 116 31.200 31.469 -0.269 1 1 1180 . 13 1 1 A 117 117 ARG H H 117 8.414 8.043 0.371 1 1 1181 . 13 1 1 A 117 117 ARG HA H 117 4.699 4.605 0.094 1 1 1189 . 13 1 1 A 117 117 ARG C C 117 175.260 176.117 -0.857 1 1 1190 . 13 1 1 A 117 117 ARG CA C 117 52.990 54.264 -1.274 1 1 1191 . 13 1 1 A 117 117 ARG CB C 117 24.560 33.722 -9.162 1 1 1192 . 13 1 1 A 117 117 ARG N N 117 121.900 123.800 -1.900 1 1 1194 . 13 1 1 A 118 118 ASN H H 118 8.741 8.960 -0.219 1 1 1195 . 13 1 1 A 118 118 ASN HA H 118 4.731 4.683 0.048 1 1 1200 . 13 1 1 A 118 118 ASN C C 118 175.220 174.615 0.605 1 1 1201 . 13 1 1 A 118 118 ASN CA C 118 55.090 54.825 0.265 1 1 1202 . 13 1 1 A 118 118 ASN CB C 118 38.920 40.147 -1.227 1 1 1203 . 13 1 1 A 118 118 ASN N N 118 120.190 120.583 -0.393 1 1 1205 . 13 1 1 A 119 119 ALA H H 119 7.372 7.604 -0.232 1 1 1206 . 13 1 1 A 119 119 ALA HA H 119 5.319 4.947 0.372 1 1 1210 . 13 1 1 A 119 119 ALA C C 119 176.720 175.056 1.664 1 1 1211 . 13 1 1 A 119 119 ALA CA C 119 52.120 51.375 0.745 1 1 1212 . 13 1 1 A 119 119 ALA CB C 119 21.460 22.417 -0.957 1 1 1213 . 13 1 1 A 119 119 ALA N N 119 120.380 118.672 1.708 1 1 1214 . 13 1 1 A 120 120 GLN H H 120 8.787 8.741 0.046 1 1 1215 . 13 1 1 A 120 120 GLN HA H 120 4.505 4.652 -0.147 1 1 1222 . 13 1 1 A 120 120 GLN C C 120 174.380 173.655 0.725 1 1 1223 . 13 1 1 A 120 120 GLN CA C 120 56.030 55.056 0.974 1 1 1224 . 13 1 1 A 120 120 GLN CB C 120 32.790 32.697 0.093 1 1 1225 . 13 1 1 A 120 120 GLN N N 120 121.180 121.009 0.171 1 1 1227 . 13 1 1 A 121 121 VAL H H 121 8.692 8.910 -0.218 1 1 1228 . 13 1 1 A 121 121 VAL HA H 121 4.258 4.751 -0.493 1 1 1236 . 13 1 1 A 121 121 VAL C C 121 176.510 175.226 1.284 1 1 1237 . 13 1 1 A 121 121 VAL CA C 121 64.140 61.695 2.445 1 1 1238 . 13 1 1 A 121 121 VAL CB C 121 31.700 32.751 -1.051 1 1 1239 . 13 1 1 A 121 121 VAL N N 121 129.930 127.222 2.708 1 1 1240 . 13 1 1 A 122 122 MET H H 122 8.924 8.931 -0.007 1 1 1241 . 13 1 1 A 122 122 MET HA H 122 4.419 4.973 -0.554 1 1 1249 . 13 1 1 A 122 122 MET C C 122 174.380 175.421 -1.041 1 1 1250 . 13 1 1 A 122 122 MET CA C 122 55.740 54.095 1.645 1 1 1251 . 13 1 1 A 122 122 MET CB C 122 35.140 33.511 1.629 1 1 1252 . 13 1 1 A 122 122 MET N N 122 129.560 126.600 2.960 1 1 1253 . 13 1 1 A 123 123 GLN H H 123 9.002 8.748 0.254 1 1 1254 . 13 1 1 A 123 123 GLN HA H 123 4.823 4.966 -0.143 1 1 1261 . 13 1 1 A 123 123 GLN C C 123 175.530 175.400 0.130 1 1 1262 . 13 1 1 A 123 123 GLN CA C 123 53.570 54.513 -0.943 1 1 1263 . 13 1 1 A 123 123 GLN CB C 123 32.290 32.395 -0.105 1 1 1264 . 13 1 1 A 123 123 GLN N N 123 119.810 120.663 -0.853 1 1 1266 . 13 1 1 A 124 124 THR H H 124 9.036 8.649 0.387 1 1 1267 . 13 1 1 A 124 124 THR HA H 124 4.208 4.197 0.011 1 1 1272 . 13 1 1 A 124 124 THR C C 124 175.300 175.649 -0.349 1 1 1273 . 13 1 1 A 124 124 THR CA C 124 65.510 63.885 1.625 1 1 1274 . 13 1 1 A 124 124 THR CB C 124 69.560 68.700 0.860 1 1 1275 . 13 1 1 A 124 124 THR N N 124 119.570 116.950 2.620 1 1 1276 . 13 1 1 A 125 125 GLY H H 125 9.921 9.435 0.486 1 1 1277 . 13 1 1 A 125 125 GLY HA2 H 125 4.552 4.032 0.520 1 1 1278 . 13 1 1 A 125 125 GLY HA3 H 125 3.480 4.032 -0.552 1 1 1279 . 13 1 1 A 125 125 GLY C C 125 174.650 174.135 0.515 1 1 1280 . 13 1 1 A 125 125 GLY CA C 125 44.710 45.070 -0.360 1 1 1281 . 13 1 1 A 125 125 GLY N N 125 117.920 116.779 1.141 1 1 1282 . 13 1 1 A 126 126 ASP H H 126 8.638 8.076 0.562 1 1 1283 . 13 1 1 A 126 126 ASP HA H 126 4.876 4.756 0.120 1 1 1286 . 13 1 1 A 126 126 ASP C C 126 174.650 175.447 -0.797 1 1 1287 . 13 1 1 A 126 126 ASP CA C 126 56.140 53.605 2.535 1 1 1288 . 13 1 1 A 126 126 ASP CB C 126 41.690 42.291 -0.601 1 1 1289 . 13 1 1 A 126 126 ASP N N 126 123.190 122.323 0.867 1 1 1290 . 13 1 1 A 127 127 GLU H H 127 8.316 8.669 -0.353 1 1 1291 . 13 1 1 A 127 127 GLU HA H 127 5.341 5.141 0.200 1 1 1296 . 13 1 1 A 127 127 GLU C C 127 175.990 175.103 0.887 1 1 1297 . 13 1 1 A 127 127 GLU CA C 127 54.440 54.840 -0.400 1 1 1298 . 13 1 1 A 127 127 GLU CB C 127 32.790 33.144 -0.354 1 1 1299 . 13 1 1 A 127 127 GLU N N 127 118.480 123.314 -4.834 1 1 1300 . 13 1 1 A 128 128 ILE H H 128 9.910 9.308 0.602 1 1 1301 . 13 1 1 A 128 128 ILE HA H 128 5.334 4.996 0.338 1 1 1311 . 13 1 1 A 128 128 ILE C C 128 174.700 175.086 -0.386 1 1 1312 . 13 1 1 A 128 128 ILE CA C 128 59.470 60.129 -0.659 1 1 1313 . 13 1 1 A 128 128 ILE CB C 128 40.600 40.687 -0.087 1 1 1314 . 13 1 1 A 128 128 ILE N N 128 128.810 123.051 5.759 1 1 1315 . 13 1 1 A 129 129 GLN H H 129 9.502 9.558 -0.056 1 1 1316 . 13 1 1 A 129 129 GLN HA H 129 5.406 5.035 0.371 1 1 1323 . 13 1 1 A 129 129 GLN C C 129 174.950 174.925 0.025 1 1 1324 . 13 1 1 A 129 129 GLN CA C 129 54.800 54.296 0.504 1 1 1325 . 13 1 1 A 129 129 GLN CB C 129 30.690 30.982 -0.292 1 1 1326 . 13 1 1 A 129 129 GLN N N 129 129.270 125.680 3.590 1 1 1328 . 13 1 1 A 130 130 ILE H H 130 8.498 8.566 -0.068 1 1 1329 . 13 1 1 A 130 130 ILE HA H 130 4.116 4.445 -0.329 1 1 1339 . 13 1 1 A 130 130 ILE C C 130 174.860 176.020 -1.160 1 1 1340 . 13 1 1 A 130 130 ILE CA C 130 60.740 59.823 0.917 1 1 1341 . 13 1 1 A 130 130 ILE CB C 130 41.440 39.037 2.403 1 1 1342 . 13 1 1 A 130 130 ILE N N 130 129.070 124.265 4.805 1 1 1343 . 13 1 1 A 131 131 GLY H H 131 9.924 8.385 1.539 1 1 1344 . 13 1 1 A 131 131 GLY HA2 H 131 3.768 3.876 -0.108 1 1 1345 . 13 1 1 A 131 131 GLY HA3 H 131 3.337 3.931 -0.594 1 1 1346 . 13 1 1 A 131 131 GLY C C 131 174.590 174.357 0.233 1 1 1347 . 13 1 1 A 131 131 GLY CA C 131 46.700 47.350 -0.650 1 1 1348 . 13 1 1 A 131 131 GLY N N 131 116.470 117.425 -0.955 1 1 1349 . 13 1 1 A 132 132 LYS H H 132 7.141 8.255 -1.114 1 1 1350 . 13 1 1 A 132 132 LYS HA H 132 3.750 4.523 -0.773 1 1 1357 . 13 1 1 A 132 132 LYS C C 132 175.820 176.120 -0.300 1 1 1358 . 13 1 1 A 132 132 LYS CA C 132 57.550 55.930 1.620 1 1 1359 . 13 1 1 A 132 132 LYS CB C 132 33.300 33.894 -0.594 1 1 1360 . 13 1 1 A 132 132 LYS N N 132 122.960 121.513 1.447 1 1 1361 . 13 1 1 A 133 133 PHE H H 133 8.360 7.866 0.494 1 1 1362 . 13 1 1 A 133 133 PHE HA H 133 4.601 5.297 -0.696 1 1 1370 . 13 1 1 A 133 133 PHE C C 133 174.910 174.189 0.721 1 1 1371 . 13 1 1 A 133 133 PHE CA C 133 58.600 54.926 3.674 1 1 1372 . 13 1 1 A 133 133 PHE CB C 133 40.510 42.437 -1.927 1 1 1373 . 13 1 1 A 133 133 PHE N N 133 118.170 116.008 2.162 1 1 1374 . 13 1 1 A 134 134 ARG H H 134 8.698 9.131 -0.433 1 1 1375 . 13 1 1 A 134 134 ARG HA H 134 5.212 5.121 0.091 1 1 1383 . 13 1 1 A 134 134 ARG C C 134 175.150 174.833 0.317 1 1 1384 . 13 1 1 A 134 134 ARG CA C 134 55.060 54.458 0.602 1 1 1385 . 13 1 1 A 134 134 ARG CB C 134 33.550 33.726 -0.176 1 1 1386 . 13 1 1 A 134 134 ARG N N 134 120.770 118.907 1.863 1 1 1388 . 13 1 1 A 135 135 LEU H H 135 9.904 9.387 0.517 1 1 1389 . 13 1 1 A 135 135 LEU HA H 135 5.544 5.449 0.095 1 1 1399 . 13 1 1 A 135 135 LEU C C 135 175.260 175.632 -0.372 1 1 1400 . 13 1 1 A 135 135 LEU CA C 135 53.930 53.574 0.356 1 1 1401 . 13 1 1 A 135 135 LEU CB C 135 45.550 45.248 0.302 1 1 1402 . 13 1 1 A 135 135 LEU N N 135 127.130 124.740 2.390 1 1 1403 . 13 1 1 A 136 136 VAL H H 136 9.350 9.462 -0.112 1 1 1404 . 13 1 1 A 136 136 VAL HA H 136 5.226 4.781 0.445 1 1 1412 . 13 1 1 A 136 136 VAL C C 136 174.050 174.408 -0.358 1 1 1413 . 13 1 1 A 136 136 VAL CA C 136 60.520 60.838 -0.318 1 1 1414 . 13 1 1 A 136 136 VAL CB C 136 34.890 33.480 1.410 1 1 1415 . 13 1 1 A 136 136 VAL N N 136 121.300 122.667 -1.367 1 1 1416 . 13 1 1 A 137 137 PHE H H 137 8.492 9.392 -0.900 1 1 1417 . 13 1 1 A 137 137 PHE HA H 137 5.007 5.110 -0.103 1 1 1424 . 13 1 1 A 137 137 PHE C C 137 173.340 173.839 -0.499 1 1 1425 . 13 1 1 A 137 137 PHE CA C 137 57.010 56.355 0.655 1 1 1426 . 13 1 1 A 137 137 PHE CB C 137 41.770 40.796 0.974 1 1 1427 . 13 1 1 A 137 137 PHE N N 137 127.550 128.559 -1.009 1 1 1428 . 13 1 1 A 138 138 LEU H H 138 8.535 9.079 -0.544 1 1 1429 . 13 1 1 A 138 138 LEU HA H 138 4.345 4.850 -0.505 1 1 1439 . 13 1 1 A 138 138 LEU C C 138 173.390 175.232 -1.842 1 1 1440 . 13 1 1 A 138 138 LEU CA C 138 53.680 53.482 0.198 1 1 1441 . 13 1 1 A 138 138 LEU CB C 138 45.210 45.176 0.034 1 1 1442 . 13 1 1 A 138 138 LEU N N 138 128.590 128.076 0.514 1 1 1443 . 13 1 1 A 139 139 ALA H H 139 7.502 9.203 -1.701 1 1 1444 . 13 1 1 A 139 139 ALA HA H 139 3.952 4.373 -0.421 1 1 1448 . 13 1 1 A 139 139 ALA C C 139 178.010 177.211 0.799 1 1 1449 . 13 1 1 A 139 139 ALA CA C 139 51.650 51.285 0.365 1 1 1450 . 13 1 1 A 139 139 ALA CB C 139 20.700 19.769 0.931 1 1 1451 . 13 1 1 A 139 139 ALA N N 139 123.250 125.830 -2.580 1 1 1452 . 13 1 1 A 140 140 GLY H H 140 7.968 8.357 -0.389 1 1 1453 . 13 1 1 A 140 140 GLY HA2 H 140 4.202 3.978 0.224 1 1 1454 . 13 1 1 A 140 140 GLY HA3 H 140 3.595 4.001 -0.406 1 1 1455 . 13 1 1 A 140 140 GLY C C 140 171.240 174.997 -3.757 1 1 1456 . 13 1 1 A 140 140 GLY CA C 140 44.710 46.343 -1.633 1 1 1457 . 13 1 1 A 140 140 GLY N N 140 108.040 111.416 -3.376 1 1 1458 . 13 1 1 A 141 141 PRO HA H 141 4.460 4.561 -0.101 1 1 1463 . 13 1 1 A 141 141 PRO C C 141 176.150 176.425 -0.275 1 1 1464 . 13 1 1 A 141 141 PRO CA C 141 63.230 62.997 0.233 1 1 1465 . 13 1 1 A 141 141 PRO CB C 141 32.370 32.487 -0.117 1 1 1466 . 13 1 1 A 142 142 ALA H H 142 8.496 8.498 -0.002 1 1 1467 . 13 1 1 A 142 142 ALA HA H 142 4.363 4.630 -0.267 1 1 1471 . 13 1 1 A 142 142 ALA C C 142 177.320 176.253 1.067 1 1 1472 . 13 1 1 A 142 142 ALA CA C 142 52.740 51.597 1.143 1 1 1473 . 13 1 1 A 142 142 ALA CB C 142 19.780 19.914 -0.134 1 1 1474 . 13 1 1 A 142 142 ALA N N 142 124.080 121.536 2.544 1 1 4 . 14 1 1 A 2 2 SER H H 2 8.404 8.589 -0.185 1 1 5 . 14 1 1 A 2 2 SER HA H 2 4.430 4.693 -0.263 1 1 8 . 14 1 1 A 2 2 SER C C 2 174.220 173.977 0.243 1 1 9 . 14 1 1 A 2 2 SER CA C 2 58.650 58.073 0.577 1 1 10 . 14 1 1 A 2 2 SER CB C 2 64.280 63.762 0.518 1 1 11 . 14 1 1 A 2 2 SER N N 2 116.880 119.446 -2.566 1 1 12 . 14 1 1 A 3 3 ASP H H 3 8.314 7.800 0.514 1 1 13 . 14 1 1 A 3 3 ASP HA H 3 4.594 4.666 -0.072 1 1 16 . 14 1 1 A 3 3 ASP C C 3 176.070 176.216 -0.146 1 1 17 . 14 1 1 A 3 3 ASP CA C 3 54.580 54.846 -0.266 1 1 18 . 14 1 1 A 3 3 ASP CB C 3 41.530 41.487 0.043 1 1 19 . 14 1 1 A 3 3 ASP N N 3 122.210 122.321 -0.111 1 1 20 . 14 1 1 A 4 4 ASN H H 4 8.326 8.656 -0.330 1 1 21 . 14 1 1 A 4 4 ASN HA H 4 4.748 4.877 -0.129 1 1 24 . 14 1 1 A 4 4 ASN C C 4 175.130 175.281 -0.151 1 1 25 . 14 1 1 A 4 4 ASN CA C 4 53.430 52.975 0.455 1 1 26 . 14 1 1 A 4 4 ASN CB C 4 38.920 39.578 -0.658 1 1 27 . 14 1 1 A 4 4 ASN N N 4 118.670 119.384 -0.714 1 1 28 . 14 1 1 A 5 5 ASN H H 5 8.467 8.712 -0.245 1 1 29 . 14 1 1 A 5 5 ASN HA H 5 4.702 4.873 -0.171 1 1 32 . 14 1 1 A 5 5 ASN C C 5 175.700 175.386 0.314 1 1 33 . 14 1 1 A 5 5 ASN CA C 5 53.610 52.773 0.837 1 1 34 . 14 1 1 A 5 5 ASN CB C 5 39.090 37.957 1.133 1 1 35 . 14 1 1 A 5 5 ASN N N 5 119.070 118.721 0.349 1 1 36 . 14 1 1 A 6 6 GLY H H 6 8.333 8.429 -0.096 1 1 37 . 14 1 1 A 6 6 GLY HA2 H 6 3.960 4.073 -0.113 1 1 38 . 14 1 1 A 6 6 GLY HA3 H 6 3.960 4.075 -0.115 1 1 39 . 14 1 1 A 6 6 GLY C C 6 174.050 172.946 1.104 1 1 40 . 14 1 1 A 6 6 GLY CA C 6 45.390 44.263 1.127 1 1 41 . 14 1 1 A 6 6 GLY N N 6 109.000 111.645 -2.645 1 1 42 . 14 1 1 A 7 7 THR H H 7 8.076 8.154 -0.078 1 1 43 . 14 1 1 A 7 7 THR HA H 7 4.591 5.055 -0.464 1 1 48 . 14 1 1 A 7 7 THR C C 7 172.840 173.438 -0.598 1 1 49 . 14 1 1 A 7 7 THR CA C 7 60.050 59.249 0.801 1 1 50 . 14 1 1 A 7 7 THR N N 7 116.910 112.184 4.726 1 1 51 . 14 1 1 A 8 8 PRO HA H 8 4.414 4.485 -0.071 1 1 54 . 14 1 1 A 8 8 PRO C C 8 176.690 176.927 -0.237 1 1 55 . 14 1 1 A 8 8 PRO CA C 8 63.090 62.896 0.194 1 1 56 . 14 1 1 A 8 8 PRO CB C 8 32.290 32.056 0.234 1 1 57 . 14 1 1 A 9 9 GLU H H 9 8.467 8.424 0.043 1 1 58 . 14 1 1 A 9 9 GLU HA H 9 4.527 4.551 -0.024 1 1 63 . 14 1 1 A 9 9 GLU C C 9 174.680 175.772 -1.092 1 1 64 . 14 1 1 A 9 9 GLU CA C 9 54.550 54.753 -0.203 1 1 65 . 14 1 1 A 9 9 GLU N N 9 122.910 119.795 3.115 1 1 66 . 14 1 1 A 10 10 PRO HA H 10 4.371 4.675 -0.304 1 1 71 . 14 1 1 A 10 10 PRO C C 10 176.820 175.799 1.021 1 1 72 . 14 1 1 A 10 10 PRO CA C 10 63.300 62.632 0.668 1 1 73 . 14 1 1 A 10 10 PRO CB C 10 32.290 30.339 1.951 1 1 74 . 14 1 1 A 11 11 GLN H H 11 8.543 8.566 -0.023 1 1 75 . 14 1 1 A 11 11 GLN HA H 11 4.334 4.971 -0.637 1 1 82 . 14 1 1 A 11 11 GLN C C 11 176.010 174.419 1.591 1 1 83 . 14 1 1 A 11 11 GLN CA C 11 55.710 54.212 1.498 1 1 84 . 14 1 1 A 11 11 GLN CB C 11 29.520 32.330 -2.810 1 1 85 . 14 1 1 A 11 11 GLN N N 11 121.100 123.396 -2.296 1 1 87 . 14 1 1 A 12 12 VAL H H 12 8.201 8.533 -0.332 1 1 88 . 14 1 1 A 12 12 VAL HA H 12 4.144 4.700 -0.556 1 1 96 . 14 1 1 A 12 12 VAL C C 12 175.940 174.898 1.042 1 1 97 . 14 1 1 A 12 12 VAL CA C 12 62.110 61.606 0.504 1 1 98 . 14 1 1 A 12 12 VAL CB C 12 32.800 32.747 0.053 1 1 99 . 14 1 1 A 12 12 VAL N N 12 122.070 122.183 -0.113 1 1 100 . 14 1 1 A 13 13 GLU H H 13 8.593 8.975 -0.382 1 1 101 . 14 1 1 A 13 13 GLU HA H 13 4.329 4.898 -0.569 1 1 106 . 14 1 1 A 13 13 GLU C C 13 176.720 175.692 1.028 1 1 107 . 14 1 1 A 13 13 GLU CA C 13 56.830 54.267 2.563 1 1 108 . 14 1 1 A 13 13 GLU CB C 13 30.860 33.138 -2.278 1 1 109 . 14 1 1 A 13 13 GLU N N 13 124.660 128.547 -3.887 1 1 138 . 14 1 1 A 17 17 VAL H H 17 8.458 8.717 -0.259 1 1 139 . 14 1 1 A 17 17 VAL HA H 17 4.183 4.951 -0.768 1 1 147 . 14 1 1 A 17 17 VAL C C 17 175.950 175.599 0.351 1 1 148 . 14 1 1 A 17 17 VAL CA C 17 63.780 62.154 1.626 1 1 149 . 14 1 1 A 17 17 VAL CB C 17 32.460 31.817 0.643 1 1 150 . 14 1 1 A 17 17 VAL N N 17 124.860 127.138 -2.278 1 1 151 . 14 1 1 A 18 18 PHE H H 18 8.579 8.879 -0.300 1 1 152 . 14 1 1 A 18 18 PHE HA H 18 4.650 5.771 -1.121 1 1 160 . 14 1 1 A 18 18 PHE C C 18 173.450 173.590 -0.140 1 1 161 . 14 1 1 A 18 18 PHE CA C 18 57.480 55.173 2.307 1 1 162 . 14 1 1 A 18 18 PHE CB C 18 41.950 42.489 -0.539 1 1 163 . 14 1 1 A 18 18 PHE N N 18 127.160 123.426 3.734 1 1 164 . 14 1 1 A 19 19 ARG H H 19 7.920 8.819 -0.899 1 1 165 . 14 1 1 A 19 19 ARG HA H 19 4.196 4.799 -0.603 1 1 170 . 14 1 1 A 19 19 ARG C C 19 174.930 175.505 -0.575 1 1 171 . 14 1 1 A 19 19 ARG CA C 19 54.800 55.448 -0.648 1 1 172 . 14 1 1 A 19 19 ARG CB C 19 30.610 31.241 -0.631 1 1 173 . 14 1 1 A 19 19 ARG N N 19 127.500 122.564 4.936 1 1 174 . 14 1 1 A 20 20 ALA H H 20 8.067 8.540 -0.473 1 1 175 . 14 1 1 A 20 20 ALA HA H 20 3.729 4.620 -0.891 1 1 179 . 14 1 1 A 20 20 ALA C C 20 177.630 177.170 0.460 1 1 180 . 14 1 1 A 20 20 ALA CA C 20 53.280 51.098 2.182 1 1 181 . 14 1 1 A 20 20 ALA CB C 20 18.860 20.841 -1.981 1 1 182 . 14 1 1 A 20 20 ALA N N 20 126.460 127.291 -0.831 1 1 183 . 14 1 1 A 21 21 ASP H H 21 8.355 9.181 -0.826 1 1 184 . 14 1 1 A 21 21 ASP HA H 21 4.350 4.536 -0.186 1 1 187 . 14 1 1 A 21 21 ASP C C 21 176.720 177.670 -0.950 1 1 188 . 14 1 1 A 21 21 ASP CA C 21 54.480 56.267 -1.787 1 1 189 . 14 1 1 A 21 21 ASP CB C 21 40.350 39.961 0.389 1 1 190 . 14 1 1 A 21 21 ASP N N 21 117.850 116.419 1.431 1 1 191 . 14 1 1 A 22 22 LEU H H 22 7.705 7.846 -0.141 1 1 192 . 14 1 1 A 22 22 LEU HA H 22 4.088 4.029 0.059 1 1 202 . 14 1 1 A 22 22 LEU C C 22 177.760 178.109 -0.349 1 1 203 . 14 1 1 A 22 22 LEU CA C 22 55.780 57.690 -1.910 1 1 204 . 14 1 1 A 22 22 LEU CB C 22 41.860 41.335 0.525 1 1 205 . 14 1 1 A 22 22 LEU N N 22 121.600 117.950 3.650 1 1 206 . 14 1 1 A 23 23 LEU H H 23 7.717 7.665 0.052 1 1 207 . 14 1 1 A 23 23 LEU HA H 23 4.166 3.928 0.238 1 1 217 . 14 1 1 A 23 23 LEU C C 23 177.840 178.297 -0.457 1 1 218 . 14 1 1 A 23 23 LEU CA C 23 55.960 57.568 -1.608 1 1 219 . 14 1 1 A 23 23 LEU CB C 23 41.950 41.309 0.641 1 1 220 . 14 1 1 A 23 23 LEU N N 23 120.360 119.243 1.117 1 1 221 . 14 1 1 A 24 24 LYS H H 24 7.933 7.872 0.061 1 1 222 . 14 1 1 A 24 24 LYS HA H 24 4.174 4.118 0.056 1 1 229 . 14 1 1 A 24 24 LYS C C 24 177.190 178.461 -1.271 1 1 230 . 14 1 1 A 24 24 LYS CA C 24 57.050 59.066 -2.016 1 1 231 . 14 1 1 A 24 24 LYS CB C 24 32.880 32.570 0.310 1 1 232 . 14 1 1 A 24 24 LYS N N 24 121.120 118.577 2.543 1 1 233 . 14 1 1 A 25 25 GLU H H 25 8.160 8.207 -0.047 1 1 234 . 14 1 1 A 25 25 GLU HA H 25 4.199 4.081 0.118 1 1 239 . 14 1 1 A 25 25 GLU C C 25 176.900 179.018 -2.118 1 1 240 . 14 1 1 A 25 25 GLU CA C 25 57.010 59.432 -2.422 1 1 241 . 14 1 1 A 25 25 GLU CB C 25 30.280 29.500 0.780 1 1 242 . 14 1 1 A 25 25 GLU N N 25 121.550 119.939 1.611 1 1 243 . 14 1 1 A 26 26 MET H H 26 8.270 7.974 0.296 1 1 244 . 14 1 1 A 26 26 MET HA H 26 4.360 4.010 0.350 1 1 252 . 14 1 1 A 26 26 MET C C 26 176.440 178.229 -1.789 1 1 253 . 14 1 1 A 26 26 MET CA C 26 56.180 58.248 -2.068 1 1 254 . 14 1 1 A 26 26 MET CB C 26 33.050 31.735 1.315 1 1 255 . 14 1 1 A 26 26 MET N N 26 120.730 119.335 1.395 1 1 256 . 14 1 1 A 27 27 GLU H H 27 8.297 7.762 0.535 1 1 257 . 14 1 1 A 27 27 GLU HA H 27 4.264 4.024 0.240 1 1 262 . 14 1 1 A 27 27 GLU C C 27 176.650 178.805 -2.155 1 1 263 . 14 1 1 A 27 27 GLU CA C 27 56.830 59.294 -2.464 1 1 264 . 14 1 1 A 27 27 GLU CB C 27 30.530 29.385 1.145 1 1 265 . 14 1 1 A 27 27 GLU N N 27 121.650 119.533 2.117 1 1 266 . 14 1 1 A 28 28 SER H H 28 8.279 7.968 0.311 1 1 267 . 14 1 1 A 28 28 SER HA H 28 4.473 4.196 0.277 1 1 270 . 14 1 1 A 28 28 SER C C 28 174.760 177.283 -2.523 1 1 271 . 14 1 1 A 28 28 SER CA C 28 58.460 61.250 -2.790 1 1 272 . 14 1 1 A 28 28 SER CB C 28 64.190 62.871 1.319 1 1 273 . 14 1 1 A 28 28 SER N N 28 116.610 116.282 0.328 1 1 274 . 14 1 1 A 29 29 SER H H 29 8.443 7.639 0.804 1 1 275 . 14 1 1 A 29 29 SER HA H 29 4.541 4.380 0.161 1 1 278 . 14 1 1 A 29 29 SER C C 29 174.950 175.105 -0.155 1 1 279 . 14 1 1 A 29 29 SER CA C 29 58.530 61.824 -3.294 1 1 280 . 14 1 1 A 29 29 SER CB C 29 64.190 63.160 1.030 1 1 281 . 14 1 1 A 29 29 SER N N 29 118.290 115.607 2.683 1 1 282 . 14 1 1 A 30 30 THR H H 30 8.220 7.750 0.470 1 1 283 . 14 1 1 A 30 30 THR HA H 30 4.372 4.229 0.143 1 1 288 . 14 1 1 A 30 30 THR C C 30 175.280 174.531 0.749 1 1 289 . 14 1 1 A 30 30 THR CA C 30 62.260 62.721 -0.461 1 1 290 . 14 1 1 A 30 30 THR CB C 30 69.900 68.507 1.393 1 1 291 . 14 1 1 A 30 30 THR N N 30 115.600 115.839 -0.239 1 1 292 . 14 1 1 A 31 31 GLY H H 31 8.401 8.406 -0.005 1 1 293 . 14 1 1 A 31 31 GLY HA2 H 31 4.005 4.219 -0.214 1 1 294 . 14 1 1 A 31 31 GLY HA3 H 31 4.005 4.221 -0.216 1 1 295 . 14 1 1 A 31 31 GLY C C 31 174.160 171.848 2.312 1 1 296 . 14 1 1 A 31 31 GLY CA C 31 45.470 45.531 -0.061 1 1 297 . 14 1 1 A 31 31 GLY N N 31 111.270 112.374 -1.104 1 1 298 . 14 1 1 A 32 32 THR H H 32 8.034 8.695 -0.661 1 1 299 . 14 1 1 A 32 32 THR HA H 32 4.319 4.572 -0.253 1 1 304 . 14 1 1 A 32 32 THR C C 32 174.130 174.340 -0.210 1 1 305 . 14 1 1 A 32 32 THR CA C 32 61.710 63.449 -1.739 1 1 306 . 14 1 1 A 32 32 THR CB C 32 70.150 68.994 1.156 1 1 307 . 14 1 1 A 32 32 THR N N 32 113.770 116.156 -2.386 1 1 308 . 14 1 1 A 33 33 ALA H H 33 8.410 8.591 -0.181 1 1 309 . 14 1 1 A 33 33 ALA HA H 33 4.581 4.783 -0.202 1 1 313 . 14 1 1 A 33 33 ALA C C 33 175.490 175.550 -0.060 1 1 314 . 14 1 1 A 33 33 ALA CA C 33 50.680 50.349 0.331 1 1 315 . 14 1 1 A 33 33 ALA N N 33 128.320 129.751 -1.431 1 1 316 . 14 1 1 A 34 34 PRO HA H 34 4.389 4.601 -0.212 1 1 321 . 14 1 1 A 34 34 PRO C C 34 176.650 176.665 -0.015 1 1 322 . 14 1 1 A 34 34 PRO CA C 34 63.090 62.528 0.562 1 1 323 . 14 1 1 A 34 34 PRO CB C 34 32.210 32.159 0.051 1 1 324 . 14 1 1 A 35 35 ALA H H 35 8.433 8.318 0.115 1 1 325 . 14 1 1 A 35 35 ALA HA H 35 4.275 4.633 -0.358 1 1 329 . 14 1 1 A 35 35 ALA C C 35 177.730 176.933 0.797 1 1 330 . 14 1 1 A 35 35 ALA CA C 35 52.590 51.759 0.831 1 1 331 . 14 1 1 A 35 35 ALA CB C 35 19.450 19.933 -0.483 1 1 332 . 14 1 1 A 35 35 ALA N N 35 124.330 123.967 0.363 1 1 333 . 14 1 1 A 36 36 SER H H 36 8.259 8.473 -0.214 1 1 334 . 14 1 1 A 36 36 SER HA H 36 4.474 5.254 -0.780 1 1 337 . 14 1 1 A 36 36 SER C C 36 174.860 174.395 0.465 1 1 338 . 14 1 1 A 36 36 SER CA C 36 58.130 57.190 0.940 1 1 339 . 14 1 1 A 36 36 SER CB C 36 64.190 65.993 -1.803 1 1 340 . 14 1 1 A 36 36 SER N N 36 114.560 117.701 -3.141 1 1 341 . 14 1 1 A 37 37 THR H H 37 8.325 8.788 -0.463 1 1 342 . 14 1 1 A 37 37 THR HA H 37 4.281 4.549 -0.268 1 1 346 . 14 1 1 A 37 37 THR C C 37 175.110 174.743 0.367 1 1 347 . 14 1 1 A 37 37 THR CA C 37 62.260 62.472 -0.212 1 1 348 . 14 1 1 A 37 37 THR CB C 37 70.150 69.912 0.238 1 1 349 . 14 1 1 A 37 37 THR N N 37 115.300 114.834 0.466 1 1 350 . 14 1 1 A 38 38 GLY H H 38 8.511 7.523 0.988 1 1 351 . 14 1 1 A 38 38 GLY HA2 H 38 3.975 3.950 0.025 1 1 352 . 14 1 1 A 38 38 GLY HA3 H 38 3.809 3.956 -0.147 1 1 353 . 14 1 1 A 38 38 GLY C C 38 174.470 174.832 -0.362 1 1 354 . 14 1 1 A 38 38 GLY CA C 38 45.470 45.810 -0.340 1 1 355 . 14 1 1 A 38 38 GLY N N 38 110.440 109.239 1.201 1 1 356 . 14 1 1 A 39 39 ALA H H 39 8.245 8.408 -0.163 1 1 357 . 14 1 1 A 39 39 ALA HA H 39 4.164 4.038 0.126 1 1 361 . 14 1 1 A 39 39 ALA C C 39 177.590 179.282 -1.692 1 1 362 . 14 1 1 A 39 39 ALA CA C 39 52.560 54.594 -2.034 1 1 363 . 14 1 1 A 39 39 ALA CB C 39 19.360 18.285 1.075 1 1 364 . 14 1 1 A 39 39 ALA N N 39 124.080 124.782 -0.702 1 1 365 . 14 1 1 A 40 40 GLU H H 40 8.721 8.024 0.697 1 1 366 . 14 1 1 A 40 40 GLU HA H 40 4.083 4.214 -0.131 1 1 371 . 14 1 1 A 40 40 GLU C C 40 176.320 178.157 -1.837 1 1 372 . 14 1 1 A 40 40 GLU CA C 40 57.910 58.350 -0.440 1 1 373 . 14 1 1 A 40 40 GLU CB C 40 29.520 29.171 0.349 1 1 374 . 14 1 1 A 40 40 GLU N N 40 118.270 117.931 0.339 1 1 375 . 14 1 1 A 41 41 ASN H H 41 8.226 8.056 0.170 1 1 376 . 14 1 1 A 41 41 ASN HA H 41 4.716 4.713 0.003 1 1 381 . 14 1 1 A 41 41 ASN C C 41 174.800 175.348 -0.548 1 1 382 . 14 1 1 A 41 41 ASN CA C 41 52.880 55.483 -2.603 1 1 383 . 14 1 1 A 41 41 ASN CB C 41 38.840 39.379 -0.539 1 1 384 . 14 1 1 A 41 41 ASN N N 41 117.620 116.627 0.993 1 1 386 . 14 1 1 A 42 42 LEU H H 42 7.629 8.026 -0.397 1 1 387 . 14 1 1 A 42 42 LEU HA H 42 4.418 4.868 -0.450 1 1 397 . 14 1 1 A 42 42 LEU C C 42 174.610 175.366 -0.756 1 1 398 . 14 1 1 A 42 42 LEU CA C 42 53.170 51.782 1.388 1 1 399 . 14 1 1 A 42 42 LEU N N 42 123.010 119.995 3.015 1 1 400 . 14 1 1 A 43 43 PRO HA H 43 4.366 4.429 -0.063 1 1 407 . 14 1 1 A 43 43 PRO C C 43 177.050 178.906 -1.856 1 1 408 . 14 1 1 A 43 43 PRO CA C 43 62.260 65.905 -3.645 1 1 409 . 14 1 1 A 43 43 PRO CB C 43 32.380 31.599 0.781 1 1 410 . 14 1 1 A 44 44 ALA H H 44 8.552 7.749 0.803 1 1 411 . 14 1 1 A 44 44 ALA HA H 44 4.223 4.277 -0.054 1 1 415 . 14 1 1 A 44 44 ALA C C 44 179.500 178.156 1.344 1 1 416 . 14 1 1 A 44 44 ALA CA C 44 53.250 52.335 0.915 1 1 417 . 14 1 1 A 44 44 ALA CB C 44 18.190 19.383 -1.193 1 1 418 . 14 1 1 A 44 44 ALA N N 44 125.070 118.750 6.320 1 1 419 . 14 1 1 A 45 45 GLY H H 45 8.897 8.746 0.151 1 1 420 . 14 1 1 A 45 45 GLY HA2 H 45 4.214 3.985 0.229 1 1 421 . 14 1 1 A 45 45 GLY HA3 H 45 3.833 4.040 -0.207 1 1 422 . 14 1 1 A 45 45 GLY C C 45 173.720 173.709 0.011 1 1 423 . 14 1 1 A 45 45 GLY CA C 45 45.790 45.413 0.377 1 1 424 . 14 1 1 A 45 45 GLY N N 45 110.600 108.148 2.452 1 1 425 . 14 1 1 A 46 46 SER H H 46 7.690 7.960 -0.270 1 1 426 . 14 1 1 A 46 46 SER HA H 46 5.338 5.314 0.024 1 1 429 . 14 1 1 A 46 46 SER C C 46 172.990 173.007 -0.017 1 1 430 . 14 1 1 A 46 46 SER CA C 46 57.810 57.621 0.189 1 1 431 . 14 1 1 A 46 46 SER CB C 46 66.960 66.326 0.634 1 1 432 . 14 1 1 A 46 46 SER N N 46 114.180 117.426 -3.246 1 1 433 . 14 1 1 A 47 47 ALA H H 47 8.435 8.566 -0.131 1 1 434 . 14 1 1 A 47 47 ALA HA H 47 4.338 4.850 -0.512 1 1 438 . 14 1 1 A 47 47 ALA C C 47 173.840 175.806 -1.966 1 1 439 . 14 1 1 A 47 47 ALA CA C 47 51.690 50.824 0.866 1 1 440 . 14 1 1 A 47 47 ALA CB C 47 24.570 22.641 1.929 1 1 441 . 14 1 1 A 47 47 ALA N N 47 120.900 123.416 -2.516 1 1 442 . 14 1 1 A 48 48 LEU H H 48 8.673 8.351 0.322 1 1 443 . 14 1 1 A 48 48 LEU HA H 48 5.021 5.278 -0.257 1 1 453 . 14 1 1 A 48 48 LEU C C 48 174.680 175.566 -0.886 1 1 454 . 14 1 1 A 48 48 LEU CA C 48 53.350 52.449 0.901 1 1 455 . 14 1 1 A 48 48 LEU CB C 48 48.150 45.463 2.687 1 1 456 . 14 1 1 A 48 48 LEU N N 48 120.170 115.765 4.405 1 1 457 . 14 1 1 A 49 49 LEU H H 49 8.686 9.197 -0.511 1 1 458 . 14 1 1 A 49 49 LEU HA H 49 5.403 5.353 0.050 1 1 468 . 14 1 1 A 49 49 LEU C C 49 176.170 175.309 0.861 1 1 469 . 14 1 1 A 49 49 LEU CA C 49 52.810 53.025 -0.215 1 1 470 . 14 1 1 A 49 49 LEU CB C 49 46.310 44.436 1.874 1 1 471 . 14 1 1 A 49 49 LEU N N 49 120.170 120.843 -0.673 1 1 472 . 14 1 1 A 50 50 VAL H H 50 8.874 9.515 -0.641 1 1 473 . 14 1 1 A 50 50 VAL HA H 50 4.971 4.935 0.036 1 1 481 . 14 1 1 A 50 50 VAL C C 50 176.740 175.376 1.364 1 1 482 . 14 1 1 A 50 50 VAL CA C 50 59.940 60.233 -0.293 1 1 483 . 14 1 1 A 50 50 VAL CB C 50 34.970 34.137 0.833 1 1 484 . 14 1 1 A 50 50 VAL N N 50 120.580 121.807 -1.227 1 1 485 . 14 1 1 A 51 51 VAL H H 51 8.984 9.104 -0.120 1 1 486 . 14 1 1 A 51 51 VAL HA H 51 4.155 4.067 0.088 1 1 494 . 14 1 1 A 51 51 VAL C C 51 176.050 176.090 -0.040 1 1 495 . 14 1 1 A 51 51 VAL CA C 51 64.280 63.381 0.899 1 1 496 . 14 1 1 A 51 51 VAL CB C 51 31.280 31.306 -0.026 1 1 497 . 14 1 1 A 51 51 VAL N N 51 125.710 127.004 -1.294 1 1 498 . 14 1 1 A 52 52 LYS H H 52 9.444 9.049 0.395 1 1 499 . 14 1 1 A 52 52 LYS HA H 52 4.450 4.288 0.162 1 1 506 . 14 1 1 A 52 52 LYS C C 52 176.150 175.806 0.344 1 1 507 . 14 1 1 A 52 52 LYS CA C 52 57.050 57.723 -0.673 1 1 508 . 14 1 1 A 52 52 LYS CB C 52 34.470 33.802 0.668 1 1 509 . 14 1 1 A 52 52 LYS N N 52 132.750 130.041 2.709 1 1 510 . 14 1 1 A 53 53 ARG H H 53 8.051 7.363 0.688 1 1 511 . 14 1 1 A 53 53 ARG HA H 53 4.685 4.737 -0.052 1 1 516 . 14 1 1 A 53 53 ARG C C 53 173.470 174.731 -1.261 1 1 517 . 14 1 1 A 53 53 ARG CA C 53 55.090 55.667 -0.577 1 1 518 . 14 1 1 A 53 53 ARG CB C 53 34.300 33.840 0.460 1 1 519 . 14 1 1 A 53 53 ARG N N 53 117.320 118.655 -1.335 1 1 520 . 14 1 1 A 54 54 GLY H H 54 8.377 8.393 -0.016 1 1 521 . 14 1 1 A 54 54 GLY HA2 H 54 4.215 3.637 0.578 1 1 522 . 14 1 1 A 54 54 GLY HA3 H 54 3.503 3.949 -0.446 1 1 523 . 14 1 1 A 54 54 GLY C C 54 171.870 174.246 -2.376 1 1 524 . 14 1 1 A 54 54 GLY CA C 54 43.770 43.985 -0.215 1 1 525 . 14 1 1 A 54 54 GLY N N 54 110.960 111.678 -0.718 1 1 526 . 14 1 1 A 55 55 PRO HA H 55 4.255 4.240 0.015 1 1 531 . 14 1 1 A 55 55 PRO C C 55 175.940 177.276 -1.336 1 1 532 . 14 1 1 A 55 55 PRO CA C 55 64.390 64.708 -0.318 1 1 533 . 14 1 1 A 55 55 PRO CB C 55 31.360 31.776 -0.416 1 1 534 . 14 1 1 A 56 56 ASN H H 56 8.202 8.125 0.077 1 1 535 . 14 1 1 A 56 56 ASN HA H 56 4.685 4.883 -0.198 1 1 540 . 14 1 1 A 56 56 ASN C C 56 174.410 174.931 -0.521 1 1 541 . 14 1 1 A 56 56 ASN CA C 56 52.120 52.674 -0.554 1 1 542 . 14 1 1 A 56 56 ASN CB C 56 37.070 38.833 -1.763 1 1 543 . 14 1 1 A 56 56 ASN N N 56 114.760 114.507 0.253 1 1 545 . 14 1 1 A 57 57 ALA H H 57 7.283 7.234 0.049 1 1 546 . 14 1 1 A 57 57 ALA HA H 57 3.618 4.376 -0.758 1 1 550 . 14 1 1 A 57 57 ALA C C 57 178.090 178.326 -0.236 1 1 551 . 14 1 1 A 57 57 ALA CA C 57 54.480 53.835 0.645 1 1 552 . 14 1 1 A 57 57 ALA CB C 57 17.760 18.371 -0.611 1 1 553 . 14 1 1 A 57 57 ALA N N 57 120.380 122.332 -1.952 1 1 554 . 14 1 1 A 58 58 GLY H H 58 9.052 9.235 -0.183 1 1 555 . 14 1 1 A 58 58 GLY HA2 H 58 4.449 3.984 0.465 1 1 556 . 14 1 1 A 58 58 GLY HA3 H 58 3.415 3.988 -0.573 1 1 557 . 14 1 1 A 58 58 GLY C C 58 174.610 174.231 0.379 1 1 558 . 14 1 1 A 58 58 GLY CA C 58 44.530 45.045 -0.515 1 1 559 . 14 1 1 A 58 58 GLY N N 58 112.180 110.718 1.462 1 1 560 . 14 1 1 A 59 59 ALA H H 59 8.171 7.769 0.402 1 1 561 . 14 1 1 A 59 59 ALA HA H 59 4.081 4.284 -0.203 1 1 565 . 14 1 1 A 59 59 ALA C C 59 175.220 176.601 -1.381 1 1 566 . 14 1 1 A 59 59 ALA CA C 59 53.170 52.077 1.093 1 1 567 . 14 1 1 A 59 59 ALA CB C 59 19.360 19.823 -0.463 1 1 568 . 14 1 1 A 59 59 ALA N N 59 124.650 123.881 0.769 1 1 569 . 14 1 1 A 60 60 ARG H H 60 7.751 8.785 -1.034 1 1 570 . 14 1 1 A 60 60 ARG HA H 60 5.105 5.349 -0.244 1 1 575 . 14 1 1 A 60 60 ARG C C 60 175.320 174.776 0.544 1 1 576 . 14 1 1 A 60 60 ARG CA C 60 54.150 54.174 -0.024 1 1 577 . 14 1 1 A 60 60 ARG CB C 60 34.130 33.502 0.628 1 1 578 . 14 1 1 A 60 60 ARG N N 60 116.920 118.324 -1.404 1 1 579 . 14 1 1 A 61 61 PHE H H 61 9.213 9.336 -0.123 1 1 580 . 14 1 1 A 61 61 PHE HA H 61 4.788 5.087 -0.299 1 1 587 . 14 1 1 A 61 61 PHE C C 61 173.930 174.485 -0.555 1 1 588 . 14 1 1 A 61 61 PHE CA C 61 56.500 56.250 0.250 1 1 589 . 14 1 1 A 61 61 PHE CB C 61 41.860 42.092 -0.232 1 1 590 . 14 1 1 A 61 61 PHE N N 61 121.090 120.611 0.479 1 1 591 . 14 1 1 A 62 62 LEU H H 62 8.638 8.940 -0.302 1 1 592 . 14 1 1 A 62 62 LEU HA H 62 4.566 4.844 -0.278 1 1 602 . 14 1 1 A 62 62 LEU C C 62 176.570 174.676 1.894 1 1 603 . 14 1 1 A 62 62 LEU CA C 62 55.130 54.132 0.998 1 1 604 . 14 1 1 A 62 62 LEU CB C 62 43.620 44.332 -0.712 1 1 605 . 14 1 1 A 62 62 LEU N N 62 125.630 125.611 0.019 1 1 606 . 14 1 1 A 63 63 LEU H H 63 8.929 9.505 -0.576 1 1 607 . 14 1 1 A 63 63 LEU HA H 63 4.852 4.926 -0.074 1 1 617 . 14 1 1 A 63 63 LEU C C 63 175.070 177.059 -1.989 1 1 618 . 14 1 1 A 63 63 LEU CA C 63 53.170 53.454 -0.284 1 1 619 . 14 1 1 A 63 63 LEU CB C 63 42.110 43.164 -1.054 1 1 620 . 14 1 1 A 63 63 LEU N N 63 125.980 128.653 -2.673 1 1 621 . 14 1 1 A 64 64 ASP H H 64 8.601 8.846 -0.245 1 1 622 . 14 1 1 A 64 64 ASP HA H 64 4.736 5.107 -0.371 1 1 625 . 14 1 1 A 64 64 ASP C C 64 175.130 175.801 -0.671 1 1 626 . 14 1 1 A 64 64 ASP CA C 64 53.640 53.405 0.235 1 1 627 . 14 1 1 A 64 64 ASP CB C 64 41.020 42.156 -1.136 1 1 628 . 14 1 1 A 64 64 ASP N N 64 120.910 118.437 2.473 1 1 629 . 14 1 1 A 65 65 GLN H H 65 7.497 7.435 0.062 1 1 630 . 14 1 1 A 65 65 GLN HA H 65 4.856 4.729 0.127 1 1 637 . 14 1 1 A 65 65 GLN C C 65 173.550 175.455 -1.905 1 1 638 . 14 1 1 A 65 65 GLN CA C 65 52.780 53.530 -0.750 1 1 639 . 14 1 1 A 65 65 GLN N N 65 117.420 115.511 1.909 1 1 641 . 14 1 1 A 66 66 PRO HA H 66 4.190 4.267 -0.077 1 1 648 . 14 1 1 A 66 66 PRO C C 66 177.400 176.601 0.799 1 1 649 . 14 1 1 A 66 66 PRO CA C 66 66.810 64.629 2.181 1 1 650 . 14 1 1 A 66 66 PRO CB C 66 32.370 32.107 0.263 1 1 651 . 14 1 1 A 67 67 THR H H 67 7.647 7.491 0.156 1 1 652 . 14 1 1 A 67 67 THR HA H 67 4.811 5.106 -0.295 1 1 657 . 14 1 1 A 67 67 THR C C 67 173.280 173.258 0.022 1 1 658 . 14 1 1 A 67 67 THR CA C 67 62.830 61.148 1.682 1 1 659 . 14 1 1 A 67 67 THR CB C 67 71.740 71.612 0.128 1 1 660 . 14 1 1 A 67 67 THR N N 67 109.270 112.525 -3.255 1 1 661 . 14 1 1 A 68 68 THR H H 68 8.919 9.536 -0.617 1 1 662 . 14 1 1 A 68 68 THR HA H 68 4.968 5.142 -0.174 1 1 667 . 14 1 1 A 68 68 THR C C 68 175.090 173.393 1.697 1 1 668 . 14 1 1 A 68 68 THR CA C 68 61.820 61.710 0.110 1 1 669 . 14 1 1 A 68 68 THR CB C 68 70.730 71.079 -0.349 1 1 670 . 14 1 1 A 68 68 THR N N 68 125.610 123.024 2.586 1 1 671 . 14 1 1 A 69 69 THR H H 69 10.398 8.898 1.500 1 1 672 . 14 1 1 A 69 69 THR HA H 69 4.491 4.933 -0.442 1 1 677 . 14 1 1 A 69 69 THR C C 69 173.140 174.019 -0.879 1 1 678 . 14 1 1 A 69 69 THR CA C 69 61.790 61.713 0.077 1 1 679 . 14 1 1 A 69 69 THR CB C 69 70.820 70.517 0.303 1 1 680 . 14 1 1 A 69 69 THR N N 69 121.520 122.862 -1.342 1 1 681 . 14 1 1 A 70 70 ALA H H 70 8.722 9.216 -0.494 1 1 682 . 14 1 1 A 70 70 ALA HA H 70 5.696 5.525 0.171 1 1 686 . 14 1 1 A 70 70 ALA C C 70 175.840 175.804 0.036 1 1 687 . 14 1 1 A 70 70 ALA CA C 70 50.030 50.496 -0.466 1 1 688 . 14 1 1 A 70 70 ALA CB C 70 22.300 22.700 -0.400 1 1 689 . 14 1 1 A 70 70 ALA N N 70 122.410 126.993 -4.583 1 1 690 . 14 1 1 A 71 71 GLY H H 71 8.430 7.939 0.491 1 1 691 . 14 1 1 A 71 71 GLY HA2 H 71 4.474 4.235 0.239 1 1 692 . 14 1 1 A 71 71 GLY HA3 H 71 3.903 4.242 -0.339 1 1 693 . 14 1 1 A 71 71 GLY C C 71 170.540 172.015 -1.475 1 1 694 . 14 1 1 A 71 71 GLY CA C 71 46.300 45.137 1.163 1 1 695 . 14 1 1 A 71 71 GLY N N 71 108.960 108.310 0.650 1 1 696 . 14 1 1 A 72 72 ARG H H 72 8.341 8.891 -0.550 1 1 697 . 14 1 1 A 72 72 ARG HA H 72 4.481 4.682 -0.201 1 1 702 . 14 1 1 A 72 72 ARG C C 72 175.720 176.546 -0.826 1 1 703 . 14 1 1 A 72 72 ARG CA C 72 54.800 55.766 -0.966 1 1 704 . 14 1 1 A 72 72 ARG CB C 72 32.540 31.760 0.780 1 1 705 . 14 1 1 A 72 72 ARG N N 72 120.930 122.999 -2.069 1 1 706 . 14 1 1 A 73 73 HIS H H 73 9.295 9.151 0.144 1 1 707 . 14 1 1 A 73 73 HIS HA H 73 4.403 4.747 -0.344 1 1 712 . 14 1 1 A 73 73 HIS C C 73 176.860 174.731 2.129 1 1 713 . 14 1 1 A 73 73 HIS CA C 73 57.050 57.176 -0.126 1 1 714 . 14 1 1 A 73 73 HIS N N 73 125.290 116.310 8.980 1 1 715 . 14 1 1 A 74 74 PRO HA H 74 4.373 4.402 -0.029 1 1 722 . 14 1 1 A 74 74 PRO C C 74 177.590 177.295 0.295 1 1 723 . 14 1 1 A 74 74 PRO CA C 74 64.930 64.323 0.607 1 1 724 . 14 1 1 A 74 74 PRO CB C 74 32.030 31.593 0.437 1 1 725 . 14 1 1 A 75 75 GLU H H 75 10.575 8.576 1.999 1 1 726 . 14 1 1 A 75 75 GLU HA H 75 4.352 4.226 0.126 1 1 731 . 14 1 1 A 75 75 GLU C C 75 177.320 177.034 0.286 1 1 732 . 14 1 1 A 75 75 GLU CA C 75 56.070 58.196 -2.126 1 1 733 . 14 1 1 A 75 75 GLU CB C 75 29.010 28.849 0.161 1 1 734 . 14 1 1 A 75 75 GLU N N 75 119.840 116.403 3.437 1 1 735 . 14 1 1 A 76 76 SER H H 76 8.236 7.723 0.513 1 1 736 . 14 1 1 A 76 76 SER HA H 76 4.100 4.380 -0.280 1 1 739 . 14 1 1 A 76 76 SER C C 76 173.120 173.816 -0.696 1 1 740 . 14 1 1 A 76 76 SER CA C 76 60.160 59.983 0.177 1 1 741 . 14 1 1 A 76 76 SER CB C 76 65.530 64.122 1.408 1 1 742 . 14 1 1 A 76 76 SER N N 76 118.860 116.404 2.456 1 1 743 . 14 1 1 A 77 77 ASP H H 77 8.541 8.474 0.067 1 1 744 . 14 1 1 A 77 77 ASP HA H 77 4.344 4.483 -0.139 1 1 747 . 14 1 1 A 77 77 ASP C C 77 177.590 176.217 1.373 1 1 748 . 14 1 1 A 77 77 ASP CA C 77 58.380 56.854 1.526 1 1 749 . 14 1 1 A 77 77 ASP CB C 77 42.110 41.196 0.914 1 1 750 . 14 1 1 A 77 77 ASP N N 77 126.720 123.256 3.464 1 1 751 . 14 1 1 A 78 78 ILE H H 78 8.571 7.329 1.242 1 1 752 . 14 1 1 A 78 78 ILE HA H 78 3.563 4.231 -0.668 1 1 762 . 14 1 1 A 78 78 ILE C C 78 172.930 174.374 -1.444 1 1 763 . 14 1 1 A 78 78 ILE CA C 78 60.880 59.980 0.900 1 1 764 . 14 1 1 A 78 78 ILE CB C 78 37.410 39.053 -1.643 1 1 765 . 14 1 1 A 78 78 ILE N N 78 120.210 114.477 5.733 1 1 766 . 14 1 1 A 79 79 PHE H H 79 8.018 9.009 -0.991 1 1 767 . 14 1 1 A 79 79 PHE HA H 79 5.018 4.881 0.137 1 1 775 . 14 1 1 A 79 79 PHE C C 79 174.130 173.733 0.397 1 1 776 . 14 1 1 A 79 79 PHE CA C 79 55.780 56.280 -0.500 1 1 777 . 14 1 1 A 79 79 PHE CB C 79 39.170 39.932 -0.762 1 1 778 . 14 1 1 A 79 79 PHE N N 79 127.300 126.981 0.319 1 1 779 . 14 1 1 A 80 80 LEU H H 80 7.695 8.868 -1.173 1 1 780 . 14 1 1 A 80 80 LEU HA H 80 3.619 5.264 -1.645 1 1 790 . 14 1 1 A 80 80 LEU C C 80 173.720 174.622 -0.902 1 1 791 . 14 1 1 A 80 80 LEU CA C 80 52.340 53.035 -0.695 1 1 792 . 14 1 1 A 80 80 LEU CB C 80 41.770 45.131 -3.361 1 1 793 . 14 1 1 A 80 80 LEU N N 80 131.810 127.965 3.845 1 1 794 . 14 1 1 A 81 81 ASP H H 81 7.974 8.409 -0.435 1 1 795 . 14 1 1 A 81 81 ASP HA H 81 4.141 4.774 -0.633 1 1 798 . 14 1 1 A 81 81 ASP C C 81 175.130 174.599 0.531 1 1 799 . 14 1 1 A 81 81 ASP CA C 81 53.210 52.908 0.302 1 1 800 . 14 1 1 A 81 81 ASP CB C 81 39.930 42.339 -2.409 1 1 801 . 14 1 1 A 81 81 ASP N N 81 121.130 124.242 -3.112 1 1 802 . 14 1 1 A 82 82 ASP H H 82 7.583 8.658 -1.075 1 1 803 . 14 1 1 A 82 82 ASP HA H 82 4.859 5.160 -0.301 1 1 806 . 14 1 1 A 82 82 ASP C C 82 176.760 176.411 0.349 1 1 807 . 14 1 1 A 82 82 ASP CA C 82 54.980 52.757 2.223 1 1 808 . 14 1 1 A 82 82 ASP CB C 82 39.170 43.285 -4.115 1 1 809 . 14 1 1 A 82 82 ASP N N 82 121.540 126.234 -4.694 1 1 810 . 14 1 1 A 83 83 VAL H H 83 8.344 8.474 -0.130 1 1 811 . 14 1 1 A 83 83 VAL HA H 83 4.012 3.913 0.099 1 1 819 . 14 1 1 A 83 83 VAL C C 83 174.860 175.620 -0.760 1 1 820 . 14 1 1 A 83 83 VAL CA C 83 65.330 64.485 0.845 1 1 821 . 14 1 1 A 83 83 VAL CB C 83 31.530 31.965 -0.435 1 1 822 . 14 1 1 A 83 83 VAL N N 83 122.260 120.931 1.329 1 1 823 . 14 1 1 A 84 84 THR H H 84 8.268 8.269 -0.001 1 1 824 . 14 1 1 A 84 84 THR HA H 84 4.540 4.570 -0.030 1 1 828 . 14 1 1 A 84 84 THR C C 84 175.360 172.773 2.587 1 1 829 . 14 1 1 A 84 84 THR CA C 84 63.810 59.403 4.407 1 1 830 . 14 1 1 A 84 84 THR CB C 84 70.900 70.963 -0.063 1 1 831 . 14 1 1 A 84 84 THR N N 84 110.620 113.023 -2.403 1 1 832 . 14 1 1 A 85 85 VAL H H 85 8.579 8.644 -0.065 1 1 833 . 14 1 1 A 85 85 VAL HA H 85 4.254 4.239 0.015 1 1 841 . 14 1 1 A 85 85 VAL C C 85 177.070 174.539 2.531 1 1 842 . 14 1 1 A 85 85 VAL CA C 85 61.930 62.723 -0.793 1 1 843 . 14 1 1 A 85 85 VAL CB C 85 32.450 30.972 1.478 1 1 844 . 14 1 1 A 85 85 VAL N N 85 126.860 123.612 3.248 1 1 845 . 14 1 1 A 86 86 SER H H 86 11.668 8.348 3.320 1 1 846 . 14 1 1 A 86 86 SER HA H 86 5.203 4.647 0.556 1 1 849 . 14 1 1 A 86 86 SER C C 86 175.470 174.751 0.719 1 1 850 . 14 1 1 A 86 86 SER CA C 86 61.600 56.877 4.723 1 1 851 . 14 1 1 A 86 86 SER CB C 86 64.270 62.183 2.087 1 1 852 . 14 1 1 A 86 86 SER N N 86 128.670 123.519 5.151 1 1 853 . 14 1 1 A 87 87 ARG H H 87 10.946 7.944 3.002 1 1 854 . 14 1 1 A 87 87 ARG HA H 87 5.179 3.636 1.543 1 1 862 . 14 1 1 A 87 87 ARG C C 87 177.110 176.267 0.843 1 1 863 . 14 1 1 A 87 87 ARG CA C 87 60.810 58.656 2.154 1 1 864 . 14 1 1 A 87 87 ARG CB C 87 29.010 29.600 -0.590 1 1 865 . 14 1 1 A 87 87 ARG N N 87 126.810 125.851 0.959 1 1 867 . 14 1 1 A 88 88 ARG H H 88 7.946 7.755 0.191 1 1 868 . 14 1 1 A 88 88 ARG HA H 88 4.459 4.644 -0.185 1 1 876 . 14 1 1 A 88 88 ARG C C 88 172.990 175.749 -2.759 1 1 877 . 14 1 1 A 88 88 ARG CA C 88 55.060 54.805 0.255 1 1 878 . 14 1 1 A 88 88 ARG CB C 88 29.770 31.545 -1.775 1 1 879 . 14 1 1 A 88 88 ARG N N 88 115.670 118.011 -2.341 1 1 881 . 14 1 1 A 89 89 HIS H H 89 7.613 8.307 -0.694 1 1 882 . 14 1 1 A 89 89 HIS HA H 89 4.437 4.974 -0.537 1 1 888 . 14 1 1 A 89 89 HIS C C 89 174.050 174.339 -0.289 1 1 889 . 14 1 1 A 89 89 HIS CA C 89 58.420 58.228 0.192 1 1 890 . 14 1 1 A 89 89 HIS CB C 89 32.620 31.434 1.186 1 1 891 . 14 1 1 A 89 89 HIS N N 89 124.000 124.633 -0.633 1 1 893 . 14 1 1 A 90 90 ALA H H 90 8.454 7.469 0.985 1 1 894 . 14 1 1 A 90 90 ALA HA H 90 5.529 4.623 0.906 1 1 898 . 14 1 1 A 90 90 ALA C C 90 176.260 175.262 0.998 1 1 899 . 14 1 1 A 90 90 ALA CA C 90 50.240 50.308 -0.068 1 1 900 . 14 1 1 A 90 90 ALA CB C 90 23.220 22.895 0.325 1 1 901 . 14 1 1 A 90 90 ALA N N 90 116.480 118.707 -2.227 1 1 902 . 14 1 1 A 91 91 GLU H H 91 9.216 8.893 0.323 1 1 903 . 14 1 1 A 91 91 GLU HA H 91 4.931 5.204 -0.273 1 1 908 . 14 1 1 A 91 91 GLU C C 91 173.910 174.691 -0.781 1 1 909 . 14 1 1 A 91 91 GLU CA C 91 54.690 55.064 -0.374 1 1 910 . 14 1 1 A 91 91 GLU CB C 91 34.720 33.315 1.405 1 1 911 . 14 1 1 A 91 91 GLU N N 91 118.140 121.609 -3.469 1 1 912 . 14 1 1 A 92 92 PHE H H 92 9.330 9.832 -0.502 1 1 913 . 14 1 1 A 92 92 PHE HA H 92 5.502 5.133 0.369 1 1 921 . 14 1 1 A 92 92 PHE C C 92 176.650 175.014 1.636 1 1 922 . 14 1 1 A 92 92 PHE CA C 92 56.760 56.997 -0.237 1 1 923 . 14 1 1 A 92 92 PHE CB C 92 41.690 40.838 0.852 1 1 924 . 14 1 1 A 92 92 PHE N N 92 119.490 126.015 -6.525 1 1 925 . 14 1 1 A 93 93 ARG H H 93 9.846 9.317 0.529 1 1 926 . 14 1 1 A 93 93 ARG HA H 93 5.610 5.060 0.550 1 1 934 . 14 1 1 A 93 93 ARG C C 93 175.010 174.876 0.134 1 1 935 . 14 1 1 A 93 93 ARG CA C 93 54.580 54.831 -0.251 1 1 936 . 14 1 1 A 93 93 ARG CB C 93 34.220 33.191 1.029 1 1 937 . 14 1 1 A 93 93 ARG N N 93 127.300 123.002 4.298 1 1 939 . 14 1 1 A 94 94 ILE H H 94 8.521 9.235 -0.714 1 1 940 . 14 1 1 A 94 94 ILE HA H 94 4.410 4.805 -0.395 1 1 950 . 14 1 1 A 94 94 ILE C C 94 176.420 174.351 2.069 1 1 951 . 14 1 1 A 94 94 ILE CA C 94 61.130 59.785 1.345 1 1 952 . 14 1 1 A 94 94 ILE CB C 94 38.830 38.118 0.712 1 1 953 . 14 1 1 A 94 94 ILE N N 94 121.680 124.288 -2.608 1 1 954 . 14 1 1 A 95 95 ASN H H 95 8.847 9.235 -0.388 1 1 955 . 14 1 1 A 95 95 ASN HA H 95 4.796 5.103 -0.307 1 1 960 . 14 1 1 A 95 95 ASN C C 95 174.430 174.463 -0.033 1 1 961 . 14 1 1 A 95 95 ASN CA C 95 52.560 52.242 0.318 1 1 962 . 14 1 1 A 95 95 ASN CB C 95 40.510 40.797 -0.287 1 1 963 . 14 1 1 A 95 95 ASN N N 95 127.100 125.505 1.595 1 1 965 . 14 1 1 A 96 96 GLU H H 96 9.303 9.477 -0.174 1 1 966 . 14 1 1 A 96 96 GLU HA H 96 3.768 4.063 -0.295 1 1 971 . 14 1 1 A 96 96 GLU C C 96 176.280 176.612 -0.332 1 1 972 . 14 1 1 A 96 96 GLU CA C 96 57.150 57.580 -0.430 1 1 973 . 14 1 1 A 96 96 GLU CB C 96 27.590 27.978 -0.388 1 1 974 . 14 1 1 A 96 96 GLU N N 96 125.150 127.127 -1.977 1 1 975 . 14 1 1 A 97 97 GLY H H 97 7.937 8.709 -0.772 1 1 976 . 14 1 1 A 97 97 GLY HA2 H 97 4.042 3.832 0.210 1 1 977 . 14 1 1 A 97 97 GLY HA3 H 97 3.450 3.867 -0.417 1 1 978 . 14 1 1 A 97 97 GLY C C 97 172.990 173.736 -0.746 1 1 979 . 14 1 1 A 97 97 GLY CA C 97 45.390 45.384 0.006 1 1 980 . 14 1 1 A 97 97 GLY N N 97 104.330 104.448 -0.118 1 1 981 . 14 1 1 A 98 98 GLU H H 98 7.557 7.971 -0.414 1 1 982 . 14 1 1 A 98 98 GLU HA H 98 4.591 4.996 -0.405 1 1 987 . 14 1 1 A 98 98 GLU C C 98 174.530 175.626 -1.096 1 1 988 . 14 1 1 A 98 98 GLU CA C 98 54.770 54.432 0.338 1 1 989 . 14 1 1 A 98 98 GLU CB C 98 32.290 32.109 0.181 1 1 990 . 14 1 1 A 98 98 GLU N N 98 119.350 119.741 -0.391 1 1 991 . 14 1 1 A 99 99 PHE H H 99 9.412 9.352 0.060 1 1 992 . 14 1 1 A 99 99 PHE HA H 99 5.007 5.417 -0.410 1 1 999 . 14 1 1 A 99 99 PHE C C 99 174.050 175.240 -1.190 1 1 1000 . 14 1 1 A 99 99 PHE CA C 99 57.260 57.197 0.063 1 1 1001 . 14 1 1 A 99 99 PHE CB C 99 42.110 40.835 1.275 1 1 1002 . 14 1 1 A 99 99 PHE N N 99 122.550 120.070 2.480 1 1 1003 . 14 1 1 A 100 100 GLU H H 100 9.444 9.471 -0.027 1 1 1004 . 14 1 1 A 100 100 GLU HA H 100 5.145 5.125 0.020 1 1 1009 . 14 1 1 A 100 100 GLU C C 100 175.340 174.887 0.453 1 1 1010 . 14 1 1 A 100 100 GLU CA C 100 54.080 54.808 -0.728 1 1 1011 . 14 1 1 A 100 100 GLU CB C 100 34.720 32.420 2.300 1 1 1012 . 14 1 1 A 100 100 GLU N N 100 124.080 121.610 2.470 1 1 1013 . 14 1 1 A 101 101 VAL H H 101 8.726 9.239 -0.513 1 1 1014 . 14 1 1 A 101 101 VAL HA H 101 4.900 4.523 0.377 1 1 1022 . 14 1 1 A 101 101 VAL C C 101 172.510 174.899 -2.389 1 1 1023 . 14 1 1 A 101 101 VAL CA C 101 58.710 61.420 -2.710 1 1 1024 . 14 1 1 A 101 101 VAL CB C 101 33.550 32.866 0.684 1 1 1025 . 14 1 1 A 101 101 VAL N N 101 124.500 125.144 -0.644 1 1 1026 . 14 1 1 A 102 102 VAL H H 102 8.719 9.456 -0.737 1 1 1027 . 14 1 1 A 102 102 VAL HA H 102 4.578 4.433 0.145 1 1 1035 . 14 1 1 A 102 102 VAL C C 102 175.380 174.859 0.521 1 1 1036 . 14 1 1 A 102 102 VAL CA C 102 60.370 60.660 -0.290 1 1 1037 . 14 1 1 A 102 102 VAL CB C 102 36.060 34.550 1.510 1 1 1038 . 14 1 1 A 102 102 VAL N N 102 125.900 127.849 -1.949 1 1 1039 . 14 1 1 A 103 103 ASP H H 103 8.626 9.054 -0.428 1 1 1040 . 14 1 1 A 103 103 ASP HA H 103 4.856 4.681 0.175 1 1 1043 . 14 1 1 A 103 103 ASP C C 103 177.300 176.834 0.466 1 1 1044 . 14 1 1 A 103 103 ASP CA C 103 54.580 54.248 0.332 1 1 1045 . 14 1 1 A 103 103 ASP CB C 103 44.210 40.886 3.324 1 1 1046 . 14 1 1 A 103 103 ASP N N 103 127.250 126.651 0.599 1 1 1047 . 14 1 1 A 104 104 VAL H H 104 7.890 8.634 -0.744 1 1 1048 . 14 1 1 A 104 104 VAL HA H 104 4.527 4.566 -0.039 1 1 1056 . 14 1 1 A 104 104 VAL C C 104 174.490 175.666 -1.176 1 1 1057 . 14 1 1 A 104 104 VAL CA C 104 60.630 60.972 -0.342 1 1 1058 . 14 1 1 A 104 104 VAL CB C 104 29.350 32.522 -3.172 1 1 1059 . 14 1 1 A 104 104 VAL N N 104 119.270 120.688 -1.418 1 1 1060 . 14 1 1 A 105 105 GLY H H 105 8.690 7.061 1.629 1 1 1061 . 14 1 1 A 105 105 GLY HA2 H 105 4.270 4.042 0.228 1 1 1062 . 14 1 1 A 105 105 GLY HA3 H 105 3.685 4.055 -0.370 1 1 1063 . 14 1 1 A 105 105 GLY C C 105 175.490 172.916 2.574 1 1 1064 . 14 1 1 A 105 105 GLY CA C 105 45.650 45.653 -0.003 1 1 1065 . 14 1 1 A 105 105 GLY N N 105 111.790 110.340 1.450 1 1 1066 . 14 1 1 A 106 106 SER H H 106 9.218 8.826 0.392 1 1 1067 . 14 1 1 A 106 106 SER HA H 106 3.894 4.526 -0.632 1 1 1070 . 14 1 1 A 106 106 SER C C 106 174.590 174.265 0.325 1 1 1071 . 14 1 1 A 106 106 SER CA C 106 58.600 59.254 -0.654 1 1 1072 . 14 1 1 A 106 106 SER CB C 106 61.250 62.666 -1.416 1 1 1073 . 14 1 1 A 106 106 SER N N 106 121.540 120.365 1.175 1 1 1074 . 14 1 1 A 107 107 LEU H H 107 8.018 8.125 -0.107 1 1 1075 . 14 1 1 A 107 107 LEU HA H 107 4.240 4.011 0.229 1 1 1085 . 14 1 1 A 107 107 LEU C C 107 179.420 177.748 1.672 1 1 1086 . 14 1 1 A 107 107 LEU CA C 107 57.590 57.729 -0.139 1 1 1087 . 14 1 1 A 107 107 LEU CB C 107 42.360 41.628 0.732 1 1 1088 . 14 1 1 A 107 107 LEU N N 107 121.520 127.395 -5.875 1 1 1089 . 14 1 1 A 108 108 ASN H H 108 8.799 7.654 1.145 1 1 1090 . 14 1 1 A 108 108 ASN HA H 108 4.986 4.758 0.228 1 1 1093 . 14 1 1 A 108 108 ASN C C 108 175.950 175.357 0.593 1 1 1094 . 14 1 1 A 108 108 ASN CA C 108 54.440 52.734 1.706 1 1 1095 . 14 1 1 A 108 108 ASN CB C 108 41.180 39.859 1.321 1 1 1096 . 14 1 1 A 108 108 ASN N N 108 111.800 114.432 -2.632 1 1 1097 . 14 1 1 A 109 109 GLY H H 109 8.025 7.208 0.817 1 1 1098 . 14 1 1 A 109 109 GLY HA2 H 109 4.237 3.791 0.446 1 1 1099 . 14 1 1 A 109 109 GLY HA3 H 109 3.621 3.948 -0.327 1 1 1100 . 14 1 1 A 109 109 GLY C C 109 173.820 172.863 0.957 1 1 1101 . 14 1 1 A 109 109 GLY CA C 109 44.340 44.621 -0.281 1 1 1102 . 14 1 1 A 109 109 GLY N N 109 110.600 106.212 4.388 1 1 1103 . 14 1 1 A 110 110 THR H H 110 8.770 8.130 0.640 1 1 1104 . 14 1 1 A 110 110 THR HA H 110 4.797 4.532 0.265 1 1 1109 . 14 1 1 A 110 110 THR C C 110 172.570 173.894 -1.324 1 1 1110 . 14 1 1 A 110 110 THR CA C 110 64.540 63.110 1.430 1 1 1111 . 14 1 1 A 110 110 THR CB C 110 70.230 69.284 0.946 1 1 1112 . 14 1 1 A 110 110 THR N N 110 121.240 117.186 4.054 1 1 1113 . 14 1 1 A 111 111 TYR H H 111 8.272 8.812 -0.540 1 1 1114 . 14 1 1 A 111 111 TYR HA H 111 5.155 5.471 -0.316 1 1 1121 . 14 1 1 A 111 111 TYR C C 111 175.860 174.915 0.945 1 1 1122 . 14 1 1 A 111 111 TYR CA C 111 55.820 57.185 -1.365 1 1 1123 . 14 1 1 A 111 111 TYR CB C 111 41.100 40.325 0.775 1 1 1124 . 14 1 1 A 111 111 TYR N N 111 123.680 126.863 -3.183 1 1 1125 . 14 1 1 A 112 112 VAL H H 112 9.017 9.287 -0.270 1 1 1126 . 14 1 1 A 112 112 VAL HA H 112 4.951 4.519 0.432 1 1 1134 . 14 1 1 A 112 112 VAL C C 112 176.780 176.263 0.517 1 1 1135 . 14 1 1 A 112 112 VAL CA C 112 61.130 61.160 -0.030 1 1 1136 . 14 1 1 A 112 112 VAL CB C 112 32.870 34.015 -1.145 1 1 1137 . 14 1 1 A 112 112 VAL N N 112 121.300 123.399 -2.099 1 1 1138 . 14 1 1 A 113 113 ASN H H 113 10.285 9.286 0.999 1 1 1139 . 14 1 1 A 113 113 ASN HA H 113 4.483 4.318 0.165 1 1 1144 . 14 1 1 A 113 113 ASN C C 113 174.590 174.290 0.300 1 1 1145 . 14 1 1 A 113 113 ASN CA C 113 55.160 54.461 0.699 1 1 1146 . 14 1 1 A 113 113 ASN CB C 113 37.240 37.090 0.150 1 1 1147 . 14 1 1 A 113 113 ASN N N 113 129.510 126.964 2.546 1 1 1149 . 14 1 1 A 114 114 ARG H H 114 9.459 8.564 0.895 1 1 1150 . 14 1 1 A 114 114 ARG HA H 114 3.659 3.868 -0.209 1 1 1158 . 14 1 1 A 114 114 ARG C C 114 174.900 175.032 -0.132 1 1 1159 . 14 1 1 A 114 114 ARG CA C 114 58.280 57.654 0.626 1 1 1160 . 14 1 1 A 114 114 ARG CB C 114 27.250 27.644 -0.394 1 1 1161 . 14 1 1 A 114 114 ARG N N 114 106.570 110.829 -4.259 1 1 1163 . 14 1 1 A 115 115 GLU H H 115 7.827 7.995 -0.168 1 1 1164 . 14 1 1 A 115 115 GLU HA H 115 5.153 4.863 0.290 1 1 1169 . 14 1 1 A 115 115 GLU C C 115 173.950 174.297 -0.347 1 1 1170 . 14 1 1 A 115 115 GLU CA C 115 52.990 52.816 0.174 1 1 1171 . 14 1 1 A 115 115 GLU N N 115 119.780 118.656 1.124 1 1 1172 . 14 1 1 A 116 116 PRO HA H 116 3.983 4.440 -0.457 1 1 1177 . 14 1 1 A 116 116 PRO C C 116 177.780 175.258 2.522 1 1 1178 . 14 1 1 A 116 116 PRO CA C 116 62.910 63.220 -0.310 1 1 1179 . 14 1 1 A 116 116 PRO CB C 116 31.200 31.733 -0.533 1 1 1180 . 14 1 1 A 117 117 ARG H H 117 8.414 9.015 -0.601 1 1 1181 . 14 1 1 A 117 117 ARG HA H 117 4.699 4.750 -0.051 1 1 1189 . 14 1 1 A 117 117 ARG C C 117 175.260 175.634 -0.374 1 1 1190 . 14 1 1 A 117 117 ARG CA C 117 52.990 55.033 -2.043 1 1 1191 . 14 1 1 A 117 117 ARG CB C 117 24.560 33.459 -8.899 1 1 1192 . 14 1 1 A 117 117 ARG N N 117 121.900 123.889 -1.989 1 1 1194 . 14 1 1 A 118 118 ASN H H 118 8.741 8.981 -0.240 1 1 1195 . 14 1 1 A 118 118 ASN HA H 118 4.731 4.725 0.006 1 1 1200 . 14 1 1 A 118 118 ASN C C 118 175.220 173.736 1.484 1 1 1201 . 14 1 1 A 118 118 ASN CA C 118 55.090 54.998 0.092 1 1 1202 . 14 1 1 A 118 118 ASN CB C 118 38.920 39.021 -0.101 1 1 1203 . 14 1 1 A 118 118 ASN N N 118 120.190 121.831 -1.641 1 1 1205 . 14 1 1 A 119 119 ALA H H 119 7.372 7.954 -0.582 1 1 1206 . 14 1 1 A 119 119 ALA HA H 119 5.319 5.528 -0.209 1 1 1210 . 14 1 1 A 119 119 ALA C C 119 176.720 175.302 1.418 1 1 1211 . 14 1 1 A 119 119 ALA CA C 119 52.120 50.407 1.713 1 1 1212 . 14 1 1 A 119 119 ALA CB C 119 21.460 22.200 -0.740 1 1 1213 . 14 1 1 A 119 119 ALA N N 119 120.380 120.350 0.030 1 1 1214 . 14 1 1 A 120 120 GLN H H 120 8.787 8.654 0.133 1 1 1215 . 14 1 1 A 120 120 GLN HA H 120 4.505 4.536 -0.031 1 1 1222 . 14 1 1 A 120 120 GLN C C 120 174.380 174.048 0.332 1 1 1223 . 14 1 1 A 120 120 GLN CA C 120 56.030 55.117 0.913 1 1 1224 . 14 1 1 A 120 120 GLN CB C 120 32.790 33.073 -0.283 1 1 1225 . 14 1 1 A 120 120 GLN N N 120 121.180 121.284 -0.104 1 1 1227 . 14 1 1 A 121 121 VAL H H 121 8.692 8.580 0.112 1 1 1228 . 14 1 1 A 121 121 VAL HA H 121 4.258 4.214 0.044 1 1 1236 . 14 1 1 A 121 121 VAL C C 121 176.510 175.327 1.183 1 1 1237 . 14 1 1 A 121 121 VAL CA C 121 64.140 62.658 1.482 1 1 1238 . 14 1 1 A 121 121 VAL CB C 121 31.700 32.037 -0.337 1 1 1239 . 14 1 1 A 121 121 VAL N N 121 129.930 126.211 3.719 1 1 1240 . 14 1 1 A 122 122 MET H H 122 8.924 9.340 -0.416 1 1 1241 . 14 1 1 A 122 122 MET HA H 122 4.419 4.738 -0.319 1 1 1249 . 14 1 1 A 122 122 MET C C 122 174.380 175.586 -1.206 1 1 1250 . 14 1 1 A 122 122 MET CA C 122 55.740 54.028 1.712 1 1 1251 . 14 1 1 A 122 122 MET CB C 122 35.140 33.833 1.307 1 1 1252 . 14 1 1 A 122 122 MET N N 122 129.560 127.491 2.069 1 1 1253 . 14 1 1 A 123 123 GLN H H 123 9.002 8.679 0.323 1 1 1254 . 14 1 1 A 123 123 GLN HA H 123 4.823 4.974 -0.151 1 1 1261 . 14 1 1 A 123 123 GLN C C 123 175.530 175.033 0.497 1 1 1262 . 14 1 1 A 123 123 GLN CA C 123 53.570 54.352 -0.782 1 1 1263 . 14 1 1 A 123 123 GLN CB C 123 32.290 32.745 -0.455 1 1 1264 . 14 1 1 A 123 123 GLN N N 123 119.810 124.606 -4.796 1 1 1266 . 14 1 1 A 124 124 THR H H 124 9.036 8.237 0.799 1 1 1267 . 14 1 1 A 124 124 THR HA H 124 4.208 4.476 -0.268 1 1 1272 . 14 1 1 A 124 124 THR C C 124 175.300 175.606 -0.306 1 1 1273 . 14 1 1 A 124 124 THR CA C 124 65.510 63.717 1.793 1 1 1274 . 14 1 1 A 124 124 THR CB C 124 69.560 69.010 0.550 1 1 1275 . 14 1 1 A 124 124 THR N N 124 119.570 117.079 2.491 1 1 1276 . 14 1 1 A 125 125 GLY H H 125 9.921 9.802 0.119 1 1 1277 . 14 1 1 A 125 125 GLY HA2 H 125 4.552 4.032 0.520 1 1 1278 . 14 1 1 A 125 125 GLY HA3 H 125 3.480 4.035 -0.555 1 1 1279 . 14 1 1 A 125 125 GLY C C 125 174.650 173.888 0.762 1 1 1280 . 14 1 1 A 125 125 GLY CA C 125 44.710 45.054 -0.344 1 1 1281 . 14 1 1 A 125 125 GLY N N 125 117.920 116.855 1.065 1 1 1282 . 14 1 1 A 126 126 ASP H H 126 8.638 7.721 0.917 1 1 1283 . 14 1 1 A 126 126 ASP HA H 126 4.876 4.946 -0.070 1 1 1286 . 14 1 1 A 126 126 ASP C C 126 174.650 175.476 -0.826 1 1 1287 . 14 1 1 A 126 126 ASP CA C 126 56.140 53.393 2.747 1 1 1288 . 14 1 1 A 126 126 ASP CB C 126 41.690 42.255 -0.565 1 1 1289 . 14 1 1 A 126 126 ASP N N 126 123.190 122.135 1.055 1 1 1290 . 14 1 1 A 127 127 GLU H H 127 8.316 8.697 -0.381 1 1 1291 . 14 1 1 A 127 127 GLU HA H 127 5.341 5.346 -0.005 1 1 1296 . 14 1 1 A 127 127 GLU C C 127 175.990 175.211 0.779 1 1 1297 . 14 1 1 A 127 127 GLU CA C 127 54.440 54.900 -0.460 1 1 1298 . 14 1 1 A 127 127 GLU CB C 127 32.790 33.154 -0.364 1 1 1299 . 14 1 1 A 127 127 GLU N N 127 118.480 123.395 -4.915 1 1 1300 . 14 1 1 A 128 128 ILE H H 128 9.910 9.267 0.643 1 1 1301 . 14 1 1 A 128 128 ILE HA H 128 5.334 4.933 0.401 1 1 1311 . 14 1 1 A 128 128 ILE C C 128 174.700 174.327 0.373 1 1 1312 . 14 1 1 A 128 128 ILE CA C 128 59.470 60.407 -0.937 1 1 1313 . 14 1 1 A 128 128 ILE CB C 128 40.600 39.994 0.606 1 1 1314 . 14 1 1 A 128 128 ILE N N 128 128.810 124.610 4.200 1 1 1315 . 14 1 1 A 129 129 GLN H H 129 9.502 9.499 0.003 1 1 1316 . 14 1 1 A 129 129 GLN HA H 129 5.406 5.155 0.251 1 1 1323 . 14 1 1 A 129 129 GLN C C 129 174.950 174.586 0.364 1 1 1324 . 14 1 1 A 129 129 GLN CA C 129 54.800 54.425 0.375 1 1 1325 . 14 1 1 A 129 129 GLN CB C 129 30.690 31.007 -0.317 1 1 1326 . 14 1 1 A 129 129 GLN N N 129 129.270 127.927 1.343 1 1 1328 . 14 1 1 A 130 130 ILE H H 130 8.498 8.793 -0.295 1 1 1329 . 14 1 1 A 130 130 ILE HA H 130 4.116 4.620 -0.504 1 1 1339 . 14 1 1 A 130 130 ILE C C 130 174.860 176.421 -1.561 1 1 1340 . 14 1 1 A 130 130 ILE CA C 130 60.740 60.231 0.509 1 1 1341 . 14 1 1 A 130 130 ILE CB C 130 41.440 39.813 1.627 1 1 1342 . 14 1 1 A 130 130 ILE N N 130 129.070 127.815 1.255 1 1 1343 . 14 1 1 A 131 131 GLY H H 131 9.924 9.039 0.885 1 1 1344 . 14 1 1 A 131 131 GLY HA2 H 131 3.768 3.879 -0.111 1 1 1345 . 14 1 1 A 131 131 GLY HA3 H 131 3.337 3.994 -0.657 1 1 1346 . 14 1 1 A 131 131 GLY C C 131 174.590 174.642 -0.052 1 1 1347 . 14 1 1 A 131 131 GLY CA C 131 46.700 47.441 -0.741 1 1 1348 . 14 1 1 A 131 131 GLY N N 131 116.470 114.793 1.677 1 1 1349 . 14 1 1 A 132 132 LYS H H 132 7.141 8.154 -1.013 1 1 1350 . 14 1 1 A 132 132 LYS HA H 132 3.750 4.600 -0.850 1 1 1357 . 14 1 1 A 132 132 LYS C C 132 175.820 175.630 0.190 1 1 1358 . 14 1 1 A 132 132 LYS CA C 132 57.550 55.834 1.716 1 1 1359 . 14 1 1 A 132 132 LYS CB C 132 33.300 33.845 -0.545 1 1 1360 . 14 1 1 A 132 132 LYS N N 132 122.960 123.918 -0.958 1 1 1361 . 14 1 1 A 133 133 PHE H H 133 8.360 7.546 0.814 1 1 1362 . 14 1 1 A 133 133 PHE HA H 133 4.601 5.416 -0.815 1 1 1370 . 14 1 1 A 133 133 PHE C C 133 174.910 173.267 1.643 1 1 1371 . 14 1 1 A 133 133 PHE CA C 133 58.600 55.308 3.292 1 1 1372 . 14 1 1 A 133 133 PHE CB C 133 40.510 42.800 -2.290 1 1 1373 . 14 1 1 A 133 133 PHE N N 133 118.170 116.232 1.938 1 1 1374 . 14 1 1 A 134 134 ARG H H 134 8.698 9.008 -0.310 1 1 1375 . 14 1 1 A 134 134 ARG HA H 134 5.212 5.358 -0.146 1 1 1383 . 14 1 1 A 134 134 ARG C C 134 175.150 175.005 0.145 1 1 1384 . 14 1 1 A 134 134 ARG CA C 134 55.060 54.751 0.309 1 1 1385 . 14 1 1 A 134 134 ARG CB C 134 33.550 33.539 0.011 1 1 1386 . 14 1 1 A 134 134 ARG N N 134 120.770 118.965 1.805 1 1 1388 . 14 1 1 A 135 135 LEU H H 135 9.904 9.588 0.316 1 1 1389 . 14 1 1 A 135 135 LEU HA H 135 5.544 5.273 0.271 1 1 1399 . 14 1 1 A 135 135 LEU C C 135 175.260 175.726 -0.466 1 1 1400 . 14 1 1 A 135 135 LEU CA C 135 53.930 53.591 0.339 1 1 1401 . 14 1 1 A 135 135 LEU CB C 135 45.550 44.865 0.685 1 1 1402 . 14 1 1 A 135 135 LEU N N 135 127.130 124.556 2.574 1 1 1403 . 14 1 1 A 136 136 VAL H H 136 9.350 9.588 -0.238 1 1 1404 . 14 1 1 A 136 136 VAL HA H 136 5.226 4.760 0.466 1 1 1412 . 14 1 1 A 136 136 VAL C C 136 174.050 174.581 -0.531 1 1 1413 . 14 1 1 A 136 136 VAL CA C 136 60.520 61.107 -0.587 1 1 1414 . 14 1 1 A 136 136 VAL CB C 136 34.890 33.396 1.494 1 1 1415 . 14 1 1 A 136 136 VAL N N 136 121.300 122.841 -1.541 1 1 1416 . 14 1 1 A 137 137 PHE H H 137 8.492 9.258 -0.766 1 1 1417 . 14 1 1 A 137 137 PHE HA H 137 5.007 4.837 0.170 1 1 1424 . 14 1 1 A 137 137 PHE C C 137 173.340 173.704 -0.364 1 1 1425 . 14 1 1 A 137 137 PHE CA C 137 57.010 56.479 0.531 1 1 1426 . 14 1 1 A 137 137 PHE CB C 137 41.770 40.072 1.698 1 1 1427 . 14 1 1 A 137 137 PHE N N 137 127.550 128.705 -1.155 1 1 1428 . 14 1 1 A 138 138 LEU H H 138 8.535 9.069 -0.534 1 1 1429 . 14 1 1 A 138 138 LEU HA H 138 4.345 4.991 -0.646 1 1 1439 . 14 1 1 A 138 138 LEU C C 138 173.390 175.785 -2.395 1 1 1440 . 14 1 1 A 138 138 LEU CA C 138 53.680 53.212 0.468 1 1 1441 . 14 1 1 A 138 138 LEU CB C 138 45.210 44.841 0.369 1 1 1442 . 14 1 1 A 138 138 LEU N N 138 128.590 128.091 0.499 1 1 1443 . 14 1 1 A 139 139 ALA H H 139 7.502 8.475 -0.973 1 1 1444 . 14 1 1 A 139 139 ALA HA H 139 3.952 4.162 -0.210 1 1 1448 . 14 1 1 A 139 139 ALA C C 139 178.010 177.697 0.313 1 1 1449 . 14 1 1 A 139 139 ALA CA C 139 51.650 51.791 -0.141 1 1 1450 . 14 1 1 A 139 139 ALA CB C 139 20.700 19.128 1.572 1 1 1451 . 14 1 1 A 139 139 ALA N N 139 123.250 125.951 -2.701 1 1 1452 . 14 1 1 A 140 140 GLY H H 140 7.968 8.243 -0.275 1 1 1453 . 14 1 1 A 140 140 GLY HA2 H 140 4.202 3.898 0.304 1 1 1454 . 14 1 1 A 140 140 GLY HA3 H 140 3.595 3.932 -0.337 1 1 1455 . 14 1 1 A 140 140 GLY C C 140 171.240 173.328 -2.088 1 1 1456 . 14 1 1 A 140 140 GLY CA C 140 44.710 45.289 -0.579 1 1 1457 . 14 1 1 A 140 140 GLY N N 140 108.040 108.361 -0.321 1 1 1458 . 14 1 1 A 141 141 PRO HA H 141 4.460 4.518 -0.058 1 1 1463 . 14 1 1 A 141 141 PRO C C 141 176.150 176.620 -0.470 1 1 1464 . 14 1 1 A 141 141 PRO CA C 141 63.230 62.897 0.333 1 1 1465 . 14 1 1 A 141 141 PRO CB C 141 32.370 32.456 -0.086 1 1 1466 . 14 1 1 A 142 142 ALA H H 142 8.496 8.467 0.029 1 1 1467 . 14 1 1 A 142 142 ALA HA H 142 4.363 4.346 0.017 1 1 1471 . 14 1 1 A 142 142 ALA C C 142 177.320 176.933 0.387 1 1 1472 . 14 1 1 A 142 142 ALA CA C 142 52.740 51.945 0.795 1 1 1473 . 14 1 1 A 142 142 ALA CB C 142 19.780 17.955 1.825 1 1 1474 . 14 1 1 A 142 142 ALA N N 142 124.080 123.411 0.669 1 1 4 . 15 1 1 A 2 2 SER H H 2 8.404 8.122 0.282 1 1 5 . 15 1 1 A 2 2 SER HA H 2 4.430 4.640 -0.210 1 1 8 . 15 1 1 A 2 2 SER C C 2 174.220 174.714 -0.494 1 1 9 . 15 1 1 A 2 2 SER CA C 2 58.650 57.212 1.438 1 1 10 . 15 1 1 A 2 2 SER CB C 2 64.280 64.163 0.117 1 1 11 . 15 1 1 A 2 2 SER N N 2 116.880 110.434 6.446 1 1 12 . 15 1 1 A 3 3 ASP H H 3 8.314 8.144 0.170 1 1 13 . 15 1 1 A 3 3 ASP HA H 3 4.594 4.774 -0.180 1 1 16 . 15 1 1 A 3 3 ASP C C 3 176.070 175.838 0.232 1 1 17 . 15 1 1 A 3 3 ASP CA C 3 54.580 53.923 0.657 1 1 18 . 15 1 1 A 3 3 ASP CB C 3 41.530 41.235 0.295 1 1 19 . 15 1 1 A 3 3 ASP N N 3 122.210 120.092 2.118 1 1 20 . 15 1 1 A 4 4 ASN H H 4 8.326 7.553 0.773 1 1 21 . 15 1 1 A 4 4 ASN HA H 4 4.748 4.720 0.028 1 1 24 . 15 1 1 A 4 4 ASN C C 4 175.130 175.200 -0.070 1 1 25 . 15 1 1 A 4 4 ASN CA C 4 53.430 53.320 0.110 1 1 26 . 15 1 1 A 4 4 ASN CB C 4 38.920 39.030 -0.110 1 1 27 . 15 1 1 A 4 4 ASN N N 4 118.670 119.174 -0.504 1 1 28 . 15 1 1 A 5 5 ASN H H 5 8.467 8.607 -0.140 1 1 29 . 15 1 1 A 5 5 ASN HA H 5 4.702 4.591 0.111 1 1 32 . 15 1 1 A 5 5 ASN C C 5 175.700 175.938 -0.238 1 1 33 . 15 1 1 A 5 5 ASN CA C 5 53.610 53.861 -0.251 1 1 34 . 15 1 1 A 5 5 ASN CB C 5 39.090 38.317 0.773 1 1 35 . 15 1 1 A 5 5 ASN N N 5 119.070 120.471 -1.401 1 1 36 . 15 1 1 A 6 6 GLY H H 6 8.333 8.875 -0.542 1 1 37 . 15 1 1 A 6 6 GLY HA2 H 6 3.960 3.853 0.107 1 1 38 . 15 1 1 A 6 6 GLY HA3 H 6 3.960 3.855 0.105 1 1 39 . 15 1 1 A 6 6 GLY C C 6 174.050 173.200 0.850 1 1 40 . 15 1 1 A 6 6 GLY CA C 6 45.390 47.503 -2.113 1 1 41 . 15 1 1 A 6 6 GLY N N 6 109.000 112.140 -3.140 1 1 42 . 15 1 1 A 7 7 THR H H 7 8.076 8.820 -0.744 1 1 43 . 15 1 1 A 7 7 THR HA H 7 4.591 4.603 -0.012 1 1 48 . 15 1 1 A 7 7 THR C C 7 172.840 173.090 -0.250 1 1 49 . 15 1 1 A 7 7 THR CA C 7 60.050 59.323 0.727 1 1 50 . 15 1 1 A 7 7 THR N N 7 116.910 117.991 -1.081 1 1 51 . 15 1 1 A 8 8 PRO HA H 8 4.414 4.501 -0.087 1 1 54 . 15 1 1 A 8 8 PRO C C 8 176.690 175.783 0.907 1 1 55 . 15 1 1 A 8 8 PRO CA C 8 63.090 63.010 0.080 1 1 56 . 15 1 1 A 8 8 PRO CB C 8 32.290 32.142 0.148 1 1 57 . 15 1 1 A 9 9 GLU H H 9 8.467 8.440 0.027 1 1 58 . 15 1 1 A 9 9 GLU HA H 9 4.527 4.852 -0.325 1 1 63 . 15 1 1 A 9 9 GLU C C 9 174.680 174.218 0.462 1 1 64 . 15 1 1 A 9 9 GLU CA C 9 54.550 52.309 2.241 1 1 65 . 15 1 1 A 9 9 GLU N N 9 122.910 121.313 1.597 1 1 66 . 15 1 1 A 10 10 PRO HA H 10 4.371 4.663 -0.292 1 1 71 . 15 1 1 A 10 10 PRO C C 10 176.820 176.057 0.763 1 1 72 . 15 1 1 A 10 10 PRO CA C 10 63.300 62.966 0.334 1 1 73 . 15 1 1 A 10 10 PRO CB C 10 32.290 31.719 0.571 1 1 74 . 15 1 1 A 11 11 GLN H H 11 8.543 8.644 -0.101 1 1 75 . 15 1 1 A 11 11 GLN HA H 11 4.334 4.896 -0.562 1 1 82 . 15 1 1 A 11 11 GLN C C 11 176.010 174.446 1.564 1 1 83 . 15 1 1 A 11 11 GLN CA C 11 55.710 54.250 1.460 1 1 84 . 15 1 1 A 11 11 GLN CB C 11 29.520 33.438 -3.918 1 1 85 . 15 1 1 A 11 11 GLN N N 11 121.100 123.845 -2.745 1 1 87 . 15 1 1 A 12 12 VAL H H 12 8.201 8.430 -0.229 1 1 88 . 15 1 1 A 12 12 VAL HA H 12 4.144 4.670 -0.526 1 1 96 . 15 1 1 A 12 12 VAL C C 12 175.940 174.715 1.225 1 1 97 . 15 1 1 A 12 12 VAL CA C 12 62.110 61.644 0.466 1 1 98 . 15 1 1 A 12 12 VAL CB C 12 32.800 32.674 0.126 1 1 99 . 15 1 1 A 12 12 VAL N N 12 122.070 121.280 0.790 1 1 100 . 15 1 1 A 13 13 GLU H H 13 8.593 9.140 -0.547 1 1 101 . 15 1 1 A 13 13 GLU HA H 13 4.329 5.180 -0.851 1 1 106 . 15 1 1 A 13 13 GLU C C 13 176.720 174.689 2.031 1 1 107 . 15 1 1 A 13 13 GLU CA C 13 56.830 54.498 2.332 1 1 108 . 15 1 1 A 13 13 GLU CB C 13 30.860 33.590 -2.730 1 1 109 . 15 1 1 A 13 13 GLU N N 13 124.660 128.773 -4.113 1 1 138 . 15 1 1 A 17 17 VAL H H 17 8.458 8.741 -0.283 1 1 139 . 15 1 1 A 17 17 VAL HA H 17 4.183 5.157 -0.974 1 1 147 . 15 1 1 A 17 17 VAL C C 17 175.950 175.673 0.277 1 1 148 . 15 1 1 A 17 17 VAL CA C 17 63.780 62.550 1.230 1 1 149 . 15 1 1 A 17 17 VAL CB C 17 32.460 31.602 0.858 1 1 150 . 15 1 1 A 17 17 VAL N N 17 124.860 126.283 -1.423 1 1 151 . 15 1 1 A 18 18 PHE H H 18 8.579 8.612 -0.033 1 1 152 . 15 1 1 A 18 18 PHE HA H 18 4.650 5.708 -1.058 1 1 160 . 15 1 1 A 18 18 PHE C C 18 173.450 173.149 0.301 1 1 161 . 15 1 1 A 18 18 PHE CA C 18 57.480 55.052 2.428 1 1 162 . 15 1 1 A 18 18 PHE CB C 18 41.950 42.389 -0.439 1 1 163 . 15 1 1 A 18 18 PHE N N 18 127.160 123.729 3.431 1 1 164 . 15 1 1 A 19 19 ARG H H 19 7.920 8.984 -1.064 1 1 165 . 15 1 1 A 19 19 ARG HA H 19 4.196 4.649 -0.453 1 1 170 . 15 1 1 A 19 19 ARG C C 19 174.930 175.887 -0.957 1 1 171 . 15 1 1 A 19 19 ARG CA C 19 54.800 55.941 -1.141 1 1 172 . 15 1 1 A 19 19 ARG CB C 19 30.610 30.884 -0.274 1 1 173 . 15 1 1 A 19 19 ARG N N 19 127.500 122.427 5.073 1 1 174 . 15 1 1 A 20 20 ALA H H 20 8.067 8.669 -0.602 1 1 175 . 15 1 1 A 20 20 ALA HA H 20 3.729 5.045 -1.316 1 1 179 . 15 1 1 A 20 20 ALA C C 20 177.630 176.999 0.631 1 1 180 . 15 1 1 A 20 20 ALA CA C 20 53.280 50.181 3.099 1 1 181 . 15 1 1 A 20 20 ALA CB C 20 18.860 23.560 -4.700 1 1 182 . 15 1 1 A 20 20 ALA N N 20 126.460 129.219 -2.759 1 1 183 . 15 1 1 A 21 21 ASP H H 21 8.355 9.006 -0.651 1 1 184 . 15 1 1 A 21 21 ASP HA H 21 4.350 4.624 -0.274 1 1 187 . 15 1 1 A 21 21 ASP C C 21 176.720 176.738 -0.018 1 1 188 . 15 1 1 A 21 21 ASP CA C 21 54.480 53.855 0.625 1 1 189 . 15 1 1 A 21 21 ASP CB C 21 40.350 39.982 0.368 1 1 190 . 15 1 1 A 21 21 ASP N N 21 117.850 117.687 0.163 1 1 191 . 15 1 1 A 22 22 LEU H H 22 7.705 7.859 -0.154 1 1 192 . 15 1 1 A 22 22 LEU HA H 22 4.088 4.071 0.017 1 1 202 . 15 1 1 A 22 22 LEU C C 22 177.760 178.701 -0.941 1 1 203 . 15 1 1 A 22 22 LEU CA C 22 55.780 57.228 -1.448 1 1 204 . 15 1 1 A 22 22 LEU CB C 22 41.860 41.647 0.213 1 1 205 . 15 1 1 A 22 22 LEU N N 22 121.600 119.582 2.018 1 1 206 . 15 1 1 A 23 23 LEU H H 23 7.717 7.863 -0.146 1 1 207 . 15 1 1 A 23 23 LEU HA H 23 4.166 3.932 0.234 1 1 217 . 15 1 1 A 23 23 LEU C C 23 177.840 178.660 -0.820 1 1 218 . 15 1 1 A 23 23 LEU CA C 23 55.960 58.341 -2.381 1 1 219 . 15 1 1 A 23 23 LEU CB C 23 41.950 41.601 0.349 1 1 220 . 15 1 1 A 23 23 LEU N N 23 120.360 121.603 -1.243 1 1 221 . 15 1 1 A 24 24 LYS H H 24 7.933 7.679 0.254 1 1 222 . 15 1 1 A 24 24 LYS HA H 24 4.174 4.069 0.105 1 1 229 . 15 1 1 A 24 24 LYS C C 24 177.190 179.626 -2.436 1 1 230 . 15 1 1 A 24 24 LYS CA C 24 57.050 59.535 -2.485 1 1 231 . 15 1 1 A 24 24 LYS CB C 24 32.880 31.930 0.950 1 1 232 . 15 1 1 A 24 24 LYS N N 24 121.120 118.679 2.441 1 1 233 . 15 1 1 A 25 25 GLU H H 25 8.160 7.870 0.290 1 1 234 . 15 1 1 A 25 25 GLU HA H 25 4.199 4.291 -0.092 1 1 239 . 15 1 1 A 25 25 GLU C C 25 176.900 179.589 -2.689 1 1 240 . 15 1 1 A 25 25 GLU CA C 25 57.010 59.119 -2.109 1 1 241 . 15 1 1 A 25 25 GLU CB C 25 30.280 29.684 0.596 1 1 242 . 15 1 1 A 25 25 GLU N N 25 121.550 120.070 1.480 1 1 243 . 15 1 1 A 26 26 MET H H 26 8.270 7.934 0.336 1 1 244 . 15 1 1 A 26 26 MET HA H 26 4.360 4.153 0.207 1 1 252 . 15 1 1 A 26 26 MET C C 26 176.440 177.717 -1.277 1 1 253 . 15 1 1 A 26 26 MET CA C 26 56.180 57.463 -1.283 1 1 254 . 15 1 1 A 26 26 MET CB C 26 33.050 31.994 1.056 1 1 255 . 15 1 1 A 26 26 MET N N 26 120.730 119.137 1.593 1 1 256 . 15 1 1 A 27 27 GLU H H 27 8.297 7.567 0.730 1 1 257 . 15 1 1 A 27 27 GLU HA H 27 4.264 4.323 -0.059 1 1 262 . 15 1 1 A 27 27 GLU C C 27 176.650 177.889 -1.239 1 1 263 . 15 1 1 A 27 27 GLU CA C 27 56.830 58.227 -1.397 1 1 264 . 15 1 1 A 27 27 GLU CB C 27 30.530 30.361 0.169 1 1 265 . 15 1 1 A 27 27 GLU N N 27 121.650 120.144 1.506 1 1 266 . 15 1 1 A 28 28 SER H H 28 8.279 8.382 -0.103 1 1 267 . 15 1 1 A 28 28 SER HA H 28 4.473 4.480 -0.007 1 1 270 . 15 1 1 A 28 28 SER C C 28 174.760 175.003 -0.243 1 1 271 . 15 1 1 A 28 28 SER CA C 28 58.460 60.653 -2.193 1 1 272 . 15 1 1 A 28 28 SER CB C 28 64.190 63.797 0.393 1 1 273 . 15 1 1 A 28 28 SER N N 28 116.610 114.905 1.705 1 1 274 . 15 1 1 A 29 29 SER H H 29 8.443 7.544 0.899 1 1 275 . 15 1 1 A 29 29 SER HA H 29 4.541 4.412 0.129 1 1 278 . 15 1 1 A 29 29 SER C C 29 174.950 175.034 -0.084 1 1 279 . 15 1 1 A 29 29 SER CA C 29 58.530 61.011 -2.481 1 1 280 . 15 1 1 A 29 29 SER CB C 29 64.190 63.685 0.505 1 1 281 . 15 1 1 A 29 29 SER N N 29 118.290 114.275 4.015 1 1 282 . 15 1 1 A 30 30 THR H H 30 8.220 7.068 1.152 1 1 283 . 15 1 1 A 30 30 THR HA H 30 4.372 4.050 0.322 1 1 288 . 15 1 1 A 30 30 THR C C 30 175.280 175.485 -0.205 1 1 289 . 15 1 1 A 30 30 THR CA C 30 62.260 64.704 -2.444 1 1 290 . 15 1 1 A 30 30 THR CB C 30 69.900 68.131 1.769 1 1 291 . 15 1 1 A 30 30 THR N N 30 115.600 115.135 0.465 1 1 292 . 15 1 1 A 31 31 GLY H H 31 8.401 8.527 -0.126 1 1 293 . 15 1 1 A 31 31 GLY HA2 H 31 4.005 3.993 0.012 1 1 294 . 15 1 1 A 31 31 GLY HA3 H 31 4.005 3.994 0.011 1 1 295 . 15 1 1 A 31 31 GLY C C 31 174.160 174.907 -0.747 1 1 296 . 15 1 1 A 31 31 GLY CA C 31 45.470 45.432 0.038 1 1 297 . 15 1 1 A 31 31 GLY N N 31 111.270 114.723 -3.453 1 1 298 . 15 1 1 A 32 32 THR H H 32 8.034 7.140 0.894 1 1 299 . 15 1 1 A 32 32 THR HA H 32 4.319 4.199 0.120 1 1 304 . 15 1 1 A 32 32 THR C C 32 174.130 173.852 0.278 1 1 305 . 15 1 1 A 32 32 THR CA C 32 61.710 63.352 -1.642 1 1 306 . 15 1 1 A 32 32 THR CB C 32 70.150 68.643 1.507 1 1 307 . 15 1 1 A 32 32 THR N N 32 113.770 115.228 -1.458 1 1 308 . 15 1 1 A 33 33 ALA H H 33 8.410 8.564 -0.154 1 1 309 . 15 1 1 A 33 33 ALA HA H 33 4.581 4.623 -0.042 1 1 313 . 15 1 1 A 33 33 ALA C C 33 175.490 175.519 -0.029 1 1 314 . 15 1 1 A 33 33 ALA CA C 33 50.680 50.676 0.004 1 1 315 . 15 1 1 A 33 33 ALA N N 33 128.320 129.705 -1.385 1 1 316 . 15 1 1 A 34 34 PRO HA H 34 4.389 4.587 -0.198 1 1 321 . 15 1 1 A 34 34 PRO C C 34 176.650 176.573 0.077 1 1 322 . 15 1 1 A 34 34 PRO CA C 34 63.090 62.677 0.413 1 1 323 . 15 1 1 A 34 34 PRO CB C 34 32.210 32.223 -0.013 1 1 324 . 15 1 1 A 35 35 ALA H H 35 8.433 8.411 0.022 1 1 325 . 15 1 1 A 35 35 ALA HA H 35 4.275 4.516 -0.241 1 1 329 . 15 1 1 A 35 35 ALA C C 35 177.730 176.793 0.937 1 1 330 . 15 1 1 A 35 35 ALA CA C 35 52.590 51.715 0.875 1 1 331 . 15 1 1 A 35 35 ALA CB C 35 19.450 20.183 -0.733 1 1 332 . 15 1 1 A 35 35 ALA N N 35 124.330 123.690 0.640 1 1 333 . 15 1 1 A 36 36 SER H H 36 8.259 8.748 -0.489 1 1 334 . 15 1 1 A 36 36 SER HA H 36 4.474 5.505 -1.031 1 1 337 . 15 1 1 A 36 36 SER C C 36 174.860 173.225 1.635 1 1 338 . 15 1 1 A 36 36 SER CA C 36 58.130 56.583 1.547 1 1 339 . 15 1 1 A 36 36 SER CB C 36 64.190 65.126 -0.936 1 1 340 . 15 1 1 A 36 36 SER N N 36 114.560 114.482 0.078 1 1 341 . 15 1 1 A 37 37 THR H H 37 8.325 8.751 -0.426 1 1 342 . 15 1 1 A 37 37 THR HA H 37 4.281 5.112 -0.831 1 1 346 . 15 1 1 A 37 37 THR C C 37 175.110 174.466 0.644 1 1 347 . 15 1 1 A 37 37 THR CA C 37 62.260 59.871 2.389 1 1 348 . 15 1 1 A 37 37 THR CB C 37 70.150 71.874 -1.724 1 1 349 . 15 1 1 A 37 37 THR N N 37 115.300 116.854 -1.554 1 1 350 . 15 1 1 A 38 38 GLY H H 38 8.511 8.685 -0.174 1 1 351 . 15 1 1 A 38 38 GLY HA2 H 38 3.975 3.960 0.015 1 1 352 . 15 1 1 A 38 38 GLY HA3 H 38 3.809 3.963 -0.154 1 1 353 . 15 1 1 A 38 38 GLY C C 38 174.470 174.613 -0.143 1 1 354 . 15 1 1 A 38 38 GLY CA C 38 45.470 45.395 0.075 1 1 355 . 15 1 1 A 38 38 GLY N N 38 110.440 109.878 0.562 1 1 356 . 15 1 1 A 39 39 ALA H H 39 8.245 7.911 0.334 1 1 357 . 15 1 1 A 39 39 ALA HA H 39 4.164 4.406 -0.242 1 1 361 . 15 1 1 A 39 39 ALA C C 39 177.590 177.683 -0.093 1 1 362 . 15 1 1 A 39 39 ALA CA C 39 52.560 52.114 0.446 1 1 363 . 15 1 1 A 39 39 ALA CB C 39 19.360 18.842 0.518 1 1 364 . 15 1 1 A 39 39 ALA N N 39 124.080 120.783 3.297 1 1 365 . 15 1 1 A 40 40 GLU H H 40 8.721 8.124 0.597 1 1 366 . 15 1 1 A 40 40 GLU HA H 40 4.083 4.282 -0.199 1 1 371 . 15 1 1 A 40 40 GLU C C 40 176.320 177.579 -1.259 1 1 372 . 15 1 1 A 40 40 GLU CA C 40 57.910 58.177 -0.267 1 1 373 . 15 1 1 A 40 40 GLU CB C 40 29.520 29.350 0.170 1 1 374 . 15 1 1 A 40 40 GLU N N 40 118.270 118.585 -0.315 1 1 375 . 15 1 1 A 41 41 ASN H H 41 8.226 7.827 0.399 1 1 376 . 15 1 1 A 41 41 ASN HA H 41 4.716 4.891 -0.175 1 1 381 . 15 1 1 A 41 41 ASN C C 41 174.800 175.046 -0.246 1 1 382 . 15 1 1 A 41 41 ASN CA C 41 52.880 53.240 -0.360 1 1 383 . 15 1 1 A 41 41 ASN CB C 41 38.840 39.419 -0.579 1 1 384 . 15 1 1 A 41 41 ASN N N 41 117.620 117.478 0.142 1 1 386 . 15 1 1 A 42 42 LEU H H 42 7.629 8.056 -0.427 1 1 387 . 15 1 1 A 42 42 LEU HA H 42 4.418 3.956 0.462 1 1 397 . 15 1 1 A 42 42 LEU C C 42 174.610 177.152 -2.542 1 1 398 . 15 1 1 A 42 42 LEU CA C 42 53.170 55.334 -2.164 1 1 399 . 15 1 1 A 42 42 LEU N N 42 123.010 118.537 4.473 1 1 400 . 15 1 1 A 43 43 PRO HA H 43 4.366 4.272 0.094 1 1 407 . 15 1 1 A 43 43 PRO C C 43 177.050 178.158 -1.108 1 1 408 . 15 1 1 A 43 43 PRO CA C 43 62.260 66.279 -4.019 1 1 409 . 15 1 1 A 43 43 PRO CB C 43 32.380 31.495 0.885 1 1 410 . 15 1 1 A 44 44 ALA H H 44 8.552 7.601 0.951 1 1 411 . 15 1 1 A 44 44 ALA HA H 44 4.223 4.280 -0.057 1 1 415 . 15 1 1 A 44 44 ALA C C 44 179.500 177.798 1.702 1 1 416 . 15 1 1 A 44 44 ALA CA C 44 53.250 51.875 1.375 1 1 417 . 15 1 1 A 44 44 ALA CB C 44 18.190 19.447 -1.257 1 1 418 . 15 1 1 A 44 44 ALA N N 44 125.070 118.185 6.885 1 1 419 . 15 1 1 A 45 45 GLY H H 45 8.897 8.579 0.318 1 1 420 . 15 1 1 A 45 45 GLY HA2 H 45 4.214 3.959 0.255 1 1 421 . 15 1 1 A 45 45 GLY HA3 H 45 3.833 4.018 -0.185 1 1 422 . 15 1 1 A 45 45 GLY C C 45 173.720 173.588 0.132 1 1 423 . 15 1 1 A 45 45 GLY CA C 45 45.790 45.992 -0.202 1 1 424 . 15 1 1 A 45 45 GLY N N 45 110.600 108.795 1.805 1 1 425 . 15 1 1 A 46 46 SER H H 46 7.690 7.929 -0.239 1 1 426 . 15 1 1 A 46 46 SER HA H 46 5.338 5.220 0.118 1 1 429 . 15 1 1 A 46 46 SER C C 46 172.990 172.919 0.071 1 1 430 . 15 1 1 A 46 46 SER CA C 46 57.810 57.746 0.064 1 1 431 . 15 1 1 A 46 46 SER CB C 46 66.960 66.310 0.650 1 1 432 . 15 1 1 A 46 46 SER N N 46 114.180 116.560 -2.380 1 1 433 . 15 1 1 A 47 47 ALA H H 47 8.435 8.644 -0.209 1 1 434 . 15 1 1 A 47 47 ALA HA H 47 4.338 4.914 -0.576 1 1 438 . 15 1 1 A 47 47 ALA C C 47 173.840 175.720 -1.880 1 1 439 . 15 1 1 A 47 47 ALA CA C 47 51.690 50.943 0.747 1 1 440 . 15 1 1 A 47 47 ALA CB C 47 24.570 23.118 1.452 1 1 441 . 15 1 1 A 47 47 ALA N N 47 120.900 123.851 -2.951 1 1 442 . 15 1 1 A 48 48 LEU H H 48 8.673 8.584 0.089 1 1 443 . 15 1 1 A 48 48 LEU HA H 48 5.021 5.305 -0.284 1 1 453 . 15 1 1 A 48 48 LEU C C 48 174.680 175.209 -0.529 1 1 454 . 15 1 1 A 48 48 LEU CA C 48 53.350 52.858 0.492 1 1 455 . 15 1 1 A 48 48 LEU CB C 48 48.150 46.350 1.800 1 1 456 . 15 1 1 A 48 48 LEU N N 48 120.170 116.178 3.992 1 1 457 . 15 1 1 A 49 49 LEU H H 49 8.686 9.164 -0.478 1 1 458 . 15 1 1 A 49 49 LEU HA H 49 5.403 5.579 -0.176 1 1 468 . 15 1 1 A 49 49 LEU C C 49 176.170 175.024 1.146 1 1 469 . 15 1 1 A 49 49 LEU CA C 49 52.810 53.031 -0.221 1 1 470 . 15 1 1 A 49 49 LEU CB C 49 46.310 44.965 1.345 1 1 471 . 15 1 1 A 49 49 LEU N N 49 120.170 118.674 1.496 1 1 472 . 15 1 1 A 50 50 VAL H H 50 8.874 9.391 -0.517 1 1 473 . 15 1 1 A 50 50 VAL HA H 50 4.971 5.090 -0.119 1 1 481 . 15 1 1 A 50 50 VAL C C 50 176.740 174.290 2.450 1 1 482 . 15 1 1 A 50 50 VAL CA C 50 59.940 59.949 -0.009 1 1 483 . 15 1 1 A 50 50 VAL CB C 50 34.970 34.200 0.770 1 1 484 . 15 1 1 A 50 50 VAL N N 50 120.580 122.038 -1.458 1 1 485 . 15 1 1 A 51 51 VAL H H 51 8.984 9.284 -0.300 1 1 486 . 15 1 1 A 51 51 VAL HA H 51 4.155 4.127 0.028 1 1 494 . 15 1 1 A 51 51 VAL C C 51 176.050 175.823 0.227 1 1 495 . 15 1 1 A 51 51 VAL CA C 51 64.280 63.008 1.272 1 1 496 . 15 1 1 A 51 51 VAL CB C 51 31.280 31.525 -0.245 1 1 497 . 15 1 1 A 51 51 VAL N N 51 125.710 128.310 -2.600 1 1 498 . 15 1 1 A 52 52 LYS H H 52 9.444 9.200 0.244 1 1 499 . 15 1 1 A 52 52 LYS HA H 52 4.450 4.454 -0.004 1 1 506 . 15 1 1 A 52 52 LYS C C 52 176.150 176.809 -0.659 1 1 507 . 15 1 1 A 52 52 LYS CA C 52 57.050 56.986 0.064 1 1 508 . 15 1 1 A 52 52 LYS CB C 52 34.470 33.762 0.708 1 1 509 . 15 1 1 A 52 52 LYS N N 52 132.750 127.349 5.401 1 1 510 . 15 1 1 A 53 53 ARG H H 53 8.051 7.799 0.252 1 1 511 . 15 1 1 A 53 53 ARG HA H 53 4.685 4.978 -0.293 1 1 516 . 15 1 1 A 53 53 ARG C C 53 173.470 174.858 -1.388 1 1 517 . 15 1 1 A 53 53 ARG CA C 53 55.090 55.172 -0.082 1 1 518 . 15 1 1 A 53 53 ARG CB C 53 34.300 34.369 -0.069 1 1 519 . 15 1 1 A 53 53 ARG N N 53 117.320 119.182 -1.862 1 1 520 . 15 1 1 A 54 54 GLY H H 54 8.377 8.389 -0.012 1 1 521 . 15 1 1 A 54 54 GLY HA2 H 54 4.215 3.862 0.353 1 1 522 . 15 1 1 A 54 54 GLY HA3 H 54 3.503 4.035 -0.532 1 1 523 . 15 1 1 A 54 54 GLY C C 54 171.870 174.167 -2.297 1 1 524 . 15 1 1 A 54 54 GLY CA C 54 43.770 44.393 -0.623 1 1 525 . 15 1 1 A 54 54 GLY N N 54 110.960 112.553 -1.593 1 1 526 . 15 1 1 A 55 55 PRO HA H 55 4.255 4.305 -0.050 1 1 531 . 15 1 1 A 55 55 PRO C C 55 175.940 177.424 -1.484 1 1 532 . 15 1 1 A 55 55 PRO CA C 55 64.390 64.434 -0.044 1 1 533 . 15 1 1 A 55 55 PRO CB C 55 31.360 32.000 -0.640 1 1 534 . 15 1 1 A 56 56 ASN H H 56 8.202 8.331 -0.129 1 1 535 . 15 1 1 A 56 56 ASN HA H 56 4.685 4.782 -0.097 1 1 540 . 15 1 1 A 56 56 ASN C C 56 174.410 175.439 -1.029 1 1 541 . 15 1 1 A 56 56 ASN CA C 56 52.120 52.422 -0.302 1 1 542 . 15 1 1 A 56 56 ASN CB C 56 37.070 37.754 -0.684 1 1 543 . 15 1 1 A 56 56 ASN N N 56 114.760 113.629 1.131 1 1 545 . 15 1 1 A 57 57 ALA H H 57 7.283 7.203 0.080 1 1 546 . 15 1 1 A 57 57 ALA HA H 57 3.618 4.109 -0.491 1 1 550 . 15 1 1 A 57 57 ALA C C 57 178.090 178.422 -0.332 1 1 551 . 15 1 1 A 57 57 ALA CA C 57 54.480 53.618 0.862 1 1 552 . 15 1 1 A 57 57 ALA CB C 57 17.760 18.931 -1.171 1 1 553 . 15 1 1 A 57 57 ALA N N 57 120.380 124.060 -3.680 1 1 554 . 15 1 1 A 58 58 GLY H H 58 9.052 9.350 -0.298 1 1 555 . 15 1 1 A 58 58 GLY HA2 H 58 4.449 4.005 0.444 1 1 556 . 15 1 1 A 58 58 GLY HA3 H 58 3.415 4.007 -0.592 1 1 557 . 15 1 1 A 58 58 GLY C C 58 174.610 174.503 0.107 1 1 558 . 15 1 1 A 58 58 GLY CA C 58 44.530 44.982 -0.452 1 1 559 . 15 1 1 A 58 58 GLY N N 58 112.180 110.499 1.681 1 1 560 . 15 1 1 A 59 59 ALA H H 59 8.171 7.425 0.746 1 1 561 . 15 1 1 A 59 59 ALA HA H 59 4.081 4.331 -0.250 1 1 565 . 15 1 1 A 59 59 ALA C C 59 175.220 176.595 -1.375 1 1 566 . 15 1 1 A 59 59 ALA CA C 59 53.170 51.722 1.448 1 1 567 . 15 1 1 A 59 59 ALA CB C 59 19.360 20.009 -0.649 1 1 568 . 15 1 1 A 59 59 ALA N N 59 124.650 123.744 0.906 1 1 569 . 15 1 1 A 60 60 ARG H H 60 7.751 8.867 -1.116 1 1 570 . 15 1 1 A 60 60 ARG HA H 60 5.105 5.215 -0.110 1 1 575 . 15 1 1 A 60 60 ARG C C 60 175.320 174.730 0.590 1 1 576 . 15 1 1 A 60 60 ARG CA C 60 54.150 54.230 -0.080 1 1 577 . 15 1 1 A 60 60 ARG CB C 60 34.130 33.586 0.544 1 1 578 . 15 1 1 A 60 60 ARG N N 60 116.920 118.231 -1.311 1 1 579 . 15 1 1 A 61 61 PHE H H 61 9.213 9.290 -0.077 1 1 580 . 15 1 1 A 61 61 PHE HA H 61 4.788 5.124 -0.336 1 1 587 . 15 1 1 A 61 61 PHE C C 61 173.930 174.126 -0.196 1 1 588 . 15 1 1 A 61 61 PHE CA C 61 56.500 56.082 0.418 1 1 589 . 15 1 1 A 61 61 PHE CB C 61 41.860 42.176 -0.316 1 1 590 . 15 1 1 A 61 61 PHE N N 61 121.090 120.397 0.693 1 1 591 . 15 1 1 A 62 62 LEU H H 62 8.638 9.014 -0.376 1 1 592 . 15 1 1 A 62 62 LEU HA H 62 4.566 5.034 -0.468 1 1 602 . 15 1 1 A 62 62 LEU C C 62 176.570 174.679 1.891 1 1 603 . 15 1 1 A 62 62 LEU CA C 62 55.130 53.989 1.141 1 1 604 . 15 1 1 A 62 62 LEU CB C 62 43.620 44.611 -0.991 1 1 605 . 15 1 1 A 62 62 LEU N N 62 125.630 125.207 0.423 1 1 606 . 15 1 1 A 63 63 LEU H H 63 8.929 9.691 -0.762 1 1 607 . 15 1 1 A 63 63 LEU HA H 63 4.852 4.923 -0.071 1 1 617 . 15 1 1 A 63 63 LEU C C 63 175.070 176.162 -1.092 1 1 618 . 15 1 1 A 63 63 LEU CA C 63 53.170 54.100 -0.930 1 1 619 . 15 1 1 A 63 63 LEU CB C 63 42.110 42.374 -0.264 1 1 620 . 15 1 1 A 63 63 LEU N N 63 125.980 128.483 -2.503 1 1 621 . 15 1 1 A 64 64 ASP H H 64 8.601 8.703 -0.102 1 1 622 . 15 1 1 A 64 64 ASP HA H 64 4.736 4.969 -0.233 1 1 625 . 15 1 1 A 64 64 ASP C C 64 175.130 175.089 0.041 1 1 626 . 15 1 1 A 64 64 ASP CA C 64 53.640 53.287 0.353 1 1 627 . 15 1 1 A 64 64 ASP CB C 64 41.020 42.497 -1.477 1 1 628 . 15 1 1 A 64 64 ASP N N 64 120.910 127.043 -6.133 1 1 629 . 15 1 1 A 65 65 GLN H H 65 7.497 7.459 0.038 1 1 630 . 15 1 1 A 65 65 GLN HA H 65 4.856 4.794 0.062 1 1 637 . 15 1 1 A 65 65 GLN C C 65 173.550 175.393 -1.843 1 1 638 . 15 1 1 A 65 65 GLN CA C 65 52.780 53.282 -0.502 1 1 639 . 15 1 1 A 65 65 GLN N N 65 117.420 117.095 0.325 1 1 641 . 15 1 1 A 66 66 PRO HA H 66 4.190 5.101 -0.911 1 1 648 . 15 1 1 A 66 66 PRO C C 66 177.400 176.757 0.643 1 1 649 . 15 1 1 A 66 66 PRO CA C 66 66.810 64.790 2.020 1 1 650 . 15 1 1 A 66 66 PRO CB C 66 32.370 32.001 0.369 1 1 651 . 15 1 1 A 67 67 THR H H 67 7.647 7.429 0.218 1 1 652 . 15 1 1 A 67 67 THR HA H 67 4.811 5.155 -0.344 1 1 657 . 15 1 1 A 67 67 THR C C 67 173.280 173.045 0.235 1 1 658 . 15 1 1 A 67 67 THR CA C 67 62.830 61.034 1.796 1 1 659 . 15 1 1 A 67 67 THR CB C 67 71.740 72.608 -0.868 1 1 660 . 15 1 1 A 67 67 THR N N 67 109.270 111.835 -2.565 1 1 661 . 15 1 1 A 68 68 THR H H 68 8.919 9.297 -0.378 1 1 662 . 15 1 1 A 68 68 THR HA H 68 4.968 5.081 -0.113 1 1 667 . 15 1 1 A 68 68 THR C C 68 175.090 173.242 1.848 1 1 668 . 15 1 1 A 68 68 THR CA C 68 61.820 61.709 0.111 1 1 669 . 15 1 1 A 68 68 THR CB C 68 70.730 71.390 -0.660 1 1 670 . 15 1 1 A 68 68 THR N N 68 125.610 122.401 3.209 1 1 671 . 15 1 1 A 69 69 THR H H 69 10.398 8.849 1.549 1 1 672 . 15 1 1 A 69 69 THR HA H 69 4.491 4.739 -0.248 1 1 677 . 15 1 1 A 69 69 THR C C 69 173.140 174.274 -1.134 1 1 678 . 15 1 1 A 69 69 THR CA C 69 61.790 62.295 -0.505 1 1 679 . 15 1 1 A 69 69 THR CB C 69 70.820 70.105 0.715 1 1 680 . 15 1 1 A 69 69 THR N N 69 121.520 122.995 -1.475 1 1 681 . 15 1 1 A 70 70 ALA H H 70 8.722 8.970 -0.248 1 1 682 . 15 1 1 A 70 70 ALA HA H 70 5.696 5.429 0.267 1 1 686 . 15 1 1 A 70 70 ALA C C 70 175.840 176.161 -0.321 1 1 687 . 15 1 1 A 70 70 ALA CA C 70 50.030 50.467 -0.437 1 1 688 . 15 1 1 A 70 70 ALA CB C 70 22.300 22.544 -0.244 1 1 689 . 15 1 1 A 70 70 ALA N N 70 122.410 128.923 -6.513 1 1 690 . 15 1 1 A 71 71 GLY H H 71 8.430 8.301 0.129 1 1 691 . 15 1 1 A 71 71 GLY HA2 H 71 4.474 4.250 0.224 1 1 692 . 15 1 1 A 71 71 GLY HA3 H 71 3.903 4.257 -0.354 1 1 693 . 15 1 1 A 71 71 GLY C C 71 170.540 171.068 -0.528 1 1 694 . 15 1 1 A 71 71 GLY CA C 71 46.300 45.496 0.804 1 1 695 . 15 1 1 A 71 71 GLY N N 71 108.960 107.704 1.256 1 1 696 . 15 1 1 A 72 72 ARG H H 72 8.341 8.835 -0.494 1 1 697 . 15 1 1 A 72 72 ARG HA H 72 4.481 4.859 -0.378 1 1 702 . 15 1 1 A 72 72 ARG C C 72 175.720 174.776 0.944 1 1 703 . 15 1 1 A 72 72 ARG CA C 72 54.800 55.020 -0.220 1 1 704 . 15 1 1 A 72 72 ARG CB C 72 32.540 32.875 -0.335 1 1 705 . 15 1 1 A 72 72 ARG N N 72 120.930 121.305 -0.375 1 1 706 . 15 1 1 A 73 73 HIS H H 73 9.295 8.501 0.794 1 1 707 . 15 1 1 A 73 73 HIS HA H 73 4.403 5.050 -0.647 1 1 712 . 15 1 1 A 73 73 HIS C C 73 176.860 174.254 2.606 1 1 713 . 15 1 1 A 73 73 HIS CA C 73 57.050 55.686 1.364 1 1 714 . 15 1 1 A 73 73 HIS N N 73 125.290 124.013 1.277 1 1 715 . 15 1 1 A 74 74 PRO HA H 74 4.373 4.405 -0.032 1 1 722 . 15 1 1 A 74 74 PRO C C 74 177.590 177.443 0.147 1 1 723 . 15 1 1 A 74 74 PRO CA C 74 64.930 64.695 0.235 1 1 724 . 15 1 1 A 74 74 PRO CB C 74 32.030 31.744 0.286 1 1 725 . 15 1 1 A 75 75 GLU H H 75 10.575 8.587 1.988 1 1 726 . 15 1 1 A 75 75 GLU HA H 75 4.352 4.294 0.058 1 1 731 . 15 1 1 A 75 75 GLU C C 75 177.320 176.902 0.418 1 1 732 . 15 1 1 A 75 75 GLU CA C 75 56.070 57.300 -1.230 1 1 733 . 15 1 1 A 75 75 GLU CB C 75 29.010 30.225 -1.215 1 1 734 . 15 1 1 A 75 75 GLU N N 75 119.840 117.837 2.003 1 1 735 . 15 1 1 A 76 76 SER H H 76 8.236 7.599 0.637 1 1 736 . 15 1 1 A 76 76 SER HA H 76 4.100 4.487 -0.387 1 1 739 . 15 1 1 A 76 76 SER C C 76 173.120 173.996 -0.876 1 1 740 . 15 1 1 A 76 76 SER CA C 76 60.160 59.635 0.525 1 1 741 . 15 1 1 A 76 76 SER CB C 76 65.530 64.303 1.227 1 1 742 . 15 1 1 A 76 76 SER N N 76 118.860 116.115 2.745 1 1 743 . 15 1 1 A 77 77 ASP H H 77 8.541 9.177 -0.636 1 1 744 . 15 1 1 A 77 77 ASP HA H 77 4.344 4.511 -0.167 1 1 747 . 15 1 1 A 77 77 ASP C C 77 177.590 176.087 1.503 1 1 748 . 15 1 1 A 77 77 ASP CA C 77 58.380 56.430 1.950 1 1 749 . 15 1 1 A 77 77 ASP CB C 77 42.110 41.502 0.608 1 1 750 . 15 1 1 A 77 77 ASP N N 77 126.720 123.445 3.275 1 1 751 . 15 1 1 A 78 78 ILE H H 78 8.571 7.163 1.408 1 1 752 . 15 1 1 A 78 78 ILE HA H 78 3.563 4.490 -0.927 1 1 762 . 15 1 1 A 78 78 ILE C C 78 172.930 174.243 -1.313 1 1 763 . 15 1 1 A 78 78 ILE CA C 78 60.880 59.479 1.401 1 1 764 . 15 1 1 A 78 78 ILE CB C 78 37.410 39.767 -2.357 1 1 765 . 15 1 1 A 78 78 ILE N N 78 120.210 114.628 5.582 1 1 766 . 15 1 1 A 79 79 PHE H H 79 8.018 8.934 -0.916 1 1 767 . 15 1 1 A 79 79 PHE HA H 79 5.018 4.889 0.129 1 1 775 . 15 1 1 A 79 79 PHE C C 79 174.130 173.834 0.296 1 1 776 . 15 1 1 A 79 79 PHE CA C 79 55.780 56.353 -0.573 1 1 777 . 15 1 1 A 79 79 PHE CB C 79 39.170 40.478 -1.308 1 1 778 . 15 1 1 A 79 79 PHE N N 79 127.300 126.566 0.734 1 1 779 . 15 1 1 A 80 80 LEU H H 80 7.695 8.429 -0.734 1 1 780 . 15 1 1 A 80 80 LEU HA H 80 3.619 5.133 -1.514 1 1 790 . 15 1 1 A 80 80 LEU C C 80 173.720 174.756 -1.036 1 1 791 . 15 1 1 A 80 80 LEU CA C 80 52.340 53.178 -0.838 1 1 792 . 15 1 1 A 80 80 LEU CB C 80 41.770 45.136 -3.366 1 1 793 . 15 1 1 A 80 80 LEU N N 80 131.810 128.102 3.708 1 1 794 . 15 1 1 A 81 81 ASP H H 81 7.974 8.673 -0.699 1 1 795 . 15 1 1 A 81 81 ASP HA H 81 4.141 4.685 -0.544 1 1 798 . 15 1 1 A 81 81 ASP C C 81 175.130 174.587 0.543 1 1 799 . 15 1 1 A 81 81 ASP CA C 81 53.210 53.009 0.201 1 1 800 . 15 1 1 A 81 81 ASP CB C 81 39.930 42.172 -2.242 1 1 801 . 15 1 1 A 81 81 ASP N N 81 121.130 124.228 -3.098 1 1 802 . 15 1 1 A 82 82 ASP H H 82 7.583 8.607 -1.024 1 1 803 . 15 1 1 A 82 82 ASP HA H 82 4.859 4.968 -0.109 1 1 806 . 15 1 1 A 82 82 ASP C C 82 176.760 176.412 0.348 1 1 807 . 15 1 1 A 82 82 ASP CA C 82 54.980 53.098 1.882 1 1 808 . 15 1 1 A 82 82 ASP CB C 82 39.170 42.746 -3.576 1 1 809 . 15 1 1 A 82 82 ASP N N 82 121.540 126.453 -4.913 1 1 810 . 15 1 1 A 83 83 VAL H H 83 8.344 8.138 0.206 1 1 811 . 15 1 1 A 83 83 VAL HA H 83 4.012 3.748 0.264 1 1 819 . 15 1 1 A 83 83 VAL C C 83 174.860 175.690 -0.830 1 1 820 . 15 1 1 A 83 83 VAL CA C 83 65.330 64.615 0.715 1 1 821 . 15 1 1 A 83 83 VAL CB C 83 31.530 31.747 -0.217 1 1 822 . 15 1 1 A 83 83 VAL N N 83 122.260 121.369 0.891 1 1 823 . 15 1 1 A 84 84 THR H H 84 8.268 7.242 1.026 1 1 824 . 15 1 1 A 84 84 THR HA H 84 4.540 4.549 -0.009 1 1 828 . 15 1 1 A 84 84 THR C C 84 175.360 172.668 2.692 1 1 829 . 15 1 1 A 84 84 THR CA C 84 63.810 59.459 4.351 1 1 830 . 15 1 1 A 84 84 THR CB C 84 70.900 70.973 -0.073 1 1 831 . 15 1 1 A 84 84 THR N N 84 110.620 111.851 -1.231 1 1 832 . 15 1 1 A 85 85 VAL H H 85 8.579 8.656 -0.077 1 1 833 . 15 1 1 A 85 85 VAL HA H 85 4.254 4.317 -0.063 1 1 841 . 15 1 1 A 85 85 VAL C C 85 177.070 174.892 2.178 1 1 842 . 15 1 1 A 85 85 VAL CA C 85 61.930 62.013 -0.083 1 1 843 . 15 1 1 A 85 85 VAL CB C 85 32.450 31.325 1.125 1 1 844 . 15 1 1 A 85 85 VAL N N 85 126.860 122.849 4.011 1 1 845 . 15 1 1 A 86 86 SER H H 86 11.668 8.892 2.776 1 1 846 . 15 1 1 A 86 86 SER HA H 86 5.203 4.970 0.233 1 1 849 . 15 1 1 A 86 86 SER C C 86 175.470 174.210 1.260 1 1 850 . 15 1 1 A 86 86 SER CA C 86 61.600 57.401 4.199 1 1 851 . 15 1 1 A 86 86 SER CB C 86 64.270 63.722 0.548 1 1 852 . 15 1 1 A 86 86 SER N N 86 128.670 126.064 2.606 1 1 853 . 15 1 1 A 87 87 ARG H H 87 10.946 8.424 2.522 1 1 854 . 15 1 1 A 87 87 ARG HA H 87 5.179 4.104 1.075 1 1 862 . 15 1 1 A 87 87 ARG C C 87 177.110 176.286 0.824 1 1 863 . 15 1 1 A 87 87 ARG CA C 87 60.810 59.212 1.598 1 1 864 . 15 1 1 A 87 87 ARG CB C 87 29.010 29.978 -0.968 1 1 865 . 15 1 1 A 87 87 ARG N N 87 126.810 123.471 3.339 1 1 867 . 15 1 1 A 88 88 ARG H H 88 7.946 7.935 0.011 1 1 868 . 15 1 1 A 88 88 ARG HA H 88 4.459 4.726 -0.267 1 1 876 . 15 1 1 A 88 88 ARG C C 88 172.990 175.617 -2.627 1 1 877 . 15 1 1 A 88 88 ARG CA C 88 55.060 54.921 0.139 1 1 878 . 15 1 1 A 88 88 ARG CB C 88 29.770 31.803 -2.033 1 1 879 . 15 1 1 A 88 88 ARG N N 88 115.670 119.635 -3.965 1 1 881 . 15 1 1 A 89 89 HIS H H 89 7.613 9.314 -1.701 1 1 882 . 15 1 1 A 89 89 HIS HA H 89 4.437 4.579 -0.142 1 1 888 . 15 1 1 A 89 89 HIS C C 89 174.050 174.766 -0.716 1 1 889 . 15 1 1 A 89 89 HIS CA C 89 58.420 58.003 0.417 1 1 890 . 15 1 1 A 89 89 HIS CB C 89 32.620 31.915 0.705 1 1 891 . 15 1 1 A 89 89 HIS N N 89 124.000 125.238 -1.238 1 1 893 . 15 1 1 A 90 90 ALA H H 90 8.454 7.443 1.011 1 1 894 . 15 1 1 A 90 90 ALA HA H 90 5.529 4.491 1.038 1 1 898 . 15 1 1 A 90 90 ALA C C 90 176.260 175.099 1.161 1 1 899 . 15 1 1 A 90 90 ALA CA C 90 50.240 50.918 -0.678 1 1 900 . 15 1 1 A 90 90 ALA CB C 90 23.220 22.541 0.679 1 1 901 . 15 1 1 A 90 90 ALA N N 90 116.480 118.721 -2.241 1 1 902 . 15 1 1 A 91 91 GLU H H 91 9.216 9.031 0.185 1 1 903 . 15 1 1 A 91 91 GLU HA H 91 4.931 5.045 -0.114 1 1 908 . 15 1 1 A 91 91 GLU C C 91 173.910 174.417 -0.507 1 1 909 . 15 1 1 A 91 91 GLU CA C 91 54.690 54.596 0.094 1 1 910 . 15 1 1 A 91 91 GLU CB C 91 34.720 32.961 1.759 1 1 911 . 15 1 1 A 91 91 GLU N N 91 118.140 118.142 -0.002 1 1 912 . 15 1 1 A 92 92 PHE H H 92 9.330 9.521 -0.191 1 1 913 . 15 1 1 A 92 92 PHE HA H 92 5.502 5.272 0.230 1 1 921 . 15 1 1 A 92 92 PHE C C 92 176.650 175.028 1.622 1 1 922 . 15 1 1 A 92 92 PHE CA C 92 56.760 56.614 0.146 1 1 923 . 15 1 1 A 92 92 PHE CB C 92 41.690 40.937 0.753 1 1 924 . 15 1 1 A 92 92 PHE N N 92 119.490 122.013 -2.523 1 1 925 . 15 1 1 A 93 93 ARG H H 93 9.846 9.053 0.793 1 1 926 . 15 1 1 A 93 93 ARG HA H 93 5.610 5.146 0.464 1 1 934 . 15 1 1 A 93 93 ARG C C 93 175.010 175.145 -0.135 1 1 935 . 15 1 1 A 93 93 ARG CA C 93 54.580 54.929 -0.349 1 1 936 . 15 1 1 A 93 93 ARG CB C 93 34.220 32.705 1.515 1 1 937 . 15 1 1 A 93 93 ARG N N 93 127.300 122.444 4.856 1 1 939 . 15 1 1 A 94 94 ILE H H 94 8.521 9.033 -0.512 1 1 940 . 15 1 1 A 94 94 ILE HA H 94 4.410 4.988 -0.578 1 1 950 . 15 1 1 A 94 94 ILE C C 94 176.420 174.612 1.808 1 1 951 . 15 1 1 A 94 94 ILE CA C 94 61.130 60.379 0.751 1 1 952 . 15 1 1 A 94 94 ILE CB C 94 38.830 39.634 -0.804 1 1 953 . 15 1 1 A 94 94 ILE N N 94 121.680 124.469 -2.789 1 1 954 . 15 1 1 A 95 95 ASN H H 95 8.847 8.662 0.185 1 1 955 . 15 1 1 A 95 95 ASN HA H 95 4.796 5.293 -0.497 1 1 960 . 15 1 1 A 95 95 ASN C C 95 174.430 174.157 0.273 1 1 961 . 15 1 1 A 95 95 ASN CA C 95 52.560 51.334 1.226 1 1 962 . 15 1 1 A 95 95 ASN CB C 95 40.510 41.523 -1.013 1 1 963 . 15 1 1 A 95 95 ASN N N 95 127.100 124.549 2.551 1 1 965 . 15 1 1 A 96 96 GLU H H 96 9.303 9.410 -0.107 1 1 966 . 15 1 1 A 96 96 GLU HA H 96 3.768 4.034 -0.266 1 1 971 . 15 1 1 A 96 96 GLU C C 96 176.280 176.562 -0.282 1 1 972 . 15 1 1 A 96 96 GLU CA C 96 57.150 57.514 -0.364 1 1 973 . 15 1 1 A 96 96 GLU CB C 96 27.590 27.977 -0.387 1 1 974 . 15 1 1 A 96 96 GLU N N 96 125.150 120.450 4.700 1 1 975 . 15 1 1 A 97 97 GLY H H 97 7.937 8.578 -0.641 1 1 976 . 15 1 1 A 97 97 GLY HA2 H 97 4.042 3.822 0.220 1 1 977 . 15 1 1 A 97 97 GLY HA3 H 97 3.450 3.881 -0.431 1 1 978 . 15 1 1 A 97 97 GLY C C 97 172.990 173.734 -0.744 1 1 979 . 15 1 1 A 97 97 GLY CA C 97 45.390 45.344 0.046 1 1 980 . 15 1 1 A 97 97 GLY N N 97 104.330 104.471 -0.141 1 1 981 . 15 1 1 A 98 98 GLU H H 98 7.557 8.116 -0.559 1 1 982 . 15 1 1 A 98 98 GLU HA H 98 4.591 4.941 -0.350 1 1 987 . 15 1 1 A 98 98 GLU C C 98 174.530 175.561 -1.031 1 1 988 . 15 1 1 A 98 98 GLU CA C 98 54.770 54.982 -0.212 1 1 989 . 15 1 1 A 98 98 GLU CB C 98 32.290 31.990 0.300 1 1 990 . 15 1 1 A 98 98 GLU N N 98 119.350 120.274 -0.924 1 1 991 . 15 1 1 A 99 99 PHE H H 99 9.412 9.145 0.267 1 1 992 . 15 1 1 A 99 99 PHE HA H 99 5.007 5.224 -0.217 1 1 999 . 15 1 1 A 99 99 PHE C C 99 174.050 175.221 -1.171 1 1 1000 . 15 1 1 A 99 99 PHE CA C 99 57.260 56.762 0.498 1 1 1001 . 15 1 1 A 99 99 PHE CB C 99 42.110 41.428 0.682 1 1 1002 . 15 1 1 A 99 99 PHE N N 99 122.550 121.799 0.751 1 1 1003 . 15 1 1 A 100 100 GLU H H 100 9.444 9.497 -0.053 1 1 1004 . 15 1 1 A 100 100 GLU HA H 100 5.145 5.081 0.064 1 1 1009 . 15 1 1 A 100 100 GLU C C 100 175.340 174.752 0.588 1 1 1010 . 15 1 1 A 100 100 GLU CA C 100 54.080 54.608 -0.528 1 1 1011 . 15 1 1 A 100 100 GLU CB C 100 34.720 33.382 1.338 1 1 1012 . 15 1 1 A 100 100 GLU N N 100 124.080 120.630 3.450 1 1 1013 . 15 1 1 A 101 101 VAL H H 101 8.726 9.029 -0.303 1 1 1014 . 15 1 1 A 101 101 VAL HA H 101 4.900 4.474 0.426 1 1 1022 . 15 1 1 A 101 101 VAL C C 101 172.510 174.314 -1.804 1 1 1023 . 15 1 1 A 101 101 VAL CA C 101 58.710 61.008 -2.298 1 1 1024 . 15 1 1 A 101 101 VAL CB C 101 33.550 33.210 0.340 1 1 1025 . 15 1 1 A 101 101 VAL N N 101 124.500 123.332 1.168 1 1 1026 . 15 1 1 A 102 102 VAL H H 102 8.719 9.160 -0.441 1 1 1027 . 15 1 1 A 102 102 VAL HA H 102 4.578 4.564 0.014 1 1 1035 . 15 1 1 A 102 102 VAL C C 102 175.380 174.204 1.176 1 1 1036 . 15 1 1 A 102 102 VAL CA C 102 60.370 60.740 -0.370 1 1 1037 . 15 1 1 A 102 102 VAL CB C 102 36.060 34.394 1.666 1 1 1038 . 15 1 1 A 102 102 VAL N N 102 125.900 127.733 -1.833 1 1 1039 . 15 1 1 A 103 103 ASP H H 103 8.626 9.447 -0.821 1 1 1040 . 15 1 1 A 103 103 ASP HA H 103 4.856 4.501 0.355 1 1 1043 . 15 1 1 A 103 103 ASP C C 103 177.300 176.537 0.763 1 1 1044 . 15 1 1 A 103 103 ASP CA C 103 54.580 53.702 0.878 1 1 1045 . 15 1 1 A 103 103 ASP CB C 103 44.210 40.698 3.512 1 1 1046 . 15 1 1 A 103 103 ASP N N 103 127.250 127.156 0.094 1 1 1047 . 15 1 1 A 104 104 VAL H H 104 7.890 8.497 -0.607 1 1 1048 . 15 1 1 A 104 104 VAL HA H 104 4.527 4.402 0.125 1 1 1056 . 15 1 1 A 104 104 VAL C C 104 174.490 176.361 -1.871 1 1 1057 . 15 1 1 A 104 104 VAL CA C 104 60.630 61.673 -1.043 1 1 1058 . 15 1 1 A 104 104 VAL CB C 104 29.350 33.112 -3.762 1 1 1059 . 15 1 1 A 104 104 VAL N N 104 119.270 120.077 -0.807 1 1 1060 . 15 1 1 A 105 105 GLY H H 105 8.690 7.925 0.765 1 1 1061 . 15 1 1 A 105 105 GLY HA2 H 105 4.270 4.011 0.259 1 1 1062 . 15 1 1 A 105 105 GLY HA3 H 105 3.685 4.108 -0.423 1 1 1063 . 15 1 1 A 105 105 GLY C C 105 175.490 175.513 -0.023 1 1 1064 . 15 1 1 A 105 105 GLY CA C 105 45.650 45.861 -0.211 1 1 1065 . 15 1 1 A 105 105 GLY N N 105 111.790 110.115 1.675 1 1 1066 . 15 1 1 A 106 106 SER H H 106 9.218 8.136 1.082 1 1 1067 . 15 1 1 A 106 106 SER HA H 106 3.894 4.520 -0.626 1 1 1070 . 15 1 1 A 106 106 SER C C 106 174.590 175.841 -1.251 1 1 1071 . 15 1 1 A 106 106 SER CA C 106 58.600 60.755 -2.155 1 1 1072 . 15 1 1 A 106 106 SER CB C 106 61.250 62.777 -1.527 1 1 1073 . 15 1 1 A 106 106 SER N N 106 121.540 114.715 6.825 1 1 1074 . 15 1 1 A 107 107 LEU H H 107 8.018 7.735 0.283 1 1 1075 . 15 1 1 A 107 107 LEU HA H 107 4.240 4.042 0.198 1 1 1085 . 15 1 1 A 107 107 LEU C C 107 179.420 177.990 1.430 1 1 1086 . 15 1 1 A 107 107 LEU CA C 107 57.590 57.406 0.184 1 1 1087 . 15 1 1 A 107 107 LEU CB C 107 42.360 41.797 0.563 1 1 1088 . 15 1 1 A 107 107 LEU N N 107 121.520 121.595 -0.075 1 1 1089 . 15 1 1 A 108 108 ASN H H 108 8.799 8.176 0.623 1 1 1090 . 15 1 1 A 108 108 ASN HA H 108 4.986 4.747 0.239 1 1 1093 . 15 1 1 A 108 108 ASN C C 108 175.950 176.295 -0.345 1 1 1094 . 15 1 1 A 108 108 ASN CA C 108 54.440 52.928 1.512 1 1 1095 . 15 1 1 A 108 108 ASN CB C 108 41.180 39.876 1.304 1 1 1096 . 15 1 1 A 108 108 ASN N N 108 111.800 114.640 -2.840 1 1 1097 . 15 1 1 A 109 109 GLY H H 109 8.025 7.884 0.141 1 1 1098 . 15 1 1 A 109 109 GLY HA2 H 109 4.237 3.720 0.517 1 1 1099 . 15 1 1 A 109 109 GLY HA3 H 109 3.621 3.814 -0.193 1 1 1100 . 15 1 1 A 109 109 GLY C C 109 173.820 173.141 0.679 1 1 1101 . 15 1 1 A 109 109 GLY CA C 109 44.340 44.510 -0.170 1 1 1102 . 15 1 1 A 109 109 GLY N N 109 110.600 107.226 3.374 1 1 1103 . 15 1 1 A 110 110 THR H H 110 8.770 8.659 0.111 1 1 1104 . 15 1 1 A 110 110 THR HA H 110 4.797 4.487 0.310 1 1 1109 . 15 1 1 A 110 110 THR C C 110 172.570 173.368 -0.798 1 1 1110 . 15 1 1 A 110 110 THR CA C 110 64.540 62.737 1.803 1 1 1111 . 15 1 1 A 110 110 THR CB C 110 70.230 69.127 1.103 1 1 1112 . 15 1 1 A 110 110 THR N N 110 121.240 118.305 2.935 1 1 1113 . 15 1 1 A 111 111 TYR H H 111 8.272 9.010 -0.738 1 1 1114 . 15 1 1 A 111 111 TYR HA H 111 5.155 5.408 -0.253 1 1 1121 . 15 1 1 A 111 111 TYR C C 111 175.860 174.575 1.285 1 1 1122 . 15 1 1 A 111 111 TYR CA C 111 55.820 56.561 -0.741 1 1 1123 . 15 1 1 A 111 111 TYR CB C 111 41.100 41.391 -0.291 1 1 1124 . 15 1 1 A 111 111 TYR N N 111 123.680 126.198 -2.518 1 1 1125 . 15 1 1 A 112 112 VAL H H 112 9.017 9.041 -0.024 1 1 1126 . 15 1 1 A 112 112 VAL HA H 112 4.951 4.576 0.375 1 1 1134 . 15 1 1 A 112 112 VAL C C 112 176.780 176.038 0.742 1 1 1135 . 15 1 1 A 112 112 VAL CA C 112 61.130 61.177 -0.047 1 1 1136 . 15 1 1 A 112 112 VAL CB C 112 32.870 33.709 -0.839 1 1 1137 . 15 1 1 A 112 112 VAL N N 112 121.300 123.338 -2.038 1 1 1138 . 15 1 1 A 113 113 ASN H H 113 10.285 10.340 -0.055 1 1 1139 . 15 1 1 A 113 113 ASN HA H 113 4.483 4.455 0.028 1 1 1144 . 15 1 1 A 113 113 ASN C C 113 174.590 174.404 0.186 1 1 1145 . 15 1 1 A 113 113 ASN CA C 113 55.160 54.766 0.394 1 1 1146 . 15 1 1 A 113 113 ASN CB C 113 37.240 36.859 0.381 1 1 1147 . 15 1 1 A 113 113 ASN N N 113 129.510 127.474 2.036 1 1 1149 . 15 1 1 A 114 114 ARG H H 114 9.459 8.592 0.867 1 1 1150 . 15 1 1 A 114 114 ARG HA H 114 3.659 3.882 -0.223 1 1 1158 . 15 1 1 A 114 114 ARG C C 114 174.900 174.555 0.345 1 1 1159 . 15 1 1 A 114 114 ARG CA C 114 58.280 57.611 0.669 1 1 1160 . 15 1 1 A 114 114 ARG CB C 114 27.250 27.384 -0.134 1 1 1161 . 15 1 1 A 114 114 ARG N N 114 106.570 108.962 -2.392 1 1 1163 . 15 1 1 A 115 115 GLU H H 115 7.827 7.880 -0.053 1 1 1164 . 15 1 1 A 115 115 GLU HA H 115 5.153 4.840 0.313 1 1 1169 . 15 1 1 A 115 115 GLU C C 115 173.950 174.456 -0.506 1 1 1170 . 15 1 1 A 115 115 GLU CA C 115 52.990 52.855 0.135 1 1 1171 . 15 1 1 A 115 115 GLU N N 115 119.780 118.356 1.424 1 1 1172 . 15 1 1 A 116 116 PRO HA H 116 3.983 4.586 -0.603 1 1 1177 . 15 1 1 A 116 116 PRO C C 116 177.780 175.324 2.456 1 1 1178 . 15 1 1 A 116 116 PRO CA C 116 62.910 63.066 -0.156 1 1 1179 . 15 1 1 A 116 116 PRO CB C 116 31.200 31.768 -0.568 1 1 1180 . 15 1 1 A 117 117 ARG H H 117 8.414 8.344 0.070 1 1 1181 . 15 1 1 A 117 117 ARG HA H 117 4.699 4.656 0.043 1 1 1189 . 15 1 1 A 117 117 ARG C C 117 175.260 175.480 -0.220 1 1 1190 . 15 1 1 A 117 117 ARG CA C 117 52.990 55.129 -2.139 1 1 1191 . 15 1 1 A 117 117 ARG CB C 117 24.560 33.084 -8.524 1 1 1192 . 15 1 1 A 117 117 ARG N N 117 121.900 123.455 -1.555 1 1 1194 . 15 1 1 A 118 118 ASN H H 118 8.741 8.632 0.109 1 1 1195 . 15 1 1 A 118 118 ASN HA H 118 4.731 4.607 0.124 1 1 1200 . 15 1 1 A 118 118 ASN C C 118 175.220 175.440 -0.220 1 1 1201 . 15 1 1 A 118 118 ASN CA C 118 55.090 55.366 -0.276 1 1 1202 . 15 1 1 A 118 118 ASN CB C 118 38.920 40.287 -1.367 1 1 1203 . 15 1 1 A 118 118 ASN N N 118 120.190 121.007 -0.817 1 1 1205 . 15 1 1 A 119 119 ALA H H 119 7.372 7.630 -0.258 1 1 1206 . 15 1 1 A 119 119 ALA HA H 119 5.319 4.874 0.445 1 1 1210 . 15 1 1 A 119 119 ALA C C 119 176.720 175.119 1.601 1 1 1211 . 15 1 1 A 119 119 ALA CA C 119 52.120 51.401 0.719 1 1 1212 . 15 1 1 A 119 119 ALA CB C 119 21.460 22.305 -0.845 1 1 1213 . 15 1 1 A 119 119 ALA N N 119 120.380 117.894 2.486 1 1 1214 . 15 1 1 A 120 120 GLN H H 120 8.787 8.791 -0.004 1 1 1215 . 15 1 1 A 120 120 GLN HA H 120 4.505 4.640 -0.135 1 1 1222 . 15 1 1 A 120 120 GLN C C 120 174.380 173.932 0.448 1 1 1223 . 15 1 1 A 120 120 GLN CA C 120 56.030 54.892 1.138 1 1 1224 . 15 1 1 A 120 120 GLN CB C 120 32.790 32.736 0.054 1 1 1225 . 15 1 1 A 120 120 GLN N N 120 121.180 121.800 -0.620 1 1 1227 . 15 1 1 A 121 121 VAL H H 121 8.692 8.747 -0.055 1 1 1228 . 15 1 1 A 121 121 VAL HA H 121 4.258 4.324 -0.066 1 1 1236 . 15 1 1 A 121 121 VAL C C 121 176.510 174.949 1.561 1 1 1237 . 15 1 1 A 121 121 VAL CA C 121 64.140 62.059 2.081 1 1 1238 . 15 1 1 A 121 121 VAL CB C 121 31.700 32.616 -0.916 1 1 1239 . 15 1 1 A 121 121 VAL N N 121 129.930 126.459 3.471 1 1 1240 . 15 1 1 A 122 122 MET H H 122 8.924 9.393 -0.469 1 1 1241 . 15 1 1 A 122 122 MET HA H 122 4.419 4.715 -0.296 1 1 1249 . 15 1 1 A 122 122 MET C C 122 174.380 174.509 -0.129 1 1 1250 . 15 1 1 A 122 122 MET CA C 122 55.740 54.410 1.330 1 1 1251 . 15 1 1 A 122 122 MET CB C 122 35.140 33.714 1.426 1 1 1252 . 15 1 1 A 122 122 MET N N 122 129.560 127.646 1.914 1 1 1253 . 15 1 1 A 123 123 GLN H H 123 9.002 8.658 0.344 1 1 1254 . 15 1 1 A 123 123 GLN HA H 123 4.823 5.162 -0.339 1 1 1261 . 15 1 1 A 123 123 GLN C C 123 175.530 175.831 -0.301 1 1 1262 . 15 1 1 A 123 123 GLN CA C 123 53.570 54.139 -0.569 1 1 1263 . 15 1 1 A 123 123 GLN CB C 123 32.290 31.965 0.325 1 1 1264 . 15 1 1 A 123 123 GLN N N 123 119.810 126.844 -7.034 1 1 1266 . 15 1 1 A 124 124 THR H H 124 9.036 8.594 0.442 1 1 1267 . 15 1 1 A 124 124 THR HA H 124 4.208 4.201 0.007 1 1 1272 . 15 1 1 A 124 124 THR C C 124 175.300 175.689 -0.389 1 1 1273 . 15 1 1 A 124 124 THR CA C 124 65.510 63.864 1.646 1 1 1274 . 15 1 1 A 124 124 THR CB C 124 69.560 68.701 0.859 1 1 1275 . 15 1 1 A 124 124 THR N N 124 119.570 120.346 -0.776 1 1 1276 . 15 1 1 A 125 125 GLY H H 125 9.921 9.511 0.410 1 1 1277 . 15 1 1 A 125 125 GLY HA2 H 125 4.552 4.022 0.530 1 1 1278 . 15 1 1 A 125 125 GLY HA3 H 125 3.480 4.027 -0.547 1 1 1279 . 15 1 1 A 125 125 GLY C C 125 174.650 174.471 0.179 1 1 1280 . 15 1 1 A 125 125 GLY CA C 125 44.710 44.978 -0.268 1 1 1281 . 15 1 1 A 125 125 GLY N N 125 117.920 117.187 0.733 1 1 1282 . 15 1 1 A 126 126 ASP H H 126 8.638 7.880 0.758 1 1 1283 . 15 1 1 A 126 126 ASP HA H 126 4.876 4.946 -0.070 1 1 1286 . 15 1 1 A 126 126 ASP C C 126 174.650 175.037 -0.387 1 1 1287 . 15 1 1 A 126 126 ASP CA C 126 56.140 54.244 1.896 1 1 1288 . 15 1 1 A 126 126 ASP CB C 126 41.690 42.142 -0.452 1 1 1289 . 15 1 1 A 126 126 ASP N N 126 123.190 121.125 2.065 1 1 1290 . 15 1 1 A 127 127 GLU H H 127 8.316 9.145 -0.829 1 1 1291 . 15 1 1 A 127 127 GLU HA H 127 5.341 5.205 0.136 1 1 1296 . 15 1 1 A 127 127 GLU C C 127 175.990 175.120 0.870 1 1 1297 . 15 1 1 A 127 127 GLU CA C 127 54.440 54.911 -0.471 1 1 1298 . 15 1 1 A 127 127 GLU CB C 127 32.790 33.089 -0.299 1 1 1299 . 15 1 1 A 127 127 GLU N N 127 118.480 120.819 -2.339 1 1 1300 . 15 1 1 A 128 128 ILE H H 128 9.910 9.561 0.349 1 1 1301 . 15 1 1 A 128 128 ILE HA H 128 5.334 4.854 0.480 1 1 1311 . 15 1 1 A 128 128 ILE C C 128 174.700 174.330 0.370 1 1 1312 . 15 1 1 A 128 128 ILE CA C 128 59.470 60.125 -0.655 1 1 1313 . 15 1 1 A 128 128 ILE CB C 128 40.600 39.667 0.933 1 1 1314 . 15 1 1 A 128 128 ILE N N 128 128.810 124.738 4.072 1 1 1315 . 15 1 1 A 129 129 GLN H H 129 9.502 9.471 0.031 1 1 1316 . 15 1 1 A 129 129 GLN HA H 129 5.406 5.319 0.087 1 1 1323 . 15 1 1 A 129 129 GLN C C 129 174.950 174.738 0.212 1 1 1324 . 15 1 1 A 129 129 GLN CA C 129 54.800 54.231 0.569 1 1 1325 . 15 1 1 A 129 129 GLN CB C 129 30.690 31.828 -1.138 1 1 1326 . 15 1 1 A 129 129 GLN N N 129 129.270 128.001 1.269 1 1 1328 . 15 1 1 A 130 130 ILE H H 130 8.498 8.649 -0.151 1 1 1329 . 15 1 1 A 130 130 ILE HA H 130 4.116 4.667 -0.551 1 1 1339 . 15 1 1 A 130 130 ILE C C 130 174.860 176.007 -1.147 1 1 1340 . 15 1 1 A 130 130 ILE CA C 130 60.740 60.041 0.699 1 1 1341 . 15 1 1 A 130 130 ILE CB C 130 41.440 38.291 3.149 1 1 1342 . 15 1 1 A 130 130 ILE N N 130 129.070 127.897 1.173 1 1 1343 . 15 1 1 A 131 131 GLY H H 131 9.924 9.096 0.828 1 1 1344 . 15 1 1 A 131 131 GLY HA2 H 131 3.768 4.004 -0.236 1 1 1345 . 15 1 1 A 131 131 GLY HA3 H 131 3.337 4.017 -0.680 1 1 1346 . 15 1 1 A 131 131 GLY C C 131 174.590 174.716 -0.126 1 1 1347 . 15 1 1 A 131 131 GLY CA C 131 46.700 47.453 -0.753 1 1 1348 . 15 1 1 A 131 131 GLY N N 131 116.470 118.119 -1.649 1 1 1349 . 15 1 1 A 132 132 LYS H H 132 7.141 8.386 -1.245 1 1 1350 . 15 1 1 A 132 132 LYS HA H 132 3.750 4.560 -0.810 1 1 1357 . 15 1 1 A 132 132 LYS C C 132 175.820 176.218 -0.398 1 1 1358 . 15 1 1 A 132 132 LYS CA C 132 57.550 56.536 1.014 1 1 1359 . 15 1 1 A 132 132 LYS CB C 132 33.300 34.815 -1.515 1 1 1360 . 15 1 1 A 132 132 LYS N N 132 122.960 122.582 0.378 1 1 1361 . 15 1 1 A 133 133 PHE H H 133 8.360 7.551 0.809 1 1 1362 . 15 1 1 A 133 133 PHE HA H 133 4.601 5.019 -0.418 1 1 1370 . 15 1 1 A 133 133 PHE C C 133 174.910 173.814 1.096 1 1 1371 . 15 1 1 A 133 133 PHE CA C 133 58.600 55.189 3.411 1 1 1372 . 15 1 1 A 133 133 PHE CB C 133 40.510 41.939 -1.429 1 1 1373 . 15 1 1 A 133 133 PHE N N 133 118.170 115.570 2.600 1 1 1374 . 15 1 1 A 134 134 ARG H H 134 8.698 8.832 -0.134 1 1 1375 . 15 1 1 A 134 134 ARG HA H 134 5.212 5.245 -0.033 1 1 1383 . 15 1 1 A 134 134 ARG C C 134 175.150 174.931 0.219 1 1 1384 . 15 1 1 A 134 134 ARG CA C 134 55.060 54.727 0.333 1 1 1385 . 15 1 1 A 134 134 ARG CB C 134 33.550 33.668 -0.118 1 1 1386 . 15 1 1 A 134 134 ARG N N 134 120.770 120.460 0.310 1 1 1388 . 15 1 1 A 135 135 LEU H H 135 9.904 9.525 0.379 1 1 1389 . 15 1 1 A 135 135 LEU HA H 135 5.544 5.512 0.032 1 1 1399 . 15 1 1 A 135 135 LEU C C 135 175.260 175.765 -0.505 1 1 1400 . 15 1 1 A 135 135 LEU CA C 135 53.930 53.535 0.395 1 1 1401 . 15 1 1 A 135 135 LEU CB C 135 45.550 45.784 -0.234 1 1 1402 . 15 1 1 A 135 135 LEU N N 135 127.130 127.111 0.019 1 1 1403 . 15 1 1 A 136 136 VAL H H 136 9.350 9.472 -0.122 1 1 1404 . 15 1 1 A 136 136 VAL HA H 136 5.226 4.849 0.377 1 1 1412 . 15 1 1 A 136 136 VAL C C 136 174.050 174.118 -0.068 1 1 1413 . 15 1 1 A 136 136 VAL CA C 136 60.520 60.722 -0.202 1 1 1414 . 15 1 1 A 136 136 VAL CB C 136 34.890 33.835 1.055 1 1 1415 . 15 1 1 A 136 136 VAL N N 136 121.300 122.698 -1.398 1 1 1416 . 15 1 1 A 137 137 PHE H H 137 8.492 9.414 -0.922 1 1 1417 . 15 1 1 A 137 137 PHE HA H 137 5.007 5.129 -0.122 1 1 1424 . 15 1 1 A 137 137 PHE C C 137 173.340 174.305 -0.965 1 1 1425 . 15 1 1 A 137 137 PHE CA C 137 57.010 56.092 0.918 1 1 1426 . 15 1 1 A 137 137 PHE CB C 137 41.770 40.863 0.907 1 1 1427 . 15 1 1 A 137 137 PHE N N 137 127.550 128.654 -1.104 1 1 1428 . 15 1 1 A 138 138 LEU H H 138 8.535 8.593 -0.058 1 1 1429 . 15 1 1 A 138 138 LEU HA H 138 4.345 4.934 -0.589 1 1 1439 . 15 1 1 A 138 138 LEU C C 138 173.390 175.127 -1.737 1 1 1440 . 15 1 1 A 138 138 LEU CA C 138 53.680 53.213 0.467 1 1 1441 . 15 1 1 A 138 138 LEU CB C 138 45.210 45.665 -0.455 1 1 1442 . 15 1 1 A 138 138 LEU N N 138 128.590 122.998 5.592 1 1 1443 . 15 1 1 A 139 139 ALA H H 139 7.502 8.467 -0.965 1 1 1444 . 15 1 1 A 139 139 ALA HA H 139 3.952 4.125 -0.173 1 1 1448 . 15 1 1 A 139 139 ALA C C 139 178.010 177.543 0.467 1 1 1449 . 15 1 1 A 139 139 ALA CA C 139 51.650 51.999 -0.349 1 1 1450 . 15 1 1 A 139 139 ALA CB C 139 20.700 18.778 1.922 1 1 1451 . 15 1 1 A 139 139 ALA N N 139 123.250 122.621 0.629 1 1 1452 . 15 1 1 A 140 140 GLY H H 140 7.968 8.382 -0.414 1 1 1453 . 15 1 1 A 140 140 GLY HA2 H 140 4.202 3.976 0.226 1 1 1454 . 15 1 1 A 140 140 GLY HA3 H 140 3.595 3.987 -0.392 1 1 1455 . 15 1 1 A 140 140 GLY C C 140 171.240 173.384 -2.144 1 1 1456 . 15 1 1 A 140 140 GLY CA C 140 44.710 44.287 0.423 1 1 1457 . 15 1 1 A 140 140 GLY N N 140 108.040 110.497 -2.457 1 1 1458 . 15 1 1 A 141 141 PRO HA H 141 4.460 4.617 -0.157 1 1 1463 . 15 1 1 A 141 141 PRO C C 141 176.150 176.326 -0.176 1 1 1464 . 15 1 1 A 141 141 PRO CA C 141 63.230 62.699 0.531 1 1 1465 . 15 1 1 A 141 141 PRO CB C 141 32.370 32.906 -0.536 1 1 1466 . 15 1 1 A 142 142 ALA H H 142 8.496 8.343 0.153 1 1 1467 . 15 1 1 A 142 142 ALA HA H 142 4.363 4.569 -0.206 1 1 1471 . 15 1 1 A 142 142 ALA C C 142 177.320 177.019 0.301 1 1 1472 . 15 1 1 A 142 142 ALA CA C 142 52.740 51.452 1.288 1 1 1473 . 15 1 1 A 142 142 ALA CB C 142 19.780 19.410 0.370 1 1 1474 . 15 1 1 A 142 142 ALA N N 142 124.080 122.639 1.441 1 1 4 . 16 1 1 A 2 2 SER H H 2 8.404 8.638 -0.234 1 1 5 . 16 1 1 A 2 2 SER HA H 2 4.430 4.575 -0.145 1 1 8 . 16 1 1 A 2 2 SER C C 2 174.220 173.602 0.618 1 1 9 . 16 1 1 A 2 2 SER CA C 2 58.650 59.781 -1.131 1 1 10 . 16 1 1 A 2 2 SER CB C 2 64.280 63.600 0.680 1 1 11 . 16 1 1 A 2 2 SER N N 2 116.880 117.442 -0.562 1 1 12 . 16 1 1 A 3 3 ASP H H 3 8.314 8.754 -0.440 1 1 13 . 16 1 1 A 3 3 ASP HA H 3 4.594 5.152 -0.558 1 1 16 . 16 1 1 A 3 3 ASP C C 3 176.070 175.315 0.755 1 1 17 . 16 1 1 A 3 3 ASP CA C 3 54.580 52.596 1.984 1 1 18 . 16 1 1 A 3 3 ASP CB C 3 41.530 43.708 -2.178 1 1 19 . 16 1 1 A 3 3 ASP N N 3 122.210 127.419 -5.209 1 1 20 . 16 1 1 A 4 4 ASN H H 4 8.326 8.616 -0.290 1 1 21 . 16 1 1 A 4 4 ASN HA H 4 4.748 4.697 0.051 1 1 24 . 16 1 1 A 4 4 ASN C C 4 175.130 175.112 0.018 1 1 25 . 16 1 1 A 4 4 ASN CA C 4 53.430 53.822 -0.392 1 1 26 . 16 1 1 A 4 4 ASN CB C 4 38.920 38.866 0.054 1 1 27 . 16 1 1 A 4 4 ASN N N 4 118.670 122.988 -4.318 1 1 28 . 16 1 1 A 5 5 ASN H H 5 8.467 8.945 -0.478 1 1 29 . 16 1 1 A 5 5 ASN HA H 5 4.702 5.375 -0.673 1 1 32 . 16 1 1 A 5 5 ASN C C 5 175.700 174.270 1.430 1 1 33 . 16 1 1 A 5 5 ASN CA C 5 53.610 51.322 2.288 1 1 34 . 16 1 1 A 5 5 ASN CB C 5 39.090 42.806 -3.716 1 1 35 . 16 1 1 A 5 5 ASN N N 5 119.070 121.104 -2.034 1 1 36 . 16 1 1 A 6 6 GLY H H 6 8.333 8.637 -0.304 1 1 37 . 16 1 1 A 6 6 GLY HA2 H 6 3.960 4.012 -0.052 1 1 38 . 16 1 1 A 6 6 GLY HA3 H 6 3.960 4.012 -0.052 1 1 39 . 16 1 1 A 6 6 GLY C C 6 174.050 172.712 1.338 1 1 40 . 16 1 1 A 6 6 GLY CA C 6 45.390 45.845 -0.455 1 1 41 . 16 1 1 A 6 6 GLY N N 6 109.000 107.152 1.848 1 1 42 . 16 1 1 A 7 7 THR H H 7 8.076 8.349 -0.273 1 1 43 . 16 1 1 A 7 7 THR HA H 7 4.591 4.494 0.097 1 1 48 . 16 1 1 A 7 7 THR C C 7 172.840 173.272 -0.432 1 1 49 . 16 1 1 A 7 7 THR CA C 7 60.050 59.477 0.573 1 1 50 . 16 1 1 A 7 7 THR N N 7 116.910 118.648 -1.738 1 1 51 . 16 1 1 A 8 8 PRO HA H 8 4.414 4.543 -0.129 1 1 54 . 16 1 1 A 8 8 PRO C C 8 176.690 176.777 -0.087 1 1 55 . 16 1 1 A 8 8 PRO CA C 8 63.090 62.537 0.553 1 1 56 . 16 1 1 A 8 8 PRO CB C 8 32.290 32.129 0.161 1 1 57 . 16 1 1 A 9 9 GLU H H 9 8.467 8.565 -0.098 1 1 58 . 16 1 1 A 9 9 GLU HA H 9 4.527 4.706 -0.179 1 1 63 . 16 1 1 A 9 9 GLU C C 9 174.680 174.793 -0.113 1 1 64 . 16 1 1 A 9 9 GLU CA C 9 54.550 54.289 0.261 1 1 65 . 16 1 1 A 9 9 GLU N N 9 122.910 121.460 1.450 1 1 66 . 16 1 1 A 10 10 PRO HA H 10 4.371 4.491 -0.120 1 1 71 . 16 1 1 A 10 10 PRO C C 10 176.820 176.678 0.142 1 1 72 . 16 1 1 A 10 10 PRO CA C 10 63.300 63.061 0.239 1 1 73 . 16 1 1 A 10 10 PRO CB C 10 32.290 31.687 0.603 1 1 74 . 16 1 1 A 11 11 GLN H H 11 8.543 8.474 0.069 1 1 75 . 16 1 1 A 11 11 GLN HA H 11 4.334 4.748 -0.414 1 1 82 . 16 1 1 A 11 11 GLN C C 11 176.010 175.017 0.993 1 1 83 . 16 1 1 A 11 11 GLN CA C 11 55.710 55.392 0.318 1 1 84 . 16 1 1 A 11 11 GLN CB C 11 29.520 30.462 -0.942 1 1 85 . 16 1 1 A 11 11 GLN N N 11 121.100 120.566 0.534 1 1 87 . 16 1 1 A 12 12 VAL H H 12 8.201 8.632 -0.431 1 1 88 . 16 1 1 A 12 12 VAL HA H 12 4.144 4.783 -0.639 1 1 96 . 16 1 1 A 12 12 VAL C C 12 175.940 174.821 1.119 1 1 97 . 16 1 1 A 12 12 VAL CA C 12 62.110 61.350 0.760 1 1 98 . 16 1 1 A 12 12 VAL CB C 12 32.800 33.346 -0.546 1 1 99 . 16 1 1 A 12 12 VAL N N 12 122.070 123.692 -1.622 1 1 100 . 16 1 1 A 13 13 GLU H H 13 8.593 9.149 -0.556 1 1 101 . 16 1 1 A 13 13 GLU HA H 13 4.329 4.960 -0.631 1 1 106 . 16 1 1 A 13 13 GLU C C 13 176.720 174.328 2.392 1 1 107 . 16 1 1 A 13 13 GLU CA C 13 56.830 54.393 2.437 1 1 108 . 16 1 1 A 13 13 GLU CB C 13 30.860 33.736 -2.876 1 1 109 . 16 1 1 A 13 13 GLU N N 13 124.660 124.578 0.082 1 1 138 . 16 1 1 A 17 17 VAL H H 17 8.458 8.631 -0.173 1 1 139 . 16 1 1 A 17 17 VAL HA H 17 4.183 4.405 -0.222 1 1 147 . 16 1 1 A 17 17 VAL C C 17 175.950 175.678 0.272 1 1 148 . 16 1 1 A 17 17 VAL CA C 17 63.780 62.835 0.945 1 1 149 . 16 1 1 A 17 17 VAL CB C 17 32.460 31.142 1.318 1 1 150 . 16 1 1 A 17 17 VAL N N 17 124.860 124.439 0.421 1 1 151 . 16 1 1 A 18 18 PHE H H 18 8.579 9.165 -0.586 1 1 152 . 16 1 1 A 18 18 PHE HA H 18 4.650 5.843 -1.193 1 1 160 . 16 1 1 A 18 18 PHE C C 18 173.450 174.149 -0.699 1 1 161 . 16 1 1 A 18 18 PHE CA C 18 57.480 54.978 2.502 1 1 162 . 16 1 1 A 18 18 PHE CB C 18 41.950 42.626 -0.676 1 1 163 . 16 1 1 A 18 18 PHE N N 18 127.160 124.004 3.156 1 1 164 . 16 1 1 A 19 19 ARG H H 19 7.920 9.120 -1.200 1 1 165 . 16 1 1 A 19 19 ARG HA H 19 4.196 4.908 -0.712 1 1 170 . 16 1 1 A 19 19 ARG C C 19 174.930 175.900 -0.970 1 1 171 . 16 1 1 A 19 19 ARG CA C 19 54.800 54.882 -0.082 1 1 172 . 16 1 1 A 19 19 ARG CB C 19 30.610 31.218 -0.608 1 1 173 . 16 1 1 A 19 19 ARG N N 19 127.500 119.989 7.511 1 1 174 . 16 1 1 A 20 20 ALA H H 20 8.067 8.737 -0.670 1 1 175 . 16 1 1 A 20 20 ALA HA H 20 3.729 4.293 -0.564 1 1 179 . 16 1 1 A 20 20 ALA C C 20 177.630 179.365 -1.735 1 1 180 . 16 1 1 A 20 20 ALA CA C 20 53.280 54.750 -1.470 1 1 181 . 16 1 1 A 20 20 ALA CB C 20 18.860 19.388 -0.528 1 1 182 . 16 1 1 A 20 20 ALA N N 20 126.460 126.808 -0.348 1 1 183 . 16 1 1 A 21 21 ASP H H 21 8.355 8.453 -0.098 1 1 184 . 16 1 1 A 21 21 ASP HA H 21 4.350 4.479 -0.129 1 1 187 . 16 1 1 A 21 21 ASP C C 21 176.720 177.771 -1.051 1 1 188 . 16 1 1 A 21 21 ASP CA C 21 54.480 56.092 -1.612 1 1 189 . 16 1 1 A 21 21 ASP CB C 21 40.350 40.620 -0.270 1 1 190 . 16 1 1 A 21 21 ASP N N 21 117.850 119.345 -1.495 1 1 191 . 16 1 1 A 22 22 LEU H H 22 7.705 7.772 -0.067 1 1 192 . 16 1 1 A 22 22 LEU HA H 22 4.088 4.055 0.033 1 1 202 . 16 1 1 A 22 22 LEU C C 22 177.760 179.689 -1.929 1 1 203 . 16 1 1 A 22 22 LEU CA C 22 55.780 57.327 -1.547 1 1 204 . 16 1 1 A 22 22 LEU CB C 22 41.860 41.294 0.566 1 1 205 . 16 1 1 A 22 22 LEU N N 22 121.600 119.258 2.342 1 1 206 . 16 1 1 A 23 23 LEU H H 23 7.717 7.491 0.226 1 1 207 . 16 1 1 A 23 23 LEU HA H 23 4.166 3.859 0.307 1 1 217 . 16 1 1 A 23 23 LEU C C 23 177.840 179.074 -1.234 1 1 218 . 16 1 1 A 23 23 LEU CA C 23 55.960 58.129 -2.169 1 1 219 . 16 1 1 A 23 23 LEU CB C 23 41.950 41.290 0.660 1 1 220 . 16 1 1 A 23 23 LEU N N 23 120.360 119.322 1.038 1 1 221 . 16 1 1 A 24 24 LYS H H 24 7.933 7.586 0.347 1 1 222 . 16 1 1 A 24 24 LYS HA H 24 4.174 4.028 0.146 1 1 229 . 16 1 1 A 24 24 LYS C C 24 177.190 178.672 -1.482 1 1 230 . 16 1 1 A 24 24 LYS CA C 24 57.050 59.223 -2.173 1 1 231 . 16 1 1 A 24 24 LYS CB C 24 32.880 31.932 0.948 1 1 232 . 16 1 1 A 24 24 LYS N N 24 121.120 119.366 1.754 1 1 233 . 16 1 1 A 25 25 GLU H H 25 8.160 8.239 -0.079 1 1 234 . 16 1 1 A 25 25 GLU HA H 25 4.199 3.990 0.209 1 1 239 . 16 1 1 A 25 25 GLU C C 25 176.900 178.380 -1.480 1 1 240 . 16 1 1 A 25 25 GLU CA C 25 57.010 59.630 -2.620 1 1 241 . 16 1 1 A 25 25 GLU CB C 25 30.280 29.099 1.181 1 1 242 . 16 1 1 A 25 25 GLU N N 25 121.550 119.560 1.990 1 1 243 . 16 1 1 A 26 26 MET H H 26 8.270 7.810 0.460 1 1 244 . 16 1 1 A 26 26 MET HA H 26 4.360 3.963 0.397 1 1 252 . 16 1 1 A 26 26 MET C C 26 176.440 178.180 -1.740 1 1 253 . 16 1 1 A 26 26 MET CA C 26 56.180 58.559 -2.379 1 1 254 . 16 1 1 A 26 26 MET CB C 26 33.050 31.977 1.073 1 1 255 . 16 1 1 A 26 26 MET N N 26 120.730 119.188 1.542 1 1 256 . 16 1 1 A 27 27 GLU H H 27 8.297 8.042 0.255 1 1 257 . 16 1 1 A 27 27 GLU HA H 27 4.264 4.401 -0.137 1 1 262 . 16 1 1 A 27 27 GLU C C 27 176.650 178.733 -2.083 1 1 263 . 16 1 1 A 27 27 GLU CA C 27 56.830 58.980 -2.150 1 1 264 . 16 1 1 A 27 27 GLU CB C 27 30.530 28.917 1.613 1 1 265 . 16 1 1 A 27 27 GLU N N 27 121.650 118.696 2.954 1 1 266 . 16 1 1 A 28 28 SER H H 28 8.279 7.812 0.467 1 1 267 . 16 1 1 A 28 28 SER HA H 28 4.473 4.269 0.204 1 1 270 . 16 1 1 A 28 28 SER C C 28 174.760 175.192 -0.432 1 1 271 . 16 1 1 A 28 28 SER CA C 28 58.460 61.276 -2.816 1 1 272 . 16 1 1 A 28 28 SER CB C 28 64.190 63.263 0.927 1 1 273 . 16 1 1 A 28 28 SER N N 28 116.610 117.890 -1.280 1 1 274 . 16 1 1 A 29 29 SER H H 29 8.443 7.803 0.640 1 1 275 . 16 1 1 A 29 29 SER HA H 29 4.541 4.451 0.090 1 1 278 . 16 1 1 A 29 29 SER C C 29 174.950 174.792 0.158 1 1 279 . 16 1 1 A 29 29 SER CA C 29 58.530 59.008 -0.478 1 1 280 . 16 1 1 A 29 29 SER CB C 29 64.190 63.996 0.194 1 1 281 . 16 1 1 A 29 29 SER N N 29 118.290 114.819 3.471 1 1 282 . 16 1 1 A 30 30 THR H H 30 8.220 7.283 0.937 1 1 283 . 16 1 1 A 30 30 THR HA H 30 4.372 3.999 0.373 1 1 288 . 16 1 1 A 30 30 THR C C 30 175.280 174.817 0.463 1 1 289 . 16 1 1 A 30 30 THR CA C 30 62.260 64.870 -2.610 1 1 290 . 16 1 1 A 30 30 THR CB C 30 69.900 68.058 1.842 1 1 291 . 16 1 1 A 30 30 THR N N 30 115.600 115.701 -0.101 1 1 292 . 16 1 1 A 31 31 GLY H H 31 8.401 8.430 -0.029 1 1 293 . 16 1 1 A 31 31 GLY HA2 H 31 4.005 4.202 -0.197 1 1 294 . 16 1 1 A 31 31 GLY HA3 H 31 4.005 4.203 -0.198 1 1 295 . 16 1 1 A 31 31 GLY C C 31 174.160 171.987 2.173 1 1 296 . 16 1 1 A 31 31 GLY CA C 31 45.470 45.248 0.222 1 1 297 . 16 1 1 A 31 31 GLY N N 31 111.270 112.231 -0.961 1 1 298 . 16 1 1 A 32 32 THR H H 32 8.034 8.368 -0.334 1 1 299 . 16 1 1 A 32 32 THR HA H 32 4.319 5.048 -0.729 1 1 304 . 16 1 1 A 32 32 THR C C 32 174.130 173.327 0.803 1 1 305 . 16 1 1 A 32 32 THR CA C 32 61.710 61.588 0.122 1 1 306 . 16 1 1 A 32 32 THR CB C 32 70.150 71.013 -0.863 1 1 307 . 16 1 1 A 32 32 THR N N 32 113.770 116.571 -2.801 1 1 308 . 16 1 1 A 33 33 ALA H H 33 8.410 8.730 -0.320 1 1 309 . 16 1 1 A 33 33 ALA HA H 33 4.581 4.904 -0.323 1 1 313 . 16 1 1 A 33 33 ALA C C 33 175.490 175.742 -0.252 1 1 314 . 16 1 1 A 33 33 ALA CA C 33 50.680 48.990 1.690 1 1 315 . 16 1 1 A 33 33 ALA N N 33 128.320 128.711 -0.391 1 1 316 . 16 1 1 A 34 34 PRO HA H 34 4.389 4.785 -0.396 1 1 321 . 16 1 1 A 34 34 PRO C C 34 176.650 176.068 0.582 1 1 322 . 16 1 1 A 34 34 PRO CA C 34 63.090 62.432 0.658 1 1 323 . 16 1 1 A 34 34 PRO CB C 34 32.210 32.826 -0.616 1 1 324 . 16 1 1 A 35 35 ALA H H 35 8.433 8.281 0.152 1 1 325 . 16 1 1 A 35 35 ALA HA H 35 4.275 5.064 -0.789 1 1 329 . 16 1 1 A 35 35 ALA C C 35 177.730 175.356 2.374 1 1 330 . 16 1 1 A 35 35 ALA CA C 35 52.590 50.742 1.848 1 1 331 . 16 1 1 A 35 35 ALA CB C 35 19.450 23.977 -4.527 1 1 332 . 16 1 1 A 35 35 ALA N N 35 124.330 120.590 3.740 1 1 333 . 16 1 1 A 36 36 SER H H 36 8.259 9.231 -0.972 1 1 334 . 16 1 1 A 36 36 SER HA H 36 4.474 5.316 -0.842 1 1 337 . 16 1 1 A 36 36 SER C C 36 174.860 172.570 2.290 1 1 338 . 16 1 1 A 36 36 SER CA C 36 58.130 57.172 0.958 1 1 339 . 16 1 1 A 36 36 SER CB C 36 64.190 66.232 -2.042 1 1 340 . 16 1 1 A 36 36 SER N N 36 114.560 115.180 -0.620 1 1 341 . 16 1 1 A 37 37 THR H H 37 8.325 8.601 -0.276 1 1 342 . 16 1 1 A 37 37 THR HA H 37 4.281 4.614 -0.333 1 1 346 . 16 1 1 A 37 37 THR C C 37 175.110 175.047 0.063 1 1 347 . 16 1 1 A 37 37 THR CA C 37 62.260 61.801 0.459 1 1 348 . 16 1 1 A 37 37 THR CB C 37 70.150 70.015 0.135 1 1 349 . 16 1 1 A 37 37 THR N N 37 115.300 117.791 -2.491 1 1 350 . 16 1 1 A 38 38 GLY H H 38 8.511 8.409 0.102 1 1 351 . 16 1 1 A 38 38 GLY HA2 H 38 3.975 3.933 0.042 1 1 352 . 16 1 1 A 38 38 GLY HA3 H 38 3.809 3.946 -0.137 1 1 353 . 16 1 1 A 38 38 GLY C C 38 174.470 175.485 -1.015 1 1 354 . 16 1 1 A 38 38 GLY CA C 38 45.470 45.431 0.039 1 1 355 . 16 1 1 A 38 38 GLY N N 38 110.440 115.860 -5.420 1 1 356 . 16 1 1 A 39 39 ALA H H 39 8.245 8.255 -0.010 1 1 357 . 16 1 1 A 39 39 ALA HA H 39 4.164 3.978 0.186 1 1 361 . 16 1 1 A 39 39 ALA C C 39 177.590 179.881 -2.291 1 1 362 . 16 1 1 A 39 39 ALA CA C 39 52.560 54.778 -2.218 1 1 363 . 16 1 1 A 39 39 ALA CB C 39 19.360 18.343 1.017 1 1 364 . 16 1 1 A 39 39 ALA N N 39 124.080 124.474 -0.394 1 1 365 . 16 1 1 A 40 40 GLU H H 40 8.721 8.409 0.312 1 1 366 . 16 1 1 A 40 40 GLU HA H 40 4.083 4.283 -0.200 1 1 371 . 16 1 1 A 40 40 GLU C C 40 176.320 177.421 -1.101 1 1 372 . 16 1 1 A 40 40 GLU CA C 40 57.910 57.896 0.014 1 1 373 . 16 1 1 A 40 40 GLU CB C 40 29.520 28.404 1.116 1 1 374 . 16 1 1 A 40 40 GLU N N 40 118.270 116.041 2.229 1 1 375 . 16 1 1 A 41 41 ASN H H 41 8.226 7.694 0.532 1 1 376 . 16 1 1 A 41 41 ASN HA H 41 4.716 4.788 -0.072 1 1 381 . 16 1 1 A 41 41 ASN C C 41 174.800 174.806 -0.006 1 1 382 . 16 1 1 A 41 41 ASN CA C 41 52.880 53.012 -0.132 1 1 383 . 16 1 1 A 41 41 ASN CB C 41 38.840 39.543 -0.703 1 1 384 . 16 1 1 A 41 41 ASN N N 41 117.620 117.026 0.594 1 1 386 . 16 1 1 A 42 42 LEU H H 42 7.629 7.852 -0.223 1 1 387 . 16 1 1 A 42 42 LEU HA H 42 4.418 4.040 0.378 1 1 397 . 16 1 1 A 42 42 LEU C C 42 174.610 176.913 -2.303 1 1 398 . 16 1 1 A 42 42 LEU CA C 42 53.170 55.353 -2.183 1 1 399 . 16 1 1 A 42 42 LEU N N 42 123.010 116.657 6.353 1 1 400 . 16 1 1 A 43 43 PRO HA H 43 4.366 4.269 0.097 1 1 407 . 16 1 1 A 43 43 PRO C C 43 177.050 177.278 -0.228 1 1 408 . 16 1 1 A 43 43 PRO CA C 43 62.260 66.240 -3.980 1 1 409 . 16 1 1 A 43 43 PRO CB C 43 32.380 31.409 0.971 1 1 410 . 16 1 1 A 44 44 ALA H H 44 8.552 7.771 0.781 1 1 411 . 16 1 1 A 44 44 ALA HA H 44 4.223 4.517 -0.294 1 1 415 . 16 1 1 A 44 44 ALA C C 44 179.500 178.332 1.168 1 1 416 . 16 1 1 A 44 44 ALA CA C 44 53.250 51.479 1.771 1 1 417 . 16 1 1 A 44 44 ALA CB C 44 18.190 20.128 -1.938 1 1 418 . 16 1 1 A 44 44 ALA N N 44 125.070 117.319 7.751 1 1 419 . 16 1 1 A 45 45 GLY H H 45 8.897 8.933 -0.036 1 1 420 . 16 1 1 A 45 45 GLY HA2 H 45 4.214 3.935 0.279 1 1 421 . 16 1 1 A 45 45 GLY HA3 H 45 3.833 3.993 -0.160 1 1 422 . 16 1 1 A 45 45 GLY C C 45 173.720 173.491 0.229 1 1 423 . 16 1 1 A 45 45 GLY CA C 45 45.790 45.780 0.010 1 1 424 . 16 1 1 A 45 45 GLY N N 45 110.600 110.008 0.592 1 1 425 . 16 1 1 A 46 46 SER H H 46 7.690 7.983 -0.293 1 1 426 . 16 1 1 A 46 46 SER HA H 46 5.338 5.314 0.024 1 1 429 . 16 1 1 A 46 46 SER C C 46 172.990 172.635 0.355 1 1 430 . 16 1 1 A 46 46 SER CA C 46 57.810 57.869 -0.059 1 1 431 . 16 1 1 A 46 46 SER CB C 46 66.960 67.157 -0.197 1 1 432 . 16 1 1 A 46 46 SER N N 46 114.180 115.981 -1.801 1 1 433 . 16 1 1 A 47 47 ALA H H 47 8.435 8.757 -0.322 1 1 434 . 16 1 1 A 47 47 ALA HA H 47 4.338 4.781 -0.443 1 1 438 . 16 1 1 A 47 47 ALA C C 47 173.840 175.832 -1.992 1 1 439 . 16 1 1 A 47 47 ALA CA C 47 51.690 51.348 0.342 1 1 440 . 16 1 1 A 47 47 ALA CB C 47 24.570 23.180 1.390 1 1 441 . 16 1 1 A 47 47 ALA N N 47 120.900 123.214 -2.314 1 1 442 . 16 1 1 A 48 48 LEU H H 48 8.673 8.655 0.018 1 1 443 . 16 1 1 A 48 48 LEU HA H 48 5.021 5.258 -0.237 1 1 453 . 16 1 1 A 48 48 LEU C C 48 174.680 175.417 -0.737 1 1 454 . 16 1 1 A 48 48 LEU CA C 48 53.350 52.483 0.867 1 1 455 . 16 1 1 A 48 48 LEU CB C 48 48.150 45.964 2.186 1 1 456 . 16 1 1 A 48 48 LEU N N 48 120.170 115.486 4.684 1 1 457 . 16 1 1 A 49 49 LEU H H 49 8.686 9.229 -0.543 1 1 458 . 16 1 1 A 49 49 LEU HA H 49 5.403 5.332 0.071 1 1 468 . 16 1 1 A 49 49 LEU C C 49 176.170 174.831 1.339 1 1 469 . 16 1 1 A 49 49 LEU CA C 49 52.810 53.093 -0.283 1 1 470 . 16 1 1 A 49 49 LEU CB C 49 46.310 45.025 1.285 1 1 471 . 16 1 1 A 49 49 LEU N N 49 120.170 117.604 2.566 1 1 472 . 16 1 1 A 50 50 VAL H H 50 8.874 9.469 -0.595 1 1 473 . 16 1 1 A 50 50 VAL HA H 50 4.971 5.055 -0.084 1 1 481 . 16 1 1 A 50 50 VAL C C 50 176.740 174.284 2.456 1 1 482 . 16 1 1 A 50 50 VAL CA C 50 59.940 59.819 0.121 1 1 483 . 16 1 1 A 50 50 VAL CB C 50 34.970 34.455 0.515 1 1 484 . 16 1 1 A 50 50 VAL N N 50 120.580 121.286 -0.706 1 1 485 . 16 1 1 A 51 51 VAL H H 51 8.984 9.332 -0.348 1 1 486 . 16 1 1 A 51 51 VAL HA H 51 4.155 4.062 0.093 1 1 494 . 16 1 1 A 51 51 VAL C C 51 176.050 176.051 -0.001 1 1 495 . 16 1 1 A 51 51 VAL CA C 51 64.280 63.227 1.053 1 1 496 . 16 1 1 A 51 51 VAL CB C 51 31.280 31.339 -0.059 1 1 497 . 16 1 1 A 51 51 VAL N N 51 125.710 128.151 -2.441 1 1 498 . 16 1 1 A 52 52 LYS H H 52 9.444 9.534 -0.090 1 1 499 . 16 1 1 A 52 52 LYS HA H 52 4.450 4.375 0.075 1 1 506 . 16 1 1 A 52 52 LYS C C 52 176.150 175.735 0.415 1 1 507 . 16 1 1 A 52 52 LYS CA C 52 57.050 57.430 -0.380 1 1 508 . 16 1 1 A 52 52 LYS CB C 52 34.470 33.842 0.628 1 1 509 . 16 1 1 A 52 52 LYS N N 52 132.750 129.956 2.794 1 1 510 . 16 1 1 A 53 53 ARG H H 53 8.051 7.562 0.489 1 1 511 . 16 1 1 A 53 53 ARG HA H 53 4.685 4.815 -0.130 1 1 516 . 16 1 1 A 53 53 ARG C C 53 173.470 174.677 -1.207 1 1 517 . 16 1 1 A 53 53 ARG CA C 53 55.090 55.338 -0.248 1 1 518 . 16 1 1 A 53 53 ARG CB C 53 34.300 34.164 0.136 1 1 519 . 16 1 1 A 53 53 ARG N N 53 117.320 118.655 -1.335 1 1 520 . 16 1 1 A 54 54 GLY H H 54 8.377 8.338 0.039 1 1 521 . 16 1 1 A 54 54 GLY HA2 H 54 4.215 3.665 0.550 1 1 522 . 16 1 1 A 54 54 GLY HA3 H 54 3.503 3.884 -0.381 1 1 523 . 16 1 1 A 54 54 GLY C C 54 171.870 174.442 -2.572 1 1 524 . 16 1 1 A 54 54 GLY CA C 54 43.770 43.944 -0.174 1 1 525 . 16 1 1 A 54 54 GLY N N 54 110.960 112.290 -1.330 1 1 526 . 16 1 1 A 55 55 PRO HA H 55 4.255 4.318 -0.063 1 1 531 . 16 1 1 A 55 55 PRO C C 55 175.940 177.568 -1.628 1 1 532 . 16 1 1 A 55 55 PRO CA C 55 64.390 65.177 -0.787 1 1 533 . 16 1 1 A 55 55 PRO CB C 55 31.360 31.966 -0.606 1 1 534 . 16 1 1 A 56 56 ASN H H 56 8.202 8.677 -0.475 1 1 535 . 16 1 1 A 56 56 ASN HA H 56 4.685 4.997 -0.312 1 1 540 . 16 1 1 A 56 56 ASN C C 56 174.410 175.042 -0.632 1 1 541 . 16 1 1 A 56 56 ASN CA C 56 52.120 52.805 -0.685 1 1 542 . 16 1 1 A 56 56 ASN CB C 56 37.070 38.959 -1.889 1 1 543 . 16 1 1 A 56 56 ASN N N 56 114.760 114.594 0.166 1 1 545 . 16 1 1 A 57 57 ALA H H 57 7.283 7.545 -0.262 1 1 546 . 16 1 1 A 57 57 ALA HA H 57 3.618 4.150 -0.532 1 1 550 . 16 1 1 A 57 57 ALA C C 57 178.090 178.346 -0.256 1 1 551 . 16 1 1 A 57 57 ALA CA C 57 54.480 53.853 0.627 1 1 552 . 16 1 1 A 57 57 ALA CB C 57 17.760 18.486 -0.726 1 1 553 . 16 1 1 A 57 57 ALA N N 57 120.380 122.655 -2.275 1 1 554 . 16 1 1 A 58 58 GLY H H 58 9.052 9.339 -0.287 1 1 555 . 16 1 1 A 58 58 GLY HA2 H 58 4.449 3.999 0.450 1 1 556 . 16 1 1 A 58 58 GLY HA3 H 58 3.415 4.006 -0.591 1 1 557 . 16 1 1 A 58 58 GLY C C 58 174.610 174.321 0.289 1 1 558 . 16 1 1 A 58 58 GLY CA C 58 44.530 45.044 -0.514 1 1 559 . 16 1 1 A 58 58 GLY N N 58 112.180 110.664 1.516 1 1 560 . 16 1 1 A 59 59 ALA H H 59 8.171 7.632 0.539 1 1 561 . 16 1 1 A 59 59 ALA HA H 59 4.081 4.199 -0.118 1 1 565 . 16 1 1 A 59 59 ALA C C 59 175.220 177.105 -1.885 1 1 566 . 16 1 1 A 59 59 ALA CA C 59 53.170 51.738 1.432 1 1 567 . 16 1 1 A 59 59 ALA CB C 59 19.360 19.738 -0.378 1 1 568 . 16 1 1 A 59 59 ALA N N 59 124.650 123.818 0.832 1 1 569 . 16 1 1 A 60 60 ARG H H 60 7.751 8.613 -0.862 1 1 570 . 16 1 1 A 60 60 ARG HA H 60 5.105 5.021 0.084 1 1 575 . 16 1 1 A 60 60 ARG C C 60 175.320 174.621 0.699 1 1 576 . 16 1 1 A 60 60 ARG CA C 60 54.150 54.290 -0.140 1 1 577 . 16 1 1 A 60 60 ARG CB C 60 34.130 33.280 0.850 1 1 578 . 16 1 1 A 60 60 ARG N N 60 116.920 119.824 -2.904 1 1 579 . 16 1 1 A 61 61 PHE H H 61 9.213 9.448 -0.235 1 1 580 . 16 1 1 A 61 61 PHE HA H 61 4.788 4.953 -0.165 1 1 587 . 16 1 1 A 61 61 PHE C C 61 173.930 175.296 -1.366 1 1 588 . 16 1 1 A 61 61 PHE CA C 61 56.500 56.591 -0.091 1 1 589 . 16 1 1 A 61 61 PHE CB C 61 41.860 42.005 -0.145 1 1 590 . 16 1 1 A 61 61 PHE N N 61 121.090 120.552 0.538 1 1 591 . 16 1 1 A 62 62 LEU H H 62 8.638 8.719 -0.081 1 1 592 . 16 1 1 A 62 62 LEU HA H 62 4.566 4.807 -0.241 1 1 602 . 16 1 1 A 62 62 LEU C C 62 176.570 176.577 -0.007 1 1 603 . 16 1 1 A 62 62 LEU CA C 62 55.130 53.552 1.578 1 1 604 . 16 1 1 A 62 62 LEU CB C 62 43.620 43.085 0.535 1 1 605 . 16 1 1 A 62 62 LEU N N 62 125.630 121.972 3.658 1 1 606 . 16 1 1 A 63 63 LEU H H 63 8.929 9.227 -0.298 1 1 607 . 16 1 1 A 63 63 LEU HA H 63 4.852 4.600 0.252 1 1 617 . 16 1 1 A 63 63 LEU C C 63 175.070 176.532 -1.462 1 1 618 . 16 1 1 A 63 63 LEU CA C 63 53.170 54.849 -1.679 1 1 619 . 16 1 1 A 63 63 LEU CB C 63 42.110 41.052 1.058 1 1 620 . 16 1 1 A 63 63 LEU N N 63 125.980 125.399 0.581 1 1 621 . 16 1 1 A 64 64 ASP H H 64 8.601 9.084 -0.483 1 1 622 . 16 1 1 A 64 64 ASP HA H 64 4.736 4.944 -0.208 1 1 625 . 16 1 1 A 64 64 ASP C C 64 175.130 175.696 -0.566 1 1 626 . 16 1 1 A 64 64 ASP CA C 64 53.640 53.613 0.027 1 1 627 . 16 1 1 A 64 64 ASP CB C 64 41.020 42.560 -1.540 1 1 628 . 16 1 1 A 64 64 ASP N N 64 120.910 126.176 -5.266 1 1 629 . 16 1 1 A 65 65 GLN H H 65 7.497 7.568 -0.071 1 1 630 . 16 1 1 A 65 65 GLN HA H 65 4.856 4.703 0.153 1 1 637 . 16 1 1 A 65 65 GLN C C 65 173.550 175.615 -2.065 1 1 638 . 16 1 1 A 65 65 GLN CA C 65 52.780 53.580 -0.800 1 1 639 . 16 1 1 A 65 65 GLN N N 65 117.420 116.844 0.576 1 1 641 . 16 1 1 A 66 66 PRO HA H 66 4.190 4.434 -0.244 1 1 648 . 16 1 1 A 66 66 PRO C C 66 177.400 176.774 0.626 1 1 649 . 16 1 1 A 66 66 PRO CA C 66 66.810 64.943 1.867 1 1 650 . 16 1 1 A 66 66 PRO CB C 66 32.370 32.061 0.309 1 1 651 . 16 1 1 A 67 67 THR H H 67 7.647 7.501 0.146 1 1 652 . 16 1 1 A 67 67 THR HA H 67 4.811 5.203 -0.392 1 1 657 . 16 1 1 A 67 67 THR C C 67 173.280 173.286 -0.006 1 1 658 . 16 1 1 A 67 67 THR CA C 67 62.830 61.200 1.630 1 1 659 . 16 1 1 A 67 67 THR CB C 67 71.740 71.533 0.207 1 1 660 . 16 1 1 A 67 67 THR N N 67 109.270 111.920 -2.650 1 1 661 . 16 1 1 A 68 68 THR H H 68 8.919 9.409 -0.490 1 1 662 . 16 1 1 A 68 68 THR HA H 68 4.968 4.977 -0.009 1 1 667 . 16 1 1 A 68 68 THR C C 68 175.090 174.335 0.755 1 1 668 . 16 1 1 A 68 68 THR CA C 68 61.820 62.126 -0.306 1 1 669 . 16 1 1 A 68 68 THR CB C 68 70.730 69.616 1.114 1 1 670 . 16 1 1 A 68 68 THR N N 68 125.610 124.209 1.401 1 1 671 . 16 1 1 A 69 69 THR H H 69 10.398 8.782 1.616 1 1 672 . 16 1 1 A 69 69 THR HA H 69 4.491 4.960 -0.469 1 1 677 . 16 1 1 A 69 69 THR C C 69 173.140 173.987 -0.847 1 1 678 . 16 1 1 A 69 69 THR CA C 69 61.790 60.701 1.089 1 1 679 . 16 1 1 A 69 69 THR CB C 69 70.820 70.231 0.589 1 1 680 . 16 1 1 A 69 69 THR N N 69 121.520 119.301 2.219 1 1 681 . 16 1 1 A 70 70 ALA H H 70 8.722 8.950 -0.228 1 1 682 . 16 1 1 A 70 70 ALA HA H 70 5.696 5.663 0.033 1 1 686 . 16 1 1 A 70 70 ALA C C 70 175.840 176.247 -0.407 1 1 687 . 16 1 1 A 70 70 ALA CA C 70 50.030 50.374 -0.344 1 1 688 . 16 1 1 A 70 70 ALA CB C 70 22.300 22.441 -0.141 1 1 689 . 16 1 1 A 70 70 ALA N N 70 122.410 125.790 -3.380 1 1 690 . 16 1 1 A 71 71 GLY H H 71 8.430 8.084 0.346 1 1 691 . 16 1 1 A 71 71 GLY HA2 H 71 4.474 4.273 0.201 1 1 692 . 16 1 1 A 71 71 GLY HA3 H 71 3.903 4.292 -0.389 1 1 693 . 16 1 1 A 71 71 GLY C C 71 170.540 172.213 -1.673 1 1 694 . 16 1 1 A 71 71 GLY CA C 71 46.300 45.558 0.742 1 1 695 . 16 1 1 A 71 71 GLY N N 71 108.960 108.013 0.947 1 1 696 . 16 1 1 A 72 72 ARG H H 72 8.341 8.444 -0.103 1 1 697 . 16 1 1 A 72 72 ARG HA H 72 4.481 5.364 -0.883 1 1 702 . 16 1 1 A 72 72 ARG C C 72 175.720 175.526 0.194 1 1 703 . 16 1 1 A 72 72 ARG CA C 72 54.800 54.984 -0.184 1 1 704 . 16 1 1 A 72 72 ARG CB C 72 32.540 32.677 -0.137 1 1 705 . 16 1 1 A 72 72 ARG N N 72 120.930 119.387 1.543 1 1 706 . 16 1 1 A 73 73 HIS H H 73 9.295 8.925 0.370 1 1 707 . 16 1 1 A 73 73 HIS HA H 73 4.403 4.452 -0.049 1 1 712 . 16 1 1 A 73 73 HIS C C 73 176.860 175.478 1.382 1 1 713 . 16 1 1 A 73 73 HIS CA C 73 57.050 56.381 0.669 1 1 714 . 16 1 1 A 73 73 HIS N N 73 125.290 118.634 6.656 1 1 715 . 16 1 1 A 74 74 PRO HA H 74 4.373 4.033 0.340 1 1 722 . 16 1 1 A 74 74 PRO C C 74 177.590 177.508 0.082 1 1 723 . 16 1 1 A 74 74 PRO CA C 74 64.930 64.669 0.261 1 1 724 . 16 1 1 A 74 74 PRO CB C 74 32.030 31.607 0.423 1 1 725 . 16 1 1 A 75 75 GLU H H 75 10.575 8.491 2.084 1 1 726 . 16 1 1 A 75 75 GLU HA H 75 4.352 4.146 0.206 1 1 731 . 16 1 1 A 75 75 GLU C C 75 177.320 176.686 0.634 1 1 732 . 16 1 1 A 75 75 GLU CA C 75 56.070 57.983 -1.913 1 1 733 . 16 1 1 A 75 75 GLU CB C 75 29.010 28.695 0.315 1 1 734 . 16 1 1 A 75 75 GLU N N 75 119.840 115.407 4.433 1 1 735 . 16 1 1 A 76 76 SER H H 76 8.236 8.093 0.143 1 1 736 . 16 1 1 A 76 76 SER HA H 76 4.100 5.118 -1.018 1 1 739 . 16 1 1 A 76 76 SER C C 76 173.120 174.310 -1.190 1 1 740 . 16 1 1 A 76 76 SER CA C 76 60.160 59.319 0.841 1 1 741 . 16 1 1 A 76 76 SER CB C 76 65.530 63.568 1.962 1 1 742 . 16 1 1 A 76 76 SER N N 76 118.860 116.013 2.847 1 1 743 . 16 1 1 A 77 77 ASP H H 77 8.541 9.186 -0.645 1 1 744 . 16 1 1 A 77 77 ASP HA H 77 4.344 4.345 -0.001 1 1 747 . 16 1 1 A 77 77 ASP C C 77 177.590 175.844 1.746 1 1 748 . 16 1 1 A 77 77 ASP CA C 77 58.380 56.997 1.383 1 1 749 . 16 1 1 A 77 77 ASP CB C 77 42.110 40.441 1.669 1 1 750 . 16 1 1 A 77 77 ASP N N 77 126.720 125.499 1.221 1 1 751 . 16 1 1 A 78 78 ILE H H 78 8.571 8.730 -0.159 1 1 752 . 16 1 1 A 78 78 ILE HA H 78 3.563 3.910 -0.347 1 1 762 . 16 1 1 A 78 78 ILE C C 78 172.930 174.257 -1.327 1 1 763 . 16 1 1 A 78 78 ILE CA C 78 60.880 60.084 0.796 1 1 764 . 16 1 1 A 78 78 ILE CB C 78 37.410 37.749 -0.339 1 1 765 . 16 1 1 A 78 78 ILE N N 78 120.210 118.438 1.772 1 1 766 . 16 1 1 A 79 79 PHE H H 79 8.018 9.029 -1.011 1 1 767 . 16 1 1 A 79 79 PHE HA H 79 5.018 4.964 0.054 1 1 775 . 16 1 1 A 79 79 PHE C C 79 174.130 173.872 0.258 1 1 776 . 16 1 1 A 79 79 PHE CA C 79 55.780 56.163 -0.383 1 1 777 . 16 1 1 A 79 79 PHE CB C 79 39.170 40.007 -0.837 1 1 778 . 16 1 1 A 79 79 PHE N N 79 127.300 129.186 -1.886 1 1 779 . 16 1 1 A 80 80 LEU H H 80 7.695 8.309 -0.614 1 1 780 . 16 1 1 A 80 80 LEU HA H 80 3.619 4.608 -0.989 1 1 790 . 16 1 1 A 80 80 LEU C C 80 173.720 174.101 -0.381 1 1 791 . 16 1 1 A 80 80 LEU CA C 80 52.340 52.543 -0.203 1 1 792 . 16 1 1 A 80 80 LEU CB C 80 41.770 42.646 -0.876 1 1 793 . 16 1 1 A 80 80 LEU N N 80 131.810 128.083 3.727 1 1 794 . 16 1 1 A 81 81 ASP H H 81 7.974 8.760 -0.786 1 1 795 . 16 1 1 A 81 81 ASP HA H 81 4.141 4.992 -0.851 1 1 798 . 16 1 1 A 81 81 ASP C C 81 175.130 174.641 0.489 1 1 799 . 16 1 1 A 81 81 ASP CA C 81 53.210 53.018 0.192 1 1 800 . 16 1 1 A 81 81 ASP CB C 81 39.930 42.630 -2.700 1 1 801 . 16 1 1 A 81 81 ASP N N 81 121.130 125.554 -4.424 1 1 802 . 16 1 1 A 82 82 ASP H H 82 7.583 8.562 -0.979 1 1 803 . 16 1 1 A 82 82 ASP HA H 82 4.859 5.106 -0.247 1 1 806 . 16 1 1 A 82 82 ASP C C 82 176.760 175.800 0.960 1 1 807 . 16 1 1 A 82 82 ASP CA C 82 54.980 52.110 2.870 1 1 808 . 16 1 1 A 82 82 ASP CB C 82 39.170 43.919 -4.749 1 1 809 . 16 1 1 A 82 82 ASP N N 82 121.540 126.467 -4.927 1 1 810 . 16 1 1 A 83 83 VAL H H 83 8.344 8.535 -0.191 1 1 811 . 16 1 1 A 83 83 VAL HA H 83 4.012 3.925 0.087 1 1 819 . 16 1 1 A 83 83 VAL C C 83 174.860 175.907 -1.047 1 1 820 . 16 1 1 A 83 83 VAL CA C 83 65.330 64.127 1.203 1 1 821 . 16 1 1 A 83 83 VAL CB C 83 31.530 32.562 -1.032 1 1 822 . 16 1 1 A 83 83 VAL N N 83 122.260 120.821 1.439 1 1 823 . 16 1 1 A 84 84 THR H H 84 8.268 6.968 1.300 1 1 824 . 16 1 1 A 84 84 THR HA H 84 4.540 4.665 -0.125 1 1 828 . 16 1 1 A 84 84 THR C C 84 175.360 172.821 2.539 1 1 829 . 16 1 1 A 84 84 THR CA C 84 63.810 61.316 2.494 1 1 830 . 16 1 1 A 84 84 THR CB C 84 70.900 70.055 0.845 1 1 831 . 16 1 1 A 84 84 THR N N 84 110.620 113.528 -2.908 1 1 832 . 16 1 1 A 85 85 VAL H H 85 8.579 8.929 -0.350 1 1 833 . 16 1 1 A 85 85 VAL HA H 85 4.254 4.396 -0.142 1 1 841 . 16 1 1 A 85 85 VAL C C 85 177.070 175.784 1.286 1 1 842 . 16 1 1 A 85 85 VAL CA C 85 61.930 61.974 -0.044 1 1 843 . 16 1 1 A 85 85 VAL CB C 85 32.450 32.814 -0.364 1 1 844 . 16 1 1 A 85 85 VAL N N 85 126.860 128.575 -1.715 1 1 845 . 16 1 1 A 86 86 SER H H 86 11.668 9.055 2.613 1 1 846 . 16 1 1 A 86 86 SER HA H 86 5.203 4.543 0.660 1 1 849 . 16 1 1 A 86 86 SER C C 86 175.470 176.084 -0.614 1 1 850 . 16 1 1 A 86 86 SER CA C 86 61.600 57.894 3.706 1 1 851 . 16 1 1 A 86 86 SER CB C 86 64.270 64.296 -0.026 1 1 852 . 16 1 1 A 86 86 SER N N 86 128.670 122.916 5.754 1 1 853 . 16 1 1 A 87 87 ARG H H 87 10.946 8.811 2.135 1 1 854 . 16 1 1 A 87 87 ARG HA H 87 5.179 4.167 1.012 1 1 862 . 16 1 1 A 87 87 ARG C C 87 177.110 176.430 0.680 1 1 863 . 16 1 1 A 87 87 ARG CA C 87 60.810 59.127 1.683 1 1 864 . 16 1 1 A 87 87 ARG CB C 87 29.010 29.750 -0.740 1 1 865 . 16 1 1 A 87 87 ARG N N 87 126.810 122.877 3.933 1 1 867 . 16 1 1 A 88 88 ARG H H 88 7.946 7.906 0.040 1 1 868 . 16 1 1 A 88 88 ARG HA H 88 4.459 4.636 -0.177 1 1 876 . 16 1 1 A 88 88 ARG C C 88 172.990 175.731 -2.741 1 1 877 . 16 1 1 A 88 88 ARG CA C 88 55.060 54.736 0.324 1 1 878 . 16 1 1 A 88 88 ARG CB C 88 29.770 31.370 -1.600 1 1 879 . 16 1 1 A 88 88 ARG N N 88 115.670 118.546 -2.876 1 1 881 . 16 1 1 A 89 89 HIS H H 89 7.613 9.000 -1.387 1 1 882 . 16 1 1 A 89 89 HIS HA H 89 4.437 4.957 -0.520 1 1 888 . 16 1 1 A 89 89 HIS C C 89 174.050 174.876 -0.826 1 1 889 . 16 1 1 A 89 89 HIS CA C 89 58.420 58.856 -0.436 1 1 890 . 16 1 1 A 89 89 HIS CB C 89 32.620 31.174 1.446 1 1 891 . 16 1 1 A 89 89 HIS N N 89 124.000 125.002 -1.002 1 1 893 . 16 1 1 A 90 90 ALA H H 90 8.454 7.278 1.176 1 1 894 . 16 1 1 A 90 90 ALA HA H 90 5.529 4.574 0.955 1 1 898 . 16 1 1 A 90 90 ALA C C 90 176.260 174.712 1.548 1 1 899 . 16 1 1 A 90 90 ALA CA C 90 50.240 51.373 -1.133 1 1 900 . 16 1 1 A 90 90 ALA CB C 90 23.220 22.637 0.583 1 1 901 . 16 1 1 A 90 90 ALA N N 90 116.480 117.700 -1.220 1 1 902 . 16 1 1 A 91 91 GLU H H 91 9.216 9.014 0.202 1 1 903 . 16 1 1 A 91 91 GLU HA H 91 4.931 5.038 -0.107 1 1 908 . 16 1 1 A 91 91 GLU C C 91 173.910 174.267 -0.357 1 1 909 . 16 1 1 A 91 91 GLU CA C 91 54.690 54.614 0.076 1 1 910 . 16 1 1 A 91 91 GLU CB C 91 34.720 33.300 1.420 1 1 911 . 16 1 1 A 91 91 GLU N N 91 118.140 117.081 1.059 1 1 912 . 16 1 1 A 92 92 PHE H H 92 9.330 9.474 -0.144 1 1 913 . 16 1 1 A 92 92 PHE HA H 92 5.502 5.329 0.173 1 1 921 . 16 1 1 A 92 92 PHE C C 92 176.650 174.949 1.701 1 1 922 . 16 1 1 A 92 92 PHE CA C 92 56.760 56.853 -0.093 1 1 923 . 16 1 1 A 92 92 PHE CB C 92 41.690 40.354 1.336 1 1 924 . 16 1 1 A 92 92 PHE N N 92 119.490 121.298 -1.808 1 1 925 . 16 1 1 A 93 93 ARG H H 93 9.846 9.366 0.480 1 1 926 . 16 1 1 A 93 93 ARG HA H 93 5.610 5.109 0.501 1 1 934 . 16 1 1 A 93 93 ARG C C 93 175.010 175.033 -0.023 1 1 935 . 16 1 1 A 93 93 ARG CA C 93 54.580 54.968 -0.388 1 1 936 . 16 1 1 A 93 93 ARG CB C 93 34.220 32.787 1.433 1 1 937 . 16 1 1 A 93 93 ARG N N 93 127.300 123.869 3.431 1 1 939 . 16 1 1 A 94 94 ILE H H 94 8.521 9.207 -0.686 1 1 940 . 16 1 1 A 94 94 ILE HA H 94 4.410 4.917 -0.507 1 1 950 . 16 1 1 A 94 94 ILE C C 94 176.420 174.946 1.474 1 1 951 . 16 1 1 A 94 94 ILE CA C 94 61.130 60.173 0.957 1 1 952 . 16 1 1 A 94 94 ILE CB C 94 38.830 38.569 0.261 1 1 953 . 16 1 1 A 94 94 ILE N N 94 121.680 124.986 -3.306 1 1 954 . 16 1 1 A 95 95 ASN H H 95 8.847 8.948 -0.101 1 1 955 . 16 1 1 A 95 95 ASN HA H 95 4.796 5.012 -0.216 1 1 960 . 16 1 1 A 95 95 ASN C C 95 174.430 175.488 -1.058 1 1 961 . 16 1 1 A 95 95 ASN CA C 95 52.560 51.836 0.724 1 1 962 . 16 1 1 A 95 95 ASN CB C 95 40.510 40.996 -0.486 1 1 963 . 16 1 1 A 95 95 ASN N N 95 127.100 125.101 1.999 1 1 965 . 16 1 1 A 96 96 GLU H H 96 9.303 9.405 -0.102 1 1 966 . 16 1 1 A 96 96 GLU HA H 96 3.768 3.925 -0.157 1 1 971 . 16 1 1 A 96 96 GLU C C 96 176.280 175.614 0.666 1 1 972 . 16 1 1 A 96 96 GLU CA C 96 57.150 57.317 -0.167 1 1 973 . 16 1 1 A 96 96 GLU CB C 96 27.590 28.311 -0.721 1 1 974 . 16 1 1 A 96 96 GLU N N 96 125.150 123.765 1.385 1 1 975 . 16 1 1 A 97 97 GLY H H 97 7.937 8.564 -0.627 1 1 976 . 16 1 1 A 97 97 GLY HA2 H 97 4.042 3.666 0.376 1 1 977 . 16 1 1 A 97 97 GLY HA3 H 97 3.450 3.781 -0.331 1 1 978 . 16 1 1 A 97 97 GLY C C 97 172.990 173.588 -0.598 1 1 979 . 16 1 1 A 97 97 GLY CA C 97 45.390 45.224 0.166 1 1 980 . 16 1 1 A 97 97 GLY N N 97 104.330 104.923 -0.593 1 1 981 . 16 1 1 A 98 98 GLU H H 98 7.557 8.035 -0.478 1 1 982 . 16 1 1 A 98 98 GLU HA H 98 4.591 4.709 -0.118 1 1 987 . 16 1 1 A 98 98 GLU C C 98 174.530 175.544 -1.014 1 1 988 . 16 1 1 A 98 98 GLU CA C 98 54.770 54.779 -0.009 1 1 989 . 16 1 1 A 98 98 GLU CB C 98 32.290 31.621 0.669 1 1 990 . 16 1 1 A 98 98 GLU N N 98 119.350 120.333 -0.983 1 1 991 . 16 1 1 A 99 99 PHE H H 99 9.412 9.065 0.347 1 1 992 . 16 1 1 A 99 99 PHE HA H 99 5.007 5.285 -0.278 1 1 999 . 16 1 1 A 99 99 PHE C C 99 174.050 175.341 -1.291 1 1 1000 . 16 1 1 A 99 99 PHE CA C 99 57.260 56.887 0.373 1 1 1001 . 16 1 1 A 99 99 PHE CB C 99 42.110 40.988 1.122 1 1 1002 . 16 1 1 A 99 99 PHE N N 99 122.550 121.521 1.029 1 1 1003 . 16 1 1 A 100 100 GLU H H 100 9.444 9.592 -0.148 1 1 1004 . 16 1 1 A 100 100 GLU HA H 100 5.145 5.085 0.060 1 1 1009 . 16 1 1 A 100 100 GLU C C 100 175.340 174.602 0.738 1 1 1010 . 16 1 1 A 100 100 GLU CA C 100 54.080 54.630 -0.550 1 1 1011 . 16 1 1 A 100 100 GLU CB C 100 34.720 33.583 1.137 1 1 1012 . 16 1 1 A 100 100 GLU N N 100 124.080 121.057 3.023 1 1 1013 . 16 1 1 A 101 101 VAL H H 101 8.726 9.081 -0.355 1 1 1014 . 16 1 1 A 101 101 VAL HA H 101 4.900 4.590 0.310 1 1 1022 . 16 1 1 A 101 101 VAL C C 101 172.510 175.090 -2.580 1 1 1023 . 16 1 1 A 101 101 VAL CA C 101 58.710 61.560 -2.850 1 1 1024 . 16 1 1 A 101 101 VAL CB C 101 33.550 33.028 0.522 1 1 1025 . 16 1 1 A 101 101 VAL N N 101 124.500 123.552 0.948 1 1 1026 . 16 1 1 A 102 102 VAL H H 102 8.719 9.332 -0.613 1 1 1027 . 16 1 1 A 102 102 VAL HA H 102 4.578 4.610 -0.032 1 1 1035 . 16 1 1 A 102 102 VAL C C 102 175.380 174.355 1.025 1 1 1036 . 16 1 1 A 102 102 VAL CA C 102 60.370 60.685 -0.315 1 1 1037 . 16 1 1 A 102 102 VAL CB C 102 36.060 34.520 1.540 1 1 1038 . 16 1 1 A 102 102 VAL N N 102 125.900 127.876 -1.976 1 1 1039 . 16 1 1 A 103 103 ASP H H 103 8.626 9.563 -0.937 1 1 1040 . 16 1 1 A 103 103 ASP HA H 103 4.856 4.661 0.195 1 1 1043 . 16 1 1 A 103 103 ASP C C 103 177.300 176.865 0.435 1 1 1044 . 16 1 1 A 103 103 ASP CA C 103 54.580 53.989 0.591 1 1 1045 . 16 1 1 A 103 103 ASP CB C 103 44.210 40.892 3.318 1 1 1046 . 16 1 1 A 103 103 ASP N N 103 127.250 127.153 0.097 1 1 1047 . 16 1 1 A 104 104 VAL H H 104 7.890 8.025 -0.135 1 1 1048 . 16 1 1 A 104 104 VAL HA H 104 4.527 4.451 0.076 1 1 1056 . 16 1 1 A 104 104 VAL C C 104 174.490 176.592 -2.102 1 1 1057 . 16 1 1 A 104 104 VAL CA C 104 60.630 61.167 -0.537 1 1 1058 . 16 1 1 A 104 104 VAL CB C 104 29.350 32.077 -2.727 1 1 1059 . 16 1 1 A 104 104 VAL N N 104 119.270 119.946 -0.676 1 1 1060 . 16 1 1 A 105 105 GLY H H 105 8.690 8.103 0.587 1 1 1061 . 16 1 1 A 105 105 GLY HA2 H 105 4.270 3.873 0.397 1 1 1062 . 16 1 1 A 105 105 GLY HA3 H 105 3.685 3.932 -0.247 1 1 1063 . 16 1 1 A 105 105 GLY C C 105 175.490 175.544 -0.054 1 1 1064 . 16 1 1 A 105 105 GLY CA C 105 45.650 45.678 -0.028 1 1 1065 . 16 1 1 A 105 105 GLY N N 105 111.790 111.790 0.000 1 1 1066 . 16 1 1 A 106 106 SER H H 106 9.218 8.814 0.404 1 1 1067 . 16 1 1 A 106 106 SER HA H 106 3.894 4.428 -0.534 1 1 1070 . 16 1 1 A 106 106 SER C C 106 174.590 175.098 -0.508 1 1 1071 . 16 1 1 A 106 106 SER CA C 106 58.600 59.982 -1.382 1 1 1072 . 16 1 1 A 106 106 SER CB C 106 61.250 61.524 -0.274 1 1 1073 . 16 1 1 A 106 106 SER N N 106 121.540 113.629 7.911 1 1 1074 . 16 1 1 A 107 107 LEU H H 107 8.018 8.508 -0.490 1 1 1075 . 16 1 1 A 107 107 LEU HA H 107 4.240 4.024 0.216 1 1 1085 . 16 1 1 A 107 107 LEU C C 107 179.420 178.387 1.033 1 1 1086 . 16 1 1 A 107 107 LEU CA C 107 57.590 57.075 0.515 1 1 1087 . 16 1 1 A 107 107 LEU CB C 107 42.360 41.665 0.695 1 1 1088 . 16 1 1 A 107 107 LEU N N 107 121.520 121.082 0.438 1 1 1089 . 16 1 1 A 108 108 ASN H H 108 8.799 7.703 1.096 1 1 1090 . 16 1 1 A 108 108 ASN HA H 108 4.986 4.553 0.433 1 1 1093 . 16 1 1 A 108 108 ASN C C 108 175.950 175.955 -0.005 1 1 1094 . 16 1 1 A 108 108 ASN CA C 108 54.440 52.316 2.124 1 1 1095 . 16 1 1 A 108 108 ASN CB C 108 41.180 38.390 2.790 1 1 1096 . 16 1 1 A 108 108 ASN N N 108 111.800 113.692 -1.892 1 1 1097 . 16 1 1 A 109 109 GLY H H 109 8.025 7.713 0.312 1 1 1098 . 16 1 1 A 109 109 GLY HA2 H 109 4.237 3.657 0.580 1 1 1099 . 16 1 1 A 109 109 GLY HA3 H 109 3.621 3.704 -0.083 1 1 1100 . 16 1 1 A 109 109 GLY C C 109 173.820 174.352 -0.532 1 1 1101 . 16 1 1 A 109 109 GLY CA C 109 44.340 46.613 -2.273 1 1 1102 . 16 1 1 A 109 109 GLY N N 109 110.600 109.291 1.309 1 1 1103 . 16 1 1 A 110 110 THR H H 110 8.770 8.652 0.118 1 1 1104 . 16 1 1 A 110 110 THR HA H 110 4.797 4.183 0.614 1 1 1109 . 16 1 1 A 110 110 THR C C 110 172.570 173.686 -1.116 1 1 1110 . 16 1 1 A 110 110 THR CA C 110 64.540 63.152 1.388 1 1 1111 . 16 1 1 A 110 110 THR CB C 110 70.230 69.217 1.013 1 1 1112 . 16 1 1 A 110 110 THR N N 110 121.240 114.724 6.516 1 1 1113 . 16 1 1 A 111 111 TYR H H 111 8.272 8.925 -0.653 1 1 1114 . 16 1 1 A 111 111 TYR HA H 111 5.155 5.710 -0.555 1 1 1121 . 16 1 1 A 111 111 TYR C C 111 175.860 174.566 1.294 1 1 1122 . 16 1 1 A 111 111 TYR CA C 111 55.820 56.713 -0.893 1 1 1123 . 16 1 1 A 111 111 TYR CB C 111 41.100 40.592 0.508 1 1 1124 . 16 1 1 A 111 111 TYR N N 111 123.680 126.471 -2.791 1 1 1125 . 16 1 1 A 112 112 VAL H H 112 9.017 9.065 -0.048 1 1 1126 . 16 1 1 A 112 112 VAL HA H 112 4.951 4.633 0.318 1 1 1134 . 16 1 1 A 112 112 VAL C C 112 176.780 175.762 1.018 1 1 1135 . 16 1 1 A 112 112 VAL CA C 112 61.130 60.891 0.239 1 1 1136 . 16 1 1 A 112 112 VAL CB C 112 32.870 33.981 -1.111 1 1 1137 . 16 1 1 A 112 112 VAL N N 112 121.300 123.391 -2.091 1 1 1138 . 16 1 1 A 113 113 ASN H H 113 10.285 9.838 0.447 1 1 1139 . 16 1 1 A 113 113 ASN HA H 113 4.483 4.477 0.006 1 1 1144 . 16 1 1 A 113 113 ASN C C 113 174.590 174.439 0.151 1 1 1145 . 16 1 1 A 113 113 ASN CA C 113 55.160 54.709 0.451 1 1 1146 . 16 1 1 A 113 113 ASN CB C 113 37.240 36.866 0.374 1 1 1147 . 16 1 1 A 113 113 ASN N N 113 129.510 127.226 2.284 1 1 1149 . 16 1 1 A 114 114 ARG H H 114 9.459 8.454 1.005 1 1 1150 . 16 1 1 A 114 114 ARG HA H 114 3.659 3.898 -0.239 1 1 1158 . 16 1 1 A 114 114 ARG C C 114 174.900 174.938 -0.038 1 1 1159 . 16 1 1 A 114 114 ARG CA C 114 58.280 57.637 0.643 1 1 1160 . 16 1 1 A 114 114 ARG CB C 114 27.250 27.618 -0.368 1 1 1161 . 16 1 1 A 114 114 ARG N N 114 106.570 109.351 -2.781 1 1 1163 . 16 1 1 A 115 115 GLU H H 115 7.827 8.117 -0.290 1 1 1164 . 16 1 1 A 115 115 GLU HA H 115 5.153 4.824 0.329 1 1 1169 . 16 1 1 A 115 115 GLU C C 115 173.950 174.431 -0.481 1 1 1170 . 16 1 1 A 115 115 GLU CA C 115 52.990 53.142 -0.152 1 1 1171 . 16 1 1 A 115 115 GLU N N 115 119.780 118.616 1.164 1 1 1172 . 16 1 1 A 116 116 PRO HA H 116 3.983 4.659 -0.676 1 1 1177 . 16 1 1 A 116 116 PRO C C 116 177.780 176.048 1.732 1 1 1178 . 16 1 1 A 116 116 PRO CA C 116 62.910 63.344 -0.434 1 1 1179 . 16 1 1 A 116 116 PRO CB C 116 31.200 31.998 -0.798 1 1 1180 . 16 1 1 A 117 117 ARG H H 117 8.414 8.817 -0.403 1 1 1181 . 16 1 1 A 117 117 ARG HA H 117 4.699 4.714 -0.015 1 1 1189 . 16 1 1 A 117 117 ARG C C 117 175.260 175.558 -0.298 1 1 1190 . 16 1 1 A 117 117 ARG CA C 117 52.990 54.344 -1.354 1 1 1191 . 16 1 1 A 117 117 ARG CB C 117 24.560 34.775 -10.215 1 1 1192 . 16 1 1 A 117 117 ARG N N 117 121.900 123.853 -1.953 1 1 1194 . 16 1 1 A 118 118 ASN H H 118 8.741 8.782 -0.041 1 1 1195 . 16 1 1 A 118 118 ASN HA H 118 4.731 4.927 -0.196 1 1 1200 . 16 1 1 A 118 118 ASN C C 118 175.220 175.337 -0.117 1 1 1201 . 16 1 1 A 118 118 ASN CA C 118 55.090 54.368 0.722 1 1 1202 . 16 1 1 A 118 118 ASN CB C 118 38.920 40.758 -1.838 1 1 1203 . 16 1 1 A 118 118 ASN N N 118 120.190 118.043 2.147 1 1 1205 . 16 1 1 A 119 119 ALA H H 119 7.372 7.604 -0.232 1 1 1206 . 16 1 1 A 119 119 ALA HA H 119 5.319 5.103 0.216 1 1 1210 . 16 1 1 A 119 119 ALA C C 119 176.720 175.175 1.545 1 1 1211 . 16 1 1 A 119 119 ALA CA C 119 52.120 51.682 0.438 1 1 1212 . 16 1 1 A 119 119 ALA CB C 119 21.460 22.185 -0.725 1 1 1213 . 16 1 1 A 119 119 ALA N N 119 120.380 117.716 2.664 1 1 1214 . 16 1 1 A 120 120 GLN H H 120 8.787 8.798 -0.011 1 1 1215 . 16 1 1 A 120 120 GLN HA H 120 4.505 4.643 -0.138 1 1 1222 . 16 1 1 A 120 120 GLN C C 120 174.380 174.257 0.123 1 1 1223 . 16 1 1 A 120 120 GLN CA C 120 56.030 55.019 1.011 1 1 1224 . 16 1 1 A 120 120 GLN CB C 120 32.790 32.927 -0.137 1 1 1225 . 16 1 1 A 120 120 GLN N N 120 121.180 121.917 -0.737 1 1 1227 . 16 1 1 A 121 121 VAL H H 121 8.692 8.635 0.057 1 1 1228 . 16 1 1 A 121 121 VAL HA H 121 4.258 4.215 0.043 1 1 1236 . 16 1 1 A 121 121 VAL C C 121 176.510 175.830 0.680 1 1 1237 . 16 1 1 A 121 121 VAL CA C 121 64.140 62.758 1.382 1 1 1238 . 16 1 1 A 121 121 VAL CB C 121 31.700 31.710 -0.010 1 1 1239 . 16 1 1 A 121 121 VAL N N 121 129.930 125.821 4.109 1 1 1240 . 16 1 1 A 122 122 MET H H 122 8.924 8.595 0.329 1 1 1241 . 16 1 1 A 122 122 MET HA H 122 4.419 5.022 -0.603 1 1 1249 . 16 1 1 A 122 122 MET C C 122 174.380 174.810 -0.430 1 1 1250 . 16 1 1 A 122 122 MET CA C 122 55.740 53.925 1.815 1 1 1251 . 16 1 1 A 122 122 MET CB C 122 35.140 33.703 1.437 1 1 1252 . 16 1 1 A 122 122 MET N N 122 129.560 126.267 3.293 1 1 1253 . 16 1 1 A 123 123 GLN H H 123 9.002 8.805 0.197 1 1 1254 . 16 1 1 A 123 123 GLN HA H 123 4.823 5.088 -0.265 1 1 1261 . 16 1 1 A 123 123 GLN C C 123 175.530 175.351 0.179 1 1 1262 . 16 1 1 A 123 123 GLN CA C 123 53.570 53.961 -0.391 1 1 1263 . 16 1 1 A 123 123 GLN CB C 123 32.290 32.217 0.073 1 1 1264 . 16 1 1 A 123 123 GLN N N 123 119.810 123.341 -3.531 1 1 1266 . 16 1 1 A 124 124 THR H H 124 9.036 8.590 0.446 1 1 1267 . 16 1 1 A 124 124 THR HA H 124 4.208 4.281 -0.073 1 1 1272 . 16 1 1 A 124 124 THR C C 124 175.300 175.591 -0.291 1 1 1273 . 16 1 1 A 124 124 THR CA C 124 65.510 63.801 1.709 1 1 1274 . 16 1 1 A 124 124 THR CB C 124 69.560 68.541 1.019 1 1 1275 . 16 1 1 A 124 124 THR N N 124 119.570 119.562 0.008 1 1 1276 . 16 1 1 A 125 125 GLY H H 125 9.921 9.592 0.329 1 1 1277 . 16 1 1 A 125 125 GLY HA2 H 125 4.552 4.002 0.550 1 1 1278 . 16 1 1 A 125 125 GLY HA3 H 125 3.480 4.009 -0.529 1 1 1279 . 16 1 1 A 125 125 GLY C C 125 174.650 174.193 0.457 1 1 1280 . 16 1 1 A 125 125 GLY CA C 125 44.710 45.044 -0.334 1 1 1281 . 16 1 1 A 125 125 GLY N N 125 117.920 116.833 1.087 1 1 1282 . 16 1 1 A 126 126 ASP H H 126 8.638 8.125 0.513 1 1 1283 . 16 1 1 A 126 126 ASP HA H 126 4.876 4.721 0.155 1 1 1286 . 16 1 1 A 126 126 ASP C C 126 174.650 175.772 -1.122 1 1 1287 . 16 1 1 A 126 126 ASP CA C 126 56.140 53.825 2.315 1 1 1288 . 16 1 1 A 126 126 ASP CB C 126 41.690 42.414 -0.724 1 1 1289 . 16 1 1 A 126 126 ASP N N 126 123.190 122.371 0.819 1 1 1290 . 16 1 1 A 127 127 GLU H H 127 8.316 8.742 -0.426 1 1 1291 . 16 1 1 A 127 127 GLU HA H 127 5.341 5.493 -0.152 1 1 1296 . 16 1 1 A 127 127 GLU C C 127 175.990 175.344 0.646 1 1 1297 . 16 1 1 A 127 127 GLU CA C 127 54.440 54.765 -0.325 1 1 1298 . 16 1 1 A 127 127 GLU CB C 127 32.790 32.445 0.345 1 1 1299 . 16 1 1 A 127 127 GLU N N 127 118.480 123.251 -4.771 1 1 1300 . 16 1 1 A 128 128 ILE H H 128 9.910 9.367 0.543 1 1 1301 . 16 1 1 A 128 128 ILE HA H 128 5.334 5.201 0.133 1 1 1311 . 16 1 1 A 128 128 ILE C C 128 174.700 174.474 0.226 1 1 1312 . 16 1 1 A 128 128 ILE CA C 128 59.470 60.343 -0.873 1 1 1313 . 16 1 1 A 128 128 ILE CB C 128 40.600 39.874 0.726 1 1 1314 . 16 1 1 A 128 128 ILE N N 128 128.810 125.037 3.773 1 1 1315 . 16 1 1 A 129 129 GLN H H 129 9.502 9.409 0.093 1 1 1316 . 16 1 1 A 129 129 GLN HA H 129 5.406 5.404 0.002 1 1 1323 . 16 1 1 A 129 129 GLN C C 129 174.950 174.659 0.291 1 1 1324 . 16 1 1 A 129 129 GLN CA C 129 54.800 54.355 0.445 1 1 1325 . 16 1 1 A 129 129 GLN CB C 129 30.690 32.155 -1.465 1 1 1326 . 16 1 1 A 129 129 GLN N N 129 129.270 127.817 1.453 1 1 1328 . 16 1 1 A 130 130 ILE H H 130 8.498 9.047 -0.549 1 1 1329 . 16 1 1 A 130 130 ILE HA H 130 4.116 4.315 -0.199 1 1 1339 . 16 1 1 A 130 130 ILE C C 130 174.860 176.187 -1.327 1 1 1340 . 16 1 1 A 130 130 ILE CA C 130 60.740 59.901 0.839 1 1 1341 . 16 1 1 A 130 130 ILE CB C 130 41.440 39.212 2.228 1 1 1342 . 16 1 1 A 130 130 ILE N N 130 129.070 127.321 1.749 1 1 1343 . 16 1 1 A 131 131 GLY H H 131 9.924 9.131 0.793 1 1 1344 . 16 1 1 A 131 131 GLY HA2 H 131 3.768 3.900 -0.132 1 1 1345 . 16 1 1 A 131 131 GLY HA3 H 131 3.337 4.107 -0.770 1 1 1346 . 16 1 1 A 131 131 GLY C C 131 174.590 174.802 -0.212 1 1 1347 . 16 1 1 A 131 131 GLY CA C 131 46.700 47.518 -0.818 1 1 1348 . 16 1 1 A 131 131 GLY N N 131 116.470 118.393 -1.923 1 1 1349 . 16 1 1 A 132 132 LYS H H 132 7.141 9.531 -2.390 1 1 1350 . 16 1 1 A 132 132 LYS HA H 132 3.750 4.419 -0.669 1 1 1357 . 16 1 1 A 132 132 LYS C C 132 175.820 176.326 -0.506 1 1 1358 . 16 1 1 A 132 132 LYS CA C 132 57.550 56.105 1.445 1 1 1359 . 16 1 1 A 132 132 LYS CB C 132 33.300 32.473 0.827 1 1 1360 . 16 1 1 A 132 132 LYS N N 132 122.960 125.758 -2.798 1 1 1361 . 16 1 1 A 133 133 PHE H H 133 8.360 8.104 0.256 1 1 1362 . 16 1 1 A 133 133 PHE HA H 133 4.601 4.971 -0.370 1 1 1370 . 16 1 1 A 133 133 PHE C C 133 174.910 175.006 -0.096 1 1 1371 . 16 1 1 A 133 133 PHE CA C 133 58.600 58.336 0.264 1 1 1372 . 16 1 1 A 133 133 PHE CB C 133 40.510 40.450 0.060 1 1 1373 . 16 1 1 A 133 133 PHE N N 133 118.170 120.878 -2.708 1 1 1374 . 16 1 1 A 134 134 ARG H H 134 8.698 9.031 -0.333 1 1 1375 . 16 1 1 A 134 134 ARG HA H 134 5.212 4.912 0.300 1 1 1383 . 16 1 1 A 134 134 ARG C C 134 175.150 174.813 0.337 1 1 1384 . 16 1 1 A 134 134 ARG CA C 134 55.060 54.898 0.162 1 1 1385 . 16 1 1 A 134 134 ARG CB C 134 33.550 32.749 0.801 1 1 1386 . 16 1 1 A 134 134 ARG N N 134 120.770 124.328 -3.558 1 1 1388 . 16 1 1 A 135 135 LEU H H 135 9.904 9.666 0.238 1 1 1389 . 16 1 1 A 135 135 LEU HA H 135 5.544 5.339 0.205 1 1 1399 . 16 1 1 A 135 135 LEU C C 135 175.260 175.647 -0.387 1 1 1400 . 16 1 1 A 135 135 LEU CA C 135 53.930 53.640 0.290 1 1 1401 . 16 1 1 A 135 135 LEU CB C 135 45.550 44.854 0.696 1 1 1402 . 16 1 1 A 135 135 LEU N N 135 127.130 128.261 -1.131 1 1 1403 . 16 1 1 A 136 136 VAL H H 136 9.350 9.484 -0.134 1 1 1404 . 16 1 1 A 136 136 VAL HA H 136 5.226 5.086 0.140 1 1 1412 . 16 1 1 A 136 136 VAL C C 136 174.050 173.911 0.139 1 1 1413 . 16 1 1 A 136 136 VAL CA C 136 60.520 60.787 -0.267 1 1 1414 . 16 1 1 A 136 136 VAL CB C 136 34.890 33.909 0.981 1 1 1415 . 16 1 1 A 136 136 VAL N N 136 121.300 122.387 -1.087 1 1 1416 . 16 1 1 A 137 137 PHE H H 137 8.492 9.325 -0.833 1 1 1417 . 16 1 1 A 137 137 PHE HA H 137 5.007 4.949 0.058 1 1 1424 . 16 1 1 A 137 137 PHE C C 137 173.340 173.997 -0.657 1 1 1425 . 16 1 1 A 137 137 PHE CA C 137 57.010 56.474 0.536 1 1 1426 . 16 1 1 A 137 137 PHE CB C 137 41.770 40.973 0.797 1 1 1427 . 16 1 1 A 137 137 PHE N N 137 127.550 128.715 -1.165 1 1 1428 . 16 1 1 A 138 138 LEU H H 138 8.535 8.849 -0.314 1 1 1429 . 16 1 1 A 138 138 LEU HA H 138 4.345 4.741 -0.396 1 1 1439 . 16 1 1 A 138 138 LEU C C 138 173.390 174.735 -1.345 1 1 1440 . 16 1 1 A 138 138 LEU CA C 138 53.680 53.227 0.453 1 1 1441 . 16 1 1 A 138 138 LEU CB C 138 45.210 45.310 -0.100 1 1 1442 . 16 1 1 A 138 138 LEU N N 138 128.590 128.180 0.410 1 1 1443 . 16 1 1 A 139 139 ALA H H 139 7.502 8.945 -1.443 1 1 1444 . 16 1 1 A 139 139 ALA HA H 139 3.952 4.897 -0.945 1 1 1448 . 16 1 1 A 139 139 ALA C C 139 178.010 177.267 0.743 1 1 1449 . 16 1 1 A 139 139 ALA CA C 139 51.650 50.406 1.244 1 1 1450 . 16 1 1 A 139 139 ALA CB C 139 20.700 20.633 0.067 1 1 1451 . 16 1 1 A 139 139 ALA N N 139 123.250 127.267 -4.017 1 1 1452 . 16 1 1 A 140 140 GLY H H 140 7.968 8.396 -0.428 1 1 1453 . 16 1 1 A 140 140 GLY HA2 H 140 4.202 4.159 0.043 1 1 1454 . 16 1 1 A 140 140 GLY HA3 H 140 3.595 4.174 -0.579 1 1 1455 . 16 1 1 A 140 140 GLY C C 140 171.240 171.485 -0.245 1 1 1456 . 16 1 1 A 140 140 GLY CA C 140 44.710 45.656 -0.946 1 1 1457 . 16 1 1 A 140 140 GLY N N 140 108.040 109.670 -1.630 1 1 1458 . 16 1 1 A 141 141 PRO HA H 141 4.460 4.694 -0.234 1 1 1463 . 16 1 1 A 141 141 PRO C C 141 176.150 176.166 -0.016 1 1 1464 . 16 1 1 A 141 141 PRO CA C 141 63.230 62.720 0.510 1 1 1465 . 16 1 1 A 141 141 PRO CB C 141 32.370 32.502 -0.132 1 1 1466 . 16 1 1 A 142 142 ALA H H 142 8.496 8.584 -0.088 1 1 1467 . 16 1 1 A 142 142 ALA HA H 142 4.363 4.576 -0.213 1 1 1471 . 16 1 1 A 142 142 ALA C C 142 177.320 176.275 1.045 1 1 1472 . 16 1 1 A 142 142 ALA CA C 142 52.740 51.655 1.085 1 1 1473 . 16 1 1 A 142 142 ALA CB C 142 19.780 19.714 0.066 1 1 1474 . 16 1 1 A 142 142 ALA N N 142 124.080 122.228 1.852 1 1 4 . 17 1 1 A 2 2 SER H H 2 8.404 7.581 0.823 1 1 5 . 17 1 1 A 2 2 SER HA H 2 4.430 4.230 0.200 1 1 8 . 17 1 1 A 2 2 SER C C 2 174.220 174.385 -0.165 1 1 9 . 17 1 1 A 2 2 SER CA C 2 58.650 60.426 -1.776 1 1 10 . 17 1 1 A 2 2 SER CB C 2 64.280 63.746 0.534 1 1 11 . 17 1 1 A 2 2 SER N N 2 116.880 116.730 0.150 1 1 12 . 17 1 1 A 3 3 ASP H H 3 8.314 8.484 -0.170 1 1 13 . 17 1 1 A 3 3 ASP HA H 3 4.594 4.840 -0.246 1 1 16 . 17 1 1 A 3 3 ASP C C 3 176.070 175.976 0.094 1 1 17 . 17 1 1 A 3 3 ASP CA C 3 54.580 52.354 2.226 1 1 18 . 17 1 1 A 3 3 ASP CB C 3 41.530 41.340 0.190 1 1 19 . 17 1 1 A 3 3 ASP N N 3 122.210 126.083 -3.873 1 1 20 . 17 1 1 A 4 4 ASN H H 4 8.326 8.546 -0.220 1 1 21 . 17 1 1 A 4 4 ASN HA H 4 4.748 4.808 -0.060 1 1 24 . 17 1 1 A 4 4 ASN C C 4 175.130 173.961 1.169 1 1 25 . 17 1 1 A 4 4 ASN CA C 4 53.430 53.108 0.322 1 1 26 . 17 1 1 A 4 4 ASN CB C 4 38.920 38.114 0.806 1 1 27 . 17 1 1 A 4 4 ASN N N 4 118.670 117.281 1.389 1 1 28 . 17 1 1 A 5 5 ASN H H 5 8.467 8.614 -0.147 1 1 29 . 17 1 1 A 5 5 ASN HA H 5 4.702 4.991 -0.289 1 1 32 . 17 1 1 A 5 5 ASN C C 5 175.700 175.304 0.396 1 1 33 . 17 1 1 A 5 5 ASN CA C 5 53.610 52.038 1.572 1 1 34 . 17 1 1 A 5 5 ASN CB C 5 39.090 38.587 0.503 1 1 35 . 17 1 1 A 5 5 ASN N N 5 119.070 124.181 -5.111 1 1 36 . 17 1 1 A 6 6 GLY H H 6 8.333 8.950 -0.617 1 1 37 . 17 1 1 A 6 6 GLY HA2 H 6 3.960 4.141 -0.181 1 1 38 . 17 1 1 A 6 6 GLY HA3 H 6 3.960 4.145 -0.185 1 1 39 . 17 1 1 A 6 6 GLY C C 6 174.050 172.840 1.210 1 1 40 . 17 1 1 A 6 6 GLY CA C 6 45.390 43.836 1.554 1 1 41 . 17 1 1 A 6 6 GLY N N 6 109.000 113.116 -4.116 1 1 42 . 17 1 1 A 7 7 THR H H 7 8.076 8.762 -0.686 1 1 43 . 17 1 1 A 7 7 THR HA H 7 4.591 4.765 -0.174 1 1 48 . 17 1 1 A 7 7 THR C C 7 172.840 172.614 0.226 1 1 49 . 17 1 1 A 7 7 THR CA C 7 60.050 59.083 0.967 1 1 50 . 17 1 1 A 7 7 THR N N 7 116.910 114.952 1.958 1 1 51 . 17 1 1 A 8 8 PRO HA H 8 4.414 4.584 -0.170 1 1 54 . 17 1 1 A 8 8 PRO C C 8 176.690 176.623 0.067 1 1 55 . 17 1 1 A 8 8 PRO CA C 8 63.090 62.724 0.366 1 1 56 . 17 1 1 A 8 8 PRO CB C 8 32.290 32.085 0.205 1 1 57 . 17 1 1 A 9 9 GLU H H 9 8.467 8.653 -0.186 1 1 58 . 17 1 1 A 9 9 GLU HA H 9 4.527 4.608 -0.081 1 1 63 . 17 1 1 A 9 9 GLU C C 9 174.680 174.884 -0.204 1 1 64 . 17 1 1 A 9 9 GLU CA C 9 54.550 54.031 0.519 1 1 65 . 17 1 1 A 9 9 GLU N N 9 122.910 121.799 1.111 1 1 66 . 17 1 1 A 10 10 PRO HA H 10 4.371 4.475 -0.104 1 1 71 . 17 1 1 A 10 10 PRO C C 10 176.820 176.098 0.722 1 1 72 . 17 1 1 A 10 10 PRO CA C 10 63.300 63.222 0.078 1 1 73 . 17 1 1 A 10 10 PRO CB C 10 32.290 31.608 0.682 1 1 74 . 17 1 1 A 11 11 GLN H H 11 8.543 8.727 -0.184 1 1 75 . 17 1 1 A 11 11 GLN HA H 11 4.334 4.867 -0.533 1 1 82 . 17 1 1 A 11 11 GLN C C 11 176.010 175.178 0.832 1 1 83 . 17 1 1 A 11 11 GLN CA C 11 55.710 54.828 0.882 1 1 84 . 17 1 1 A 11 11 GLN CB C 11 29.520 31.206 -1.686 1 1 85 . 17 1 1 A 11 11 GLN N N 11 121.100 123.968 -2.868 1 1 87 . 17 1 1 A 12 12 VAL H H 12 8.201 8.266 -0.065 1 1 88 . 17 1 1 A 12 12 VAL HA H 12 4.144 4.745 -0.601 1 1 96 . 17 1 1 A 12 12 VAL C C 12 175.940 174.944 0.996 1 1 97 . 17 1 1 A 12 12 VAL CA C 12 62.110 61.480 0.630 1 1 98 . 17 1 1 A 12 12 VAL CB C 12 32.800 32.456 0.344 1 1 99 . 17 1 1 A 12 12 VAL N N 12 122.070 120.763 1.307 1 1 100 . 17 1 1 A 13 13 GLU H H 13 8.593 8.576 0.017 1 1 101 . 17 1 1 A 13 13 GLU HA H 13 4.329 4.709 -0.380 1 1 106 . 17 1 1 A 13 13 GLU C C 13 176.720 174.380 2.340 1 1 107 . 17 1 1 A 13 13 GLU CA C 13 56.830 56.158 0.672 1 1 108 . 17 1 1 A 13 13 GLU CB C 13 30.860 34.319 -3.459 1 1 109 . 17 1 1 A 13 13 GLU N N 13 124.660 125.694 -1.034 1 1 138 . 17 1 1 A 17 17 VAL H H 17 8.458 8.840 -0.382 1 1 139 . 17 1 1 A 17 17 VAL HA H 17 4.183 4.943 -0.760 1 1 147 . 17 1 1 A 17 17 VAL C C 17 175.950 175.580 0.370 1 1 148 . 17 1 1 A 17 17 VAL CA C 17 63.780 61.545 2.235 1 1 149 . 17 1 1 A 17 17 VAL CB C 17 32.460 32.030 0.430 1 1 150 . 17 1 1 A 17 17 VAL N N 17 124.860 125.333 -0.473 1 1 151 . 17 1 1 A 18 18 PHE H H 18 8.579 8.736 -0.157 1 1 152 . 17 1 1 A 18 18 PHE HA H 18 4.650 5.617 -0.967 1 1 160 . 17 1 1 A 18 18 PHE C C 18 173.450 174.567 -1.117 1 1 161 . 17 1 1 A 18 18 PHE CA C 18 57.480 55.329 2.151 1 1 162 . 17 1 1 A 18 18 PHE CB C 18 41.950 41.252 0.698 1 1 163 . 17 1 1 A 18 18 PHE N N 18 127.160 124.360 2.800 1 1 164 . 17 1 1 A 19 19 ARG H H 19 7.920 9.040 -1.120 1 1 165 . 17 1 1 A 19 19 ARG HA H 19 4.196 5.017 -0.821 1 1 170 . 17 1 1 A 19 19 ARG C C 19 174.930 175.564 -0.634 1 1 171 . 17 1 1 A 19 19 ARG CA C 19 54.800 55.239 -0.439 1 1 172 . 17 1 1 A 19 19 ARG CB C 19 30.610 31.552 -0.942 1 1 173 . 17 1 1 A 19 19 ARG N N 19 127.500 121.057 6.443 1 1 174 . 17 1 1 A 20 20 ALA H H 20 8.067 8.629 -0.562 1 1 175 . 17 1 1 A 20 20 ALA HA H 20 3.729 4.803 -1.074 1 1 179 . 17 1 1 A 20 20 ALA C C 20 177.630 177.844 -0.214 1 1 180 . 17 1 1 A 20 20 ALA CA C 20 53.280 50.055 3.225 1 1 181 . 17 1 1 A 20 20 ALA CB C 20 18.860 22.515 -3.655 1 1 182 . 17 1 1 A 20 20 ALA N N 20 126.460 128.169 -1.709 1 1 183 . 17 1 1 A 21 21 ASP H H 21 8.355 8.955 -0.600 1 1 184 . 17 1 1 A 21 21 ASP HA H 21 4.350 4.465 -0.115 1 1 187 . 17 1 1 A 21 21 ASP C C 21 176.720 177.969 -1.249 1 1 188 . 17 1 1 A 21 21 ASP CA C 21 54.480 55.665 -1.185 1 1 189 . 17 1 1 A 21 21 ASP CB C 21 40.350 40.973 -0.623 1 1 190 . 17 1 1 A 21 21 ASP N N 21 117.850 121.150 -3.300 1 1 191 . 17 1 1 A 22 22 LEU H H 22 7.705 7.848 -0.143 1 1 192 . 17 1 1 A 22 22 LEU HA H 22 4.088 4.022 0.066 1 1 202 . 17 1 1 A 22 22 LEU C C 22 177.760 177.986 -0.226 1 1 203 . 17 1 1 A 22 22 LEU CA C 22 55.780 57.915 -2.135 1 1 204 . 17 1 1 A 22 22 LEU CB C 22 41.860 41.359 0.501 1 1 205 . 17 1 1 A 22 22 LEU N N 22 121.600 118.208 3.392 1 1 206 . 17 1 1 A 23 23 LEU H H 23 7.717 7.252 0.465 1 1 207 . 17 1 1 A 23 23 LEU HA H 23 4.166 3.977 0.189 1 1 217 . 17 1 1 A 23 23 LEU C C 23 177.840 178.993 -1.153 1 1 218 . 17 1 1 A 23 23 LEU CA C 23 55.960 56.536 -0.576 1 1 219 . 17 1 1 A 23 23 LEU CB C 23 41.950 41.798 0.152 1 1 220 . 17 1 1 A 23 23 LEU N N 23 120.360 118.917 1.443 1 1 221 . 17 1 1 A 24 24 LYS H H 24 7.933 8.213 -0.280 1 1 222 . 17 1 1 A 24 24 LYS HA H 24 4.174 3.850 0.324 1 1 229 . 17 1 1 A 24 24 LYS C C 24 177.190 178.712 -1.522 1 1 230 . 17 1 1 A 24 24 LYS CA C 24 57.050 59.883 -2.833 1 1 231 . 17 1 1 A 24 24 LYS CB C 24 32.880 32.237 0.643 1 1 232 . 17 1 1 A 24 24 LYS N N 24 121.120 121.077 0.043 1 1 233 . 17 1 1 A 25 25 GLU H H 25 8.160 8.459 -0.299 1 1 234 . 17 1 1 A 25 25 GLU HA H 25 4.199 4.079 0.120 1 1 239 . 17 1 1 A 25 25 GLU C C 25 176.900 178.200 -1.300 1 1 240 . 17 1 1 A 25 25 GLU CA C 25 57.010 59.506 -2.496 1 1 241 . 17 1 1 A 25 25 GLU CB C 25 30.280 28.964 1.316 1 1 242 . 17 1 1 A 25 25 GLU N N 25 121.550 117.392 4.158 1 1 243 . 17 1 1 A 26 26 MET H H 26 8.270 8.011 0.259 1 1 244 . 17 1 1 A 26 26 MET HA H 26 4.360 4.197 0.163 1 1 252 . 17 1 1 A 26 26 MET C C 26 176.440 178.816 -2.376 1 1 253 . 17 1 1 A 26 26 MET CA C 26 56.180 58.172 -1.992 1 1 254 . 17 1 1 A 26 26 MET CB C 26 33.050 32.299 0.751 1 1 255 . 17 1 1 A 26 26 MET N N 26 120.730 118.131 2.599 1 1 256 . 17 1 1 A 27 27 GLU H H 27 8.297 7.963 0.334 1 1 257 . 17 1 1 A 27 27 GLU HA H 27 4.264 3.997 0.267 1 1 262 . 17 1 1 A 27 27 GLU C C 27 176.650 179.123 -2.473 1 1 263 . 17 1 1 A 27 27 GLU CA C 27 56.830 59.148 -2.318 1 1 264 . 17 1 1 A 27 27 GLU CB C 27 30.530 29.398 1.132 1 1 265 . 17 1 1 A 27 27 GLU N N 27 121.650 122.090 -0.440 1 1 266 . 17 1 1 A 28 28 SER H H 28 8.279 8.152 0.127 1 1 267 . 17 1 1 A 28 28 SER HA H 28 4.473 4.168 0.305 1 1 270 . 17 1 1 A 28 28 SER C C 28 174.760 175.212 -0.452 1 1 271 . 17 1 1 A 28 28 SER CA C 28 58.460 61.463 -3.003 1 1 272 . 17 1 1 A 28 28 SER CB C 28 64.190 63.141 1.049 1 1 273 . 17 1 1 A 28 28 SER N N 28 116.610 117.752 -1.142 1 1 274 . 17 1 1 A 29 29 SER H H 29 8.443 7.871 0.572 1 1 275 . 17 1 1 A 29 29 SER HA H 29 4.541 4.418 0.123 1 1 278 . 17 1 1 A 29 29 SER C C 29 174.950 173.977 0.973 1 1 279 . 17 1 1 A 29 29 SER CA C 29 58.530 60.225 -1.695 1 1 280 . 17 1 1 A 29 29 SER CB C 29 64.190 63.862 0.328 1 1 281 . 17 1 1 A 29 29 SER N N 29 118.290 114.658 3.632 1 1 282 . 17 1 1 A 30 30 THR H H 30 8.220 7.686 0.534 1 1 283 . 17 1 1 A 30 30 THR HA H 30 4.372 4.519 -0.147 1 1 288 . 17 1 1 A 30 30 THR C C 30 175.280 174.517 0.763 1 1 289 . 17 1 1 A 30 30 THR CA C 30 62.260 61.303 0.957 1 1 290 . 17 1 1 A 30 30 THR CB C 30 69.900 68.294 1.606 1 1 291 . 17 1 1 A 30 30 THR N N 30 115.600 114.354 1.246 1 1 292 . 17 1 1 A 31 31 GLY H H 31 8.401 8.546 -0.145 1 1 293 . 17 1 1 A 31 31 GLY HA2 H 31 4.005 4.106 -0.101 1 1 294 . 17 1 1 A 31 31 GLY HA3 H 31 4.005 4.108 -0.103 1 1 295 . 17 1 1 A 31 31 GLY C C 31 174.160 173.851 0.309 1 1 296 . 17 1 1 A 31 31 GLY CA C 31 45.470 45.572 -0.102 1 1 297 . 17 1 1 A 31 31 GLY N N 31 111.270 115.055 -3.785 1 1 298 . 17 1 1 A 32 32 THR H H 32 8.034 7.779 0.255 1 1 299 . 17 1 1 A 32 32 THR HA H 32 4.319 4.939 -0.620 1 1 304 . 17 1 1 A 32 32 THR C C 32 174.130 173.317 0.813 1 1 305 . 17 1 1 A 32 32 THR CA C 32 61.710 60.963 0.747 1 1 306 . 17 1 1 A 32 32 THR CB C 32 70.150 71.495 -1.345 1 1 307 . 17 1 1 A 32 32 THR N N 32 113.770 114.535 -0.765 1 1 308 . 17 1 1 A 33 33 ALA H H 33 8.410 8.808 -0.398 1 1 309 . 17 1 1 A 33 33 ALA HA H 33 4.581 4.893 -0.312 1 1 313 . 17 1 1 A 33 33 ALA C C 33 175.490 175.231 0.259 1 1 314 . 17 1 1 A 33 33 ALA CA C 33 50.680 49.257 1.423 1 1 315 . 17 1 1 A 33 33 ALA N N 33 128.320 126.952 1.368 1 1 316 . 17 1 1 A 34 34 PRO HA H 34 4.389 4.657 -0.268 1 1 321 . 17 1 1 A 34 34 PRO C C 34 176.650 176.405 0.245 1 1 322 . 17 1 1 A 34 34 PRO CA C 34 63.090 62.624 0.466 1 1 323 . 17 1 1 A 34 34 PRO CB C 34 32.210 32.333 -0.123 1 1 324 . 17 1 1 A 35 35 ALA H H 35 8.433 8.422 0.011 1 1 325 . 17 1 1 A 35 35 ALA HA H 35 4.275 5.025 -0.750 1 1 329 . 17 1 1 A 35 35 ALA C C 35 177.730 175.417 2.313 1 1 330 . 17 1 1 A 35 35 ALA CA C 35 52.590 50.828 1.762 1 1 331 . 17 1 1 A 35 35 ALA CB C 35 19.450 23.242 -3.792 1 1 332 . 17 1 1 A 35 35 ALA N N 35 124.330 122.831 1.499 1 1 333 . 17 1 1 A 36 36 SER H H 36 8.259 8.918 -0.659 1 1 334 . 17 1 1 A 36 36 SER HA H 36 4.474 5.209 -0.735 1 1 337 . 17 1 1 A 36 36 SER C C 36 174.860 173.248 1.612 1 1 338 . 17 1 1 A 36 36 SER CA C 36 58.130 57.477 0.653 1 1 339 . 17 1 1 A 36 36 SER CB C 36 64.190 66.158 -1.968 1 1 340 . 17 1 1 A 36 36 SER N N 36 114.560 116.792 -2.232 1 1 341 . 17 1 1 A 37 37 THR H H 37 8.325 8.590 -0.265 1 1 342 . 17 1 1 A 37 37 THR HA H 37 4.281 4.073 0.208 1 1 346 . 17 1 1 A 37 37 THR C C 37 175.110 175.610 -0.500 1 1 347 . 17 1 1 A 37 37 THR CA C 37 62.260 64.668 -2.408 1 1 348 . 17 1 1 A 37 37 THR CB C 37 70.150 68.267 1.883 1 1 349 . 17 1 1 A 37 37 THR N N 37 115.300 120.576 -5.276 1 1 350 . 17 1 1 A 38 38 GLY H H 38 8.511 8.856 -0.345 1 1 351 . 17 1 1 A 38 38 GLY HA2 H 38 3.975 4.022 -0.047 1 1 352 . 17 1 1 A 38 38 GLY HA3 H 38 3.809 4.024 -0.215 1 1 353 . 17 1 1 A 38 38 GLY C C 38 174.470 175.793 -1.323 1 1 354 . 17 1 1 A 38 38 GLY CA C 38 45.470 45.364 0.106 1 1 355 . 17 1 1 A 38 38 GLY N N 38 110.440 115.536 -5.096 1 1 356 . 17 1 1 A 39 39 ALA H H 39 8.245 7.846 0.399 1 1 357 . 17 1 1 A 39 39 ALA HA H 39 4.164 3.994 0.170 1 1 361 . 17 1 1 A 39 39 ALA C C 39 177.590 179.018 -1.428 1 1 362 . 17 1 1 A 39 39 ALA CA C 39 52.560 54.968 -2.408 1 1 363 . 17 1 1 A 39 39 ALA CB C 39 19.360 18.900 0.460 1 1 364 . 17 1 1 A 39 39 ALA N N 39 124.080 124.437 -0.357 1 1 365 . 17 1 1 A 40 40 GLU H H 40 8.721 8.245 0.476 1 1 366 . 17 1 1 A 40 40 GLU HA H 40 4.083 4.242 -0.159 1 1 371 . 17 1 1 A 40 40 GLU C C 40 176.320 177.928 -1.608 1 1 372 . 17 1 1 A 40 40 GLU CA C 40 57.910 56.865 1.045 1 1 373 . 17 1 1 A 40 40 GLU CB C 40 29.520 29.608 -0.088 1 1 374 . 17 1 1 A 40 40 GLU N N 40 118.270 115.384 2.886 1 1 375 . 17 1 1 A 41 41 ASN H H 41 8.226 7.719 0.507 1 1 376 . 17 1 1 A 41 41 ASN HA H 41 4.716 4.809 -0.093 1 1 381 . 17 1 1 A 41 41 ASN C C 41 174.800 175.088 -0.288 1 1 382 . 17 1 1 A 41 41 ASN CA C 41 52.880 54.779 -1.899 1 1 383 . 17 1 1 A 41 41 ASN CB C 41 38.840 39.534 -0.694 1 1 384 . 17 1 1 A 41 41 ASN N N 41 117.620 118.831 -1.211 1 1 386 . 17 1 1 A 42 42 LEU H H 42 7.629 7.768 -0.139 1 1 387 . 17 1 1 A 42 42 LEU HA H 42 4.418 4.044 0.374 1 1 397 . 17 1 1 A 42 42 LEU C C 42 174.610 176.935 -2.325 1 1 398 . 17 1 1 A 42 42 LEU CA C 42 53.170 55.413 -2.243 1 1 399 . 17 1 1 A 42 42 LEU N N 42 123.010 118.724 4.286 1 1 400 . 17 1 1 A 43 43 PRO HA H 43 4.366 4.336 0.030 1 1 407 . 17 1 1 A 43 43 PRO C C 43 177.050 178.686 -1.636 1 1 408 . 17 1 1 A 43 43 PRO CA C 43 62.260 66.133 -3.873 1 1 409 . 17 1 1 A 43 43 PRO CB C 43 32.380 31.237 1.143 1 1 410 . 17 1 1 A 44 44 ALA H H 44 8.552 7.601 0.951 1 1 411 . 17 1 1 A 44 44 ALA HA H 44 4.223 4.294 -0.071 1 1 415 . 17 1 1 A 44 44 ALA C C 44 179.500 177.970 1.530 1 1 416 . 17 1 1 A 44 44 ALA CA C 44 53.250 52.243 1.007 1 1 417 . 17 1 1 A 44 44 ALA CB C 44 18.190 19.557 -1.367 1 1 418 . 17 1 1 A 44 44 ALA N N 44 125.070 118.577 6.493 1 1 419 . 17 1 1 A 45 45 GLY H H 45 8.897 9.039 -0.142 1 1 420 . 17 1 1 A 45 45 GLY HA2 H 45 4.214 3.972 0.242 1 1 421 . 17 1 1 A 45 45 GLY HA3 H 45 3.833 3.997 -0.164 1 1 422 . 17 1 1 A 45 45 GLY C C 45 173.720 173.519 0.201 1 1 423 . 17 1 1 A 45 45 GLY CA C 45 45.790 45.452 0.338 1 1 424 . 17 1 1 A 45 45 GLY N N 45 110.600 108.483 2.117 1 1 425 . 17 1 1 A 46 46 SER H H 46 7.690 7.941 -0.251 1 1 426 . 17 1 1 A 46 46 SER HA H 46 5.338 5.173 0.165 1 1 429 . 17 1 1 A 46 46 SER C C 46 172.990 172.588 0.402 1 1 430 . 17 1 1 A 46 46 SER CA C 46 57.810 57.666 0.144 1 1 431 . 17 1 1 A 46 46 SER CB C 46 66.960 67.115 -0.155 1 1 432 . 17 1 1 A 46 46 SER N N 46 114.180 116.110 -1.930 1 1 433 . 17 1 1 A 47 47 ALA H H 47 8.435 8.763 -0.328 1 1 434 . 17 1 1 A 47 47 ALA HA H 47 4.338 4.919 -0.581 1 1 438 . 17 1 1 A 47 47 ALA C C 47 173.840 175.705 -1.865 1 1 439 . 17 1 1 A 47 47 ALA CA C 47 51.690 50.940 0.750 1 1 440 . 17 1 1 A 47 47 ALA CB C 47 24.570 22.966 1.604 1 1 441 . 17 1 1 A 47 47 ALA N N 47 120.900 123.550 -2.650 1 1 442 . 17 1 1 A 48 48 LEU H H 48 8.673 8.460 0.213 1 1 443 . 17 1 1 A 48 48 LEU HA H 48 5.021 5.283 -0.262 1 1 453 . 17 1 1 A 48 48 LEU C C 48 174.680 175.179 -0.499 1 1 454 . 17 1 1 A 48 48 LEU CA C 48 53.350 52.909 0.441 1 1 455 . 17 1 1 A 48 48 LEU CB C 48 48.150 46.204 1.946 1 1 456 . 17 1 1 A 48 48 LEU N N 48 120.170 116.814 3.356 1 1 457 . 17 1 1 A 49 49 LEU H H 49 8.686 8.901 -0.215 1 1 458 . 17 1 1 A 49 49 LEU HA H 49 5.403 5.259 0.144 1 1 468 . 17 1 1 A 49 49 LEU C C 49 176.170 175.469 0.701 1 1 469 . 17 1 1 A 49 49 LEU CA C 49 52.810 53.314 -0.504 1 1 470 . 17 1 1 A 49 49 LEU CB C 49 46.310 43.994 2.316 1 1 471 . 17 1 1 A 49 49 LEU N N 49 120.170 121.055 -0.885 1 1 472 . 17 1 1 A 50 50 VAL H H 50 8.874 9.559 -0.685 1 1 473 . 17 1 1 A 50 50 VAL HA H 50 4.971 4.878 0.093 1 1 481 . 17 1 1 A 50 50 VAL C C 50 176.740 175.408 1.332 1 1 482 . 17 1 1 A 50 50 VAL CA C 50 59.940 60.343 -0.403 1 1 483 . 17 1 1 A 50 50 VAL CB C 50 34.970 34.246 0.724 1 1 484 . 17 1 1 A 50 50 VAL N N 50 120.580 123.330 -2.750 1 1 485 . 17 1 1 A 51 51 VAL H H 51 8.984 9.171 -0.187 1 1 486 . 17 1 1 A 51 51 VAL HA H 51 4.155 4.040 0.115 1 1 494 . 17 1 1 A 51 51 VAL C C 51 176.050 176.093 -0.043 1 1 495 . 17 1 1 A 51 51 VAL CA C 51 64.280 63.379 0.901 1 1 496 . 17 1 1 A 51 51 VAL CB C 51 31.280 31.247 0.033 1 1 497 . 17 1 1 A 51 51 VAL N N 51 125.710 127.010 -1.300 1 1 498 . 17 1 1 A 52 52 LYS H H 52 9.444 9.108 0.336 1 1 499 . 17 1 1 A 52 52 LYS HA H 52 4.450 4.339 0.111 1 1 506 . 17 1 1 A 52 52 LYS C C 52 176.150 175.783 0.367 1 1 507 . 17 1 1 A 52 52 LYS CA C 52 57.050 57.493 -0.443 1 1 508 . 17 1 1 A 52 52 LYS CB C 52 34.470 33.932 0.538 1 1 509 . 17 1 1 A 52 52 LYS N N 52 132.750 129.944 2.806 1 1 510 . 17 1 1 A 53 53 ARG H H 53 8.051 7.774 0.277 1 1 511 . 17 1 1 A 53 53 ARG HA H 53 4.685 4.880 -0.195 1 1 516 . 17 1 1 A 53 53 ARG C C 53 173.470 174.828 -1.358 1 1 517 . 17 1 1 A 53 53 ARG CA C 53 55.090 55.230 -0.140 1 1 518 . 17 1 1 A 53 53 ARG CB C 53 34.300 34.239 0.061 1 1 519 . 17 1 1 A 53 53 ARG N N 53 117.320 118.701 -1.381 1 1 520 . 17 1 1 A 54 54 GLY H H 54 8.377 8.296 0.081 1 1 521 . 17 1 1 A 54 54 GLY HA2 H 54 4.215 3.666 0.549 1 1 522 . 17 1 1 A 54 54 GLY HA3 H 54 3.503 3.718 -0.215 1 1 523 . 17 1 1 A 54 54 GLY C C 54 171.870 174.344 -2.474 1 1 524 . 17 1 1 A 54 54 GLY CA C 54 43.770 44.175 -0.405 1 1 525 . 17 1 1 A 54 54 GLY N N 54 110.960 112.473 -1.513 1 1 526 . 17 1 1 A 55 55 PRO HA H 55 4.255 4.281 -0.026 1 1 531 . 17 1 1 A 55 55 PRO C C 55 175.940 177.519 -1.579 1 1 532 . 17 1 1 A 55 55 PRO CA C 55 64.390 64.774 -0.384 1 1 533 . 17 1 1 A 55 55 PRO CB C 55 31.360 31.966 -0.606 1 1 534 . 17 1 1 A 56 56 ASN H H 56 8.202 8.359 -0.157 1 1 535 . 17 1 1 A 56 56 ASN HA H 56 4.685 4.771 -0.086 1 1 540 . 17 1 1 A 56 56 ASN C C 56 174.410 175.416 -1.006 1 1 541 . 17 1 1 A 56 56 ASN CA C 56 52.120 52.470 -0.350 1 1 542 . 17 1 1 A 56 56 ASN CB C 56 37.070 37.594 -0.524 1 1 543 . 17 1 1 A 56 56 ASN N N 56 114.760 113.591 1.169 1 1 545 . 17 1 1 A 57 57 ALA H H 57 7.283 7.184 0.099 1 1 546 . 17 1 1 A 57 57 ALA HA H 57 3.618 4.093 -0.475 1 1 550 . 17 1 1 A 57 57 ALA C C 57 178.090 178.331 -0.241 1 1 551 . 17 1 1 A 57 57 ALA CA C 57 54.480 53.828 0.652 1 1 552 . 17 1 1 A 57 57 ALA CB C 57 17.760 18.458 -0.698 1 1 553 . 17 1 1 A 57 57 ALA N N 57 120.380 124.114 -3.734 1 1 554 . 17 1 1 A 58 58 GLY H H 58 9.052 9.426 -0.374 1 1 555 . 17 1 1 A 58 58 GLY HA2 H 58 4.449 3.995 0.454 1 1 556 . 17 1 1 A 58 58 GLY HA3 H 58 3.415 3.999 -0.584 1 1 557 . 17 1 1 A 58 58 GLY C C 58 174.610 174.471 0.139 1 1 558 . 17 1 1 A 58 58 GLY CA C 58 44.530 45.034 -0.504 1 1 559 . 17 1 1 A 58 58 GLY N N 58 112.180 110.763 1.417 1 1 560 . 17 1 1 A 59 59 ALA H H 59 8.171 7.826 0.345 1 1 561 . 17 1 1 A 59 59 ALA HA H 59 4.081 4.277 -0.196 1 1 565 . 17 1 1 A 59 59 ALA C C 59 175.220 176.471 -1.251 1 1 566 . 17 1 1 A 59 59 ALA CA C 59 53.170 52.071 1.099 1 1 567 . 17 1 1 A 59 59 ALA CB C 59 19.360 19.713 -0.353 1 1 568 . 17 1 1 A 59 59 ALA N N 59 124.650 123.811 0.839 1 1 569 . 17 1 1 A 60 60 ARG H H 60 7.751 8.825 -1.074 1 1 570 . 17 1 1 A 60 60 ARG HA H 60 5.105 5.237 -0.132 1 1 575 . 17 1 1 A 60 60 ARG C C 60 175.320 174.691 0.629 1 1 576 . 17 1 1 A 60 60 ARG CA C 60 54.150 54.245 -0.095 1 1 577 . 17 1 1 A 60 60 ARG CB C 60 34.130 33.523 0.607 1 1 578 . 17 1 1 A 60 60 ARG N N 60 116.920 118.291 -1.371 1 1 579 . 17 1 1 A 61 61 PHE H H 61 9.213 9.303 -0.090 1 1 580 . 17 1 1 A 61 61 PHE HA H 61 4.788 5.045 -0.257 1 1 587 . 17 1 1 A 61 61 PHE C C 61 173.930 174.599 -0.669 1 1 588 . 17 1 1 A 61 61 PHE CA C 61 56.500 56.145 0.355 1 1 589 . 17 1 1 A 61 61 PHE CB C 61 41.860 42.070 -0.210 1 1 590 . 17 1 1 A 61 61 PHE N N 61 121.090 120.195 0.895 1 1 591 . 17 1 1 A 62 62 LEU H H 62 8.638 8.948 -0.310 1 1 592 . 17 1 1 A 62 62 LEU HA H 62 4.566 4.787 -0.221 1 1 602 . 17 1 1 A 62 62 LEU C C 62 176.570 175.205 1.365 1 1 603 . 17 1 1 A 62 62 LEU CA C 62 55.130 54.292 0.838 1 1 604 . 17 1 1 A 62 62 LEU CB C 62 43.620 44.137 -0.517 1 1 605 . 17 1 1 A 62 62 LEU N N 62 125.630 125.580 0.050 1 1 606 . 17 1 1 A 63 63 LEU H H 63 8.929 8.909 0.020 1 1 607 . 17 1 1 A 63 63 LEU HA H 63 4.852 4.594 0.258 1 1 617 . 17 1 1 A 63 63 LEU C C 63 175.070 176.332 -1.262 1 1 618 . 17 1 1 A 63 63 LEU CA C 63 53.170 54.844 -1.674 1 1 619 . 17 1 1 A 63 63 LEU CB C 63 42.110 40.930 1.180 1 1 620 . 17 1 1 A 63 63 LEU N N 63 125.980 127.657 -1.677 1 1 621 . 17 1 1 A 64 64 ASP H H 64 8.601 8.995 -0.394 1 1 622 . 17 1 1 A 64 64 ASP HA H 64 4.736 4.934 -0.198 1 1 625 . 17 1 1 A 64 64 ASP C C 64 175.130 175.504 -0.374 1 1 626 . 17 1 1 A 64 64 ASP CA C 64 53.640 53.156 0.484 1 1 627 . 17 1 1 A 64 64 ASP CB C 64 41.020 42.001 -0.981 1 1 628 . 17 1 1 A 64 64 ASP N N 64 120.910 126.833 -5.923 1 1 629 . 17 1 1 A 65 65 GLN H H 65 7.497 7.480 0.017 1 1 630 . 17 1 1 A 65 65 GLN HA H 65 4.856 4.736 0.120 1 1 637 . 17 1 1 A 65 65 GLN C C 65 173.550 175.436 -1.886 1 1 638 . 17 1 1 A 65 65 GLN CA C 65 52.780 53.574 -0.794 1 1 639 . 17 1 1 A 65 65 GLN N N 65 117.420 117.284 0.136 1 1 641 . 17 1 1 A 66 66 PRO HA H 66 4.190 4.584 -0.394 1 1 648 . 17 1 1 A 66 66 PRO C C 66 177.400 176.503 0.897 1 1 649 . 17 1 1 A 66 66 PRO CA C 66 66.810 64.310 2.500 1 1 650 . 17 1 1 A 66 66 PRO CB C 66 32.370 31.968 0.402 1 1 651 . 17 1 1 A 67 67 THR H H 67 7.647 7.494 0.153 1 1 652 . 17 1 1 A 67 67 THR HA H 67 4.811 5.653 -0.842 1 1 657 . 17 1 1 A 67 67 THR C C 67 173.280 173.089 0.191 1 1 658 . 17 1 1 A 67 67 THR CA C 67 62.830 61.317 1.513 1 1 659 . 17 1 1 A 67 67 THR CB C 67 71.740 72.001 -0.261 1 1 660 . 17 1 1 A 67 67 THR N N 67 109.270 112.154 -2.884 1 1 661 . 17 1 1 A 68 68 THR H H 68 8.919 9.339 -0.420 1 1 662 . 17 1 1 A 68 68 THR HA H 68 4.968 5.055 -0.087 1 1 667 . 17 1 1 A 68 68 THR C C 68 175.090 173.916 1.174 1 1 668 . 17 1 1 A 68 68 THR CA C 68 61.820 61.746 0.074 1 1 669 . 17 1 1 A 68 68 THR CB C 68 70.730 70.400 0.330 1 1 670 . 17 1 1 A 68 68 THR N N 68 125.610 123.230 2.380 1 1 671 . 17 1 1 A 69 69 THR H H 69 10.398 8.918 1.480 1 1 672 . 17 1 1 A 69 69 THR HA H 69 4.491 4.989 -0.498 1 1 677 . 17 1 1 A 69 69 THR C C 69 173.140 173.934 -0.794 1 1 678 . 17 1 1 A 69 69 THR CA C 69 61.790 61.840 -0.050 1 1 679 . 17 1 1 A 69 69 THR CB C 69 70.820 70.222 0.598 1 1 680 . 17 1 1 A 69 69 THR N N 69 121.520 123.725 -2.205 1 1 681 . 17 1 1 A 70 70 ALA H H 70 8.722 9.093 -0.371 1 1 682 . 17 1 1 A 70 70 ALA HA H 70 5.696 5.630 0.066 1 1 686 . 17 1 1 A 70 70 ALA C C 70 175.840 176.102 -0.262 1 1 687 . 17 1 1 A 70 70 ALA CA C 70 50.030 50.507 -0.477 1 1 688 . 17 1 1 A 70 70 ALA CB C 70 22.300 22.646 -0.346 1 1 689 . 17 1 1 A 70 70 ALA N N 70 122.410 128.633 -6.223 1 1 690 . 17 1 1 A 71 71 GLY H H 71 8.430 8.154 0.276 1 1 691 . 17 1 1 A 71 71 GLY HA2 H 71 4.474 4.183 0.291 1 1 692 . 17 1 1 A 71 71 GLY HA3 H 71 3.903 4.238 -0.335 1 1 693 . 17 1 1 A 71 71 GLY C C 71 170.540 171.010 -0.470 1 1 694 . 17 1 1 A 71 71 GLY CA C 71 46.300 45.454 0.846 1 1 695 . 17 1 1 A 71 71 GLY N N 71 108.960 107.492 1.468 1 1 696 . 17 1 1 A 72 72 ARG H H 72 8.341 8.874 -0.533 1 1 697 . 17 1 1 A 72 72 ARG HA H 72 4.481 4.698 -0.217 1 1 702 . 17 1 1 A 72 72 ARG C C 72 175.720 174.690 1.030 1 1 703 . 17 1 1 A 72 72 ARG CA C 72 54.800 54.950 -0.150 1 1 704 . 17 1 1 A 72 72 ARG CB C 72 32.540 32.755 -0.215 1 1 705 . 17 1 1 A 72 72 ARG N N 72 120.930 121.267 -0.337 1 1 706 . 17 1 1 A 73 73 HIS H H 73 9.295 8.539 0.756 1 1 707 . 17 1 1 A 73 73 HIS HA H 73 4.403 5.065 -0.662 1 1 712 . 17 1 1 A 73 73 HIS C C 73 176.860 174.268 2.592 1 1 713 . 17 1 1 A 73 73 HIS CA C 73 57.050 55.983 1.067 1 1 714 . 17 1 1 A 73 73 HIS N N 73 125.290 124.088 1.202 1 1 715 . 17 1 1 A 74 74 PRO HA H 74 4.373 4.392 -0.019 1 1 722 . 17 1 1 A 74 74 PRO C C 74 177.590 177.622 -0.032 1 1 723 . 17 1 1 A 74 74 PRO CA C 74 64.930 64.652 0.278 1 1 724 . 17 1 1 A 74 74 PRO CB C 74 32.030 31.864 0.166 1 1 725 . 17 1 1 A 75 75 GLU H H 75 10.575 8.829 1.746 1 1 726 . 17 1 1 A 75 75 GLU HA H 75 4.352 4.207 0.145 1 1 731 . 17 1 1 A 75 75 GLU C C 75 177.320 176.824 0.496 1 1 732 . 17 1 1 A 75 75 GLU CA C 75 56.070 58.012 -1.942 1 1 733 . 17 1 1 A 75 75 GLU CB C 75 29.010 29.766 -0.756 1 1 734 . 17 1 1 A 75 75 GLU N N 75 119.840 118.375 1.465 1 1 735 . 17 1 1 A 76 76 SER H H 76 8.236 7.888 0.348 1 1 736 . 17 1 1 A 76 76 SER HA H 76 4.100 4.775 -0.675 1 1 739 . 17 1 1 A 76 76 SER C C 76 173.120 174.269 -1.149 1 1 740 . 17 1 1 A 76 76 SER CA C 76 60.160 59.018 1.142 1 1 741 . 17 1 1 A 76 76 SER CB C 76 65.530 64.311 1.219 1 1 742 . 17 1 1 A 76 76 SER N N 76 118.860 115.742 3.118 1 1 743 . 17 1 1 A 77 77 ASP H H 77 8.541 8.631 -0.090 1 1 744 . 17 1 1 A 77 77 ASP HA H 77 4.344 4.408 -0.064 1 1 747 . 17 1 1 A 77 77 ASP C C 77 177.590 175.859 1.731 1 1 748 . 17 1 1 A 77 77 ASP CA C 77 58.380 57.022 1.358 1 1 749 . 17 1 1 A 77 77 ASP CB C 77 42.110 40.660 1.450 1 1 750 . 17 1 1 A 77 77 ASP N N 77 126.720 124.758 1.962 1 1 751 . 17 1 1 A 78 78 ILE H H 78 8.571 8.038 0.533 1 1 752 . 17 1 1 A 78 78 ILE HA H 78 3.563 3.997 -0.434 1 1 762 . 17 1 1 A 78 78 ILE C C 78 172.930 174.549 -1.619 1 1 763 . 17 1 1 A 78 78 ILE CA C 78 60.880 60.211 0.669 1 1 764 . 17 1 1 A 78 78 ILE CB C 78 37.410 37.253 0.157 1 1 765 . 17 1 1 A 78 78 ILE N N 78 120.210 119.170 1.040 1 1 766 . 17 1 1 A 79 79 PHE H H 79 8.018 9.038 -1.020 1 1 767 . 17 1 1 A 79 79 PHE HA H 79 5.018 4.885 0.133 1 1 775 . 17 1 1 A 79 79 PHE C C 79 174.130 173.915 0.215 1 1 776 . 17 1 1 A 79 79 PHE CA C 79 55.780 56.464 -0.684 1 1 777 . 17 1 1 A 79 79 PHE CB C 79 39.170 39.805 -0.635 1 1 778 . 17 1 1 A 79 79 PHE N N 79 127.300 129.092 -1.792 1 1 779 . 17 1 1 A 80 80 LEU H H 80 7.695 9.501 -1.806 1 1 780 . 17 1 1 A 80 80 LEU HA H 80 3.619 4.918 -1.299 1 1 790 . 17 1 1 A 80 80 LEU C C 80 173.720 174.652 -0.932 1 1 791 . 17 1 1 A 80 80 LEU CA C 80 52.340 53.448 -1.108 1 1 792 . 17 1 1 A 80 80 LEU CB C 80 41.770 43.188 -1.418 1 1 793 . 17 1 1 A 80 80 LEU N N 80 131.810 128.495 3.315 1 1 794 . 17 1 1 A 81 81 ASP H H 81 7.974 8.976 -1.002 1 1 795 . 17 1 1 A 81 81 ASP HA H 81 4.141 4.838 -0.697 1 1 798 . 17 1 1 A 81 81 ASP C C 81 175.130 174.664 0.466 1 1 799 . 17 1 1 A 81 81 ASP CA C 81 53.210 54.050 -0.840 1 1 800 . 17 1 1 A 81 81 ASP CB C 81 39.930 41.833 -1.903 1 1 801 . 17 1 1 A 81 81 ASP N N 81 121.130 126.041 -4.911 1 1 802 . 17 1 1 A 82 82 ASP H H 82 7.583 8.498 -0.915 1 1 803 . 17 1 1 A 82 82 ASP HA H 82 4.859 5.250 -0.391 1 1 806 . 17 1 1 A 82 82 ASP C C 82 176.760 175.634 1.126 1 1 807 . 17 1 1 A 82 82 ASP CA C 82 54.980 52.569 2.411 1 1 808 . 17 1 1 A 82 82 ASP CB C 82 39.170 44.623 -5.453 1 1 809 . 17 1 1 A 82 82 ASP N N 82 121.540 125.633 -4.093 1 1 810 . 17 1 1 A 83 83 VAL H H 83 8.344 8.134 0.210 1 1 811 . 17 1 1 A 83 83 VAL HA H 83 4.012 3.940 0.072 1 1 819 . 17 1 1 A 83 83 VAL C C 83 174.860 176.145 -1.285 1 1 820 . 17 1 1 A 83 83 VAL CA C 83 65.330 65.260 0.070 1 1 821 . 17 1 1 A 83 83 VAL CB C 83 31.530 31.990 -0.460 1 1 822 . 17 1 1 A 83 83 VAL N N 83 122.260 120.420 1.840 1 1 823 . 17 1 1 A 84 84 THR H H 84 8.268 8.235 0.033 1 1 824 . 17 1 1 A 84 84 THR HA H 84 4.540 4.843 -0.303 1 1 828 . 17 1 1 A 84 84 THR C C 84 175.360 173.980 1.380 1 1 829 . 17 1 1 A 84 84 THR CA C 84 63.810 61.332 2.478 1 1 830 . 17 1 1 A 84 84 THR CB C 84 70.900 71.129 -0.229 1 1 831 . 17 1 1 A 84 84 THR N N 84 110.620 111.961 -1.341 1 1 832 . 17 1 1 A 85 85 VAL H H 85 8.579 8.818 -0.239 1 1 833 . 17 1 1 A 85 85 VAL HA H 85 4.254 4.452 -0.198 1 1 841 . 17 1 1 A 85 85 VAL C C 85 177.070 175.171 1.899 1 1 842 . 17 1 1 A 85 85 VAL CA C 85 61.930 62.068 -0.138 1 1 843 . 17 1 1 A 85 85 VAL CB C 85 32.450 31.288 1.162 1 1 844 . 17 1 1 A 85 85 VAL N N 85 126.860 126.175 0.685 1 1 845 . 17 1 1 A 86 86 SER H H 86 11.668 9.146 2.522 1 1 846 . 17 1 1 A 86 86 SER HA H 86 5.203 4.799 0.404 1 1 849 . 17 1 1 A 86 86 SER C C 86 175.470 175.259 0.211 1 1 850 . 17 1 1 A 86 86 SER CA C 86 61.600 57.857 3.743 1 1 851 . 17 1 1 A 86 86 SER CB C 86 64.270 61.751 2.519 1 1 852 . 17 1 1 A 86 86 SER N N 86 128.670 125.319 3.351 1 1 853 . 17 1 1 A 87 87 ARG H H 87 10.946 8.563 2.383 1 1 854 . 17 1 1 A 87 87 ARG HA H 87 5.179 4.124 1.055 1 1 862 . 17 1 1 A 87 87 ARG C C 87 177.110 176.197 0.913 1 1 863 . 17 1 1 A 87 87 ARG CA C 87 60.810 58.349 2.461 1 1 864 . 17 1 1 A 87 87 ARG CB C 87 29.010 29.820 -0.810 1 1 865 . 17 1 1 A 87 87 ARG N N 87 126.810 124.102 2.708 1 1 867 . 17 1 1 A 88 88 ARG H H 88 7.946 7.766 0.180 1 1 868 . 17 1 1 A 88 88 ARG HA H 88 4.459 4.626 -0.167 1 1 876 . 17 1 1 A 88 88 ARG C C 88 172.990 175.752 -2.762 1 1 877 . 17 1 1 A 88 88 ARG CA C 88 55.060 55.173 -0.113 1 1 878 . 17 1 1 A 88 88 ARG CB C 88 29.770 31.084 -1.314 1 1 879 . 17 1 1 A 88 88 ARG N N 88 115.670 119.051 -3.381 1 1 881 . 17 1 1 A 89 89 HIS H H 89 7.613 8.589 -0.976 1 1 882 . 17 1 1 A 89 89 HIS HA H 89 4.437 4.797 -0.360 1 1 888 . 17 1 1 A 89 89 HIS C C 89 174.050 174.461 -0.411 1 1 889 . 17 1 1 A 89 89 HIS CA C 89 58.420 58.080 0.340 1 1 890 . 17 1 1 A 89 89 HIS CB C 89 32.620 31.672 0.948 1 1 891 . 17 1 1 A 89 89 HIS N N 89 124.000 125.743 -1.743 1 1 893 . 17 1 1 A 90 90 ALA H H 90 8.454 7.802 0.652 1 1 894 . 17 1 1 A 90 90 ALA HA H 90 5.529 4.628 0.901 1 1 898 . 17 1 1 A 90 90 ALA C C 90 176.260 174.802 1.458 1 1 899 . 17 1 1 A 90 90 ALA CA C 90 50.240 50.606 -0.366 1 1 900 . 17 1 1 A 90 90 ALA CB C 90 23.220 22.607 0.613 1 1 901 . 17 1 1 A 90 90 ALA N N 90 116.480 118.910 -2.430 1 1 902 . 17 1 1 A 91 91 GLU H H 91 9.216 9.274 -0.058 1 1 903 . 17 1 1 A 91 91 GLU HA H 91 4.931 5.379 -0.448 1 1 908 . 17 1 1 A 91 91 GLU C C 91 173.910 174.730 -0.820 1 1 909 . 17 1 1 A 91 91 GLU CA C 91 54.690 54.913 -0.223 1 1 910 . 17 1 1 A 91 91 GLU CB C 91 34.720 33.399 1.321 1 1 911 . 17 1 1 A 91 91 GLU N N 91 118.140 122.622 -4.482 1 1 912 . 17 1 1 A 92 92 PHE H H 92 9.330 9.726 -0.396 1 1 913 . 17 1 1 A 92 92 PHE HA H 92 5.502 5.184 0.318 1 1 921 . 17 1 1 A 92 92 PHE C C 92 176.650 174.842 1.808 1 1 922 . 17 1 1 A 92 92 PHE CA C 92 56.760 56.726 0.034 1 1 923 . 17 1 1 A 92 92 PHE CB C 92 41.690 40.758 0.932 1 1 924 . 17 1 1 A 92 92 PHE N N 92 119.490 126.557 -7.067 1 1 925 . 17 1 1 A 93 93 ARG H H 93 9.846 9.393 0.453 1 1 926 . 17 1 1 A 93 93 ARG HA H 93 5.610 5.006 0.604 1 1 934 . 17 1 1 A 93 93 ARG C C 93 175.010 175.233 -0.223 1 1 935 . 17 1 1 A 93 93 ARG CA C 93 54.580 55.024 -0.444 1 1 936 . 17 1 1 A 93 93 ARG CB C 93 34.220 31.754 2.466 1 1 937 . 17 1 1 A 93 93 ARG N N 93 127.300 123.431 3.869 1 1 939 . 17 1 1 A 94 94 ILE H H 94 8.521 9.250 -0.729 1 1 940 . 17 1 1 A 94 94 ILE HA H 94 4.410 5.064 -0.654 1 1 950 . 17 1 1 A 94 94 ILE C C 94 176.420 174.699 1.721 1 1 951 . 17 1 1 A 94 94 ILE CA C 94 61.130 60.379 0.751 1 1 952 . 17 1 1 A 94 94 ILE CB C 94 38.830 38.943 -0.113 1 1 953 . 17 1 1 A 94 94 ILE N N 94 121.680 125.694 -4.014 1 1 954 . 17 1 1 A 95 95 ASN H H 95 8.847 9.019 -0.172 1 1 955 . 17 1 1 A 95 95 ASN HA H 95 4.796 5.005 -0.209 1 1 960 . 17 1 1 A 95 95 ASN C C 95 174.430 174.172 0.258 1 1 961 . 17 1 1 A 95 95 ASN CA C 95 52.560 52.724 -0.164 1 1 962 . 17 1 1 A 95 95 ASN CB C 95 40.510 40.842 -0.332 1 1 963 . 17 1 1 A 95 95 ASN N N 95 127.100 124.903 2.197 1 1 965 . 17 1 1 A 96 96 GLU H H 96 9.303 9.427 -0.124 1 1 966 . 17 1 1 A 96 96 GLU HA H 96 3.768 4.005 -0.237 1 1 971 . 17 1 1 A 96 96 GLU C C 96 176.280 176.449 -0.169 1 1 972 . 17 1 1 A 96 96 GLU CA C 96 57.150 57.488 -0.338 1 1 973 . 17 1 1 A 96 96 GLU CB C 96 27.590 27.945 -0.355 1 1 974 . 17 1 1 A 96 96 GLU N N 96 125.150 126.965 -1.815 1 1 975 . 17 1 1 A 97 97 GLY H H 97 7.937 8.468 -0.531 1 1 976 . 17 1 1 A 97 97 GLY HA2 H 97 4.042 3.650 0.392 1 1 977 . 17 1 1 A 97 97 GLY HA3 H 97 3.450 3.789 -0.339 1 1 978 . 17 1 1 A 97 97 GLY C C 97 172.990 173.517 -0.527 1 1 979 . 17 1 1 A 97 97 GLY CA C 97 45.390 45.200 0.190 1 1 980 . 17 1 1 A 97 97 GLY N N 97 104.330 104.730 -0.400 1 1 981 . 17 1 1 A 98 98 GLU H H 98 7.557 7.957 -0.400 1 1 982 . 17 1 1 A 98 98 GLU HA H 98 4.591 4.581 0.010 1 1 987 . 17 1 1 A 98 98 GLU C C 98 174.530 175.714 -1.184 1 1 988 . 17 1 1 A 98 98 GLU CA C 98 54.770 55.584 -0.814 1 1 989 . 17 1 1 A 98 98 GLU CB C 98 32.290 31.090 1.200 1 1 990 . 17 1 1 A 98 98 GLU N N 98 119.350 120.007 -0.657 1 1 991 . 17 1 1 A 99 99 PHE H H 99 9.412 9.158 0.254 1 1 992 . 17 1 1 A 99 99 PHE HA H 99 5.007 5.254 -0.247 1 1 999 . 17 1 1 A 99 99 PHE C C 99 174.050 175.226 -1.176 1 1 1000 . 17 1 1 A 99 99 PHE CA C 99 57.260 56.810 0.450 1 1 1001 . 17 1 1 A 99 99 PHE CB C 99 42.110 40.681 1.429 1 1 1002 . 17 1 1 A 99 99 PHE N N 99 122.550 122.377 0.173 1 1 1003 . 17 1 1 A 100 100 GLU H H 100 9.444 9.238 0.206 1 1 1004 . 17 1 1 A 100 100 GLU HA H 100 5.145 5.136 0.009 1 1 1009 . 17 1 1 A 100 100 GLU C C 100 175.340 175.260 0.080 1 1 1010 . 17 1 1 A 100 100 GLU CA C 100 54.080 55.134 -1.054 1 1 1011 . 17 1 1 A 100 100 GLU CB C 100 34.720 32.423 2.297 1 1 1012 . 17 1 1 A 100 100 GLU N N 100 124.080 123.189 0.891 1 1 1013 . 17 1 1 A 101 101 VAL H H 101 8.726 9.140 -0.414 1 1 1014 . 17 1 1 A 101 101 VAL HA H 101 4.900 4.584 0.316 1 1 1022 . 17 1 1 A 101 101 VAL C C 101 172.510 175.462 -2.952 1 1 1023 . 17 1 1 A 101 101 VAL CA C 101 58.710 61.424 -2.714 1 1 1024 . 17 1 1 A 101 101 VAL CB C 101 33.550 32.817 0.733 1 1 1025 . 17 1 1 A 101 101 VAL N N 101 124.500 125.039 -0.539 1 1 1026 . 17 1 1 A 102 102 VAL H H 102 8.719 9.370 -0.651 1 1 1027 . 17 1 1 A 102 102 VAL HA H 102 4.578 4.916 -0.338 1 1 1035 . 17 1 1 A 102 102 VAL C C 102 175.380 173.723 1.657 1 1 1036 . 17 1 1 A 102 102 VAL CA C 102 60.370 59.106 1.264 1 1 1037 . 17 1 1 A 102 102 VAL CB C 102 36.060 34.755 1.305 1 1 1038 . 17 1 1 A 102 102 VAL N N 102 125.900 121.843 4.057 1 1 1039 . 17 1 1 A 103 103 ASP H H 103 8.626 9.173 -0.547 1 1 1040 . 17 1 1 A 103 103 ASP HA H 103 4.856 4.809 0.047 1 1 1043 . 17 1 1 A 103 103 ASP C C 103 177.300 177.503 -0.203 1 1 1044 . 17 1 1 A 103 103 ASP CA C 103 54.580 53.355 1.225 1 1 1045 . 17 1 1 A 103 103 ASP CB C 103 44.210 42.425 1.785 1 1 1046 . 17 1 1 A 103 103 ASP N N 103 127.250 124.888 2.362 1 1 1047 . 17 1 1 A 104 104 VAL H H 104 7.890 7.846 0.044 1 1 1048 . 17 1 1 A 104 104 VAL HA H 104 4.527 4.453 0.074 1 1 1056 . 17 1 1 A 104 104 VAL C C 104 174.490 175.763 -1.273 1 1 1057 . 17 1 1 A 104 104 VAL CA C 104 60.630 61.005 -0.375 1 1 1058 . 17 1 1 A 104 104 VAL CB C 104 29.350 31.350 -2.000 1 1 1059 . 17 1 1 A 104 104 VAL N N 104 119.270 120.790 -1.520 1 1 1060 . 17 1 1 A 105 105 GLY H H 105 8.690 7.931 0.759 1 1 1061 . 17 1 1 A 105 105 GLY HA2 H 105 4.270 3.840 0.430 1 1 1062 . 17 1 1 A 105 105 GLY HA3 H 105 3.685 3.866 -0.181 1 1 1063 . 17 1 1 A 105 105 GLY C C 105 175.490 174.799 0.691 1 1 1064 . 17 1 1 A 105 105 GLY CA C 105 45.650 46.361 -0.711 1 1 1065 . 17 1 1 A 105 105 GLY N N 105 111.790 110.215 1.575 1 1 1066 . 17 1 1 A 106 106 SER H H 106 9.218 7.664 1.554 1 1 1067 . 17 1 1 A 106 106 SER HA H 106 3.894 4.527 -0.633 1 1 1070 . 17 1 1 A 106 106 SER C C 106 174.590 174.106 0.484 1 1 1071 . 17 1 1 A 106 106 SER CA C 106 58.600 57.874 0.726 1 1 1072 . 17 1 1 A 106 106 SER CB C 106 61.250 64.023 -2.773 1 1 1073 . 17 1 1 A 106 106 SER N N 106 121.540 115.243 6.297 1 1 1074 . 17 1 1 A 107 107 LEU H H 107 8.018 8.637 -0.619 1 1 1075 . 17 1 1 A 107 107 LEU HA H 107 4.240 4.307 -0.067 1 1 1085 . 17 1 1 A 107 107 LEU C C 107 179.420 177.958 1.462 1 1 1086 . 17 1 1 A 107 107 LEU CA C 107 57.590 55.752 1.838 1 1 1087 . 17 1 1 A 107 107 LEU CB C 107 42.360 42.102 0.258 1 1 1088 . 17 1 1 A 107 107 LEU N N 107 121.520 124.009 -2.489 1 1 1089 . 17 1 1 A 108 108 ASN H H 108 8.799 7.975 0.824 1 1 1090 . 17 1 1 A 108 108 ASN HA H 108 4.986 4.340 0.646 1 1 1093 . 17 1 1 A 108 108 ASN C C 108 175.950 175.961 -0.011 1 1 1094 . 17 1 1 A 108 108 ASN CA C 108 54.440 52.990 1.450 1 1 1095 . 17 1 1 A 108 108 ASN CB C 108 41.180 39.260 1.920 1 1 1096 . 17 1 1 A 108 108 ASN N N 108 111.800 114.906 -3.106 1 1 1097 . 17 1 1 A 109 109 GLY H H 109 8.025 7.970 0.055 1 1 1098 . 17 1 1 A 109 109 GLY HA2 H 109 4.237 3.523 0.714 1 1 1099 . 17 1 1 A 109 109 GLY HA3 H 109 3.621 3.597 0.024 1 1 1100 . 17 1 1 A 109 109 GLY C C 109 173.820 173.639 0.181 1 1 1101 . 17 1 1 A 109 109 GLY CA C 109 44.340 44.715 -0.375 1 1 1102 . 17 1 1 A 109 109 GLY N N 109 110.600 106.396 4.204 1 1 1103 . 17 1 1 A 110 110 THR H H 110 8.770 8.388 0.382 1 1 1104 . 17 1 1 A 110 110 THR HA H 110 4.797 4.418 0.379 1 1 1109 . 17 1 1 A 110 110 THR C C 110 172.570 173.572 -1.002 1 1 1110 . 17 1 1 A 110 110 THR CA C 110 64.540 63.007 1.533 1 1 1111 . 17 1 1 A 110 110 THR CB C 110 70.230 69.130 1.100 1 1 1112 . 17 1 1 A 110 110 THR N N 110 121.240 118.752 2.488 1 1 1113 . 17 1 1 A 111 111 TYR H H 111 8.272 9.327 -1.055 1 1 1114 . 17 1 1 A 111 111 TYR HA H 111 5.155 5.314 -0.159 1 1 1121 . 17 1 1 A 111 111 TYR C C 111 175.860 174.363 1.497 1 1 1122 . 17 1 1 A 111 111 TYR CA C 111 55.820 56.742 -0.922 1 1 1123 . 17 1 1 A 111 111 TYR CB C 111 41.100 41.628 -0.528 1 1 1124 . 17 1 1 A 111 111 TYR N N 111 123.680 125.818 -2.138 1 1 1125 . 17 1 1 A 112 112 VAL H H 112 9.017 8.896 0.121 1 1 1126 . 17 1 1 A 112 112 VAL HA H 112 4.951 4.687 0.264 1 1 1134 . 17 1 1 A 112 112 VAL C C 112 176.780 175.794 0.986 1 1 1135 . 17 1 1 A 112 112 VAL CA C 112 61.130 60.913 0.217 1 1 1136 . 17 1 1 A 112 112 VAL CB C 112 32.870 33.733 -0.863 1 1 1137 . 17 1 1 A 112 112 VAL N N 112 121.300 123.040 -1.740 1 1 1138 . 17 1 1 A 113 113 ASN H H 113 10.285 9.907 0.378 1 1 1139 . 17 1 1 A 113 113 ASN HA H 113 4.483 5.266 -0.783 1 1 1144 . 17 1 1 A 113 113 ASN C C 113 174.590 174.408 0.182 1 1 1145 . 17 1 1 A 113 113 ASN CA C 113 55.160 54.736 0.424 1 1 1146 . 17 1 1 A 113 113 ASN CB C 113 37.240 36.873 0.367 1 1 1147 . 17 1 1 A 113 113 ASN N N 113 129.510 127.529 1.981 1 1 1149 . 17 1 1 A 114 114 ARG H H 114 9.459 8.593 0.866 1 1 1150 . 17 1 1 A 114 114 ARG HA H 114 3.659 3.878 -0.219 1 1 1158 . 17 1 1 A 114 114 ARG C C 114 174.900 174.569 0.331 1 1 1159 . 17 1 1 A 114 114 ARG CA C 114 58.280 57.629 0.651 1 1 1160 . 17 1 1 A 114 114 ARG CB C 114 27.250 27.753 -0.503 1 1 1161 . 17 1 1 A 114 114 ARG N N 114 106.570 108.910 -2.340 1 1 1163 . 17 1 1 A 115 115 GLU H H 115 7.827 7.843 -0.016 1 1 1164 . 17 1 1 A 115 115 GLU HA H 115 5.153 4.827 0.326 1 1 1169 . 17 1 1 A 115 115 GLU C C 115 173.950 174.043 -0.093 1 1 1170 . 17 1 1 A 115 115 GLU CA C 115 52.990 53.018 -0.028 1 1 1171 . 17 1 1 A 115 115 GLU N N 115 119.780 118.386 1.394 1 1 1172 . 17 1 1 A 116 116 PRO HA H 116 3.983 4.705 -0.722 1 1 1177 . 17 1 1 A 116 116 PRO C C 116 177.780 175.398 2.382 1 1 1178 . 17 1 1 A 116 116 PRO CA C 116 62.910 63.475 -0.565 1 1 1179 . 17 1 1 A 116 116 PRO CB C 116 31.200 31.969 -0.769 1 1 1180 . 17 1 1 A 117 117 ARG H H 117 8.414 8.267 0.147 1 1 1181 . 17 1 1 A 117 117 ARG HA H 117 4.699 4.744 -0.045 1 1 1189 . 17 1 1 A 117 117 ARG C C 117 175.260 174.849 0.411 1 1 1190 . 17 1 1 A 117 117 ARG CA C 117 52.990 55.038 -2.048 1 1 1191 . 17 1 1 A 117 117 ARG CB C 117 24.560 33.680 -9.120 1 1 1192 . 17 1 1 A 117 117 ARG N N 117 121.900 123.645 -1.745 1 1 1194 . 17 1 1 A 118 118 ASN H H 118 8.741 8.782 -0.041 1 1 1195 . 17 1 1 A 118 118 ASN HA H 118 4.731 4.873 -0.142 1 1 1200 . 17 1 1 A 118 118 ASN C C 118 175.220 175.309 -0.089 1 1 1201 . 17 1 1 A 118 118 ASN CA C 118 55.090 54.415 0.675 1 1 1202 . 17 1 1 A 118 118 ASN CB C 118 38.920 40.516 -1.596 1 1 1203 . 17 1 1 A 118 118 ASN N N 118 120.190 120.822 -0.632 1 1 1205 . 17 1 1 A 119 119 ALA H H 119 7.372 7.738 -0.366 1 1 1206 . 17 1 1 A 119 119 ALA HA H 119 5.319 4.819 0.500 1 1 1210 . 17 1 1 A 119 119 ALA C C 119 176.720 175.131 1.589 1 1 1211 . 17 1 1 A 119 119 ALA CA C 119 52.120 51.504 0.616 1 1 1212 . 17 1 1 A 119 119 ALA CB C 119 21.460 22.217 -0.757 1 1 1213 . 17 1 1 A 119 119 ALA N N 119 120.380 118.008 2.372 1 1 1214 . 17 1 1 A 120 120 GLN H H 120 8.787 8.713 0.074 1 1 1215 . 17 1 1 A 120 120 GLN HA H 120 4.505 4.621 -0.116 1 1 1222 . 17 1 1 A 120 120 GLN C C 120 174.380 173.997 0.383 1 1 1223 . 17 1 1 A 120 120 GLN CA C 120 56.030 55.017 1.013 1 1 1224 . 17 1 1 A 120 120 GLN CB C 120 32.790 32.803 -0.013 1 1 1225 . 17 1 1 A 120 120 GLN N N 120 121.180 121.537 -0.357 1 1 1227 . 17 1 1 A 121 121 VAL H H 121 8.692 8.653 0.039 1 1 1228 . 17 1 1 A 121 121 VAL HA H 121 4.258 4.337 -0.079 1 1 1236 . 17 1 1 A 121 121 VAL C C 121 176.510 175.544 0.966 1 1 1237 . 17 1 1 A 121 121 VAL CA C 121 64.140 62.697 1.443 1 1 1238 . 17 1 1 A 121 121 VAL CB C 121 31.700 31.747 -0.047 1 1 1239 . 17 1 1 A 121 121 VAL N N 121 129.930 126.959 2.971 1 1 1240 . 17 1 1 A 122 122 MET H H 122 8.924 8.814 0.110 1 1 1241 . 17 1 1 A 122 122 MET HA H 122 4.419 5.026 -0.607 1 1 1249 . 17 1 1 A 122 122 MET C C 122 174.380 175.161 -0.781 1 1 1250 . 17 1 1 A 122 122 MET CA C 122 55.740 53.644 2.096 1 1 1251 . 17 1 1 A 122 122 MET CB C 122 35.140 33.798 1.342 1 1 1252 . 17 1 1 A 122 122 MET N N 122 129.560 126.655 2.905 1 1 1253 . 17 1 1 A 123 123 GLN H H 123 9.002 9.587 -0.585 1 1 1254 . 17 1 1 A 123 123 GLN HA H 123 4.823 5.079 -0.256 1 1 1261 . 17 1 1 A 123 123 GLN C C 123 175.530 174.997 0.533 1 1 1262 . 17 1 1 A 123 123 GLN CA C 123 53.570 54.095 -0.525 1 1 1263 . 17 1 1 A 123 123 GLN CB C 123 32.290 32.340 -0.050 1 1 1264 . 17 1 1 A 123 123 GLN N N 123 119.810 119.156 0.654 1 1 1266 . 17 1 1 A 124 124 THR H H 124 9.036 8.710 0.326 1 1 1267 . 17 1 1 A 124 124 THR HA H 124 4.208 4.275 -0.067 1 1 1272 . 17 1 1 A 124 124 THR C C 124 175.300 175.073 0.227 1 1 1273 . 17 1 1 A 124 124 THR CA C 124 65.510 63.464 2.046 1 1 1274 . 17 1 1 A 124 124 THR CB C 124 69.560 68.405 1.155 1 1 1275 . 17 1 1 A 124 124 THR N N 124 119.570 113.144 6.426 1 1 1276 . 17 1 1 A 125 125 GLY H H 125 9.921 9.537 0.384 1 1 1277 . 17 1 1 A 125 125 GLY HA2 H 125 4.552 4.050 0.502 1 1 1278 . 17 1 1 A 125 125 GLY HA3 H 125 3.480 4.052 -0.572 1 1 1279 . 17 1 1 A 125 125 GLY C C 125 174.650 174.140 0.510 1 1 1280 . 17 1 1 A 125 125 GLY CA C 125 44.710 44.977 -0.267 1 1 1281 . 17 1 1 A 125 125 GLY N N 125 117.920 114.308 3.612 1 1 1282 . 17 1 1 A 126 126 ASP H H 126 8.638 8.171 0.467 1 1 1283 . 17 1 1 A 126 126 ASP HA H 126 4.876 4.769 0.107 1 1 1286 . 17 1 1 A 126 126 ASP C C 126 174.650 175.844 -1.194 1 1 1287 . 17 1 1 A 126 126 ASP CA C 126 56.140 54.595 1.545 1 1 1288 . 17 1 1 A 126 126 ASP CB C 126 41.690 41.744 -0.054 1 1 1289 . 17 1 1 A 126 126 ASP N N 126 123.190 121.510 1.680 1 1 1290 . 17 1 1 A 127 127 GLU H H 127 8.316 9.178 -0.862 1 1 1291 . 17 1 1 A 127 127 GLU HA H 127 5.341 5.068 0.273 1 1 1296 . 17 1 1 A 127 127 GLU C C 127 175.990 175.178 0.812 1 1 1297 . 17 1 1 A 127 127 GLU CA C 127 54.440 55.018 -0.578 1 1 1298 . 17 1 1 A 127 127 GLU CB C 127 32.790 32.723 0.067 1 1 1299 . 17 1 1 A 127 127 GLU N N 127 118.480 119.780 -1.300 1 1 1300 . 17 1 1 A 128 128 ILE H H 128 9.910 9.304 0.606 1 1 1301 . 17 1 1 A 128 128 ILE HA H 128 5.334 4.967 0.367 1 1 1311 . 17 1 1 A 128 128 ILE C C 128 174.700 174.256 0.444 1 1 1312 . 17 1 1 A 128 128 ILE CA C 128 59.470 60.398 -0.928 1 1 1313 . 17 1 1 A 128 128 ILE CB C 128 40.600 40.271 0.329 1 1 1314 . 17 1 1 A 128 128 ILE N N 128 128.810 124.397 4.413 1 1 1315 . 17 1 1 A 129 129 GLN H H 129 9.502 9.715 -0.213 1 1 1316 . 17 1 1 A 129 129 GLN HA H 129 5.406 5.022 0.384 1 1 1323 . 17 1 1 A 129 129 GLN C C 129 174.950 174.658 0.292 1 1 1324 . 17 1 1 A 129 129 GLN CA C 129 54.800 54.572 0.228 1 1 1325 . 17 1 1 A 129 129 GLN CB C 129 30.690 30.564 0.126 1 1 1326 . 17 1 1 A 129 129 GLN N N 129 129.270 128.197 1.073 1 1 1328 . 17 1 1 A 130 130 ILE H H 130 8.498 9.028 -0.530 1 1 1329 . 17 1 1 A 130 130 ILE HA H 130 4.116 4.419 -0.303 1 1 1339 . 17 1 1 A 130 130 ILE C C 130 174.860 176.029 -1.169 1 1 1340 . 17 1 1 A 130 130 ILE CA C 130 60.740 60.026 0.714 1 1 1341 . 17 1 1 A 130 130 ILE CB C 130 41.440 38.296 3.144 1 1 1342 . 17 1 1 A 130 130 ILE N N 130 129.070 127.920 1.150 1 1 1343 . 17 1 1 A 131 131 GLY H H 131 9.924 8.839 1.085 1 1 1344 . 17 1 1 A 131 131 GLY HA2 H 131 3.768 3.715 0.053 1 1 1345 . 17 1 1 A 131 131 GLY HA3 H 131 3.337 3.828 -0.491 1 1 1346 . 17 1 1 A 131 131 GLY C C 131 174.590 174.829 -0.239 1 1 1347 . 17 1 1 A 131 131 GLY CA C 131 46.700 47.320 -0.620 1 1 1348 . 17 1 1 A 131 131 GLY N N 131 116.470 117.917 -1.447 1 1 1349 . 17 1 1 A 132 132 LYS H H 132 7.141 8.122 -0.981 1 1 1350 . 17 1 1 A 132 132 LYS HA H 132 3.750 4.574 -0.824 1 1 1357 . 17 1 1 A 132 132 LYS C C 132 175.820 175.433 0.387 1 1 1358 . 17 1 1 A 132 132 LYS CA C 132 57.550 55.989 1.561 1 1 1359 . 17 1 1 A 132 132 LYS CB C 132 33.300 33.384 -0.084 1 1 1360 . 17 1 1 A 132 132 LYS N N 132 122.960 124.736 -1.776 1 1 1361 . 17 1 1 A 133 133 PHE H H 133 8.360 7.236 1.124 1 1 1362 . 17 1 1 A 133 133 PHE HA H 133 4.601 5.440 -0.839 1 1 1370 . 17 1 1 A 133 133 PHE C C 133 174.910 172.965 1.945 1 1 1371 . 17 1 1 A 133 133 PHE CA C 133 58.600 55.372 3.228 1 1 1372 . 17 1 1 A 133 133 PHE CB C 133 40.510 42.367 -1.857 1 1 1373 . 17 1 1 A 133 133 PHE N N 133 118.170 116.140 2.030 1 1 1374 . 17 1 1 A 134 134 ARG H H 134 8.698 8.986 -0.288 1 1 1375 . 17 1 1 A 134 134 ARG HA H 134 5.212 5.557 -0.345 1 1 1383 . 17 1 1 A 134 134 ARG C C 134 175.150 174.321 0.829 1 1 1384 . 17 1 1 A 134 134 ARG CA C 134 55.060 54.340 0.720 1 1 1385 . 17 1 1 A 134 134 ARG CB C 134 33.550 34.448 -0.898 1 1 1386 . 17 1 1 A 134 134 ARG N N 134 120.770 120.481 0.289 1 1 1388 . 17 1 1 A 135 135 LEU H H 135 9.904 9.421 0.483 1 1 1389 . 17 1 1 A 135 135 LEU HA H 135 5.544 5.434 0.110 1 1 1399 . 17 1 1 A 135 135 LEU C C 135 175.260 175.704 -0.444 1 1 1400 . 17 1 1 A 135 135 LEU CA C 135 53.930 53.617 0.313 1 1 1401 . 17 1 1 A 135 135 LEU CB C 135 45.550 45.310 0.240 1 1 1402 . 17 1 1 A 135 135 LEU N N 135 127.130 127.012 0.118 1 1 1403 . 17 1 1 A 136 136 VAL H H 136 9.350 9.559 -0.209 1 1 1404 . 17 1 1 A 136 136 VAL HA H 136 5.226 4.964 0.262 1 1 1412 . 17 1 1 A 136 136 VAL C C 136 174.050 174.168 -0.118 1 1 1413 . 17 1 1 A 136 136 VAL CA C 136 60.520 60.832 -0.312 1 1 1414 . 17 1 1 A 136 136 VAL CB C 136 34.890 34.938 -0.048 1 1 1415 . 17 1 1 A 136 136 VAL N N 136 121.300 122.578 -1.278 1 1 1416 . 17 1 1 A 137 137 PHE H H 137 8.492 9.295 -0.803 1 1 1417 . 17 1 1 A 137 137 PHE HA H 137 5.007 4.930 0.077 1 1 1424 . 17 1 1 A 137 137 PHE C C 137 173.340 174.016 -0.676 1 1 1425 . 17 1 1 A 137 137 PHE CA C 137 57.010 56.530 0.480 1 1 1426 . 17 1 1 A 137 137 PHE CB C 137 41.770 40.095 1.675 1 1 1427 . 17 1 1 A 137 137 PHE N N 137 127.550 128.374 -0.824 1 1 1428 . 17 1 1 A 138 138 LEU H H 138 8.535 8.923 -0.388 1 1 1429 . 17 1 1 A 138 138 LEU HA H 138 4.345 4.891 -0.546 1 1 1439 . 17 1 1 A 138 138 LEU C C 138 173.390 175.279 -1.889 1 1 1440 . 17 1 1 A 138 138 LEU CA C 138 53.680 53.311 0.369 1 1 1441 . 17 1 1 A 138 138 LEU CB C 138 45.210 45.273 -0.063 1 1 1442 . 17 1 1 A 138 138 LEU N N 138 128.590 128.019 0.571 1 1 1443 . 17 1 1 A 139 139 ALA H H 139 7.502 8.405 -0.903 1 1 1444 . 17 1 1 A 139 139 ALA HA H 139 3.952 4.311 -0.359 1 1 1448 . 17 1 1 A 139 139 ALA C C 139 178.010 177.778 0.232 1 1 1449 . 17 1 1 A 139 139 ALA CA C 139 51.650 52.078 -0.428 1 1 1450 . 17 1 1 A 139 139 ALA CB C 139 20.700 19.111 1.589 1 1 1451 . 17 1 1 A 139 139 ALA N N 139 123.250 125.458 -2.208 1 1 1452 . 17 1 1 A 140 140 GLY H H 140 7.968 8.487 -0.519 1 1 1453 . 17 1 1 A 140 140 GLY HA2 H 140 4.202 4.279 -0.077 1 1 1454 . 17 1 1 A 140 140 GLY HA3 H 140 3.595 4.290 -0.695 1 1 1455 . 17 1 1 A 140 140 GLY C C 140 171.240 172.322 -1.082 1 1 1456 . 17 1 1 A 140 140 GLY CA C 140 44.710 43.810 0.900 1 1 1457 . 17 1 1 A 140 140 GLY N N 140 108.040 110.903 -2.863 1 1 1458 . 17 1 1 A 141 141 PRO HA H 141 4.460 4.528 -0.068 1 1 1463 . 17 1 1 A 141 141 PRO C C 141 176.150 176.423 -0.273 1 1 1464 . 17 1 1 A 141 141 PRO CA C 141 63.230 62.820 0.410 1 1 1465 . 17 1 1 A 141 141 PRO CB C 141 32.370 32.255 0.115 1 1 1466 . 17 1 1 A 142 142 ALA H H 142 8.496 8.577 -0.081 1 1 1467 . 17 1 1 A 142 142 ALA HA H 142 4.363 4.485 -0.122 1 1 1471 . 17 1 1 A 142 142 ALA C C 142 177.320 177.290 0.030 1 1 1472 . 17 1 1 A 142 142 ALA CA C 142 52.740 51.382 1.358 1 1 1473 . 17 1 1 A 142 142 ALA CB C 142 19.780 17.404 2.376 1 1 1474 . 17 1 1 A 142 142 ALA N N 142 124.080 124.555 -0.475 1 1 4 . 18 1 1 A 2 2 SER H H 2 8.404 8.698 -0.294 1 1 5 . 18 1 1 A 2 2 SER HA H 2 4.430 4.099 0.331 1 1 8 . 18 1 1 A 2 2 SER C C 2 174.220 172.626 1.594 1 1 9 . 18 1 1 A 2 2 SER CA C 2 58.650 60.532 -1.882 1 1 10 . 18 1 1 A 2 2 SER CB C 2 64.280 61.819 2.461 1 1 11 . 18 1 1 A 2 2 SER N N 2 116.880 112.838 4.042 1 1 12 . 18 1 1 A 3 3 ASP H H 3 8.314 7.952 0.362 1 1 13 . 18 1 1 A 3 3 ASP HA H 3 4.594 5.087 -0.493 1 1 16 . 18 1 1 A 3 3 ASP C C 3 176.070 174.957 1.113 1 1 17 . 18 1 1 A 3 3 ASP CA C 3 54.580 52.595 1.985 1 1 18 . 18 1 1 A 3 3 ASP CB C 3 41.530 42.212 -0.682 1 1 19 . 18 1 1 A 3 3 ASP N N 3 122.210 120.045 2.165 1 1 20 . 18 1 1 A 4 4 ASN H H 4 8.326 9.091 -0.765 1 1 21 . 18 1 1 A 4 4 ASN HA H 4 4.748 5.349 -0.601 1 1 24 . 18 1 1 A 4 4 ASN C C 4 175.130 172.800 2.330 1 1 25 . 18 1 1 A 4 4 ASN CA C 4 53.430 52.158 1.272 1 1 26 . 18 1 1 A 4 4 ASN CB C 4 38.920 42.342 -3.422 1 1 27 . 18 1 1 A 4 4 ASN N N 4 118.670 120.087 -1.417 1 1 28 . 18 1 1 A 5 5 ASN H H 5 8.467 8.791 -0.324 1 1 29 . 18 1 1 A 5 5 ASN HA H 5 4.702 5.422 -0.720 1 1 32 . 18 1 1 A 5 5 ASN C C 5 175.700 175.026 0.674 1 1 33 . 18 1 1 A 5 5 ASN CA C 5 53.610 51.726 1.884 1 1 34 . 18 1 1 A 5 5 ASN CB C 5 39.090 42.861 -3.771 1 1 35 . 18 1 1 A 5 5 ASN N N 5 119.070 116.743 2.327 1 1 36 . 18 1 1 A 6 6 GLY H H 6 8.333 8.966 -0.633 1 1 37 . 18 1 1 A 6 6 GLY HA2 H 6 3.960 3.976 -0.016 1 1 38 . 18 1 1 A 6 6 GLY HA3 H 6 3.960 3.978 -0.018 1 1 39 . 18 1 1 A 6 6 GLY C C 6 174.050 172.719 1.331 1 1 40 . 18 1 1 A 6 6 GLY CA C 6 45.390 46.109 -0.719 1 1 41 . 18 1 1 A 6 6 GLY N N 6 109.000 110.081 -1.081 1 1 42 . 18 1 1 A 7 7 THR H H 7 8.076 8.574 -0.498 1 1 43 . 18 1 1 A 7 7 THR HA H 7 4.591 4.622 -0.031 1 1 48 . 18 1 1 A 7 7 THR C C 7 172.840 173.157 -0.317 1 1 49 . 18 1 1 A 7 7 THR CA C 7 60.050 59.350 0.700 1 1 50 . 18 1 1 A 7 7 THR N N 7 116.910 120.499 -3.589 1 1 51 . 18 1 1 A 8 8 PRO HA H 8 4.414 4.585 -0.171 1 1 54 . 18 1 1 A 8 8 PRO C C 8 176.690 177.077 -0.387 1 1 55 . 18 1 1 A 8 8 PRO CA C 8 63.090 62.952 0.138 1 1 56 . 18 1 1 A 8 8 PRO CB C 8 32.290 31.805 0.485 1 1 57 . 18 1 1 A 9 9 GLU H H 9 8.467 8.612 -0.145 1 1 58 . 18 1 1 A 9 9 GLU HA H 9 4.527 4.676 -0.149 1 1 63 . 18 1 1 A 9 9 GLU C C 9 174.680 175.025 -0.345 1 1 64 . 18 1 1 A 9 9 GLU CA C 9 54.550 54.431 0.119 1 1 65 . 18 1 1 A 9 9 GLU N N 9 122.910 121.584 1.326 1 1 66 . 18 1 1 A 10 10 PRO HA H 10 4.371 4.528 -0.157 1 1 71 . 18 1 1 A 10 10 PRO C C 10 176.820 176.046 0.774 1 1 72 . 18 1 1 A 10 10 PRO CA C 10 63.300 63.038 0.262 1 1 73 . 18 1 1 A 10 10 PRO CB C 10 32.290 31.704 0.586 1 1 74 . 18 1 1 A 11 11 GLN H H 11 8.543 8.545 -0.002 1 1 75 . 18 1 1 A 11 11 GLN HA H 11 4.334 4.651 -0.317 1 1 82 . 18 1 1 A 11 11 GLN C C 11 176.010 174.928 1.082 1 1 83 . 18 1 1 A 11 11 GLN CA C 11 55.710 55.265 0.445 1 1 84 . 18 1 1 A 11 11 GLN CB C 11 29.520 30.053 -0.533 1 1 85 . 18 1 1 A 11 11 GLN N N 11 121.100 122.483 -1.383 1 1 87 . 18 1 1 A 12 12 VAL H H 12 8.201 8.375 -0.174 1 1 88 . 18 1 1 A 12 12 VAL HA H 12 4.144 4.828 -0.684 1 1 96 . 18 1 1 A 12 12 VAL C C 12 175.940 175.048 0.892 1 1 97 . 18 1 1 A 12 12 VAL CA C 12 62.110 61.467 0.643 1 1 98 . 18 1 1 A 12 12 VAL CB C 12 32.800 32.689 0.111 1 1 99 . 18 1 1 A 12 12 VAL N N 12 122.070 125.037 -2.967 1 1 100 . 18 1 1 A 13 13 GLU H H 13 8.593 8.549 0.044 1 1 101 . 18 1 1 A 13 13 GLU HA H 13 4.329 4.542 -0.213 1 1 106 . 18 1 1 A 13 13 GLU C C 13 176.720 174.487 2.233 1 1 107 . 18 1 1 A 13 13 GLU CA C 13 56.830 55.733 1.097 1 1 108 . 18 1 1 A 13 13 GLU CB C 13 30.860 33.427 -2.567 1 1 109 . 18 1 1 A 13 13 GLU N N 13 124.660 126.057 -1.397 1 1 138 . 18 1 1 A 17 17 VAL H H 17 8.458 8.640 -0.182 1 1 139 . 18 1 1 A 17 17 VAL HA H 17 4.183 4.460 -0.277 1 1 147 . 18 1 1 A 17 17 VAL C C 17 175.950 175.645 0.305 1 1 148 . 18 1 1 A 17 17 VAL CA C 17 63.780 62.251 1.529 1 1 149 . 18 1 1 A 17 17 VAL CB C 17 32.460 32.172 0.288 1 1 150 . 18 1 1 A 17 17 VAL N N 17 124.860 126.692 -1.832 1 1 151 . 18 1 1 A 18 18 PHE H H 18 8.579 8.925 -0.346 1 1 152 . 18 1 1 A 18 18 PHE HA H 18 4.650 5.730 -1.080 1 1 160 . 18 1 1 A 18 18 PHE C C 18 173.450 173.966 -0.516 1 1 161 . 18 1 1 A 18 18 PHE CA C 18 57.480 55.027 2.453 1 1 162 . 18 1 1 A 18 18 PHE CB C 18 41.950 42.745 -0.795 1 1 163 . 18 1 1 A 18 18 PHE N N 18 127.160 123.515 3.645 1 1 164 . 18 1 1 A 19 19 ARG H H 19 7.920 8.582 -0.662 1 1 165 . 18 1 1 A 19 19 ARG HA H 19 4.196 4.350 -0.154 1 1 170 . 18 1 1 A 19 19 ARG C C 19 174.930 175.799 -0.869 1 1 171 . 18 1 1 A 19 19 ARG CA C 19 54.800 56.224 -1.424 1 1 172 . 18 1 1 A 19 19 ARG CB C 19 30.610 30.512 0.098 1 1 173 . 18 1 1 A 19 19 ARG N N 19 127.500 120.330 7.170 1 1 174 . 18 1 1 A 20 20 ALA H H 20 8.067 8.436 -0.369 1 1 175 . 18 1 1 A 20 20 ALA HA H 20 3.729 4.875 -1.146 1 1 179 . 18 1 1 A 20 20 ALA C C 20 177.630 177.427 0.203 1 1 180 . 18 1 1 A 20 20 ALA CA C 20 53.280 50.434 2.846 1 1 181 . 18 1 1 A 20 20 ALA CB C 20 18.860 21.820 -2.960 1 1 182 . 18 1 1 A 20 20 ALA N N 20 126.460 125.287 1.173 1 1 183 . 18 1 1 A 21 21 ASP H H 21 8.355 8.891 -0.536 1 1 184 . 18 1 1 A 21 21 ASP HA H 21 4.350 4.735 -0.385 1 1 187 . 18 1 1 A 21 21 ASP C C 21 176.720 177.378 -0.658 1 1 188 . 18 1 1 A 21 21 ASP CA C 21 54.480 54.127 0.353 1 1 189 . 18 1 1 A 21 21 ASP CB C 21 40.350 40.900 -0.550 1 1 190 . 18 1 1 A 21 21 ASP N N 21 117.850 123.178 -5.328 1 1 191 . 18 1 1 A 22 22 LEU H H 22 7.705 7.848 -0.143 1 1 192 . 18 1 1 A 22 22 LEU HA H 22 4.088 3.997 0.091 1 1 202 . 18 1 1 A 22 22 LEU C C 22 177.760 177.588 0.172 1 1 203 . 18 1 1 A 22 22 LEU CA C 22 55.780 57.276 -1.496 1 1 204 . 18 1 1 A 22 22 LEU CB C 22 41.860 41.451 0.409 1 1 205 . 18 1 1 A 22 22 LEU N N 22 121.600 117.878 3.722 1 1 206 . 18 1 1 A 23 23 LEU H H 23 7.717 7.858 -0.141 1 1 207 . 18 1 1 A 23 23 LEU HA H 23 4.166 3.972 0.194 1 1 217 . 18 1 1 A 23 23 LEU C C 23 177.840 178.078 -0.238 1 1 218 . 18 1 1 A 23 23 LEU CA C 23 55.960 57.031 -1.071 1 1 219 . 18 1 1 A 23 23 LEU CB C 23 41.950 41.333 0.617 1 1 220 . 18 1 1 A 23 23 LEU N N 23 120.360 119.081 1.279 1 1 221 . 18 1 1 A 24 24 LYS H H 24 7.933 7.818 0.115 1 1 222 . 18 1 1 A 24 24 LYS HA H 24 4.174 4.068 0.106 1 1 229 . 18 1 1 A 24 24 LYS C C 24 177.190 178.069 -0.879 1 1 230 . 18 1 1 A 24 24 LYS CA C 24 57.050 59.493 -2.443 1 1 231 . 18 1 1 A 24 24 LYS CB C 24 32.880 32.393 0.487 1 1 232 . 18 1 1 A 24 24 LYS N N 24 121.120 118.008 3.112 1 1 233 . 18 1 1 A 25 25 GLU H H 25 8.160 7.945 0.215 1 1 234 . 18 1 1 A 25 25 GLU HA H 25 4.199 4.110 0.089 1 1 239 . 18 1 1 A 25 25 GLU C C 25 176.900 178.690 -1.790 1 1 240 . 18 1 1 A 25 25 GLU CA C 25 57.010 58.663 -1.653 1 1 241 . 18 1 1 A 25 25 GLU CB C 25 30.280 29.330 0.950 1 1 242 . 18 1 1 A 25 25 GLU N N 25 121.550 119.742 1.808 1 1 243 . 18 1 1 A 26 26 MET H H 26 8.270 7.745 0.525 1 1 244 . 18 1 1 A 26 26 MET HA H 26 4.360 3.953 0.407 1 1 252 . 18 1 1 A 26 26 MET C C 26 176.440 177.734 -1.294 1 1 253 . 18 1 1 A 26 26 MET CA C 26 56.180 58.578 -2.398 1 1 254 . 18 1 1 A 26 26 MET CB C 26 33.050 31.848 1.202 1 1 255 . 18 1 1 A 26 26 MET N N 26 120.730 119.683 1.047 1 1 256 . 18 1 1 A 27 27 GLU H H 27 8.297 8.338 -0.041 1 1 257 . 18 1 1 A 27 27 GLU HA H 27 4.264 4.168 0.096 1 1 262 . 18 1 1 A 27 27 GLU C C 27 176.650 178.825 -2.175 1 1 263 . 18 1 1 A 27 27 GLU CA C 27 56.830 58.136 -1.306 1 1 264 . 18 1 1 A 27 27 GLU CB C 27 30.530 29.168 1.362 1 1 265 . 18 1 1 A 27 27 GLU N N 27 121.650 118.340 3.310 1 1 266 . 18 1 1 A 28 28 SER H H 28 8.279 7.726 0.553 1 1 267 . 18 1 1 A 28 28 SER HA H 28 4.473 4.295 0.178 1 1 270 . 18 1 1 A 28 28 SER C C 28 174.760 176.327 -1.567 1 1 271 . 18 1 1 A 28 28 SER CA C 28 58.460 61.219 -2.759 1 1 272 . 18 1 1 A 28 28 SER CB C 28 64.190 62.814 1.376 1 1 273 . 18 1 1 A 28 28 SER N N 28 116.610 116.961 -0.351 1 1 274 . 18 1 1 A 29 29 SER H H 29 8.443 7.664 0.779 1 1 275 . 18 1 1 A 29 29 SER HA H 29 4.541 4.497 0.044 1 1 278 . 18 1 1 A 29 29 SER C C 29 174.950 174.657 0.293 1 1 279 . 18 1 1 A 29 29 SER CA C 29 58.530 59.301 -0.771 1 1 280 . 18 1 1 A 29 29 SER CB C 29 64.190 64.062 0.128 1 1 281 . 18 1 1 A 29 29 SER N N 29 118.290 114.044 4.246 1 1 282 . 18 1 1 A 30 30 THR H H 30 8.220 7.104 1.116 1 1 283 . 18 1 1 A 30 30 THR HA H 30 4.372 4.080 0.292 1 1 288 . 18 1 1 A 30 30 THR C C 30 175.280 175.178 0.102 1 1 289 . 18 1 1 A 30 30 THR CA C 30 62.260 64.805 -2.545 1 1 290 . 18 1 1 A 30 30 THR CB C 30 69.900 68.109 1.791 1 1 291 . 18 1 1 A 30 30 THR N N 30 115.600 115.600 0.000 1 1 292 . 18 1 1 A 31 31 GLY H H 31 8.401 8.357 0.044 1 1 293 . 18 1 1 A 31 31 GLY HA2 H 31 4.005 4.061 -0.056 1 1 294 . 18 1 1 A 31 31 GLY HA3 H 31 4.005 4.062 -0.057 1 1 295 . 18 1 1 A 31 31 GLY C C 31 174.160 173.825 0.335 1 1 296 . 18 1 1 A 31 31 GLY CA C 31 45.470 45.635 -0.165 1 1 297 . 18 1 1 A 31 31 GLY N N 31 111.270 112.989 -1.719 1 1 298 . 18 1 1 A 32 32 THR H H 32 8.034 7.996 0.038 1 1 299 . 18 1 1 A 32 32 THR HA H 32 4.319 4.859 -0.540 1 1 304 . 18 1 1 A 32 32 THR C C 32 174.130 173.486 0.644 1 1 305 . 18 1 1 A 32 32 THR CA C 32 61.710 60.617 1.093 1 1 306 . 18 1 1 A 32 32 THR CB C 32 70.150 70.552 -0.402 1 1 307 . 18 1 1 A 32 32 THR N N 32 113.770 111.079 2.691 1 1 308 . 18 1 1 A 33 33 ALA H H 33 8.410 8.726 -0.316 1 1 309 . 18 1 1 A 33 33 ALA HA H 33 4.581 4.827 -0.246 1 1 313 . 18 1 1 A 33 33 ALA C C 33 175.490 174.574 0.916 1 1 314 . 18 1 1 A 33 33 ALA CA C 33 50.680 49.414 1.266 1 1 315 . 18 1 1 A 33 33 ALA N N 33 128.320 125.846 2.474 1 1 316 . 18 1 1 A 34 34 PRO HA H 34 4.389 4.492 -0.103 1 1 321 . 18 1 1 A 34 34 PRO C C 34 176.650 176.520 0.130 1 1 322 . 18 1 1 A 34 34 PRO CA C 34 63.090 62.492 0.598 1 1 323 . 18 1 1 A 34 34 PRO CB C 34 32.210 32.378 -0.168 1 1 324 . 18 1 1 A 35 35 ALA H H 35 8.433 8.281 0.152 1 1 325 . 18 1 1 A 35 35 ALA HA H 35 4.275 4.365 -0.090 1 1 329 . 18 1 1 A 35 35 ALA C C 35 177.730 177.597 0.133 1 1 330 . 18 1 1 A 35 35 ALA CA C 35 52.590 52.989 -0.399 1 1 331 . 18 1 1 A 35 35 ALA CB C 35 19.450 19.137 0.313 1 1 332 . 18 1 1 A 35 35 ALA N N 35 124.330 125.268 -0.938 1 1 333 . 18 1 1 A 36 36 SER H H 36 8.259 8.826 -0.567 1 1 334 . 18 1 1 A 36 36 SER HA H 36 4.474 5.245 -0.771 1 1 337 . 18 1 1 A 36 36 SER C C 36 174.860 174.306 0.554 1 1 338 . 18 1 1 A 36 36 SER CA C 36 58.130 58.479 -0.349 1 1 339 . 18 1 1 A 36 36 SER CB C 36 64.190 64.002 0.188 1 1 340 . 18 1 1 A 36 36 SER N N 36 114.560 118.144 -3.584 1 1 341 . 18 1 1 A 37 37 THR H H 37 8.325 7.676 0.649 1 1 342 . 18 1 1 A 37 37 THR HA H 37 4.281 4.065 0.216 1 1 346 . 18 1 1 A 37 37 THR C C 37 175.110 175.354 -0.244 1 1 347 . 18 1 1 A 37 37 THR CA C 37 62.260 63.795 -1.535 1 1 348 . 18 1 1 A 37 37 THR CB C 37 70.150 69.094 1.056 1 1 349 . 18 1 1 A 37 37 THR N N 37 115.300 116.176 -0.876 1 1 350 . 18 1 1 A 38 38 GLY H H 38 8.511 8.772 -0.261 1 1 351 . 18 1 1 A 38 38 GLY HA2 H 38 3.975 3.971 0.004 1 1 352 . 18 1 1 A 38 38 GLY HA3 H 38 3.809 3.975 -0.166 1 1 353 . 18 1 1 A 38 38 GLY C C 38 174.470 175.746 -1.276 1 1 354 . 18 1 1 A 38 38 GLY CA C 38 45.470 45.364 0.106 1 1 355 . 18 1 1 A 38 38 GLY N N 38 110.440 116.424 -5.984 1 1 356 . 18 1 1 A 39 39 ALA H H 39 8.245 8.246 -0.001 1 1 357 . 18 1 1 A 39 39 ALA HA H 39 4.164 4.082 0.082 1 1 361 . 18 1 1 A 39 39 ALA C C 39 177.590 179.904 -2.314 1 1 362 . 18 1 1 A 39 39 ALA CA C 39 52.560 54.694 -2.134 1 1 363 . 18 1 1 A 39 39 ALA CB C 39 19.360 18.590 0.770 1 1 364 . 18 1 1 A 39 39 ALA N N 39 124.080 124.506 -0.426 1 1 365 . 18 1 1 A 40 40 GLU H H 40 8.721 8.500 0.221 1 1 366 . 18 1 1 A 40 40 GLU HA H 40 4.083 4.223 -0.140 1 1 371 . 18 1 1 A 40 40 GLU C C 40 176.320 177.790 -1.470 1 1 372 . 18 1 1 A 40 40 GLU CA C 40 57.910 58.442 -0.532 1 1 373 . 18 1 1 A 40 40 GLU CB C 40 29.520 27.951 1.569 1 1 374 . 18 1 1 A 40 40 GLU N N 40 118.270 116.004 2.266 1 1 375 . 18 1 1 A 41 41 ASN H H 41 8.226 7.983 0.243 1 1 376 . 18 1 1 A 41 41 ASN HA H 41 4.716 4.836 -0.120 1 1 381 . 18 1 1 A 41 41 ASN C C 41 174.800 174.781 0.019 1 1 382 . 18 1 1 A 41 41 ASN CA C 41 52.880 52.943 -0.063 1 1 383 . 18 1 1 A 41 41 ASN CB C 41 38.840 39.266 -0.426 1 1 384 . 18 1 1 A 41 41 ASN N N 41 117.620 116.471 1.149 1 1 386 . 18 1 1 A 42 42 LEU H H 42 7.629 7.945 -0.316 1 1 387 . 18 1 1 A 42 42 LEU HA H 42 4.418 4.035 0.383 1 1 397 . 18 1 1 A 42 42 LEU C C 42 174.610 176.951 -2.341 1 1 398 . 18 1 1 A 42 42 LEU CA C 42 53.170 55.642 -2.472 1 1 399 . 18 1 1 A 42 42 LEU N N 42 123.010 116.495 6.515 1 1 400 . 18 1 1 A 43 43 PRO HA H 43 4.366 4.288 0.078 1 1 407 . 18 1 1 A 43 43 PRO C C 43 177.050 179.034 -1.984 1 1 408 . 18 1 1 A 43 43 PRO CA C 43 62.260 66.372 -4.112 1 1 409 . 18 1 1 A 43 43 PRO CB C 43 32.380 31.225 1.155 1 1 410 . 18 1 1 A 44 44 ALA H H 44 8.552 7.688 0.864 1 1 411 . 18 1 1 A 44 44 ALA HA H 44 4.223 4.264 -0.041 1 1 415 . 18 1 1 A 44 44 ALA C C 44 179.500 178.017 1.483 1 1 416 . 18 1 1 A 44 44 ALA CA C 44 53.250 52.353 0.897 1 1 417 . 18 1 1 A 44 44 ALA CB C 44 18.190 19.482 -1.292 1 1 418 . 18 1 1 A 44 44 ALA N N 44 125.070 118.533 6.537 1 1 419 . 18 1 1 A 45 45 GLY H H 45 8.897 9.507 -0.610 1 1 420 . 18 1 1 A 45 45 GLY HA2 H 45 4.214 3.923 0.291 1 1 421 . 18 1 1 A 45 45 GLY HA3 H 45 3.833 3.941 -0.108 1 1 422 . 18 1 1 A 45 45 GLY C C 45 173.720 173.427 0.293 1 1 423 . 18 1 1 A 45 45 GLY CA C 45 45.790 45.545 0.245 1 1 424 . 18 1 1 A 45 45 GLY N N 45 110.600 108.475 2.125 1 1 425 . 18 1 1 A 46 46 SER H H 46 7.690 7.884 -0.194 1 1 426 . 18 1 1 A 46 46 SER HA H 46 5.338 5.181 0.157 1 1 429 . 18 1 1 A 46 46 SER C C 46 172.990 172.135 0.855 1 1 430 . 18 1 1 A 46 46 SER CA C 46 57.810 57.757 0.053 1 1 431 . 18 1 1 A 46 46 SER CB C 46 66.960 67.044 -0.084 1 1 432 . 18 1 1 A 46 46 SER N N 46 114.180 115.326 -1.146 1 1 433 . 18 1 1 A 47 47 ALA H H 47 8.435 8.791 -0.356 1 1 434 . 18 1 1 A 47 47 ALA HA H 47 4.338 4.987 -0.649 1 1 438 . 18 1 1 A 47 47 ALA C C 47 173.840 175.835 -1.995 1 1 439 . 18 1 1 A 47 47 ALA CA C 47 51.690 51.019 0.671 1 1 440 . 18 1 1 A 47 47 ALA CB C 47 24.570 23.333 1.237 1 1 441 . 18 1 1 A 47 47 ALA N N 47 120.900 123.411 -2.511 1 1 442 . 18 1 1 A 48 48 LEU H H 48 8.673 8.602 0.071 1 1 443 . 18 1 1 A 48 48 LEU HA H 48 5.021 5.364 -0.343 1 1 453 . 18 1 1 A 48 48 LEU C C 48 174.680 175.201 -0.521 1 1 454 . 18 1 1 A 48 48 LEU CA C 48 53.350 52.902 0.448 1 1 455 . 18 1 1 A 48 48 LEU CB C 48 48.150 46.311 1.839 1 1 456 . 18 1 1 A 48 48 LEU N N 48 120.170 116.200 3.970 1 1 457 . 18 1 1 A 49 49 LEU H H 49 8.686 9.016 -0.330 1 1 458 . 18 1 1 A 49 49 LEU HA H 49 5.403 5.413 -0.010 1 1 468 . 18 1 1 A 49 49 LEU C C 49 176.170 175.413 0.757 1 1 469 . 18 1 1 A 49 49 LEU CA C 49 52.810 53.069 -0.259 1 1 470 . 18 1 1 A 49 49 LEU CB C 49 46.310 44.866 1.444 1 1 471 . 18 1 1 A 49 49 LEU N N 49 120.170 118.671 1.499 1 1 472 . 18 1 1 A 50 50 VAL H H 50 8.874 9.501 -0.627 1 1 473 . 18 1 1 A 50 50 VAL HA H 50 4.971 4.606 0.365 1 1 481 . 18 1 1 A 50 50 VAL C C 50 176.740 175.212 1.528 1 1 482 . 18 1 1 A 50 50 VAL CA C 50 59.940 60.934 -0.994 1 1 483 . 18 1 1 A 50 50 VAL CB C 50 34.970 33.989 0.981 1 1 484 . 18 1 1 A 50 50 VAL N N 50 120.580 123.861 -3.281 1 1 485 . 18 1 1 A 51 51 VAL H H 51 8.984 9.265 -0.281 1 1 486 . 18 1 1 A 51 51 VAL HA H 51 4.155 4.055 0.100 1 1 494 . 18 1 1 A 51 51 VAL C C 51 176.050 176.079 -0.029 1 1 495 . 18 1 1 A 51 51 VAL CA C 51 64.280 63.005 1.275 1 1 496 . 18 1 1 A 51 51 VAL CB C 51 31.280 31.426 -0.146 1 1 497 . 18 1 1 A 51 51 VAL N N 51 125.710 126.780 -1.070 1 1 498 . 18 1 1 A 52 52 LYS H H 52 9.444 8.991 0.453 1 1 499 . 18 1 1 A 52 52 LYS HA H 52 4.450 4.277 0.173 1 1 506 . 18 1 1 A 52 52 LYS C C 52 176.150 175.811 0.339 1 1 507 . 18 1 1 A 52 52 LYS CA C 52 57.050 57.715 -0.665 1 1 508 . 18 1 1 A 52 52 LYS CB C 52 34.470 33.803 0.667 1 1 509 . 18 1 1 A 52 52 LYS N N 52 132.750 129.999 2.751 1 1 510 . 18 1 1 A 53 53 ARG H H 53 8.051 7.742 0.309 1 1 511 . 18 1 1 A 53 53 ARG HA H 53 4.685 4.670 0.015 1 1 516 . 18 1 1 A 53 53 ARG C C 53 173.470 174.517 -1.047 1 1 517 . 18 1 1 A 53 53 ARG CA C 53 55.090 55.774 -0.684 1 1 518 . 18 1 1 A 53 53 ARG CB C 53 34.300 33.504 0.796 1 1 519 . 18 1 1 A 53 53 ARG N N 53 117.320 118.601 -1.281 1 1 520 . 18 1 1 A 54 54 GLY H H 54 8.377 8.329 0.048 1 1 521 . 18 1 1 A 54 54 GLY HA2 H 54 4.215 3.189 1.026 1 1 522 . 18 1 1 A 54 54 GLY HA3 H 54 3.503 3.668 -0.165 1 1 523 . 18 1 1 A 54 54 GLY C C 54 171.870 173.888 -2.018 1 1 524 . 18 1 1 A 54 54 GLY CA C 54 43.770 43.605 0.165 1 1 525 . 18 1 1 A 54 54 GLY N N 54 110.960 111.078 -0.118 1 1 526 . 18 1 1 A 55 55 PRO HA H 55 4.255 4.330 -0.075 1 1 531 . 18 1 1 A 55 55 PRO C C 55 175.940 177.468 -1.528 1 1 532 . 18 1 1 A 55 55 PRO CA C 55 64.390 65.118 -0.728 1 1 533 . 18 1 1 A 55 55 PRO CB C 55 31.360 31.895 -0.535 1 1 534 . 18 1 1 A 56 56 ASN H H 56 8.202 8.318 -0.116 1 1 535 . 18 1 1 A 56 56 ASN HA H 56 4.685 4.909 -0.224 1 1 540 . 18 1 1 A 56 56 ASN C C 56 174.410 174.755 -0.345 1 1 541 . 18 1 1 A 56 56 ASN CA C 56 52.120 52.802 -0.682 1 1 542 . 18 1 1 A 56 56 ASN CB C 56 37.070 38.941 -1.871 1 1 543 . 18 1 1 A 56 56 ASN N N 56 114.760 114.279 0.481 1 1 545 . 18 1 1 A 57 57 ALA H H 57 7.283 7.248 0.035 1 1 546 . 18 1 1 A 57 57 ALA HA H 57 3.618 4.077 -0.459 1 1 550 . 18 1 1 A 57 57 ALA C C 57 178.090 178.314 -0.224 1 1 551 . 18 1 1 A 57 57 ALA CA C 57 54.480 53.830 0.650 1 1 552 . 18 1 1 A 57 57 ALA CB C 57 17.760 18.413 -0.653 1 1 553 . 18 1 1 A 57 57 ALA N N 57 120.380 122.070 -1.690 1 1 554 . 18 1 1 A 58 58 GLY H H 58 9.052 9.161 -0.109 1 1 555 . 18 1 1 A 58 58 GLY HA2 H 58 4.449 4.002 0.447 1 1 556 . 18 1 1 A 58 58 GLY HA3 H 58 3.415 4.004 -0.589 1 1 557 . 18 1 1 A 58 58 GLY C C 58 174.610 174.530 0.080 1 1 558 . 18 1 1 A 58 58 GLY CA C 58 44.530 45.082 -0.552 1 1 559 . 18 1 1 A 58 58 GLY N N 58 112.180 110.737 1.443 1 1 560 . 18 1 1 A 59 59 ALA H H 59 8.171 7.904 0.267 1 1 561 . 18 1 1 A 59 59 ALA HA H 59 4.081 4.513 -0.432 1 1 565 . 18 1 1 A 59 59 ALA C C 59 175.220 176.303 -1.083 1 1 566 . 18 1 1 A 59 59 ALA CA C 59 53.170 51.444 1.726 1 1 567 . 18 1 1 A 59 59 ALA CB C 59 19.360 20.590 -1.230 1 1 568 . 18 1 1 A 59 59 ALA N N 59 124.650 123.856 0.794 1 1 569 . 18 1 1 A 60 60 ARG H H 60 7.751 8.794 -1.043 1 1 570 . 18 1 1 A 60 60 ARG HA H 60 5.105 5.386 -0.281 1 1 575 . 18 1 1 A 60 60 ARG C C 60 175.320 173.924 1.396 1 1 576 . 18 1 1 A 60 60 ARG CA C 60 54.150 54.409 -0.259 1 1 577 . 18 1 1 A 60 60 ARG CB C 60 34.130 33.636 0.494 1 1 578 . 18 1 1 A 60 60 ARG N N 60 116.920 116.707 0.213 1 1 579 . 18 1 1 A 61 61 PHE H H 61 9.213 9.196 0.017 1 1 580 . 18 1 1 A 61 61 PHE HA H 61 4.788 5.171 -0.383 1 1 587 . 18 1 1 A 61 61 PHE C C 61 173.930 175.419 -1.489 1 1 588 . 18 1 1 A 61 61 PHE CA C 61 56.500 56.216 0.284 1 1 589 . 18 1 1 A 61 61 PHE CB C 61 41.860 41.844 0.016 1 1 590 . 18 1 1 A 61 61 PHE N N 61 121.090 120.129 0.961 1 1 591 . 18 1 1 A 62 62 LEU H H 62 8.638 8.759 -0.121 1 1 592 . 18 1 1 A 62 62 LEU HA H 62 4.566 5.039 -0.473 1 1 602 . 18 1 1 A 62 62 LEU C C 62 176.570 175.852 0.718 1 1 603 . 18 1 1 A 62 62 LEU CA C 62 55.130 53.364 1.766 1 1 604 . 18 1 1 A 62 62 LEU CB C 62 43.620 43.346 0.274 1 1 605 . 18 1 1 A 62 62 LEU N N 62 125.630 121.267 4.363 1 1 606 . 18 1 1 A 63 63 LEU H H 63 8.929 9.423 -0.494 1 1 607 . 18 1 1 A 63 63 LEU HA H 63 4.852 5.044 -0.192 1 1 617 . 18 1 1 A 63 63 LEU C C 63 175.070 175.265 -0.195 1 1 618 . 18 1 1 A 63 63 LEU CA C 63 53.170 53.870 -0.700 1 1 619 . 18 1 1 A 63 63 LEU CB C 63 42.110 43.083 -0.973 1 1 620 . 18 1 1 A 63 63 LEU N N 63 125.980 123.494 2.486 1 1 621 . 18 1 1 A 64 64 ASP H H 64 8.601 8.913 -0.312 1 1 622 . 18 1 1 A 64 64 ASP HA H 64 4.736 5.138 -0.402 1 1 625 . 18 1 1 A 64 64 ASP C C 64 175.130 174.336 0.794 1 1 626 . 18 1 1 A 64 64 ASP CA C 64 53.640 53.115 0.525 1 1 627 . 18 1 1 A 64 64 ASP CB C 64 41.020 41.171 -0.151 1 1 628 . 18 1 1 A 64 64 ASP N N 64 120.910 127.579 -6.669 1 1 629 . 18 1 1 A 65 65 GLN H H 65 7.497 7.910 -0.413 1 1 630 . 18 1 1 A 65 65 GLN HA H 65 4.856 4.940 -0.084 1 1 637 . 18 1 1 A 65 65 GLN C C 65 173.550 175.438 -1.888 1 1 638 . 18 1 1 A 65 65 GLN CA C 65 52.780 53.725 -0.945 1 1 639 . 18 1 1 A 65 65 GLN N N 65 117.420 119.103 -1.683 1 1 641 . 18 1 1 A 66 66 PRO HA H 66 4.190 4.825 -0.635 1 1 648 . 18 1 1 A 66 66 PRO C C 66 177.400 176.694 0.706 1 1 649 . 18 1 1 A 66 66 PRO CA C 66 66.810 64.552 2.258 1 1 650 . 18 1 1 A 66 66 PRO CB C 66 32.370 32.184 0.186 1 1 651 . 18 1 1 A 67 67 THR H H 67 7.647 7.277 0.370 1 1 652 . 18 1 1 A 67 67 THR HA H 67 4.811 4.990 -0.179 1 1 657 . 18 1 1 A 67 67 THR C C 67 173.280 173.269 0.011 1 1 658 . 18 1 1 A 67 67 THR CA C 67 62.830 61.322 1.508 1 1 659 . 18 1 1 A 67 67 THR CB C 67 71.740 71.564 0.176 1 1 660 . 18 1 1 A 67 67 THR N N 67 109.270 112.221 -2.951 1 1 661 . 18 1 1 A 68 68 THR H H 68 8.919 9.209 -0.290 1 1 662 . 18 1 1 A 68 68 THR HA H 68 4.968 4.999 -0.031 1 1 667 . 18 1 1 A 68 68 THR C C 68 175.090 173.801 1.289 1 1 668 . 18 1 1 A 68 68 THR CA C 68 61.820 62.313 -0.493 1 1 669 . 18 1 1 A 68 68 THR CB C 68 70.730 69.650 1.080 1 1 670 . 18 1 1 A 68 68 THR N N 68 125.610 124.161 1.449 1 1 671 . 18 1 1 A 69 69 THR H H 69 10.398 8.972 1.426 1 1 672 . 18 1 1 A 69 69 THR HA H 69 4.491 4.633 -0.142 1 1 677 . 18 1 1 A 69 69 THR C C 69 173.140 173.854 -0.714 1 1 678 . 18 1 1 A 69 69 THR CA C 69 61.790 61.741 0.049 1 1 679 . 18 1 1 A 69 69 THR CB C 69 70.820 70.150 0.670 1 1 680 . 18 1 1 A 69 69 THR N N 69 121.520 123.040 -1.520 1 1 681 . 18 1 1 A 70 70 ALA H H 70 8.722 8.753 -0.031 1 1 682 . 18 1 1 A 70 70 ALA HA H 70 5.696 5.599 0.097 1 1 686 . 18 1 1 A 70 70 ALA C C 70 175.840 176.272 -0.432 1 1 687 . 18 1 1 A 70 70 ALA CA C 70 50.030 50.290 -0.260 1 1 688 . 18 1 1 A 70 70 ALA CB C 70 22.300 22.315 -0.015 1 1 689 . 18 1 1 A 70 70 ALA N N 70 122.410 127.239 -4.829 1 1 690 . 18 1 1 A 71 71 GLY H H 71 8.430 7.791 0.639 1 1 691 . 18 1 1 A 71 71 GLY HA2 H 71 4.474 4.132 0.342 1 1 692 . 18 1 1 A 71 71 GLY HA3 H 71 3.903 4.166 -0.263 1 1 693 . 18 1 1 A 71 71 GLY C C 71 170.540 171.937 -1.397 1 1 694 . 18 1 1 A 71 71 GLY CA C 71 46.300 45.691 0.609 1 1 695 . 18 1 1 A 71 71 GLY N N 71 108.960 107.820 1.140 1 1 696 . 18 1 1 A 72 72 ARG H H 72 8.341 8.515 -0.174 1 1 697 . 18 1 1 A 72 72 ARG HA H 72 4.481 5.069 -0.588 1 1 702 . 18 1 1 A 72 72 ARG C C 72 175.720 175.154 0.566 1 1 703 . 18 1 1 A 72 72 ARG CA C 72 54.800 53.807 0.993 1 1 704 . 18 1 1 A 72 72 ARG CB C 72 32.540 33.135 -0.595 1 1 705 . 18 1 1 A 72 72 ARG N N 72 120.930 121.327 -0.397 1 1 706 . 18 1 1 A 73 73 HIS H H 73 9.295 9.010 0.285 1 1 707 . 18 1 1 A 73 73 HIS HA H 73 4.403 4.769 -0.366 1 1 712 . 18 1 1 A 73 73 HIS C C 73 176.860 175.415 1.445 1 1 713 . 18 1 1 A 73 73 HIS CA C 73 57.050 56.907 0.143 1 1 714 . 18 1 1 A 73 73 HIS N N 73 125.290 116.360 8.930 1 1 715 . 18 1 1 A 74 74 PRO HA H 74 4.373 4.462 -0.089 1 1 722 . 18 1 1 A 74 74 PRO C C 74 177.590 177.607 -0.017 1 1 723 . 18 1 1 A 74 74 PRO CA C 74 64.930 64.359 0.571 1 1 724 . 18 1 1 A 74 74 PRO CB C 74 32.030 31.734 0.296 1 1 725 . 18 1 1 A 75 75 GLU H H 75 10.575 8.770 1.805 1 1 726 . 18 1 1 A 75 75 GLU HA H 75 4.352 4.156 0.196 1 1 731 . 18 1 1 A 75 75 GLU C C 75 177.320 177.357 -0.037 1 1 732 . 18 1 1 A 75 75 GLU CA C 75 56.070 58.234 -2.164 1 1 733 . 18 1 1 A 75 75 GLU CB C 75 29.010 29.820 -0.810 1 1 734 . 18 1 1 A 75 75 GLU N N 75 119.840 118.502 1.338 1 1 735 . 18 1 1 A 76 76 SER H H 76 8.236 7.636 0.600 1 1 736 . 18 1 1 A 76 76 SER HA H 76 4.100 4.537 -0.437 1 1 739 . 18 1 1 A 76 76 SER C C 76 173.120 174.222 -1.102 1 1 740 . 18 1 1 A 76 76 SER CA C 76 60.160 60.155 0.005 1 1 741 . 18 1 1 A 76 76 SER CB C 76 65.530 63.600 1.930 1 1 742 . 18 1 1 A 76 76 SER N N 76 118.860 116.106 2.754 1 1 743 . 18 1 1 A 77 77 ASP H H 77 8.541 8.863 -0.322 1 1 744 . 18 1 1 A 77 77 ASP HA H 77 4.344 4.352 -0.008 1 1 747 . 18 1 1 A 77 77 ASP C C 77 177.590 175.655 1.935 1 1 748 . 18 1 1 A 77 77 ASP CA C 77 58.380 56.643 1.737 1 1 749 . 18 1 1 A 77 77 ASP CB C 77 42.110 40.824 1.286 1 1 750 . 18 1 1 A 77 77 ASP N N 77 126.720 125.358 1.362 1 1 751 . 18 1 1 A 78 78 ILE H H 78 8.571 7.227 1.344 1 1 752 . 18 1 1 A 78 78 ILE HA H 78 3.563 4.212 -0.649 1 1 762 . 18 1 1 A 78 78 ILE C C 78 172.930 173.887 -0.957 1 1 763 . 18 1 1 A 78 78 ILE CA C 78 60.880 59.244 1.636 1 1 764 . 18 1 1 A 78 78 ILE CB C 78 37.410 40.785 -3.375 1 1 765 . 18 1 1 A 78 78 ILE N N 78 120.210 117.933 2.277 1 1 766 . 18 1 1 A 79 79 PHE H H 79 8.018 9.091 -1.073 1 1 767 . 18 1 1 A 79 79 PHE HA H 79 5.018 4.906 0.112 1 1 775 . 18 1 1 A 79 79 PHE C C 79 174.130 174.045 0.085 1 1 776 . 18 1 1 A 79 79 PHE CA C 79 55.780 57.635 -1.855 1 1 777 . 18 1 1 A 79 79 PHE CB C 79 39.170 40.666 -1.496 1 1 778 . 18 1 1 A 79 79 PHE N N 79 127.300 131.009 -3.709 1 1 779 . 18 1 1 A 80 80 LEU H H 80 7.695 8.462 -0.767 1 1 780 . 18 1 1 A 80 80 LEU HA H 80 3.619 5.166 -1.547 1 1 790 . 18 1 1 A 80 80 LEU C C 80 173.720 174.693 -0.973 1 1 791 . 18 1 1 A 80 80 LEU CA C 80 52.340 53.096 -0.756 1 1 792 . 18 1 1 A 80 80 LEU CB C 80 41.770 45.131 -3.361 1 1 793 . 18 1 1 A 80 80 LEU N N 80 131.810 127.995 3.815 1 1 794 . 18 1 1 A 81 81 ASP H H 81 7.974 9.017 -1.043 1 1 795 . 18 1 1 A 81 81 ASP HA H 81 4.141 5.549 -1.408 1 1 798 . 18 1 1 A 81 81 ASP C C 81 175.130 174.380 0.750 1 1 799 . 18 1 1 A 81 81 ASP CA C 81 53.210 52.808 0.402 1 1 800 . 18 1 1 A 81 81 ASP CB C 81 39.930 44.488 -4.558 1 1 801 . 18 1 1 A 81 81 ASP N N 81 121.130 124.065 -2.935 1 1 802 . 18 1 1 A 82 82 ASP H H 82 7.583 8.609 -1.026 1 1 803 . 18 1 1 A 82 82 ASP HA H 82 4.859 5.054 -0.195 1 1 806 . 18 1 1 A 82 82 ASP C C 82 176.760 175.166 1.594 1 1 807 . 18 1 1 A 82 82 ASP CA C 82 54.980 52.998 1.982 1 1 808 . 18 1 1 A 82 82 ASP CB C 82 39.170 44.263 -5.093 1 1 809 . 18 1 1 A 82 82 ASP N N 82 121.540 124.585 -3.045 1 1 810 . 18 1 1 A 83 83 VAL H H 83 8.344 8.337 0.007 1 1 811 . 18 1 1 A 83 83 VAL HA H 83 4.012 3.753 0.259 1 1 819 . 18 1 1 A 83 83 VAL C C 83 174.860 176.298 -1.438 1 1 820 . 18 1 1 A 83 83 VAL CA C 83 65.330 65.001 0.329 1 1 821 . 18 1 1 A 83 83 VAL CB C 83 31.530 31.822 -0.292 1 1 822 . 18 1 1 A 83 83 VAL N N 83 122.260 120.831 1.429 1 1 823 . 18 1 1 A 84 84 THR H H 84 8.268 7.571 0.697 1 1 824 . 18 1 1 A 84 84 THR HA H 84 4.540 4.989 -0.449 1 1 828 . 18 1 1 A 84 84 THR C C 84 175.360 173.172 2.188 1 1 829 . 18 1 1 A 84 84 THR CA C 84 63.810 61.331 2.479 1 1 830 . 18 1 1 A 84 84 THR CB C 84 70.900 71.786 -0.886 1 1 831 . 18 1 1 A 84 84 THR N N 84 110.620 113.478 -2.858 1 1 832 . 18 1 1 A 85 85 VAL H H 85 8.579 8.997 -0.418 1 1 833 . 18 1 1 A 85 85 VAL HA H 85 4.254 4.533 -0.279 1 1 841 . 18 1 1 A 85 85 VAL C C 85 177.070 175.327 1.743 1 1 842 . 18 1 1 A 85 85 VAL CA C 85 61.930 60.802 1.128 1 1 843 . 18 1 1 A 85 85 VAL CB C 85 32.450 34.081 -1.631 1 1 844 . 18 1 1 A 85 85 VAL N N 85 126.860 129.156 -2.296 1 1 845 . 18 1 1 A 86 86 SER H H 86 11.668 8.831 2.837 1 1 846 . 18 1 1 A 86 86 SER HA H 86 5.203 4.679 0.524 1 1 849 . 18 1 1 A 86 86 SER C C 86 175.470 175.691 -0.221 1 1 850 . 18 1 1 A 86 86 SER CA C 86 61.600 57.928 3.672 1 1 851 . 18 1 1 A 86 86 SER CB C 86 64.270 63.776 0.494 1 1 852 . 18 1 1 A 86 86 SER N N 86 128.670 122.236 6.434 1 1 853 . 18 1 1 A 87 87 ARG H H 87 10.946 8.746 2.200 1 1 854 . 18 1 1 A 87 87 ARG HA H 87 5.179 4.003 1.176 1 1 862 . 18 1 1 A 87 87 ARG C C 87 177.110 176.022 1.088 1 1 863 . 18 1 1 A 87 87 ARG CA C 87 60.810 58.999 1.811 1 1 864 . 18 1 1 A 87 87 ARG CB C 87 29.010 29.712 -0.702 1 1 865 . 18 1 1 A 87 87 ARG N N 87 126.810 123.363 3.447 1 1 867 . 18 1 1 A 88 88 ARG H H 88 7.946 7.848 0.098 1 1 868 . 18 1 1 A 88 88 ARG HA H 88 4.459 4.611 -0.152 1 1 876 . 18 1 1 A 88 88 ARG C C 88 172.990 175.610 -2.620 1 1 877 . 18 1 1 A 88 88 ARG CA C 88 55.060 54.421 0.639 1 1 878 . 18 1 1 A 88 88 ARG CB C 88 29.770 32.252 -2.482 1 1 879 . 18 1 1 A 88 88 ARG N N 88 115.670 118.767 -3.097 1 1 881 . 18 1 1 A 89 89 HIS H H 89 7.613 8.536 -0.923 1 1 882 . 18 1 1 A 89 89 HIS HA H 89 4.437 4.443 -0.006 1 1 888 . 18 1 1 A 89 89 HIS C C 89 174.050 174.861 -0.811 1 1 889 . 18 1 1 A 89 89 HIS CA C 89 58.420 58.354 0.066 1 1 890 . 18 1 1 A 89 89 HIS CB C 89 32.620 31.498 1.122 1 1 891 . 18 1 1 A 89 89 HIS N N 89 124.000 124.619 -0.619 1 1 893 . 18 1 1 A 90 90 ALA H H 90 8.454 7.278 1.176 1 1 894 . 18 1 1 A 90 90 ALA HA H 90 5.529 4.574 0.955 1 1 898 . 18 1 1 A 90 90 ALA C C 90 176.260 174.884 1.376 1 1 899 . 18 1 1 A 90 90 ALA CA C 90 50.240 51.294 -1.054 1 1 900 . 18 1 1 A 90 90 ALA CB C 90 23.220 22.826 0.394 1 1 901 . 18 1 1 A 90 90 ALA N N 90 116.480 118.063 -1.583 1 1 902 . 18 1 1 A 91 91 GLU H H 91 9.216 8.819 0.397 1 1 903 . 18 1 1 A 91 91 GLU HA H 91 4.931 4.788 0.143 1 1 908 . 18 1 1 A 91 91 GLU C C 91 173.910 174.053 -0.143 1 1 909 . 18 1 1 A 91 91 GLU CA C 91 54.690 54.431 0.259 1 1 910 . 18 1 1 A 91 91 GLU CB C 91 34.720 33.114 1.606 1 1 911 . 18 1 1 A 91 91 GLU N N 91 118.140 117.134 1.006 1 1 912 . 18 1 1 A 92 92 PHE H H 92 9.330 9.125 0.205 1 1 913 . 18 1 1 A 92 92 PHE HA H 92 5.502 5.158 0.344 1 1 921 . 18 1 1 A 92 92 PHE C C 92 176.650 174.953 1.697 1 1 922 . 18 1 1 A 92 92 PHE CA C 92 56.760 56.739 0.021 1 1 923 . 18 1 1 A 92 92 PHE CB C 92 41.690 40.192 1.498 1 1 924 . 18 1 1 A 92 92 PHE N N 92 119.490 121.991 -2.501 1 1 925 . 18 1 1 A 93 93 ARG H H 93 9.846 9.427 0.419 1 1 926 . 18 1 1 A 93 93 ARG HA H 93 5.610 4.949 0.661 1 1 934 . 18 1 1 A 93 93 ARG C C 93 175.010 174.940 0.070 1 1 935 . 18 1 1 A 93 93 ARG CA C 93 54.580 54.750 -0.170 1 1 936 . 18 1 1 A 93 93 ARG CB C 93 34.220 33.128 1.092 1 1 937 . 18 1 1 A 93 93 ARG N N 93 127.300 123.974 3.326 1 1 939 . 18 1 1 A 94 94 ILE H H 94 8.521 8.653 -0.132 1 1 940 . 18 1 1 A 94 94 ILE HA H 94 4.410 4.811 -0.401 1 1 950 . 18 1 1 A 94 94 ILE C C 94 176.420 174.403 2.017 1 1 951 . 18 1 1 A 94 94 ILE CA C 94 61.130 60.101 1.029 1 1 952 . 18 1 1 A 94 94 ILE CB C 94 38.830 38.509 0.321 1 1 953 . 18 1 1 A 94 94 ILE N N 94 121.680 124.538 -2.858 1 1 954 . 18 1 1 A 95 95 ASN H H 95 8.847 9.240 -0.393 1 1 955 . 18 1 1 A 95 95 ASN HA H 95 4.796 5.113 -0.317 1 1 960 . 18 1 1 A 95 95 ASN C C 95 174.430 174.413 0.017 1 1 961 . 18 1 1 A 95 95 ASN CA C 95 52.560 52.098 0.462 1 1 962 . 18 1 1 A 95 95 ASN CB C 95 40.510 40.705 -0.195 1 1 963 . 18 1 1 A 95 95 ASN N N 95 127.100 125.683 1.417 1 1 965 . 18 1 1 A 96 96 GLU H H 96 9.303 9.468 -0.165 1 1 966 . 18 1 1 A 96 96 GLU HA H 96 3.768 4.008 -0.240 1 1 971 . 18 1 1 A 96 96 GLU C C 96 176.280 176.418 -0.138 1 1 972 . 18 1 1 A 96 96 GLU CA C 96 57.150 57.552 -0.402 1 1 973 . 18 1 1 A 96 96 GLU CB C 96 27.590 27.939 -0.349 1 1 974 . 18 1 1 A 96 96 GLU N N 96 125.150 127.256 -2.106 1 1 975 . 18 1 1 A 97 97 GLY H H 97 7.937 8.408 -0.471 1 1 976 . 18 1 1 A 97 97 GLY HA2 H 97 4.042 3.677 0.365 1 1 977 . 18 1 1 A 97 97 GLY HA3 H 97 3.450 3.757 -0.307 1 1 978 . 18 1 1 A 97 97 GLY C C 97 172.990 173.547 -0.557 1 1 979 . 18 1 1 A 97 97 GLY CA C 97 45.390 45.204 0.186 1 1 980 . 18 1 1 A 97 97 GLY N N 97 104.330 104.769 -0.439 1 1 981 . 18 1 1 A 98 98 GLU H H 98 7.557 8.049 -0.492 1 1 982 . 18 1 1 A 98 98 GLU HA H 98 4.591 4.611 -0.020 1 1 987 . 18 1 1 A 98 98 GLU C C 98 174.530 175.752 -1.222 1 1 988 . 18 1 1 A 98 98 GLU CA C 98 54.770 54.924 -0.154 1 1 989 . 18 1 1 A 98 98 GLU CB C 98 32.290 31.477 0.813 1 1 990 . 18 1 1 A 98 98 GLU N N 98 119.350 119.920 -0.570 1 1 991 . 18 1 1 A 99 99 PHE H H 99 9.412 9.075 0.337 1 1 992 . 18 1 1 A 99 99 PHE HA H 99 5.007 5.300 -0.293 1 1 999 . 18 1 1 A 99 99 PHE C C 99 174.050 175.149 -1.099 1 1 1000 . 18 1 1 A 99 99 PHE CA C 99 57.260 56.889 0.371 1 1 1001 . 18 1 1 A 99 99 PHE CB C 99 42.110 40.540 1.570 1 1 1002 . 18 1 1 A 99 99 PHE N N 99 122.550 121.182 1.368 1 1 1003 . 18 1 1 A 100 100 GLU H H 100 9.444 9.654 -0.210 1 1 1004 . 18 1 1 A 100 100 GLU HA H 100 5.145 5.356 -0.211 1 1 1009 . 18 1 1 A 100 100 GLU C C 100 175.340 174.582 0.758 1 1 1010 . 18 1 1 A 100 100 GLU CA C 100 54.080 54.692 -0.612 1 1 1011 . 18 1 1 A 100 100 GLU CB C 100 34.720 33.013 1.707 1 1 1012 . 18 1 1 A 100 100 GLU N N 100 124.080 120.644 3.436 1 1 1013 . 18 1 1 A 101 101 VAL H H 101 8.726 9.392 -0.666 1 1 1014 . 18 1 1 A 101 101 VAL HA H 101 4.900 4.840 0.060 1 1 1022 . 18 1 1 A 101 101 VAL C C 101 172.510 175.526 -3.016 1 1 1023 . 18 1 1 A 101 101 VAL CA C 101 58.710 61.717 -3.007 1 1 1024 . 18 1 1 A 101 101 VAL CB C 101 33.550 33.260 0.290 1 1 1025 . 18 1 1 A 101 101 VAL N N 101 124.500 125.197 -0.697 1 1 1026 . 18 1 1 A 102 102 VAL H H 102 8.719 9.008 -0.289 1 1 1027 . 18 1 1 A 102 102 VAL HA H 102 4.578 5.016 -0.438 1 1 1035 . 18 1 1 A 102 102 VAL C C 102 175.380 173.955 1.425 1 1 1036 . 18 1 1 A 102 102 VAL CA C 102 60.370 59.411 0.959 1 1 1037 . 18 1 1 A 102 102 VAL CB C 102 36.060 34.756 1.304 1 1 1038 . 18 1 1 A 102 102 VAL N N 102 125.900 121.990 3.910 1 1 1039 . 18 1 1 A 103 103 ASP H H 103 8.626 9.446 -0.820 1 1 1040 . 18 1 1 A 103 103 ASP HA H 103 4.856 4.749 0.107 1 1 1043 . 18 1 1 A 103 103 ASP C C 103 177.300 176.747 0.553 1 1 1044 . 18 1 1 A 103 103 ASP CA C 103 54.580 54.510 0.070 1 1 1045 . 18 1 1 A 103 103 ASP CB C 103 44.210 41.813 2.397 1 1 1046 . 18 1 1 A 103 103 ASP N N 103 127.250 126.047 1.203 1 1 1047 . 18 1 1 A 104 104 VAL H H 104 7.890 8.930 -1.040 1 1 1048 . 18 1 1 A 104 104 VAL HA H 104 4.527 4.513 0.014 1 1 1056 . 18 1 1 A 104 104 VAL C C 104 174.490 175.626 -1.136 1 1 1057 . 18 1 1 A 104 104 VAL CA C 104 60.630 60.751 -0.121 1 1 1058 . 18 1 1 A 104 104 VAL CB C 104 29.350 33.102 -3.752 1 1 1059 . 18 1 1 A 104 104 VAL N N 104 119.270 120.410 -1.140 1 1 1060 . 18 1 1 A 105 105 GLY H H 105 8.690 7.209 1.481 1 1 1061 . 18 1 1 A 105 105 GLY HA2 H 105 4.270 3.931 0.339 1 1 1062 . 18 1 1 A 105 105 GLY HA3 H 105 3.685 3.965 -0.280 1 1 1063 . 18 1 1 A 105 105 GLY C C 105 175.490 173.099 2.391 1 1 1064 . 18 1 1 A 105 105 GLY CA C 105 45.650 45.579 0.071 1 1 1065 . 18 1 1 A 105 105 GLY N N 105 111.790 110.034 1.756 1 1 1066 . 18 1 1 A 106 106 SER H H 106 9.218 8.783 0.435 1 1 1067 . 18 1 1 A 106 106 SER HA H 106 3.894 4.382 -0.488 1 1 1070 . 18 1 1 A 106 106 SER C C 106 174.590 173.912 0.678 1 1 1071 . 18 1 1 A 106 106 SER CA C 106 58.600 57.649 0.951 1 1 1072 . 18 1 1 A 106 106 SER CB C 106 61.250 60.896 0.354 1 1 1073 . 18 1 1 A 106 106 SER N N 106 121.540 117.968 3.572 1 1 1074 . 18 1 1 A 107 107 LEU H H 107 8.018 8.336 -0.318 1 1 1075 . 18 1 1 A 107 107 LEU HA H 107 4.240 4.020 0.220 1 1 1085 . 18 1 1 A 107 107 LEU C C 107 179.420 177.826 1.594 1 1 1086 . 18 1 1 A 107 107 LEU CA C 107 57.590 57.107 0.483 1 1 1087 . 18 1 1 A 107 107 LEU CB C 107 42.360 42.087 0.273 1 1 1088 . 18 1 1 A 107 107 LEU N N 107 121.520 125.580 -4.060 1 1 1089 . 18 1 1 A 108 108 ASN H H 108 8.799 7.589 1.210 1 1 1090 . 18 1 1 A 108 108 ASN HA H 108 4.986 4.520 0.466 1 1 1093 . 18 1 1 A 108 108 ASN C C 108 175.950 175.446 0.504 1 1 1094 . 18 1 1 A 108 108 ASN CA C 108 54.440 53.095 1.345 1 1 1095 . 18 1 1 A 108 108 ASN CB C 108 41.180 39.620 1.560 1 1 1096 . 18 1 1 A 108 108 ASN N N 108 111.800 114.804 -3.004 1 1 1097 . 18 1 1 A 109 109 GLY H H 109 8.025 7.759 0.266 1 1 1098 . 18 1 1 A 109 109 GLY HA2 H 109 4.237 3.761 0.476 1 1 1099 . 18 1 1 A 109 109 GLY HA3 H 109 3.621 3.815 -0.194 1 1 1100 . 18 1 1 A 109 109 GLY C C 109 173.820 174.322 -0.502 1 1 1101 . 18 1 1 A 109 109 GLY CA C 109 44.340 46.104 -1.764 1 1 1102 . 18 1 1 A 109 109 GLY N N 109 110.600 107.114 3.486 1 1 1103 . 18 1 1 A 110 110 THR H H 110 8.770 8.654 0.116 1 1 1104 . 18 1 1 A 110 110 THR HA H 110 4.797 4.211 0.586 1 1 1109 . 18 1 1 A 110 110 THR C C 110 172.570 173.735 -1.165 1 1 1110 . 18 1 1 A 110 110 THR CA C 110 64.540 63.154 1.386 1 1 1111 . 18 1 1 A 110 110 THR CB C 110 70.230 69.452 0.778 1 1 1112 . 18 1 1 A 110 110 THR N N 110 121.240 117.315 3.925 1 1 1113 . 18 1 1 A 111 111 TYR H H 111 8.272 8.975 -0.703 1 1 1114 . 18 1 1 A 111 111 TYR HA H 111 5.155 5.454 -0.299 1 1 1121 . 18 1 1 A 111 111 TYR C C 111 175.860 175.365 0.495 1 1 1122 . 18 1 1 A 111 111 TYR CA C 111 55.820 57.374 -1.554 1 1 1123 . 18 1 1 A 111 111 TYR CB C 111 41.100 40.071 1.029 1 1 1124 . 18 1 1 A 111 111 TYR N N 111 123.680 127.261 -3.581 1 1 1125 . 18 1 1 A 112 112 VAL H H 112 9.017 9.094 -0.077 1 1 1126 . 18 1 1 A 112 112 VAL HA H 112 4.951 4.599 0.352 1 1 1134 . 18 1 1 A 112 112 VAL C C 112 176.780 175.855 0.925 1 1 1135 . 18 1 1 A 112 112 VAL CA C 112 61.130 61.005 0.125 1 1 1136 . 18 1 1 A 112 112 VAL CB C 112 32.870 34.576 -1.706 1 1 1137 . 18 1 1 A 112 112 VAL N N 112 121.300 123.188 -1.888 1 1 1138 . 18 1 1 A 113 113 ASN H H 113 10.285 9.921 0.364 1 1 1139 . 18 1 1 A 113 113 ASN HA H 113 4.483 4.440 0.043 1 1 1144 . 18 1 1 A 113 113 ASN C C 113 174.590 174.403 0.187 1 1 1145 . 18 1 1 A 113 113 ASN CA C 113 55.160 54.724 0.436 1 1 1146 . 18 1 1 A 113 113 ASN CB C 113 37.240 36.879 0.361 1 1 1147 . 18 1 1 A 113 113 ASN N N 113 129.510 127.020 2.490 1 1 1149 . 18 1 1 A 114 114 ARG H H 114 9.459 8.318 1.141 1 1 1150 . 18 1 1 A 114 114 ARG HA H 114 3.659 3.857 -0.198 1 1 1158 . 18 1 1 A 114 114 ARG C C 114 174.900 174.344 0.556 1 1 1159 . 18 1 1 A 114 114 ARG CA C 114 58.280 57.907 0.373 1 1 1160 . 18 1 1 A 114 114 ARG CB C 114 27.250 27.042 0.208 1 1 1161 . 18 1 1 A 114 114 ARG N N 114 106.570 108.877 -2.307 1 1 1163 . 18 1 1 A 115 115 GLU H H 115 7.827 7.624 0.203 1 1 1164 . 18 1 1 A 115 115 GLU HA H 115 5.153 4.886 0.267 1 1 1169 . 18 1 1 A 115 115 GLU C C 115 173.950 174.169 -0.219 1 1 1170 . 18 1 1 A 115 115 GLU CA C 115 52.990 53.248 -0.258 1 1 1171 . 18 1 1 A 115 115 GLU N N 115 119.780 117.859 1.921 1 1 1172 . 18 1 1 A 116 116 PRO HA H 116 3.983 4.063 -0.080 1 1 1177 . 18 1 1 A 116 116 PRO C C 116 177.780 175.170 2.610 1 1 1178 . 18 1 1 A 116 116 PRO CA C 116 62.910 63.036 -0.126 1 1 1179 . 18 1 1 A 116 116 PRO CB C 116 31.200 31.894 -0.694 1 1 1180 . 18 1 1 A 117 117 ARG H H 117 8.414 8.595 -0.181 1 1 1181 . 18 1 1 A 117 117 ARG HA H 117 4.699 4.891 -0.192 1 1 1189 . 18 1 1 A 117 117 ARG C C 117 175.260 174.244 1.016 1 1 1190 . 18 1 1 A 117 117 ARG CA C 117 52.990 54.759 -1.769 1 1 1191 . 18 1 1 A 117 117 ARG CB C 117 24.560 33.737 -9.177 1 1 1192 . 18 1 1 A 117 117 ARG N N 117 121.900 123.262 -1.362 1 1 1194 . 18 1 1 A 118 118 ASN H H 118 8.741 8.845 -0.104 1 1 1195 . 18 1 1 A 118 118 ASN HA H 118 4.731 4.988 -0.257 1 1 1200 . 18 1 1 A 118 118 ASN C C 118 175.220 175.343 -0.123 1 1 1201 . 18 1 1 A 118 118 ASN CA C 118 55.090 54.055 1.035 1 1 1202 . 18 1 1 A 118 118 ASN CB C 118 38.920 41.222 -2.302 1 1 1203 . 18 1 1 A 118 118 ASN N N 118 120.190 120.248 -0.058 1 1 1205 . 18 1 1 A 119 119 ALA H H 119 7.372 7.761 -0.389 1 1 1206 . 18 1 1 A 119 119 ALA HA H 119 5.319 4.977 0.342 1 1 1210 . 18 1 1 A 119 119 ALA C C 119 176.720 175.252 1.468 1 1 1211 . 18 1 1 A 119 119 ALA CA C 119 52.120 51.522 0.598 1 1 1212 . 18 1 1 A 119 119 ALA CB C 119 21.460 22.363 -0.903 1 1 1213 . 18 1 1 A 119 119 ALA N N 119 120.380 118.273 2.107 1 1 1214 . 18 1 1 A 120 120 GLN H H 120 8.787 8.812 -0.025 1 1 1215 . 18 1 1 A 120 120 GLN HA H 120 4.505 4.670 -0.165 1 1 1222 . 18 1 1 A 120 120 GLN C C 120 174.380 173.990 0.390 1 1 1223 . 18 1 1 A 120 120 GLN CA C 120 56.030 55.085 0.945 1 1 1224 . 18 1 1 A 120 120 GLN CB C 120 32.790 32.885 -0.095 1 1 1225 . 18 1 1 A 120 120 GLN N N 120 121.180 121.661 -0.481 1 1 1227 . 18 1 1 A 121 121 VAL H H 121 8.692 8.739 -0.047 1 1 1228 . 18 1 1 A 121 121 VAL HA H 121 4.258 4.416 -0.158 1 1 1236 . 18 1 1 A 121 121 VAL C C 121 176.510 176.118 0.392 1 1 1237 . 18 1 1 A 121 121 VAL CA C 121 64.140 62.619 1.521 1 1 1238 . 18 1 1 A 121 121 VAL CB C 121 31.700 32.017 -0.317 1 1 1239 . 18 1 1 A 121 121 VAL N N 121 129.930 127.044 2.886 1 1 1240 . 18 1 1 A 122 122 MET H H 122 8.924 8.997 -0.073 1 1 1241 . 18 1 1 A 122 122 MET HA H 122 4.419 5.053 -0.634 1 1 1249 . 18 1 1 A 122 122 MET C C 122 174.380 175.778 -1.398 1 1 1250 . 18 1 1 A 122 122 MET CA C 122 55.740 53.873 1.867 1 1 1251 . 18 1 1 A 122 122 MET CB C 122 35.140 34.100 1.040 1 1 1252 . 18 1 1 A 122 122 MET N N 122 129.560 126.521 3.039 1 1 1253 . 18 1 1 A 123 123 GLN H H 123 9.002 8.134 0.868 1 1 1254 . 18 1 1 A 123 123 GLN HA H 123 4.823 4.837 -0.014 1 1 1261 . 18 1 1 A 123 123 GLN C C 123 175.530 175.458 0.072 1 1 1262 . 18 1 1 A 123 123 GLN CA C 123 53.570 54.389 -0.819 1 1 1263 . 18 1 1 A 123 123 GLN CB C 123 32.290 31.769 0.521 1 1 1264 . 18 1 1 A 123 123 GLN N N 123 119.810 120.996 -1.186 1 1 1266 . 18 1 1 A 124 124 THR H H 124 9.036 8.149 0.887 1 1 1267 . 18 1 1 A 124 124 THR HA H 124 4.208 4.262 -0.054 1 1 1272 . 18 1 1 A 124 124 THR C C 124 175.300 175.605 -0.305 1 1 1273 . 18 1 1 A 124 124 THR CA C 124 65.510 63.855 1.655 1 1 1274 . 18 1 1 A 124 124 THR CB C 124 69.560 68.683 0.877 1 1 1275 . 18 1 1 A 124 124 THR N N 124 119.570 116.948 2.622 1 1 1276 . 18 1 1 A 125 125 GLY H H 125 9.921 9.419 0.502 1 1 1277 . 18 1 1 A 125 125 GLY HA2 H 125 4.552 3.993 0.559 1 1 1278 . 18 1 1 A 125 125 GLY HA3 H 125 3.480 4.004 -0.524 1 1 1279 . 18 1 1 A 125 125 GLY C C 125 174.650 174.263 0.387 1 1 1280 . 18 1 1 A 125 125 GLY CA C 125 44.710 44.990 -0.280 1 1 1281 . 18 1 1 A 125 125 GLY N N 125 117.920 117.166 0.754 1 1 1282 . 18 1 1 A 126 126 ASP H H 126 8.638 7.995 0.643 1 1 1283 . 18 1 1 A 126 126 ASP HA H 126 4.876 4.639 0.237 1 1 1286 . 18 1 1 A 126 126 ASP C C 126 174.650 175.702 -1.052 1 1 1287 . 18 1 1 A 126 126 ASP CA C 126 56.140 54.335 1.805 1 1 1288 . 18 1 1 A 126 126 ASP CB C 126 41.690 42.131 -0.441 1 1 1289 . 18 1 1 A 126 126 ASP N N 126 123.190 122.429 0.761 1 1 1290 . 18 1 1 A 127 127 GLU H H 127 8.316 8.798 -0.482 1 1 1291 . 18 1 1 A 127 127 GLU HA H 127 5.341 5.108 0.233 1 1 1296 . 18 1 1 A 127 127 GLU C C 127 175.990 175.362 0.628 1 1 1297 . 18 1 1 A 127 127 GLU CA C 127 54.440 54.793 -0.353 1 1 1298 . 18 1 1 A 127 127 GLU CB C 127 32.790 32.510 0.280 1 1 1299 . 18 1 1 A 127 127 GLU N N 127 118.480 123.991 -5.511 1 1 1300 . 18 1 1 A 128 128 ILE H H 128 9.910 9.385 0.525 1 1 1301 . 18 1 1 A 128 128 ILE HA H 128 5.334 5.252 0.082 1 1 1311 . 18 1 1 A 128 128 ILE C C 128 174.700 174.211 0.489 1 1 1312 . 18 1 1 A 128 128 ILE CA C 128 59.470 60.442 -0.972 1 1 1313 . 18 1 1 A 128 128 ILE CB C 128 40.600 39.388 1.212 1 1 1314 . 18 1 1 A 128 128 ILE N N 128 128.810 125.047 3.763 1 1 1315 . 18 1 1 A 129 129 GLN H H 129 9.502 9.366 0.136 1 1 1316 . 18 1 1 A 129 129 GLN HA H 129 5.406 5.217 0.189 1 1 1323 . 18 1 1 A 129 129 GLN C C 129 174.950 174.699 0.251 1 1 1324 . 18 1 1 A 129 129 GLN CA C 129 54.800 54.305 0.495 1 1 1325 . 18 1 1 A 129 129 GLN CB C 129 30.690 31.956 -1.266 1 1 1326 . 18 1 1 A 129 129 GLN N N 129 129.270 128.728 0.542 1 1 1328 . 18 1 1 A 130 130 ILE H H 130 8.498 8.736 -0.238 1 1 1329 . 18 1 1 A 130 130 ILE HA H 130 4.116 4.743 -0.627 1 1 1339 . 18 1 1 A 130 130 ILE C C 130 174.860 175.916 -1.056 1 1 1340 . 18 1 1 A 130 130 ILE CA C 130 60.740 59.677 1.063 1 1 1341 . 18 1 1 A 130 130 ILE CB C 130 41.440 40.253 1.187 1 1 1342 . 18 1 1 A 130 130 ILE N N 130 129.070 127.076 1.994 1 1 1343 . 18 1 1 A 131 131 GLY H H 131 9.924 9.408 0.516 1 1 1344 . 18 1 1 A 131 131 GLY HA2 H 131 3.768 3.696 0.072 1 1 1345 . 18 1 1 A 131 131 GLY HA3 H 131 3.337 3.962 -0.625 1 1 1346 . 18 1 1 A 131 131 GLY C C 131 174.590 174.372 0.218 1 1 1347 . 18 1 1 A 131 131 GLY CA C 131 46.700 47.291 -0.591 1 1 1348 . 18 1 1 A 131 131 GLY N N 131 116.470 115.501 0.969 1 1 1349 . 18 1 1 A 132 132 LYS H H 132 7.141 7.713 -0.572 1 1 1350 . 18 1 1 A 132 132 LYS HA H 132 3.750 4.504 -0.754 1 1 1357 . 18 1 1 A 132 132 LYS C C 132 175.820 175.597 0.223 1 1 1358 . 18 1 1 A 132 132 LYS CA C 132 57.550 55.720 1.830 1 1 1359 . 18 1 1 A 132 132 LYS CB C 132 33.300 33.748 -0.448 1 1 1360 . 18 1 1 A 132 132 LYS N N 132 122.960 121.997 0.963 1 1 1361 . 18 1 1 A 133 133 PHE H H 133 8.360 7.314 1.046 1 1 1362 . 18 1 1 A 133 133 PHE HA H 133 4.601 5.439 -0.838 1 1 1370 . 18 1 1 A 133 133 PHE C C 133 174.910 172.922 1.988 1 1 1371 . 18 1 1 A 133 133 PHE CA C 133 58.600 55.447 3.153 1 1 1372 . 18 1 1 A 133 133 PHE CB C 133 40.510 42.356 -1.846 1 1 1373 . 18 1 1 A 133 133 PHE N N 133 118.170 115.937 2.233 1 1 1374 . 18 1 1 A 134 134 ARG H H 134 8.698 8.949 -0.251 1 1 1375 . 18 1 1 A 134 134 ARG HA H 134 5.212 5.242 -0.030 1 1 1383 . 18 1 1 A 134 134 ARG C C 134 175.150 174.430 0.720 1 1 1384 . 18 1 1 A 134 134 ARG CA C 134 55.060 54.422 0.638 1 1 1385 . 18 1 1 A 134 134 ARG CB C 134 33.550 34.103 -0.553 1 1 1386 . 18 1 1 A 134 134 ARG N N 134 120.770 118.894 1.876 1 1 1388 . 18 1 1 A 135 135 LEU H H 135 9.904 9.544 0.360 1 1 1389 . 18 1 1 A 135 135 LEU HA H 135 5.544 5.391 0.153 1 1 1399 . 18 1 1 A 135 135 LEU C C 135 175.260 176.063 -0.803 1 1 1400 . 18 1 1 A 135 135 LEU CA C 135 53.930 53.384 0.546 1 1 1401 . 18 1 1 A 135 135 LEU CB C 135 45.550 43.525 2.025 1 1 1402 . 18 1 1 A 135 135 LEU N N 135 127.130 124.241 2.889 1 1 1403 . 18 1 1 A 136 136 VAL H H 136 9.350 9.584 -0.234 1 1 1404 . 18 1 1 A 136 136 VAL HA H 136 5.226 4.700 0.526 1 1 1412 . 18 1 1 A 136 136 VAL C C 136 174.050 174.225 -0.175 1 1 1413 . 18 1 1 A 136 136 VAL CA C 136 60.520 60.896 -0.376 1 1 1414 . 18 1 1 A 136 136 VAL CB C 136 34.890 33.314 1.576 1 1 1415 . 18 1 1 A 136 136 VAL N N 136 121.300 123.351 -2.051 1 1 1416 . 18 1 1 A 137 137 PHE H H 137 8.492 9.423 -0.931 1 1 1417 . 18 1 1 A 137 137 PHE HA H 137 5.007 5.105 -0.098 1 1 1424 . 18 1 1 A 137 137 PHE C C 137 173.340 173.881 -0.541 1 1 1425 . 18 1 1 A 137 137 PHE CA C 137 57.010 55.966 1.044 1 1 1426 . 18 1 1 A 137 137 PHE CB C 137 41.770 41.489 0.281 1 1 1427 . 18 1 1 A 137 137 PHE N N 137 127.550 128.573 -1.023 1 1 1428 . 18 1 1 A 138 138 LEU H H 138 8.535 8.628 -0.093 1 1 1429 . 18 1 1 A 138 138 LEU HA H 138 4.345 4.772 -0.427 1 1 1439 . 18 1 1 A 138 138 LEU C C 138 173.390 175.123 -1.733 1 1 1440 . 18 1 1 A 138 138 LEU CA C 138 53.680 53.406 0.274 1 1 1441 . 18 1 1 A 138 138 LEU CB C 138 45.210 45.354 -0.144 1 1 1442 . 18 1 1 A 138 138 LEU N N 138 128.590 128.107 0.483 1 1 1443 . 18 1 1 A 139 139 ALA H H 139 7.502 8.706 -1.204 1 1 1444 . 18 1 1 A 139 139 ALA HA H 139 3.952 4.160 -0.208 1 1 1448 . 18 1 1 A 139 139 ALA C C 139 178.010 177.208 0.802 1 1 1449 . 18 1 1 A 139 139 ALA CA C 139 51.650 52.137 -0.487 1 1 1450 . 18 1 1 A 139 139 ALA CB C 139 20.700 18.866 1.834 1 1 1451 . 18 1 1 A 139 139 ALA N N 139 123.250 125.239 -1.989 1 1 1452 . 18 1 1 A 140 140 GLY H H 140 7.968 8.265 -0.297 1 1 1453 . 18 1 1 A 140 140 GLY HA2 H 140 4.202 3.951 0.251 1 1 1454 . 18 1 1 A 140 140 GLY HA3 H 140 3.595 3.963 -0.368 1 1 1455 . 18 1 1 A 140 140 GLY C C 140 171.240 174.044 -2.804 1 1 1456 . 18 1 1 A 140 140 GLY CA C 140 44.710 45.982 -1.272 1 1 1457 . 18 1 1 A 140 140 GLY N N 140 108.040 111.344 -3.304 1 1 1458 . 18 1 1 A 141 141 PRO HA H 141 4.460 4.705 -0.245 1 1 1463 . 18 1 1 A 141 141 PRO C C 141 176.150 176.366 -0.216 1 1 1464 . 18 1 1 A 141 141 PRO CA C 141 63.230 62.718 0.512 1 1 1465 . 18 1 1 A 141 141 PRO CB C 141 32.370 32.376 -0.006 1 1 1466 . 18 1 1 A 142 142 ALA H H 142 8.496 8.493 0.003 1 1 1467 . 18 1 1 A 142 142 ALA HA H 142 4.363 4.842 -0.479 1 1 1471 . 18 1 1 A 142 142 ALA C C 142 177.320 177.419 -0.099 1 1 1472 . 18 1 1 A 142 142 ALA CA C 142 52.740 51.090 1.650 1 1 1473 . 18 1 1 A 142 142 ALA CB C 142 19.780 19.712 0.068 1 1 1474 . 18 1 1 A 142 142 ALA N N 142 124.080 122.977 1.103 1 1 4 . 19 1 1 A 2 2 SER H H 2 8.404 8.654 -0.250 1 1 5 . 19 1 1 A 2 2 SER HA H 2 4.430 4.453 -0.023 1 1 8 . 19 1 1 A 2 2 SER C C 2 174.220 173.868 0.352 1 1 9 . 19 1 1 A 2 2 SER CA C 2 58.650 58.667 -0.017 1 1 10 . 19 1 1 A 2 2 SER CB C 2 64.280 64.055 0.225 1 1 11 . 19 1 1 A 2 2 SER N N 2 116.880 116.075 0.805 1 1 12 . 19 1 1 A 3 3 ASP H H 3 8.314 8.791 -0.477 1 1 13 . 19 1 1 A 3 3 ASP HA H 3 4.594 5.067 -0.473 1 1 16 . 19 1 1 A 3 3 ASP C C 3 176.070 174.827 1.243 1 1 17 . 19 1 1 A 3 3 ASP CA C 3 54.580 52.717 1.863 1 1 18 . 19 1 1 A 3 3 ASP CB C 3 41.530 42.291 -0.761 1 1 19 . 19 1 1 A 3 3 ASP N N 3 122.210 125.817 -3.607 1 1 20 . 19 1 1 A 4 4 ASN H H 4 8.326 9.168 -0.842 1 1 21 . 19 1 1 A 4 4 ASN HA H 4 4.748 5.511 -0.763 1 1 24 . 19 1 1 A 4 4 ASN C C 4 175.130 174.384 0.746 1 1 25 . 19 1 1 A 4 4 ASN CA C 4 53.430 51.949 1.481 1 1 26 . 19 1 1 A 4 4 ASN CB C 4 38.920 42.186 -3.266 1 1 27 . 19 1 1 A 4 4 ASN N N 4 118.670 124.333 -5.663 1 1 28 . 19 1 1 A 5 5 ASN H H 5 8.467 9.112 -0.645 1 1 29 . 19 1 1 A 5 5 ASN HA H 5 4.702 5.407 -0.705 1 1 32 . 19 1 1 A 5 5 ASN C C 5 175.700 175.214 0.486 1 1 33 . 19 1 1 A 5 5 ASN CA C 5 53.610 51.662 1.948 1 1 34 . 19 1 1 A 5 5 ASN CB C 5 39.090 41.611 -2.521 1 1 35 . 19 1 1 A 5 5 ASN N N 5 119.070 120.126 -1.056 1 1 36 . 19 1 1 A 6 6 GLY H H 6 8.333 8.757 -0.424 1 1 37 . 19 1 1 A 6 6 GLY HA2 H 6 3.960 4.002 -0.042 1 1 38 . 19 1 1 A 6 6 GLY HA3 H 6 3.960 4.002 -0.042 1 1 39 . 19 1 1 A 6 6 GLY C C 6 174.050 172.395 1.655 1 1 40 . 19 1 1 A 6 6 GLY CA C 6 45.390 45.761 -0.371 1 1 41 . 19 1 1 A 6 6 GLY N N 6 109.000 110.834 -1.834 1 1 42 . 19 1 1 A 7 7 THR H H 7 8.076 8.513 -0.437 1 1 43 . 19 1 1 A 7 7 THR HA H 7 4.591 4.752 -0.161 1 1 48 . 19 1 1 A 7 7 THR C C 7 172.840 173.005 -0.165 1 1 49 . 19 1 1 A 7 7 THR CA C 7 60.050 59.071 0.979 1 1 50 . 19 1 1 A 7 7 THR N N 7 116.910 119.005 -2.095 1 1 51 . 19 1 1 A 8 8 PRO HA H 8 4.414 4.714 -0.300 1 1 54 . 19 1 1 A 8 8 PRO C C 8 176.690 176.723 -0.033 1 1 55 . 19 1 1 A 8 8 PRO CA C 8 63.090 62.424 0.666 1 1 56 . 19 1 1 A 8 8 PRO CB C 8 32.290 32.473 -0.183 1 1 57 . 19 1 1 A 9 9 GLU H H 9 8.467 8.565 -0.098 1 1 58 . 19 1 1 A 9 9 GLU HA H 9 4.527 4.668 -0.141 1 1 63 . 19 1 1 A 9 9 GLU C C 9 174.680 174.913 -0.233 1 1 64 . 19 1 1 A 9 9 GLU CA C 9 54.550 53.990 0.560 1 1 65 . 19 1 1 A 9 9 GLU N N 9 122.910 121.753 1.157 1 1 66 . 19 1 1 A 10 10 PRO HA H 10 4.371 4.440 -0.069 1 1 71 . 19 1 1 A 10 10 PRO C C 10 176.820 176.617 0.203 1 1 72 . 19 1 1 A 10 10 PRO CA C 10 63.300 63.110 0.190 1 1 73 . 19 1 1 A 10 10 PRO CB C 10 32.290 32.067 0.223 1 1 74 . 19 1 1 A 11 11 GLN H H 11 8.543 8.522 0.021 1 1 75 . 19 1 1 A 11 11 GLN HA H 11 4.334 4.756 -0.422 1 1 82 . 19 1 1 A 11 11 GLN C C 11 176.010 174.933 1.077 1 1 83 . 19 1 1 A 11 11 GLN CA C 11 55.710 55.524 0.186 1 1 84 . 19 1 1 A 11 11 GLN CB C 11 29.520 30.621 -1.101 1 1 85 . 19 1 1 A 11 11 GLN N N 11 121.100 121.045 0.055 1 1 87 . 19 1 1 A 12 12 VAL H H 12 8.201 8.793 -0.592 1 1 88 . 19 1 1 A 12 12 VAL HA H 12 4.144 4.639 -0.495 1 1 96 . 19 1 1 A 12 12 VAL C C 12 175.940 174.571 1.369 1 1 97 . 19 1 1 A 12 12 VAL CA C 12 62.110 61.703 0.407 1 1 98 . 19 1 1 A 12 12 VAL CB C 12 32.800 32.772 0.028 1 1 99 . 19 1 1 A 12 12 VAL N N 12 122.070 124.732 -2.662 1 1 100 . 19 1 1 A 13 13 GLU H H 13 8.593 9.040 -0.447 1 1 101 . 19 1 1 A 13 13 GLU HA H 13 4.329 5.131 -0.802 1 1 106 . 19 1 1 A 13 13 GLU C C 13 176.720 175.286 1.434 1 1 107 . 19 1 1 A 13 13 GLU CA C 13 56.830 54.430 2.400 1 1 108 . 19 1 1 A 13 13 GLU CB C 13 30.860 33.297 -2.437 1 1 109 . 19 1 1 A 13 13 GLU N N 13 124.660 128.361 -3.701 1 1 138 . 19 1 1 A 17 17 VAL H H 17 8.458 8.699 -0.241 1 1 139 . 19 1 1 A 17 17 VAL HA H 17 4.183 4.492 -0.309 1 1 147 . 19 1 1 A 17 17 VAL C C 17 175.950 174.890 1.060 1 1 148 . 19 1 1 A 17 17 VAL CA C 17 63.780 62.170 1.610 1 1 149 . 19 1 1 A 17 17 VAL CB C 17 32.460 31.909 0.551 1 1 150 . 19 1 1 A 17 17 VAL N N 17 124.860 124.073 0.787 1 1 151 . 19 1 1 A 18 18 PHE H H 18 8.579 8.588 -0.009 1 1 152 . 19 1 1 A 18 18 PHE HA H 18 4.650 5.284 -0.634 1 1 160 . 19 1 1 A 18 18 PHE C C 18 173.450 173.927 -0.477 1 1 161 . 19 1 1 A 18 18 PHE CA C 18 57.480 56.277 1.203 1 1 162 . 19 1 1 A 18 18 PHE CB C 18 41.950 42.247 -0.297 1 1 163 . 19 1 1 A 18 18 PHE N N 18 127.160 128.503 -1.343 1 1 164 . 19 1 1 A 19 19 ARG H H 19 7.920 8.373 -0.453 1 1 165 . 19 1 1 A 19 19 ARG HA H 19 4.196 5.142 -0.946 1 1 170 . 19 1 1 A 19 19 ARG C C 19 174.930 174.772 0.158 1 1 171 . 19 1 1 A 19 19 ARG CA C 19 54.800 54.453 0.347 1 1 172 . 19 1 1 A 19 19 ARG CB C 19 30.610 33.860 -3.250 1 1 173 . 19 1 1 A 19 19 ARG N N 19 127.500 126.236 1.264 1 1 174 . 19 1 1 A 20 20 ALA H H 20 8.067 8.603 -0.536 1 1 175 . 19 1 1 A 20 20 ALA HA H 20 3.729 4.709 -0.980 1 1 179 . 19 1 1 A 20 20 ALA C C 20 177.630 177.499 0.131 1 1 180 . 19 1 1 A 20 20 ALA CA C 20 53.280 50.588 2.692 1 1 181 . 19 1 1 A 20 20 ALA CB C 20 18.860 23.556 -4.696 1 1 182 . 19 1 1 A 20 20 ALA N N 20 126.460 123.530 2.930 1 1 183 . 19 1 1 A 21 21 ASP H H 21 8.355 9.093 -0.738 1 1 184 . 19 1 1 A 21 21 ASP HA H 21 4.350 4.430 -0.080 1 1 187 . 19 1 1 A 21 21 ASP C C 21 176.720 177.366 -0.646 1 1 188 . 19 1 1 A 21 21 ASP CA C 21 54.480 55.416 -0.936 1 1 189 . 19 1 1 A 21 21 ASP CB C 21 40.350 39.769 0.581 1 1 190 . 19 1 1 A 21 21 ASP N N 21 117.850 118.865 -1.015 1 1 191 . 19 1 1 A 22 22 LEU H H 22 7.705 7.869 -0.164 1 1 192 . 19 1 1 A 22 22 LEU HA H 22 4.088 3.962 0.126 1 1 202 . 19 1 1 A 22 22 LEU C C 22 177.760 178.273 -0.513 1 1 203 . 19 1 1 A 22 22 LEU CA C 22 55.780 58.027 -2.247 1 1 204 . 19 1 1 A 22 22 LEU CB C 22 41.860 41.375 0.485 1 1 205 . 19 1 1 A 22 22 LEU N N 22 121.600 119.712 1.888 1 1 206 . 19 1 1 A 23 23 LEU H H 23 7.717 7.953 -0.236 1 1 207 . 19 1 1 A 23 23 LEU HA H 23 4.166 3.980 0.186 1 1 217 . 19 1 1 A 23 23 LEU C C 23 177.840 178.609 -0.769 1 1 218 . 19 1 1 A 23 23 LEU CA C 23 55.960 57.443 -1.483 1 1 219 . 19 1 1 A 23 23 LEU CB C 23 41.950 41.422 0.528 1 1 220 . 19 1 1 A 23 23 LEU N N 23 120.360 118.834 1.526 1 1 221 . 19 1 1 A 24 24 LYS H H 24 7.933 8.023 -0.090 1 1 222 . 19 1 1 A 24 24 LYS HA H 24 4.174 4.109 0.065 1 1 229 . 19 1 1 A 24 24 LYS C C 24 177.190 178.215 -1.025 1 1 230 . 19 1 1 A 24 24 LYS CA C 24 57.050 58.758 -1.708 1 1 231 . 19 1 1 A 24 24 LYS CB C 24 32.880 32.443 0.437 1 1 232 . 19 1 1 A 24 24 LYS N N 24 121.120 118.877 2.243 1 1 233 . 19 1 1 A 25 25 GLU H H 25 8.160 7.847 0.313 1 1 234 . 19 1 1 A 25 25 GLU HA H 25 4.199 4.267 -0.068 1 1 239 . 19 1 1 A 25 25 GLU C C 25 176.900 178.918 -2.018 1 1 240 . 19 1 1 A 25 25 GLU CA C 25 57.010 58.433 -1.423 1 1 241 . 19 1 1 A 25 25 GLU CB C 25 30.280 30.079 0.201 1 1 242 . 19 1 1 A 25 25 GLU N N 25 121.550 118.893 2.657 1 1 243 . 19 1 1 A 26 26 MET H H 26 8.270 8.720 -0.450 1 1 244 . 19 1 1 A 26 26 MET HA H 26 4.360 4.201 0.159 1 1 252 . 19 1 1 A 26 26 MET C C 26 176.440 178.129 -1.689 1 1 253 . 19 1 1 A 26 26 MET CA C 26 56.180 56.893 -0.713 1 1 254 . 19 1 1 A 26 26 MET CB C 26 33.050 31.659 1.391 1 1 255 . 19 1 1 A 26 26 MET N N 26 120.730 117.804 2.926 1 1 256 . 19 1 1 A 27 27 GLU H H 27 8.297 8.153 0.144 1 1 257 . 19 1 1 A 27 27 GLU HA H 27 4.264 4.083 0.181 1 1 262 . 19 1 1 A 27 27 GLU C C 27 176.650 179.086 -2.436 1 1 263 . 19 1 1 A 27 27 GLU CA C 27 56.830 59.090 -2.260 1 1 264 . 19 1 1 A 27 27 GLU CB C 27 30.530 29.261 1.269 1 1 265 . 19 1 1 A 27 27 GLU N N 27 121.650 120.682 0.968 1 1 266 . 19 1 1 A 28 28 SER H H 28 8.279 7.885 0.394 1 1 267 . 19 1 1 A 28 28 SER HA H 28 4.473 4.197 0.276 1 1 270 . 19 1 1 A 28 28 SER C C 28 174.760 176.723 -1.963 1 1 271 . 19 1 1 A 28 28 SER CA C 28 58.460 61.438 -2.978 1 1 272 . 19 1 1 A 28 28 SER CB C 28 64.190 62.347 1.843 1 1 273 . 19 1 1 A 28 28 SER N N 28 116.610 114.905 1.705 1 1 274 . 19 1 1 A 29 29 SER H H 29 8.443 7.696 0.747 1 1 275 . 19 1 1 A 29 29 SER HA H 29 4.541 4.407 0.134 1 1 278 . 19 1 1 A 29 29 SER C C 29 174.950 174.633 0.317 1 1 279 . 19 1 1 A 29 29 SER CA C 29 58.530 59.661 -1.131 1 1 280 . 19 1 1 A 29 29 SER CB C 29 64.190 63.214 0.976 1 1 281 . 19 1 1 A 29 29 SER N N 29 118.290 114.916 3.374 1 1 282 . 19 1 1 A 30 30 THR H H 30 8.220 7.324 0.896 1 1 283 . 19 1 1 A 30 30 THR HA H 30 4.372 4.449 -0.077 1 1 288 . 19 1 1 A 30 30 THR C C 30 175.280 173.868 1.412 1 1 289 . 19 1 1 A 30 30 THR CA C 30 62.260 61.470 0.790 1 1 290 . 19 1 1 A 30 30 THR CB C 30 69.900 66.663 3.237 1 1 291 . 19 1 1 A 30 30 THR N N 30 115.600 117.471 -1.871 1 1 292 . 19 1 1 A 31 31 GLY H H 31 8.401 8.195 0.206 1 1 293 . 19 1 1 A 31 31 GLY HA2 H 31 4.005 4.034 -0.029 1 1 294 . 19 1 1 A 31 31 GLY HA3 H 31 4.005 4.034 -0.029 1 1 295 . 19 1 1 A 31 31 GLY C C 31 174.160 173.036 1.124 1 1 296 . 19 1 1 A 31 31 GLY CA C 31 45.470 45.311 0.159 1 1 297 . 19 1 1 A 31 31 GLY N N 31 111.270 113.214 -1.944 1 1 298 . 19 1 1 A 32 32 THR H H 32 8.034 8.265 -0.231 1 1 299 . 19 1 1 A 32 32 THR HA H 32 4.319 4.921 -0.602 1 1 304 . 19 1 1 A 32 32 THR C C 32 174.130 174.174 -0.044 1 1 305 . 19 1 1 A 32 32 THR CA C 32 61.710 62.514 -0.804 1 1 306 . 19 1 1 A 32 32 THR CB C 32 70.150 69.631 0.519 1 1 307 . 19 1 1 A 32 32 THR N N 32 113.770 116.595 -2.825 1 1 308 . 19 1 1 A 33 33 ALA H H 33 8.410 8.724 -0.314 1 1 309 . 19 1 1 A 33 33 ALA HA H 33 4.581 4.780 -0.199 1 1 313 . 19 1 1 A 33 33 ALA C C 33 175.490 175.358 0.132 1 1 314 . 19 1 1 A 33 33 ALA CA C 33 50.680 48.858 1.822 1 1 315 . 19 1 1 A 33 33 ALA N N 33 128.320 129.020 -0.700 1 1 316 . 19 1 1 A 34 34 PRO HA H 34 4.389 4.546 -0.157 1 1 321 . 19 1 1 A 34 34 PRO C C 34 176.650 176.470 0.180 1 1 322 . 19 1 1 A 34 34 PRO CA C 34 63.090 62.358 0.732 1 1 323 . 19 1 1 A 34 34 PRO CB C 34 32.210 32.476 -0.266 1 1 324 . 19 1 1 A 35 35 ALA H H 35 8.433 8.249 0.184 1 1 325 . 19 1 1 A 35 35 ALA HA H 35 4.275 4.511 -0.236 1 1 329 . 19 1 1 A 35 35 ALA C C 35 177.730 177.237 0.493 1 1 330 . 19 1 1 A 35 35 ALA CA C 35 52.590 51.799 0.791 1 1 331 . 19 1 1 A 35 35 ALA CB C 35 19.450 19.640 -0.190 1 1 332 . 19 1 1 A 35 35 ALA N N 35 124.330 124.184 0.146 1 1 333 . 19 1 1 A 36 36 SER H H 36 8.259 8.208 0.051 1 1 334 . 19 1 1 A 36 36 SER HA H 36 4.474 4.613 -0.139 1 1 337 . 19 1 1 A 36 36 SER C C 36 174.860 174.381 0.479 1 1 338 . 19 1 1 A 36 36 SER CA C 36 58.130 59.550 -1.420 1 1 339 . 19 1 1 A 36 36 SER CB C 36 64.190 63.230 0.960 1 1 340 . 19 1 1 A 36 36 SER N N 36 114.560 119.408 -4.848 1 1 341 . 19 1 1 A 37 37 THR H H 37 8.325 8.609 -0.284 1 1 342 . 19 1 1 A 37 37 THR HA H 37 4.281 5.080 -0.799 1 1 346 . 19 1 1 A 37 37 THR C C 37 175.110 174.473 0.637 1 1 347 . 19 1 1 A 37 37 THR CA C 37 62.260 60.168 2.092 1 1 348 . 19 1 1 A 37 37 THR CB C 37 70.150 70.909 -0.759 1 1 349 . 19 1 1 A 37 37 THR N N 37 115.300 116.949 -1.649 1 1 350 . 19 1 1 A 38 38 GLY H H 38 8.511 8.985 -0.474 1 1 351 . 19 1 1 A 38 38 GLY HA2 H 38 3.975 3.964 0.011 1 1 352 . 19 1 1 A 38 38 GLY HA3 H 38 3.809 3.979 -0.170 1 1 353 . 19 1 1 A 38 38 GLY C C 38 174.470 175.449 -0.979 1 1 354 . 19 1 1 A 38 38 GLY CA C 38 45.470 45.521 -0.051 1 1 355 . 19 1 1 A 38 38 GLY N N 38 110.440 110.484 -0.044 1 1 356 . 19 1 1 A 39 39 ALA H H 39 8.245 8.298 -0.053 1 1 357 . 19 1 1 A 39 39 ALA HA H 39 4.164 3.992 0.172 1 1 361 . 19 1 1 A 39 39 ALA C C 39 177.590 179.567 -1.977 1 1 362 . 19 1 1 A 39 39 ALA CA C 39 52.560 54.535 -1.975 1 1 363 . 19 1 1 A 39 39 ALA CB C 39 19.360 18.187 1.173 1 1 364 . 19 1 1 A 39 39 ALA N N 39 124.080 124.406 -0.326 1 1 365 . 19 1 1 A 40 40 GLU H H 40 8.721 8.198 0.523 1 1 366 . 19 1 1 A 40 40 GLU HA H 40 4.083 4.180 -0.097 1 1 371 . 19 1 1 A 40 40 GLU C C 40 176.320 177.983 -1.663 1 1 372 . 19 1 1 A 40 40 GLU CA C 40 57.910 59.084 -1.174 1 1 373 . 19 1 1 A 40 40 GLU CB C 40 29.520 29.190 0.330 1 1 374 . 19 1 1 A 40 40 GLU N N 40 118.270 118.830 -0.560 1 1 375 . 19 1 1 A 41 41 ASN H H 41 8.226 7.816 0.410 1 1 376 . 19 1 1 A 41 41 ASN HA H 41 4.716 4.854 -0.138 1 1 381 . 19 1 1 A 41 41 ASN C C 41 174.800 175.027 -0.227 1 1 382 . 19 1 1 A 41 41 ASN CA C 41 52.880 53.846 -0.966 1 1 383 . 19 1 1 A 41 41 ASN CB C 41 38.840 39.089 -0.249 1 1 384 . 19 1 1 A 41 41 ASN N N 41 117.620 116.163 1.457 1 1 386 . 19 1 1 A 42 42 LEU H H 42 7.629 7.853 -0.224 1 1 387 . 19 1 1 A 42 42 LEU HA H 42 4.418 4.147 0.271 1 1 397 . 19 1 1 A 42 42 LEU C C 42 174.610 176.831 -2.221 1 1 398 . 19 1 1 A 42 42 LEU CA C 42 53.170 55.355 -2.185 1 1 399 . 19 1 1 A 42 42 LEU N N 42 123.010 118.542 4.468 1 1 400 . 19 1 1 A 43 43 PRO HA H 43 4.366 4.374 -0.008 1 1 407 . 19 1 1 A 43 43 PRO C C 43 177.050 177.031 0.019 1 1 408 . 19 1 1 A 43 43 PRO CA C 43 62.260 66.236 -3.976 1 1 409 . 19 1 1 A 43 43 PRO CB C 43 32.380 31.226 1.154 1 1 410 . 19 1 1 A 44 44 ALA H H 44 8.552 7.823 0.729 1 1 411 . 19 1 1 A 44 44 ALA HA H 44 4.223 4.494 -0.271 1 1 415 . 19 1 1 A 44 44 ALA C C 44 179.500 178.283 1.217 1 1 416 . 19 1 1 A 44 44 ALA CA C 44 53.250 51.676 1.574 1 1 417 . 19 1 1 A 44 44 ALA CB C 44 18.190 20.404 -2.214 1 1 418 . 19 1 1 A 44 44 ALA N N 44 125.070 117.480 7.590 1 1 419 . 19 1 1 A 45 45 GLY H H 45 8.897 8.846 0.051 1 1 420 . 19 1 1 A 45 45 GLY HA2 H 45 4.214 3.973 0.241 1 1 421 . 19 1 1 A 45 45 GLY HA3 H 45 3.833 4.017 -0.184 1 1 422 . 19 1 1 A 45 45 GLY C C 45 173.720 173.471 0.249 1 1 423 . 19 1 1 A 45 45 GLY CA C 45 45.790 45.449 0.341 1 1 424 . 19 1 1 A 45 45 GLY N N 45 110.600 109.899 0.701 1 1 425 . 19 1 1 A 46 46 SER H H 46 7.690 8.007 -0.317 1 1 426 . 19 1 1 A 46 46 SER HA H 46 5.338 5.135 0.203 1 1 429 . 19 1 1 A 46 46 SER C C 46 172.990 172.757 0.233 1 1 430 . 19 1 1 A 46 46 SER CA C 46 57.810 57.767 0.043 1 1 431 . 19 1 1 A 46 46 SER CB C 46 66.960 66.715 0.245 1 1 432 . 19 1 1 A 46 46 SER N N 46 114.180 115.998 -1.818 1 1 433 . 19 1 1 A 47 47 ALA H H 47 8.435 8.724 -0.289 1 1 434 . 19 1 1 A 47 47 ALA HA H 47 4.338 4.829 -0.491 1 1 438 . 19 1 1 A 47 47 ALA C C 47 173.840 175.888 -2.048 1 1 439 . 19 1 1 A 47 47 ALA CA C 47 51.690 51.422 0.268 1 1 440 . 19 1 1 A 47 47 ALA CB C 47 24.570 23.324 1.246 1 1 441 . 19 1 1 A 47 47 ALA N N 47 120.900 123.487 -2.587 1 1 442 . 19 1 1 A 48 48 LEU H H 48 8.673 8.714 -0.041 1 1 443 . 19 1 1 A 48 48 LEU HA H 48 5.021 5.503 -0.482 1 1 453 . 19 1 1 A 48 48 LEU C C 48 174.680 175.486 -0.806 1 1 454 . 19 1 1 A 48 48 LEU CA C 48 53.350 52.517 0.833 1 1 455 . 19 1 1 A 48 48 LEU CB C 48 48.150 45.995 2.155 1 1 456 . 19 1 1 A 48 48 LEU N N 48 120.170 115.907 4.263 1 1 457 . 19 1 1 A 49 49 LEU H H 49 8.686 9.116 -0.430 1 1 458 . 19 1 1 A 49 49 LEU HA H 49 5.403 5.518 -0.115 1 1 468 . 19 1 1 A 49 49 LEU C C 49 176.170 175.262 0.908 1 1 469 . 19 1 1 A 49 49 LEU CA C 49 52.810 52.992 -0.182 1 1 470 . 19 1 1 A 49 49 LEU CB C 49 46.310 44.667 1.643 1 1 471 . 19 1 1 A 49 49 LEU N N 49 120.170 118.645 1.525 1 1 472 . 19 1 1 A 50 50 VAL H H 50 8.874 9.385 -0.511 1 1 473 . 19 1 1 A 50 50 VAL HA H 50 4.971 5.354 -0.383 1 1 481 . 19 1 1 A 50 50 VAL C C 50 176.740 174.468 2.272 1 1 482 . 19 1 1 A 50 50 VAL CA C 50 59.940 59.937 0.003 1 1 483 . 19 1 1 A 50 50 VAL CB C 50 34.970 35.303 -0.333 1 1 484 . 19 1 1 A 50 50 VAL N N 50 120.580 120.591 -0.011 1 1 485 . 19 1 1 A 51 51 VAL H H 51 8.984 9.204 -0.220 1 1 486 . 19 1 1 A 51 51 VAL HA H 51 4.155 3.989 0.166 1 1 494 . 19 1 1 A 51 51 VAL C C 51 176.050 175.922 0.128 1 1 495 . 19 1 1 A 51 51 VAL CA C 51 64.280 63.582 0.698 1 1 496 . 19 1 1 A 51 51 VAL CB C 51 31.280 31.183 0.097 1 1 497 . 19 1 1 A 51 51 VAL N N 51 125.710 128.805 -3.095 1 1 498 . 19 1 1 A 52 52 LYS H H 52 9.444 9.065 0.379 1 1 499 . 19 1 1 A 52 52 LYS HA H 52 4.450 4.285 0.165 1 1 506 . 19 1 1 A 52 52 LYS C C 52 176.150 175.872 0.278 1 1 507 . 19 1 1 A 52 52 LYS CA C 52 57.050 57.726 -0.676 1 1 508 . 19 1 1 A 52 52 LYS CB C 52 34.470 33.740 0.730 1 1 509 . 19 1 1 A 52 52 LYS N N 52 132.750 130.023 2.727 1 1 510 . 19 1 1 A 53 53 ARG H H 53 8.051 7.742 0.309 1 1 511 . 19 1 1 A 53 53 ARG HA H 53 4.685 4.931 -0.246 1 1 516 . 19 1 1 A 53 53 ARG C C 53 173.470 174.794 -1.324 1 1 517 . 19 1 1 A 53 53 ARG CA C 53 55.090 55.267 -0.177 1 1 518 . 19 1 1 A 53 53 ARG CB C 53 34.300 34.144 0.156 1 1 519 . 19 1 1 A 53 53 ARG N N 53 117.320 118.765 -1.445 1 1 520 . 19 1 1 A 54 54 GLY H H 54 8.377 8.385 -0.008 1 1 521 . 19 1 1 A 54 54 GLY HA2 H 54 4.215 4.154 0.061 1 1 522 . 19 1 1 A 54 54 GLY HA3 H 54 3.503 4.168 -0.665 1 1 523 . 19 1 1 A 54 54 GLY C C 54 171.870 173.905 -2.035 1 1 524 . 19 1 1 A 54 54 GLY CA C 54 43.770 44.697 -0.927 1 1 525 . 19 1 1 A 54 54 GLY N N 54 110.960 112.650 -1.690 1 1 526 . 19 1 1 A 55 55 PRO HA H 55 4.255 4.349 -0.094 1 1 531 . 19 1 1 A 55 55 PRO C C 55 175.940 177.453 -1.513 1 1 532 . 19 1 1 A 55 55 PRO CA C 55 64.390 64.472 -0.082 1 1 533 . 19 1 1 A 55 55 PRO CB C 55 31.360 31.916 -0.556 1 1 534 . 19 1 1 A 56 56 ASN H H 56 8.202 8.437 -0.235 1 1 535 . 19 1 1 A 56 56 ASN HA H 56 4.685 4.874 -0.189 1 1 540 . 19 1 1 A 56 56 ASN C C 56 174.410 175.491 -1.081 1 1 541 . 19 1 1 A 56 56 ASN CA C 56 52.120 52.492 -0.372 1 1 542 . 19 1 1 A 56 56 ASN CB C 56 37.070 37.810 -0.740 1 1 543 . 19 1 1 A 56 56 ASN N N 56 114.760 114.276 0.484 1 1 545 . 19 1 1 A 57 57 ALA H H 57 7.283 7.370 -0.087 1 1 546 . 19 1 1 A 57 57 ALA HA H 57 3.618 4.145 -0.527 1 1 550 . 19 1 1 A 57 57 ALA C C 57 178.090 178.442 -0.352 1 1 551 . 19 1 1 A 57 57 ALA CA C 57 54.480 53.702 0.778 1 1 552 . 19 1 1 A 57 57 ALA CB C 57 17.760 18.851 -1.091 1 1 553 . 19 1 1 A 57 57 ALA N N 57 120.380 124.238 -3.858 1 1 554 . 19 1 1 A 58 58 GLY H H 58 9.052 9.131 -0.079 1 1 555 . 19 1 1 A 58 58 GLY HA2 H 58 4.449 3.986 0.463 1 1 556 . 19 1 1 A 58 58 GLY HA3 H 58 3.415 3.987 -0.572 1 1 557 . 19 1 1 A 58 58 GLY C C 58 174.610 174.366 0.244 1 1 558 . 19 1 1 A 58 58 GLY CA C 58 44.530 44.947 -0.417 1 1 559 . 19 1 1 A 58 58 GLY N N 58 112.180 110.388 1.792 1 1 560 . 19 1 1 A 59 59 ALA H H 59 8.171 7.636 0.535 1 1 561 . 19 1 1 A 59 59 ALA HA H 59 4.081 4.256 -0.175 1 1 565 . 19 1 1 A 59 59 ALA C C 59 175.220 177.094 -1.874 1 1 566 . 19 1 1 A 59 59 ALA CA C 59 53.170 52.001 1.169 1 1 567 . 19 1 1 A 59 59 ALA CB C 59 19.360 19.512 -0.152 1 1 568 . 19 1 1 A 59 59 ALA N N 59 124.650 123.711 0.939 1 1 569 . 19 1 1 A 60 60 ARG H H 60 7.751 8.742 -0.991 1 1 570 . 19 1 1 A 60 60 ARG HA H 60 5.105 5.332 -0.227 1 1 575 . 19 1 1 A 60 60 ARG C C 60 175.320 174.685 0.635 1 1 576 . 19 1 1 A 60 60 ARG CA C 60 54.150 54.416 -0.266 1 1 577 . 19 1 1 A 60 60 ARG CB C 60 34.130 33.327 0.803 1 1 578 . 19 1 1 A 60 60 ARG N N 60 116.920 120.389 -3.469 1 1 579 . 19 1 1 A 61 61 PHE H H 61 9.213 9.457 -0.244 1 1 580 . 19 1 1 A 61 61 PHE HA H 61 4.788 5.028 -0.240 1 1 587 . 19 1 1 A 61 61 PHE C C 61 173.930 174.406 -0.476 1 1 588 . 19 1 1 A 61 61 PHE CA C 61 56.500 56.734 -0.234 1 1 589 . 19 1 1 A 61 61 PHE CB C 61 41.860 41.204 0.656 1 1 590 . 19 1 1 A 61 61 PHE N N 61 121.090 120.564 0.526 1 1 591 . 19 1 1 A 62 62 LEU H H 62 8.638 8.857 -0.219 1 1 592 . 19 1 1 A 62 62 LEU HA H 62 4.566 4.786 -0.220 1 1 602 . 19 1 1 A 62 62 LEU C C 62 176.570 175.043 1.527 1 1 603 . 19 1 1 A 62 62 LEU CA C 62 55.130 54.566 0.564 1 1 604 . 19 1 1 A 62 62 LEU CB C 62 43.620 43.191 0.429 1 1 605 . 19 1 1 A 62 62 LEU N N 62 125.630 126.743 -1.113 1 1 606 . 19 1 1 A 63 63 LEU H H 63 8.929 9.478 -0.549 1 1 607 . 19 1 1 A 63 63 LEU HA H 63 4.852 4.739 0.113 1 1 617 . 19 1 1 A 63 63 LEU C C 63 175.070 176.417 -1.347 1 1 618 . 19 1 1 A 63 63 LEU CA C 63 53.170 54.716 -1.546 1 1 619 . 19 1 1 A 63 63 LEU CB C 63 42.110 42.153 -0.043 1 1 620 . 19 1 1 A 63 63 LEU N N 63 125.980 127.946 -1.966 1 1 621 . 19 1 1 A 64 64 ASP H H 64 8.601 8.990 -0.389 1 1 622 . 19 1 1 A 64 64 ASP HA H 64 4.736 4.952 -0.216 1 1 625 . 19 1 1 A 64 64 ASP C C 64 175.130 175.314 -0.184 1 1 626 . 19 1 1 A 64 64 ASP CA C 64 53.640 53.654 -0.014 1 1 627 . 19 1 1 A 64 64 ASP CB C 64 41.020 43.198 -2.178 1 1 628 . 19 1 1 A 64 64 ASP N N 64 120.910 125.640 -4.730 1 1 629 . 19 1 1 A 65 65 GLN H H 65 7.497 7.485 0.012 1 1 630 . 19 1 1 A 65 65 GLN HA H 65 4.856 4.766 0.090 1 1 637 . 19 1 1 A 65 65 GLN C C 65 173.550 175.477 -1.927 1 1 638 . 19 1 1 A 65 65 GLN CA C 65 52.780 53.476 -0.696 1 1 639 . 19 1 1 A 65 65 GLN N N 65 117.420 116.998 0.422 1 1 641 . 19 1 1 A 66 66 PRO HA H 66 4.190 5.149 -0.959 1 1 648 . 19 1 1 A 66 66 PRO C C 66 177.400 176.622 0.778 1 1 649 . 19 1 1 A 66 66 PRO CA C 66 66.810 64.420 2.390 1 1 650 . 19 1 1 A 66 66 PRO CB C 66 32.370 32.101 0.269 1 1 651 . 19 1 1 A 67 67 THR H H 67 7.647 7.520 0.127 1 1 652 . 19 1 1 A 67 67 THR HA H 67 4.811 5.435 -0.624 1 1 657 . 19 1 1 A 67 67 THR C C 67 173.280 173.288 -0.008 1 1 658 . 19 1 1 A 67 67 THR CA C 67 62.830 61.226 1.604 1 1 659 . 19 1 1 A 67 67 THR CB C 67 71.740 71.655 0.085 1 1 660 . 19 1 1 A 67 67 THR N N 67 109.270 112.532 -3.262 1 1 661 . 19 1 1 A 68 68 THR H H 68 8.919 9.609 -0.690 1 1 662 . 19 1 1 A 68 68 THR HA H 68 4.968 5.112 -0.144 1 1 667 . 19 1 1 A 68 68 THR C C 68 175.090 173.518 1.572 1 1 668 . 19 1 1 A 68 68 THR CA C 68 61.820 62.029 -0.209 1 1 669 . 19 1 1 A 68 68 THR CB C 68 70.730 70.550 0.180 1 1 670 . 19 1 1 A 68 68 THR N N 68 125.610 123.742 1.868 1 1 671 . 19 1 1 A 69 69 THR H H 69 10.398 8.916 1.482 1 1 672 . 19 1 1 A 69 69 THR HA H 69 4.491 4.808 -0.317 1 1 677 . 19 1 1 A 69 69 THR C C 69 173.140 174.048 -0.908 1 1 678 . 19 1 1 A 69 69 THR CA C 69 61.790 61.890 -0.100 1 1 679 . 19 1 1 A 69 69 THR CB C 69 70.820 70.291 0.529 1 1 680 . 19 1 1 A 69 69 THR N N 69 121.520 123.064 -1.544 1 1 681 . 19 1 1 A 70 70 ALA H H 70 8.722 9.044 -0.322 1 1 682 . 19 1 1 A 70 70 ALA HA H 70 5.696 5.410 0.286 1 1 686 . 19 1 1 A 70 70 ALA C C 70 175.840 176.021 -0.181 1 1 687 . 19 1 1 A 70 70 ALA CA C 70 50.030 50.413 -0.383 1 1 688 . 19 1 1 A 70 70 ALA CB C 70 22.300 22.497 -0.197 1 1 689 . 19 1 1 A 70 70 ALA N N 70 122.410 128.001 -5.591 1 1 690 . 19 1 1 A 71 71 GLY H H 71 8.430 7.837 0.593 1 1 691 . 19 1 1 A 71 71 GLY HA2 H 71 4.474 4.198 0.276 1 1 692 . 19 1 1 A 71 71 GLY HA3 H 71 3.903 4.251 -0.348 1 1 693 . 19 1 1 A 71 71 GLY C C 71 170.540 172.255 -1.715 1 1 694 . 19 1 1 A 71 71 GLY CA C 71 46.300 45.078 1.222 1 1 695 . 19 1 1 A 71 71 GLY N N 71 108.960 107.969 0.991 1 1 696 . 19 1 1 A 72 72 ARG H H 72 8.341 8.722 -0.381 1 1 697 . 19 1 1 A 72 72 ARG HA H 72 4.481 5.167 -0.686 1 1 702 . 19 1 1 A 72 72 ARG C C 72 175.720 174.622 1.098 1 1 703 . 19 1 1 A 72 72 ARG CA C 72 54.800 54.529 0.271 1 1 704 . 19 1 1 A 72 72 ARG CB C 72 32.540 32.535 0.005 1 1 705 . 19 1 1 A 72 72 ARG N N 72 120.930 117.605 3.325 1 1 706 . 19 1 1 A 73 73 HIS H H 73 9.295 8.651 0.644 1 1 707 . 19 1 1 A 73 73 HIS HA H 73 4.403 4.995 -0.592 1 1 712 . 19 1 1 A 73 73 HIS C C 73 176.860 174.674 2.186 1 1 713 . 19 1 1 A 73 73 HIS CA C 73 57.050 53.963 3.087 1 1 714 . 19 1 1 A 73 73 HIS N N 73 125.290 117.213 8.077 1 1 715 . 19 1 1 A 74 74 PRO HA H 74 4.373 4.274 0.099 1 1 722 . 19 1 1 A 74 74 PRO C C 74 177.590 177.400 0.190 1 1 723 . 19 1 1 A 74 74 PRO CA C 74 64.930 65.649 -0.719 1 1 724 . 19 1 1 A 74 74 PRO CB C 74 32.030 31.735 0.295 1 1 725 . 19 1 1 A 75 75 GLU H H 75 10.575 8.625 1.950 1 1 726 . 19 1 1 A 75 75 GLU HA H 75 4.352 4.289 0.063 1 1 731 . 19 1 1 A 75 75 GLU C C 75 177.320 176.400 0.920 1 1 732 . 19 1 1 A 75 75 GLU CA C 75 56.070 56.120 -0.050 1 1 733 . 19 1 1 A 75 75 GLU CB C 75 29.010 28.866 0.144 1 1 734 . 19 1 1 A 75 75 GLU N N 75 119.840 115.670 4.170 1 1 735 . 19 1 1 A 76 76 SER H H 76 8.236 7.133 1.103 1 1 736 . 19 1 1 A 76 76 SER HA H 76 4.100 4.061 0.039 1 1 739 . 19 1 1 A 76 76 SER C C 76 173.120 174.240 -1.120 1 1 740 . 19 1 1 A 76 76 SER CA C 76 60.160 58.699 1.461 1 1 741 . 19 1 1 A 76 76 SER CB C 76 65.530 63.059 2.471 1 1 742 . 19 1 1 A 76 76 SER N N 76 118.860 115.675 3.185 1 1 743 . 19 1 1 A 77 77 ASP H H 77 8.541 8.600 -0.059 1 1 744 . 19 1 1 A 77 77 ASP HA H 77 4.344 4.488 -0.144 1 1 747 . 19 1 1 A 77 77 ASP C C 77 177.590 175.676 1.914 1 1 748 . 19 1 1 A 77 77 ASP CA C 77 58.380 56.369 2.011 1 1 749 . 19 1 1 A 77 77 ASP CB C 77 42.110 41.539 0.571 1 1 750 . 19 1 1 A 77 77 ASP N N 77 126.720 124.854 1.866 1 1 751 . 19 1 1 A 78 78 ILE H H 78 8.571 7.873 0.698 1 1 752 . 19 1 1 A 78 78 ILE HA H 78 3.563 3.491 0.072 1 1 762 . 19 1 1 A 78 78 ILE C C 78 172.930 175.074 -2.144 1 1 763 . 19 1 1 A 78 78 ILE CA C 78 60.880 60.173 0.707 1 1 764 . 19 1 1 A 78 78 ILE CB C 78 37.410 38.498 -1.088 1 1 765 . 19 1 1 A 78 78 ILE N N 78 120.210 118.750 1.460 1 1 766 . 19 1 1 A 79 79 PHE H H 79 8.018 8.703 -0.685 1 1 767 . 19 1 1 A 79 79 PHE HA H 79 5.018 4.788 0.230 1 1 775 . 19 1 1 A 79 79 PHE C C 79 174.130 174.083 0.047 1 1 776 . 19 1 1 A 79 79 PHE CA C 79 55.780 56.778 -0.998 1 1 777 . 19 1 1 A 79 79 PHE CB C 79 39.170 40.399 -1.229 1 1 778 . 19 1 1 A 79 79 PHE N N 79 127.300 128.787 -1.487 1 1 779 . 19 1 1 A 80 80 LEU H H 80 7.695 8.634 -0.939 1 1 780 . 19 1 1 A 80 80 LEU HA H 80 3.619 5.057 -1.438 1 1 790 . 19 1 1 A 80 80 LEU C C 80 173.720 174.592 -0.872 1 1 791 . 19 1 1 A 80 80 LEU CA C 80 52.340 53.169 -0.829 1 1 792 . 19 1 1 A 80 80 LEU CB C 80 41.770 45.650 -3.880 1 1 793 . 19 1 1 A 80 80 LEU N N 80 131.810 128.272 3.538 1 1 794 . 19 1 1 A 81 81 ASP H H 81 7.974 8.611 -0.637 1 1 795 . 19 1 1 A 81 81 ASP HA H 81 4.141 5.245 -1.104 1 1 798 . 19 1 1 A 81 81 ASP C C 81 175.130 173.797 1.333 1 1 799 . 19 1 1 A 81 81 ASP CA C 81 53.210 52.682 0.528 1 1 800 . 19 1 1 A 81 81 ASP CB C 81 39.930 44.503 -4.573 1 1 801 . 19 1 1 A 81 81 ASP N N 81 121.130 123.673 -2.543 1 1 802 . 19 1 1 A 82 82 ASP H H 82 7.583 8.345 -0.762 1 1 803 . 19 1 1 A 82 82 ASP HA H 82 4.859 4.806 0.053 1 1 806 . 19 1 1 A 82 82 ASP C C 82 176.760 175.060 1.700 1 1 807 . 19 1 1 A 82 82 ASP CA C 82 54.980 52.861 2.119 1 1 808 . 19 1 1 A 82 82 ASP CB C 82 39.170 44.217 -5.047 1 1 809 . 19 1 1 A 82 82 ASP N N 82 121.540 123.137 -1.597 1 1 810 . 19 1 1 A 83 83 VAL H H 83 8.344 8.371 -0.027 1 1 811 . 19 1 1 A 83 83 VAL HA H 83 4.012 3.904 0.108 1 1 819 . 19 1 1 A 83 83 VAL C C 83 174.860 176.271 -1.411 1 1 820 . 19 1 1 A 83 83 VAL CA C 83 65.330 65.083 0.247 1 1 821 . 19 1 1 A 83 83 VAL CB C 83 31.530 32.155 -0.625 1 1 822 . 19 1 1 A 83 83 VAL N N 83 122.260 120.622 1.638 1 1 823 . 19 1 1 A 84 84 THR H H 84 8.268 7.700 0.568 1 1 824 . 19 1 1 A 84 84 THR HA H 84 4.540 4.801 -0.261 1 1 828 . 19 1 1 A 84 84 THR C C 84 175.360 172.800 2.560 1 1 829 . 19 1 1 A 84 84 THR CA C 84 63.810 61.507 2.303 1 1 830 . 19 1 1 A 84 84 THR CB C 84 70.900 70.720 0.180 1 1 831 . 19 1 1 A 84 84 THR N N 84 110.620 114.294 -3.674 1 1 832 . 19 1 1 A 85 85 VAL H H 85 8.579 8.974 -0.395 1 1 833 . 19 1 1 A 85 85 VAL HA H 85 4.254 4.387 -0.133 1 1 841 . 19 1 1 A 85 85 VAL C C 85 177.070 175.433 1.637 1 1 842 . 19 1 1 A 85 85 VAL CA C 85 61.930 60.975 0.955 1 1 843 . 19 1 1 A 85 85 VAL CB C 85 32.450 33.688 -1.238 1 1 844 . 19 1 1 A 85 85 VAL N N 85 126.860 128.070 -1.210 1 1 845 . 19 1 1 A 86 86 SER H H 86 11.668 8.801 2.867 1 1 846 . 19 1 1 A 86 86 SER HA H 86 5.203 4.578 0.625 1 1 849 . 19 1 1 A 86 86 SER C C 86 175.470 175.572 -0.102 1 1 850 . 19 1 1 A 86 86 SER CA C 86 61.600 58.534 3.066 1 1 851 . 19 1 1 A 86 86 SER CB C 86 64.270 63.512 0.758 1 1 852 . 19 1 1 A 86 86 SER N N 86 128.670 122.217 6.453 1 1 853 . 19 1 1 A 87 87 ARG H H 87 10.946 8.716 2.230 1 1 854 . 19 1 1 A 87 87 ARG HA H 87 5.179 4.686 0.493 1 1 862 . 19 1 1 A 87 87 ARG C C 87 177.110 176.181 0.929 1 1 863 . 19 1 1 A 87 87 ARG CA C 87 60.810 59.054 1.756 1 1 864 . 19 1 1 A 87 87 ARG CB C 87 29.010 29.823 -0.813 1 1 865 . 19 1 1 A 87 87 ARG N N 87 126.810 123.623 3.187 1 1 867 . 19 1 1 A 88 88 ARG H H 88 7.946 7.755 0.191 1 1 868 . 19 1 1 A 88 88 ARG HA H 88 4.459 4.551 -0.092 1 1 876 . 19 1 1 A 88 88 ARG C C 88 172.990 175.542 -2.552 1 1 877 . 19 1 1 A 88 88 ARG CA C 88 55.060 54.368 0.692 1 1 878 . 19 1 1 A 88 88 ARG CB C 88 29.770 31.925 -2.155 1 1 879 . 19 1 1 A 88 88 ARG N N 88 115.670 118.766 -3.096 1 1 881 . 19 1 1 A 89 89 HIS H H 89 7.613 8.856 -1.243 1 1 882 . 19 1 1 A 89 89 HIS HA H 89 4.437 4.816 -0.379 1 1 888 . 19 1 1 A 89 89 HIS C C 89 174.050 174.969 -0.919 1 1 889 . 19 1 1 A 89 89 HIS CA C 89 58.420 58.001 0.419 1 1 890 . 19 1 1 A 89 89 HIS CB C 89 32.620 31.792 0.828 1 1 891 . 19 1 1 A 89 89 HIS N N 89 124.000 125.047 -1.047 1 1 893 . 19 1 1 A 90 90 ALA H H 90 8.454 7.256 1.198 1 1 894 . 19 1 1 A 90 90 ALA HA H 90 5.529 4.503 1.026 1 1 898 . 19 1 1 A 90 90 ALA C C 90 176.260 174.779 1.481 1 1 899 . 19 1 1 A 90 90 ALA CA C 90 50.240 51.318 -1.078 1 1 900 . 19 1 1 A 90 90 ALA CB C 90 23.220 22.877 0.343 1 1 901 . 19 1 1 A 90 90 ALA N N 90 116.480 118.171 -1.691 1 1 902 . 19 1 1 A 91 91 GLU H H 91 9.216 8.986 0.230 1 1 903 . 19 1 1 A 91 91 GLU HA H 91 4.931 4.900 0.031 1 1 908 . 19 1 1 A 91 91 GLU C C 91 173.910 174.166 -0.256 1 1 909 . 19 1 1 A 91 91 GLU CA C 91 54.690 54.245 0.445 1 1 910 . 19 1 1 A 91 91 GLU CB C 91 34.720 33.497 1.223 1 1 911 . 19 1 1 A 91 91 GLU N N 91 118.140 116.798 1.342 1 1 912 . 19 1 1 A 92 92 PHE H H 92 9.330 9.270 0.060 1 1 913 . 19 1 1 A 92 92 PHE HA H 92 5.502 5.209 0.293 1 1 921 . 19 1 1 A 92 92 PHE C C 92 176.650 175.122 1.528 1 1 922 . 19 1 1 A 92 92 PHE CA C 92 56.760 56.782 -0.022 1 1 923 . 19 1 1 A 92 92 PHE CB C 92 41.690 41.099 0.591 1 1 924 . 19 1 1 A 92 92 PHE N N 92 119.490 120.830 -1.340 1 1 925 . 19 1 1 A 93 93 ARG H H 93 9.846 9.361 0.485 1 1 926 . 19 1 1 A 93 93 ARG HA H 93 5.610 5.436 0.174 1 1 934 . 19 1 1 A 93 93 ARG C C 93 175.010 175.330 -0.320 1 1 935 . 19 1 1 A 93 93 ARG CA C 93 54.580 54.964 -0.384 1 1 936 . 19 1 1 A 93 93 ARG CB C 93 34.220 32.333 1.887 1 1 937 . 19 1 1 A 93 93 ARG N N 93 127.300 121.788 5.512 1 1 939 . 19 1 1 A 94 94 ILE H H 94 8.521 9.142 -0.621 1 1 940 . 19 1 1 A 94 94 ILE HA H 94 4.410 5.173 -0.763 1 1 950 . 19 1 1 A 94 94 ILE C C 94 176.420 174.855 1.565 1 1 951 . 19 1 1 A 94 94 ILE CA C 94 61.130 60.453 0.677 1 1 952 . 19 1 1 A 94 94 ILE CB C 94 38.830 39.849 -1.019 1 1 953 . 19 1 1 A 94 94 ILE N N 94 121.680 124.945 -3.265 1 1 954 . 19 1 1 A 95 95 ASN H H 95 8.847 8.834 0.013 1 1 955 . 19 1 1 A 95 95 ASN HA H 95 4.796 5.036 -0.240 1 1 960 . 19 1 1 A 95 95 ASN C C 95 174.430 174.855 -0.425 1 1 961 . 19 1 1 A 95 95 ASN CA C 95 52.560 51.913 0.647 1 1 962 . 19 1 1 A 95 95 ASN CB C 95 40.510 41.137 -0.627 1 1 963 . 19 1 1 A 95 95 ASN N N 95 127.100 124.715 2.385 1 1 965 . 19 1 1 A 96 96 GLU H H 96 9.303 9.412 -0.109 1 1 966 . 19 1 1 A 96 96 GLU HA H 96 3.768 3.994 -0.226 1 1 971 . 19 1 1 A 96 96 GLU C C 96 176.280 176.415 -0.135 1 1 972 . 19 1 1 A 96 96 GLU CA C 96 57.150 57.593 -0.443 1 1 973 . 19 1 1 A 96 96 GLU CB C 96 27.590 28.120 -0.530 1 1 974 . 19 1 1 A 96 96 GLU N N 96 125.150 124.950 0.200 1 1 975 . 19 1 1 A 97 97 GLY H H 97 7.937 8.366 -0.429 1 1 976 . 19 1 1 A 97 97 GLY HA2 H 97 4.042 3.649 0.393 1 1 977 . 19 1 1 A 97 97 GLY HA3 H 97 3.450 3.763 -0.313 1 1 978 . 19 1 1 A 97 97 GLY C C 97 172.990 173.495 -0.505 1 1 979 . 19 1 1 A 97 97 GLY CA C 97 45.390 45.176 0.214 1 1 980 . 19 1 1 A 97 97 GLY N N 97 104.330 104.335 -0.005 1 1 981 . 19 1 1 A 98 98 GLU H H 98 7.557 7.948 -0.391 1 1 982 . 19 1 1 A 98 98 GLU HA H 98 4.591 4.600 -0.009 1 1 987 . 19 1 1 A 98 98 GLU C C 98 174.530 175.373 -0.843 1 1 988 . 19 1 1 A 98 98 GLU CA C 98 54.770 55.276 -0.506 1 1 989 . 19 1 1 A 98 98 GLU CB C 98 32.290 31.505 0.785 1 1 990 . 19 1 1 A 98 98 GLU N N 98 119.350 119.884 -0.534 1 1 991 . 19 1 1 A 99 99 PHE H H 99 9.412 9.081 0.331 1 1 992 . 19 1 1 A 99 99 PHE HA H 99 5.007 5.291 -0.284 1 1 999 . 19 1 1 A 99 99 PHE C C 99 174.050 175.215 -1.165 1 1 1000 . 19 1 1 A 99 99 PHE CA C 99 57.260 56.725 0.535 1 1 1001 . 19 1 1 A 99 99 PHE CB C 99 42.110 41.486 0.624 1 1 1002 . 19 1 1 A 99 99 PHE N N 99 122.550 121.627 0.923 1 1 1003 . 19 1 1 A 100 100 GLU H H 100 9.444 9.316 0.128 1 1 1004 . 19 1 1 A 100 100 GLU HA H 100 5.145 5.262 -0.117 1 1 1009 . 19 1 1 A 100 100 GLU C C 100 175.340 175.149 0.191 1 1 1010 . 19 1 1 A 100 100 GLU CA C 100 54.080 54.904 -0.824 1 1 1011 . 19 1 1 A 100 100 GLU CB C 100 34.720 33.572 1.148 1 1 1012 . 19 1 1 A 100 100 GLU N N 100 124.080 122.927 1.153 1 1 1013 . 19 1 1 A 101 101 VAL H H 101 8.726 9.229 -0.503 1 1 1014 . 19 1 1 A 101 101 VAL HA H 101 4.900 4.679 0.221 1 1 1022 . 19 1 1 A 101 101 VAL C C 101 172.510 175.228 -2.718 1 1 1023 . 19 1 1 A 101 101 VAL CA C 101 58.710 61.303 -2.593 1 1 1024 . 19 1 1 A 101 101 VAL CB C 101 33.550 33.269 0.281 1 1 1025 . 19 1 1 A 101 101 VAL N N 101 124.500 123.074 1.426 1 1 1026 . 19 1 1 A 102 102 VAL H H 102 8.719 9.099 -0.380 1 1 1027 . 19 1 1 A 102 102 VAL HA H 102 4.578 4.996 -0.418 1 1 1035 . 19 1 1 A 102 102 VAL C C 102 175.380 173.948 1.432 1 1 1036 . 19 1 1 A 102 102 VAL CA C 102 60.370 59.363 1.007 1 1 1037 . 19 1 1 A 102 102 VAL CB C 102 36.060 34.714 1.346 1 1 1038 . 19 1 1 A 102 102 VAL N N 102 125.900 121.981 3.919 1 1 1039 . 19 1 1 A 103 103 ASP H H 103 8.626 9.602 -0.976 1 1 1040 . 19 1 1 A 103 103 ASP HA H 103 4.856 4.646 0.210 1 1 1043 . 19 1 1 A 103 103 ASP C C 103 177.300 176.643 0.657 1 1 1044 . 19 1 1 A 103 103 ASP CA C 103 54.580 54.438 0.142 1 1 1045 . 19 1 1 A 103 103 ASP CB C 103 44.210 41.911 2.299 1 1 1046 . 19 1 1 A 103 103 ASP N N 103 127.250 126.247 1.003 1 1 1047 . 19 1 1 A 104 104 VAL H H 104 7.890 8.896 -1.006 1 1 1048 . 19 1 1 A 104 104 VAL HA H 104 4.527 4.467 0.060 1 1 1056 . 19 1 1 A 104 104 VAL C C 104 174.490 175.495 -1.005 1 1 1057 . 19 1 1 A 104 104 VAL CA C 104 60.630 60.771 -0.141 1 1 1058 . 19 1 1 A 104 104 VAL CB C 104 29.350 33.193 -3.843 1 1 1059 . 19 1 1 A 104 104 VAL N N 104 119.270 120.364 -1.094 1 1 1060 . 19 1 1 A 105 105 GLY H H 105 8.690 7.161 1.529 1 1 1061 . 19 1 1 A 105 105 GLY HA2 H 105 4.270 3.941 0.329 1 1 1062 . 19 1 1 A 105 105 GLY HA3 H 105 3.685 3.944 -0.259 1 1 1063 . 19 1 1 A 105 105 GLY C C 105 175.490 172.971 2.519 1 1 1064 . 19 1 1 A 105 105 GLY CA C 105 45.650 45.558 0.092 1 1 1065 . 19 1 1 A 105 105 GLY N N 105 111.790 110.231 1.559 1 1 1066 . 19 1 1 A 106 106 SER H H 106 9.218 8.281 0.937 1 1 1067 . 19 1 1 A 106 106 SER HA H 106 3.894 3.961 -0.067 1 1 1070 . 19 1 1 A 106 106 SER C C 106 174.590 173.787 0.803 1 1 1071 . 19 1 1 A 106 106 SER CA C 106 58.600 58.247 0.353 1 1 1072 . 19 1 1 A 106 106 SER CB C 106 61.250 61.244 0.006 1 1 1073 . 19 1 1 A 106 106 SER N N 106 121.540 118.310 3.230 1 1 1074 . 19 1 1 A 107 107 LEU H H 107 8.018 8.156 -0.138 1 1 1075 . 19 1 1 A 107 107 LEU HA H 107 4.240 4.363 -0.123 1 1 1085 . 19 1 1 A 107 107 LEU C C 107 179.420 178.079 1.341 1 1 1086 . 19 1 1 A 107 107 LEU CA C 107 57.590 57.220 0.370 1 1 1087 . 19 1 1 A 107 107 LEU CB C 107 42.360 42.631 -0.271 1 1 1088 . 19 1 1 A 107 107 LEU N N 107 121.520 126.829 -5.309 1 1 1089 . 19 1 1 A 108 108 ASN H H 108 8.799 8.048 0.751 1 1 1090 . 19 1 1 A 108 108 ASN HA H 108 4.986 4.956 0.030 1 1 1093 . 19 1 1 A 108 108 ASN C C 108 175.950 175.849 0.101 1 1 1094 . 19 1 1 A 108 108 ASN CA C 108 54.440 53.459 0.981 1 1 1095 . 19 1 1 A 108 108 ASN CB C 108 41.180 39.319 1.861 1 1 1096 . 19 1 1 A 108 108 ASN N N 108 111.800 115.265 -3.465 1 1 1097 . 19 1 1 A 109 109 GLY H H 109 8.025 8.014 0.011 1 1 1098 . 19 1 1 A 109 109 GLY HA2 H 109 4.237 3.748 0.489 1 1 1099 . 19 1 1 A 109 109 GLY HA3 H 109 3.621 3.900 -0.279 1 1 1100 . 19 1 1 A 109 109 GLY C C 109 173.820 173.184 0.636 1 1 1101 . 19 1 1 A 109 109 GLY CA C 109 44.340 44.803 -0.463 1 1 1102 . 19 1 1 A 109 109 GLY N N 109 110.600 106.545 4.055 1 1 1103 . 19 1 1 A 110 110 THR H H 110 8.770 8.596 0.174 1 1 1104 . 19 1 1 A 110 110 THR HA H 110 4.797 4.784 0.013 1 1 1109 . 19 1 1 A 110 110 THR C C 110 172.570 173.823 -1.253 1 1 1110 . 19 1 1 A 110 110 THR CA C 110 64.540 63.126 1.414 1 1 1111 . 19 1 1 A 110 110 THR CB C 110 70.230 69.336 0.894 1 1 1112 . 19 1 1 A 110 110 THR N N 110 121.240 119.025 2.215 1 1 1113 . 19 1 1 A 111 111 TYR H H 111 8.272 9.357 -1.085 1 1 1114 . 19 1 1 A 111 111 TYR HA H 111 5.155 5.646 -0.491 1 1 1121 . 19 1 1 A 111 111 TYR C C 111 175.860 175.194 0.666 1 1 1122 . 19 1 1 A 111 111 TYR CA C 111 55.820 56.629 -0.809 1 1 1123 . 19 1 1 A 111 111 TYR CB C 111 41.100 41.494 -0.394 1 1 1124 . 19 1 1 A 111 111 TYR N N 111 123.680 125.120 -1.440 1 1 1125 . 19 1 1 A 112 112 VAL H H 112 9.017 9.086 -0.069 1 1 1126 . 19 1 1 A 112 112 VAL HA H 112 4.951 4.610 0.341 1 1 1134 . 19 1 1 A 112 112 VAL C C 112 176.780 176.314 0.466 1 1 1135 . 19 1 1 A 112 112 VAL CA C 112 61.130 61.080 0.050 1 1 1136 . 19 1 1 A 112 112 VAL CB C 112 32.870 34.474 -1.604 1 1 1137 . 19 1 1 A 112 112 VAL N N 112 121.300 123.530 -2.230 1 1 1138 . 19 1 1 A 113 113 ASN H H 113 10.285 9.270 1.015 1 1 1139 . 19 1 1 A 113 113 ASN HA H 113 4.483 4.334 0.149 1 1 1144 . 19 1 1 A 113 113 ASN C C 113 174.590 174.320 0.270 1 1 1145 . 19 1 1 A 113 113 ASN CA C 113 55.160 54.488 0.672 1 1 1146 . 19 1 1 A 113 113 ASN CB C 113 37.240 37.112 0.128 1 1 1147 . 19 1 1 A 113 113 ASN N N 113 129.510 127.703 1.807 1 1 1149 . 19 1 1 A 114 114 ARG H H 114 9.459 8.551 0.908 1 1 1150 . 19 1 1 A 114 114 ARG HA H 114 3.659 3.864 -0.205 1 1 1158 . 19 1 1 A 114 114 ARG C C 114 174.900 174.984 -0.084 1 1 1159 . 19 1 1 A 114 114 ARG CA C 114 58.280 57.737 0.543 1 1 1160 . 19 1 1 A 114 114 ARG CB C 114 27.250 27.699 -0.449 1 1 1161 . 19 1 1 A 114 114 ARG N N 114 106.570 110.798 -4.228 1 1 1163 . 19 1 1 A 115 115 GLU H H 115 7.827 8.081 -0.254 1 1 1164 . 19 1 1 A 115 115 GLU HA H 115 5.153 4.782 0.371 1 1 1169 . 19 1 1 A 115 115 GLU C C 115 173.950 174.418 -0.468 1 1 1170 . 19 1 1 A 115 115 GLU CA C 115 52.990 52.956 0.034 1 1 1171 . 19 1 1 A 115 115 GLU N N 115 119.780 118.662 1.118 1 1 1172 . 19 1 1 A 116 116 PRO HA H 116 3.983 4.459 -0.476 1 1 1177 . 19 1 1 A 116 116 PRO C C 116 177.780 175.316 2.464 1 1 1178 . 19 1 1 A 116 116 PRO CA C 116 62.910 63.154 -0.244 1 1 1179 . 19 1 1 A 116 116 PRO CB C 116 31.200 31.917 -0.717 1 1 1180 . 19 1 1 A 117 117 ARG H H 117 8.414 8.550 -0.136 1 1 1181 . 19 1 1 A 117 117 ARG HA H 117 4.699 4.773 -0.074 1 1 1189 . 19 1 1 A 117 117 ARG C C 117 175.260 175.376 -0.116 1 1 1190 . 19 1 1 A 117 117 ARG CA C 117 52.990 54.844 -1.854 1 1 1191 . 19 1 1 A 117 117 ARG CB C 117 24.560 33.837 -9.277 1 1 1192 . 19 1 1 A 117 117 ARG N N 117 121.900 123.445 -1.545 1 1 1194 . 19 1 1 A 118 118 ASN H H 118 8.741 9.001 -0.260 1 1 1195 . 19 1 1 A 118 118 ASN HA H 118 4.731 4.761 -0.030 1 1 1200 . 19 1 1 A 118 118 ASN C C 118 175.220 174.511 0.709 1 1 1201 . 19 1 1 A 118 118 ASN CA C 118 55.090 54.558 0.532 1 1 1202 . 19 1 1 A 118 118 ASN CB C 118 38.920 40.493 -1.573 1 1 1203 . 19 1 1 A 118 118 ASN N N 118 120.190 121.892 -1.702 1 1 1205 . 19 1 1 A 119 119 ALA H H 119 7.372 7.747 -0.375 1 1 1206 . 19 1 1 A 119 119 ALA HA H 119 5.319 5.079 0.240 1 1 1210 . 19 1 1 A 119 119 ALA C C 119 176.720 175.138 1.582 1 1 1211 . 19 1 1 A 119 119 ALA CA C 119 52.120 51.222 0.898 1 1 1212 . 19 1 1 A 119 119 ALA CB C 119 21.460 22.404 -0.944 1 1 1213 . 19 1 1 A 119 119 ALA N N 119 120.380 119.070 1.310 1 1 1214 . 19 1 1 A 120 120 GLN H H 120 8.787 8.761 0.026 1 1 1215 . 19 1 1 A 120 120 GLN HA H 120 4.505 4.631 -0.126 1 1 1222 . 19 1 1 A 120 120 GLN C C 120 174.380 174.074 0.306 1 1 1223 . 19 1 1 A 120 120 GLN CA C 120 56.030 55.007 1.023 1 1 1224 . 19 1 1 A 120 120 GLN CB C 120 32.790 33.020 -0.230 1 1 1225 . 19 1 1 A 120 120 GLN N N 120 121.180 121.484 -0.304 1 1 1227 . 19 1 1 A 121 121 VAL H H 121 8.692 8.630 0.062 1 1 1228 . 19 1 1 A 121 121 VAL HA H 121 4.258 4.335 -0.077 1 1 1236 . 19 1 1 A 121 121 VAL C C 121 176.510 175.388 1.122 1 1 1237 . 19 1 1 A 121 121 VAL CA C 121 64.140 62.977 1.163 1 1 1238 . 19 1 1 A 121 121 VAL CB C 121 31.700 31.804 -0.104 1 1 1239 . 19 1 1 A 121 121 VAL N N 121 129.930 126.053 3.877 1 1 1240 . 19 1 1 A 122 122 MET H H 122 8.924 9.335 -0.411 1 1 1241 . 19 1 1 A 122 122 MET HA H 122 4.419 4.809 -0.390 1 1 1249 . 19 1 1 A 122 122 MET C C 122 174.380 175.510 -1.130 1 1 1250 . 19 1 1 A 122 122 MET CA C 122 55.740 54.349 1.391 1 1 1251 . 19 1 1 A 122 122 MET CB C 122 35.140 33.913 1.227 1 1 1252 . 19 1 1 A 122 122 MET N N 122 129.560 127.331 2.229 1 1 1253 . 19 1 1 A 123 123 GLN H H 123 9.002 9.114 -0.112 1 1 1254 . 19 1 1 A 123 123 GLN HA H 123 4.823 4.963 -0.140 1 1 1261 . 19 1 1 A 123 123 GLN C C 123 175.530 174.401 1.129 1 1 1262 . 19 1 1 A 123 123 GLN CA C 123 53.570 53.971 -0.401 1 1 1263 . 19 1 1 A 123 123 GLN CB C 123 32.290 32.492 -0.202 1 1 1264 . 19 1 1 A 123 123 GLN N N 123 119.810 123.127 -3.317 1 1 1266 . 19 1 1 A 124 124 THR H H 124 9.036 8.564 0.472 1 1 1267 . 19 1 1 A 124 124 THR HA H 124 4.208 4.330 -0.122 1 1 1272 . 19 1 1 A 124 124 THR C C 124 175.300 175.623 -0.323 1 1 1273 . 19 1 1 A 124 124 THR CA C 124 65.510 63.704 1.806 1 1 1274 . 19 1 1 A 124 124 THR CB C 124 69.560 68.622 0.938 1 1 1275 . 19 1 1 A 124 124 THR N N 124 119.570 117.863 1.707 1 1 1276 . 19 1 1 A 125 125 GLY H H 125 9.921 9.617 0.304 1 1 1277 . 19 1 1 A 125 125 GLY HA2 H 125 4.552 4.000 0.552 1 1 1278 . 19 1 1 A 125 125 GLY HA3 H 125 3.480 4.008 -0.528 1 1 1279 . 19 1 1 A 125 125 GLY C C 125 174.650 173.728 0.922 1 1 1280 . 19 1 1 A 125 125 GLY CA C 125 44.710 44.914 -0.204 1 1 1281 . 19 1 1 A 125 125 GLY N N 125 117.920 117.079 0.841 1 1 1282 . 19 1 1 A 126 126 ASP H H 126 8.638 7.678 0.960 1 1 1283 . 19 1 1 A 126 126 ASP HA H 126 4.876 4.870 0.006 1 1 1286 . 19 1 1 A 126 126 ASP C C 126 174.650 175.436 -0.786 1 1 1287 . 19 1 1 A 126 126 ASP CA C 126 56.140 53.376 2.764 1 1 1288 . 19 1 1 A 126 126 ASP CB C 126 41.690 42.423 -0.733 1 1 1289 . 19 1 1 A 126 126 ASP N N 126 123.190 121.459 1.731 1 1 1290 . 19 1 1 A 127 127 GLU H H 127 8.316 8.674 -0.358 1 1 1291 . 19 1 1 A 127 127 GLU HA H 127 5.341 5.106 0.235 1 1 1296 . 19 1 1 A 127 127 GLU C C 127 175.990 175.406 0.584 1 1 1297 . 19 1 1 A 127 127 GLU CA C 127 54.440 54.870 -0.430 1 1 1298 . 19 1 1 A 127 127 GLU CB C 127 32.790 32.501 0.289 1 1 1299 . 19 1 1 A 127 127 GLU N N 127 118.480 122.693 -4.213 1 1 1300 . 19 1 1 A 128 128 ILE H H 128 9.910 9.380 0.530 1 1 1301 . 19 1 1 A 128 128 ILE HA H 128 5.334 4.559 0.775 1 1 1311 . 19 1 1 A 128 128 ILE C C 128 174.700 174.383 0.317 1 1 1312 . 19 1 1 A 128 128 ILE CA C 128 59.470 60.255 -0.785 1 1 1313 . 19 1 1 A 128 128 ILE CB C 128 40.600 38.868 1.732 1 1 1314 . 19 1 1 A 128 128 ILE N N 128 128.810 125.139 3.671 1 1 1315 . 19 1 1 A 129 129 GLN H H 129 9.502 9.665 -0.163 1 1 1316 . 19 1 1 A 129 129 GLN HA H 129 5.406 5.036 0.370 1 1 1323 . 19 1 1 A 129 129 GLN C C 129 174.950 174.641 0.309 1 1 1324 . 19 1 1 A 129 129 GLN CA C 129 54.800 54.413 0.387 1 1 1325 . 19 1 1 A 129 129 GLN CB C 129 30.690 32.288 -1.598 1 1 1326 . 19 1 1 A 129 129 GLN N N 129 129.270 128.571 0.699 1 1 1328 . 19 1 1 A 130 130 ILE H H 130 8.498 8.685 -0.187 1 1 1329 . 19 1 1 A 130 130 ILE HA H 130 4.116 4.360 -0.244 1 1 1339 . 19 1 1 A 130 130 ILE C C 130 174.860 175.927 -1.067 1 1 1340 . 19 1 1 A 130 130 ILE CA C 130 60.740 59.778 0.962 1 1 1341 . 19 1 1 A 130 130 ILE CB C 130 41.440 37.855 3.585 1 1 1342 . 19 1 1 A 130 130 ILE N N 130 129.070 128.203 0.867 1 1 1343 . 19 1 1 A 131 131 GLY H H 131 9.924 9.431 0.493 1 1 1344 . 19 1 1 A 131 131 GLY HA2 H 131 3.768 3.877 -0.109 1 1 1345 . 19 1 1 A 131 131 GLY HA3 H 131 3.337 4.037 -0.700 1 1 1346 . 19 1 1 A 131 131 GLY C C 131 174.590 174.775 -0.185 1 1 1347 . 19 1 1 A 131 131 GLY CA C 131 46.700 47.434 -0.734 1 1 1348 . 19 1 1 A 131 131 GLY N N 131 116.470 118.150 -1.680 1 1 1349 . 19 1 1 A 132 132 LYS H H 132 7.141 8.679 -1.538 1 1 1350 . 19 1 1 A 132 132 LYS HA H 132 3.750 4.503 -0.753 1 1 1357 . 19 1 1 A 132 132 LYS C C 132 175.820 175.695 0.125 1 1 1358 . 19 1 1 A 132 132 LYS CA C 132 57.550 55.828 1.722 1 1 1359 . 19 1 1 A 132 132 LYS CB C 132 33.300 33.231 0.069 1 1 1360 . 19 1 1 A 132 132 LYS N N 132 122.960 125.745 -2.785 1 1 1361 . 19 1 1 A 133 133 PHE H H 133 8.360 7.415 0.945 1 1 1362 . 19 1 1 A 133 133 PHE HA H 133 4.601 5.498 -0.897 1 1 1370 . 19 1 1 A 133 133 PHE C C 133 174.910 173.881 1.029 1 1 1371 . 19 1 1 A 133 133 PHE CA C 133 58.600 55.155 3.445 1 1 1372 . 19 1 1 A 133 133 PHE CB C 133 40.510 42.484 -1.974 1 1 1373 . 19 1 1 A 133 133 PHE N N 133 118.170 116.157 2.013 1 1 1374 . 19 1 1 A 134 134 ARG H H 134 8.698 8.721 -0.023 1 1 1375 . 19 1 1 A 134 134 ARG HA H 134 5.212 5.262 -0.050 1 1 1383 . 19 1 1 A 134 134 ARG C C 134 175.150 174.694 0.456 1 1 1384 . 19 1 1 A 134 134 ARG CA C 134 55.060 54.599 0.461 1 1 1385 . 19 1 1 A 134 134 ARG CB C 134 33.550 34.377 -0.827 1 1 1386 . 19 1 1 A 134 134 ARG N N 134 120.770 119.197 1.573 1 1 1388 . 19 1 1 A 135 135 LEU H H 135 9.904 9.280 0.624 1 1 1389 . 19 1 1 A 135 135 LEU HA H 135 5.544 5.457 0.087 1 1 1399 . 19 1 1 A 135 135 LEU C C 135 175.260 175.583 -0.323 1 1 1400 . 19 1 1 A 135 135 LEU CA C 135 53.930 53.570 0.360 1 1 1401 . 19 1 1 A 135 135 LEU CB C 135 45.550 45.242 0.308 1 1 1402 . 19 1 1 A 135 135 LEU N N 135 127.130 123.715 3.415 1 1 1403 . 19 1 1 A 136 136 VAL H H 136 9.350 9.441 -0.091 1 1 1404 . 19 1 1 A 136 136 VAL HA H 136 5.226 4.869 0.357 1 1 1412 . 19 1 1 A 136 136 VAL C C 136 174.050 173.984 0.066 1 1 1413 . 19 1 1 A 136 136 VAL CA C 136 60.520 60.718 -0.198 1 1 1414 . 19 1 1 A 136 136 VAL CB C 136 34.890 34.340 0.550 1 1 1415 . 19 1 1 A 136 136 VAL N N 136 121.300 123.024 -1.724 1 1 1416 . 19 1 1 A 137 137 PHE H H 137 8.492 9.039 -0.547 1 1 1417 . 19 1 1 A 137 137 PHE HA H 137 5.007 5.242 -0.235 1 1 1424 . 19 1 1 A 137 137 PHE C C 137 173.340 173.825 -0.485 1 1 1425 . 19 1 1 A 137 137 PHE CA C 137 57.010 55.997 1.013 1 1 1426 . 19 1 1 A 137 137 PHE CB C 137 41.770 41.206 0.564 1 1 1427 . 19 1 1 A 137 137 PHE N N 137 127.550 128.203 -0.653 1 1 1428 . 19 1 1 A 138 138 LEU H H 138 8.535 8.928 -0.393 1 1 1429 . 19 1 1 A 138 138 LEU HA H 138 4.345 4.959 -0.614 1 1 1439 . 19 1 1 A 138 138 LEU C C 138 173.390 175.047 -1.657 1 1 1440 . 19 1 1 A 138 138 LEU CA C 138 53.680 53.343 0.337 1 1 1441 . 19 1 1 A 138 138 LEU CB C 138 45.210 45.598 -0.388 1 1 1442 . 19 1 1 A 138 138 LEU N N 138 128.590 128.351 0.239 1 1 1443 . 19 1 1 A 139 139 ALA H H 139 7.502 8.287 -0.785 1 1 1444 . 19 1 1 A 139 139 ALA HA H 139 3.952 4.253 -0.301 1 1 1448 . 19 1 1 A 139 139 ALA C C 139 178.010 177.505 0.505 1 1 1449 . 19 1 1 A 139 139 ALA CA C 139 51.650 51.901 -0.251 1 1 1450 . 19 1 1 A 139 139 ALA CB C 139 20.700 18.896 1.804 1 1 1451 . 19 1 1 A 139 139 ALA N N 139 123.250 124.939 -1.689 1 1 1452 . 19 1 1 A 140 140 GLY H H 140 7.968 8.330 -0.362 1 1 1453 . 19 1 1 A 140 140 GLY HA2 H 140 4.202 4.000 0.202 1 1 1454 . 19 1 1 A 140 140 GLY HA3 H 140 3.595 4.001 -0.406 1 1 1455 . 19 1 1 A 140 140 GLY C C 140 171.240 173.846 -2.606 1 1 1456 . 19 1 1 A 140 140 GLY CA C 140 44.710 44.724 -0.014 1 1 1457 . 19 1 1 A 140 140 GLY N N 140 108.040 110.054 -2.014 1 1 1458 . 19 1 1 A 141 141 PRO HA H 141 4.460 4.694 -0.234 1 1 1463 . 19 1 1 A 141 141 PRO C C 141 176.150 176.770 -0.620 1 1 1464 . 19 1 1 A 141 141 PRO CA C 141 63.230 62.732 0.498 1 1 1465 . 19 1 1 A 141 141 PRO CB C 141 32.370 32.312 0.058 1 1 1466 . 19 1 1 A 142 142 ALA H H 142 8.496 8.331 0.165 1 1 1467 . 19 1 1 A 142 142 ALA HA H 142 4.363 4.517 -0.154 1 1 1471 . 19 1 1 A 142 142 ALA C C 142 177.320 177.427 -0.107 1 1 1472 . 19 1 1 A 142 142 ALA CA C 142 52.740 51.398 1.342 1 1 1473 . 19 1 1 A 142 142 ALA CB C 142 19.780 19.477 0.303 1 1 1474 . 19 1 1 A 142 142 ALA N N 142 124.080 124.004 0.076 1 1 4 . 20 1 1 A 2 2 SER H H 2 8.404 8.599 -0.195 1 1 5 . 20 1 1 A 2 2 SER HA H 2 4.430 4.513 -0.083 1 1 8 . 20 1 1 A 2 2 SER C C 2 174.220 173.329 0.891 1 1 9 . 20 1 1 A 2 2 SER CA C 2 58.650 57.645 1.005 1 1 10 . 20 1 1 A 2 2 SER CB C 2 64.280 63.785 0.495 1 1 11 . 20 1 1 A 2 2 SER N N 2 116.880 113.712 3.168 1 1 12 . 20 1 1 A 3 3 ASP H H 3 8.314 8.808 -0.494 1 1 13 . 20 1 1 A 3 3 ASP HA H 3 4.594 4.838 -0.244 1 1 16 . 20 1 1 A 3 3 ASP C C 3 176.070 174.565 1.505 1 1 17 . 20 1 1 A 3 3 ASP CA C 3 54.580 53.040 1.540 1 1 18 . 20 1 1 A 3 3 ASP CB C 3 41.530 40.965 0.565 1 1 19 . 20 1 1 A 3 3 ASP N N 3 122.210 125.399 -3.189 1 1 20 . 20 1 1 A 4 4 ASN H H 4 8.326 8.779 -0.453 1 1 21 . 20 1 1 A 4 4 ASN HA H 4 4.748 5.230 -0.482 1 1 24 . 20 1 1 A 4 4 ASN C C 4 175.130 174.481 0.649 1 1 25 . 20 1 1 A 4 4 ASN CA C 4 53.430 52.824 0.606 1 1 26 . 20 1 1 A 4 4 ASN CB C 4 38.920 39.163 -0.243 1 1 27 . 20 1 1 A 4 4 ASN N N 4 118.670 125.156 -6.486 1 1 28 . 20 1 1 A 5 5 ASN H H 5 8.467 8.924 -0.457 1 1 29 . 20 1 1 A 5 5 ASN HA H 5 4.702 5.153 -0.451 1 1 32 . 20 1 1 A 5 5 ASN C C 5 175.700 173.633 2.067 1 1 33 . 20 1 1 A 5 5 ASN CA C 5 53.610 52.118 1.492 1 1 34 . 20 1 1 A 5 5 ASN CB C 5 39.090 40.347 -1.257 1 1 35 . 20 1 1 A 5 5 ASN N N 5 119.070 120.511 -1.441 1 1 36 . 20 1 1 A 6 6 GLY H H 6 8.333 8.357 -0.024 1 1 37 . 20 1 1 A 6 6 GLY HA2 H 6 3.960 4.200 -0.240 1 1 38 . 20 1 1 A 6 6 GLY HA3 H 6 3.960 4.201 -0.241 1 1 39 . 20 1 1 A 6 6 GLY C C 6 174.050 171.366 2.684 1 1 40 . 20 1 1 A 6 6 GLY CA C 6 45.390 46.069 -0.679 1 1 41 . 20 1 1 A 6 6 GLY N N 6 109.000 105.647 3.353 1 1 42 . 20 1 1 A 7 7 THR H H 7 8.076 8.344 -0.268 1 1 43 . 20 1 1 A 7 7 THR HA H 7 4.591 4.929 -0.338 1 1 48 . 20 1 1 A 7 7 THR C C 7 172.840 172.636 0.204 1 1 49 . 20 1 1 A 7 7 THR CA C 7 60.050 58.768 1.282 1 1 50 . 20 1 1 A 7 7 THR N N 7 116.910 115.000 1.910 1 1 51 . 20 1 1 A 8 8 PRO HA H 8 4.414 4.557 -0.143 1 1 54 . 20 1 1 A 8 8 PRO C C 8 176.690 176.588 0.102 1 1 55 . 20 1 1 A 8 8 PRO CA C 8 63.090 62.952 0.138 1 1 56 . 20 1 1 A 8 8 PRO CB C 8 32.290 32.257 0.033 1 1 57 . 20 1 1 A 9 9 GLU H H 9 8.467 8.542 -0.075 1 1 58 . 20 1 1 A 9 9 GLU HA H 9 4.527 4.860 -0.333 1 1 63 . 20 1 1 A 9 9 GLU C C 9 174.680 175.443 -0.763 1 1 64 . 20 1 1 A 9 9 GLU CA C 9 54.550 53.430 1.120 1 1 65 . 20 1 1 A 9 9 GLU N N 9 122.910 122.149 0.761 1 1 66 . 20 1 1 A 10 10 PRO HA H 10 4.371 4.746 -0.375 1 1 71 . 20 1 1 A 10 10 PRO C C 10 176.820 176.240 0.580 1 1 72 . 20 1 1 A 10 10 PRO CA C 10 63.300 62.297 1.003 1 1 73 . 20 1 1 A 10 10 PRO CB C 10 32.290 33.229 -0.939 1 1 74 . 20 1 1 A 11 11 GLN H H 11 8.543 8.533 0.010 1 1 75 . 20 1 1 A 11 11 GLN HA H 11 4.334 4.704 -0.370 1 1 82 . 20 1 1 A 11 11 GLN C C 11 176.010 174.549 1.461 1 1 83 . 20 1 1 A 11 11 GLN CA C 11 55.710 55.031 0.679 1 1 84 . 20 1 1 A 11 11 GLN CB C 11 29.520 30.159 -0.639 1 1 85 . 20 1 1 A 11 11 GLN N N 11 121.100 120.840 0.260 1 1 87 . 20 1 1 A 12 12 VAL H H 12 8.201 8.796 -0.595 1 1 88 . 20 1 1 A 12 12 VAL HA H 12 4.144 4.636 -0.492 1 1 96 . 20 1 1 A 12 12 VAL C C 12 175.940 175.520 0.420 1 1 97 . 20 1 1 A 12 12 VAL CA C 12 62.110 61.562 0.548 1 1 98 . 20 1 1 A 12 12 VAL CB C 12 32.800 32.733 0.067 1 1 99 . 20 1 1 A 12 12 VAL N N 12 122.070 125.512 -3.442 1 1 100 . 20 1 1 A 13 13 GLU H H 13 8.593 8.800 -0.207 1 1 101 . 20 1 1 A 13 13 GLU HA H 13 4.329 4.924 -0.595 1 1 106 . 20 1 1 A 13 13 GLU C C 13 176.720 175.744 0.976 1 1 107 . 20 1 1 A 13 13 GLU CA C 13 56.830 54.310 2.520 1 1 108 . 20 1 1 A 13 13 GLU CB C 13 30.860 32.921 -2.061 1 1 109 . 20 1 1 A 13 13 GLU N N 13 124.660 126.830 -2.170 1 1 138 . 20 1 1 A 17 17 VAL H H 17 8.458 8.602 -0.144 1 1 139 . 20 1 1 A 17 17 VAL HA H 17 4.183 4.792 -0.609 1 1 147 . 20 1 1 A 17 17 VAL C C 17 175.950 175.610 0.340 1 1 148 . 20 1 1 A 17 17 VAL CA C 17 63.780 62.841 0.939 1 1 149 . 20 1 1 A 17 17 VAL CB C 17 32.460 31.248 1.212 1 1 150 . 20 1 1 A 17 17 VAL N N 17 124.860 123.986 0.874 1 1 151 . 20 1 1 A 18 18 PHE H H 18 8.579 8.516 0.063 1 1 152 . 20 1 1 A 18 18 PHE HA H 18 4.650 5.858 -1.208 1 1 160 . 20 1 1 A 18 18 PHE C C 18 173.450 173.813 -0.363 1 1 161 . 20 1 1 A 18 18 PHE CA C 18 57.480 55.078 2.402 1 1 162 . 20 1 1 A 18 18 PHE CB C 18 41.950 42.737 -0.787 1 1 163 . 20 1 1 A 18 18 PHE N N 18 127.160 124.172 2.988 1 1 164 . 20 1 1 A 19 19 ARG H H 19 7.920 9.175 -1.255 1 1 165 . 20 1 1 A 19 19 ARG HA H 19 4.196 5.201 -1.005 1 1 170 . 20 1 1 A 19 19 ARG C C 19 174.930 174.889 0.041 1 1 171 . 20 1 1 A 19 19 ARG CA C 19 54.800 54.293 0.507 1 1 172 . 20 1 1 A 19 19 ARG CB C 19 30.610 33.855 -3.245 1 1 173 . 20 1 1 A 19 19 ARG N N 19 127.500 119.328 8.172 1 1 174 . 20 1 1 A 20 20 ALA H H 20 8.067 8.696 -0.629 1 1 175 . 20 1 1 A 20 20 ALA HA H 20 3.729 4.864 -1.135 1 1 179 . 20 1 1 A 20 20 ALA C C 20 177.630 177.611 0.019 1 1 180 . 20 1 1 A 20 20 ALA CA C 20 53.280 50.591 2.689 1 1 181 . 20 1 1 A 20 20 ALA CB C 20 18.860 22.935 -4.075 1 1 182 . 20 1 1 A 20 20 ALA N N 20 126.460 122.345 4.115 1 1 183 . 20 1 1 A 21 21 ASP H H 21 8.355 8.921 -0.566 1 1 184 . 20 1 1 A 21 21 ASP HA H 21 4.350 4.593 -0.243 1 1 187 . 20 1 1 A 21 21 ASP C C 21 176.720 177.994 -1.274 1 1 188 . 20 1 1 A 21 21 ASP CA C 21 54.480 55.478 -0.998 1 1 189 . 20 1 1 A 21 21 ASP CB C 21 40.350 40.945 -0.595 1 1 190 . 20 1 1 A 21 21 ASP N N 21 117.850 119.173 -1.323 1 1 191 . 20 1 1 A 22 22 LEU H H 22 7.705 7.866 -0.161 1 1 192 . 20 1 1 A 22 22 LEU HA H 22 4.088 3.982 0.106 1 1 202 . 20 1 1 A 22 22 LEU C C 22 177.760 178.436 -0.676 1 1 203 . 20 1 1 A 22 22 LEU CA C 22 55.780 57.834 -2.054 1 1 204 . 20 1 1 A 22 22 LEU CB C 22 41.860 41.353 0.507 1 1 205 . 20 1 1 A 22 22 LEU N N 22 121.600 118.234 3.366 1 1 206 . 20 1 1 A 23 23 LEU H H 23 7.717 8.033 -0.316 1 1 207 . 20 1 1 A 23 23 LEU HA H 23 4.166 3.862 0.304 1 1 217 . 20 1 1 A 23 23 LEU C C 23 177.840 179.372 -1.532 1 1 218 . 20 1 1 A 23 23 LEU CA C 23 55.960 57.167 -1.207 1 1 219 . 20 1 1 A 23 23 LEU CB C 23 41.950 40.861 1.089 1 1 220 . 20 1 1 A 23 23 LEU N N 23 120.360 118.852 1.508 1 1 221 . 20 1 1 A 24 24 LYS H H 24 7.933 8.125 -0.192 1 1 222 . 20 1 1 A 24 24 LYS HA H 24 4.174 3.905 0.269 1 1 229 . 20 1 1 A 24 24 LYS C C 24 177.190 178.389 -1.199 1 1 230 . 20 1 1 A 24 24 LYS CA C 24 57.050 59.392 -2.342 1 1 231 . 20 1 1 A 24 24 LYS CB C 24 32.880 32.147 0.733 1 1 232 . 20 1 1 A 24 24 LYS N N 24 121.120 121.565 -0.445 1 1 233 . 20 1 1 A 25 25 GLU H H 25 8.160 7.989 0.171 1 1 234 . 20 1 1 A 25 25 GLU HA H 25 4.199 4.089 0.110 1 1 239 . 20 1 1 A 25 25 GLU C C 25 176.900 178.860 -1.960 1 1 240 . 20 1 1 A 25 25 GLU CA C 25 57.010 59.000 -1.990 1 1 241 . 20 1 1 A 25 25 GLU CB C 25 30.280 28.980 1.300 1 1 242 . 20 1 1 A 25 25 GLU N N 25 121.550 118.696 2.854 1 1 243 . 20 1 1 A 26 26 MET H H 26 8.270 8.149 0.121 1 1 244 . 20 1 1 A 26 26 MET HA H 26 4.360 4.073 0.287 1 1 252 . 20 1 1 A 26 26 MET C C 26 176.440 178.036 -1.596 1 1 253 . 20 1 1 A 26 26 MET CA C 26 56.180 58.337 -2.157 1 1 254 . 20 1 1 A 26 26 MET CB C 26 33.050 31.809 1.241 1 1 255 . 20 1 1 A 26 26 MET N N 26 120.730 119.288 1.442 1 1 256 . 20 1 1 A 27 27 GLU H H 27 8.297 7.713 0.584 1 1 257 . 20 1 1 A 27 27 GLU HA H 27 4.264 3.965 0.299 1 1 262 . 20 1 1 A 27 27 GLU C C 27 176.650 179.277 -2.627 1 1 263 . 20 1 1 A 27 27 GLU CA C 27 56.830 59.117 -2.287 1 1 264 . 20 1 1 A 27 27 GLU CB C 27 30.530 29.217 1.313 1 1 265 . 20 1 1 A 27 27 GLU N N 27 121.650 119.360 2.290 1 1 266 . 20 1 1 A 28 28 SER H H 28 8.279 7.889 0.390 1 1 267 . 20 1 1 A 28 28 SER HA H 28 4.473 4.291 0.182 1 1 270 . 20 1 1 A 28 28 SER C C 28 174.760 175.144 -0.384 1 1 271 . 20 1 1 A 28 28 SER CA C 28 58.460 60.928 -2.468 1 1 272 . 20 1 1 A 28 28 SER CB C 28 64.190 63.416 0.774 1 1 273 . 20 1 1 A 28 28 SER N N 28 116.610 117.904 -1.294 1 1 274 . 20 1 1 A 29 29 SER H H 29 8.443 7.689 0.754 1 1 275 . 20 1 1 A 29 29 SER HA H 29 4.541 4.393 0.148 1 1 278 . 20 1 1 A 29 29 SER C C 29 174.950 173.819 1.131 1 1 279 . 20 1 1 A 29 29 SER CA C 29 58.530 59.900 -1.370 1 1 280 . 20 1 1 A 29 29 SER CB C 29 64.190 63.665 0.525 1 1 281 . 20 1 1 A 29 29 SER N N 29 118.290 114.939 3.351 1 1 282 . 20 1 1 A 30 30 THR H H 30 8.220 7.397 0.823 1 1 283 . 20 1 1 A 30 30 THR HA H 30 4.372 4.671 -0.299 1 1 288 . 20 1 1 A 30 30 THR C C 30 175.280 174.402 0.878 1 1 289 . 20 1 1 A 30 30 THR CA C 30 62.260 60.505 1.755 1 1 290 . 20 1 1 A 30 30 THR CB C 30 69.900 68.629 1.271 1 1 291 . 20 1 1 A 30 30 THR N N 30 115.600 114.525 1.075 1 1 292 . 20 1 1 A 31 31 GLY H H 31 8.401 8.584 -0.183 1 1 293 . 20 1 1 A 31 31 GLY HA2 H 31 4.005 4.113 -0.108 1 1 294 . 20 1 1 A 31 31 GLY HA3 H 31 4.005 4.113 -0.108 1 1 295 . 20 1 1 A 31 31 GLY C C 31 174.160 173.381 0.779 1 1 296 . 20 1 1 A 31 31 GLY CA C 31 45.470 45.800 -0.330 1 1 297 . 20 1 1 A 31 31 GLY N N 31 111.270 113.783 -2.513 1 1 298 . 20 1 1 A 32 32 THR H H 32 8.034 8.159 -0.125 1 1 299 . 20 1 1 A 32 32 THR HA H 32 4.319 4.630 -0.311 1 1 304 . 20 1 1 A 32 32 THR C C 32 174.130 174.208 -0.078 1 1 305 . 20 1 1 A 32 32 THR CA C 32 61.710 61.676 0.034 1 1 306 . 20 1 1 A 32 32 THR CB C 32 70.150 70.650 -0.500 1 1 307 . 20 1 1 A 32 32 THR N N 32 113.770 113.263 0.507 1 1 308 . 20 1 1 A 33 33 ALA H H 33 8.410 8.622 -0.212 1 1 309 . 20 1 1 A 33 33 ALA HA H 33 4.581 4.525 0.056 1 1 313 . 20 1 1 A 33 33 ALA C C 33 175.490 175.693 -0.203 1 1 314 . 20 1 1 A 33 33 ALA CA C 33 50.680 50.823 -0.143 1 1 315 . 20 1 1 A 33 33 ALA N N 33 128.320 128.389 -0.069 1 1 316 . 20 1 1 A 34 34 PRO HA H 34 4.389 4.604 -0.215 1 1 321 . 20 1 1 A 34 34 PRO C C 34 176.650 176.072 0.578 1 1 322 . 20 1 1 A 34 34 PRO CA C 34 63.090 62.747 0.343 1 1 323 . 20 1 1 A 34 34 PRO CB C 34 32.210 32.423 -0.213 1 1 324 . 20 1 1 A 35 35 ALA H H 35 8.433 8.421 0.012 1 1 325 . 20 1 1 A 35 35 ALA HA H 35 4.275 4.990 -0.715 1 1 329 . 20 1 1 A 35 35 ALA C C 35 177.730 175.816 1.914 1 1 330 . 20 1 1 A 35 35 ALA CA C 35 52.590 50.827 1.763 1 1 331 . 20 1 1 A 35 35 ALA CB C 35 19.450 22.259 -2.809 1 1 332 . 20 1 1 A 35 35 ALA N N 35 124.330 123.588 0.742 1 1 333 . 20 1 1 A 36 36 SER H H 36 8.259 8.844 -0.585 1 1 334 . 20 1 1 A 36 36 SER HA H 36 4.474 4.926 -0.452 1 1 337 . 20 1 1 A 36 36 SER C C 36 174.860 173.898 0.962 1 1 338 . 20 1 1 A 36 36 SER CA C 36 58.130 55.492 2.638 1 1 339 . 20 1 1 A 36 36 SER CB C 36 64.190 65.490 -1.300 1 1 340 . 20 1 1 A 36 36 SER N N 36 114.560 116.521 -1.961 1 1 341 . 20 1 1 A 37 37 THR H H 37 8.325 8.678 -0.353 1 1 342 . 20 1 1 A 37 37 THR HA H 37 4.281 4.520 -0.239 1 1 346 . 20 1 1 A 37 37 THR C C 37 175.110 174.773 0.337 1 1 347 . 20 1 1 A 37 37 THR CA C 37 62.260 62.155 0.105 1 1 348 . 20 1 1 A 37 37 THR CB C 37 70.150 69.411 0.739 1 1 349 . 20 1 1 A 37 37 THR N N 37 115.300 118.055 -2.755 1 1 350 . 20 1 1 A 38 38 GLY H H 38 8.511 7.786 0.725 1 1 351 . 20 1 1 A 38 38 GLY HA2 H 38 3.975 4.001 -0.026 1 1 352 . 20 1 1 A 38 38 GLY HA3 H 38 3.809 4.003 -0.194 1 1 353 . 20 1 1 A 38 38 GLY C C 38 174.470 175.230 -0.760 1 1 354 . 20 1 1 A 38 38 GLY CA C 38 45.470 46.344 -0.874 1 1 355 . 20 1 1 A 38 38 GLY N N 38 110.440 109.896 0.544 1 1 356 . 20 1 1 A 39 39 ALA H H 39 8.245 8.011 0.234 1 1 357 . 20 1 1 A 39 39 ALA HA H 39 4.164 4.234 -0.070 1 1 361 . 20 1 1 A 39 39 ALA C C 39 177.590 177.844 -0.254 1 1 362 . 20 1 1 A 39 39 ALA CA C 39 52.560 52.778 -0.218 1 1 363 . 20 1 1 A 39 39 ALA CB C 39 19.360 18.797 0.563 1 1 364 . 20 1 1 A 39 39 ALA N N 39 124.080 122.339 1.741 1 1 365 . 20 1 1 A 40 40 GLU H H 40 8.721 8.899 -0.178 1 1 366 . 20 1 1 A 40 40 GLU HA H 40 4.083 4.200 -0.117 1 1 371 . 20 1 1 A 40 40 GLU C C 40 176.320 176.853 -0.533 1 1 372 . 20 1 1 A 40 40 GLU CA C 40 57.910 57.754 0.156 1 1 373 . 20 1 1 A 40 40 GLU CB C 40 29.520 28.230 1.290 1 1 374 . 20 1 1 A 40 40 GLU N N 40 118.270 117.789 0.481 1 1 375 . 20 1 1 A 41 41 ASN H H 41 8.226 7.859 0.367 1 1 376 . 20 1 1 A 41 41 ASN HA H 41 4.716 4.657 0.059 1 1 381 . 20 1 1 A 41 41 ASN C C 41 174.800 175.236 -0.436 1 1 382 . 20 1 1 A 41 41 ASN CA C 41 52.880 53.039 -0.159 1 1 383 . 20 1 1 A 41 41 ASN CB C 41 38.840 38.781 0.059 1 1 384 . 20 1 1 A 41 41 ASN N N 41 117.620 117.307 0.313 1 1 386 . 20 1 1 A 42 42 LEU H H 42 7.629 7.869 -0.240 1 1 387 . 20 1 1 A 42 42 LEU HA H 42 4.418 3.979 0.439 1 1 397 . 20 1 1 A 42 42 LEU C C 42 174.610 176.947 -2.337 1 1 398 . 20 1 1 A 42 42 LEU CA C 42 53.170 55.414 -2.244 1 1 399 . 20 1 1 A 42 42 LEU N N 42 123.010 116.593 6.417 1 1 400 . 20 1 1 A 43 43 PRO HA H 43 4.366 4.259 0.107 1 1 407 . 20 1 1 A 43 43 PRO C C 43 177.050 178.633 -1.583 1 1 408 . 20 1 1 A 43 43 PRO CA C 43 62.260 66.222 -3.962 1 1 409 . 20 1 1 A 43 43 PRO CB C 43 32.380 31.249 1.131 1 1 410 . 20 1 1 A 44 44 ALA H H 44 8.552 7.602 0.950 1 1 411 . 20 1 1 A 44 44 ALA HA H 44 4.223 4.247 -0.024 1 1 415 . 20 1 1 A 44 44 ALA C C 44 179.500 177.793 1.707 1 1 416 . 20 1 1 A 44 44 ALA CA C 44 53.250 52.119 1.131 1 1 417 . 20 1 1 A 44 44 ALA CB C 44 18.190 19.291 -1.101 1 1 418 . 20 1 1 A 44 44 ALA N N 44 125.070 118.354 6.716 1 1 419 . 20 1 1 A 45 45 GLY H H 45 8.897 9.312 -0.415 1 1 420 . 20 1 1 A 45 45 GLY HA2 H 45 4.214 3.917 0.297 1 1 421 . 20 1 1 A 45 45 GLY HA3 H 45 3.833 3.930 -0.097 1 1 422 . 20 1 1 A 45 45 GLY C C 45 173.720 173.452 0.268 1 1 423 . 20 1 1 A 45 45 GLY CA C 45 45.790 45.879 -0.089 1 1 424 . 20 1 1 A 45 45 GLY N N 45 110.600 109.114 1.486 1 1 425 . 20 1 1 A 46 46 SER H H 46 7.690 7.820 -0.130 1 1 426 . 20 1 1 A 46 46 SER HA H 46 5.338 5.214 0.124 1 1 429 . 20 1 1 A 46 46 SER C C 46 172.990 172.387 0.603 1 1 430 . 20 1 1 A 46 46 SER CA C 46 57.810 57.807 0.003 1 1 431 . 20 1 1 A 46 46 SER CB C 46 66.960 67.461 -0.501 1 1 432 . 20 1 1 A 46 46 SER N N 46 114.180 114.686 -0.506 1 1 433 . 20 1 1 A 47 47 ALA H H 47 8.435 8.442 -0.007 1 1 434 . 20 1 1 A 47 47 ALA HA H 47 4.338 5.084 -0.746 1 1 438 . 20 1 1 A 47 47 ALA C C 47 173.840 176.110 -2.270 1 1 439 . 20 1 1 A 47 47 ALA CA C 47 51.690 50.738 0.952 1 1 440 . 20 1 1 A 47 47 ALA CB C 47 24.570 23.333 1.237 1 1 441 . 20 1 1 A 47 47 ALA N N 47 120.900 123.888 -2.988 1 1 442 . 20 1 1 A 48 48 LEU H H 48 8.673 8.676 -0.003 1 1 443 . 20 1 1 A 48 48 LEU HA H 48 5.021 5.447 -0.426 1 1 453 . 20 1 1 A 48 48 LEU C C 48 174.680 175.584 -0.904 1 1 454 . 20 1 1 A 48 48 LEU CA C 48 53.350 52.429 0.921 1 1 455 . 20 1 1 A 48 48 LEU CB C 48 48.150 45.875 2.275 1 1 456 . 20 1 1 A 48 48 LEU N N 48 120.170 115.617 4.553 1 1 457 . 20 1 1 A 49 49 LEU H H 49 8.686 9.015 -0.329 1 1 458 . 20 1 1 A 49 49 LEU HA H 49 5.403 5.601 -0.198 1 1 468 . 20 1 1 A 49 49 LEU C C 49 176.170 175.192 0.978 1 1 469 . 20 1 1 A 49 49 LEU CA C 49 52.810 52.998 -0.188 1 1 470 . 20 1 1 A 49 49 LEU CB C 49 46.310 45.004 1.306 1 1 471 . 20 1 1 A 49 49 LEU N N 49 120.170 119.673 0.497 1 1 472 . 20 1 1 A 50 50 VAL H H 50 8.874 9.271 -0.397 1 1 473 . 20 1 1 A 50 50 VAL HA H 50 4.971 5.290 -0.319 1 1 481 . 20 1 1 A 50 50 VAL C C 50 176.740 174.367 2.373 1 1 482 . 20 1 1 A 50 50 VAL CA C 50 59.940 59.909 0.031 1 1 483 . 20 1 1 A 50 50 VAL CB C 50 34.970 35.291 -0.321 1 1 484 . 20 1 1 A 50 50 VAL N N 50 120.580 120.152 0.428 1 1 485 . 20 1 1 A 51 51 VAL H H 51 8.984 9.375 -0.391 1 1 486 . 20 1 1 A 51 51 VAL HA H 51 4.155 4.057 0.098 1 1 494 . 20 1 1 A 51 51 VAL C C 51 176.050 176.057 -0.007 1 1 495 . 20 1 1 A 51 51 VAL CA C 51 64.280 63.343 0.937 1 1 496 . 20 1 1 A 51 51 VAL CB C 51 31.280 31.263 0.017 1 1 497 . 20 1 1 A 51 51 VAL N N 51 125.710 128.816 -3.106 1 1 498 . 20 1 1 A 52 52 LYS H H 52 9.444 9.557 -0.113 1 1 499 . 20 1 1 A 52 52 LYS HA H 52 4.450 4.340 0.110 1 1 506 . 20 1 1 A 52 52 LYS C C 52 176.150 175.814 0.336 1 1 507 . 20 1 1 A 52 52 LYS CA C 52 57.050 57.513 -0.463 1 1 508 . 20 1 1 A 52 52 LYS CB C 52 34.470 33.916 0.554 1 1 509 . 20 1 1 A 52 52 LYS N N 52 132.750 129.942 2.808 1 1 510 . 20 1 1 A 53 53 ARG H H 53 8.051 7.402 0.649 1 1 511 . 20 1 1 A 53 53 ARG HA H 53 4.685 4.793 -0.108 1 1 516 . 20 1 1 A 53 53 ARG C C 53 173.470 174.712 -1.242 1 1 517 . 20 1 1 A 53 53 ARG CA C 53 55.090 55.458 -0.368 1 1 518 . 20 1 1 A 53 53 ARG CB C 53 34.300 34.088 0.212 1 1 519 . 20 1 1 A 53 53 ARG N N 53 117.320 118.650 -1.330 1 1 520 . 20 1 1 A 54 54 GLY H H 54 8.377 8.357 0.020 1 1 521 . 20 1 1 A 54 54 GLY HA2 H 54 4.215 3.908 0.307 1 1 522 . 20 1 1 A 54 54 GLY HA3 H 54 3.503 3.923 -0.420 1 1 523 . 20 1 1 A 54 54 GLY C C 54 171.870 174.391 -2.521 1 1 524 . 20 1 1 A 54 54 GLY CA C 54 43.770 44.327 -0.557 1 1 525 . 20 1 1 A 54 54 GLY N N 54 110.960 112.416 -1.456 1 1 526 . 20 1 1 A 55 55 PRO HA H 55 4.255 4.365 -0.110 1 1 531 . 20 1 1 A 55 55 PRO C C 55 175.940 177.357 -1.417 1 1 532 . 20 1 1 A 55 55 PRO CA C 55 64.390 64.982 -0.592 1 1 533 . 20 1 1 A 55 55 PRO CB C 55 31.360 31.876 -0.516 1 1 534 . 20 1 1 A 56 56 ASN H H 56 8.202 8.518 -0.316 1 1 535 . 20 1 1 A 56 56 ASN HA H 56 4.685 5.090 -0.405 1 1 540 . 20 1 1 A 56 56 ASN C C 56 174.410 175.478 -1.068 1 1 541 . 20 1 1 A 56 56 ASN CA C 56 52.120 52.645 -0.525 1 1 542 . 20 1 1 A 56 56 ASN CB C 56 37.070 38.867 -1.797 1 1 543 . 20 1 1 A 56 56 ASN N N 56 114.760 115.597 -0.837 1 1 545 . 20 1 1 A 57 57 ALA H H 57 7.283 7.681 -0.398 1 1 546 . 20 1 1 A 57 57 ALA HA H 57 3.618 4.171 -0.553 1 1 550 . 20 1 1 A 57 57 ALA C C 57 178.090 178.477 -0.387 1 1 551 . 20 1 1 A 57 57 ALA CA C 57 54.480 53.678 0.802 1 1 552 . 20 1 1 A 57 57 ALA CB C 57 17.760 18.947 -1.187 1 1 553 . 20 1 1 A 57 57 ALA N N 57 120.380 122.977 -2.597 1 1 554 . 20 1 1 A 58 58 GLY H H 58 9.052 9.164 -0.112 1 1 555 . 20 1 1 A 58 58 GLY HA2 H 58 4.449 4.024 0.425 1 1 556 . 20 1 1 A 58 58 GLY HA3 H 58 3.415 4.029 -0.614 1 1 557 . 20 1 1 A 58 58 GLY C C 58 174.610 174.399 0.211 1 1 558 . 20 1 1 A 58 58 GLY CA C 58 44.530 44.985 -0.455 1 1 559 . 20 1 1 A 58 58 GLY N N 58 112.180 110.500 1.680 1 1 560 . 20 1 1 A 59 59 ALA H H 59 8.171 7.662 0.509 1 1 561 . 20 1 1 A 59 59 ALA HA H 59 4.081 4.205 -0.124 1 1 565 . 20 1 1 A 59 59 ALA C C 59 175.220 176.032 -0.812 1 1 566 . 20 1 1 A 59 59 ALA CA C 59 53.170 52.295 0.875 1 1 567 . 20 1 1 A 59 59 ALA CB C 59 19.360 19.270 0.090 1 1 568 . 20 1 1 A 59 59 ALA N N 59 124.650 124.079 0.571 1 1 569 . 20 1 1 A 60 60 ARG H H 60 7.751 8.350 -0.599 1 1 570 . 20 1 1 A 60 60 ARG HA H 60 5.105 5.576 -0.471 1 1 575 . 20 1 1 A 60 60 ARG C C 60 175.320 174.414 0.906 1 1 576 . 20 1 1 A 60 60 ARG CA C 60 54.150 54.381 -0.231 1 1 577 . 20 1 1 A 60 60 ARG CB C 60 34.130 34.057 0.073 1 1 578 . 20 1 1 A 60 60 ARG N N 60 116.920 123.036 -6.116 1 1 579 . 20 1 1 A 61 61 PHE H H 61 9.213 9.013 0.200 1 1 580 . 20 1 1 A 61 61 PHE HA H 61 4.788 5.013 -0.225 1 1 587 . 20 1 1 A 61 61 PHE C C 61 173.930 174.462 -0.532 1 1 588 . 20 1 1 A 61 61 PHE CA C 61 56.500 56.833 -0.333 1 1 589 . 20 1 1 A 61 61 PHE CB C 61 41.860 43.610 -1.750 1 1 590 . 20 1 1 A 61 61 PHE N N 61 121.090 123.970 -2.880 1 1 591 . 20 1 1 A 62 62 LEU H H 62 8.638 8.961 -0.323 1 1 592 . 20 1 1 A 62 62 LEU HA H 62 4.566 4.936 -0.370 1 1 602 . 20 1 1 A 62 62 LEU C C 62 176.570 174.891 1.679 1 1 603 . 20 1 1 A 62 62 LEU CA C 62 55.130 54.179 0.951 1 1 604 . 20 1 1 A 62 62 LEU CB C 62 43.620 44.474 -0.854 1 1 605 . 20 1 1 A 62 62 LEU N N 62 125.630 125.062 0.568 1 1 606 . 20 1 1 A 63 63 LEU H H 63 8.929 9.820 -0.891 1 1 607 . 20 1 1 A 63 63 LEU HA H 63 4.852 4.890 -0.038 1 1 617 . 20 1 1 A 63 63 LEU C C 63 175.070 177.280 -2.210 1 1 618 . 20 1 1 A 63 63 LEU CA C 63 53.170 54.308 -1.138 1 1 619 . 20 1 1 A 63 63 LEU CB C 63 42.110 42.076 0.034 1 1 620 . 20 1 1 A 63 63 LEU N N 63 125.980 128.774 -2.794 1 1 621 . 20 1 1 A 64 64 ASP H H 64 8.601 8.816 -0.215 1 1 622 . 20 1 1 A 64 64 ASP HA H 64 4.736 5.088 -0.352 1 1 625 . 20 1 1 A 64 64 ASP C C 64 175.130 176.139 -1.009 1 1 626 . 20 1 1 A 64 64 ASP CA C 64 53.640 53.365 0.275 1 1 627 . 20 1 1 A 64 64 ASP CB C 64 41.020 41.936 -0.916 1 1 628 . 20 1 1 A 64 64 ASP N N 64 120.910 118.767 2.143 1 1 629 . 20 1 1 A 65 65 GLN H H 65 7.497 7.529 -0.032 1 1 630 . 20 1 1 A 65 65 GLN HA H 65 4.856 4.765 0.091 1 1 637 . 20 1 1 A 65 65 GLN C C 65 173.550 175.365 -1.815 1 1 638 . 20 1 1 A 65 65 GLN CA C 65 52.780 53.654 -0.874 1 1 639 . 20 1 1 A 65 65 GLN N N 65 117.420 115.557 1.863 1 1 641 . 20 1 1 A 66 66 PRO HA H 66 4.190 4.991 -0.801 1 1 648 . 20 1 1 A 66 66 PRO C C 66 177.400 176.577 0.823 1 1 649 . 20 1 1 A 66 66 PRO CA C 66 66.810 64.319 2.491 1 1 650 . 20 1 1 A 66 66 PRO CB C 66 32.370 32.072 0.298 1 1 651 . 20 1 1 A 67 67 THR H H 67 7.647 7.460 0.187 1 1 652 . 20 1 1 A 67 67 THR HA H 67 4.811 5.128 -0.317 1 1 657 . 20 1 1 A 67 67 THR C C 67 173.280 173.115 0.165 1 1 658 . 20 1 1 A 67 67 THR CA C 67 62.830 61.043 1.787 1 1 659 . 20 1 1 A 67 67 THR CB C 67 71.740 72.091 -0.351 1 1 660 . 20 1 1 A 67 67 THR N N 67 109.270 112.183 -2.913 1 1 661 . 20 1 1 A 68 68 THR H H 68 8.919 9.250 -0.331 1 1 662 . 20 1 1 A 68 68 THR HA H 68 4.968 4.981 -0.013 1 1 667 . 20 1 1 A 68 68 THR C C 68 175.090 173.015 2.075 1 1 668 . 20 1 1 A 68 68 THR CA C 68 61.820 61.625 0.195 1 1 669 . 20 1 1 A 68 68 THR CB C 68 70.730 71.294 -0.564 1 1 670 . 20 1 1 A 68 68 THR N N 68 125.610 122.223 3.387 1 1 671 . 20 1 1 A 69 69 THR H H 69 10.398 8.699 1.699 1 1 672 . 20 1 1 A 69 69 THR HA H 69 4.491 4.570 -0.079 1 1 677 . 20 1 1 A 69 69 THR C C 69 173.140 173.762 -0.622 1 1 678 . 20 1 1 A 69 69 THR CA C 69 61.790 61.725 0.065 1 1 679 . 20 1 1 A 69 69 THR CB C 69 70.820 70.101 0.719 1 1 680 . 20 1 1 A 69 69 THR N N 69 121.520 122.669 -1.149 1 1 681 . 20 1 1 A 70 70 ALA H H 70 8.722 8.545 0.177 1 1 682 . 20 1 1 A 70 70 ALA HA H 70 5.696 5.302 0.394 1 1 686 . 20 1 1 A 70 70 ALA C C 70 175.840 175.934 -0.094 1 1 687 . 20 1 1 A 70 70 ALA CA C 70 50.030 50.180 -0.150 1 1 688 . 20 1 1 A 70 70 ALA CB C 70 22.300 22.176 0.124 1 1 689 . 20 1 1 A 70 70 ALA N N 70 122.410 127.733 -5.323 1 1 690 . 20 1 1 A 71 71 GLY H H 71 8.430 7.741 0.689 1 1 691 . 20 1 1 A 71 71 GLY HA2 H 71 4.474 4.109 0.365 1 1 692 . 20 1 1 A 71 71 GLY HA3 H 71 3.903 4.194 -0.291 1 1 693 . 20 1 1 A 71 71 GLY C C 71 170.540 171.020 -0.480 1 1 694 . 20 1 1 A 71 71 GLY CA C 71 46.300 45.085 1.215 1 1 695 . 20 1 1 A 71 71 GLY N N 71 108.960 107.835 1.125 1 1 696 . 20 1 1 A 72 72 ARG H H 72 8.341 8.905 -0.564 1 1 697 . 20 1 1 A 72 72 ARG HA H 72 4.481 4.870 -0.389 1 1 702 . 20 1 1 A 72 72 ARG C C 72 175.720 174.829 0.891 1 1 703 . 20 1 1 A 72 72 ARG CA C 72 54.800 55.015 -0.215 1 1 704 . 20 1 1 A 72 72 ARG CB C 72 32.540 32.821 -0.281 1 1 705 . 20 1 1 A 72 72 ARG N N 72 120.930 121.445 -0.515 1 1 706 . 20 1 1 A 73 73 HIS H H 73 9.295 8.748 0.547 1 1 707 . 20 1 1 A 73 73 HIS HA H 73 4.403 4.962 -0.559 1 1 712 . 20 1 1 A 73 73 HIS C C 73 176.860 174.126 2.734 1 1 713 . 20 1 1 A 73 73 HIS CA C 73 57.050 55.158 1.892 1 1 714 . 20 1 1 A 73 73 HIS N N 73 125.290 124.409 0.881 1 1 715 . 20 1 1 A 74 74 PRO HA H 74 4.373 4.284 0.089 1 1 722 . 20 1 1 A 74 74 PRO C C 74 177.590 177.675 -0.085 1 1 723 . 20 1 1 A 74 74 PRO CA C 74 64.930 65.294 -0.364 1 1 724 . 20 1 1 A 74 74 PRO CB C 74 32.030 31.806 0.224 1 1 725 . 20 1 1 A 75 75 GLU H H 75 10.575 8.443 2.132 1 1 726 . 20 1 1 A 75 75 GLU HA H 75 4.352 4.290 0.062 1 1 731 . 20 1 1 A 75 75 GLU C C 75 177.320 175.971 1.349 1 1 732 . 20 1 1 A 75 75 GLU CA C 75 56.070 56.156 -0.086 1 1 733 . 20 1 1 A 75 75 GLU CB C 75 29.010 29.803 -0.793 1 1 734 . 20 1 1 A 75 75 GLU N N 75 119.840 117.115 2.725 1 1 735 . 20 1 1 A 76 76 SER H H 76 8.236 7.770 0.466 1 1 736 . 20 1 1 A 76 76 SER HA H 76 4.100 4.379 -0.279 1 1 739 . 20 1 1 A 76 76 SER C C 76 173.120 174.242 -1.122 1 1 740 . 20 1 1 A 76 76 SER CA C 76 60.160 56.991 3.169 1 1 741 . 20 1 1 A 76 76 SER CB C 76 65.530 63.726 1.804 1 1 742 . 20 1 1 A 76 76 SER N N 76 118.860 114.425 4.435 1 1 743 . 20 1 1 A 77 77 ASP H H 77 8.541 8.705 -0.164 1 1 744 . 20 1 1 A 77 77 ASP HA H 77 4.344 4.258 0.086 1 1 747 . 20 1 1 A 77 77 ASP C C 77 177.590 175.824 1.766 1 1 748 . 20 1 1 A 77 77 ASP CA C 77 58.380 56.790 1.590 1 1 749 . 20 1 1 A 77 77 ASP CB C 77 42.110 40.480 1.630 1 1 750 . 20 1 1 A 77 77 ASP N N 77 126.720 124.929 1.791 1 1 751 . 20 1 1 A 78 78 ILE H H 78 8.571 7.476 1.095 1 1 752 . 20 1 1 A 78 78 ILE HA H 78 3.563 4.385 -0.822 1 1 762 . 20 1 1 A 78 78 ILE C C 78 172.930 174.383 -1.453 1 1 763 . 20 1 1 A 78 78 ILE CA C 78 60.880 59.923 0.957 1 1 764 . 20 1 1 A 78 78 ILE CB C 78 37.410 39.755 -2.345 1 1 765 . 20 1 1 A 78 78 ILE N N 78 120.210 113.834 6.376 1 1 766 . 20 1 1 A 79 79 PHE H H 79 8.018 9.153 -1.135 1 1 767 . 20 1 1 A 79 79 PHE HA H 79 5.018 4.969 0.049 1 1 775 . 20 1 1 A 79 79 PHE C C 79 174.130 173.887 0.243 1 1 776 . 20 1 1 A 79 79 PHE CA C 79 55.780 56.268 -0.488 1 1 777 . 20 1 1 A 79 79 PHE CB C 79 39.170 40.414 -1.244 1 1 778 . 20 1 1 A 79 79 PHE N N 79 127.300 126.823 0.477 1 1 779 . 20 1 1 A 80 80 LEU H H 80 7.695 9.113 -1.418 1 1 780 . 20 1 1 A 80 80 LEU HA H 80 3.619 4.623 -1.004 1 1 790 . 20 1 1 A 80 80 LEU C C 80 173.720 174.297 -0.577 1 1 791 . 20 1 1 A 80 80 LEU CA C 80 52.340 53.016 -0.676 1 1 792 . 20 1 1 A 80 80 LEU CB C 80 41.770 42.826 -1.056 1 1 793 . 20 1 1 A 80 80 LEU N N 80 131.810 128.423 3.387 1 1 794 . 20 1 1 A 81 81 ASP H H 81 7.974 9.077 -1.103 1 1 795 . 20 1 1 A 81 81 ASP HA H 81 4.141 5.488 -1.347 1 1 798 . 20 1 1 A 81 81 ASP C C 81 175.130 174.418 0.712 1 1 799 . 20 1 1 A 81 81 ASP CA C 81 53.210 52.746 0.464 1 1 800 . 20 1 1 A 81 81 ASP CB C 81 39.930 44.540 -4.610 1 1 801 . 20 1 1 A 81 81 ASP N N 81 121.130 126.031 -4.901 1 1 802 . 20 1 1 A 82 82 ASP H H 82 7.583 8.568 -0.985 1 1 803 . 20 1 1 A 82 82 ASP HA H 82 4.859 4.951 -0.092 1 1 806 . 20 1 1 A 82 82 ASP C C 82 176.760 174.996 1.764 1 1 807 . 20 1 1 A 82 82 ASP CA C 82 54.980 52.985 1.995 1 1 808 . 20 1 1 A 82 82 ASP CB C 82 39.170 43.626 -4.456 1 1 809 . 20 1 1 A 82 82 ASP N N 82 121.540 123.192 -1.652 1 1 810 . 20 1 1 A 83 83 VAL H H 83 8.344 8.360 -0.016 1 1 811 . 20 1 1 A 83 83 VAL HA H 83 4.012 3.608 0.404 1 1 819 . 20 1 1 A 83 83 VAL C C 83 174.860 176.269 -1.409 1 1 820 . 20 1 1 A 83 83 VAL CA C 83 65.330 65.570 -0.240 1 1 821 . 20 1 1 A 83 83 VAL CB C 83 31.530 31.779 -0.249 1 1 822 . 20 1 1 A 83 83 VAL N N 83 122.260 121.018 1.242 1 1 823 . 20 1 1 A 84 84 THR H H 84 8.268 7.670 0.598 1 1 824 . 20 1 1 A 84 84 THR HA H 84 4.540 4.188 0.352 1 1 828 . 20 1 1 A 84 84 THR C C 84 175.360 173.724 1.636 1 1 829 . 20 1 1 A 84 84 THR CA C 84 63.810 61.734 2.076 1 1 830 . 20 1 1 A 84 84 THR CB C 84 70.900 66.898 4.002 1 1 831 . 20 1 1 A 84 84 THR N N 84 110.620 116.009 -5.389 1 1 832 . 20 1 1 A 85 85 VAL H H 85 8.579 8.805 -0.226 1 1 833 . 20 1 1 A 85 85 VAL HA H 85 4.254 4.689 -0.435 1 1 841 . 20 1 1 A 85 85 VAL C C 85 177.070 175.430 1.640 1 1 842 . 20 1 1 A 85 85 VAL CA C 85 61.930 61.380 0.550 1 1 843 . 20 1 1 A 85 85 VAL CB C 85 32.450 32.185 0.265 1 1 844 . 20 1 1 A 85 85 VAL N N 85 126.860 128.684 -1.824 1 1 845 . 20 1 1 A 86 86 SER H H 86 11.668 8.824 2.844 1 1 846 . 20 1 1 A 86 86 SER HA H 86 5.203 4.976 0.227 1 1 849 . 20 1 1 A 86 86 SER C C 86 175.470 174.417 1.053 1 1 850 . 20 1 1 A 86 86 SER CA C 86 61.600 57.786 3.814 1 1 851 . 20 1 1 A 86 86 SER CB C 86 64.270 66.913 -2.643 1 1 852 . 20 1 1 A 86 86 SER N N 86 128.670 122.969 5.701 1 1 853 . 20 1 1 A 87 87 ARG H H 87 10.946 8.194 2.752 1 1 854 . 20 1 1 A 87 87 ARG HA H 87 5.179 4.787 0.392 1 1 862 . 20 1 1 A 87 87 ARG C C 87 177.110 176.141 0.969 1 1 863 . 20 1 1 A 87 87 ARG CA C 87 60.810 58.119 2.691 1 1 864 . 20 1 1 A 87 87 ARG CB C 87 29.010 29.955 -0.945 1 1 865 . 20 1 1 A 87 87 ARG N N 87 126.810 123.317 3.493 1 1 867 . 20 1 1 A 88 88 ARG H H 88 7.946 7.787 0.159 1 1 868 . 20 1 1 A 88 88 ARG HA H 88 4.459 4.779 -0.320 1 1 876 . 20 1 1 A 88 88 ARG C C 88 172.990 175.769 -2.779 1 1 877 . 20 1 1 A 88 88 ARG CA C 88 55.060 54.457 0.603 1 1 878 . 20 1 1 A 88 88 ARG CB C 88 29.770 33.324 -3.554 1 1 879 . 20 1 1 A 88 88 ARG N N 88 115.670 119.054 -3.384 1 1 881 . 20 1 1 A 89 89 HIS H H 89 7.613 9.184 -1.571 1 1 882 . 20 1 1 A 89 89 HIS HA H 89 4.437 4.560 -0.123 1 1 888 . 20 1 1 A 89 89 HIS C C 89 174.050 175.019 -0.969 1 1 889 . 20 1 1 A 89 89 HIS CA C 89 58.420 57.944 0.476 1 1 890 . 20 1 1 A 89 89 HIS CB C 89 32.620 31.805 0.815 1 1 891 . 20 1 1 A 89 89 HIS N N 89 124.000 124.963 -0.963 1 1 893 . 20 1 1 A 90 90 ALA H H 90 8.454 7.196 1.258 1 1 894 . 20 1 1 A 90 90 ALA HA H 90 5.529 4.438 1.091 1 1 898 . 20 1 1 A 90 90 ALA C C 90 176.260 174.683 1.577 1 1 899 . 20 1 1 A 90 90 ALA CA C 90 50.240 51.367 -1.127 1 1 900 . 20 1 1 A 90 90 ALA CB C 90 23.220 22.665 0.555 1 1 901 . 20 1 1 A 90 90 ALA N N 90 116.480 118.056 -1.576 1 1 902 . 20 1 1 A 91 91 GLU H H 91 9.216 8.933 0.283 1 1 903 . 20 1 1 A 91 91 GLU HA H 91 4.931 4.757 0.174 1 1 908 . 20 1 1 A 91 91 GLU C C 91 173.910 174.621 -0.711 1 1 909 . 20 1 1 A 91 91 GLU CA C 91 54.690 54.667 0.023 1 1 910 . 20 1 1 A 91 91 GLU CB C 91 34.720 33.243 1.477 1 1 911 . 20 1 1 A 91 91 GLU N N 91 118.140 117.131 1.009 1 1 912 . 20 1 1 A 92 92 PHE H H 92 9.330 9.117 0.213 1 1 913 . 20 1 1 A 92 92 PHE HA H 92 5.502 5.293 0.209 1 1 921 . 20 1 1 A 92 92 PHE C C 92 176.650 175.045 1.605 1 1 922 . 20 1 1 A 92 92 PHE CA C 92 56.760 56.633 0.127 1 1 923 . 20 1 1 A 92 92 PHE CB C 92 41.690 41.079 0.611 1 1 924 . 20 1 1 A 92 92 PHE N N 92 119.490 121.428 -1.938 1 1 925 . 20 1 1 A 93 93 ARG H H 93 9.846 9.349 0.497 1 1 926 . 20 1 1 A 93 93 ARG HA H 93 5.610 5.309 0.301 1 1 934 . 20 1 1 A 93 93 ARG C C 93 175.010 175.054 -0.044 1 1 935 . 20 1 1 A 93 93 ARG CA C 93 54.580 54.788 -0.208 1 1 936 . 20 1 1 A 93 93 ARG CB C 93 34.220 33.208 1.012 1 1 937 . 20 1 1 A 93 93 ARG N N 93 127.300 122.420 4.880 1 1 939 . 20 1 1 A 94 94 ILE H H 94 8.521 9.069 -0.548 1 1 940 . 20 1 1 A 94 94 ILE HA H 94 4.410 4.914 -0.504 1 1 950 . 20 1 1 A 94 94 ILE C C 94 176.420 174.681 1.739 1 1 951 . 20 1 1 A 94 94 ILE CA C 94 61.130 60.360 0.770 1 1 952 . 20 1 1 A 94 94 ILE CB C 94 38.830 39.182 -0.352 1 1 953 . 20 1 1 A 94 94 ILE N N 94 121.680 124.564 -2.884 1 1 954 . 20 1 1 A 95 95 ASN H H 95 8.847 9.036 -0.189 1 1 955 . 20 1 1 A 95 95 ASN HA H 95 4.796 5.007 -0.211 1 1 960 . 20 1 1 A 95 95 ASN C C 95 174.430 174.178 0.252 1 1 961 . 20 1 1 A 95 95 ASN CA C 95 52.560 52.745 -0.185 1 1 962 . 20 1 1 A 95 95 ASN CB C 95 40.510 40.833 -0.323 1 1 963 . 20 1 1 A 95 95 ASN N N 95 127.100 124.889 2.211 1 1 965 . 20 1 1 A 96 96 GLU H H 96 9.303 9.423 -0.120 1 1 966 . 20 1 1 A 96 96 GLU HA H 96 3.768 4.011 -0.243 1 1 971 . 20 1 1 A 96 96 GLU C C 96 176.280 176.437 -0.157 1 1 972 . 20 1 1 A 96 96 GLU CA C 96 57.150 57.530 -0.380 1 1 973 . 20 1 1 A 96 96 GLU CB C 96 27.590 27.975 -0.385 1 1 974 . 20 1 1 A 96 96 GLU N N 96 125.150 126.937 -1.787 1 1 975 . 20 1 1 A 97 97 GLY H H 97 7.937 8.510 -0.573 1 1 976 . 20 1 1 A 97 97 GLY HA2 H 97 4.042 3.640 0.402 1 1 977 . 20 1 1 A 97 97 GLY HA3 H 97 3.450 3.753 -0.303 1 1 978 . 20 1 1 A 97 97 GLY C C 97 172.990 173.442 -0.452 1 1 979 . 20 1 1 A 97 97 GLY CA C 97 45.390 45.176 0.214 1 1 980 . 20 1 1 A 97 97 GLY N N 97 104.330 104.383 -0.053 1 1 981 . 20 1 1 A 98 98 GLU H H 98 7.557 7.874 -0.317 1 1 982 . 20 1 1 A 98 98 GLU HA H 98 4.591 4.565 0.026 1 1 987 . 20 1 1 A 98 98 GLU C C 98 174.530 175.603 -1.073 1 1 988 . 20 1 1 A 98 98 GLU CA C 98 54.770 55.023 -0.253 1 1 989 . 20 1 1 A 98 98 GLU CB C 98 32.290 31.815 0.475 1 1 990 . 20 1 1 A 98 98 GLU N N 98 119.350 120.146 -0.796 1 1 991 . 20 1 1 A 99 99 PHE H H 99 9.412 9.077 0.335 1 1 992 . 20 1 1 A 99 99 PHE HA H 99 5.007 5.114 -0.107 1 1 999 . 20 1 1 A 99 99 PHE C C 99 174.050 175.132 -1.082 1 1 1000 . 20 1 1 A 99 99 PHE CA C 99 57.260 56.887 0.373 1 1 1001 . 20 1 1 A 99 99 PHE CB C 99 42.110 40.526 1.584 1 1 1002 . 20 1 1 A 99 99 PHE N N 99 122.550 122.186 0.364 1 1 1003 . 20 1 1 A 100 100 GLU H H 100 9.444 9.528 -0.084 1 1 1004 . 20 1 1 A 100 100 GLU HA H 100 5.145 5.282 -0.137 1 1 1009 . 20 1 1 A 100 100 GLU C C 100 175.340 174.985 0.355 1 1 1010 . 20 1 1 A 100 100 GLU CA C 100 54.080 54.743 -0.663 1 1 1011 . 20 1 1 A 100 100 GLU CB C 100 34.720 32.463 2.257 1 1 1012 . 20 1 1 A 100 100 GLU N N 100 124.080 120.770 3.310 1 1 1013 . 20 1 1 A 101 101 VAL H H 101 8.726 9.438 -0.712 1 1 1014 . 20 1 1 A 101 101 VAL HA H 101 4.900 4.909 -0.009 1 1 1022 . 20 1 1 A 101 101 VAL C C 101 172.510 174.901 -2.391 1 1 1023 . 20 1 1 A 101 101 VAL CA C 101 58.710 61.465 -2.755 1 1 1024 . 20 1 1 A 101 101 VAL CB C 101 33.550 33.386 0.164 1 1 1025 . 20 1 1 A 101 101 VAL N N 101 124.500 125.149 -0.649 1 1 1026 . 20 1 1 A 102 102 VAL H H 102 8.719 9.510 -0.791 1 1 1027 . 20 1 1 A 102 102 VAL HA H 102 4.578 4.617 -0.039 1 1 1035 . 20 1 1 A 102 102 VAL C C 102 175.380 174.743 0.637 1 1 1036 . 20 1 1 A 102 102 VAL CA C 102 60.370 60.768 -0.398 1 1 1037 . 20 1 1 A 102 102 VAL CB C 102 36.060 34.772 1.288 1 1 1038 . 20 1 1 A 102 102 VAL N N 102 125.900 128.063 -2.163 1 1 1039 . 20 1 1 A 103 103 ASP H H 103 8.626 9.067 -0.441 1 1 1040 . 20 1 1 A 103 103 ASP HA H 103 4.856 4.613 0.243 1 1 1043 . 20 1 1 A 103 103 ASP C C 103 177.300 177.421 -0.121 1 1 1044 . 20 1 1 A 103 103 ASP CA C 103 54.580 54.496 0.084 1 1 1045 . 20 1 1 A 103 103 ASP CB C 103 44.210 42.115 2.095 1 1 1046 . 20 1 1 A 103 103 ASP N N 103 127.250 127.265 -0.015 1 1 1047 . 20 1 1 A 104 104 VAL H H 104 7.890 8.355 -0.465 1 1 1048 . 20 1 1 A 104 104 VAL HA H 104 4.527 4.389 0.138 1 1 1056 . 20 1 1 A 104 104 VAL C C 104 174.490 175.988 -1.498 1 1 1057 . 20 1 1 A 104 104 VAL CA C 104 60.630 61.934 -1.304 1 1 1058 . 20 1 1 A 104 104 VAL CB C 104 29.350 32.689 -3.339 1 1 1059 . 20 1 1 A 104 104 VAL N N 104 119.270 121.005 -1.735 1 1 1060 . 20 1 1 A 105 105 GLY H H 105 8.690 7.263 1.427 1 1 1061 . 20 1 1 A 105 105 GLY HA2 H 105 4.270 3.998 0.272 1 1 1062 . 20 1 1 A 105 105 GLY HA3 H 105 3.685 4.002 -0.317 1 1 1063 . 20 1 1 A 105 105 GLY C C 105 175.490 174.043 1.447 1 1 1064 . 20 1 1 A 105 105 GLY CA C 105 45.650 45.522 0.128 1 1 1065 . 20 1 1 A 105 105 GLY N N 105 111.790 110.072 1.718 1 1 1066 . 20 1 1 A 106 106 SER H H 106 9.218 9.111 0.107 1 1 1067 . 20 1 1 A 106 106 SER HA H 106 3.894 4.157 -0.263 1 1 1070 . 20 1 1 A 106 106 SER C C 106 174.590 174.991 -0.401 1 1 1071 . 20 1 1 A 106 106 SER CA C 106 58.600 59.609 -1.009 1 1 1072 . 20 1 1 A 106 106 SER CB C 106 61.250 62.632 -1.382 1 1 1073 . 20 1 1 A 106 106 SER N N 106 121.540 120.966 0.574 1 1 1074 . 20 1 1 A 107 107 LEU H H 107 8.018 7.687 0.331 1 1 1075 . 20 1 1 A 107 107 LEU HA H 107 4.240 3.998 0.242 1 1 1085 . 20 1 1 A 107 107 LEU C C 107 179.420 178.335 1.085 1 1 1086 . 20 1 1 A 107 107 LEU CA C 107 57.590 57.638 -0.048 1 1 1087 . 20 1 1 A 107 107 LEU CB C 107 42.360 41.318 1.042 1 1 1088 . 20 1 1 A 107 107 LEU N N 107 121.520 122.031 -0.511 1 1 1089 . 20 1 1 A 108 108 ASN H H 108 8.799 7.421 1.378 1 1 1090 . 20 1 1 A 108 108 ASN HA H 108 4.986 3.882 1.104 1 1 1093 . 20 1 1 A 108 108 ASN C C 108 175.950 175.547 0.403 1 1 1094 . 20 1 1 A 108 108 ASN CA C 108 54.440 52.099 2.341 1 1 1095 . 20 1 1 A 108 108 ASN CB C 108 41.180 38.873 2.307 1 1 1096 . 20 1 1 A 108 108 ASN N N 108 111.800 113.031 -1.231 1 1 1097 . 20 1 1 A 109 109 GLY H H 109 8.025 7.732 0.293 1 1 1098 . 20 1 1 A 109 109 GLY HA2 H 109 4.237 3.555 0.682 1 1 1099 . 20 1 1 A 109 109 GLY HA3 H 109 3.621 3.650 -0.029 1 1 1100 . 20 1 1 A 109 109 GLY C C 109 173.820 174.133 -0.313 1 1 1101 . 20 1 1 A 109 109 GLY CA C 109 44.340 45.953 -1.613 1 1 1102 . 20 1 1 A 109 109 GLY N N 109 110.600 108.460 2.140 1 1 1103 . 20 1 1 A 110 110 THR H H 110 8.770 7.689 1.081 1 1 1104 . 20 1 1 A 110 110 THR HA H 110 4.797 4.065 0.732 1 1 1109 . 20 1 1 A 110 110 THR C C 110 172.570 173.449 -0.879 1 1 1110 . 20 1 1 A 110 110 THR CA C 110 64.540 63.036 1.504 1 1 1111 . 20 1 1 A 110 110 THR CB C 110 70.230 68.849 1.381 1 1 1112 . 20 1 1 A 110 110 THR N N 110 121.240 116.188 5.052 1 1 1113 . 20 1 1 A 111 111 TYR H H 111 8.272 8.971 -0.699 1 1 1114 . 20 1 1 A 111 111 TYR HA H 111 5.155 5.520 -0.365 1 1 1121 . 20 1 1 A 111 111 TYR C C 111 175.860 175.071 0.789 1 1 1122 . 20 1 1 A 111 111 TYR CA C 111 55.820 56.651 -0.831 1 1 1123 . 20 1 1 A 111 111 TYR CB C 111 41.100 40.423 0.677 1 1 1124 . 20 1 1 A 111 111 TYR N N 111 123.680 126.770 -3.090 1 1 1125 . 20 1 1 A 112 112 VAL H H 112 9.017 9.334 -0.317 1 1 1126 . 20 1 1 A 112 112 VAL HA H 112 4.951 4.601 0.350 1 1 1134 . 20 1 1 A 112 112 VAL C C 112 176.780 176.313 0.467 1 1 1135 . 20 1 1 A 112 112 VAL CA C 112 61.130 61.032 0.098 1 1 1136 . 20 1 1 A 112 112 VAL CB C 112 32.870 34.580 -1.710 1 1 1137 . 20 1 1 A 112 112 VAL N N 112 121.300 123.501 -2.201 1 1 1138 . 20 1 1 A 113 113 ASN H H 113 10.285 9.809 0.476 1 1 1139 . 20 1 1 A 113 113 ASN HA H 113 4.483 4.337 0.146 1 1 1144 . 20 1 1 A 113 113 ASN C C 113 174.590 174.307 0.283 1 1 1145 . 20 1 1 A 113 113 ASN CA C 113 55.160 54.416 0.744 1 1 1146 . 20 1 1 A 113 113 ASN CB C 113 37.240 37.108 0.132 1 1 1147 . 20 1 1 A 113 113 ASN N N 113 129.510 127.642 1.868 1 1 1149 . 20 1 1 A 114 114 ARG H H 114 9.459 8.494 0.965 1 1 1150 . 20 1 1 A 114 114 ARG HA H 114 3.659 3.913 -0.254 1 1 1158 . 20 1 1 A 114 114 ARG C C 114 174.900 174.345 0.555 1 1 1159 . 20 1 1 A 114 114 ARG CA C 114 58.280 57.664 0.616 1 1 1160 . 20 1 1 A 114 114 ARG CB C 114 27.250 27.520 -0.270 1 1 1161 . 20 1 1 A 114 114 ARG N N 114 106.570 110.708 -4.138 1 1 1163 . 20 1 1 A 115 115 GLU H H 115 7.827 7.755 0.072 1 1 1164 . 20 1 1 A 115 115 GLU HA H 115 5.153 4.816 0.337 1 1 1169 . 20 1 1 A 115 115 GLU C C 115 173.950 174.146 -0.196 1 1 1170 . 20 1 1 A 115 115 GLU CA C 115 52.990 53.213 -0.223 1 1 1171 . 20 1 1 A 115 115 GLU N N 115 119.780 118.008 1.772 1 1 1172 . 20 1 1 A 116 116 PRO HA H 116 3.983 4.817 -0.834 1 1 1177 . 20 1 1 A 116 116 PRO C C 116 177.780 175.414 2.366 1 1 1178 . 20 1 1 A 116 116 PRO CA C 116 62.910 63.485 -0.575 1 1 1179 . 20 1 1 A 116 116 PRO CB C 116 31.200 31.972 -0.772 1 1 1180 . 20 1 1 A 117 117 ARG H H 117 8.414 8.936 -0.522 1 1 1181 . 20 1 1 A 117 117 ARG HA H 117 4.699 4.746 -0.047 1 1 1189 . 20 1 1 A 117 117 ARG C C 117 175.260 175.019 0.241 1 1 1190 . 20 1 1 A 117 117 ARG CA C 117 52.990 55.060 -2.070 1 1 1191 . 20 1 1 A 117 117 ARG CB C 117 24.560 33.848 -9.288 1 1 1192 . 20 1 1 A 117 117 ARG N N 117 121.900 123.434 -1.534 1 1 1194 . 20 1 1 A 118 118 ASN H H 118 8.741 8.753 -0.012 1 1 1195 . 20 1 1 A 118 118 ASN HA H 118 4.731 4.932 -0.201 1 1 1200 . 20 1 1 A 118 118 ASN C C 118 175.220 175.313 -0.093 1 1 1201 . 20 1 1 A 118 118 ASN CA C 118 55.090 54.547 0.543 1 1 1202 . 20 1 1 A 118 118 ASN CB C 118 38.920 40.760 -1.840 1 1 1203 . 20 1 1 A 118 118 ASN N N 118 120.190 121.475 -1.285 1 1 1205 . 20 1 1 A 119 119 ALA H H 119 7.372 7.604 -0.232 1 1 1206 . 20 1 1 A 119 119 ALA HA H 119 5.319 5.043 0.276 1 1 1210 . 20 1 1 A 119 119 ALA C C 119 176.720 175.185 1.535 1 1 1211 . 20 1 1 A 119 119 ALA CA C 119 52.120 51.654 0.466 1 1 1212 . 20 1 1 A 119 119 ALA CB C 119 21.460 22.192 -0.732 1 1 1213 . 20 1 1 A 119 119 ALA N N 119 120.380 117.731 2.649 1 1 1214 . 20 1 1 A 120 120 GLN H H 120 8.787 8.884 -0.097 1 1 1215 . 20 1 1 A 120 120 GLN HA H 120 4.505 4.664 -0.159 1 1 1222 . 20 1 1 A 120 120 GLN C C 120 174.380 173.989 0.391 1 1 1223 . 20 1 1 A 120 120 GLN CA C 120 56.030 55.148 0.882 1 1 1224 . 20 1 1 A 120 120 GLN CB C 120 32.790 32.829 -0.039 1 1 1225 . 20 1 1 A 120 120 GLN N N 120 121.180 121.669 -0.489 1 1 1227 . 20 1 1 A 121 121 VAL H H 121 8.692 8.714 -0.022 1 1 1228 . 20 1 1 A 121 121 VAL HA H 121 4.258 4.383 -0.125 1 1 1236 . 20 1 1 A 121 121 VAL C C 121 176.510 175.001 1.509 1 1 1237 . 20 1 1 A 121 121 VAL CA C 121 64.140 62.548 1.592 1 1 1238 . 20 1 1 A 121 121 VAL CB C 121 31.700 32.139 -0.439 1 1 1239 . 20 1 1 A 121 121 VAL N N 121 129.930 127.044 2.886 1 1 1240 . 20 1 1 A 122 122 MET H H 122 8.924 9.364 -0.440 1 1 1241 . 20 1 1 A 122 122 MET HA H 122 4.419 4.729 -0.310 1 1 1249 . 20 1 1 A 122 122 MET C C 122 174.380 174.987 -0.607 1 1 1250 . 20 1 1 A 122 122 MET CA C 122 55.740 54.415 1.325 1 1 1251 . 20 1 1 A 122 122 MET CB C 122 35.140 33.864 1.276 1 1 1252 . 20 1 1 A 122 122 MET N N 122 129.560 127.241 2.319 1 1 1253 . 20 1 1 A 123 123 GLN H H 123 9.002 8.516 0.486 1 1 1254 . 20 1 1 A 123 123 GLN HA H 123 4.823 4.794 0.029 1 1 1261 . 20 1 1 A 123 123 GLN C C 123 175.530 175.672 -0.142 1 1 1262 . 20 1 1 A 123 123 GLN CA C 123 53.570 54.233 -0.663 1 1 1263 . 20 1 1 A 123 123 GLN CB C 123 32.290 30.458 1.832 1 1 1264 . 20 1 1 A 123 123 GLN N N 123 119.810 125.020 -5.210 1 1 1266 . 20 1 1 A 124 124 THR H H 124 9.036 8.598 0.438 1 1 1267 . 20 1 1 A 124 124 THR HA H 124 4.208 4.175 0.033 1 1 1272 . 20 1 1 A 124 124 THR C C 124 175.300 175.601 -0.301 1 1 1273 . 20 1 1 A 124 124 THR CA C 124 65.510 63.825 1.685 1 1 1274 . 20 1 1 A 124 124 THR CB C 124 69.560 68.662 0.898 1 1 1275 . 20 1 1 A 124 124 THR N N 124 119.570 116.895 2.675 1 1 1276 . 20 1 1 A 125 125 GLY H H 125 9.921 9.428 0.493 1 1 1277 . 20 1 1 A 125 125 GLY HA2 H 125 4.552 3.990 0.562 1 1 1278 . 20 1 1 A 125 125 GLY HA3 H 125 3.480 4.001 -0.521 1 1 1279 . 20 1 1 A 125 125 GLY C C 125 174.650 174.239 0.411 1 1 1280 . 20 1 1 A 125 125 GLY CA C 125 44.710 44.999 -0.289 1 1 1281 . 20 1 1 A 125 125 GLY N N 125 117.920 117.192 0.728 1 1 1282 . 20 1 1 A 126 126 ASP H H 126 8.638 8.025 0.613 1 1 1283 . 20 1 1 A 126 126 ASP HA H 126 4.876 4.628 0.248 1 1 1286 . 20 1 1 A 126 126 ASP C C 126 174.650 175.681 -1.031 1 1 1287 . 20 1 1 A 126 126 ASP CA C 126 56.140 54.287 1.853 1 1 1288 . 20 1 1 A 126 126 ASP CB C 126 41.690 41.990 -0.300 1 1 1289 . 20 1 1 A 126 126 ASP N N 126 123.190 122.458 0.732 1 1 1290 . 20 1 1 A 127 127 GLU H H 127 8.316 8.915 -0.599 1 1 1291 . 20 1 1 A 127 127 GLU HA H 127 5.341 5.185 0.156 1 1 1296 . 20 1 1 A 127 127 GLU C C 127 175.990 175.193 0.797 1 1 1297 . 20 1 1 A 127 127 GLU CA C 127 54.440 54.823 -0.383 1 1 1298 . 20 1 1 A 127 127 GLU CB C 127 32.790 32.353 0.437 1 1 1299 . 20 1 1 A 127 127 GLU N N 127 118.480 123.671 -5.191 1 1 1300 . 20 1 1 A 128 128 ILE H H 128 9.910 9.365 0.545 1 1 1301 . 20 1 1 A 128 128 ILE HA H 128 5.334 5.020 0.314 1 1 1311 . 20 1 1 A 128 128 ILE C C 128 174.700 174.259 0.441 1 1 1312 . 20 1 1 A 128 128 ILE CA C 128 59.470 60.064 -0.594 1 1 1313 . 20 1 1 A 128 128 ILE CB C 128 40.600 39.796 0.804 1 1 1314 . 20 1 1 A 128 128 ILE N N 128 128.810 125.183 3.627 1 1 1315 . 20 1 1 A 129 129 GLN H H 129 9.502 9.581 -0.079 1 1 1316 . 20 1 1 A 129 129 GLN HA H 129 5.406 5.568 -0.162 1 1 1323 . 20 1 1 A 129 129 GLN C C 129 174.950 174.708 0.242 1 1 1324 . 20 1 1 A 129 129 GLN CA C 129 54.800 54.234 0.566 1 1 1325 . 20 1 1 A 129 129 GLN CB C 129 30.690 32.124 -1.434 1 1 1326 . 20 1 1 A 129 129 GLN N N 129 129.270 128.115 1.155 1 1 1328 . 20 1 1 A 130 130 ILE H H 130 8.498 9.011 -0.513 1 1 1329 . 20 1 1 A 130 130 ILE HA H 130 4.116 4.542 -0.426 1 1 1339 . 20 1 1 A 130 130 ILE C C 130 174.860 176.370 -1.510 1 1 1340 . 20 1 1 A 130 130 ILE CA C 130 60.740 60.090 0.650 1 1 1341 . 20 1 1 A 130 130 ILE CB C 130 41.440 38.518 2.922 1 1 1342 . 20 1 1 A 130 130 ILE N N 130 129.070 128.114 0.956 1 1 1343 . 20 1 1 A 131 131 GLY H H 131 9.924 9.235 0.689 1 1 1344 . 20 1 1 A 131 131 GLY HA2 H 131 3.768 4.067 -0.299 1 1 1345 . 20 1 1 A 131 131 GLY HA3 H 131 3.337 4.167 -0.830 1 1 1346 . 20 1 1 A 131 131 GLY C C 131 174.590 174.952 -0.362 1 1 1347 . 20 1 1 A 131 131 GLY CA C 131 46.700 47.606 -0.906 1 1 1348 . 20 1 1 A 131 131 GLY N N 131 116.470 118.494 -2.024 1 1 1349 . 20 1 1 A 132 132 LYS H H 132 7.141 8.716 -1.575 1 1 1350 . 20 1 1 A 132 132 LYS HA H 132 3.750 4.422 -0.672 1 1 1357 . 20 1 1 A 132 132 LYS C C 132 175.820 176.380 -0.560 1 1 1358 . 20 1 1 A 132 132 LYS CA C 132 57.550 56.826 0.724 1 1 1359 . 20 1 1 A 132 132 LYS CB C 132 33.300 32.534 0.766 1 1 1360 . 20 1 1 A 132 132 LYS N N 132 122.960 125.783 -2.823 1 1 1361 . 20 1 1 A 133 133 PHE H H 133 8.360 8.145 0.215 1 1 1362 . 20 1 1 A 133 133 PHE HA H 133 4.601 4.791 -0.190 1 1 1370 . 20 1 1 A 133 133 PHE C C 133 174.910 175.100 -0.190 1 1 1371 . 20 1 1 A 133 133 PHE CA C 133 58.600 59.169 -0.569 1 1 1372 . 20 1 1 A 133 133 PHE CB C 133 40.510 40.215 0.295 1 1 1373 . 20 1 1 A 133 133 PHE N N 133 118.170 121.570 -3.400 1 1 1374 . 20 1 1 A 134 134 ARG H H 134 8.698 8.834 -0.136 1 1 1375 . 20 1 1 A 134 134 ARG HA H 134 5.212 4.971 0.241 1 1 1383 . 20 1 1 A 134 134 ARG C C 134 175.150 174.900 0.250 1 1 1384 . 20 1 1 A 134 134 ARG CA C 134 55.060 54.825 0.235 1 1 1385 . 20 1 1 A 134 134 ARG CB C 134 33.550 32.746 0.804 1 1 1386 . 20 1 1 A 134 134 ARG N N 134 120.770 124.440 -3.670 1 1 1388 . 20 1 1 A 135 135 LEU H H 135 9.904 9.611 0.293 1 1 1389 . 20 1 1 A 135 135 LEU HA H 135 5.544 5.402 0.142 1 1 1399 . 20 1 1 A 135 135 LEU C C 135 175.260 175.728 -0.468 1 1 1400 . 20 1 1 A 135 135 LEU CA C 135 53.930 53.518 0.412 1 1 1401 . 20 1 1 A 135 135 LEU CB C 135 45.550 44.913 0.637 1 1 1402 . 20 1 1 A 135 135 LEU N N 135 127.130 128.225 -1.095 1 1 1403 . 20 1 1 A 136 136 VAL H H 136 9.350 9.412 -0.062 1 1 1404 . 20 1 1 A 136 136 VAL HA H 136 5.226 4.893 0.333 1 1 1412 . 20 1 1 A 136 136 VAL C C 136 174.050 173.916 0.134 1 1 1413 . 20 1 1 A 136 136 VAL CA C 136 60.520 60.553 -0.033 1 1 1414 . 20 1 1 A 136 136 VAL CB C 136 34.890 34.310 0.580 1 1 1415 . 20 1 1 A 136 136 VAL N N 136 121.300 123.423 -2.123 1 1 1416 . 20 1 1 A 137 137 PHE H H 137 8.492 9.299 -0.807 1 1 1417 . 20 1 1 A 137 137 PHE HA H 137 5.007 5.228 -0.221 1 1 1424 . 20 1 1 A 137 137 PHE C C 137 173.340 173.769 -0.429 1 1 1425 . 20 1 1 A 137 137 PHE CA C 137 57.010 55.943 1.067 1 1 1426 . 20 1 1 A 137 137 PHE CB C 137 41.770 41.345 0.425 1 1 1427 . 20 1 1 A 137 137 PHE N N 137 127.550 128.408 -0.858 1 1 1428 . 20 1 1 A 138 138 LEU H H 138 8.535 8.950 -0.415 1 1 1429 . 20 1 1 A 138 138 LEU HA H 138 4.345 4.619 -0.274 1 1 1439 . 20 1 1 A 138 138 LEU C C 138 173.390 175.247 -1.857 1 1 1440 . 20 1 1 A 138 138 LEU CA C 138 53.680 53.119 0.561 1 1 1441 . 20 1 1 A 138 138 LEU CB C 138 45.210 45.497 -0.287 1 1 1442 . 20 1 1 A 138 138 LEU N N 138 128.590 127.948 0.642 1 1 1443 . 20 1 1 A 139 139 ALA H H 139 7.502 8.695 -1.193 1 1 1444 . 20 1 1 A 139 139 ALA HA H 139 3.952 4.319 -0.367 1 1 1448 . 20 1 1 A 139 139 ALA C C 139 178.010 177.890 0.120 1 1 1449 . 20 1 1 A 139 139 ALA CA C 139 51.650 52.657 -1.007 1 1 1450 . 20 1 1 A 139 139 ALA CB C 139 20.700 19.036 1.664 1 1 1451 . 20 1 1 A 139 139 ALA N N 139 123.250 127.665 -4.415 1 1 1452 . 20 1 1 A 140 140 GLY H H 140 7.968 8.152 -0.184 1 1 1453 . 20 1 1 A 140 140 GLY HA2 H 140 4.202 4.044 0.158 1 1 1454 . 20 1 1 A 140 140 GLY HA3 H 140 3.595 4.062 -0.467 1 1 1455 . 20 1 1 A 140 140 GLY C C 140 171.240 174.275 -3.035 1 1 1456 . 20 1 1 A 140 140 GLY CA C 140 44.710 45.535 -0.825 1 1 1457 . 20 1 1 A 140 140 GLY N N 140 108.040 109.752 -1.712 1 1 1458 . 20 1 1 A 141 141 PRO HA H 141 4.460 4.605 -0.145 1 1 1463 . 20 1 1 A 141 141 PRO C C 141 176.150 176.145 0.005 1 1 1464 . 20 1 1 A 141 141 PRO CA C 141 63.230 62.723 0.507 1 1 1465 . 20 1 1 A 141 141 PRO CB C 141 32.370 33.370 -1.000 1 1 1466 . 20 1 1 A 142 142 ALA H H 142 8.496 8.403 0.093 1 1 1467 . 20 1 1 A 142 142 ALA HA H 142 4.363 4.420 -0.057 1 1 1471 . 20 1 1 A 142 142 ALA C C 142 177.320 176.991 0.329 1 1 1472 . 20 1 1 A 142 142 ALA CA C 142 52.740 51.357 1.383 1 1 1473 . 20 1 1 A 142 142 ALA CB C 142 19.780 18.372 1.408 1 1 1474 . 20 1 1 A 142 142 ALA N N 142 124.080 123.726 0.354 1 1 4 . 21 1 1 A 2 2 SER H H 2 8.404 8.982 -0.578 1 1 5 . 21 1 1 A 2 2 SER HA H 2 4.430 5.180 -0.750 1 1 8 . 21 1 1 A 2 2 SER C C 2 174.220 172.858 1.362 1 1 9 . 21 1 1 A 2 2 SER CA C 2 58.650 57.646 1.004 1 1 10 . 21 1 1 A 2 2 SER CB C 2 64.280 66.564 -2.284 1 1 11 . 21 1 1 A 2 2 SER N N 2 116.880 121.051 -4.171 1 1 12 . 21 1 1 A 3 3 ASP H H 3 8.314 8.445 -0.131 1 1 13 . 21 1 1 A 3 3 ASP HA H 3 4.594 4.772 -0.178 1 1 16 . 21 1 1 A 3 3 ASP C C 3 176.070 176.111 -0.041 1 1 17 . 21 1 1 A 3 3 ASP CA C 3 54.580 53.122 1.458 1 1 18 . 21 1 1 A 3 3 ASP CB C 3 41.530 41.857 -0.327 1 1 19 . 21 1 1 A 3 3 ASP N N 3 122.210 122.658 -0.448 1 1 20 . 21 1 1 A 4 4 ASN H H 4 8.326 8.523 -0.197 1 1 21 . 21 1 1 A 4 4 ASN HA H 4 4.748 5.399 -0.651 1 1 24 . 21 1 1 A 4 4 ASN C C 4 175.130 174.713 0.417 1 1 25 . 21 1 1 A 4 4 ASN CA C 4 53.430 51.507 1.923 1 1 26 . 21 1 1 A 4 4 ASN CB C 4 38.920 41.543 -2.623 1 1 27 . 21 1 1 A 4 4 ASN N N 4 118.670 117.571 1.099 1 1 28 . 21 1 1 A 5 5 ASN H H 5 8.467 8.700 -0.233 1 1 29 . 21 1 1 A 5 5 ASN HA H 5 4.702 5.059 -0.357 1 1 32 . 21 1 1 A 5 5 ASN C C 5 175.700 176.628 -0.928 1 1 33 . 21 1 1 A 5 5 ASN CA C 5 53.610 52.180 1.430 1 1 34 . 21 1 1 A 5 5 ASN CB C 5 39.090 39.271 -0.181 1 1 35 . 21 1 1 A 5 5 ASN N N 5 119.070 120.966 -1.896 1 1 36 . 21 1 1 A 6 6 GLY H H 6 8.333 8.372 -0.039 1 1 37 . 21 1 1 A 6 6 GLY HA2 H 6 3.960 3.946 0.014 1 1 38 . 21 1 1 A 6 6 GLY HA3 H 6 3.960 3.946 0.014 1 1 39 . 21 1 1 A 6 6 GLY C C 6 174.050 174.375 -0.325 1 1 40 . 21 1 1 A 6 6 GLY CA C 6 45.390 47.103 -1.713 1 1 41 . 21 1 1 A 6 6 GLY N N 6 109.000 107.754 1.246 1 1 42 . 21 1 1 A 7 7 THR H H 7 8.076 8.200 -0.124 1 1 43 . 21 1 1 A 7 7 THR HA H 7 4.591 4.657 -0.066 1 1 48 . 21 1 1 A 7 7 THR C C 7 172.840 173.444 -0.604 1 1 49 . 21 1 1 A 7 7 THR CA C 7 60.050 59.299 0.751 1 1 50 . 21 1 1 A 7 7 THR N N 7 116.910 114.683 2.227 1 1 51 . 21 1 1 A 8 8 PRO HA H 8 4.414 4.695 -0.281 1 1 54 . 21 1 1 A 8 8 PRO C C 8 176.690 176.247 0.443 1 1 55 . 21 1 1 A 8 8 PRO CA C 8 63.090 62.290 0.800 1 1 56 . 21 1 1 A 8 8 PRO CB C 8 32.290 32.555 -0.265 1 1 57 . 21 1 1 A 9 9 GLU H H 9 8.467 8.382 0.085 1 1 58 . 21 1 1 A 9 9 GLU HA H 9 4.527 5.066 -0.539 1 1 63 . 21 1 1 A 9 9 GLU C C 9 174.680 175.467 -0.787 1 1 64 . 21 1 1 A 9 9 GLU CA C 9 54.550 54.472 0.078 1 1 65 . 21 1 1 A 9 9 GLU N N 9 122.910 119.139 3.771 1 1 66 . 21 1 1 A 10 10 PRO HA H 10 4.371 4.770 -0.399 1 1 71 . 21 1 1 A 10 10 PRO C C 10 176.820 175.176 1.644 1 1 72 . 21 1 1 A 10 10 PRO CA C 10 63.300 62.198 1.102 1 1 73 . 21 1 1 A 10 10 PRO CB C 10 32.290 33.090 -0.800 1 1 74 . 21 1 1 A 11 11 GLN H H 11 8.543 8.316 0.227 1 1 75 . 21 1 1 A 11 11 GLN HA H 11 4.334 4.872 -0.538 1 1 82 . 21 1 1 A 11 11 GLN C C 11 176.010 174.527 1.483 1 1 83 . 21 1 1 A 11 11 GLN CA C 11 55.710 54.235 1.475 1 1 84 . 21 1 1 A 11 11 GLN CB C 11 29.520 33.239 -3.719 1 1 85 . 21 1 1 A 11 11 GLN N N 11 121.100 118.829 2.271 1 1 87 . 21 1 1 A 12 12 VAL H H 12 8.201 8.423 -0.222 1 1 88 . 21 1 1 A 12 12 VAL HA H 12 4.144 4.661 -0.517 1 1 96 . 21 1 1 A 12 12 VAL C C 12 175.940 174.976 0.964 1 1 97 . 21 1 1 A 12 12 VAL CA C 12 62.110 61.677 0.433 1 1 98 . 21 1 1 A 12 12 VAL CB C 12 32.800 32.555 0.245 1 1 99 . 21 1 1 A 12 12 VAL N N 12 122.070 121.032 1.038 1 1 100 . 21 1 1 A 13 13 GLU H H 13 8.593 9.162 -0.569 1 1 101 . 21 1 1 A 13 13 GLU HA H 13 4.329 5.119 -0.790 1 1 106 . 21 1 1 A 13 13 GLU C C 13 176.720 174.642 2.078 1 1 107 . 21 1 1 A 13 13 GLU CA C 13 56.830 54.532 2.298 1 1 108 . 21 1 1 A 13 13 GLU CB C 13 30.860 33.525 -2.665 1 1 109 . 21 1 1 A 13 13 GLU N N 13 124.660 128.938 -4.278 1 1 138 . 21 1 1 A 17 17 VAL H H 17 8.458 8.709 -0.251 1 1 139 . 21 1 1 A 17 17 VAL HA H 17 4.183 4.695 -0.512 1 1 147 . 21 1 1 A 17 17 VAL C C 17 175.950 174.983 0.967 1 1 148 . 21 1 1 A 17 17 VAL CA C 17 63.780 61.294 2.486 1 1 149 . 21 1 1 A 17 17 VAL CB C 17 32.460 33.291 -0.831 1 1 150 . 21 1 1 A 17 17 VAL N N 17 124.860 124.406 0.454 1 1 151 . 21 1 1 A 18 18 PHE H H 18 8.579 9.080 -0.501 1 1 152 . 21 1 1 A 18 18 PHE HA H 18 4.650 5.787 -1.137 1 1 160 . 21 1 1 A 18 18 PHE C C 18 173.450 173.701 -0.251 1 1 161 . 21 1 1 A 18 18 PHE CA C 18 57.480 55.172 2.308 1 1 162 . 21 1 1 A 18 18 PHE CB C 18 41.950 42.317 -0.367 1 1 163 . 21 1 1 A 18 18 PHE N N 18 127.160 123.865 3.295 1 1 164 . 21 1 1 A 19 19 ARG H H 19 7.920 8.815 -0.895 1 1 165 . 21 1 1 A 19 19 ARG HA H 19 4.196 4.674 -0.478 1 1 170 . 21 1 1 A 19 19 ARG C C 19 174.930 175.263 -0.333 1 1 171 . 21 1 1 A 19 19 ARG CA C 19 54.800 55.156 -0.356 1 1 172 . 21 1 1 A 19 19 ARG CB C 19 30.610 30.579 0.031 1 1 173 . 21 1 1 A 19 19 ARG N N 19 127.500 123.565 3.935 1 1 174 . 21 1 1 A 20 20 ALA H H 20 8.067 8.541 -0.474 1 1 175 . 21 1 1 A 20 20 ALA HA H 20 3.729 4.842 -1.113 1 1 179 . 21 1 1 A 20 20 ALA C C 20 177.630 177.735 -0.105 1 1 180 . 21 1 1 A 20 20 ALA CA C 20 53.280 50.108 3.172 1 1 181 . 21 1 1 A 20 20 ALA CB C 20 18.860 20.813 -1.953 1 1 182 . 21 1 1 A 20 20 ALA N N 20 126.460 126.959 -0.499 1 1 183 . 21 1 1 A 21 21 ASP H H 21 8.355 8.868 -0.513 1 1 184 . 21 1 1 A 21 21 ASP HA H 21 4.350 4.462 -0.112 1 1 187 . 21 1 1 A 21 21 ASP C C 21 176.720 177.703 -0.983 1 1 188 . 21 1 1 A 21 21 ASP CA C 21 54.480 55.725 -1.245 1 1 189 . 21 1 1 A 21 21 ASP CB C 21 40.350 40.960 -0.610 1 1 190 . 21 1 1 A 21 21 ASP N N 21 117.850 116.977 0.873 1 1 191 . 21 1 1 A 22 22 LEU H H 22 7.705 7.944 -0.239 1 1 192 . 21 1 1 A 22 22 LEU HA H 22 4.088 4.023 0.065 1 1 202 . 21 1 1 A 22 22 LEU C C 22 177.760 178.149 -0.389 1 1 203 . 21 1 1 A 22 22 LEU CA C 22 55.780 57.874 -2.094 1 1 204 . 21 1 1 A 22 22 LEU CB C 22 41.860 41.396 0.464 1 1 205 . 21 1 1 A 22 22 LEU N N 22 121.600 118.261 3.339 1 1 206 . 21 1 1 A 23 23 LEU H H 23 7.717 7.603 0.114 1 1 207 . 21 1 1 A 23 23 LEU HA H 23 4.166 3.897 0.269 1 1 217 . 21 1 1 A 23 23 LEU C C 23 177.840 178.399 -0.559 1 1 218 . 21 1 1 A 23 23 LEU CA C 23 55.960 57.633 -1.673 1 1 219 . 21 1 1 A 23 23 LEU CB C 23 41.950 41.206 0.744 1 1 220 . 21 1 1 A 23 23 LEU N N 23 120.360 119.194 1.166 1 1 221 . 21 1 1 A 24 24 LYS H H 24 7.933 8.162 -0.229 1 1 222 . 21 1 1 A 24 24 LYS HA H 24 4.174 4.024 0.150 1 1 229 . 21 1 1 A 24 24 LYS C C 24 177.190 179.090 -1.900 1 1 230 . 21 1 1 A 24 24 LYS CA C 24 57.050 59.251 -2.201 1 1 231 . 21 1 1 A 24 24 LYS CB C 24 32.880 31.938 0.942 1 1 232 . 21 1 1 A 24 24 LYS N N 24 121.120 118.568 2.552 1 1 233 . 21 1 1 A 25 25 GLU H H 25 8.160 7.886 0.274 1 1 234 . 21 1 1 A 25 25 GLU HA H 25 4.199 4.024 0.175 1 1 239 . 21 1 1 A 25 25 GLU C C 25 176.900 178.448 -1.548 1 1 240 . 21 1 1 A 25 25 GLU CA C 25 57.010 59.390 -2.380 1 1 241 . 21 1 1 A 25 25 GLU CB C 25 30.280 29.233 1.047 1 1 242 . 21 1 1 A 25 25 GLU N N 25 121.550 119.498 2.052 1 1 243 . 21 1 1 A 26 26 MET H H 26 8.270 7.987 0.283 1 1 244 . 21 1 1 A 26 26 MET HA H 26 4.360 4.315 0.045 1 1 252 . 21 1 1 A 26 26 MET C C 26 176.440 177.552 -1.112 1 1 253 . 21 1 1 A 26 26 MET CA C 26 56.180 56.303 -0.123 1 1 254 . 21 1 1 A 26 26 MET CB C 26 33.050 31.326 1.724 1 1 255 . 21 1 1 A 26 26 MET N N 26 120.730 118.526 2.204 1 1 256 . 21 1 1 A 27 27 GLU H H 27 8.297 8.016 0.281 1 1 257 . 21 1 1 A 27 27 GLU HA H 27 4.264 4.191 0.073 1 1 262 . 21 1 1 A 27 27 GLU C C 27 176.650 178.668 -2.018 1 1 263 . 21 1 1 A 27 27 GLU CA C 27 56.830 58.550 -1.720 1 1 264 . 21 1 1 A 27 27 GLU CB C 27 30.530 30.143 0.387 1 1 265 . 21 1 1 A 27 27 GLU N N 27 121.650 120.325 1.325 1 1 266 . 21 1 1 A 28 28 SER H H 28 8.279 8.182 0.097 1 1 267 . 21 1 1 A 28 28 SER HA H 28 4.473 4.152 0.321 1 1 270 . 21 1 1 A 28 28 SER C C 28 174.760 176.579 -1.819 1 1 271 . 21 1 1 A 28 28 SER CA C 28 58.460 62.074 -3.614 1 1 272 . 21 1 1 A 28 28 SER CB C 28 64.190 62.773 1.417 1 1 273 . 21 1 1 A 28 28 SER N N 28 116.610 117.765 -1.155 1 1 274 . 21 1 1 A 29 29 SER H H 29 8.443 7.541 0.902 1 1 275 . 21 1 1 A 29 29 SER HA H 29 4.541 4.309 0.232 1 1 278 . 21 1 1 A 29 29 SER C C 29 174.950 175.485 -0.535 1 1 279 . 21 1 1 A 29 29 SER CA C 29 58.530 59.891 -1.361 1 1 280 . 21 1 1 A 29 29 SER CB C 29 64.190 64.452 -0.262 1 1 281 . 21 1 1 A 29 29 SER N N 29 118.290 113.536 4.754 1 1 282 . 21 1 1 A 30 30 THR H H 30 8.220 8.048 0.172 1 1 283 . 21 1 1 A 30 30 THR HA H 30 4.372 3.964 0.408 1 1 288 . 21 1 1 A 30 30 THR C C 30 175.280 173.576 1.704 1 1 289 . 21 1 1 A 30 30 THR CA C 30 62.260 65.550 -3.290 1 1 290 . 21 1 1 A 30 30 THR CB C 30 69.900 66.766 3.134 1 1 291 . 21 1 1 A 30 30 THR N N 30 115.600 111.201 4.399 1 1 292 . 21 1 1 A 31 31 GLY H H 31 8.401 8.108 0.293 1 1 293 . 21 1 1 A 31 31 GLY HA2 H 31 4.005 4.052 -0.047 1 1 294 . 21 1 1 A 31 31 GLY HA3 H 31 4.005 4.057 -0.052 1 1 295 . 21 1 1 A 31 31 GLY C C 31 174.160 172.259 1.901 1 1 296 . 21 1 1 A 31 31 GLY CA C 31 45.470 45.181 0.289 1 1 297 . 21 1 1 A 31 31 GLY N N 31 111.270 106.054 5.216 1 1 298 . 21 1 1 A 32 32 THR H H 32 8.034 8.549 -0.515 1 1 299 . 21 1 1 A 32 32 THR HA H 32 4.319 4.943 -0.624 1 1 304 . 21 1 1 A 32 32 THR C C 32 174.130 173.749 0.381 1 1 305 . 21 1 1 A 32 32 THR CA C 32 61.710 61.770 -0.060 1 1 306 . 21 1 1 A 32 32 THR CB C 32 70.150 70.543 -0.393 1 1 307 . 21 1 1 A 32 32 THR N N 32 113.770 116.184 -2.414 1 1 308 . 21 1 1 A 33 33 ALA H H 33 8.410 8.722 -0.312 1 1 309 . 21 1 1 A 33 33 ALA HA H 33 4.581 4.709 -0.128 1 1 313 . 21 1 1 A 33 33 ALA C C 33 175.490 176.216 -0.726 1 1 314 . 21 1 1 A 33 33 ALA CA C 33 50.680 49.501 1.179 1 1 315 . 21 1 1 A 33 33 ALA N N 33 128.320 128.599 -0.279 1 1 316 . 21 1 1 A 34 34 PRO HA H 34 4.389 4.565 -0.176 1 1 321 . 21 1 1 A 34 34 PRO C C 34 176.650 176.715 -0.065 1 1 322 . 21 1 1 A 34 34 PRO CA C 34 63.090 62.635 0.455 1 1 323 . 21 1 1 A 34 34 PRO CB C 34 32.210 32.059 0.151 1 1 324 . 21 1 1 A 35 35 ALA H H 35 8.433 8.183 0.250 1 1 325 . 21 1 1 A 35 35 ALA HA H 35 4.275 4.492 -0.217 1 1 329 . 21 1 1 A 35 35 ALA C C 35 177.730 177.672 0.058 1 1 330 . 21 1 1 A 35 35 ALA CA C 35 52.590 51.199 1.391 1 1 331 . 21 1 1 A 35 35 ALA CB C 35 19.450 20.358 -0.908 1 1 332 . 21 1 1 A 35 35 ALA N N 35 124.330 124.188 0.142 1 1 333 . 21 1 1 A 36 36 SER H H 36 8.259 8.639 -0.380 1 1 334 . 21 1 1 A 36 36 SER HA H 36 4.474 4.468 0.006 1 1 337 . 21 1 1 A 36 36 SER C C 36 174.860 174.907 -0.047 1 1 338 . 21 1 1 A 36 36 SER CA C 36 58.130 59.371 -1.241 1 1 339 . 21 1 1 A 36 36 SER CB C 36 64.190 63.440 0.750 1 1 340 . 21 1 1 A 36 36 SER N N 36 114.560 117.296 -2.736 1 1 341 . 21 1 1 A 37 37 THR H H 37 8.325 8.634 -0.309 1 1 342 . 21 1 1 A 37 37 THR HA H 37 4.281 3.799 0.482 1 1 346 . 21 1 1 A 37 37 THR C C 37 175.110 175.678 -0.568 1 1 347 . 21 1 1 A 37 37 THR CA C 37 62.260 65.094 -2.834 1 1 348 . 21 1 1 A 37 37 THR CB C 37 70.150 68.381 1.769 1 1 349 . 21 1 1 A 37 37 THR N N 37 115.300 120.634 -5.334 1 1 350 . 21 1 1 A 38 38 GLY H H 38 8.511 9.106 -0.595 1 1 351 . 21 1 1 A 38 38 GLY HA2 H 38 3.975 3.936 0.039 1 1 352 . 21 1 1 A 38 38 GLY HA3 H 38 3.809 3.939 -0.130 1 1 353 . 21 1 1 A 38 38 GLY C C 38 174.470 175.667 -1.197 1 1 354 . 21 1 1 A 38 38 GLY CA C 38 45.470 45.431 0.039 1 1 355 . 21 1 1 A 38 38 GLY N N 38 110.440 114.830 -4.390 1 1 356 . 21 1 1 A 39 39 ALA H H 39 8.245 7.827 0.418 1 1 357 . 21 1 1 A 39 39 ALA HA H 39 4.164 3.969 0.195 1 1 361 . 21 1 1 A 39 39 ALA C C 39 177.590 179.364 -1.774 1 1 362 . 21 1 1 A 39 39 ALA CA C 39 52.560 54.581 -2.021 1 1 363 . 21 1 1 A 39 39 ALA CB C 39 19.360 18.198 1.162 1 1 364 . 21 1 1 A 39 39 ALA N N 39 124.080 123.865 0.215 1 1 365 . 21 1 1 A 40 40 GLU H H 40 8.721 8.321 0.400 1 1 366 . 21 1 1 A 40 40 GLU HA H 40 4.083 4.137 -0.054 1 1 371 . 21 1 1 A 40 40 GLU C C 40 176.320 176.769 -0.449 1 1 372 . 21 1 1 A 40 40 GLU CA C 40 57.910 57.321 0.589 1 1 373 . 21 1 1 A 40 40 GLU CB C 40 29.520 28.622 0.898 1 1 374 . 21 1 1 A 40 40 GLU N N 40 118.270 115.647 2.623 1 1 375 . 21 1 1 A 41 41 ASN H H 41 8.226 7.715 0.511 1 1 376 . 21 1 1 A 41 41 ASN HA H 41 4.716 4.751 -0.035 1 1 381 . 21 1 1 A 41 41 ASN C C 41 174.800 174.832 -0.032 1 1 382 . 21 1 1 A 41 41 ASN CA C 41 52.880 53.474 -0.594 1 1 383 . 21 1 1 A 41 41 ASN CB C 41 38.840 38.787 0.053 1 1 384 . 21 1 1 A 41 41 ASN N N 41 117.620 117.406 0.214 1 1 386 . 21 1 1 A 42 42 LEU H H 42 7.629 7.753 -0.124 1 1 387 . 21 1 1 A 42 42 LEU HA H 42 4.418 3.944 0.474 1 1 397 . 21 1 1 A 42 42 LEU C C 42 174.610 176.920 -2.310 1 1 398 . 21 1 1 A 42 42 LEU CA C 42 53.170 55.637 -2.467 1 1 399 . 21 1 1 A 42 42 LEU N N 42 123.010 116.541 6.469 1 1 400 . 21 1 1 A 43 43 PRO HA H 43 4.366 4.283 0.083 1 1 407 . 21 1 1 A 43 43 PRO C C 43 177.050 178.885 -1.835 1 1 408 . 21 1 1 A 43 43 PRO CA C 43 62.260 66.378 -4.118 1 1 409 . 21 1 1 A 43 43 PRO CB C 43 32.380 31.175 1.205 1 1 410 . 21 1 1 A 44 44 ALA H H 44 8.552 7.673 0.879 1 1 411 . 21 1 1 A 44 44 ALA HA H 44 4.223 4.297 -0.074 1 1 415 . 21 1 1 A 44 44 ALA C C 44 179.500 177.895 1.605 1 1 416 . 21 1 1 A 44 44 ALA CA C 44 53.250 52.424 0.826 1 1 417 . 21 1 1 A 44 44 ALA CB C 44 18.190 19.569 -1.379 1 1 418 . 21 1 1 A 44 44 ALA N N 44 125.070 118.509 6.561 1 1 419 . 21 1 1 A 45 45 GLY H H 45 8.897 8.678 0.219 1 1 420 . 21 1 1 A 45 45 GLY HA2 H 45 4.214 3.978 0.236 1 1 421 . 21 1 1 A 45 45 GLY HA3 H 45 3.833 4.002 -0.169 1 1 422 . 21 1 1 A 45 45 GLY C C 45 173.720 173.734 -0.014 1 1 423 . 21 1 1 A 45 45 GLY CA C 45 45.790 45.332 0.458 1 1 424 . 21 1 1 A 45 45 GLY N N 45 110.600 108.011 2.589 1 1 425 . 21 1 1 A 46 46 SER H H 46 7.690 7.919 -0.229 1 1 426 . 21 1 1 A 46 46 SER HA H 46 5.338 5.208 0.130 1 1 429 . 21 1 1 A 46 46 SER C C 46 172.990 173.017 -0.027 1 1 430 . 21 1 1 A 46 46 SER CA C 46 57.810 57.645 0.165 1 1 431 . 21 1 1 A 46 46 SER CB C 46 66.960 66.368 0.592 1 1 432 . 21 1 1 A 46 46 SER N N 46 114.180 117.643 -3.463 1 1 433 . 21 1 1 A 47 47 ALA H H 47 8.435 8.804 -0.369 1 1 434 . 21 1 1 A 47 47 ALA HA H 47 4.338 4.927 -0.589 1 1 438 . 21 1 1 A 47 47 ALA C C 47 173.840 175.507 -1.667 1 1 439 . 21 1 1 A 47 47 ALA CA C 47 51.690 50.521 1.169 1 1 440 . 21 1 1 A 47 47 ALA CB C 47 24.570 23.055 1.515 1 1 441 . 21 1 1 A 47 47 ALA N N 47 120.900 123.848 -2.948 1 1 442 . 21 1 1 A 48 48 LEU H H 48 8.673 8.318 0.355 1 1 443 . 21 1 1 A 48 48 LEU HA H 48 5.021 4.937 0.084 1 1 453 . 21 1 1 A 48 48 LEU C C 48 174.680 174.707 -0.027 1 1 454 . 21 1 1 A 48 48 LEU CA C 48 53.350 52.357 0.993 1 1 455 . 21 1 1 A 48 48 LEU CB C 48 48.150 46.061 2.089 1 1 456 . 21 1 1 A 48 48 LEU N N 48 120.170 115.373 4.797 1 1 457 . 21 1 1 A 49 49 LEU H H 49 8.686 8.414 0.272 1 1 458 . 21 1 1 A 49 49 LEU HA H 49 5.403 5.099 0.304 1 1 468 . 21 1 1 A 49 49 LEU C C 49 176.170 174.330 1.840 1 1 469 . 21 1 1 A 49 49 LEU CA C 49 52.810 52.598 0.212 1 1 470 . 21 1 1 A 49 49 LEU CB C 49 46.310 45.593 0.717 1 1 471 . 21 1 1 A 49 49 LEU N N 49 120.170 116.177 3.993 1 1 472 . 21 1 1 A 50 50 VAL H H 50 8.874 9.266 -0.392 1 1 473 . 21 1 1 A 50 50 VAL HA H 50 4.971 5.084 -0.113 1 1 481 . 21 1 1 A 50 50 VAL C C 50 176.740 174.309 2.431 1 1 482 . 21 1 1 A 50 50 VAL CA C 50 59.940 59.541 0.399 1 1 483 . 21 1 1 A 50 50 VAL CB C 50 34.970 34.384 0.586 1 1 484 . 21 1 1 A 50 50 VAL N N 50 120.580 120.653 -0.073 1 1 485 . 21 1 1 A 51 51 VAL H H 51 8.984 9.385 -0.401 1 1 486 . 21 1 1 A 51 51 VAL HA H 51 4.155 4.037 0.118 1 1 494 . 21 1 1 A 51 51 VAL C C 51 176.050 176.046 0.004 1 1 495 . 21 1 1 A 51 51 VAL CA C 51 64.280 63.180 1.100 1 1 496 . 21 1 1 A 51 51 VAL CB C 51 31.280 31.331 -0.051 1 1 497 . 21 1 1 A 51 51 VAL N N 51 125.710 127.912 -2.202 1 1 498 . 21 1 1 A 52 52 LYS H H 52 9.444 9.167 0.277 1 1 499 . 21 1 1 A 52 52 LYS HA H 52 4.450 4.296 0.154 1 1 506 . 21 1 1 A 52 52 LYS C C 52 176.150 175.834 0.316 1 1 507 . 21 1 1 A 52 52 LYS CA C 52 57.050 57.672 -0.622 1 1 508 . 21 1 1 A 52 52 LYS CB C 52 34.470 33.838 0.632 1 1 509 . 21 1 1 A 52 52 LYS N N 52 132.750 129.962 2.788 1 1 510 . 21 1 1 A 53 53 ARG H H 53 8.051 7.689 0.362 1 1 511 . 21 1 1 A 53 53 ARG HA H 53 4.685 4.772 -0.087 1 1 516 . 21 1 1 A 53 53 ARG C C 53 173.470 174.785 -1.315 1 1 517 . 21 1 1 A 53 53 ARG CA C 53 55.090 55.570 -0.480 1 1 518 . 21 1 1 A 53 53 ARG CB C 53 34.300 34.032 0.268 1 1 519 . 21 1 1 A 53 53 ARG N N 53 117.320 118.681 -1.361 1 1 520 . 21 1 1 A 54 54 GLY H H 54 8.377 8.493 -0.116 1 1 521 . 21 1 1 A 54 54 GLY HA2 H 54 4.215 3.877 0.338 1 1 522 . 21 1 1 A 54 54 GLY HA3 H 54 3.503 4.083 -0.580 1 1 523 . 21 1 1 A 54 54 GLY C C 54 171.870 174.386 -2.516 1 1 524 . 21 1 1 A 54 54 GLY CA C 54 43.770 43.972 -0.202 1 1 525 . 21 1 1 A 54 54 GLY N N 54 110.960 111.686 -0.726 1 1 526 . 21 1 1 A 55 55 PRO HA H 55 4.255 4.290 -0.035 1 1 531 . 21 1 1 A 55 55 PRO C C 55 175.940 177.272 -1.332 1 1 532 . 21 1 1 A 55 55 PRO CA C 55 64.390 64.470 -0.080 1 1 533 . 21 1 1 A 55 55 PRO CB C 55 31.360 31.987 -0.627 1 1 534 . 21 1 1 A 56 56 ASN H H 56 8.202 8.063 0.139 1 1 535 . 21 1 1 A 56 56 ASN HA H 56 4.685 4.858 -0.173 1 1 540 . 21 1 1 A 56 56 ASN C C 56 174.410 174.930 -0.520 1 1 541 . 21 1 1 A 56 56 ASN CA C 56 52.120 52.637 -0.517 1 1 542 . 21 1 1 A 56 56 ASN CB C 56 37.070 38.905 -1.835 1 1 543 . 21 1 1 A 56 56 ASN N N 56 114.760 114.782 -0.022 1 1 545 . 21 1 1 A 57 57 ALA H H 57 7.283 7.173 0.110 1 1 546 . 21 1 1 A 57 57 ALA HA H 57 3.618 4.096 -0.478 1 1 550 . 21 1 1 A 57 57 ALA C C 57 178.090 178.350 -0.260 1 1 551 . 21 1 1 A 57 57 ALA CA C 57 54.480 53.842 0.638 1 1 552 . 21 1 1 A 57 57 ALA CB C 57 17.760 18.390 -0.630 1 1 553 . 21 1 1 A 57 57 ALA N N 57 120.380 122.343 -1.963 1 1 554 . 21 1 1 A 58 58 GLY H H 58 9.052 9.087 -0.035 1 1 555 . 21 1 1 A 58 58 GLY HA2 H 58 4.449 4.032 0.417 1 1 556 . 21 1 1 A 58 58 GLY HA3 H 58 3.415 4.034 -0.619 1 1 557 . 21 1 1 A 58 58 GLY C C 58 174.610 174.674 -0.064 1 1 558 . 21 1 1 A 58 58 GLY CA C 58 44.530 45.080 -0.550 1 1 559 . 21 1 1 A 58 58 GLY N N 58 112.180 110.712 1.468 1 1 560 . 21 1 1 A 59 59 ALA H H 59 8.171 7.845 0.326 1 1 561 . 21 1 1 A 59 59 ALA HA H 59 4.081 4.606 -0.525 1 1 565 . 21 1 1 A 59 59 ALA C C 59 175.220 176.812 -1.592 1 1 566 . 21 1 1 A 59 59 ALA CA C 59 53.170 51.819 1.351 1 1 567 . 21 1 1 A 59 59 ALA CB C 59 19.360 20.671 -1.311 1 1 568 . 21 1 1 A 59 59 ALA N N 59 124.650 123.889 0.761 1 1 569 . 21 1 1 A 60 60 ARG H H 60 7.751 9.062 -1.311 1 1 570 . 21 1 1 A 60 60 ARG HA H 60 5.105 5.389 -0.284 1 1 575 . 21 1 1 A 60 60 ARG C C 60 175.320 174.680 0.640 1 1 576 . 21 1 1 A 60 60 ARG CA C 60 54.150 54.099 0.051 1 1 577 . 21 1 1 A 60 60 ARG CB C 60 34.130 34.282 -0.152 1 1 578 . 21 1 1 A 60 60 ARG N N 60 116.920 117.320 -0.400 1 1 579 . 21 1 1 A 61 61 PHE H H 61 9.213 8.641 0.572 1 1 580 . 21 1 1 A 61 61 PHE HA H 61 4.788 5.277 -0.489 1 1 587 . 21 1 1 A 61 61 PHE C C 61 173.930 172.689 1.241 1 1 588 . 21 1 1 A 61 61 PHE CA C 61 56.500 56.132 0.368 1 1 589 . 21 1 1 A 61 61 PHE CB C 61 41.860 42.262 -0.402 1 1 590 . 21 1 1 A 61 61 PHE N N 61 121.090 116.637 4.453 1 1 591 . 21 1 1 A 62 62 LEU H H 62 8.638 9.017 -0.379 1 1 592 . 21 1 1 A 62 62 LEU HA H 62 4.566 4.891 -0.325 1 1 602 . 21 1 1 A 62 62 LEU C C 62 176.570 175.726 0.844 1 1 603 . 21 1 1 A 62 62 LEU CA C 62 55.130 52.980 2.150 1 1 604 . 21 1 1 A 62 62 LEU CB C 62 43.620 44.190 -0.570 1 1 605 . 21 1 1 A 62 62 LEU N N 62 125.630 119.552 6.078 1 1 606 . 21 1 1 A 63 63 LEU H H 63 8.929 8.686 0.243 1 1 607 . 21 1 1 A 63 63 LEU HA H 63 4.852 4.554 0.298 1 1 617 . 21 1 1 A 63 63 LEU C C 63 175.070 176.771 -1.701 1 1 618 . 21 1 1 A 63 63 LEU CA C 63 53.170 54.936 -1.766 1 1 619 . 21 1 1 A 63 63 LEU CB C 63 42.110 41.184 0.926 1 1 620 . 21 1 1 A 63 63 LEU N N 63 125.980 123.853 2.127 1 1 621 . 21 1 1 A 64 64 ASP H H 64 8.601 9.139 -0.538 1 1 622 . 21 1 1 A 64 64 ASP HA H 64 4.736 4.876 -0.140 1 1 625 . 21 1 1 A 64 64 ASP C C 64 175.130 175.745 -0.615 1 1 626 . 21 1 1 A 64 64 ASP CA C 64 53.640 54.033 -0.393 1 1 627 . 21 1 1 A 64 64 ASP CB C 64 41.020 43.035 -2.015 1 1 628 . 21 1 1 A 64 64 ASP N N 64 120.910 126.330 -5.420 1 1 629 . 21 1 1 A 65 65 GLN H H 65 7.497 7.626 -0.129 1 1 630 . 21 1 1 A 65 65 GLN HA H 65 4.856 4.772 0.084 1 1 637 . 21 1 1 A 65 65 GLN C C 65 173.550 175.623 -2.073 1 1 638 . 21 1 1 A 65 65 GLN CA C 65 52.780 53.597 -0.817 1 1 639 . 21 1 1 A 65 65 GLN N N 65 117.420 115.647 1.773 1 1 641 . 21 1 1 A 66 66 PRO HA H 66 4.190 4.487 -0.297 1 1 648 . 21 1 1 A 66 66 PRO C C 66 177.400 176.715 0.685 1 1 649 . 21 1 1 A 66 66 PRO CA C 66 66.810 64.768 2.042 1 1 650 . 21 1 1 A 66 66 PRO CB C 66 32.370 32.305 0.065 1 1 651 . 21 1 1 A 67 67 THR H H 67 7.647 7.514 0.133 1 1 652 . 21 1 1 A 67 67 THR HA H 67 4.811 5.499 -0.688 1 1 657 . 21 1 1 A 67 67 THR C C 67 173.280 173.190 0.090 1 1 658 . 21 1 1 A 67 67 THR CA C 67 62.830 61.432 1.398 1 1 659 . 21 1 1 A 67 67 THR CB C 67 71.740 71.663 0.077 1 1 660 . 21 1 1 A 67 67 THR N N 67 109.270 112.098 -2.828 1 1 661 . 21 1 1 A 68 68 THR H H 68 8.919 9.485 -0.566 1 1 662 . 21 1 1 A 68 68 THR HA H 68 4.968 5.030 -0.062 1 1 667 . 21 1 1 A 68 68 THR C C 68 175.090 174.128 0.962 1 1 668 . 21 1 1 A 68 68 THR CA C 68 61.820 62.311 -0.491 1 1 669 . 21 1 1 A 68 68 THR CB C 68 70.730 69.689 1.041 1 1 670 . 21 1 1 A 68 68 THR N N 68 125.610 124.187 1.423 1 1 671 . 21 1 1 A 69 69 THR H H 69 10.398 8.967 1.431 1 1 672 . 21 1 1 A 69 69 THR HA H 69 4.491 4.863 -0.372 1 1 677 . 21 1 1 A 69 69 THR C C 69 173.140 174.123 -0.983 1 1 678 . 21 1 1 A 69 69 THR CA C 69 61.790 62.222 -0.432 1 1 679 . 21 1 1 A 69 69 THR CB C 69 70.820 70.227 0.593 1 1 680 . 21 1 1 A 69 69 THR N N 69 121.520 122.968 -1.448 1 1 681 . 21 1 1 A 70 70 ALA H H 70 8.722 9.058 -0.336 1 1 682 . 21 1 1 A 70 70 ALA HA H 70 5.696 5.925 -0.229 1 1 686 . 21 1 1 A 70 70 ALA C C 70 175.840 175.836 0.004 1 1 687 . 21 1 1 A 70 70 ALA CA C 70 50.030 50.749 -0.719 1 1 688 . 21 1 1 A 70 70 ALA CB C 70 22.300 23.291 -0.991 1 1 689 . 21 1 1 A 70 70 ALA N N 70 122.410 128.248 -5.838 1 1 690 . 21 1 1 A 71 71 GLY H H 71 8.430 7.960 0.470 1 1 691 . 21 1 1 A 71 71 GLY HA2 H 71 4.474 4.215 0.259 1 1 692 . 21 1 1 A 71 71 GLY HA3 H 71 3.903 4.245 -0.342 1 1 693 . 21 1 1 A 71 71 GLY C C 71 170.540 171.942 -1.402 1 1 694 . 21 1 1 A 71 71 GLY CA C 71 46.300 45.196 1.104 1 1 695 . 21 1 1 A 71 71 GLY N N 71 108.960 107.878 1.082 1 1 696 . 21 1 1 A 72 72 ARG H H 72 8.341 8.600 -0.259 1 1 697 . 21 1 1 A 72 72 ARG HA H 72 4.481 4.425 0.056 1 1 702 . 21 1 1 A 72 72 ARG C C 72 175.720 175.977 -0.257 1 1 703 . 21 1 1 A 72 72 ARG CA C 72 54.800 56.213 -1.413 1 1 704 . 21 1 1 A 72 72 ARG CB C 72 32.540 31.078 1.462 1 1 705 . 21 1 1 A 72 72 ARG N N 72 120.930 121.450 -0.520 1 1 706 . 21 1 1 A 73 73 HIS H H 73 9.295 8.983 0.312 1 1 707 . 21 1 1 A 73 73 HIS HA H 73 4.403 4.837 -0.434 1 1 712 . 21 1 1 A 73 73 HIS C C 73 176.860 175.110 1.750 1 1 713 . 21 1 1 A 73 73 HIS CA C 73 57.050 56.852 0.198 1 1 714 . 21 1 1 A 73 73 HIS N N 73 125.290 119.383 5.907 1 1 715 . 21 1 1 A 74 74 PRO HA H 74 4.373 4.541 -0.168 1 1 722 . 21 1 1 A 74 74 PRO C C 74 177.590 177.098 0.492 1 1 723 . 21 1 1 A 74 74 PRO CA C 74 64.930 64.226 0.704 1 1 724 . 21 1 1 A 74 74 PRO CB C 74 32.030 32.155 -0.125 1 1 725 . 21 1 1 A 75 75 GLU H H 75 10.575 8.514 2.061 1 1 726 . 21 1 1 A 75 75 GLU HA H 75 4.352 4.293 0.059 1 1 731 . 21 1 1 A 75 75 GLU C C 75 177.320 177.007 0.313 1 1 732 . 21 1 1 A 75 75 GLU CA C 75 56.070 57.853 -1.783 1 1 733 . 21 1 1 A 75 75 GLU CB C 75 29.010 29.177 -0.167 1 1 734 . 21 1 1 A 75 75 GLU N N 75 119.840 116.239 3.601 1 1 735 . 21 1 1 A 76 76 SER H H 76 8.236 7.567 0.669 1 1 736 . 21 1 1 A 76 76 SER HA H 76 4.100 4.379 -0.279 1 1 739 . 21 1 1 A 76 76 SER C C 76 173.120 174.527 -1.407 1 1 740 . 21 1 1 A 76 76 SER CA C 76 60.160 60.565 -0.405 1 1 741 . 21 1 1 A 76 76 SER CB C 76 65.530 63.523 2.007 1 1 742 . 21 1 1 A 76 76 SER N N 76 118.860 116.603 2.257 1 1 743 . 21 1 1 A 77 77 ASP H H 77 8.541 8.749 -0.208 1 1 744 . 21 1 1 A 77 77 ASP HA H 77 4.344 4.422 -0.078 1 1 747 . 21 1 1 A 77 77 ASP C C 77 177.590 175.755 1.835 1 1 748 . 21 1 1 A 77 77 ASP CA C 77 58.380 57.120 1.260 1 1 749 . 21 1 1 A 77 77 ASP CB C 77 42.110 40.613 1.497 1 1 750 . 21 1 1 A 77 77 ASP N N 77 126.720 123.677 3.043 1 1 751 . 21 1 1 A 78 78 ILE H H 78 8.571 8.355 0.216 1 1 752 . 21 1 1 A 78 78 ILE HA H 78 3.563 4.442 -0.879 1 1 762 . 21 1 1 A 78 78 ILE C C 78 172.930 174.110 -1.180 1 1 763 . 21 1 1 A 78 78 ILE CA C 78 60.880 60.233 0.647 1 1 764 . 21 1 1 A 78 78 ILE CB C 78 37.410 39.883 -2.473 1 1 765 . 21 1 1 A 78 78 ILE N N 78 120.210 117.650 2.560 1 1 766 . 21 1 1 A 79 79 PHE H H 79 8.018 9.119 -1.101 1 1 767 . 21 1 1 A 79 79 PHE HA H 79 5.018 5.071 -0.053 1 1 775 . 21 1 1 A 79 79 PHE C C 79 174.130 173.937 0.193 1 1 776 . 21 1 1 A 79 79 PHE CA C 79 55.780 56.161 -0.381 1 1 777 . 21 1 1 A 79 79 PHE CB C 79 39.170 40.396 -1.226 1 1 778 . 21 1 1 A 79 79 PHE N N 79 127.300 128.726 -1.426 1 1 779 . 21 1 1 A 80 80 LEU H H 80 7.695 8.671 -0.976 1 1 780 . 21 1 1 A 80 80 LEU HA H 80 3.619 5.126 -1.507 1 1 790 . 21 1 1 A 80 80 LEU C C 80 173.720 174.841 -1.121 1 1 791 . 21 1 1 A 80 80 LEU CA C 80 52.340 53.233 -0.893 1 1 792 . 21 1 1 A 80 80 LEU CB C 80 41.770 43.360 -1.590 1 1 793 . 21 1 1 A 80 80 LEU N N 80 131.810 128.603 3.207 1 1 794 . 21 1 1 A 81 81 ASP H H 81 7.974 8.669 -0.695 1 1 795 . 21 1 1 A 81 81 ASP HA H 81 4.141 4.587 -0.446 1 1 798 . 21 1 1 A 81 81 ASP C C 81 175.130 175.281 -0.151 1 1 799 . 21 1 1 A 81 81 ASP CA C 81 53.210 53.916 -0.706 1 1 800 . 21 1 1 A 81 81 ASP CB C 81 39.930 41.517 -1.587 1 1 801 . 21 1 1 A 81 81 ASP N N 81 121.130 126.156 -5.026 1 1 802 . 21 1 1 A 82 82 ASP H H 82 7.583 8.658 -1.075 1 1 803 . 21 1 1 A 82 82 ASP HA H 82 4.859 5.110 -0.251 1 1 806 . 21 1 1 A 82 82 ASP C C 82 176.760 176.786 -0.026 1 1 807 . 21 1 1 A 82 82 ASP CA C 82 54.980 54.005 0.975 1 1 808 . 21 1 1 A 82 82 ASP CB C 82 39.170 42.489 -3.319 1 1 809 . 21 1 1 A 82 82 ASP N N 82 121.540 126.244 -4.704 1 1 810 . 21 1 1 A 83 83 VAL H H 83 8.344 8.644 -0.300 1 1 811 . 21 1 1 A 83 83 VAL HA H 83 4.012 3.733 0.279 1 1 819 . 21 1 1 A 83 83 VAL C C 83 174.860 176.046 -1.186 1 1 820 . 21 1 1 A 83 83 VAL CA C 83 65.330 65.268 0.062 1 1 821 . 21 1 1 A 83 83 VAL CB C 83 31.530 31.090 0.440 1 1 822 . 21 1 1 A 83 83 VAL N N 83 122.260 122.569 -0.309 1 1 823 . 21 1 1 A 84 84 THR H H 84 8.268 7.855 0.413 1 1 824 . 21 1 1 A 84 84 THR HA H 84 4.540 4.803 -0.263 1 1 828 . 21 1 1 A 84 84 THR C C 84 175.360 173.908 1.452 1 1 829 . 21 1 1 A 84 84 THR CA C 84 63.810 60.292 3.518 1 1 830 . 21 1 1 A 84 84 THR CB C 84 70.900 71.800 -0.900 1 1 831 . 21 1 1 A 84 84 THR N N 84 110.620 112.066 -1.446 1 1 832 . 21 1 1 A 85 85 VAL H H 85 8.579 8.678 -0.099 1 1 833 . 21 1 1 A 85 85 VAL HA H 85 4.254 4.280 -0.026 1 1 841 . 21 1 1 A 85 85 VAL C C 85 177.070 175.157 1.913 1 1 842 . 21 1 1 A 85 85 VAL CA C 85 61.930 62.643 -0.713 1 1 843 . 21 1 1 A 85 85 VAL CB C 85 32.450 31.057 1.393 1 1 844 . 21 1 1 A 85 85 VAL N N 85 126.860 121.307 5.553 1 1 845 . 21 1 1 A 86 86 SER H H 86 11.668 8.745 2.923 1 1 846 . 21 1 1 A 86 86 SER HA H 86 5.203 4.984 0.219 1 1 849 . 21 1 1 A 86 86 SER C C 86 175.470 174.077 1.393 1 1 850 . 21 1 1 A 86 86 SER CA C 86 61.600 57.372 4.228 1 1 851 . 21 1 1 A 86 86 SER CB C 86 64.270 63.966 0.304 1 1 852 . 21 1 1 A 86 86 SER N N 86 128.670 125.886 2.784 1 1 853 . 21 1 1 A 87 87 ARG H H 87 10.946 8.243 2.703 1 1 854 . 21 1 1 A 87 87 ARG HA H 87 5.179 4.545 0.634 1 1 862 . 21 1 1 A 87 87 ARG C C 87 177.110 176.495 0.615 1 1 863 . 21 1 1 A 87 87 ARG CA C 87 60.810 58.859 1.951 1 1 864 . 21 1 1 A 87 87 ARG CB C 87 29.010 29.715 -0.705 1 1 865 . 21 1 1 A 87 87 ARG N N 87 126.810 124.246 2.564 1 1 867 . 21 1 1 A 88 88 ARG H H 88 7.946 7.919 0.027 1 1 868 . 21 1 1 A 88 88 ARG HA H 88 4.459 4.577 -0.118 1 1 876 . 21 1 1 A 88 88 ARG C C 88 172.990 175.818 -2.828 1 1 877 . 21 1 1 A 88 88 ARG CA C 88 55.060 54.083 0.977 1 1 878 . 21 1 1 A 88 88 ARG CB C 88 29.770 29.294 0.476 1 1 879 . 21 1 1 A 88 88 ARG N N 88 115.670 119.135 -3.465 1 1 881 . 21 1 1 A 89 89 HIS H H 89 7.613 8.540 -0.927 1 1 882 . 21 1 1 A 89 89 HIS HA H 89 4.437 4.571 -0.134 1 1 888 . 21 1 1 A 89 89 HIS C C 89 174.050 174.904 -0.854 1 1 889 . 21 1 1 A 89 89 HIS CA C 89 58.420 58.073 0.347 1 1 890 . 21 1 1 A 89 89 HIS CB C 89 32.620 31.800 0.820 1 1 891 . 21 1 1 A 89 89 HIS N N 89 124.000 125.193 -1.193 1 1 893 . 21 1 1 A 90 90 ALA H H 90 8.454 7.486 0.968 1 1 894 . 21 1 1 A 90 90 ALA HA H 90 5.529 4.546 0.983 1 1 898 . 21 1 1 A 90 90 ALA C C 90 176.260 175.554 0.706 1 1 899 . 21 1 1 A 90 90 ALA CA C 90 50.240 51.134 -0.894 1 1 900 . 21 1 1 A 90 90 ALA CB C 90 23.220 22.577 0.643 1 1 901 . 21 1 1 A 90 90 ALA N N 90 116.480 118.779 -2.299 1 1 902 . 21 1 1 A 91 91 GLU H H 91 9.216 9.137 0.079 1 1 903 . 21 1 1 A 91 91 GLU HA H 91 4.931 5.312 -0.381 1 1 908 . 21 1 1 A 91 91 GLU C C 91 173.910 174.595 -0.685 1 1 909 . 21 1 1 A 91 91 GLU CA C 91 54.690 54.708 -0.018 1 1 910 . 21 1 1 A 91 91 GLU CB C 91 34.720 32.860 1.860 1 1 911 . 21 1 1 A 91 91 GLU N N 91 118.140 118.425 -0.285 1 1 912 . 21 1 1 A 92 92 PHE H H 92 9.330 9.759 -0.429 1 1 913 . 21 1 1 A 92 92 PHE HA H 92 5.502 5.324 0.178 1 1 921 . 21 1 1 A 92 92 PHE C C 92 176.650 174.864 1.786 1 1 922 . 21 1 1 A 92 92 PHE CA C 92 56.760 56.755 0.005 1 1 923 . 21 1 1 A 92 92 PHE CB C 92 41.690 40.420 1.270 1 1 924 . 21 1 1 A 92 92 PHE N N 92 119.490 122.172 -2.682 1 1 925 . 21 1 1 A 93 93 ARG H H 93 9.846 9.549 0.297 1 1 926 . 21 1 1 A 93 93 ARG HA H 93 5.610 5.103 0.507 1 1 934 . 21 1 1 A 93 93 ARG C C 93 175.010 174.970 0.040 1 1 935 . 21 1 1 A 93 93 ARG CA C 93 54.580 55.017 -0.437 1 1 936 . 21 1 1 A 93 93 ARG CB C 93 34.220 32.331 1.889 1 1 937 . 21 1 1 A 93 93 ARG N N 93 127.300 123.890 3.410 1 1 939 . 21 1 1 A 94 94 ILE H H 94 8.521 9.333 -0.812 1 1 940 . 21 1 1 A 94 94 ILE HA H 94 4.410 4.938 -0.528 1 1 950 . 21 1 1 A 94 94 ILE C C 94 176.420 174.430 1.990 1 1 951 . 21 1 1 A 94 94 ILE CA C 94 61.130 59.853 1.277 1 1 952 . 21 1 1 A 94 94 ILE CB C 94 38.830 38.532 0.298 1 1 953 . 21 1 1 A 94 94 ILE N N 94 121.680 125.609 -3.929 1 1 954 . 21 1 1 A 95 95 ASN H H 95 8.847 9.025 -0.178 1 1 955 . 21 1 1 A 95 95 ASN HA H 95 4.796 5.100 -0.304 1 1 960 . 21 1 1 A 95 95 ASN C C 95 174.430 174.356 0.074 1 1 961 . 21 1 1 A 95 95 ASN CA C 95 52.560 52.327 0.233 1 1 962 . 21 1 1 A 95 95 ASN CB C 95 40.510 40.851 -0.341 1 1 963 . 21 1 1 A 95 95 ASN N N 95 127.100 125.323 1.777 1 1 965 . 21 1 1 A 96 96 GLU H H 96 9.303 9.413 -0.110 1 1 966 . 21 1 1 A 96 96 GLU HA H 96 3.768 3.998 -0.230 1 1 971 . 21 1 1 A 96 96 GLU C C 96 176.280 176.455 -0.175 1 1 972 . 21 1 1 A 96 96 GLU CA C 96 57.150 57.652 -0.502 1 1 973 . 21 1 1 A 96 96 GLU CB C 96 27.590 28.236 -0.646 1 1 974 . 21 1 1 A 96 96 GLU N N 96 125.150 127.092 -1.942 1 1 975 . 21 1 1 A 97 97 GLY H H 97 7.937 8.456 -0.519 1 1 976 . 21 1 1 A 97 97 GLY HA2 H 97 4.042 3.668 0.374 1 1 977 . 21 1 1 A 97 97 GLY HA3 H 97 3.450 3.750 -0.300 1 1 978 . 21 1 1 A 97 97 GLY C C 97 172.990 173.523 -0.533 1 1 979 . 21 1 1 A 97 97 GLY CA C 97 45.390 45.229 0.161 1 1 980 . 21 1 1 A 97 97 GLY N N 97 104.330 103.970 0.360 1 1 981 . 21 1 1 A 98 98 GLU H H 98 7.557 7.707 -0.150 1 1 982 . 21 1 1 A 98 98 GLU HA H 98 4.591 4.574 0.017 1 1 987 . 21 1 1 A 98 98 GLU C C 98 174.530 175.736 -1.206 1 1 988 . 21 1 1 A 98 98 GLU CA C 98 54.770 54.954 -0.184 1 1 989 . 21 1 1 A 98 98 GLU CB C 98 32.290 31.521 0.769 1 1 990 . 21 1 1 A 98 98 GLU N N 98 119.350 119.941 -0.591 1 1 991 . 21 1 1 A 99 99 PHE H H 99 9.412 9.079 0.333 1 1 992 . 21 1 1 A 99 99 PHE HA H 99 5.007 5.291 -0.284 1 1 999 . 21 1 1 A 99 99 PHE C C 99 174.050 174.747 -0.697 1 1 1000 . 21 1 1 A 99 99 PHE CA C 99 57.260 56.883 0.377 1 1 1001 . 21 1 1 A 99 99 PHE CB C 99 42.110 40.714 1.396 1 1 1002 . 21 1 1 A 99 99 PHE N N 99 122.550 121.232 1.318 1 1 1003 . 21 1 1 A 100 100 GLU H H 100 9.444 9.413 0.031 1 1 1004 . 21 1 1 A 100 100 GLU HA H 100 5.145 4.927 0.218 1 1 1009 . 21 1 1 A 100 100 GLU C C 100 175.340 175.202 0.138 1 1 1010 . 21 1 1 A 100 100 GLU CA C 100 54.080 55.301 -1.221 1 1 1011 . 21 1 1 A 100 100 GLU CB C 100 34.720 32.347 2.373 1 1 1012 . 21 1 1 A 100 100 GLU N N 100 124.080 123.432 0.648 1 1 1013 . 21 1 1 A 101 101 VAL H H 101 8.726 9.236 -0.510 1 1 1014 . 21 1 1 A 101 101 VAL HA H 101 4.900 4.683 0.217 1 1 1022 . 21 1 1 A 101 101 VAL C C 101 172.510 174.538 -2.028 1 1 1023 . 21 1 1 A 101 101 VAL CA C 101 58.710 61.209 -2.499 1 1 1024 . 21 1 1 A 101 101 VAL CB C 101 33.550 33.209 0.341 1 1 1025 . 21 1 1 A 101 101 VAL N N 101 124.500 125.228 -0.728 1 1 1026 . 21 1 1 A 102 102 VAL H H 102 8.719 9.005 -0.286 1 1 1027 . 21 1 1 A 102 102 VAL HA H 102 4.578 4.616 -0.038 1 1 1035 . 21 1 1 A 102 102 VAL C C 102 175.380 173.763 1.617 1 1 1036 . 21 1 1 A 102 102 VAL CA C 102 60.370 60.773 -0.403 1 1 1037 . 21 1 1 A 102 102 VAL CB C 102 36.060 33.554 2.506 1 1 1038 . 21 1 1 A 102 102 VAL N N 102 125.900 128.130 -2.230 1 1 1039 . 21 1 1 A 103 103 ASP H H 103 8.626 9.260 -0.634 1 1 1040 . 21 1 1 A 103 103 ASP HA H 103 4.856 4.877 -0.021 1 1 1043 . 21 1 1 A 103 103 ASP C C 103 177.300 176.818 0.482 1 1 1044 . 21 1 1 A 103 103 ASP CA C 103 54.580 52.881 1.699 1 1 1045 . 21 1 1 A 103 103 ASP CB C 103 44.210 43.828 0.382 1 1 1046 . 21 1 1 A 103 103 ASP N N 103 127.250 128.149 -0.899 1 1 1047 . 21 1 1 A 104 104 VAL H H 104 7.890 8.574 -0.684 1 1 1048 . 21 1 1 A 104 104 VAL HA H 104 4.527 4.425 0.102 1 1 1056 . 21 1 1 A 104 104 VAL C C 104 174.490 176.465 -1.975 1 1 1057 . 21 1 1 A 104 104 VAL CA C 104 60.630 61.362 -0.732 1 1 1058 . 21 1 1 A 104 104 VAL CB C 104 29.350 32.847 -3.497 1 1 1059 . 21 1 1 A 104 104 VAL N N 104 119.270 120.018 -0.748 1 1 1060 . 21 1 1 A 105 105 GLY H H 105 8.690 7.882 0.808 1 1 1061 . 21 1 1 A 105 105 GLY HA2 H 105 4.270 4.035 0.235 1 1 1062 . 21 1 1 A 105 105 GLY HA3 H 105 3.685 4.071 -0.386 1 1 1063 . 21 1 1 A 105 105 GLY C C 105 175.490 175.068 0.422 1 1 1064 . 21 1 1 A 105 105 GLY CA C 105 45.650 45.470 0.180 1 1 1065 . 21 1 1 A 105 105 GLY N N 105 111.790 110.943 0.847 1 1 1066 . 21 1 1 A 106 106 SER H H 106 9.218 7.850 1.368 1 1 1067 . 21 1 1 A 106 106 SER HA H 106 3.894 3.883 0.011 1 1 1070 . 21 1 1 A 106 106 SER C C 106 174.590 176.051 -1.461 1 1 1071 . 21 1 1 A 106 106 SER CA C 106 58.600 62.698 -4.098 1 1 1072 . 21 1 1 A 106 106 SER CB C 106 61.250 62.581 -1.331 1 1 1073 . 21 1 1 A 106 106 SER N N 106 121.540 115.610 5.930 1 1 1074 . 21 1 1 A 107 107 LEU H H 107 8.018 7.986 0.032 1 1 1075 . 21 1 1 A 107 107 LEU HA H 107 4.240 3.975 0.265 1 1 1085 . 21 1 1 A 107 107 LEU C C 107 179.420 177.843 1.577 1 1 1086 . 21 1 1 A 107 107 LEU CA C 107 57.590 57.730 -0.140 1 1 1087 . 21 1 1 A 107 107 LEU CB C 107 42.360 41.192 1.168 1 1 1088 . 21 1 1 A 107 107 LEU N N 107 121.520 121.110 0.410 1 1 1089 . 21 1 1 A 108 108 ASN H H 108 8.799 8.009 0.790 1 1 1090 . 21 1 1 A 108 108 ASN HA H 108 4.986 4.638 0.348 1 1 1093 . 21 1 1 A 108 108 ASN C C 108 175.950 175.362 0.588 1 1 1094 . 21 1 1 A 108 108 ASN CA C 108 54.440 53.066 1.374 1 1 1095 . 21 1 1 A 108 108 ASN CB C 108 41.180 38.969 2.211 1 1 1096 . 21 1 1 A 108 108 ASN N N 108 111.800 115.605 -3.805 1 1 1097 . 21 1 1 A 109 109 GLY H H 109 8.025 7.460 0.565 1 1 1098 . 21 1 1 A 109 109 GLY HA2 H 109 4.237 3.895 0.342 1 1 1099 . 21 1 1 A 109 109 GLY HA3 H 109 3.621 4.003 -0.382 1 1 1100 . 21 1 1 A 109 109 GLY C C 109 173.820 174.349 -0.529 1 1 1101 . 21 1 1 A 109 109 GLY CA C 109 44.340 45.419 -1.079 1 1 1102 . 21 1 1 A 109 109 GLY N N 109 110.600 107.150 3.450 1 1 1103 . 21 1 1 A 110 110 THR H H 110 8.770 7.865 0.905 1 1 1104 . 21 1 1 A 110 110 THR HA H 110 4.797 4.708 0.089 1 1 1109 . 21 1 1 A 110 110 THR C C 110 172.570 173.778 -1.208 1 1 1110 . 21 1 1 A 110 110 THR CA C 110 64.540 63.319 1.221 1 1 1111 . 21 1 1 A 110 110 THR CB C 110 70.230 69.087 1.143 1 1 1112 . 21 1 1 A 110 110 THR N N 110 121.240 115.939 5.301 1 1 1113 . 21 1 1 A 111 111 TYR H H 111 8.272 8.810 -0.538 1 1 1114 . 21 1 1 A 111 111 TYR HA H 111 5.155 5.187 -0.032 1 1 1121 . 21 1 1 A 111 111 TYR C C 111 175.860 175.189 0.671 1 1 1122 . 21 1 1 A 111 111 TYR CA C 111 55.820 56.561 -0.741 1 1 1123 . 21 1 1 A 111 111 TYR CB C 111 41.100 42.979 -1.879 1 1 1124 . 21 1 1 A 111 111 TYR N N 111 123.680 125.162 -1.482 1 1 1125 . 21 1 1 A 112 112 VAL H H 112 9.017 9.315 -0.298 1 1 1126 . 21 1 1 A 112 112 VAL HA H 112 4.951 4.902 0.049 1 1 1134 . 21 1 1 A 112 112 VAL C C 112 176.780 176.069 0.711 1 1 1135 . 21 1 1 A 112 112 VAL CA C 112 61.130 60.820 0.310 1 1 1136 . 21 1 1 A 112 112 VAL CB C 112 32.870 34.227 -1.357 1 1 1137 . 21 1 1 A 112 112 VAL N N 112 121.300 122.060 -0.760 1 1 1138 . 21 1 1 A 113 113 ASN H H 113 10.285 9.742 0.543 1 1 1139 . 21 1 1 A 113 113 ASN HA H 113 4.483 4.877 -0.394 1 1 1144 . 21 1 1 A 113 113 ASN C C 113 174.590 175.282 -0.692 1 1 1145 . 21 1 1 A 113 113 ASN CA C 113 55.160 54.745 0.415 1 1 1146 . 21 1 1 A 113 113 ASN CB C 113 37.240 36.857 0.383 1 1 1147 . 21 1 1 A 113 113 ASN N N 113 129.510 127.342 2.168 1 1 1149 . 21 1 1 A 114 114 ARG H H 114 9.459 8.366 1.093 1 1 1150 . 21 1 1 A 114 114 ARG HA H 114 3.659 3.882 -0.223 1 1 1158 . 21 1 1 A 114 114 ARG C C 114 174.900 174.728 0.172 1 1 1159 . 21 1 1 A 114 114 ARG CA C 114 58.280 57.543 0.737 1 1 1160 . 21 1 1 A 114 114 ARG CB C 114 27.250 29.873 -2.623 1 1 1161 . 21 1 1 A 114 114 ARG N N 114 106.570 117.442 -10.872 1 1 1163 . 21 1 1 A 115 115 GLU H H 115 7.827 7.888 -0.061 1 1 1164 . 21 1 1 A 115 115 GLU HA H 115 5.153 4.862 0.291 1 1 1169 . 21 1 1 A 115 115 GLU C C 115 173.950 174.265 -0.315 1 1 1170 . 21 1 1 A 115 115 GLU CA C 115 52.990 52.995 -0.005 1 1 1171 . 21 1 1 A 115 115 GLU N N 115 119.780 119.637 0.143 1 1 1172 . 21 1 1 A 116 116 PRO HA H 116 3.983 4.577 -0.594 1 1 1177 . 21 1 1 A 116 116 PRO C C 116 177.780 175.979 1.801 1 1 1178 . 21 1 1 A 116 116 PRO CA C 116 62.910 62.681 0.229 1 1 1179 . 21 1 1 A 116 116 PRO CB C 116 31.200 32.066 -0.866 1 1 1180 . 21 1 1 A 117 117 ARG H H 117 8.414 8.487 -0.073 1 1 1181 . 21 1 1 A 117 117 ARG HA H 117 4.699 4.703 -0.004 1 1 1189 . 21 1 1 A 117 117 ARG C C 117 175.260 175.426 -0.166 1 1 1190 . 21 1 1 A 117 117 ARG CA C 117 52.990 54.225 -1.235 1 1 1191 . 21 1 1 A 117 117 ARG CB C 117 24.560 34.654 -10.094 1 1 1192 . 21 1 1 A 117 117 ARG N N 117 121.900 122.603 -0.703 1 1 1194 . 21 1 1 A 118 118 ASN H H 118 8.741 8.671 0.070 1 1 1195 . 21 1 1 A 118 118 ASN HA H 118 4.731 4.913 -0.182 1 1 1200 . 21 1 1 A 118 118 ASN C C 118 175.220 175.358 -0.138 1 1 1201 . 21 1 1 A 118 118 ASN CA C 118 55.090 53.963 1.127 1 1 1202 . 21 1 1 A 118 118 ASN CB C 118 38.920 41.073 -2.153 1 1 1203 . 21 1 1 A 118 118 ASN N N 118 120.190 118.065 2.125 1 1 1205 . 21 1 1 A 119 119 ALA H H 119 7.372 7.643 -0.271 1 1 1206 . 21 1 1 A 119 119 ALA HA H 119 5.319 4.930 0.389 1 1 1210 . 21 1 1 A 119 119 ALA C C 119 176.720 175.071 1.649 1 1 1211 . 21 1 1 A 119 119 ALA CA C 119 52.120 51.409 0.711 1 1 1212 . 21 1 1 A 119 119 ALA CB C 119 21.460 22.453 -0.993 1 1 1213 . 21 1 1 A 119 119 ALA N N 119 120.380 118.328 2.052 1 1 1214 . 21 1 1 A 120 120 GLN H H 120 8.787 8.904 -0.117 1 1 1215 . 21 1 1 A 120 120 GLN HA H 120 4.505 4.634 -0.129 1 1 1222 . 21 1 1 A 120 120 GLN C C 120 174.380 174.030 0.350 1 1 1223 . 21 1 1 A 120 120 GLN CA C 120 56.030 55.130 0.900 1 1 1224 . 21 1 1 A 120 120 GLN CB C 120 32.790 32.709 0.081 1 1 1225 . 21 1 1 A 120 120 GLN N N 120 121.180 121.896 -0.716 1 1 1227 . 21 1 1 A 121 121 VAL H H 121 8.692 8.681 0.011 1 1 1228 . 21 1 1 A 121 121 VAL HA H 121 4.258 4.440 -0.182 1 1 1236 . 21 1 1 A 121 121 VAL C C 121 176.510 175.669 0.841 1 1 1237 . 21 1 1 A 121 121 VAL CA C 121 64.140 62.319 1.821 1 1 1238 . 21 1 1 A 121 121 VAL CB C 121 31.700 32.094 -0.394 1 1 1239 . 21 1 1 A 121 121 VAL N N 121 129.930 126.687 3.243 1 1 1240 . 21 1 1 A 122 122 MET H H 122 8.924 8.520 0.404 1 1 1241 . 21 1 1 A 122 122 MET HA H 122 4.419 4.993 -0.574 1 1 1249 . 21 1 1 A 122 122 MET C C 122 174.380 175.569 -1.189 1 1 1250 . 21 1 1 A 122 122 MET CA C 122 55.740 53.680 2.060 1 1 1251 . 21 1 1 A 122 122 MET CB C 122 35.140 32.662 2.478 1 1 1252 . 21 1 1 A 122 122 MET N N 122 129.560 126.714 2.846 1 1 1253 . 21 1 1 A 123 123 GLN H H 123 9.002 9.486 -0.484 1 1 1254 . 21 1 1 A 123 123 GLN HA H 123 4.823 4.958 -0.135 1 1 1261 . 21 1 1 A 123 123 GLN C C 123 175.530 175.236 0.294 1 1 1262 . 21 1 1 A 123 123 GLN CA C 123 53.570 54.282 -0.712 1 1 1263 . 21 1 1 A 123 123 GLN CB C 123 32.290 32.769 -0.479 1 1 1264 . 21 1 1 A 123 123 GLN N N 123 119.810 120.558 -0.748 1 1 1266 . 21 1 1 A 124 124 THR H H 124 9.036 8.633 0.403 1 1 1267 . 21 1 1 A 124 124 THR HA H 124 4.208 4.431 -0.223 1 1 1272 . 21 1 1 A 124 124 THR C C 124 175.300 175.706 -0.406 1 1 1273 . 21 1 1 A 124 124 THR CA C 124 65.510 63.906 1.604 1 1 1274 . 21 1 1 A 124 124 THR CB C 124 69.560 68.781 0.779 1 1 1275 . 21 1 1 A 124 124 THR N N 124 119.570 117.175 2.395 1 1 1276 . 21 1 1 A 125 125 GLY H H 125 9.921 9.579 0.342 1 1 1277 . 21 1 1 A 125 125 GLY HA2 H 125 4.552 4.037 0.515 1 1 1278 . 21 1 1 A 125 125 GLY HA3 H 125 3.480 4.040 -0.560 1 1 1279 . 21 1 1 A 125 125 GLY C C 125 174.650 174.173 0.477 1 1 1280 . 21 1 1 A 125 125 GLY CA C 125 44.710 44.931 -0.221 1 1 1281 . 21 1 1 A 125 125 GLY N N 125 117.920 117.030 0.890 1 1 1282 . 21 1 1 A 126 126 ASP H H 126 8.638 7.874 0.764 1 1 1283 . 21 1 1 A 126 126 ASP HA H 126 4.876 4.986 -0.110 1 1 1286 . 21 1 1 A 126 126 ASP C C 126 174.650 175.668 -1.018 1 1 1287 . 21 1 1 A 126 126 ASP CA C 126 56.140 54.154 1.986 1 1 1288 . 21 1 1 A 126 126 ASP CB C 126 41.690 42.156 -0.466 1 1 1289 . 21 1 1 A 126 126 ASP N N 126 123.190 121.245 1.945 1 1 1290 . 21 1 1 A 127 127 GLU H H 127 8.316 8.747 -0.431 1 1 1291 . 21 1 1 A 127 127 GLU HA H 127 5.341 5.386 -0.045 1 1 1296 . 21 1 1 A 127 127 GLU C C 127 175.990 174.926 1.064 1 1 1297 . 21 1 1 A 127 127 GLU CA C 127 54.440 54.782 -0.342 1 1 1298 . 21 1 1 A 127 127 GLU CB C 127 32.790 32.494 0.296 1 1 1299 . 21 1 1 A 127 127 GLU N N 127 118.480 119.150 -0.670 1 1 1300 . 21 1 1 A 128 128 ILE H H 128 9.910 9.400 0.510 1 1 1301 . 21 1 1 A 128 128 ILE HA H 128 5.334 5.035 0.299 1 1 1311 . 21 1 1 A 128 128 ILE C C 128 174.700 174.491 0.209 1 1 1312 . 21 1 1 A 128 128 ILE CA C 128 59.470 60.148 -0.678 1 1 1313 . 21 1 1 A 128 128 ILE CB C 128 40.600 39.623 0.977 1 1 1314 . 21 1 1 A 128 128 ILE N N 128 128.810 125.877 2.933 1 1 1315 . 21 1 1 A 129 129 GLN H H 129 9.502 9.584 -0.082 1 1 1316 . 21 1 1 A 129 129 GLN HA H 129 5.406 5.358 0.048 1 1 1323 . 21 1 1 A 129 129 GLN C C 129 174.950 174.692 0.258 1 1 1324 . 21 1 1 A 129 129 GLN CA C 129 54.800 54.411 0.389 1 1 1325 . 21 1 1 A 129 129 GLN CB C 129 30.690 32.509 -1.819 1 1 1326 . 21 1 1 A 129 129 GLN N N 129 129.270 127.149 2.121 1 1 1328 . 21 1 1 A 130 130 ILE H H 130 8.498 8.912 -0.414 1 1 1329 . 21 1 1 A 130 130 ILE HA H 130 4.116 4.342 -0.226 1 1 1339 . 21 1 1 A 130 130 ILE C C 130 174.860 175.710 -0.850 1 1 1340 . 21 1 1 A 130 130 ILE CA C 130 60.740 59.831 0.909 1 1 1341 . 21 1 1 A 130 130 ILE CB C 130 41.440 38.030 3.410 1 1 1342 . 21 1 1 A 130 130 ILE N N 130 129.070 127.921 1.149 1 1 1343 . 21 1 1 A 131 131 GLY H H 131 9.924 8.649 1.275 1 1 1344 . 21 1 1 A 131 131 GLY HA2 H 131 3.768 3.573 0.195 1 1 1345 . 21 1 1 A 131 131 GLY HA3 H 131 3.337 3.744 -0.407 1 1 1346 . 21 1 1 A 131 131 GLY C C 131 174.590 174.606 -0.016 1 1 1347 . 21 1 1 A 131 131 GLY CA C 131 46.700 47.162 -0.462 1 1 1348 . 21 1 1 A 131 131 GLY N N 131 116.470 117.777 -1.307 1 1 1349 . 21 1 1 A 132 132 LYS H H 132 7.141 8.691 -1.550 1 1 1350 . 21 1 1 A 132 132 LYS HA H 132 3.750 4.508 -0.758 1 1 1357 . 21 1 1 A 132 132 LYS C C 132 175.820 175.782 0.038 1 1 1358 . 21 1 1 A 132 132 LYS CA C 132 57.550 56.127 1.423 1 1 1359 . 21 1 1 A 132 132 LYS CB C 132 33.300 33.062 0.238 1 1 1360 . 21 1 1 A 132 132 LYS N N 132 122.960 125.839 -2.879 1 1 1361 . 21 1 1 A 133 133 PHE H H 133 8.360 7.262 1.098 1 1 1362 . 21 1 1 A 133 133 PHE HA H 133 4.601 5.498 -0.897 1 1 1370 . 21 1 1 A 133 133 PHE C C 133 174.910 173.511 1.399 1 1 1371 . 21 1 1 A 133 133 PHE CA C 133 58.600 54.899 3.701 1 1 1372 . 21 1 1 A 133 133 PHE CB C 133 40.510 42.482 -1.972 1 1 1373 . 21 1 1 A 133 133 PHE N N 133 118.170 116.099 2.071 1 1 1374 . 21 1 1 A 134 134 ARG H H 134 8.698 8.999 -0.301 1 1 1375 . 21 1 1 A 134 134 ARG HA H 134 5.212 5.326 -0.114 1 1 1383 . 21 1 1 A 134 134 ARG C C 134 175.150 174.959 0.191 1 1 1384 . 21 1 1 A 134 134 ARG CA C 134 55.060 54.860 0.200 1 1 1385 . 21 1 1 A 134 134 ARG CB C 134 33.550 33.453 0.097 1 1 1386 . 21 1 1 A 134 134 ARG N N 134 120.770 119.465 1.305 1 1 1388 . 21 1 1 A 135 135 LEU H H 135 9.904 9.566 0.338 1 1 1389 . 21 1 1 A 135 135 LEU HA H 135 5.544 5.366 0.178 1 1 1399 . 21 1 1 A 135 135 LEU C C 135 175.260 175.667 -0.407 1 1 1400 . 21 1 1 A 135 135 LEU CA C 135 53.930 53.611 0.319 1 1 1401 . 21 1 1 A 135 135 LEU CB C 135 45.550 45.411 0.139 1 1 1402 . 21 1 1 A 135 135 LEU N N 135 127.130 124.701 2.429 1 1 1403 . 21 1 1 A 136 136 VAL H H 136 9.350 9.436 -0.086 1 1 1404 . 21 1 1 A 136 136 VAL HA H 136 5.226 4.943 0.283 1 1 1412 . 21 1 1 A 136 136 VAL C C 136 174.050 174.430 -0.380 1 1 1413 . 21 1 1 A 136 136 VAL CA C 136 60.520 60.648 -0.128 1 1 1414 . 21 1 1 A 136 136 VAL CB C 136 34.890 33.831 1.059 1 1 1415 . 21 1 1 A 136 136 VAL N N 136 121.300 122.845 -1.545 1 1 1416 . 21 1 1 A 137 137 PHE H H 137 8.492 9.453 -0.961 1 1 1417 . 21 1 1 A 137 137 PHE HA H 137 5.007 4.755 0.252 1 1 1424 . 21 1 1 A 137 137 PHE C C 137 173.340 174.008 -0.668 1 1 1425 . 21 1 1 A 137 137 PHE CA C 137 57.010 56.987 0.023 1 1 1426 . 21 1 1 A 137 137 PHE CB C 137 41.770 40.412 1.358 1 1 1427 . 21 1 1 A 137 137 PHE N N 137 127.550 128.615 -1.065 1 1 1428 . 21 1 1 A 138 138 LEU H H 138 8.535 8.891 -0.356 1 1 1429 . 21 1 1 A 138 138 LEU HA H 138 4.345 5.246 -0.901 1 1 1439 . 21 1 1 A 138 138 LEU C C 138 173.390 175.122 -1.732 1 1 1440 . 21 1 1 A 138 138 LEU CA C 138 53.680 53.409 0.271 1 1 1441 . 21 1 1 A 138 138 LEU CB C 138 45.210 45.370 -0.160 1 1 1442 . 21 1 1 A 138 138 LEU N N 138 128.590 128.180 0.410 1 1 1443 . 21 1 1 A 139 139 ALA H H 139 7.502 8.732 -1.230 1 1 1444 . 21 1 1 A 139 139 ALA HA H 139 3.952 4.815 -0.863 1 1 1448 . 21 1 1 A 139 139 ALA C C 139 178.010 176.743 1.267 1 1 1449 . 21 1 1 A 139 139 ALA CA C 139 51.650 50.418 1.232 1 1 1450 . 21 1 1 A 139 139 ALA CB C 139 20.700 20.884 -0.184 1 1 1451 . 21 1 1 A 139 139 ALA N N 139 123.250 125.266 -2.016 1 1 1452 . 21 1 1 A 140 140 GLY H H 140 7.968 8.465 -0.497 1 1 1453 . 21 1 1 A 140 140 GLY HA2 H 140 4.202 4.131 0.071 1 1 1454 . 21 1 1 A 140 140 GLY HA3 H 140 3.595 4.141 -0.546 1 1 1455 . 21 1 1 A 140 140 GLY C C 140 171.240 174.312 -3.072 1 1 1456 . 21 1 1 A 140 140 GLY CA C 140 44.710 45.275 -0.565 1 1 1457 . 21 1 1 A 140 140 GLY N N 140 108.040 108.924 -0.884 1 1 1458 . 21 1 1 A 141 141 PRO HA H 141 4.460 4.585 -0.125 1 1 1463 . 21 1 1 A 141 141 PRO C C 141 176.150 176.088 0.062 1 1 1464 . 21 1 1 A 141 141 PRO CA C 141 63.230 62.697 0.533 1 1 1465 . 21 1 1 A 141 141 PRO CB C 141 32.370 32.988 -0.618 1 1 1466 . 21 1 1 A 142 142 ALA H H 142 8.496 8.416 0.080 1 1 1467 . 21 1 1 A 142 142 ALA HA H 142 4.363 4.213 0.150 1 1 1471 . 21 1 1 A 142 142 ALA C C 142 177.320 177.248 0.072 1 1 1472 . 21 1 1 A 142 142 ALA CA C 142 52.740 53.209 -0.469 1 1 1473 . 21 1 1 A 142 142 ALA CB C 142 19.780 19.412 0.368 1 1 1474 . 21 1 1 A 142 142 ALA N N 142 124.080 122.419 1.661 1 1 4 . 22 1 1 A 2 2 SER H H 2 8.404 9.061 -0.657 1 1 5 . 22 1 1 A 2 2 SER HA H 2 4.430 5.286 -0.856 1 1 8 . 22 1 1 A 2 2 SER C C 2 174.220 173.207 1.013 1 1 9 . 22 1 1 A 2 2 SER CA C 2 58.650 57.152 1.498 1 1 10 . 22 1 1 A 2 2 SER CB C 2 64.280 65.462 -1.182 1 1 11 . 22 1 1 A 2 2 SER N N 2 116.880 120.561 -3.681 1 1 12 . 22 1 1 A 3 3 ASP H H 3 8.314 9.199 -0.885 1 1 13 . 22 1 1 A 3 3 ASP HA H 3 4.594 5.253 -0.659 1 1 16 . 22 1 1 A 3 3 ASP C C 3 176.070 174.924 1.146 1 1 17 . 22 1 1 A 3 3 ASP CA C 3 54.580 52.233 2.347 1 1 18 . 22 1 1 A 3 3 ASP CB C 3 41.530 43.748 -2.218 1 1 19 . 22 1 1 A 3 3 ASP N N 3 122.210 124.170 -1.960 1 1 20 . 22 1 1 A 4 4 ASN H H 4 8.326 8.556 -0.230 1 1 21 . 22 1 1 A 4 4 ASN HA H 4 4.748 4.715 0.033 1 1 24 . 22 1 1 A 4 4 ASN C C 4 175.130 175.760 -0.630 1 1 25 . 22 1 1 A 4 4 ASN CA C 4 53.430 53.271 0.159 1 1 26 . 22 1 1 A 4 4 ASN CB C 4 38.920 39.257 -0.337 1 1 27 . 22 1 1 A 4 4 ASN N N 4 118.670 121.287 -2.617 1 1 28 . 22 1 1 A 5 5 ASN H H 5 8.467 8.712 -0.245 1 1 29 . 22 1 1 A 5 5 ASN HA H 5 4.702 4.782 -0.080 1 1 32 . 22 1 1 A 5 5 ASN C C 5 175.700 175.952 -0.252 1 1 33 . 22 1 1 A 5 5 ASN CA C 5 53.610 53.494 0.116 1 1 34 . 22 1 1 A 5 5 ASN CB C 5 39.090 39.261 -0.171 1 1 35 . 22 1 1 A 5 5 ASN N N 5 119.070 121.267 -2.197 1 1 36 . 22 1 1 A 6 6 GLY H H 6 8.333 8.678 -0.345 1 1 37 . 22 1 1 A 6 6 GLY HA2 H 6 3.960 4.008 -0.048 1 1 38 . 22 1 1 A 6 6 GLY HA3 H 6 3.960 4.009 -0.049 1 1 39 . 22 1 1 A 6 6 GLY C C 6 174.050 172.808 1.242 1 1 40 . 22 1 1 A 6 6 GLY CA C 6 45.390 45.574 -0.184 1 1 41 . 22 1 1 A 6 6 GLY N N 6 109.000 110.563 -1.563 1 1 42 . 22 1 1 A 7 7 THR H H 7 8.076 8.829 -0.753 1 1 43 . 22 1 1 A 7 7 THR HA H 7 4.591 4.786 -0.195 1 1 48 . 22 1 1 A 7 7 THR C C 7 172.840 173.331 -0.491 1 1 49 . 22 1 1 A 7 7 THR CA C 7 60.050 59.623 0.427 1 1 50 . 22 1 1 A 7 7 THR N N 7 116.910 118.232 -1.322 1 1 51 . 22 1 1 A 8 8 PRO HA H 8 4.414 4.476 -0.062 1 1 54 . 22 1 1 A 8 8 PRO C C 8 176.690 176.329 0.361 1 1 55 . 22 1 1 A 8 8 PRO CA C 8 63.090 62.984 0.106 1 1 56 . 22 1 1 A 8 8 PRO CB C 8 32.290 31.870 0.420 1 1 57 . 22 1 1 A 9 9 GLU H H 9 8.467 8.426 0.041 1 1 58 . 22 1 1 A 9 9 GLU HA H 9 4.527 4.605 -0.078 1 1 63 . 22 1 1 A 9 9 GLU C C 9 174.680 176.100 -1.420 1 1 64 . 22 1 1 A 9 9 GLU CA C 9 54.550 54.909 -0.359 1 1 65 . 22 1 1 A 9 9 GLU N N 9 122.910 119.569 3.341 1 1 66 . 22 1 1 A 10 10 PRO HA H 10 4.371 4.607 -0.236 1 1 71 . 22 1 1 A 10 10 PRO C C 10 176.820 175.422 1.398 1 1 72 . 22 1 1 A 10 10 PRO CA C 10 63.300 62.126 1.174 1 1 73 . 22 1 1 A 10 10 PRO CB C 10 32.290 33.022 -0.732 1 1 74 . 22 1 1 A 11 11 GLN H H 11 8.543 8.273 0.270 1 1 75 . 22 1 1 A 11 11 GLN HA H 11 4.334 4.845 -0.511 1 1 82 . 22 1 1 A 11 11 GLN C C 11 176.010 174.610 1.400 1 1 83 . 22 1 1 A 11 11 GLN CA C 11 55.710 54.431 1.279 1 1 84 . 22 1 1 A 11 11 GLN CB C 11 29.520 32.002 -2.482 1 1 85 . 22 1 1 A 11 11 GLN N N 11 121.100 119.193 1.907 1 1 87 . 22 1 1 A 12 12 VAL H H 12 8.201 8.267 -0.066 1 1 88 . 22 1 1 A 12 12 VAL HA H 12 4.144 4.734 -0.590 1 1 96 . 22 1 1 A 12 12 VAL C C 12 175.940 175.012 0.928 1 1 97 . 22 1 1 A 12 12 VAL CA C 12 62.110 61.215 0.895 1 1 98 . 22 1 1 A 12 12 VAL CB C 12 32.800 32.781 0.019 1 1 99 . 22 1 1 A 12 12 VAL N N 12 122.070 120.552 1.518 1 1 100 . 22 1 1 A 13 13 GLU H H 13 8.593 8.568 0.025 1 1 101 . 22 1 1 A 13 13 GLU HA H 13 4.329 4.539 -0.210 1 1 106 . 22 1 1 A 13 13 GLU C C 13 176.720 174.496 2.224 1 1 107 . 22 1 1 A 13 13 GLU CA C 13 56.830 55.735 1.095 1 1 108 . 22 1 1 A 13 13 GLU CB C 13 30.860 33.438 -2.578 1 1 109 . 22 1 1 A 13 13 GLU N N 13 124.660 126.344 -1.684 1 1 138 . 22 1 1 A 17 17 VAL H H 17 8.458 8.791 -0.333 1 1 139 . 22 1 1 A 17 17 VAL HA H 17 4.183 4.384 -0.201 1 1 147 . 22 1 1 A 17 17 VAL C C 17 175.950 175.706 0.244 1 1 148 . 22 1 1 A 17 17 VAL CA C 17 63.780 62.275 1.505 1 1 149 . 22 1 1 A 17 17 VAL CB C 17 32.460 31.342 1.118 1 1 150 . 22 1 1 A 17 17 VAL N N 17 124.860 126.691 -1.831 1 1 151 . 22 1 1 A 18 18 PHE H H 18 8.579 8.919 -0.340 1 1 152 . 22 1 1 A 18 18 PHE HA H 18 4.650 5.685 -1.035 1 1 160 . 22 1 1 A 18 18 PHE C C 18 173.450 174.081 -0.631 1 1 161 . 22 1 1 A 18 18 PHE CA C 18 57.480 55.009 2.471 1 1 162 . 22 1 1 A 18 18 PHE CB C 18 41.950 42.374 -0.424 1 1 163 . 22 1 1 A 18 18 PHE N N 18 127.160 123.883 3.277 1 1 164 . 22 1 1 A 19 19 ARG H H 19 7.920 8.851 -0.931 1 1 165 . 22 1 1 A 19 19 ARG HA H 19 4.196 4.594 -0.398 1 1 170 . 22 1 1 A 19 19 ARG C C 19 174.930 175.569 -0.639 1 1 171 . 22 1 1 A 19 19 ARG CA C 19 54.800 55.665 -0.865 1 1 172 . 22 1 1 A 19 19 ARG CB C 19 30.610 30.322 0.288 1 1 173 . 22 1 1 A 19 19 ARG N N 19 127.500 121.203 6.297 1 1 174 . 22 1 1 A 20 20 ALA H H 20 8.067 8.324 -0.257 1 1 175 . 22 1 1 A 20 20 ALA HA H 20 3.729 4.713 -0.984 1 1 179 . 22 1 1 A 20 20 ALA C C 20 177.630 179.139 -1.509 1 1 180 . 22 1 1 A 20 20 ALA CA C 20 53.280 51.587 1.693 1 1 181 . 22 1 1 A 20 20 ALA CB C 20 18.860 20.285 -1.425 1 1 182 . 22 1 1 A 20 20 ALA N N 20 126.460 128.002 -1.542 1 1 183 . 22 1 1 A 21 21 ASP H H 21 8.355 8.871 -0.516 1 1 184 . 22 1 1 A 21 21 ASP HA H 21 4.350 4.444 -0.094 1 1 187 . 22 1 1 A 21 21 ASP C C 21 176.720 176.636 0.084 1 1 188 . 22 1 1 A 21 21 ASP CA C 21 54.480 55.125 -0.645 1 1 189 . 22 1 1 A 21 21 ASP CB C 21 40.350 39.547 0.803 1 1 190 . 22 1 1 A 21 21 ASP N N 21 117.850 116.775 1.075 1 1 191 . 22 1 1 A 22 22 LEU H H 22 7.705 7.726 -0.021 1 1 192 . 22 1 1 A 22 22 LEU HA H 22 4.088 4.072 0.016 1 1 202 . 22 1 1 A 22 22 LEU C C 22 177.760 178.068 -0.308 1 1 203 . 22 1 1 A 22 22 LEU CA C 22 55.780 56.934 -1.154 1 1 204 . 22 1 1 A 22 22 LEU CB C 22 41.860 41.286 0.574 1 1 205 . 22 1 1 A 22 22 LEU N N 22 121.600 118.295 3.305 1 1 206 . 22 1 1 A 23 23 LEU H H 23 7.717 7.535 0.182 1 1 207 . 22 1 1 A 23 23 LEU HA H 23 4.166 4.232 -0.066 1 1 217 . 22 1 1 A 23 23 LEU C C 23 177.840 177.265 0.575 1 1 218 . 22 1 1 A 23 23 LEU CA C 23 55.960 56.743 -0.783 1 1 219 . 22 1 1 A 23 23 LEU CB C 23 41.950 41.116 0.834 1 1 220 . 22 1 1 A 23 23 LEU N N 23 120.360 119.469 0.891 1 1 221 . 22 1 1 A 24 24 LYS H H 24 7.933 7.883 0.050 1 1 222 . 22 1 1 A 24 24 LYS HA H 24 4.174 4.408 -0.234 1 1 229 . 22 1 1 A 24 24 LYS C C 24 177.190 178.831 -1.641 1 1 230 . 22 1 1 A 24 24 LYS CA C 24 57.050 56.544 0.506 1 1 231 . 22 1 1 A 24 24 LYS CB C 24 32.880 32.966 -0.086 1 1 232 . 22 1 1 A 24 24 LYS N N 24 121.120 117.968 3.152 1 1 233 . 22 1 1 A 25 25 GLU H H 25 8.160 7.781 0.379 1 1 234 . 22 1 1 A 25 25 GLU HA H 25 4.199 4.125 0.074 1 1 239 . 22 1 1 A 25 25 GLU C C 25 176.900 178.773 -1.873 1 1 240 . 22 1 1 A 25 25 GLU CA C 25 57.010 59.138 -2.128 1 1 241 . 22 1 1 A 25 25 GLU CB C 25 30.280 29.087 1.193 1 1 242 . 22 1 1 A 25 25 GLU N N 25 121.550 120.553 0.997 1 1 243 . 22 1 1 A 26 26 MET H H 26 8.270 8.081 0.189 1 1 244 . 22 1 1 A 26 26 MET HA H 26 4.360 4.192 0.168 1 1 252 . 22 1 1 A 26 26 MET C C 26 176.440 178.271 -1.831 1 1 253 . 22 1 1 A 26 26 MET CA C 26 56.180 58.601 -2.421 1 1 254 . 22 1 1 A 26 26 MET CB C 26 33.050 32.115 0.935 1 1 255 . 22 1 1 A 26 26 MET N N 26 120.730 119.675 1.055 1 1 256 . 22 1 1 A 27 27 GLU H H 27 8.297 7.858 0.439 1 1 257 . 22 1 1 A 27 27 GLU HA H 27 4.264 4.107 0.157 1 1 262 . 22 1 1 A 27 27 GLU C C 27 176.650 178.710 -2.060 1 1 263 . 22 1 1 A 27 27 GLU CA C 27 56.830 58.889 -2.059 1 1 264 . 22 1 1 A 27 27 GLU CB C 27 30.530 29.494 1.036 1 1 265 . 22 1 1 A 27 27 GLU N N 27 121.650 120.154 1.496 1 1 266 . 22 1 1 A 28 28 SER H H 28 8.279 7.961 0.318 1 1 267 . 22 1 1 A 28 28 SER HA H 28 4.473 4.209 0.264 1 1 270 . 22 1 1 A 28 28 SER C C 28 174.760 176.780 -2.020 1 1 271 . 22 1 1 A 28 28 SER CA C 28 58.460 61.257 -2.797 1 1 272 . 22 1 1 A 28 28 SER CB C 28 64.190 63.316 0.874 1 1 273 . 22 1 1 A 28 28 SER N N 28 116.610 115.542 1.068 1 1 274 . 22 1 1 A 29 29 SER H H 29 8.443 7.767 0.676 1 1 275 . 22 1 1 A 29 29 SER HA H 29 4.541 4.286 0.255 1 1 278 . 22 1 1 A 29 29 SER C C 29 174.950 174.350 0.600 1 1 279 . 22 1 1 A 29 29 SER CA C 29 58.530 61.277 -2.747 1 1 280 . 22 1 1 A 29 29 SER CB C 29 64.190 63.217 0.973 1 1 281 . 22 1 1 A 29 29 SER N N 29 118.290 115.144 3.146 1 1 282 . 22 1 1 A 30 30 THR H H 30 8.220 7.881 0.339 1 1 283 . 22 1 1 A 30 30 THR HA H 30 4.372 3.934 0.438 1 1 288 . 22 1 1 A 30 30 THR C C 30 175.280 173.442 1.838 1 1 289 . 22 1 1 A 30 30 THR CA C 30 62.260 64.158 -1.898 1 1 290 . 22 1 1 A 30 30 THR CB C 30 69.900 67.089 2.811 1 1 291 . 22 1 1 A 30 30 THR N N 30 115.600 113.955 1.645 1 1 292 . 22 1 1 A 31 31 GLY H H 31 8.401 7.716 0.685 1 1 293 . 22 1 1 A 31 31 GLY HA2 H 31 4.005 4.024 -0.019 1 1 294 . 22 1 1 A 31 31 GLY HA3 H 31 4.005 4.027 -0.022 1 1 295 . 22 1 1 A 31 31 GLY C C 31 174.160 172.554 1.606 1 1 296 . 22 1 1 A 31 31 GLY CA C 31 45.470 45.731 -0.261 1 1 297 . 22 1 1 A 31 31 GLY N N 31 111.270 107.501 3.769 1 1 298 . 22 1 1 A 32 32 THR H H 32 8.034 8.802 -0.768 1 1 299 . 22 1 1 A 32 32 THR HA H 32 4.319 4.633 -0.314 1 1 304 . 22 1 1 A 32 32 THR C C 32 174.130 174.511 -0.381 1 1 305 . 22 1 1 A 32 32 THR CA C 32 61.710 63.489 -1.779 1 1 306 . 22 1 1 A 32 32 THR CB C 32 70.150 68.971 1.179 1 1 307 . 22 1 1 A 32 32 THR N N 32 113.770 120.813 -7.043 1 1 308 . 22 1 1 A 33 33 ALA H H 33 8.410 8.597 -0.187 1 1 309 . 22 1 1 A 33 33 ALA HA H 33 4.581 4.789 -0.208 1 1 313 . 22 1 1 A 33 33 ALA C C 33 175.490 175.464 0.026 1 1 314 . 22 1 1 A 33 33 ALA CA C 33 50.680 49.016 1.664 1 1 315 . 22 1 1 A 33 33 ALA N N 33 128.320 129.381 -1.061 1 1 316 . 22 1 1 A 34 34 PRO HA H 34 4.389 4.548 -0.159 1 1 321 . 22 1 1 A 34 34 PRO C C 34 176.650 177.013 -0.363 1 1 322 . 22 1 1 A 34 34 PRO CA C 34 63.090 62.449 0.641 1 1 323 . 22 1 1 A 34 34 PRO CB C 34 32.210 31.961 0.249 1 1 324 . 22 1 1 A 35 35 ALA H H 35 8.433 8.296 0.137 1 1 325 . 22 1 1 A 35 35 ALA HA H 35 4.275 4.317 -0.042 1 1 329 . 22 1 1 A 35 35 ALA C C 35 177.730 176.822 0.908 1 1 330 . 22 1 1 A 35 35 ALA CA C 35 52.590 53.074 -0.484 1 1 331 . 22 1 1 A 35 35 ALA CB C 35 19.450 19.201 0.249 1 1 332 . 22 1 1 A 35 35 ALA N N 35 124.330 125.004 -0.674 1 1 333 . 22 1 1 A 36 36 SER H H 36 8.259 8.741 -0.482 1 1 334 . 22 1 1 A 36 36 SER HA H 36 4.474 4.759 -0.285 1 1 337 . 22 1 1 A 36 36 SER C C 36 174.860 174.011 0.849 1 1 338 . 22 1 1 A 36 36 SER CA C 36 58.130 58.081 0.049 1 1 339 . 22 1 1 A 36 36 SER CB C 36 64.190 62.811 1.379 1 1 340 . 22 1 1 A 36 36 SER N N 36 114.560 120.479 -5.919 1 1 341 . 22 1 1 A 37 37 THR H H 37 8.325 7.958 0.367 1 1 342 . 22 1 1 A 37 37 THR HA H 37 4.281 5.020 -0.739 1 1 346 . 22 1 1 A 37 37 THR C C 37 175.110 175.828 -0.718 1 1 347 . 22 1 1 A 37 37 THR CA C 37 62.260 60.209 2.051 1 1 348 . 22 1 1 A 37 37 THR CB C 37 70.150 70.935 -0.785 1 1 349 . 22 1 1 A 37 37 THR N N 37 115.300 123.118 -7.818 1 1 350 . 22 1 1 A 38 38 GLY H H 38 8.511 8.738 -0.227 1 1 351 . 22 1 1 A 38 38 GLY HA2 H 38 3.975 3.903 0.072 1 1 352 . 22 1 1 A 38 38 GLY HA3 H 38 3.809 3.907 -0.098 1 1 353 . 22 1 1 A 38 38 GLY C C 38 174.470 174.716 -0.246 1 1 354 . 22 1 1 A 38 38 GLY CA C 38 45.470 45.459 0.011 1 1 355 . 22 1 1 A 38 38 GLY N N 38 110.440 113.978 -3.538 1 1 356 . 22 1 1 A 39 39 ALA H H 39 8.245 7.868 0.377 1 1 357 . 22 1 1 A 39 39 ALA HA H 39 4.164 4.324 -0.160 1 1 361 . 22 1 1 A 39 39 ALA C C 39 177.590 178.406 -0.816 1 1 362 . 22 1 1 A 39 39 ALA CA C 39 52.560 52.130 0.430 1 1 363 . 22 1 1 A 39 39 ALA CB C 39 19.360 19.069 0.291 1 1 364 . 22 1 1 A 39 39 ALA N N 39 124.080 120.782 3.298 1 1 365 . 22 1 1 A 40 40 GLU H H 40 8.721 8.847 -0.126 1 1 366 . 22 1 1 A 40 40 GLU HA H 40 4.083 4.196 -0.113 1 1 371 . 22 1 1 A 40 40 GLU C C 40 176.320 176.905 -0.585 1 1 372 . 22 1 1 A 40 40 GLU CA C 40 57.910 57.868 0.042 1 1 373 . 22 1 1 A 40 40 GLU CB C 40 29.520 28.360 1.160 1 1 374 . 22 1 1 A 40 40 GLU N N 40 118.270 118.139 0.131 1 1 375 . 22 1 1 A 41 41 ASN H H 41 8.226 7.801 0.425 1 1 376 . 22 1 1 A 41 41 ASN HA H 41 4.716 4.887 -0.171 1 1 381 . 22 1 1 A 41 41 ASN C C 41 174.800 175.000 -0.200 1 1 382 . 22 1 1 A 41 41 ASN CA C 41 52.880 52.474 0.406 1 1 383 . 22 1 1 A 41 41 ASN CB C 41 38.840 38.709 0.131 1 1 384 . 22 1 1 A 41 41 ASN N N 41 117.620 118.656 -1.036 1 1 386 . 22 1 1 A 42 42 LEU H H 42 7.629 7.984 -0.355 1 1 387 . 22 1 1 A 42 42 LEU HA H 42 4.418 3.964 0.454 1 1 397 . 22 1 1 A 42 42 LEU C C 42 174.610 176.935 -2.325 1 1 398 . 22 1 1 A 42 42 LEU CA C 42 53.170 55.390 -2.220 1 1 399 . 22 1 1 A 42 42 LEU N N 42 123.010 118.298 4.712 1 1 400 . 22 1 1 A 43 43 PRO HA H 43 4.366 4.240 0.126 1 1 407 . 22 1 1 A 43 43 PRO C C 43 177.050 178.382 -1.332 1 1 408 . 22 1 1 A 43 43 PRO CA C 43 62.260 66.302 -4.042 1 1 409 . 22 1 1 A 43 43 PRO CB C 43 32.380 31.472 0.908 1 1 410 . 22 1 1 A 44 44 ALA H H 44 8.552 7.578 0.974 1 1 411 . 22 1 1 A 44 44 ALA HA H 44 4.223 4.291 -0.068 1 1 415 . 22 1 1 A 44 44 ALA C C 44 179.500 177.844 1.656 1 1 416 . 22 1 1 A 44 44 ALA CA C 44 53.250 52.111 1.139 1 1 417 . 22 1 1 A 44 44 ALA CB C 44 18.190 19.392 -1.202 1 1 418 . 22 1 1 A 44 44 ALA N N 44 125.070 118.251 6.819 1 1 419 . 22 1 1 A 45 45 GLY H H 45 8.897 9.473 -0.576 1 1 420 . 22 1 1 A 45 45 GLY HA2 H 45 4.214 3.886 0.328 1 1 421 . 22 1 1 A 45 45 GLY HA3 H 45 3.833 3.903 -0.070 1 1 422 . 22 1 1 A 45 45 GLY C C 45 173.720 173.458 0.262 1 1 423 . 22 1 1 A 45 45 GLY CA C 45 45.790 45.760 0.030 1 1 424 . 22 1 1 A 45 45 GLY N N 45 110.600 109.265 1.335 1 1 425 . 22 1 1 A 46 46 SER H H 46 7.690 7.891 -0.201 1 1 426 . 22 1 1 A 46 46 SER HA H 46 5.338 5.370 -0.032 1 1 429 . 22 1 1 A 46 46 SER C C 46 172.990 172.005 0.985 1 1 430 . 22 1 1 A 46 46 SER CA C 46 57.810 57.867 -0.057 1 1 431 . 22 1 1 A 46 46 SER CB C 46 66.960 67.546 -0.586 1 1 432 . 22 1 1 A 46 46 SER N N 46 114.180 115.289 -1.109 1 1 433 . 22 1 1 A 47 47 ALA H H 47 8.435 8.788 -0.353 1 1 434 . 22 1 1 A 47 47 ALA HA H 47 4.338 4.896 -0.558 1 1 438 . 22 1 1 A 47 47 ALA C C 47 173.840 175.711 -1.871 1 1 439 . 22 1 1 A 47 47 ALA CA C 47 51.690 50.851 0.839 1 1 440 . 22 1 1 A 47 47 ALA CB C 47 24.570 22.758 1.812 1 1 441 . 22 1 1 A 47 47 ALA N N 47 120.900 123.676 -2.776 1 1 442 . 22 1 1 A 48 48 LEU H H 48 8.673 8.578 0.095 1 1 443 . 22 1 1 A 48 48 LEU HA H 48 5.021 5.151 -0.130 1 1 453 . 22 1 1 A 48 48 LEU C C 48 174.680 175.160 -0.480 1 1 454 . 22 1 1 A 48 48 LEU CA C 48 53.350 52.620 0.730 1 1 455 . 22 1 1 A 48 48 LEU CB C 48 48.150 46.233 1.917 1 1 456 . 22 1 1 A 48 48 LEU N N 48 120.170 115.968 4.202 1 1 457 . 22 1 1 A 49 49 LEU H H 49 8.686 9.175 -0.489 1 1 458 . 22 1 1 A 49 49 LEU HA H 49 5.403 5.417 -0.014 1 1 468 . 22 1 1 A 49 49 LEU C C 49 176.170 175.104 1.066 1 1 469 . 22 1 1 A 49 49 LEU CA C 49 52.810 53.122 -0.312 1 1 470 . 22 1 1 A 49 49 LEU CB C 49 46.310 44.470 1.840 1 1 471 . 22 1 1 A 49 49 LEU N N 49 120.170 119.784 0.386 1 1 472 . 22 1 1 A 50 50 VAL H H 50 8.874 9.388 -0.514 1 1 473 . 22 1 1 A 50 50 VAL HA H 50 4.971 5.053 -0.082 1 1 481 . 22 1 1 A 50 50 VAL C C 50 176.740 174.407 2.333 1 1 482 . 22 1 1 A 50 50 VAL CA C 50 59.940 59.709 0.231 1 1 483 . 22 1 1 A 50 50 VAL CB C 50 34.970 34.318 0.652 1 1 484 . 22 1 1 A 50 50 VAL N N 50 120.580 121.949 -1.369 1 1 485 . 22 1 1 A 51 51 VAL H H 51 8.984 9.387 -0.403 1 1 486 . 22 1 1 A 51 51 VAL HA H 51 4.155 4.079 0.076 1 1 494 . 22 1 1 A 51 51 VAL C C 51 176.050 176.024 0.026 1 1 495 . 22 1 1 A 51 51 VAL CA C 51 64.280 63.184 1.096 1 1 496 . 22 1 1 A 51 51 VAL CB C 51 31.280 31.334 -0.054 1 1 497 . 22 1 1 A 51 51 VAL N N 51 125.710 128.354 -2.644 1 1 498 . 22 1 1 A 52 52 LYS H H 52 9.444 9.556 -0.112 1 1 499 . 22 1 1 A 52 52 LYS HA H 52 4.450 4.324 0.126 1 1 506 . 22 1 1 A 52 52 LYS C C 52 176.150 175.726 0.424 1 1 507 . 22 1 1 A 52 52 LYS CA C 52 57.050 57.489 -0.439 1 1 508 . 22 1 1 A 52 52 LYS CB C 52 34.470 33.894 0.576 1 1 509 . 22 1 1 A 52 52 LYS N N 52 132.750 129.879 2.871 1 1 510 . 22 1 1 A 53 53 ARG H H 53 8.051 7.353 0.698 1 1 511 . 22 1 1 A 53 53 ARG HA H 53 4.685 4.819 -0.134 1 1 516 . 22 1 1 A 53 53 ARG C C 53 173.470 174.681 -1.211 1 1 517 . 22 1 1 A 53 53 ARG CA C 53 55.090 55.388 -0.298 1 1 518 . 22 1 1 A 53 53 ARG CB C 53 34.300 34.117 0.183 1 1 519 . 22 1 1 A 53 53 ARG N N 53 117.320 118.624 -1.304 1 1 520 . 22 1 1 A 54 54 GLY H H 54 8.377 8.344 0.033 1 1 521 . 22 1 1 A 54 54 GLY HA2 H 54 4.215 3.867 0.348 1 1 522 . 22 1 1 A 54 54 GLY HA3 H 54 3.503 3.871 -0.368 1 1 523 . 22 1 1 A 54 54 GLY C C 54 171.870 174.440 -2.570 1 1 524 . 22 1 1 A 54 54 GLY CA C 54 43.770 44.206 -0.436 1 1 525 . 22 1 1 A 54 54 GLY N N 54 110.960 112.141 -1.181 1 1 526 . 22 1 1 A 55 55 PRO HA H 55 4.255 4.297 -0.042 1 1 531 . 22 1 1 A 55 55 PRO C C 55 175.940 177.685 -1.745 1 1 532 . 22 1 1 A 55 55 PRO CA C 55 64.390 65.166 -0.776 1 1 533 . 22 1 1 A 55 55 PRO CB C 55 31.360 31.871 -0.511 1 1 534 . 22 1 1 A 56 56 ASN H H 56 8.202 8.588 -0.386 1 1 535 . 22 1 1 A 56 56 ASN HA H 56 4.685 4.843 -0.158 1 1 540 . 22 1 1 A 56 56 ASN C C 56 174.410 175.478 -1.068 1 1 541 . 22 1 1 A 56 56 ASN CA C 56 52.120 52.572 -0.452 1 1 542 . 22 1 1 A 56 56 ASN CB C 56 37.070 37.680 -0.610 1 1 543 . 22 1 1 A 56 56 ASN N N 56 114.760 113.596 1.164 1 1 545 . 22 1 1 A 57 57 ALA H H 57 7.283 7.596 -0.313 1 1 546 . 22 1 1 A 57 57 ALA HA H 57 3.618 4.126 -0.508 1 1 550 . 22 1 1 A 57 57 ALA C C 57 178.090 178.327 -0.237 1 1 551 . 22 1 1 A 57 57 ALA CA C 57 54.480 53.749 0.731 1 1 552 . 22 1 1 A 57 57 ALA CB C 57 17.760 18.676 -0.916 1 1 553 . 22 1 1 A 57 57 ALA N N 57 120.380 124.146 -3.766 1 1 554 . 22 1 1 A 58 58 GLY H H 58 9.052 9.090 -0.038 1 1 555 . 22 1 1 A 58 58 GLY HA2 H 58 4.449 4.007 0.442 1 1 556 . 22 1 1 A 58 58 GLY HA3 H 58 3.415 4.012 -0.597 1 1 557 . 22 1 1 A 58 58 GLY C C 58 174.610 174.279 0.331 1 1 558 . 22 1 1 A 58 58 GLY CA C 58 44.530 45.062 -0.532 1 1 559 . 22 1 1 A 58 58 GLY N N 58 112.180 110.471 1.709 1 1 560 . 22 1 1 A 59 59 ALA H H 59 8.171 7.678 0.493 1 1 561 . 22 1 1 A 59 59 ALA HA H 59 4.081 4.271 -0.190 1 1 565 . 22 1 1 A 59 59 ALA C C 59 175.220 176.439 -1.219 1 1 566 . 22 1 1 A 59 59 ALA CA C 59 53.170 51.926 1.244 1 1 567 . 22 1 1 A 59 59 ALA CB C 59 19.360 19.872 -0.512 1 1 568 . 22 1 1 A 59 59 ALA N N 59 124.650 123.852 0.798 1 1 569 . 22 1 1 A 60 60 ARG H H 60 7.751 8.691 -0.940 1 1 570 . 22 1 1 A 60 60 ARG HA H 60 5.105 5.208 -0.103 1 1 575 . 22 1 1 A 60 60 ARG C C 60 175.320 174.431 0.889 1 1 576 . 22 1 1 A 60 60 ARG CA C 60 54.150 54.244 -0.094 1 1 577 . 22 1 1 A 60 60 ARG CB C 60 34.130 33.501 0.629 1 1 578 . 22 1 1 A 60 60 ARG N N 60 116.920 118.400 -1.480 1 1 579 . 22 1 1 A 61 61 PHE H H 61 9.213 9.281 -0.068 1 1 580 . 22 1 1 A 61 61 PHE HA H 61 4.788 5.055 -0.267 1 1 587 . 22 1 1 A 61 61 PHE C C 61 173.930 175.296 -1.366 1 1 588 . 22 1 1 A 61 61 PHE CA C 61 56.500 56.574 -0.074 1 1 589 . 22 1 1 A 61 61 PHE CB C 61 41.860 42.015 -0.155 1 1 590 . 22 1 1 A 61 61 PHE N N 61 121.090 120.104 0.986 1 1 591 . 22 1 1 A 62 62 LEU H H 62 8.638 8.753 -0.115 1 1 592 . 22 1 1 A 62 62 LEU HA H 62 4.566 4.926 -0.360 1 1 602 . 22 1 1 A 62 62 LEU C C 62 176.570 176.414 0.156 1 1 603 . 22 1 1 A 62 62 LEU CA C 62 55.130 53.425 1.705 1 1 604 . 22 1 1 A 62 62 LEU CB C 62 43.620 43.310 0.310 1 1 605 . 22 1 1 A 62 62 LEU N N 62 125.630 122.187 3.443 1 1 606 . 22 1 1 A 63 63 LEU H H 63 8.929 9.034 -0.105 1 1 607 . 22 1 1 A 63 63 LEU HA H 63 4.852 4.749 0.103 1 1 617 . 22 1 1 A 63 63 LEU C C 63 175.070 176.438 -1.368 1 1 618 . 22 1 1 A 63 63 LEU CA C 63 53.170 54.732 -1.562 1 1 619 . 22 1 1 A 63 63 LEU CB C 63 42.110 41.168 0.942 1 1 620 . 22 1 1 A 63 63 LEU N N 63 125.980 124.022 1.958 1 1 621 . 22 1 1 A 64 64 ASP H H 64 8.601 9.100 -0.499 1 1 622 . 22 1 1 A 64 64 ASP HA H 64 4.736 4.967 -0.231 1 1 625 . 22 1 1 A 64 64 ASP C C 64 175.130 175.600 -0.470 1 1 626 . 22 1 1 A 64 64 ASP CA C 64 53.640 53.477 0.163 1 1 627 . 22 1 1 A 64 64 ASP CB C 64 41.020 42.513 -1.493 1 1 628 . 22 1 1 A 64 64 ASP N N 64 120.910 126.325 -5.415 1 1 629 . 22 1 1 A 65 65 GLN H H 65 7.497 7.527 -0.030 1 1 630 . 22 1 1 A 65 65 GLN HA H 65 4.856 4.708 0.148 1 1 637 . 22 1 1 A 65 65 GLN C C 65 173.550 175.438 -1.888 1 1 638 . 22 1 1 A 65 65 GLN CA C 65 52.780 53.582 -0.802 1 1 639 . 22 1 1 A 65 65 GLN N N 65 117.420 116.938 0.482 1 1 641 . 22 1 1 A 66 66 PRO HA H 66 4.190 4.851 -0.661 1 1 648 . 22 1 1 A 66 66 PRO C C 66 177.400 176.556 0.844 1 1 649 . 22 1 1 A 66 66 PRO CA C 66 66.810 64.323 2.487 1 1 650 . 22 1 1 A 66 66 PRO CB C 66 32.370 31.946 0.424 1 1 651 . 22 1 1 A 67 67 THR H H 67 7.647 7.474 0.173 1 1 652 . 22 1 1 A 67 67 THR HA H 67 4.811 5.293 -0.482 1 1 657 . 22 1 1 A 67 67 THR C C 67 173.280 173.101 0.179 1 1 658 . 22 1 1 A 67 67 THR CA C 67 62.830 61.139 1.691 1 1 659 . 22 1 1 A 67 67 THR CB C 67 71.740 71.819 -0.079 1 1 660 . 22 1 1 A 67 67 THR N N 67 109.270 112.207 -2.937 1 1 661 . 22 1 1 A 68 68 THR H H 68 8.919 9.445 -0.526 1 1 662 . 22 1 1 A 68 68 THR HA H 68 4.968 5.139 -0.171 1 1 667 . 22 1 1 A 68 68 THR C C 68 175.090 174.187 0.903 1 1 668 . 22 1 1 A 68 68 THR CA C 68 61.820 61.758 0.062 1 1 669 . 22 1 1 A 68 68 THR CB C 68 70.730 70.843 -0.113 1 1 670 . 22 1 1 A 68 68 THR N N 68 125.610 122.994 2.616 1 1 671 . 22 1 1 A 69 69 THR H H 69 10.398 8.837 1.561 1 1 672 . 22 1 1 A 69 69 THR HA H 69 4.491 5.029 -0.538 1 1 677 . 22 1 1 A 69 69 THR C C 69 173.140 174.020 -0.880 1 1 678 . 22 1 1 A 69 69 THR CA C 69 61.790 60.925 0.865 1 1 679 . 22 1 1 A 69 69 THR CB C 69 70.820 70.263 0.557 1 1 680 . 22 1 1 A 69 69 THR N N 69 121.520 119.168 2.352 1 1 681 . 22 1 1 A 70 70 ALA H H 70 8.722 8.913 -0.191 1 1 682 . 22 1 1 A 70 70 ALA HA H 70 5.696 5.246 0.450 1 1 686 . 22 1 1 A 70 70 ALA C C 70 175.840 175.589 0.251 1 1 687 . 22 1 1 A 70 70 ALA CA C 70 50.030 51.036 -1.006 1 1 688 . 22 1 1 A 70 70 ALA CB C 70 22.300 23.728 -1.428 1 1 689 . 22 1 1 A 70 70 ALA N N 70 122.410 125.305 -2.895 1 1 690 . 22 1 1 A 71 71 GLY H H 71 8.430 8.157 0.273 1 1 691 . 22 1 1 A 71 71 GLY HA2 H 71 4.474 4.014 0.460 1 1 692 . 22 1 1 A 71 71 GLY HA3 H 71 3.903 4.225 -0.322 1 1 693 . 22 1 1 A 71 71 GLY C C 71 170.540 170.937 -0.397 1 1 694 . 22 1 1 A 71 71 GLY CA C 71 46.300 44.780 1.520 1 1 695 . 22 1 1 A 71 71 GLY N N 71 108.960 106.802 2.158 1 1 696 . 22 1 1 A 72 72 ARG H H 72 8.341 8.505 -0.164 1 1 697 . 22 1 1 A 72 72 ARG HA H 72 4.481 4.903 -0.422 1 1 702 . 22 1 1 A 72 72 ARG C C 72 175.720 174.885 0.835 1 1 703 . 22 1 1 A 72 72 ARG CA C 72 54.800 55.039 -0.239 1 1 704 . 22 1 1 A 72 72 ARG CB C 72 32.540 32.842 -0.302 1 1 705 . 22 1 1 A 72 72 ARG N N 72 120.930 121.090 -0.160 1 1 706 . 22 1 1 A 73 73 HIS H H 73 9.295 8.697 0.598 1 1 707 . 22 1 1 A 73 73 HIS HA H 73 4.403 5.131 -0.728 1 1 712 . 22 1 1 A 73 73 HIS C C 73 176.860 174.573 2.287 1 1 713 . 22 1 1 A 73 73 HIS CA C 73 57.050 54.308 2.742 1 1 714 . 22 1 1 A 73 73 HIS N N 73 125.290 121.397 3.893 1 1 715 . 22 1 1 A 74 74 PRO HA H 74 4.373 4.253 0.120 1 1 722 . 22 1 1 A 74 74 PRO C C 74 177.590 177.694 -0.104 1 1 723 . 22 1 1 A 74 74 PRO CA C 74 64.930 65.149 -0.219 1 1 724 . 22 1 1 A 74 74 PRO CB C 74 32.030 31.954 0.076 1 1 725 . 22 1 1 A 75 75 GLU H H 75 10.575 8.740 1.835 1 1 726 . 22 1 1 A 75 75 GLU HA H 75 4.352 4.506 -0.154 1 1 731 . 22 1 1 A 75 75 GLU C C 75 177.320 176.549 0.771 1 1 732 . 22 1 1 A 75 75 GLU CA C 75 56.070 56.514 -0.444 1 1 733 . 22 1 1 A 75 75 GLU CB C 75 29.010 30.354 -1.344 1 1 734 . 22 1 1 A 75 75 GLU N N 75 119.840 117.594 2.246 1 1 735 . 22 1 1 A 76 76 SER H H 76 8.236 7.105 1.131 1 1 736 . 22 1 1 A 76 76 SER HA H 76 4.100 4.174 -0.074 1 1 739 . 22 1 1 A 76 76 SER C C 76 173.120 174.476 -1.356 1 1 740 . 22 1 1 A 76 76 SER CA C 76 60.160 60.397 -0.237 1 1 741 . 22 1 1 A 76 76 SER CB C 76 65.530 63.091 2.439 1 1 742 . 22 1 1 A 76 76 SER N N 76 118.860 116.838 2.022 1 1 743 . 22 1 1 A 77 77 ASP H H 77 8.541 8.941 -0.400 1 1 744 . 22 1 1 A 77 77 ASP HA H 77 4.344 4.362 -0.018 1 1 747 . 22 1 1 A 77 77 ASP C C 77 177.590 175.851 1.739 1 1 748 . 22 1 1 A 77 77 ASP CA C 77 58.380 56.926 1.454 1 1 749 . 22 1 1 A 77 77 ASP CB C 77 42.110 40.598 1.512 1 1 750 . 22 1 1 A 77 77 ASP N N 77 126.720 125.370 1.350 1 1 751 . 22 1 1 A 78 78 ILE H H 78 8.571 8.290 0.281 1 1 752 . 22 1 1 A 78 78 ILE HA H 78 3.563 4.008 -0.445 1 1 762 . 22 1 1 A 78 78 ILE C C 78 172.930 174.296 -1.366 1 1 763 . 22 1 1 A 78 78 ILE CA C 78 60.880 60.508 0.372 1 1 764 . 22 1 1 A 78 78 ILE CB C 78 37.410 38.614 -1.204 1 1 765 . 22 1 1 A 78 78 ILE N N 78 120.210 118.436 1.774 1 1 766 . 22 1 1 A 79 79 PHE H H 79 8.018 9.013 -0.995 1 1 767 . 22 1 1 A 79 79 PHE HA H 79 5.018 4.843 0.175 1 1 775 . 22 1 1 A 79 79 PHE C C 79 174.130 173.917 0.213 1 1 776 . 22 1 1 A 79 79 PHE CA C 79 55.780 56.485 -0.705 1 1 777 . 22 1 1 A 79 79 PHE CB C 79 39.170 41.017 -1.847 1 1 778 . 22 1 1 A 79 79 PHE N N 79 127.300 128.860 -1.560 1 1 779 . 22 1 1 A 80 80 LEU H H 80 7.695 8.013 -0.318 1 1 780 . 22 1 1 A 80 80 LEU HA H 80 3.619 4.581 -0.962 1 1 790 . 22 1 1 A 80 80 LEU C C 80 173.720 174.139 -0.419 1 1 791 . 22 1 1 A 80 80 LEU CA C 80 52.340 52.663 -0.323 1 1 792 . 22 1 1 A 80 80 LEU CB C 80 41.770 44.353 -2.583 1 1 793 . 22 1 1 A 80 80 LEU N N 80 131.810 127.866 3.944 1 1 794 . 22 1 1 A 81 81 ASP H H 81 7.974 8.924 -0.950 1 1 795 . 22 1 1 A 81 81 ASP HA H 81 4.141 5.040 -0.899 1 1 798 . 22 1 1 A 81 81 ASP C C 81 175.130 174.599 0.531 1 1 799 . 22 1 1 A 81 81 ASP CA C 81 53.210 52.749 0.461 1 1 800 . 22 1 1 A 81 81 ASP CB C 81 39.930 42.883 -2.953 1 1 801 . 22 1 1 A 81 81 ASP N N 81 121.130 125.142 -4.012 1 1 802 . 22 1 1 A 82 82 ASP H H 82 7.583 8.575 -0.992 1 1 803 . 22 1 1 A 82 82 ASP HA H 82 4.859 5.056 -0.197 1 1 806 . 22 1 1 A 82 82 ASP C C 82 176.760 175.652 1.108 1 1 807 . 22 1 1 A 82 82 ASP CA C 82 54.980 52.322 2.658 1 1 808 . 22 1 1 A 82 82 ASP CB C 82 39.170 43.795 -4.625 1 1 809 . 22 1 1 A 82 82 ASP N N 82 121.540 125.992 -4.452 1 1 810 . 22 1 1 A 83 83 VAL H H 83 8.344 8.487 -0.143 1 1 811 . 22 1 1 A 83 83 VAL HA H 83 4.012 3.973 0.039 1 1 819 . 22 1 1 A 83 83 VAL C C 83 174.860 176.383 -1.523 1 1 820 . 22 1 1 A 83 83 VAL CA C 83 65.330 64.186 1.144 1 1 821 . 22 1 1 A 83 83 VAL CB C 83 31.530 32.397 -0.867 1 1 822 . 22 1 1 A 83 83 VAL N N 83 122.260 120.423 1.837 1 1 823 . 22 1 1 A 84 84 THR H H 84 8.268 7.872 0.396 1 1 824 . 22 1 1 A 84 84 THR HA H 84 4.540 5.093 -0.553 1 1 828 . 22 1 1 A 84 84 THR C C 84 175.360 173.793 1.567 1 1 829 . 22 1 1 A 84 84 THR CA C 84 63.810 61.530 2.280 1 1 830 . 22 1 1 A 84 84 THR CB C 84 70.900 72.635 -1.735 1 1 831 . 22 1 1 A 84 84 THR N N 84 110.620 113.417 -2.797 1 1 832 . 22 1 1 A 85 85 VAL H H 85 8.579 8.603 -0.024 1 1 833 . 22 1 1 A 85 85 VAL HA H 85 4.254 4.378 -0.124 1 1 841 . 22 1 1 A 85 85 VAL C C 85 177.070 175.644 1.426 1 1 842 . 22 1 1 A 85 85 VAL CA C 85 61.930 62.837 -0.907 1 1 843 . 22 1 1 A 85 85 VAL CB C 85 32.450 32.509 -0.059 1 1 844 . 22 1 1 A 85 85 VAL N N 85 126.860 126.026 0.834 1 1 845 . 22 1 1 A 86 86 SER H H 86 11.668 8.908 2.760 1 1 846 . 22 1 1 A 86 86 SER HA H 86 5.203 5.198 0.005 1 1 849 . 22 1 1 A 86 86 SER C C 86 175.470 175.070 0.400 1 1 850 . 22 1 1 A 86 86 SER CA C 86 61.600 56.930 4.670 1 1 851 . 22 1 1 A 86 86 SER CB C 86 64.270 65.466 -1.196 1 1 852 . 22 1 1 A 86 86 SER N N 86 128.670 119.707 8.963 1 1 853 . 22 1 1 A 87 87 ARG H H 87 10.946 9.002 1.944 1 1 854 . 22 1 1 A 87 87 ARG HA H 87 5.179 3.958 1.221 1 1 862 . 22 1 1 A 87 87 ARG C C 87 177.110 175.934 1.176 1 1 863 . 22 1 1 A 87 87 ARG CA C 87 60.810 58.512 2.298 1 1 864 . 22 1 1 A 87 87 ARG CB C 87 29.010 29.933 -0.923 1 1 865 . 22 1 1 A 87 87 ARG N N 87 126.810 122.703 4.107 1 1 867 . 22 1 1 A 88 88 ARG H H 88 7.946 7.751 0.195 1 1 868 . 22 1 1 A 88 88 ARG HA H 88 4.459 4.661 -0.202 1 1 876 . 22 1 1 A 88 88 ARG C C 88 172.990 175.769 -2.779 1 1 877 . 22 1 1 A 88 88 ARG CA C 88 55.060 55.911 -0.851 1 1 878 . 22 1 1 A 88 88 ARG CB C 88 29.770 31.591 -1.821 1 1 879 . 22 1 1 A 88 88 ARG N N 88 115.670 118.428 -2.758 1 1 881 . 22 1 1 A 89 89 HIS H H 89 7.613 8.534 -0.921 1 1 882 . 22 1 1 A 89 89 HIS HA H 89 4.437 4.885 -0.448 1 1 888 . 22 1 1 A 89 89 HIS C C 89 174.050 174.934 -0.884 1 1 889 . 22 1 1 A 89 89 HIS CA C 89 58.420 58.668 -0.248 1 1 890 . 22 1 1 A 89 89 HIS CB C 89 32.620 31.422 1.198 1 1 891 . 22 1 1 A 89 89 HIS N N 89 124.000 125.482 -1.482 1 1 893 . 22 1 1 A 90 90 ALA H H 90 8.454 7.365 1.089 1 1 894 . 22 1 1 A 90 90 ALA HA H 90 5.529 4.586 0.943 1 1 898 . 22 1 1 A 90 90 ALA C C 90 176.260 174.844 1.416 1 1 899 . 22 1 1 A 90 90 ALA CA C 90 50.240 51.366 -1.126 1 1 900 . 22 1 1 A 90 90 ALA CB C 90 23.220 22.583 0.637 1 1 901 . 22 1 1 A 90 90 ALA N N 90 116.480 118.005 -1.525 1 1 902 . 22 1 1 A 91 91 GLU H H 91 9.216 9.018 0.198 1 1 903 . 22 1 1 A 91 91 GLU HA H 91 4.931 5.089 -0.158 1 1 908 . 22 1 1 A 91 91 GLU C C 91 173.910 174.119 -0.209 1 1 909 . 22 1 1 A 91 91 GLU CA C 91 54.690 54.490 0.200 1 1 910 . 22 1 1 A 91 91 GLU CB C 91 34.720 33.443 1.277 1 1 911 . 22 1 1 A 91 91 GLU N N 91 118.140 117.111 1.029 1 1 912 . 22 1 1 A 92 92 PHE H H 92 9.330 9.436 -0.106 1 1 913 . 22 1 1 A 92 92 PHE HA H 92 5.502 5.414 0.088 1 1 921 . 22 1 1 A 92 92 PHE C C 92 176.650 175.067 1.583 1 1 922 . 22 1 1 A 92 92 PHE CA C 92 56.760 56.700 0.060 1 1 923 . 22 1 1 A 92 92 PHE CB C 92 41.690 41.020 0.670 1 1 924 . 22 1 1 A 92 92 PHE N N 92 119.490 121.207 -1.717 1 1 925 . 22 1 1 A 93 93 ARG H H 93 9.846 9.243 0.603 1 1 926 . 22 1 1 A 93 93 ARG HA H 93 5.610 5.056 0.554 1 1 934 . 22 1 1 A 93 93 ARG C C 93 175.010 175.298 -0.288 1 1 935 . 22 1 1 A 93 93 ARG CA C 93 54.580 55.069 -0.489 1 1 936 . 22 1 1 A 93 93 ARG CB C 93 34.220 32.098 2.122 1 1 937 . 22 1 1 A 93 93 ARG N N 93 127.300 122.502 4.798 1 1 939 . 22 1 1 A 94 94 ILE H H 94 8.521 9.319 -0.798 1 1 940 . 22 1 1 A 94 94 ILE HA H 94 4.410 5.323 -0.913 1 1 950 . 22 1 1 A 94 94 ILE C C 94 176.420 174.877 1.543 1 1 951 . 22 1 1 A 94 94 ILE CA C 94 61.130 60.361 0.769 1 1 952 . 22 1 1 A 94 94 ILE CB C 94 38.830 39.215 -0.385 1 1 953 . 22 1 1 A 94 94 ILE N N 94 121.680 125.573 -3.893 1 1 954 . 22 1 1 A 95 95 ASN H H 95 8.847 8.776 0.071 1 1 955 . 22 1 1 A 95 95 ASN HA H 95 4.796 5.105 -0.309 1 1 960 . 22 1 1 A 95 95 ASN C C 95 174.430 174.819 -0.389 1 1 961 . 22 1 1 A 95 95 ASN CA C 95 52.560 51.660 0.900 1 1 962 . 22 1 1 A 95 95 ASN CB C 95 40.510 41.072 -0.562 1 1 963 . 22 1 1 A 95 95 ASN N N 95 127.100 124.744 2.356 1 1 965 . 22 1 1 A 96 96 GLU H H 96 9.303 9.415 -0.112 1 1 966 . 22 1 1 A 96 96 GLU HA H 96 3.768 4.014 -0.246 1 1 971 . 22 1 1 A 96 96 GLU C C 96 176.280 176.449 -0.169 1 1 972 . 22 1 1 A 96 96 GLU CA C 96 57.150 57.542 -0.392 1 1 973 . 22 1 1 A 96 96 GLU CB C 96 27.590 27.997 -0.407 1 1 974 . 22 1 1 A 96 96 GLU N N 96 125.150 124.522 0.628 1 1 975 . 22 1 1 A 97 97 GLY H H 97 7.937 8.474 -0.537 1 1 976 . 22 1 1 A 97 97 GLY HA2 H 97 4.042 3.628 0.414 1 1 977 . 22 1 1 A 97 97 GLY HA3 H 97 3.450 3.761 -0.311 1 1 978 . 22 1 1 A 97 97 GLY C C 97 172.990 173.455 -0.465 1 1 979 . 22 1 1 A 97 97 GLY CA C 97 45.390 45.169 0.221 1 1 980 . 22 1 1 A 97 97 GLY N N 97 104.330 104.477 -0.147 1 1 981 . 22 1 1 A 98 98 GLU H H 98 7.557 7.843 -0.286 1 1 982 . 22 1 1 A 98 98 GLU HA H 98 4.591 4.532 0.059 1 1 987 . 22 1 1 A 98 98 GLU C C 98 174.530 175.718 -1.188 1 1 988 . 22 1 1 A 98 98 GLU CA C 98 54.770 55.429 -0.659 1 1 989 . 22 1 1 A 98 98 GLU CB C 98 32.290 31.198 1.092 1 1 990 . 22 1 1 A 98 98 GLU N N 98 119.350 120.107 -0.757 1 1 991 . 22 1 1 A 99 99 PHE H H 99 9.412 9.102 0.310 1 1 992 . 22 1 1 A 99 99 PHE HA H 99 5.007 5.246 -0.239 1 1 999 . 22 1 1 A 99 99 PHE C C 99 174.050 175.479 -1.429 1 1 1000 . 22 1 1 A 99 99 PHE CA C 99 57.260 56.886 0.374 1 1 1001 . 22 1 1 A 99 99 PHE CB C 99 42.110 41.010 1.100 1 1 1002 . 22 1 1 A 99 99 PHE N N 99 122.550 122.428 0.122 1 1 1003 . 22 1 1 A 100 100 GLU H H 100 9.444 9.462 -0.018 1 1 1004 . 22 1 1 A 100 100 GLU HA H 100 5.145 5.094 0.051 1 1 1009 . 22 1 1 A 100 100 GLU C C 100 175.340 174.649 0.691 1 1 1010 . 22 1 1 A 100 100 GLU CA C 100 54.080 54.587 -0.507 1 1 1011 . 22 1 1 A 100 100 GLU CB C 100 34.720 33.473 1.247 1 1 1012 . 22 1 1 A 100 100 GLU N N 100 124.080 120.612 3.468 1 1 1013 . 22 1 1 A 101 101 VAL H H 101 8.726 9.100 -0.374 1 1 1014 . 22 1 1 A 101 101 VAL HA H 101 4.900 4.489 0.411 1 1 1022 . 22 1 1 A 101 101 VAL C C 101 172.510 174.734 -2.224 1 1 1023 . 22 1 1 A 101 101 VAL CA C 101 58.710 61.314 -2.604 1 1 1024 . 22 1 1 A 101 101 VAL CB C 101 33.550 33.126 0.424 1 1 1025 . 22 1 1 A 101 101 VAL N N 101 124.500 123.703 0.797 1 1 1026 . 22 1 1 A 102 102 VAL H H 102 8.719 9.339 -0.620 1 1 1027 . 22 1 1 A 102 102 VAL HA H 102 4.578 4.561 0.017 1 1 1035 . 22 1 1 A 102 102 VAL C C 102 175.380 174.129 1.251 1 1 1036 . 22 1 1 A 102 102 VAL CA C 102 60.370 60.778 -0.408 1 1 1037 . 22 1 1 A 102 102 VAL CB C 102 36.060 34.267 1.793 1 1 1038 . 22 1 1 A 102 102 VAL N N 102 125.900 127.756 -1.856 1 1 1039 . 22 1 1 A 103 103 ASP H H 103 8.626 9.203 -0.577 1 1 1040 . 22 1 1 A 103 103 ASP HA H 103 4.856 4.569 0.287 1 1 1043 . 22 1 1 A 103 103 ASP C C 103 177.300 176.445 0.855 1 1 1044 . 22 1 1 A 103 103 ASP CA C 103 54.580 54.015 0.565 1 1 1045 . 22 1 1 A 103 103 ASP CB C 103 44.210 41.774 2.436 1 1 1046 . 22 1 1 A 103 103 ASP N N 103 127.250 127.428 -0.178 1 1 1047 . 22 1 1 A 104 104 VAL H H 104 7.890 8.798 -0.908 1 1 1048 . 22 1 1 A 104 104 VAL HA H 104 4.527 4.451 0.076 1 1 1056 . 22 1 1 A 104 104 VAL C C 104 174.490 175.869 -1.379 1 1 1057 . 22 1 1 A 104 104 VAL CA C 104 60.630 61.578 -0.948 1 1 1058 . 22 1 1 A 104 104 VAL CB C 104 29.350 33.437 -4.087 1 1 1059 . 22 1 1 A 104 104 VAL N N 104 119.270 120.581 -1.311 1 1 1060 . 22 1 1 A 105 105 GLY H H 105 8.690 7.625 1.065 1 1 1061 . 22 1 1 A 105 105 GLY HA2 H 105 4.270 4.173 0.097 1 1 1062 . 22 1 1 A 105 105 GLY HA3 H 105 3.685 4.192 -0.507 1 1 1063 . 22 1 1 A 105 105 GLY C C 105 175.490 173.058 2.432 1 1 1064 . 22 1 1 A 105 105 GLY CA C 105 45.650 45.352 0.298 1 1 1065 . 22 1 1 A 105 105 GLY N N 105 111.790 109.510 2.280 1 1 1066 . 22 1 1 A 106 106 SER H H 106 9.218 8.983 0.235 1 1 1067 . 22 1 1 A 106 106 SER HA H 106 3.894 4.443 -0.549 1 1 1070 . 22 1 1 A 106 106 SER C C 106 174.590 174.087 0.503 1 1 1071 . 22 1 1 A 106 106 SER CA C 106 58.600 57.912 0.688 1 1 1072 . 22 1 1 A 106 106 SER CB C 106 61.250 60.961 0.289 1 1 1073 . 22 1 1 A 106 106 SER N N 106 121.540 121.564 -0.024 1 1 1074 . 22 1 1 A 107 107 LEU H H 107 8.018 8.595 -0.577 1 1 1075 . 22 1 1 A 107 107 LEU HA H 107 4.240 4.133 0.107 1 1 1085 . 22 1 1 A 107 107 LEU C C 107 179.420 177.448 1.972 1 1 1086 . 22 1 1 A 107 107 LEU CA C 107 57.590 57.565 0.025 1 1 1087 . 22 1 1 A 107 107 LEU CB C 107 42.360 41.860 0.500 1 1 1088 . 22 1 1 A 107 107 LEU N N 107 121.520 126.891 -5.371 1 1 1089 . 22 1 1 A 108 108 ASN H H 108 8.799 7.780 1.019 1 1 1090 . 22 1 1 A 108 108 ASN HA H 108 4.986 3.901 1.085 1 1 1093 . 22 1 1 A 108 108 ASN C C 108 175.950 175.386 0.564 1 1 1094 . 22 1 1 A 108 108 ASN CA C 108 54.440 52.854 1.586 1 1 1095 . 22 1 1 A 108 108 ASN CB C 108 41.180 39.310 1.870 1 1 1096 . 22 1 1 A 108 108 ASN N N 108 111.800 114.545 -2.745 1 1 1097 . 22 1 1 A 109 109 GLY H H 109 8.025 7.823 0.202 1 1 1098 . 22 1 1 A 109 109 GLY HA2 H 109 4.237 3.790 0.447 1 1 1099 . 22 1 1 A 109 109 GLY HA3 H 109 3.621 3.852 -0.231 1 1 1100 . 22 1 1 A 109 109 GLY C C 109 173.820 173.373 0.447 1 1 1101 . 22 1 1 A 109 109 GLY CA C 109 44.340 44.825 -0.485 1 1 1102 . 22 1 1 A 109 109 GLY N N 109 110.600 106.521 4.079 1 1 1103 . 22 1 1 A 110 110 THR H H 110 8.770 8.729 0.041 1 1 1104 . 22 1 1 A 110 110 THR HA H 110 4.797 4.689 0.108 1 1 1109 . 22 1 1 A 110 110 THR C C 110 172.570 173.993 -1.423 1 1 1110 . 22 1 1 A 110 110 THR CA C 110 64.540 63.248 1.292 1 1 1111 . 22 1 1 A 110 110 THR CB C 110 70.230 69.258 0.972 1 1 1112 . 22 1 1 A 110 110 THR N N 110 121.240 119.236 2.004 1 1 1113 . 22 1 1 A 111 111 TYR H H 111 8.272 9.026 -0.754 1 1 1114 . 22 1 1 A 111 111 TYR HA H 111 5.155 5.311 -0.156 1 1 1121 . 22 1 1 A 111 111 TYR C C 111 175.860 175.075 0.785 1 1 1122 . 22 1 1 A 111 111 TYR CA C 111 55.820 56.675 -0.855 1 1 1123 . 22 1 1 A 111 111 TYR CB C 111 41.100 41.955 -0.855 1 1 1124 . 22 1 1 A 111 111 TYR N N 111 123.680 126.050 -2.370 1 1 1125 . 22 1 1 A 112 112 VAL H H 112 9.017 9.049 -0.032 1 1 1126 . 22 1 1 A 112 112 VAL HA H 112 4.951 4.597 0.354 1 1 1134 . 22 1 1 A 112 112 VAL C C 112 176.780 176.019 0.761 1 1 1135 . 22 1 1 A 112 112 VAL CA C 112 61.130 61.126 0.004 1 1 1136 . 22 1 1 A 112 112 VAL CB C 112 32.870 34.133 -1.263 1 1 1137 . 22 1 1 A 112 112 VAL N N 112 121.300 123.347 -2.047 1 1 1138 . 22 1 1 A 113 113 ASN H H 113 10.285 9.496 0.789 1 1 1139 . 22 1 1 A 113 113 ASN HA H 113 4.483 4.454 0.029 1 1 1144 . 22 1 1 A 113 113 ASN C C 113 174.590 175.241 -0.651 1 1 1145 . 22 1 1 A 113 113 ASN CA C 113 55.160 54.717 0.443 1 1 1146 . 22 1 1 A 113 113 ASN CB C 113 37.240 36.856 0.384 1 1 1147 . 22 1 1 A 113 113 ASN N N 113 129.510 127.937 1.573 1 1 1149 . 22 1 1 A 114 114 ARG H H 114 9.459 7.981 1.478 1 1 1150 . 22 1 1 A 114 114 ARG HA H 114 3.659 4.041 -0.382 1 1 1158 . 22 1 1 A 114 114 ARG C C 114 174.900 174.609 0.291 1 1 1159 . 22 1 1 A 114 114 ARG CA C 114 58.280 57.592 0.688 1 1 1160 . 22 1 1 A 114 114 ARG CB C 114 27.250 29.895 -2.645 1 1 1161 . 22 1 1 A 114 114 ARG N N 114 106.570 117.664 -11.094 1 1 1163 . 22 1 1 A 115 115 GLU H H 115 7.827 7.676 0.151 1 1 1164 . 22 1 1 A 115 115 GLU HA H 115 5.153 4.477 0.676 1 1 1169 . 22 1 1 A 115 115 GLU C C 115 173.950 173.841 0.109 1 1 1170 . 22 1 1 A 115 115 GLU CA C 115 52.990 52.946 0.044 1 1 1171 . 22 1 1 A 115 115 GLU N N 115 119.780 118.882 0.898 1 1 1172 . 22 1 1 A 116 116 PRO HA H 116 3.983 4.412 -0.429 1 1 1177 . 22 1 1 A 116 116 PRO C C 116 177.780 175.190 2.590 1 1 1178 . 22 1 1 A 116 116 PRO CA C 116 62.910 62.929 -0.019 1 1 1179 . 22 1 1 A 116 116 PRO CB C 116 31.200 31.817 -0.617 1 1 1180 . 22 1 1 A 117 117 ARG H H 117 8.414 8.841 -0.427 1 1 1181 . 22 1 1 A 117 117 ARG HA H 117 4.699 4.673 0.026 1 1 1189 . 22 1 1 A 117 117 ARG C C 117 175.260 175.128 0.132 1 1 1190 . 22 1 1 A 117 117 ARG CA C 117 52.990 55.595 -2.605 1 1 1191 . 22 1 1 A 117 117 ARG CB C 117 24.560 33.053 -8.493 1 1 1192 . 22 1 1 A 117 117 ARG N N 117 121.900 124.204 -2.304 1 1 1194 . 22 1 1 A 118 118 ASN H H 118 8.741 8.688 0.053 1 1 1195 . 22 1 1 A 118 118 ASN HA H 118 4.731 4.808 -0.077 1 1 1200 . 22 1 1 A 118 118 ASN C C 118 175.220 174.849 0.371 1 1 1201 . 22 1 1 A 118 118 ASN CA C 118 55.090 54.665 0.425 1 1 1202 . 22 1 1 A 118 118 ASN CB C 118 38.920 39.761 -0.841 1 1 1203 . 22 1 1 A 118 118 ASN N N 118 120.190 120.524 -0.334 1 1 1205 . 22 1 1 A 119 119 ALA H H 119 7.372 7.869 -0.497 1 1 1206 . 22 1 1 A 119 119 ALA HA H 119 5.319 5.296 0.023 1 1 1210 . 22 1 1 A 119 119 ALA C C 119 176.720 175.270 1.450 1 1 1211 . 22 1 1 A 119 119 ALA CA C 119 52.120 50.329 1.791 1 1 1212 . 22 1 1 A 119 119 ALA CB C 119 21.460 22.354 -0.894 1 1 1213 . 22 1 1 A 119 119 ALA N N 119 120.380 119.644 0.736 1 1 1214 . 22 1 1 A 120 120 GLN H H 120 8.787 8.681 0.106 1 1 1215 . 22 1 1 A 120 120 GLN HA H 120 4.505 4.593 -0.088 1 1 1222 . 22 1 1 A 120 120 GLN C C 120 174.380 174.012 0.368 1 1 1223 . 22 1 1 A 120 120 GLN CA C 120 56.030 55.087 0.943 1 1 1224 . 22 1 1 A 120 120 GLN CB C 120 32.790 32.918 -0.128 1 1 1225 . 22 1 1 A 120 120 GLN N N 120 121.180 121.633 -0.453 1 1 1227 . 22 1 1 A 121 121 VAL H H 121 8.692 8.620 0.072 1 1 1228 . 22 1 1 A 121 121 VAL HA H 121 4.258 4.225 0.033 1 1 1236 . 22 1 1 A 121 121 VAL C C 121 176.510 175.147 1.363 1 1 1237 . 22 1 1 A 121 121 VAL CA C 121 64.140 62.844 1.296 1 1 1238 . 22 1 1 A 121 121 VAL CB C 121 31.700 31.726 -0.026 1 1 1239 . 22 1 1 A 121 121 VAL N N 121 129.930 126.761 3.169 1 1 1240 . 22 1 1 A 122 122 MET H H 122 8.924 9.476 -0.552 1 1 1241 . 22 1 1 A 122 122 MET HA H 122 4.419 4.827 -0.408 1 1 1249 . 22 1 1 A 122 122 MET C C 122 174.380 175.884 -1.504 1 1 1250 . 22 1 1 A 122 122 MET CA C 122 55.740 54.356 1.384 1 1 1251 . 22 1 1 A 122 122 MET CB C 122 35.140 33.934 1.206 1 1 1252 . 22 1 1 A 122 122 MET N N 122 129.560 127.558 2.002 1 1 1253 . 22 1 1 A 123 123 GLN H H 123 9.002 8.994 0.008 1 1 1254 . 22 1 1 A 123 123 GLN HA H 123 4.823 5.124 -0.301 1 1 1261 . 22 1 1 A 123 123 GLN C C 123 175.530 174.975 0.555 1 1 1262 . 22 1 1 A 123 123 GLN CA C 123 53.570 54.258 -0.688 1 1 1263 . 22 1 1 A 123 123 GLN CB C 123 32.290 32.077 0.213 1 1 1264 . 22 1 1 A 123 123 GLN N N 123 119.810 123.690 -3.880 1 1 1266 . 22 1 1 A 124 124 THR H H 124 9.036 8.627 0.409 1 1 1267 . 22 1 1 A 124 124 THR HA H 124 4.208 4.196 0.012 1 1 1272 . 22 1 1 A 124 124 THR C C 124 175.300 175.633 -0.333 1 1 1273 . 22 1 1 A 124 124 THR CA C 124 65.510 63.863 1.647 1 1 1274 . 22 1 1 A 124 124 THR CB C 124 69.560 68.697 0.863 1 1 1275 . 22 1 1 A 124 124 THR N N 124 119.570 117.510 2.060 1 1 1276 . 22 1 1 A 125 125 GLY H H 125 9.921 9.579 0.342 1 1 1277 . 22 1 1 A 125 125 GLY HA2 H 125 4.552 4.016 0.536 1 1 1278 . 22 1 1 A 125 125 GLY HA3 H 125 3.480 4.023 -0.543 1 1 1279 . 22 1 1 A 125 125 GLY C C 125 174.650 174.303 0.347 1 1 1280 . 22 1 1 A 125 125 GLY CA C 125 44.710 45.023 -0.313 1 1 1281 . 22 1 1 A 125 125 GLY N N 125 117.920 117.155 0.765 1 1 1282 . 22 1 1 A 126 126 ASP H H 126 8.638 8.137 0.501 1 1 1283 . 22 1 1 A 126 126 ASP HA H 126 4.876 4.862 0.014 1 1 1286 . 22 1 1 A 126 126 ASP C C 126 174.650 175.470 -0.820 1 1 1287 . 22 1 1 A 126 126 ASP CA C 126 56.140 54.071 2.069 1 1 1288 . 22 1 1 A 126 126 ASP CB C 126 41.690 41.871 -0.181 1 1 1289 . 22 1 1 A 126 126 ASP N N 126 123.190 122.416 0.774 1 1 1290 . 22 1 1 A 127 127 GLU H H 127 8.316 8.979 -0.663 1 1 1291 . 22 1 1 A 127 127 GLU HA H 127 5.341 5.237 0.104 1 1 1296 . 22 1 1 A 127 127 GLU C C 127 175.990 175.062 0.928 1 1 1297 . 22 1 1 A 127 127 GLU CA C 127 54.440 54.891 -0.451 1 1 1298 . 22 1 1 A 127 127 GLU CB C 127 32.790 32.320 0.470 1 1 1299 . 22 1 1 A 127 127 GLU N N 127 118.480 122.976 -4.496 1 1 1300 . 22 1 1 A 128 128 ILE H H 128 9.910 9.430 0.480 1 1 1301 . 22 1 1 A 128 128 ILE HA H 128 5.334 4.926 0.408 1 1 1311 . 22 1 1 A 128 128 ILE C C 128 174.700 174.139 0.561 1 1 1312 . 22 1 1 A 128 128 ILE CA C 128 59.470 60.141 -0.671 1 1 1313 . 22 1 1 A 128 128 ILE CB C 128 40.600 39.947 0.653 1 1 1314 . 22 1 1 A 128 128 ILE N N 128 128.810 126.692 2.118 1 1 1315 . 22 1 1 A 129 129 GLN H H 129 9.502 9.272 0.230 1 1 1316 . 22 1 1 A 129 129 GLN HA H 129 5.406 5.156 0.250 1 1 1323 . 22 1 1 A 129 129 GLN C C 129 174.950 174.703 0.247 1 1 1324 . 22 1 1 A 129 129 GLN CA C 129 54.800 54.212 0.588 1 1 1325 . 22 1 1 A 129 129 GLN CB C 129 30.690 31.831 -1.141 1 1 1326 . 22 1 1 A 129 129 GLN N N 129 129.270 128.236 1.034 1 1 1328 . 22 1 1 A 130 130 ILE H H 130 8.498 9.023 -0.525 1 1 1329 . 22 1 1 A 130 130 ILE HA H 130 4.116 4.443 -0.327 1 1 1339 . 22 1 1 A 130 130 ILE C C 130 174.860 176.245 -1.385 1 1 1340 . 22 1 1 A 130 130 ILE CA C 130 60.740 60.075 0.665 1 1 1341 . 22 1 1 A 130 130 ILE CB C 130 41.440 39.577 1.863 1 1 1342 . 22 1 1 A 130 130 ILE N N 130 129.070 127.439 1.631 1 1 1343 . 22 1 1 A 131 131 GLY H H 131 9.924 8.907 1.017 1 1 1344 . 22 1 1 A 131 131 GLY HA2 H 131 3.768 3.811 -0.043 1 1 1345 . 22 1 1 A 131 131 GLY HA3 H 131 3.337 3.879 -0.542 1 1 1346 . 22 1 1 A 131 131 GLY C C 131 174.590 174.833 -0.243 1 1 1347 . 22 1 1 A 131 131 GLY CA C 131 46.700 47.363 -0.663 1 1 1348 . 22 1 1 A 131 131 GLY N N 131 116.470 118.134 -1.664 1 1 1349 . 22 1 1 A 132 132 LYS H H 132 7.141 8.660 -1.519 1 1 1350 . 22 1 1 A 132 132 LYS HA H 132 3.750 4.381 -0.631 1 1 1357 . 22 1 1 A 132 132 LYS C C 132 175.820 175.876 -0.056 1 1 1358 . 22 1 1 A 132 132 LYS CA C 132 57.550 56.105 1.445 1 1 1359 . 22 1 1 A 132 132 LYS CB C 132 33.300 32.441 0.859 1 1 1360 . 22 1 1 A 132 132 LYS N N 132 122.960 125.570 -2.610 1 1 1361 . 22 1 1 A 133 133 PHE H H 133 8.360 8.274 0.086 1 1 1362 . 22 1 1 A 133 133 PHE HA H 133 4.601 5.309 -0.708 1 1 1370 . 22 1 1 A 133 133 PHE C C 133 174.910 174.787 0.123 1 1 1371 . 22 1 1 A 133 133 PHE CA C 133 58.600 57.546 1.054 1 1 1372 . 22 1 1 A 133 133 PHE CB C 133 40.510 41.155 -0.645 1 1 1373 . 22 1 1 A 133 133 PHE N N 133 118.170 120.357 -2.187 1 1 1374 . 22 1 1 A 134 134 ARG H H 134 8.698 9.183 -0.485 1 1 1375 . 22 1 1 A 134 134 ARG HA H 134 5.212 5.166 0.046 1 1 1383 . 22 1 1 A 134 134 ARG C C 134 175.150 174.389 0.761 1 1 1384 . 22 1 1 A 134 134 ARG CA C 134 55.060 54.769 0.291 1 1 1385 . 22 1 1 A 134 134 ARG CB C 134 33.550 33.312 0.238 1 1 1386 . 22 1 1 A 134 134 ARG N N 134 120.770 123.286 -2.516 1 1 1388 . 22 1 1 A 135 135 LEU H H 135 9.904 9.471 0.433 1 1 1389 . 22 1 1 A 135 135 LEU HA H 135 5.544 5.355 0.189 1 1 1399 . 22 1 1 A 135 135 LEU C C 135 175.260 175.907 -0.647 1 1 1400 . 22 1 1 A 135 135 LEU CA C 135 53.930 53.434 0.496 1 1 1401 . 22 1 1 A 135 135 LEU CB C 135 45.550 44.215 1.335 1 1 1402 . 22 1 1 A 135 135 LEU N N 135 127.130 128.292 -1.162 1 1 1403 . 22 1 1 A 136 136 VAL H H 136 9.350 9.368 -0.018 1 1 1404 . 22 1 1 A 136 136 VAL HA H 136 5.226 4.785 0.441 1 1 1412 . 22 1 1 A 136 136 VAL C C 136 174.050 174.112 -0.062 1 1 1413 . 22 1 1 A 136 136 VAL CA C 136 60.520 61.025 -0.505 1 1 1414 . 22 1 1 A 136 136 VAL CB C 136 34.890 33.639 1.251 1 1 1415 . 22 1 1 A 136 136 VAL N N 136 121.300 123.467 -2.167 1 1 1416 . 22 1 1 A 137 137 PHE H H 137 8.492 9.338 -0.846 1 1 1417 . 22 1 1 A 137 137 PHE HA H 137 5.007 5.069 -0.062 1 1 1424 . 22 1 1 A 137 137 PHE C C 137 173.340 173.870 -0.530 1 1 1425 . 22 1 1 A 137 137 PHE CA C 137 57.010 56.139 0.871 1 1 1426 . 22 1 1 A 137 137 PHE CB C 137 41.770 40.658 1.112 1 1 1427 . 22 1 1 A 137 137 PHE N N 137 127.550 128.888 -1.338 1 1 1428 . 22 1 1 A 138 138 LEU H H 138 8.535 8.916 -0.381 1 1 1429 . 22 1 1 A 138 138 LEU HA H 138 4.345 4.870 -0.525 1 1 1439 . 22 1 1 A 138 138 LEU C C 138 173.390 174.827 -1.437 1 1 1440 . 22 1 1 A 138 138 LEU CA C 138 53.680 53.457 0.223 1 1 1441 . 22 1 1 A 138 138 LEU CB C 138 45.210 45.435 -0.225 1 1 1442 . 22 1 1 A 138 138 LEU N N 138 128.590 128.672 -0.082 1 1 1443 . 22 1 1 A 139 139 ALA H H 139 7.502 8.865 -1.363 1 1 1444 . 22 1 1 A 139 139 ALA HA H 139 3.952 4.860 -0.908 1 1 1448 . 22 1 1 A 139 139 ALA C C 139 178.010 176.949 1.061 1 1 1449 . 22 1 1 A 139 139 ALA CA C 139 51.650 50.434 1.216 1 1 1450 . 22 1 1 A 139 139 ALA CB C 139 20.700 20.090 0.610 1 1 1451 . 22 1 1 A 139 139 ALA N N 139 123.250 125.796 -2.546 1 1 1452 . 22 1 1 A 140 140 GLY H H 140 7.968 8.728 -0.760 1 1 1453 . 22 1 1 A 140 140 GLY HA2 H 140 4.202 4.241 -0.039 1 1 1454 . 22 1 1 A 140 140 GLY HA3 H 140 3.595 4.251 -0.656 1 1 1455 . 22 1 1 A 140 140 GLY C C 140 171.240 171.984 -0.744 1 1 1456 . 22 1 1 A 140 140 GLY CA C 140 44.710 43.863 0.847 1 1 1457 . 22 1 1 A 140 140 GLY N N 140 108.040 110.962 -2.922 1 1 1458 . 22 1 1 A 141 141 PRO HA H 141 4.460 4.320 0.140 1 1 1463 . 22 1 1 A 141 141 PRO C C 141 176.150 176.895 -0.745 1 1 1464 . 22 1 1 A 141 141 PRO CA C 141 63.230 63.367 -0.137 1 1 1465 . 22 1 1 A 141 141 PRO CB C 141 32.370 32.342 0.028 1 1 1466 . 22 1 1 A 142 142 ALA H H 142 8.496 8.482 0.014 1 1 1467 . 22 1 1 A 142 142 ALA HA H 142 4.363 3.886 0.477 1 1 1471 . 22 1 1 A 142 142 ALA C C 142 177.320 176.034 1.286 1 1 1472 . 22 1 1 A 142 142 ALA CA C 142 52.740 53.066 -0.326 1 1 1473 . 22 1 1 A 142 142 ALA CB C 142 19.780 17.760 2.020 1 1 1474 . 22 1 1 A 142 142 ALA N N 142 124.080 119.767 4.313 1 1 4 . 23 1 1 A 2 2 SER H H 2 8.404 8.718 -0.314 1 1 5 . 23 1 1 A 2 2 SER HA H 2 4.430 4.779 -0.349 1 1 8 . 23 1 1 A 2 2 SER C C 2 174.220 173.943 0.277 1 1 9 . 23 1 1 A 2 2 SER CA C 2 58.650 58.741 -0.091 1 1 10 . 23 1 1 A 2 2 SER CB C 2 64.280 63.853 0.427 1 1 11 . 23 1 1 A 2 2 SER N N 2 116.880 117.833 -0.953 1 1 12 . 23 1 1 A 3 3 ASP H H 3 8.314 8.851 -0.537 1 1 13 . 23 1 1 A 3 3 ASP HA H 3 4.594 5.076 -0.482 1 1 16 . 23 1 1 A 3 3 ASP C C 3 176.070 175.862 0.208 1 1 17 . 23 1 1 A 3 3 ASP CA C 3 54.580 52.401 2.179 1 1 18 . 23 1 1 A 3 3 ASP CB C 3 41.530 42.121 -0.591 1 1 19 . 23 1 1 A 3 3 ASP N N 3 122.210 124.991 -2.781 1 1 20 . 23 1 1 A 4 4 ASN H H 4 8.326 8.558 -0.232 1 1 21 . 23 1 1 A 4 4 ASN HA H 4 4.748 4.668 0.080 1 1 24 . 23 1 1 A 4 4 ASN C C 4 175.130 174.694 0.436 1 1 25 . 23 1 1 A 4 4 ASN CA C 4 53.430 53.488 -0.058 1 1 26 . 23 1 1 A 4 4 ASN CB C 4 38.920 38.955 -0.035 1 1 27 . 23 1 1 A 4 4 ASN N N 4 118.670 120.474 -1.804 1 1 28 . 23 1 1 A 5 5 ASN H H 5 8.467 8.551 -0.084 1 1 29 . 23 1 1 A 5 5 ASN HA H 5 4.702 5.312 -0.610 1 1 32 . 23 1 1 A 5 5 ASN C C 5 175.700 175.424 0.276 1 1 33 . 23 1 1 A 5 5 ASN CA C 5 53.610 51.892 1.718 1 1 34 . 23 1 1 A 5 5 ASN CB C 5 39.090 38.539 0.551 1 1 35 . 23 1 1 A 5 5 ASN N N 5 119.070 121.057 -1.987 1 1 36 . 23 1 1 A 6 6 GLY H H 6 8.333 8.769 -0.436 1 1 37 . 23 1 1 A 6 6 GLY HA2 H 6 3.960 3.918 0.042 1 1 38 . 23 1 1 A 6 6 GLY HA3 H 6 3.960 3.918 0.042 1 1 39 . 23 1 1 A 6 6 GLY C C 6 174.050 174.128 -0.078 1 1 40 . 23 1 1 A 6 6 GLY CA C 6 45.390 46.506 -1.116 1 1 41 . 23 1 1 A 6 6 GLY N N 6 109.000 110.373 -1.373 1 1 42 . 23 1 1 A 7 7 THR H H 7 8.076 7.910 0.166 1 1 43 . 23 1 1 A 7 7 THR HA H 7 4.591 4.534 0.057 1 1 48 . 23 1 1 A 7 7 THR C C 7 172.840 173.312 -0.472 1 1 49 . 23 1 1 A 7 7 THR CA C 7 60.050 59.383 0.667 1 1 50 . 23 1 1 A 7 7 THR N N 7 116.910 114.145 2.765 1 1 51 . 23 1 1 A 8 8 PRO HA H 8 4.414 4.519 -0.105 1 1 54 . 23 1 1 A 8 8 PRO C C 8 176.690 176.625 0.065 1 1 55 . 23 1 1 A 8 8 PRO CA C 8 63.090 62.567 0.523 1 1 56 . 23 1 1 A 8 8 PRO CB C 8 32.290 32.441 -0.151 1 1 57 . 23 1 1 A 9 9 GLU H H 9 8.467 8.616 -0.149 1 1 58 . 23 1 1 A 9 9 GLU HA H 9 4.527 4.631 -0.104 1 1 63 . 23 1 1 A 9 9 GLU C C 9 174.680 174.931 -0.251 1 1 64 . 23 1 1 A 9 9 GLU CA C 9 54.550 54.087 0.463 1 1 65 . 23 1 1 A 9 9 GLU N N 9 122.910 122.017 0.893 1 1 66 . 23 1 1 A 10 10 PRO HA H 10 4.371 4.738 -0.367 1 1 71 . 23 1 1 A 10 10 PRO C C 10 176.820 175.491 1.329 1 1 72 . 23 1 1 A 10 10 PRO CA C 10 63.300 62.806 0.494 1 1 73 . 23 1 1 A 10 10 PRO CB C 10 32.290 31.581 0.709 1 1 74 . 23 1 1 A 11 11 GLN H H 11 8.543 8.770 -0.227 1 1 75 . 23 1 1 A 11 11 GLN HA H 11 4.334 4.734 -0.400 1 1 82 . 23 1 1 A 11 11 GLN C C 11 176.010 173.575 2.435 1 1 83 . 23 1 1 A 11 11 GLN CA C 11 55.710 55.256 0.454 1 1 84 . 23 1 1 A 11 11 GLN CB C 11 29.520 32.194 -2.674 1 1 85 . 23 1 1 A 11 11 GLN N N 11 121.100 123.271 -2.171 1 1 87 . 23 1 1 A 12 12 VAL H H 12 8.201 8.989 -0.788 1 1 88 . 23 1 1 A 12 12 VAL HA H 12 4.144 4.806 -0.662 1 1 96 . 23 1 1 A 12 12 VAL C C 12 175.940 174.734 1.206 1 1 97 . 23 1 1 A 12 12 VAL CA C 12 62.110 61.101 1.009 1 1 98 . 23 1 1 A 12 12 VAL CB C 12 32.800 34.611 -1.811 1 1 99 . 23 1 1 A 12 12 VAL N N 12 122.070 126.096 -4.026 1 1 100 . 23 1 1 A 13 13 GLU H H 13 8.593 8.763 -0.170 1 1 101 . 23 1 1 A 13 13 GLU HA H 13 4.329 5.011 -0.682 1 1 106 . 23 1 1 A 13 13 GLU C C 13 176.720 176.205 0.515 1 1 107 . 23 1 1 A 13 13 GLU CA C 13 56.830 55.078 1.752 1 1 108 . 23 1 1 A 13 13 GLU CB C 13 30.860 31.715 -0.855 1 1 109 . 23 1 1 A 13 13 GLU N N 13 124.660 126.706 -2.046 1 1 138 . 23 1 1 A 17 17 VAL H H 17 8.458 8.733 -0.275 1 1 139 . 23 1 1 A 17 17 VAL HA H 17 4.183 4.604 -0.421 1 1 147 . 23 1 1 A 17 17 VAL C C 17 175.950 175.651 0.299 1 1 148 . 23 1 1 A 17 17 VAL CA C 17 63.780 62.778 1.002 1 1 149 . 23 1 1 A 17 17 VAL CB C 17 32.460 31.435 1.025 1 1 150 . 23 1 1 A 17 17 VAL N N 17 124.860 127.108 -2.248 1 1 151 . 23 1 1 A 18 18 PHE H H 18 8.579 8.645 -0.066 1 1 152 . 23 1 1 A 18 18 PHE HA H 18 4.650 5.741 -1.091 1 1 160 . 23 1 1 A 18 18 PHE C C 18 173.450 173.755 -0.305 1 1 161 . 23 1 1 A 18 18 PHE CA C 18 57.480 54.975 2.505 1 1 162 . 23 1 1 A 18 18 PHE CB C 18 41.950 42.747 -0.797 1 1 163 . 23 1 1 A 18 18 PHE N N 18 127.160 123.702 3.458 1 1 164 . 23 1 1 A 19 19 ARG H H 19 7.920 8.955 -1.035 1 1 165 . 23 1 1 A 19 19 ARG HA H 19 4.196 4.895 -0.699 1 1 170 . 23 1 1 A 19 19 ARG C C 19 174.930 175.931 -1.001 1 1 171 . 23 1 1 A 19 19 ARG CA C 19 54.800 55.584 -0.784 1 1 172 . 23 1 1 A 19 19 ARG CB C 19 30.610 31.618 -1.008 1 1 173 . 23 1 1 A 19 19 ARG N N 19 127.500 119.859 7.641 1 1 174 . 23 1 1 A 20 20 ALA H H 20 8.067 8.472 -0.405 1 1 175 . 23 1 1 A 20 20 ALA HA H 20 3.729 4.736 -1.007 1 1 179 . 23 1 1 A 20 20 ALA C C 20 177.630 177.441 0.189 1 1 180 . 23 1 1 A 20 20 ALA CA C 20 53.280 50.350 2.930 1 1 181 . 23 1 1 A 20 20 ALA CB C 20 18.860 21.622 -2.762 1 1 182 . 23 1 1 A 20 20 ALA N N 20 126.460 122.632 3.828 1 1 183 . 23 1 1 A 21 21 ASP H H 21 8.355 8.997 -0.642 1 1 184 . 23 1 1 A 21 21 ASP HA H 21 4.350 4.402 -0.052 1 1 187 . 23 1 1 A 21 21 ASP C C 21 176.720 177.693 -0.973 1 1 188 . 23 1 1 A 21 21 ASP CA C 21 54.480 55.773 -1.293 1 1 189 . 23 1 1 A 21 21 ASP CB C 21 40.350 39.726 0.624 1 1 190 . 23 1 1 A 21 21 ASP N N 21 117.850 116.382 1.468 1 1 191 . 23 1 1 A 22 22 LEU H H 22 7.705 7.499 0.206 1 1 192 . 23 1 1 A 22 22 LEU HA H 22 4.088 3.704 0.384 1 1 202 . 23 1 1 A 22 22 LEU C C 22 177.760 178.693 -0.933 1 1 203 . 23 1 1 A 22 22 LEU CA C 22 55.780 57.875 -2.095 1 1 204 . 23 1 1 A 22 22 LEU CB C 22 41.860 40.720 1.140 1 1 205 . 23 1 1 A 22 22 LEU N N 22 121.600 120.504 1.096 1 1 206 . 23 1 1 A 23 23 LEU H H 23 7.717 7.603 0.114 1 1 207 . 23 1 1 A 23 23 LEU HA H 23 4.166 4.230 -0.064 1 1 217 . 23 1 1 A 23 23 LEU C C 23 177.840 177.608 0.232 1 1 218 . 23 1 1 A 23 23 LEU CA C 23 55.960 57.063 -1.103 1 1 219 . 23 1 1 A 23 23 LEU CB C 23 41.950 41.210 0.740 1 1 220 . 23 1 1 A 23 23 LEU N N 23 120.360 115.879 4.481 1 1 221 . 23 1 1 A 24 24 LYS H H 24 7.933 8.314 -0.381 1 1 222 . 23 1 1 A 24 24 LYS HA H 24 4.174 4.158 0.016 1 1 229 . 23 1 1 A 24 24 LYS C C 24 177.190 178.530 -1.340 1 1 230 . 23 1 1 A 24 24 LYS CA C 24 57.050 58.589 -1.539 1 1 231 . 23 1 1 A 24 24 LYS CB C 24 32.880 31.860 1.020 1 1 232 . 23 1 1 A 24 24 LYS N N 24 121.120 121.321 -0.201 1 1 233 . 23 1 1 A 25 25 GLU H H 25 8.160 8.312 -0.152 1 1 234 . 23 1 1 A 25 25 GLU HA H 25 4.199 4.140 0.059 1 1 239 . 23 1 1 A 25 25 GLU C C 25 176.900 178.573 -1.673 1 1 240 . 23 1 1 A 25 25 GLU CA C 25 57.010 59.349 -2.339 1 1 241 . 23 1 1 A 25 25 GLU CB C 25 30.280 29.488 0.792 1 1 242 . 23 1 1 A 25 25 GLU N N 25 121.550 121.771 -0.221 1 1 243 . 23 1 1 A 26 26 MET H H 26 8.270 8.027 0.243 1 1 244 . 23 1 1 A 26 26 MET HA H 26 4.360 4.098 0.262 1 1 252 . 23 1 1 A 26 26 MET C C 26 176.440 178.056 -1.616 1 1 253 . 23 1 1 A 26 26 MET CA C 26 56.180 58.431 -2.251 1 1 254 . 23 1 1 A 26 26 MET CB C 26 33.050 31.921 1.129 1 1 255 . 23 1 1 A 26 26 MET N N 26 120.730 120.066 0.664 1 1 256 . 23 1 1 A 27 27 GLU H H 27 8.297 8.218 0.079 1 1 257 . 23 1 1 A 27 27 GLU HA H 27 4.264 4.070 0.194 1 1 262 . 23 1 1 A 27 27 GLU C C 27 176.650 178.487 -1.837 1 1 263 . 23 1 1 A 27 27 GLU CA C 27 56.830 58.994 -2.164 1 1 264 . 23 1 1 A 27 27 GLU CB C 27 30.530 29.147 1.383 1 1 265 . 23 1 1 A 27 27 GLU N N 27 121.650 120.230 1.420 1 1 266 . 23 1 1 A 28 28 SER H H 28 8.279 8.090 0.189 1 1 267 . 23 1 1 A 28 28 SER HA H 28 4.473 4.395 0.078 1 1 270 . 23 1 1 A 28 28 SER C C 28 174.760 175.413 -0.653 1 1 271 . 23 1 1 A 28 28 SER CA C 28 58.460 60.557 -2.097 1 1 272 . 23 1 1 A 28 28 SER CB C 28 64.190 63.453 0.737 1 1 273 . 23 1 1 A 28 28 SER N N 28 116.610 117.230 -0.620 1 1 274 . 23 1 1 A 29 29 SER H H 29 8.443 7.707 0.736 1 1 275 . 23 1 1 A 29 29 SER HA H 29 4.541 4.192 0.349 1 1 278 . 23 1 1 A 29 29 SER C C 29 174.950 174.671 0.279 1 1 279 . 23 1 1 A 29 29 SER CA C 29 58.530 60.930 -2.400 1 1 280 . 23 1 1 A 29 29 SER CB C 29 64.190 63.176 1.014 1 1 281 . 23 1 1 A 29 29 SER N N 29 118.290 115.349 2.941 1 1 282 . 23 1 1 A 30 30 THR H H 30 8.220 7.623 0.597 1 1 283 . 23 1 1 A 30 30 THR HA H 30 4.372 4.230 0.142 1 1 288 . 23 1 1 A 30 30 THR C C 30 175.280 175.711 -0.431 1 1 289 . 23 1 1 A 30 30 THR CA C 30 62.260 64.071 -1.811 1 1 290 . 23 1 1 A 30 30 THR CB C 30 69.900 67.615 2.285 1 1 291 . 23 1 1 A 30 30 THR N N 30 115.600 114.593 1.007 1 1 292 . 23 1 1 A 31 31 GLY H H 31 8.401 8.522 -0.121 1 1 293 . 23 1 1 A 31 31 GLY HA2 H 31 4.005 4.010 -0.005 1 1 294 . 23 1 1 A 31 31 GLY HA3 H 31 4.005 4.010 -0.005 1 1 295 . 23 1 1 A 31 31 GLY C C 31 174.160 174.779 -0.619 1 1 296 . 23 1 1 A 31 31 GLY CA C 31 45.470 45.965 -0.495 1 1 297 . 23 1 1 A 31 31 GLY N N 31 111.270 115.405 -4.135 1 1 298 . 23 1 1 A 32 32 THR H H 32 8.034 8.082 -0.048 1 1 299 . 23 1 1 A 32 32 THR HA H 32 4.319 4.336 -0.017 1 1 304 . 23 1 1 A 32 32 THR C C 32 174.130 173.577 0.553 1 1 305 . 23 1 1 A 32 32 THR CA C 32 61.710 62.441 -0.731 1 1 306 . 23 1 1 A 32 32 THR CB C 32 70.150 69.655 0.495 1 1 307 . 23 1 1 A 32 32 THR N N 32 113.770 115.247 -1.477 1 1 308 . 23 1 1 A 33 33 ALA H H 33 8.410 8.534 -0.124 1 1 309 . 23 1 1 A 33 33 ALA HA H 33 4.581 4.799 -0.218 1 1 313 . 23 1 1 A 33 33 ALA C C 33 175.490 175.498 -0.008 1 1 314 . 23 1 1 A 33 33 ALA CA C 33 50.680 50.148 0.532 1 1 315 . 23 1 1 A 33 33 ALA N N 33 128.320 128.383 -0.063 1 1 316 . 23 1 1 A 34 34 PRO HA H 34 4.389 4.544 -0.155 1 1 321 . 23 1 1 A 34 34 PRO C C 34 176.650 176.557 0.093 1 1 322 . 23 1 1 A 34 34 PRO CA C 34 63.090 62.569 0.521 1 1 323 . 23 1 1 A 34 34 PRO CB C 34 32.210 32.013 0.197 1 1 324 . 23 1 1 A 35 35 ALA H H 35 8.433 8.269 0.164 1 1 325 . 23 1 1 A 35 35 ALA HA H 35 4.275 4.580 -0.305 1 1 329 . 23 1 1 A 35 35 ALA C C 35 177.730 176.781 0.949 1 1 330 . 23 1 1 A 35 35 ALA CA C 35 52.590 51.136 1.454 1 1 331 . 23 1 1 A 35 35 ALA CB C 35 19.450 20.353 -0.903 1 1 332 . 23 1 1 A 35 35 ALA N N 35 124.330 123.720 0.610 1 1 333 . 23 1 1 A 36 36 SER H H 36 8.259 8.685 -0.426 1 1 334 . 23 1 1 A 36 36 SER HA H 36 4.474 4.836 -0.362 1 1 337 . 23 1 1 A 36 36 SER C C 36 174.860 173.581 1.279 1 1 338 . 23 1 1 A 36 36 SER CA C 36 58.130 55.859 2.271 1 1 339 . 23 1 1 A 36 36 SER CB C 36 64.190 65.325 -1.135 1 1 340 . 23 1 1 A 36 36 SER N N 36 114.560 115.346 -0.786 1 1 341 . 23 1 1 A 37 37 THR H H 37 8.325 8.656 -0.331 1 1 342 . 23 1 1 A 37 37 THR HA H 37 4.281 5.289 -1.008 1 1 346 . 23 1 1 A 37 37 THR C C 37 175.110 174.767 0.343 1 1 347 . 23 1 1 A 37 37 THR CA C 37 62.260 61.196 1.064 1 1 348 . 23 1 1 A 37 37 THR CB C 37 70.150 70.296 -0.146 1 1 349 . 23 1 1 A 37 37 THR N N 37 115.300 116.629 -1.329 1 1 350 . 23 1 1 A 38 38 GLY H H 38 8.511 7.985 0.526 1 1 351 . 23 1 1 A 38 38 GLY HA2 H 38 3.975 4.041 -0.066 1 1 352 . 23 1 1 A 38 38 GLY HA3 H 38 3.809 4.044 -0.235 1 1 353 . 23 1 1 A 38 38 GLY C C 38 174.470 174.869 -0.399 1 1 354 . 23 1 1 A 38 38 GLY CA C 38 45.470 45.875 -0.405 1 1 355 . 23 1 1 A 38 38 GLY N N 38 110.440 111.854 -1.414 1 1 356 . 23 1 1 A 39 39 ALA H H 39 8.245 7.829 0.416 1 1 357 . 23 1 1 A 39 39 ALA HA H 39 4.164 4.520 -0.356 1 1 361 . 23 1 1 A 39 39 ALA C C 39 177.590 179.465 -1.875 1 1 362 . 23 1 1 A 39 39 ALA CA C 39 52.560 54.419 -1.859 1 1 363 . 23 1 1 A 39 39 ALA CB C 39 19.360 19.209 0.151 1 1 364 . 23 1 1 A 39 39 ALA N N 39 124.080 121.057 3.023 1 1 365 . 23 1 1 A 40 40 GLU H H 40 8.721 8.375 0.346 1 1 366 . 23 1 1 A 40 40 GLU HA H 40 4.083 4.191 -0.108 1 1 371 . 23 1 1 A 40 40 GLU C C 40 176.320 177.245 -0.925 1 1 372 . 23 1 1 A 40 40 GLU CA C 40 57.910 57.117 0.793 1 1 373 . 23 1 1 A 40 40 GLU CB C 40 29.520 28.476 1.044 1 1 374 . 23 1 1 A 40 40 GLU N N 40 118.270 115.849 2.421 1 1 375 . 23 1 1 A 41 41 ASN H H 41 8.226 7.919 0.307 1 1 376 . 23 1 1 A 41 41 ASN HA H 41 4.716 4.628 0.088 1 1 381 . 23 1 1 A 41 41 ASN C C 41 174.800 175.162 -0.362 1 1 382 . 23 1 1 A 41 41 ASN CA C 41 52.880 55.661 -2.781 1 1 383 . 23 1 1 A 41 41 ASN CB C 41 38.840 38.792 0.048 1 1 384 . 23 1 1 A 41 41 ASN N N 41 117.620 117.643 -0.023 1 1 386 . 23 1 1 A 42 42 LEU H H 42 7.629 8.051 -0.422 1 1 387 . 23 1 1 A 42 42 LEU HA H 42 4.418 4.091 0.327 1 1 397 . 23 1 1 A 42 42 LEU C C 42 174.610 176.896 -2.286 1 1 398 . 23 1 1 A 42 42 LEU CA C 42 53.170 55.828 -2.658 1 1 399 . 23 1 1 A 42 42 LEU N N 42 123.010 116.528 6.482 1 1 400 . 23 1 1 A 43 43 PRO HA H 43 4.366 4.334 0.032 1 1 407 . 23 1 1 A 43 43 PRO C C 43 177.050 178.001 -0.951 1 1 408 . 23 1 1 A 43 43 PRO CA C 43 62.260 66.240 -3.980 1 1 409 . 23 1 1 A 43 43 PRO CB C 43 32.380 31.250 1.130 1 1 410 . 23 1 1 A 44 44 ALA H H 44 8.552 7.732 0.820 1 1 411 . 23 1 1 A 44 44 ALA HA H 44 4.223 4.380 -0.157 1 1 415 . 23 1 1 A 44 44 ALA C C 44 179.500 178.374 1.126 1 1 416 . 23 1 1 A 44 44 ALA CA C 44 53.250 51.836 1.414 1 1 417 . 23 1 1 A 44 44 ALA CB C 44 18.190 19.698 -1.508 1 1 418 . 23 1 1 A 44 44 ALA N N 44 125.070 118.256 6.814 1 1 419 . 23 1 1 A 45 45 GLY H H 45 8.897 8.878 0.019 1 1 420 . 23 1 1 A 45 45 GLY HA2 H 45 4.214 3.982 0.232 1 1 421 . 23 1 1 A 45 45 GLY HA3 H 45 3.833 4.017 -0.184 1 1 422 . 23 1 1 A 45 45 GLY C C 45 173.720 173.689 0.031 1 1 423 . 23 1 1 A 45 45 GLY CA C 45 45.790 45.363 0.427 1 1 424 . 23 1 1 A 45 45 GLY N N 45 110.600 108.680 1.920 1 1 425 . 23 1 1 A 46 46 SER H H 46 7.690 7.910 -0.220 1 1 426 . 23 1 1 A 46 46 SER HA H 46 5.338 5.183 0.155 1 1 429 . 23 1 1 A 46 46 SER C C 46 172.990 173.167 -0.177 1 1 430 . 23 1 1 A 46 46 SER CA C 46 57.810 57.719 0.091 1 1 431 . 23 1 1 A 46 46 SER CB C 46 66.960 66.533 0.427 1 1 432 . 23 1 1 A 46 46 SER N N 46 114.180 117.470 -3.290 1 1 433 . 23 1 1 A 47 47 ALA H H 47 8.435 8.739 -0.304 1 1 434 . 23 1 1 A 47 47 ALA HA H 47 4.338 4.896 -0.558 1 1 438 . 23 1 1 A 47 47 ALA C C 47 173.840 176.013 -2.173 1 1 439 . 23 1 1 A 47 47 ALA CA C 47 51.690 51.631 0.059 1 1 440 . 23 1 1 A 47 47 ALA CB C 47 24.570 23.584 0.986 1 1 441 . 23 1 1 A 47 47 ALA N N 47 120.900 123.255 -2.355 1 1 442 . 23 1 1 A 48 48 LEU H H 48 8.673 8.220 0.453 1 1 443 . 23 1 1 A 48 48 LEU HA H 48 5.021 5.571 -0.550 1 1 453 . 23 1 1 A 48 48 LEU C C 48 174.680 175.542 -0.862 1 1 454 . 23 1 1 A 48 48 LEU CA C 48 53.350 52.937 0.413 1 1 455 . 23 1 1 A 48 48 LEU CB C 48 48.150 46.357 1.793 1 1 456 . 23 1 1 A 48 48 LEU N N 48 120.170 116.279 3.891 1 1 457 . 23 1 1 A 49 49 LEU H H 49 8.686 9.146 -0.460 1 1 458 . 23 1 1 A 49 49 LEU HA H 49 5.403 5.371 0.032 1 1 468 . 23 1 1 A 49 49 LEU C C 49 176.170 175.278 0.892 1 1 469 . 23 1 1 A 49 49 LEU CA C 49 52.810 53.151 -0.341 1 1 470 . 23 1 1 A 49 49 LEU CB C 49 46.310 45.069 1.241 1 1 471 . 23 1 1 A 49 49 LEU N N 49 120.170 120.624 -0.454 1 1 472 . 23 1 1 A 50 50 VAL H H 50 8.874 9.376 -0.502 1 1 473 . 23 1 1 A 50 50 VAL HA H 50 4.971 4.639 0.332 1 1 481 . 23 1 1 A 50 50 VAL C C 50 176.740 175.275 1.465 1 1 482 . 23 1 1 A 50 50 VAL CA C 50 59.940 60.674 -0.734 1 1 483 . 23 1 1 A 50 50 VAL CB C 50 34.970 33.971 0.999 1 1 484 . 23 1 1 A 50 50 VAL N N 50 120.580 123.034 -2.454 1 1 485 . 23 1 1 A 51 51 VAL H H 51 8.984 9.113 -0.129 1 1 486 . 23 1 1 A 51 51 VAL HA H 51 4.155 4.052 0.103 1 1 494 . 23 1 1 A 51 51 VAL C C 51 176.050 175.682 0.368 1 1 495 . 23 1 1 A 51 51 VAL CA C 51 64.280 63.113 1.167 1 1 496 . 23 1 1 A 51 51 VAL CB C 51 31.280 31.383 -0.103 1 1 497 . 23 1 1 A 51 51 VAL N N 51 125.710 126.885 -1.175 1 1 498 . 23 1 1 A 52 52 LYS H H 52 9.444 9.066 0.378 1 1 499 . 23 1 1 A 52 52 LYS HA H 52 4.450 4.392 0.058 1 1 506 . 23 1 1 A 52 52 LYS C C 52 176.150 176.682 -0.532 1 1 507 . 23 1 1 A 52 52 LYS CA C 52 57.050 57.690 -0.640 1 1 508 . 23 1 1 A 52 52 LYS CB C 52 34.470 33.329 1.141 1 1 509 . 23 1 1 A 52 52 LYS N N 52 132.750 127.271 5.479 1 1 510 . 23 1 1 A 53 53 ARG H H 53 8.051 7.486 0.565 1 1 511 . 23 1 1 A 53 53 ARG HA H 53 4.685 4.809 -0.124 1 1 516 . 23 1 1 A 53 53 ARG C C 53 173.470 174.797 -1.327 1 1 517 . 23 1 1 A 53 53 ARG CA C 53 55.090 55.387 -0.297 1 1 518 . 23 1 1 A 53 53 ARG CB C 53 34.300 34.197 0.103 1 1 519 . 23 1 1 A 53 53 ARG N N 53 117.320 118.421 -1.101 1 1 520 . 23 1 1 A 54 54 GLY H H 54 8.377 8.483 -0.106 1 1 521 . 23 1 1 A 54 54 GLY HA2 H 54 4.215 4.219 -0.004 1 1 522 . 23 1 1 A 54 54 GLY HA3 H 54 3.503 4.235 -0.732 1 1 523 . 23 1 1 A 54 54 GLY C C 54 171.870 174.507 -2.637 1 1 524 . 23 1 1 A 54 54 GLY CA C 54 43.770 44.145 -0.375 1 1 525 . 23 1 1 A 54 54 GLY N N 54 110.960 112.162 -1.202 1 1 526 . 23 1 1 A 55 55 PRO HA H 55 4.255 4.278 -0.023 1 1 531 . 23 1 1 A 55 55 PRO C C 55 175.940 177.319 -1.379 1 1 532 . 23 1 1 A 55 55 PRO CA C 55 64.390 64.812 -0.422 1 1 533 . 23 1 1 A 55 55 PRO CB C 55 31.360 31.660 -0.300 1 1 534 . 23 1 1 A 56 56 ASN H H 56 8.202 7.945 0.257 1 1 535 . 23 1 1 A 56 56 ASN HA H 56 4.685 4.820 -0.135 1 1 540 . 23 1 1 A 56 56 ASN C C 56 174.410 174.643 -0.233 1 1 541 . 23 1 1 A 56 56 ASN CA C 56 52.120 52.299 -0.179 1 1 542 . 23 1 1 A 56 56 ASN CB C 56 37.070 38.354 -1.284 1 1 543 . 23 1 1 A 56 56 ASN N N 56 114.760 114.363 0.397 1 1 545 . 23 1 1 A 57 57 ALA H H 57 7.283 7.380 -0.097 1 1 546 . 23 1 1 A 57 57 ALA HA H 57 3.618 4.071 -0.453 1 1 550 . 23 1 1 A 57 57 ALA C C 57 178.090 178.345 -0.255 1 1 551 . 23 1 1 A 57 57 ALA CA C 57 54.480 53.761 0.719 1 1 552 . 23 1 1 A 57 57 ALA CB C 57 17.760 18.472 -0.712 1 1 553 . 23 1 1 A 57 57 ALA N N 57 120.380 122.311 -1.931 1 1 554 . 23 1 1 A 58 58 GLY H H 58 9.052 9.262 -0.210 1 1 555 . 23 1 1 A 58 58 GLY HA2 H 58 4.449 3.988 0.461 1 1 556 . 23 1 1 A 58 58 GLY HA3 H 58 3.415 3.993 -0.578 1 1 557 . 23 1 1 A 58 58 GLY C C 58 174.610 174.468 0.142 1 1 558 . 23 1 1 A 58 58 GLY CA C 58 44.530 45.057 -0.527 1 1 559 . 23 1 1 A 58 58 GLY N N 58 112.180 110.410 1.770 1 1 560 . 23 1 1 A 59 59 ALA H H 59 8.171 7.497 0.674 1 1 561 . 23 1 1 A 59 59 ALA HA H 59 4.081 4.476 -0.395 1 1 565 . 23 1 1 A 59 59 ALA C C 59 175.220 176.536 -1.316 1 1 566 . 23 1 1 A 59 59 ALA CA C 59 53.170 51.480 1.690 1 1 567 . 23 1 1 A 59 59 ALA CB C 59 19.360 20.384 -1.024 1 1 568 . 23 1 1 A 59 59 ALA N N 59 124.650 123.778 0.872 1 1 569 . 23 1 1 A 60 60 ARG H H 60 7.751 8.858 -1.107 1 1 570 . 23 1 1 A 60 60 ARG HA H 60 5.105 5.166 -0.061 1 1 575 . 23 1 1 A 60 60 ARG C C 60 175.320 174.213 1.107 1 1 576 . 23 1 1 A 60 60 ARG CA C 60 54.150 54.150 0.000 1 1 577 . 23 1 1 A 60 60 ARG CB C 60 34.130 33.894 0.236 1 1 578 . 23 1 1 A 60 60 ARG N N 60 116.920 117.360 -0.440 1 1 579 . 23 1 1 A 61 61 PHE H H 61 9.213 9.021 0.192 1 1 580 . 23 1 1 A 61 61 PHE HA H 61 4.788 5.238 -0.450 1 1 587 . 23 1 1 A 61 61 PHE C C 61 173.930 174.116 -0.186 1 1 588 . 23 1 1 A 61 61 PHE CA C 61 56.500 56.091 0.409 1 1 589 . 23 1 1 A 61 61 PHE CB C 61 41.860 41.912 -0.052 1 1 590 . 23 1 1 A 61 61 PHE N N 61 121.090 119.958 1.132 1 1 591 . 23 1 1 A 62 62 LEU H H 62 8.638 8.976 -0.338 1 1 592 . 23 1 1 A 62 62 LEU HA H 62 4.566 5.411 -0.845 1 1 602 . 23 1 1 A 62 62 LEU C C 62 176.570 174.682 1.888 1 1 603 . 23 1 1 A 62 62 LEU CA C 62 55.130 53.665 1.465 1 1 604 . 23 1 1 A 62 62 LEU CB C 62 43.620 45.262 -1.642 1 1 605 . 23 1 1 A 62 62 LEU N N 62 125.630 124.392 1.238 1 1 606 . 23 1 1 A 63 63 LEU H H 63 8.929 9.664 -0.735 1 1 607 . 23 1 1 A 63 63 LEU HA H 63 4.852 4.675 0.177 1 1 617 . 23 1 1 A 63 63 LEU C C 63 175.070 176.362 -1.292 1 1 618 . 23 1 1 A 63 63 LEU CA C 63 53.170 54.072 -0.902 1 1 619 . 23 1 1 A 63 63 LEU CB C 63 42.110 42.002 0.108 1 1 620 . 23 1 1 A 63 63 LEU N N 63 125.980 128.186 -2.206 1 1 621 . 23 1 1 A 64 64 ASP H H 64 8.601 9.020 -0.419 1 1 622 . 23 1 1 A 64 64 ASP HA H 64 4.736 4.972 -0.236 1 1 625 . 23 1 1 A 64 64 ASP C C 64 175.130 175.450 -0.320 1 1 626 . 23 1 1 A 64 64 ASP CA C 64 53.640 53.305 0.335 1 1 627 . 23 1 1 A 64 64 ASP CB C 64 41.020 42.586 -1.566 1 1 628 . 23 1 1 A 64 64 ASP N N 64 120.910 126.253 -5.343 1 1 629 . 23 1 1 A 65 65 GLN H H 65 7.497 7.515 -0.018 1 1 630 . 23 1 1 A 65 65 GLN HA H 65 4.856 4.843 0.013 1 1 637 . 23 1 1 A 65 65 GLN C C 65 173.550 175.345 -1.795 1 1 638 . 23 1 1 A 65 65 GLN CA C 65 52.780 53.119 -0.339 1 1 639 . 23 1 1 A 65 65 GLN N N 65 117.420 116.534 0.886 1 1 641 . 23 1 1 A 66 66 PRO HA H 66 4.190 4.905 -0.715 1 1 648 . 23 1 1 A 66 66 PRO C C 66 177.400 176.738 0.662 1 1 649 . 23 1 1 A 66 66 PRO CA C 66 66.810 64.748 2.062 1 1 650 . 23 1 1 A 66 66 PRO CB C 66 32.370 32.196 0.174 1 1 651 . 23 1 1 A 67 67 THR H H 67 7.647 7.487 0.160 1 1 652 . 23 1 1 A 67 67 THR HA H 67 4.811 5.089 -0.278 1 1 657 . 23 1 1 A 67 67 THR C C 67 173.280 173.350 -0.070 1 1 658 . 23 1 1 A 67 67 THR CA C 67 62.830 61.199 1.631 1 1 659 . 23 1 1 A 67 67 THR CB C 67 71.740 71.629 0.111 1 1 660 . 23 1 1 A 67 67 THR N N 67 109.270 112.168 -2.898 1 1 661 . 23 1 1 A 68 68 THR H H 68 8.919 9.445 -0.526 1 1 662 . 23 1 1 A 68 68 THR HA H 68 4.968 5.055 -0.087 1 1 667 . 23 1 1 A 68 68 THR C C 68 175.090 174.135 0.955 1 1 668 . 23 1 1 A 68 68 THR CA C 68 61.820 61.715 0.105 1 1 669 . 23 1 1 A 68 68 THR CB C 68 70.730 71.349 -0.619 1 1 670 . 23 1 1 A 68 68 THR N N 68 125.610 123.153 2.457 1 1 671 . 23 1 1 A 69 69 THR H H 69 10.398 9.344 1.054 1 1 672 . 23 1 1 A 69 69 THR HA H 69 4.491 5.050 -0.559 1 1 677 . 23 1 1 A 69 69 THR C C 69 173.140 174.175 -1.035 1 1 678 . 23 1 1 A 69 69 THR CA C 69 61.790 60.854 0.936 1 1 679 . 23 1 1 A 69 69 THR CB C 69 70.820 70.193 0.627 1 1 680 . 23 1 1 A 69 69 THR N N 69 121.520 118.879 2.641 1 1 681 . 23 1 1 A 70 70 ALA H H 70 8.722 9.151 -0.429 1 1 682 . 23 1 1 A 70 70 ALA HA H 70 5.696 5.488 0.208 1 1 686 . 23 1 1 A 70 70 ALA C C 70 175.840 177.318 -1.478 1 1 687 . 23 1 1 A 70 70 ALA CA C 70 50.030 50.413 -0.383 1 1 688 . 23 1 1 A 70 70 ALA CB C 70 22.300 22.530 -0.230 1 1 689 . 23 1 1 A 70 70 ALA N N 70 122.410 125.683 -3.273 1 1 690 . 23 1 1 A 71 71 GLY H H 71 8.430 8.137 0.293 1 1 691 . 23 1 1 A 71 71 GLY HA2 H 71 4.474 4.317 0.157 1 1 692 . 23 1 1 A 71 71 GLY HA3 H 71 3.903 4.325 -0.422 1 1 693 . 23 1 1 A 71 71 GLY C C 71 170.540 171.546 -1.006 1 1 694 . 23 1 1 A 71 71 GLY CA C 71 46.300 46.278 0.022 1 1 695 . 23 1 1 A 71 71 GLY N N 71 108.960 107.586 1.374 1 1 696 . 23 1 1 A 72 72 ARG H H 72 8.341 8.884 -0.543 1 1 697 . 23 1 1 A 72 72 ARG HA H 72 4.481 5.446 -0.965 1 1 702 . 23 1 1 A 72 72 ARG C C 72 175.720 175.514 0.206 1 1 703 . 23 1 1 A 72 72 ARG CA C 72 54.800 55.004 -0.204 1 1 704 . 23 1 1 A 72 72 ARG CB C 72 32.540 32.128 0.412 1 1 705 . 23 1 1 A 72 72 ARG N N 72 120.930 121.446 -0.516 1 1 706 . 23 1 1 A 73 73 HIS H H 73 9.295 8.725 0.570 1 1 707 . 23 1 1 A 73 73 HIS HA H 73 4.403 4.873 -0.470 1 1 712 . 23 1 1 A 73 73 HIS C C 73 176.860 175.473 1.387 1 1 713 . 23 1 1 A 73 73 HIS CA C 73 57.050 57.056 -0.006 1 1 714 . 23 1 1 A 73 73 HIS N N 73 125.290 122.075 3.215 1 1 715 . 23 1 1 A 74 74 PRO HA H 74 4.373 4.401 -0.028 1 1 722 . 23 1 1 A 74 74 PRO C C 74 177.590 177.369 0.221 1 1 723 . 23 1 1 A 74 74 PRO CA C 74 64.930 63.980 0.950 1 1 724 . 23 1 1 A 74 74 PRO CB C 74 32.030 31.687 0.343 1 1 725 . 23 1 1 A 75 75 GLU H H 75 10.575 8.705 1.870 1 1 726 . 23 1 1 A 75 75 GLU HA H 75 4.352 4.156 0.196 1 1 731 . 23 1 1 A 75 75 GLU C C 75 177.320 176.990 0.330 1 1 732 . 23 1 1 A 75 75 GLU CA C 75 56.070 58.124 -2.054 1 1 733 . 23 1 1 A 75 75 GLU CB C 75 29.010 30.169 -1.159 1 1 734 . 23 1 1 A 75 75 GLU N N 75 119.840 119.007 0.833 1 1 735 . 23 1 1 A 76 76 SER H H 76 8.236 7.742 0.494 1 1 736 . 23 1 1 A 76 76 SER HA H 76 4.100 4.762 -0.662 1 1 739 . 23 1 1 A 76 76 SER C C 76 173.120 174.654 -1.534 1 1 740 . 23 1 1 A 76 76 SER CA C 76 60.160 58.185 1.975 1 1 741 . 23 1 1 A 76 76 SER CB C 76 65.530 64.903 0.627 1 1 742 . 23 1 1 A 76 76 SER N N 76 118.860 115.260 3.600 1 1 743 . 23 1 1 A 77 77 ASP H H 77 8.541 8.572 -0.031 1 1 744 . 23 1 1 A 77 77 ASP HA H 77 4.344 4.417 -0.073 1 1 747 . 23 1 1 A 77 77 ASP C C 77 177.590 176.978 0.612 1 1 748 . 23 1 1 A 77 77 ASP CA C 77 58.380 58.083 0.297 1 1 749 . 23 1 1 A 77 77 ASP CB C 77 42.110 41.030 1.080 1 1 750 . 23 1 1 A 77 77 ASP N N 77 126.720 122.876 3.844 1 1 751 . 23 1 1 A 78 78 ILE H H 78 8.571 8.423 0.148 1 1 752 . 23 1 1 A 78 78 ILE HA H 78 3.563 3.996 -0.433 1 1 762 . 23 1 1 A 78 78 ILE C C 78 172.930 174.685 -1.755 1 1 763 . 23 1 1 A 78 78 ILE CA C 78 60.880 60.251 0.629 1 1 764 . 23 1 1 A 78 78 ILE CB C 78 37.410 37.568 -0.158 1 1 765 . 23 1 1 A 78 78 ILE N N 78 120.210 119.822 0.388 1 1 766 . 23 1 1 A 79 79 PHE H H 79 8.018 9.005 -0.987 1 1 767 . 23 1 1 A 79 79 PHE HA H 79 5.018 4.715 0.303 1 1 775 . 23 1 1 A 79 79 PHE C C 79 174.130 173.905 0.225 1 1 776 . 23 1 1 A 79 79 PHE CA C 79 55.780 56.409 -0.629 1 1 777 . 23 1 1 A 79 79 PHE CB C 79 39.170 39.879 -0.709 1 1 778 . 23 1 1 A 79 79 PHE N N 79 127.300 128.909 -1.609 1 1 779 . 23 1 1 A 80 80 LEU H H 80 7.695 8.723 -1.028 1 1 780 . 23 1 1 A 80 80 LEU HA H 80 3.619 4.527 -0.908 1 1 790 . 23 1 1 A 80 80 LEU C C 80 173.720 174.421 -0.701 1 1 791 . 23 1 1 A 80 80 LEU CA C 80 52.340 53.109 -0.769 1 1 792 . 23 1 1 A 80 80 LEU CB C 80 41.770 45.684 -3.914 1 1 793 . 23 1 1 A 80 80 LEU N N 80 131.810 128.171 3.639 1 1 794 . 23 1 1 A 81 81 ASP H H 81 7.974 8.348 -0.374 1 1 795 . 23 1 1 A 81 81 ASP HA H 81 4.141 4.872 -0.731 1 1 798 . 23 1 1 A 81 81 ASP C C 81 175.130 174.389 0.741 1 1 799 . 23 1 1 A 81 81 ASP CA C 81 53.210 52.688 0.522 1 1 800 . 23 1 1 A 81 81 ASP CB C 81 39.930 42.507 -2.577 1 1 801 . 23 1 1 A 81 81 ASP N N 81 121.130 123.710 -2.580 1 1 802 . 23 1 1 A 82 82 ASP H H 82 7.583 8.414 -0.831 1 1 803 . 23 1 1 A 82 82 ASP HA H 82 4.859 5.143 -0.284 1 1 806 . 23 1 1 A 82 82 ASP C C 82 176.760 176.002 0.758 1 1 807 . 23 1 1 A 82 82 ASP CA C 82 54.980 52.047 2.933 1 1 808 . 23 1 1 A 82 82 ASP CB C 82 39.170 43.859 -4.689 1 1 809 . 23 1 1 A 82 82 ASP N N 82 121.540 126.215 -4.675 1 1 810 . 23 1 1 A 83 83 VAL H H 83 8.344 8.136 0.208 1 1 811 . 23 1 1 A 83 83 VAL HA H 83 4.012 3.630 0.382 1 1 819 . 23 1 1 A 83 83 VAL C C 83 174.860 175.506 -0.646 1 1 820 . 23 1 1 A 83 83 VAL CA C 83 65.330 65.135 0.195 1 1 821 . 23 1 1 A 83 83 VAL CB C 83 31.530 31.254 0.276 1 1 822 . 23 1 1 A 83 83 VAL N N 83 122.260 120.789 1.471 1 1 823 . 23 1 1 A 84 84 THR H H 84 8.268 7.676 0.592 1 1 824 . 23 1 1 A 84 84 THR HA H 84 4.540 4.643 -0.103 1 1 828 . 23 1 1 A 84 84 THR C C 84 175.360 172.968 2.392 1 1 829 . 23 1 1 A 84 84 THR CA C 84 63.810 59.417 4.393 1 1 830 . 23 1 1 A 84 84 THR CB C 84 70.900 71.109 -0.209 1 1 831 . 23 1 1 A 84 84 THR N N 84 110.620 113.005 -2.385 1 1 832 . 23 1 1 A 85 85 VAL H H 85 8.579 8.743 -0.164 1 1 833 . 23 1 1 A 85 85 VAL HA H 85 4.254 4.351 -0.097 1 1 841 . 23 1 1 A 85 85 VAL C C 85 177.070 175.463 1.607 1 1 842 . 23 1 1 A 85 85 VAL CA C 85 61.930 62.934 -1.004 1 1 843 . 23 1 1 A 85 85 VAL CB C 85 32.450 31.026 1.424 1 1 844 . 23 1 1 A 85 85 VAL N N 85 126.860 123.542 3.318 1 1 845 . 23 1 1 A 86 86 SER H H 86 11.668 8.918 2.750 1 1 846 . 23 1 1 A 86 86 SER HA H 86 5.203 4.719 0.484 1 1 849 . 23 1 1 A 86 86 SER C C 86 175.470 175.361 0.109 1 1 850 . 23 1 1 A 86 86 SER CA C 86 61.600 57.834 3.766 1 1 851 . 23 1 1 A 86 86 SER CB C 86 64.270 61.365 2.905 1 1 852 . 23 1 1 A 86 86 SER N N 86 128.670 125.758 2.912 1 1 853 . 23 1 1 A 87 87 ARG H H 87 10.946 8.237 2.709 1 1 854 . 23 1 1 A 87 87 ARG HA H 87 5.179 4.211 0.968 1 1 862 . 23 1 1 A 87 87 ARG C C 87 177.110 176.619 0.491 1 1 863 . 23 1 1 A 87 87 ARG CA C 87 60.810 58.685 2.125 1 1 864 . 23 1 1 A 87 87 ARG CB C 87 29.010 30.252 -1.242 1 1 865 . 23 1 1 A 87 87 ARG N N 87 126.810 123.519 3.291 1 1 867 . 23 1 1 A 88 88 ARG H H 88 7.946 7.863 0.083 1 1 868 . 23 1 1 A 88 88 ARG HA H 88 4.459 4.708 -0.249 1 1 876 . 23 1 1 A 88 88 ARG C C 88 172.990 175.733 -2.743 1 1 877 . 23 1 1 A 88 88 ARG CA C 88 55.060 54.963 0.097 1 1 878 . 23 1 1 A 88 88 ARG CB C 88 29.770 31.006 -1.236 1 1 879 . 23 1 1 A 88 88 ARG N N 88 115.670 119.356 -3.686 1 1 881 . 23 1 1 A 89 89 HIS H H 89 7.613 9.052 -1.439 1 1 882 . 23 1 1 A 89 89 HIS HA H 89 4.437 4.665 -0.228 1 1 888 . 23 1 1 A 89 89 HIS C C 89 174.050 175.024 -0.974 1 1 889 . 23 1 1 A 89 89 HIS CA C 89 58.420 58.076 0.344 1 1 890 . 23 1 1 A 89 89 HIS CB C 89 32.620 31.883 0.737 1 1 891 . 23 1 1 A 89 89 HIS N N 89 124.000 124.344 -0.344 1 1 893 . 23 1 1 A 90 90 ALA H H 90 8.454 7.255 1.199 1 1 894 . 23 1 1 A 90 90 ALA HA H 90 5.529 4.444 1.085 1 1 898 . 23 1 1 A 90 90 ALA C C 90 176.260 175.163 1.097 1 1 899 . 23 1 1 A 90 90 ALA CA C 90 50.240 51.430 -1.190 1 1 900 . 23 1 1 A 90 90 ALA CB C 90 23.220 22.305 0.915 1 1 901 . 23 1 1 A 90 90 ALA N N 90 116.480 118.338 -1.858 1 1 902 . 23 1 1 A 91 91 GLU H H 91 9.216 8.937 0.279 1 1 903 . 23 1 1 A 91 91 GLU HA H 91 4.931 5.213 -0.282 1 1 908 . 23 1 1 A 91 91 GLU C C 91 173.910 174.260 -0.350 1 1 909 . 23 1 1 A 91 91 GLU CA C 91 54.690 54.609 0.081 1 1 910 . 23 1 1 A 91 91 GLU CB C 91 34.720 33.499 1.221 1 1 911 . 23 1 1 A 91 91 GLU N N 91 118.140 116.751 1.389 1 1 912 . 23 1 1 A 92 92 PHE H H 92 9.330 9.632 -0.302 1 1 913 . 23 1 1 A 92 92 PHE HA H 92 5.502 5.172 0.330 1 1 921 . 23 1 1 A 92 92 PHE C C 92 176.650 175.253 1.397 1 1 922 . 23 1 1 A 92 92 PHE CA C 92 56.760 56.887 -0.127 1 1 923 . 23 1 1 A 92 92 PHE CB C 92 41.690 40.378 1.312 1 1 924 . 23 1 1 A 92 92 PHE N N 92 119.490 121.314 -1.824 1 1 925 . 23 1 1 A 93 93 ARG H H 93 9.846 9.359 0.487 1 1 926 . 23 1 1 A 93 93 ARG HA H 93 5.610 5.345 0.265 1 1 934 . 23 1 1 A 93 93 ARG C C 93 175.010 175.058 -0.048 1 1 935 . 23 1 1 A 93 93 ARG CA C 93 54.580 54.850 -0.270 1 1 936 . 23 1 1 A 93 93 ARG CB C 93 34.220 32.655 1.565 1 1 937 . 23 1 1 A 93 93 ARG N N 93 127.300 123.034 4.266 1 1 939 . 23 1 1 A 94 94 ILE H H 94 8.521 8.984 -0.463 1 1 940 . 23 1 1 A 94 94 ILE HA H 94 4.410 4.933 -0.523 1 1 950 . 23 1 1 A 94 94 ILE C C 94 176.420 174.894 1.526 1 1 951 . 23 1 1 A 94 94 ILE CA C 94 61.130 60.300 0.830 1 1 952 . 23 1 1 A 94 94 ILE CB C 94 38.830 39.241 -0.411 1 1 953 . 23 1 1 A 94 94 ILE N N 94 121.680 124.726 -3.046 1 1 954 . 23 1 1 A 95 95 ASN H H 95 8.847 8.808 0.039 1 1 955 . 23 1 1 A 95 95 ASN HA H 95 4.796 5.050 -0.254 1 1 960 . 23 1 1 A 95 95 ASN C C 95 174.430 174.855 -0.425 1 1 961 . 23 1 1 A 95 95 ASN CA C 95 52.560 51.920 0.640 1 1 962 . 23 1 1 A 95 95 ASN CB C 95 40.510 41.156 -0.646 1 1 963 . 23 1 1 A 95 95 ASN N N 95 127.100 124.680 2.420 1 1 965 . 23 1 1 A 96 96 GLU H H 96 9.303 9.384 -0.081 1 1 966 . 23 1 1 A 96 96 GLU HA H 96 3.768 4.005 -0.237 1 1 971 . 23 1 1 A 96 96 GLU C C 96 176.280 176.463 -0.183 1 1 972 . 23 1 1 A 96 96 GLU CA C 96 57.150 57.672 -0.522 1 1 973 . 23 1 1 A 96 96 GLU CB C 96 27.590 28.264 -0.674 1 1 974 . 23 1 1 A 96 96 GLU N N 96 125.150 125.052 0.098 1 1 975 . 23 1 1 A 97 97 GLY H H 97 7.937 8.412 -0.475 1 1 976 . 23 1 1 A 97 97 GLY HA2 H 97 4.042 3.699 0.343 1 1 977 . 23 1 1 A 97 97 GLY HA3 H 97 3.450 3.762 -0.312 1 1 978 . 23 1 1 A 97 97 GLY C C 97 172.990 173.567 -0.577 1 1 979 . 23 1 1 A 97 97 GLY CA C 97 45.390 45.292 0.098 1 1 980 . 23 1 1 A 97 97 GLY N N 97 104.330 103.988 0.342 1 1 981 . 23 1 1 A 98 98 GLU H H 98 7.557 7.628 -0.071 1 1 982 . 23 1 1 A 98 98 GLU HA H 98 4.591 4.791 -0.200 1 1 987 . 23 1 1 A 98 98 GLU C C 98 174.530 174.995 -0.465 1 1 988 . 23 1 1 A 98 98 GLU CA C 98 54.770 54.204 0.566 1 1 989 . 23 1 1 A 98 98 GLU CB C 98 32.290 32.946 -0.656 1 1 990 . 23 1 1 A 98 98 GLU N N 98 119.350 119.506 -0.156 1 1 991 . 23 1 1 A 99 99 PHE H H 99 9.412 8.870 0.542 1 1 992 . 23 1 1 A 99 99 PHE HA H 99 5.007 5.232 -0.225 1 1 999 . 23 1 1 A 99 99 PHE C C 99 174.050 175.142 -1.092 1 1 1000 . 23 1 1 A 99 99 PHE CA C 99 57.260 56.901 0.359 1 1 1001 . 23 1 1 A 99 99 PHE CB C 99 42.110 40.861 1.249 1 1 1002 . 23 1 1 A 99 99 PHE N N 99 122.550 121.145 1.405 1 1 1003 . 23 1 1 A 100 100 GLU H H 100 9.444 9.757 -0.313 1 1 1004 . 23 1 1 A 100 100 GLU HA H 100 5.145 5.322 -0.177 1 1 1009 . 23 1 1 A 100 100 GLU C C 100 175.340 174.464 0.876 1 1 1010 . 23 1 1 A 100 100 GLU CA C 100 54.080 54.653 -0.573 1 1 1011 . 23 1 1 A 100 100 GLU CB C 100 34.720 32.813 1.907 1 1 1012 . 23 1 1 A 100 100 GLU N N 100 124.080 120.638 3.442 1 1 1013 . 23 1 1 A 101 101 VAL H H 101 8.726 9.386 -0.660 1 1 1014 . 23 1 1 A 101 101 VAL HA H 101 4.900 4.455 0.445 1 1 1022 . 23 1 1 A 101 101 VAL C C 101 172.510 175.225 -2.715 1 1 1023 . 23 1 1 A 101 101 VAL CA C 101 58.710 61.386 -2.676 1 1 1024 . 23 1 1 A 101 101 VAL CB C 101 33.550 32.870 0.680 1 1 1025 . 23 1 1 A 101 101 VAL N N 101 124.500 125.119 -0.619 1 1 1026 . 23 1 1 A 102 102 VAL H H 102 8.719 9.134 -0.415 1 1 1027 . 23 1 1 A 102 102 VAL HA H 102 4.578 5.221 -0.643 1 1 1035 . 23 1 1 A 102 102 VAL C C 102 175.380 173.864 1.516 1 1 1036 . 23 1 1 A 102 102 VAL CA C 102 60.370 59.982 0.388 1 1 1037 . 23 1 1 A 102 102 VAL CB C 102 36.060 34.330 1.730 1 1 1038 . 23 1 1 A 102 102 VAL N N 102 125.900 122.329 3.571 1 1 1039 . 23 1 1 A 103 103 ASP H H 103 8.626 9.361 -0.735 1 1 1040 . 23 1 1 A 103 103 ASP HA H 103 4.856 4.561 0.295 1 1 1043 . 23 1 1 A 103 103 ASP C C 103 177.300 176.620 0.680 1 1 1044 . 23 1 1 A 103 103 ASP CA C 103 54.580 53.833 0.747 1 1 1045 . 23 1 1 A 103 103 ASP CB C 103 44.210 40.666 3.544 1 1 1046 . 23 1 1 A 103 103 ASP N N 103 127.250 126.909 0.341 1 1 1047 . 23 1 1 A 104 104 VAL H H 104 7.890 8.696 -0.806 1 1 1048 . 23 1 1 A 104 104 VAL HA H 104 4.527 4.386 0.141 1 1 1056 . 23 1 1 A 104 104 VAL C C 104 174.490 175.867 -1.377 1 1 1057 . 23 1 1 A 104 104 VAL CA C 104 60.630 61.745 -1.115 1 1 1058 . 23 1 1 A 104 104 VAL CB C 104 29.350 32.744 -3.394 1 1 1059 . 23 1 1 A 104 104 VAL N N 104 119.270 120.718 -1.448 1 1 1060 . 23 1 1 A 105 105 GLY H H 105 8.690 7.545 1.145 1 1 1061 . 23 1 1 A 105 105 GLY HA2 H 105 4.270 4.244 0.026 1 1 1062 . 23 1 1 A 105 105 GLY HA3 H 105 3.685 4.266 -0.581 1 1 1063 . 23 1 1 A 105 105 GLY C C 105 175.490 173.109 2.381 1 1 1064 . 23 1 1 A 105 105 GLY CA C 105 45.650 45.139 0.511 1 1 1065 . 23 1 1 A 105 105 GLY N N 105 111.790 109.670 2.120 1 1 1066 . 23 1 1 A 106 106 SER H H 106 9.218 9.143 0.075 1 1 1067 . 23 1 1 A 106 106 SER HA H 106 3.894 4.535 -0.641 1 1 1070 . 23 1 1 A 106 106 SER C C 106 174.590 174.703 -0.113 1 1 1071 . 23 1 1 A 106 106 SER CA C 106 58.600 57.663 0.937 1 1 1072 . 23 1 1 A 106 106 SER CB C 106 61.250 61.070 0.180 1 1 1073 . 23 1 1 A 106 106 SER N N 106 121.540 122.658 -1.118 1 1 1074 . 23 1 1 A 107 107 LEU H H 107 8.018 8.400 -0.382 1 1 1075 . 23 1 1 A 107 107 LEU HA H 107 4.240 4.431 -0.191 1 1 1085 . 23 1 1 A 107 107 LEU C C 107 179.420 177.533 1.887 1 1 1086 . 23 1 1 A 107 107 LEU CA C 107 57.590 55.690 1.900 1 1 1087 . 23 1 1 A 107 107 LEU CB C 107 42.360 42.669 -0.309 1 1 1088 . 23 1 1 A 107 107 LEU N N 107 121.520 121.832 -0.312 1 1 1089 . 23 1 1 A 108 108 ASN H H 108 8.799 7.823 0.976 1 1 1090 . 23 1 1 A 108 108 ASN HA H 108 4.986 4.087 0.899 1 1 1093 . 23 1 1 A 108 108 ASN C C 108 175.950 175.589 0.361 1 1 1094 . 23 1 1 A 108 108 ASN CA C 108 54.440 53.014 1.426 1 1 1095 . 23 1 1 A 108 108 ASN CB C 108 41.180 39.338 1.842 1 1 1096 . 23 1 1 A 108 108 ASN N N 108 111.800 116.473 -4.673 1 1 1097 . 23 1 1 A 109 109 GLY H H 109 8.025 7.953 0.072 1 1 1098 . 23 1 1 A 109 109 GLY HA2 H 109 4.237 4.005 0.232 1 1 1099 . 23 1 1 A 109 109 GLY HA3 H 109 3.621 4.127 -0.506 1 1 1100 . 23 1 1 A 109 109 GLY C C 109 173.820 173.812 0.008 1 1 1101 . 23 1 1 A 109 109 GLY CA C 109 44.340 44.888 -0.548 1 1 1102 . 23 1 1 A 109 109 GLY N N 109 110.600 106.941 3.659 1 1 1103 . 23 1 1 A 110 110 THR H H 110 8.770 8.968 -0.198 1 1 1104 . 23 1 1 A 110 110 THR HA H 110 4.797 4.616 0.181 1 1 1109 . 23 1 1 A 110 110 THR C C 110 172.570 173.903 -1.333 1 1 1110 . 23 1 1 A 110 110 THR CA C 110 64.540 63.421 1.119 1 1 1111 . 23 1 1 A 110 110 THR CB C 110 70.230 69.020 1.210 1 1 1112 . 23 1 1 A 110 110 THR N N 110 121.240 118.837 2.403 1 1 1113 . 23 1 1 A 111 111 TYR H H 111 8.272 9.093 -0.821 1 1 1114 . 23 1 1 A 111 111 TYR HA H 111 5.155 5.542 -0.387 1 1 1121 . 23 1 1 A 111 111 TYR C C 111 175.860 175.068 0.792 1 1 1122 . 23 1 1 A 111 111 TYR CA C 111 55.820 56.593 -0.773 1 1 1123 . 23 1 1 A 111 111 TYR CB C 111 41.100 40.521 0.579 1 1 1124 . 23 1 1 A 111 111 TYR N N 111 123.680 126.512 -2.832 1 1 1125 . 23 1 1 A 112 112 VAL H H 112 9.017 9.283 -0.266 1 1 1126 . 23 1 1 A 112 112 VAL HA H 112 4.951 4.756 0.195 1 1 1134 . 23 1 1 A 112 112 VAL C C 112 176.780 176.224 0.556 1 1 1135 . 23 1 1 A 112 112 VAL CA C 112 61.130 61.155 -0.025 1 1 1136 . 23 1 1 A 112 112 VAL CB C 112 32.870 34.485 -1.615 1 1 1137 . 23 1 1 A 112 112 VAL N N 112 121.300 123.456 -2.156 1 1 1138 . 23 1 1 A 113 113 ASN H H 113 10.285 9.779 0.506 1 1 1139 . 23 1 1 A 113 113 ASN HA H 113 4.483 4.313 0.170 1 1 1144 . 23 1 1 A 113 113 ASN C C 113 174.590 174.330 0.260 1 1 1145 . 23 1 1 A 113 113 ASN CA C 113 55.160 54.505 0.655 1 1 1146 . 23 1 1 A 113 113 ASN CB C 113 37.240 37.081 0.159 1 1 1147 . 23 1 1 A 113 113 ASN N N 113 129.510 127.203 2.307 1 1 1149 . 23 1 1 A 114 114 ARG H H 114 9.459 8.786 0.673 1 1 1150 . 23 1 1 A 114 114 ARG HA H 114 3.659 3.956 -0.297 1 1 1158 . 23 1 1 A 114 114 ARG C C 114 174.900 174.737 0.163 1 1 1159 . 23 1 1 A 114 114 ARG CA C 114 58.280 57.702 0.578 1 1 1160 . 23 1 1 A 114 114 ARG CB C 114 27.250 27.722 -0.472 1 1 1161 . 23 1 1 A 114 114 ARG N N 114 106.570 110.411 -3.841 1 1 1163 . 23 1 1 A 115 115 GLU H H 115 7.827 7.845 -0.018 1 1 1164 . 23 1 1 A 115 115 GLU HA H 115 5.153 4.712 0.441 1 1 1169 . 23 1 1 A 115 115 GLU C C 115 173.950 174.110 -0.160 1 1 1170 . 23 1 1 A 115 115 GLU CA C 115 52.990 52.689 0.301 1 1 1171 . 23 1 1 A 115 115 GLU N N 115 119.780 118.562 1.218 1 1 1172 . 23 1 1 A 116 116 PRO HA H 116 3.983 4.713 -0.730 1 1 1177 . 23 1 1 A 116 116 PRO C C 116 177.780 175.033 2.747 1 1 1178 . 23 1 1 A 116 116 PRO CA C 116 62.910 61.756 1.154 1 1 1179 . 23 1 1 A 116 116 PRO CB C 116 31.200 30.996 0.204 1 1 1180 . 23 1 1 A 117 117 ARG H H 117 8.414 8.471 -0.057 1 1 1181 . 23 1 1 A 117 117 ARG HA H 117 4.699 4.721 -0.022 1 1 1189 . 23 1 1 A 117 117 ARG C C 117 175.260 174.811 0.449 1 1 1190 . 23 1 1 A 117 117 ARG CA C 117 52.990 54.674 -1.684 1 1 1191 . 23 1 1 A 117 117 ARG CB C 117 24.560 33.589 -9.029 1 1 1192 . 23 1 1 A 117 117 ARG N N 117 121.900 123.415 -1.515 1 1 1194 . 23 1 1 A 118 118 ASN H H 118 8.741 8.673 0.068 1 1 1195 . 23 1 1 A 118 118 ASN HA H 118 4.731 4.695 0.036 1 1 1200 . 23 1 1 A 118 118 ASN C C 118 175.220 175.235 -0.015 1 1 1201 . 23 1 1 A 118 118 ASN CA C 118 55.090 54.907 0.183 1 1 1202 . 23 1 1 A 118 118 ASN CB C 118 38.920 40.392 -1.472 1 1 1203 . 23 1 1 A 118 118 ASN N N 118 120.190 119.333 0.857 1 1 1205 . 23 1 1 A 119 119 ALA H H 119 7.372 7.732 -0.360 1 1 1206 . 23 1 1 A 119 119 ALA HA H 119 5.319 5.110 0.209 1 1 1210 . 23 1 1 A 119 119 ALA C C 119 176.720 175.154 1.566 1 1 1211 . 23 1 1 A 119 119 ALA CA C 119 52.120 50.259 1.861 1 1 1212 . 23 1 1 A 119 119 ALA CB C 119 21.460 22.176 -0.716 1 1 1213 . 23 1 1 A 119 119 ALA N N 119 120.380 119.771 0.609 1 1 1214 . 23 1 1 A 120 120 GLN H H 120 8.787 8.564 0.223 1 1 1215 . 23 1 1 A 120 120 GLN HA H 120 4.505 4.589 -0.084 1 1 1222 . 23 1 1 A 120 120 GLN C C 120 174.380 173.969 0.411 1 1 1223 . 23 1 1 A 120 120 GLN CA C 120 56.030 54.982 1.048 1 1 1224 . 23 1 1 A 120 120 GLN CB C 120 32.790 32.955 -0.165 1 1 1225 . 23 1 1 A 120 120 GLN N N 120 121.180 121.407 -0.227 1 1 1227 . 23 1 1 A 121 121 VAL H H 121 8.692 8.666 0.026 1 1 1228 . 23 1 1 A 121 121 VAL HA H 121 4.258 4.491 -0.233 1 1 1236 . 23 1 1 A 121 121 VAL C C 121 176.510 174.902 1.608 1 1 1237 . 23 1 1 A 121 121 VAL CA C 121 64.140 62.468 1.672 1 1 1238 . 23 1 1 A 121 121 VAL CB C 121 31.700 32.146 -0.446 1 1 1239 . 23 1 1 A 121 121 VAL N N 121 129.930 126.776 3.154 1 1 1240 . 23 1 1 A 122 122 MET H H 122 8.924 9.440 -0.516 1 1 1241 . 23 1 1 A 122 122 MET HA H 122 4.419 4.812 -0.393 1 1 1249 . 23 1 1 A 122 122 MET C C 122 174.380 175.624 -1.244 1 1 1250 . 23 1 1 A 122 122 MET CA C 122 55.740 54.043 1.697 1 1 1251 . 23 1 1 A 122 122 MET CB C 122 35.140 34.089 1.051 1 1 1252 . 23 1 1 A 122 122 MET N N 122 129.560 127.727 1.833 1 1 1253 . 23 1 1 A 123 123 GLN H H 123 9.002 8.952 0.050 1 1 1254 . 23 1 1 A 123 123 GLN HA H 123 4.823 4.923 -0.100 1 1 1261 . 23 1 1 A 123 123 GLN C C 123 175.530 175.268 0.262 1 1 1262 . 23 1 1 A 123 123 GLN CA C 123 53.570 54.406 -0.836 1 1 1263 . 23 1 1 A 123 123 GLN CB C 123 32.290 32.534 -0.244 1 1 1264 . 23 1 1 A 123 123 GLN N N 123 119.810 125.371 -5.561 1 1 1266 . 23 1 1 A 124 124 THR H H 124 9.036 8.370 0.666 1 1 1267 . 23 1 1 A 124 124 THR HA H 124 4.208 4.082 0.126 1 1 1272 . 23 1 1 A 124 124 THR C C 124 175.300 175.712 -0.412 1 1 1273 . 23 1 1 A 124 124 THR CA C 124 65.510 63.835 1.675 1 1 1274 . 23 1 1 A 124 124 THR CB C 124 69.560 68.671 0.889 1 1 1275 . 23 1 1 A 124 124 THR N N 124 119.570 117.312 2.258 1 1 1276 . 23 1 1 A 125 125 GLY H H 125 9.921 9.429 0.492 1 1 1277 . 23 1 1 A 125 125 GLY HA2 H 125 4.552 4.041 0.511 1 1 1278 . 23 1 1 A 125 125 GLY HA3 H 125 3.480 4.050 -0.570 1 1 1279 . 23 1 1 A 125 125 GLY C C 125 174.650 174.275 0.375 1 1 1280 . 23 1 1 A 125 125 GLY CA C 125 44.710 44.948 -0.238 1 1 1281 . 23 1 1 A 125 125 GLY N N 125 117.920 117.330 0.590 1 1 1282 . 23 1 1 A 126 126 ASP H H 126 8.638 7.959 0.679 1 1 1283 . 23 1 1 A 126 126 ASP HA H 126 4.876 4.846 0.030 1 1 1286 . 23 1 1 A 126 126 ASP C C 126 174.650 175.970 -1.320 1 1 1287 . 23 1 1 A 126 126 ASP CA C 126 56.140 54.218 1.922 1 1 1288 . 23 1 1 A 126 126 ASP CB C 126 41.690 42.147 -0.457 1 1 1289 . 23 1 1 A 126 126 ASP N N 126 123.190 121.252 1.938 1 1 1290 . 23 1 1 A 127 127 GLU H H 127 8.316 9.119 -0.803 1 1 1291 . 23 1 1 A 127 127 GLU HA H 127 5.341 5.195 0.146 1 1 1296 . 23 1 1 A 127 127 GLU C C 127 175.990 175.170 0.820 1 1 1297 . 23 1 1 A 127 127 GLU CA C 127 54.440 54.998 -0.558 1 1 1298 . 23 1 1 A 127 127 GLU CB C 127 32.790 32.731 0.059 1 1 1299 . 23 1 1 A 127 127 GLU N N 127 118.480 118.421 0.059 1 1 1300 . 23 1 1 A 128 128 ILE H H 128 9.910 9.344 0.566 1 1 1301 . 23 1 1 A 128 128 ILE HA H 128 5.334 5.377 -0.043 1 1 1311 . 23 1 1 A 128 128 ILE C C 128 174.700 174.323 0.377 1 1 1312 . 23 1 1 A 128 128 ILE CA C 128 59.470 60.060 -0.590 1 1 1313 . 23 1 1 A 128 128 ILE CB C 128 40.600 41.277 -0.677 1 1 1314 . 23 1 1 A 128 128 ILE N N 128 128.810 123.592 5.218 1 1 1315 . 23 1 1 A 129 129 GLN H H 129 9.502 9.387 0.115 1 1 1316 . 23 1 1 A 129 129 GLN HA H 129 5.406 5.204 0.202 1 1 1323 . 23 1 1 A 129 129 GLN C C 129 174.950 174.417 0.533 1 1 1324 . 23 1 1 A 129 129 GLN CA C 129 54.800 53.992 0.808 1 1 1325 . 23 1 1 A 129 129 GLN CB C 129 30.690 32.161 -1.471 1 1 1326 . 23 1 1 A 129 129 GLN N N 129 129.270 128.085 1.185 1 1 1328 . 23 1 1 A 130 130 ILE H H 130 8.498 8.540 -0.042 1 1 1329 . 23 1 1 A 130 130 ILE HA H 130 4.116 4.327 -0.211 1 1 1339 . 23 1 1 A 130 130 ILE C C 130 174.860 175.698 -0.838 1 1 1340 . 23 1 1 A 130 130 ILE CA C 130 60.740 59.810 0.930 1 1 1341 . 23 1 1 A 130 130 ILE CB C 130 41.440 38.856 2.584 1 1 1342 . 23 1 1 A 130 130 ILE N N 130 129.070 126.945 2.125 1 1 1343 . 23 1 1 A 131 131 GLY H H 131 9.924 8.755 1.169 1 1 1344 . 23 1 1 A 131 131 GLY HA2 H 131 3.768 3.772 -0.004 1 1 1345 . 23 1 1 A 131 131 GLY HA3 H 131 3.337 3.810 -0.473 1 1 1346 . 23 1 1 A 131 131 GLY C C 131 174.590 174.609 -0.019 1 1 1347 . 23 1 1 A 131 131 GLY CA C 131 46.700 47.228 -0.528 1 1 1348 . 23 1 1 A 131 131 GLY N N 131 116.470 117.693 -1.223 1 1 1349 . 23 1 1 A 132 132 LYS H H 132 7.141 8.541 -1.400 1 1 1350 . 23 1 1 A 132 132 LYS HA H 132 3.750 4.351 -0.601 1 1 1357 . 23 1 1 A 132 132 LYS C C 132 175.820 176.018 -0.198 1 1 1358 . 23 1 1 A 132 132 LYS CA C 132 57.550 56.183 1.367 1 1 1359 . 23 1 1 A 132 132 LYS CB C 132 33.300 33.629 -0.329 1 1 1360 . 23 1 1 A 132 132 LYS N N 132 122.960 126.100 -3.140 1 1 1361 . 23 1 1 A 133 133 PHE H H 133 8.360 7.150 1.210 1 1 1362 . 23 1 1 A 133 133 PHE HA H 133 4.601 5.473 -0.872 1 1 1370 . 23 1 1 A 133 133 PHE C C 133 174.910 173.674 1.236 1 1 1371 . 23 1 1 A 133 133 PHE CA C 133 58.600 54.960 3.640 1 1 1372 . 23 1 1 A 133 133 PHE CB C 133 40.510 42.787 -2.277 1 1 1373 . 23 1 1 A 133 133 PHE N N 133 118.170 114.812 3.358 1 1 1374 . 23 1 1 A 134 134 ARG H H 134 8.698 8.748 -0.050 1 1 1375 . 23 1 1 A 134 134 ARG HA H 134 5.212 5.237 -0.025 1 1 1383 . 23 1 1 A 134 134 ARG C C 134 175.150 174.999 0.151 1 1 1384 . 23 1 1 A 134 134 ARG CA C 134 55.060 54.817 0.243 1 1 1385 . 23 1 1 A 134 134 ARG CB C 134 33.550 33.223 0.327 1 1 1386 . 23 1 1 A 134 134 ARG N N 134 120.770 119.776 0.994 1 1 1388 . 23 1 1 A 135 135 LEU H H 135 9.904 9.543 0.361 1 1 1389 . 23 1 1 A 135 135 LEU HA H 135 5.544 5.446 0.098 1 1 1399 . 23 1 1 A 135 135 LEU C C 135 175.260 175.732 -0.472 1 1 1400 . 23 1 1 A 135 135 LEU CA C 135 53.930 53.588 0.342 1 1 1401 . 23 1 1 A 135 135 LEU CB C 135 45.550 45.228 0.322 1 1 1402 . 23 1 1 A 135 135 LEU N N 135 127.130 125.259 1.871 1 1 1403 . 23 1 1 A 136 136 VAL H H 136 9.350 9.307 0.043 1 1 1404 . 23 1 1 A 136 136 VAL HA H 136 5.226 4.825 0.401 1 1 1412 . 23 1 1 A 136 136 VAL C C 136 174.050 174.149 -0.099 1 1 1413 . 23 1 1 A 136 136 VAL CA C 136 60.520 60.307 0.213 1 1 1414 . 23 1 1 A 136 136 VAL CB C 136 34.890 33.986 0.904 1 1 1415 . 23 1 1 A 136 136 VAL N N 136 121.300 122.607 -1.307 1 1 1416 . 23 1 1 A 137 137 PHE H H 137 8.492 9.230 -0.738 1 1 1417 . 23 1 1 A 137 137 PHE HA H 137 5.007 5.063 -0.056 1 1 1424 . 23 1 1 A 137 137 PHE C C 137 173.340 173.981 -0.641 1 1 1425 . 23 1 1 A 137 137 PHE CA C 137 57.010 56.504 0.506 1 1 1426 . 23 1 1 A 137 137 PHE CB C 137 41.770 41.614 0.156 1 1 1427 . 23 1 1 A 137 137 PHE N N 137 127.550 128.643 -1.093 1 1 1428 . 23 1 1 A 138 138 LEU H H 138 8.535 8.698 -0.163 1 1 1429 . 23 1 1 A 138 138 LEU HA H 138 4.345 5.006 -0.661 1 1 1439 . 23 1 1 A 138 138 LEU C C 138 173.390 175.252 -1.862 1 1 1440 . 23 1 1 A 138 138 LEU CA C 138 53.680 53.249 0.431 1 1 1441 . 23 1 1 A 138 138 LEU CB C 138 45.210 45.341 -0.131 1 1 1442 . 23 1 1 A 138 138 LEU N N 138 128.590 127.447 1.143 1 1 1443 . 23 1 1 A 139 139 ALA H H 139 7.502 8.268 -0.766 1 1 1444 . 23 1 1 A 139 139 ALA HA H 139 3.952 4.070 -0.118 1 1 1448 . 23 1 1 A 139 139 ALA C C 139 178.010 177.861 0.149 1 1 1449 . 23 1 1 A 139 139 ALA CA C 139 51.650 51.682 -0.032 1 1 1450 . 23 1 1 A 139 139 ALA CB C 139 20.700 19.154 1.546 1 1 1451 . 23 1 1 A 139 139 ALA N N 139 123.250 125.427 -2.177 1 1 1452 . 23 1 1 A 140 140 GLY H H 140 7.968 8.392 -0.424 1 1 1453 . 23 1 1 A 140 140 GLY HA2 H 140 4.202 3.922 0.280 1 1 1454 . 23 1 1 A 140 140 GLY HA3 H 140 3.595 3.972 -0.377 1 1 1455 . 23 1 1 A 140 140 GLY C C 140 171.240 173.424 -2.184 1 1 1456 . 23 1 1 A 140 140 GLY CA C 140 44.710 45.182 -0.472 1 1 1457 . 23 1 1 A 140 140 GLY N N 140 108.040 107.844 0.196 1 1 1458 . 23 1 1 A 141 141 PRO HA H 141 4.460 4.638 -0.178 1 1 1463 . 23 1 1 A 141 141 PRO C C 141 176.150 175.759 0.391 1 1 1464 . 23 1 1 A 141 141 PRO CA C 141 63.230 62.954 0.276 1 1 1465 . 23 1 1 A 141 141 PRO CB C 141 32.370 32.586 -0.216 1 1 1466 . 23 1 1 A 142 142 ALA H H 142 8.496 8.455 0.041 1 1 1467 . 23 1 1 A 142 142 ALA HA H 142 4.363 4.630 -0.267 1 1 1471 . 23 1 1 A 142 142 ALA C C 142 177.320 176.985 0.335 1 1 1472 . 23 1 1 A 142 142 ALA CA C 142 52.740 50.510 2.230 1 1 1473 . 23 1 1 A 142 142 ALA CB C 142 19.780 19.414 0.366 1 1 1474 . 23 1 1 A 142 142 ALA N N 142 124.080 124.860 -0.780 1 1 4 . 24 1 1 A 2 2 SER H H 2 8.404 8.806 -0.402 1 1 5 . 24 1 1 A 2 2 SER HA H 2 4.430 4.701 -0.271 1 1 8 . 24 1 1 A 2 2 SER C C 2 174.220 173.285 0.935 1 1 9 . 24 1 1 A 2 2 SER CA C 2 58.650 58.697 -0.047 1 1 10 . 24 1 1 A 2 2 SER CB C 2 64.280 63.898 0.382 1 1 11 . 24 1 1 A 2 2 SER N N 2 116.880 121.829 -4.949 1 1 12 . 24 1 1 A 3 3 ASP H H 3 8.314 8.625 -0.311 1 1 13 . 24 1 1 A 3 3 ASP HA H 3 4.594 4.872 -0.278 1 1 16 . 24 1 1 A 3 3 ASP C C 3 176.070 175.091 0.979 1 1 17 . 24 1 1 A 3 3 ASP CA C 3 54.580 53.840 0.740 1 1 18 . 24 1 1 A 3 3 ASP CB C 3 41.530 40.591 0.939 1 1 19 . 24 1 1 A 3 3 ASP N N 3 122.210 125.090 -2.880 1 1 20 . 24 1 1 A 4 4 ASN H H 4 8.326 8.952 -0.626 1 1 21 . 24 1 1 A 4 4 ASN HA H 4 4.748 5.593 -0.845 1 1 24 . 24 1 1 A 4 4 ASN C C 4 175.130 173.497 1.633 1 1 25 . 24 1 1 A 4 4 ASN CA C 4 53.430 51.887 1.543 1 1 26 . 24 1 1 A 4 4 ASN CB C 4 38.920 42.456 -3.536 1 1 27 . 24 1 1 A 4 4 ASN N N 4 118.670 123.581 -4.911 1 1 28 . 24 1 1 A 5 5 ASN H H 5 8.467 8.838 -0.371 1 1 29 . 24 1 1 A 5 5 ASN HA H 5 4.702 5.153 -0.451 1 1 32 . 24 1 1 A 5 5 ASN C C 5 175.700 176.020 -0.320 1 1 33 . 24 1 1 A 5 5 ASN CA C 5 53.610 51.667 1.943 1 1 34 . 24 1 1 A 5 5 ASN CB C 5 39.090 41.365 -2.275 1 1 35 . 24 1 1 A 5 5 ASN N N 5 119.070 121.288 -2.218 1 1 36 . 24 1 1 A 6 6 GLY H H 6 8.333 8.672 -0.339 1 1 37 . 24 1 1 A 6 6 GLY HA2 H 6 3.960 3.840 0.120 1 1 38 . 24 1 1 A 6 6 GLY HA3 H 6 3.960 3.841 0.119 1 1 39 . 24 1 1 A 6 6 GLY C C 6 174.050 174.413 -0.363 1 1 40 . 24 1 1 A 6 6 GLY CA C 6 45.390 47.277 -1.887 1 1 41 . 24 1 1 A 6 6 GLY N N 6 109.000 107.615 1.385 1 1 42 . 24 1 1 A 7 7 THR H H 7 8.076 8.027 0.049 1 1 43 . 24 1 1 A 7 7 THR HA H 7 4.591 4.687 -0.096 1 1 48 . 24 1 1 A 7 7 THR C C 7 172.840 172.809 0.031 1 1 49 . 24 1 1 A 7 7 THR CA C 7 60.050 58.911 1.139 1 1 50 . 24 1 1 A 7 7 THR N N 7 116.910 112.076 4.834 1 1 51 . 24 1 1 A 8 8 PRO HA H 8 4.414 4.610 -0.196 1 1 54 . 24 1 1 A 8 8 PRO C C 8 176.690 176.065 0.625 1 1 55 . 24 1 1 A 8 8 PRO CA C 8 63.090 62.853 0.237 1 1 56 . 24 1 1 A 8 8 PRO CB C 8 32.290 32.265 0.025 1 1 57 . 24 1 1 A 9 9 GLU H H 9 8.467 8.531 -0.064 1 1 58 . 24 1 1 A 9 9 GLU HA H 9 4.527 4.894 -0.367 1 1 63 . 24 1 1 A 9 9 GLU C C 9 174.680 174.158 0.522 1 1 64 . 24 1 1 A 9 9 GLU CA C 9 54.550 52.758 1.792 1 1 65 . 24 1 1 A 9 9 GLU N N 9 122.910 121.004 1.906 1 1 66 . 24 1 1 A 10 10 PRO HA H 10 4.371 4.449 -0.078 1 1 71 . 24 1 1 A 10 10 PRO C C 10 176.820 176.552 0.268 1 1 72 . 24 1 1 A 10 10 PRO CA C 10 63.300 63.187 0.113 1 1 73 . 24 1 1 A 10 10 PRO CB C 10 32.290 31.856 0.434 1 1 74 . 24 1 1 A 11 11 GLN H H 11 8.543 8.325 0.218 1 1 75 . 24 1 1 A 11 11 GLN HA H 11 4.334 4.627 -0.293 1 1 82 . 24 1 1 A 11 11 GLN C C 11 176.010 175.092 0.918 1 1 83 . 24 1 1 A 11 11 GLN CA C 11 55.710 55.185 0.525 1 1 84 . 24 1 1 A 11 11 GLN CB C 11 29.520 29.680 -0.160 1 1 85 . 24 1 1 A 11 11 GLN N N 11 121.100 118.270 2.830 1 1 87 . 24 1 1 A 12 12 VAL H H 12 8.201 8.754 -0.553 1 1 88 . 24 1 1 A 12 12 VAL HA H 12 4.144 4.689 -0.545 1 1 96 . 24 1 1 A 12 12 VAL C C 12 175.940 174.641 1.299 1 1 97 . 24 1 1 A 12 12 VAL CA C 12 62.110 61.766 0.344 1 1 98 . 24 1 1 A 12 12 VAL CB C 12 32.800 32.919 -0.119 1 1 99 . 24 1 1 A 12 12 VAL N N 12 122.070 125.101 -3.031 1 1 100 . 24 1 1 A 13 13 GLU H H 13 8.593 8.913 -0.320 1 1 101 . 24 1 1 A 13 13 GLU HA H 13 4.329 4.988 -0.659 1 1 106 . 24 1 1 A 13 13 GLU C C 13 176.720 176.031 0.689 1 1 107 . 24 1 1 A 13 13 GLU CA C 13 56.830 54.421 2.409 1 1 108 . 24 1 1 A 13 13 GLU CB C 13 30.860 33.009 -2.149 1 1 109 . 24 1 1 A 13 13 GLU N N 13 124.660 128.535 -3.875 1 1 138 . 24 1 1 A 17 17 VAL H H 17 8.458 8.589 -0.131 1 1 139 . 24 1 1 A 17 17 VAL HA H 17 4.183 4.800 -0.617 1 1 147 . 24 1 1 A 17 17 VAL C C 17 175.950 175.606 0.344 1 1 148 . 24 1 1 A 17 17 VAL CA C 17 63.780 62.807 0.973 1 1 149 . 24 1 1 A 17 17 VAL CB C 17 32.460 31.151 1.309 1 1 150 . 24 1 1 A 17 17 VAL N N 17 124.860 124.367 0.493 1 1 151 . 24 1 1 A 18 18 PHE H H 18 8.579 8.887 -0.308 1 1 152 . 24 1 1 A 18 18 PHE HA H 18 4.650 5.728 -1.078 1 1 160 . 24 1 1 A 18 18 PHE C C 18 173.450 174.792 -1.342 1 1 161 . 24 1 1 A 18 18 PHE CA C 18 57.480 55.389 2.091 1 1 162 . 24 1 1 A 18 18 PHE CB C 18 41.950 41.935 0.015 1 1 163 . 24 1 1 A 18 18 PHE N N 18 127.160 124.081 3.079 1 1 164 . 24 1 1 A 19 19 ARG H H 19 7.920 9.059 -1.139 1 1 165 . 24 1 1 A 19 19 ARG HA H 19 4.196 5.057 -0.861 1 1 170 . 24 1 1 A 19 19 ARG C C 19 174.930 175.713 -0.783 1 1 171 . 24 1 1 A 19 19 ARG CA C 19 54.800 54.499 0.301 1 1 172 . 24 1 1 A 19 19 ARG CB C 19 30.610 31.502 -0.892 1 1 173 . 24 1 1 A 19 19 ARG N N 19 127.500 122.235 5.265 1 1 174 . 24 1 1 A 20 20 ALA H H 20 8.067 8.441 -0.374 1 1 175 . 24 1 1 A 20 20 ALA HA H 20 3.729 4.615 -0.886 1 1 179 . 24 1 1 A 20 20 ALA C C 20 177.630 176.884 0.746 1 1 180 . 24 1 1 A 20 20 ALA CA C 20 53.280 51.527 1.753 1 1 181 . 24 1 1 A 20 20 ALA CB C 20 18.860 19.592 -0.732 1 1 182 . 24 1 1 A 20 20 ALA N N 20 126.460 127.144 -0.684 1 1 183 . 24 1 1 A 21 21 ASP H H 21 8.355 8.047 0.308 1 1 184 . 24 1 1 A 21 21 ASP HA H 21 4.350 4.772 -0.422 1 1 187 . 24 1 1 A 21 21 ASP C C 21 176.720 177.524 -0.804 1 1 188 . 24 1 1 A 21 21 ASP CA C 21 54.480 53.133 1.347 1 1 189 . 24 1 1 A 21 21 ASP CB C 21 40.350 40.911 -0.561 1 1 190 . 24 1 1 A 21 21 ASP N N 21 117.850 118.545 -0.695 1 1 191 . 24 1 1 A 22 22 LEU H H 22 7.705 7.851 -0.146 1 1 192 . 24 1 1 A 22 22 LEU HA H 22 4.088 3.916 0.172 1 1 202 . 24 1 1 A 22 22 LEU C C 22 177.760 179.439 -1.679 1 1 203 . 24 1 1 A 22 22 LEU CA C 22 55.780 58.069 -2.289 1 1 204 . 24 1 1 A 22 22 LEU CB C 22 41.860 41.309 0.551 1 1 205 . 24 1 1 A 22 22 LEU N N 22 121.600 120.943 0.657 1 1 206 . 24 1 1 A 23 23 LEU H H 23 7.717 8.030 -0.313 1 1 207 . 24 1 1 A 23 23 LEU HA H 23 4.166 4.033 0.133 1 1 217 . 24 1 1 A 23 23 LEU C C 23 177.840 178.578 -0.738 1 1 218 . 24 1 1 A 23 23 LEU CA C 23 55.960 58.181 -2.221 1 1 219 . 24 1 1 A 23 23 LEU CB C 23 41.950 41.653 0.297 1 1 220 . 24 1 1 A 23 23 LEU N N 23 120.360 120.122 0.238 1 1 221 . 24 1 1 A 24 24 LYS H H 24 7.933 8.015 -0.082 1 1 222 . 24 1 1 A 24 24 LYS HA H 24 4.174 4.104 0.070 1 1 229 . 24 1 1 A 24 24 LYS C C 24 177.190 179.204 -2.014 1 1 230 . 24 1 1 A 24 24 LYS CA C 24 57.050 58.652 -1.602 1 1 231 . 24 1 1 A 24 24 LYS CB C 24 32.880 32.608 0.272 1 1 232 . 24 1 1 A 24 24 LYS N N 24 121.120 119.343 1.777 1 1 233 . 24 1 1 A 25 25 GLU H H 25 8.160 8.661 -0.501 1 1 234 . 24 1 1 A 25 25 GLU HA H 25 4.199 3.982 0.217 1 1 239 . 24 1 1 A 25 25 GLU C C 25 176.900 178.608 -1.708 1 1 240 . 24 1 1 A 25 25 GLU CA C 25 57.010 59.394 -2.384 1 1 241 . 24 1 1 A 25 25 GLU CB C 25 30.280 28.936 1.344 1 1 242 . 24 1 1 A 25 25 GLU N N 25 121.550 120.017 1.533 1 1 243 . 24 1 1 A 26 26 MET H H 26 8.270 8.121 0.149 1 1 244 . 24 1 1 A 26 26 MET HA H 26 4.360 4.243 0.117 1 1 252 . 24 1 1 A 26 26 MET C C 26 176.440 178.327 -1.887 1 1 253 . 24 1 1 A 26 26 MET CA C 26 56.180 59.559 -3.379 1 1 254 . 24 1 1 A 26 26 MET CB C 26 33.050 32.508 0.542 1 1 255 . 24 1 1 A 26 26 MET N N 26 120.730 119.172 1.558 1 1 256 . 24 1 1 A 27 27 GLU H H 27 8.297 7.791 0.506 1 1 257 . 24 1 1 A 27 27 GLU HA H 27 4.264 4.062 0.202 1 1 262 . 24 1 1 A 27 27 GLU C C 27 176.650 178.954 -2.304 1 1 263 . 24 1 1 A 27 27 GLU CA C 27 56.830 59.508 -2.678 1 1 264 . 24 1 1 A 27 27 GLU CB C 27 30.530 29.454 1.076 1 1 265 . 24 1 1 A 27 27 GLU N N 27 121.650 120.847 0.803 1 1 266 . 24 1 1 A 28 28 SER H H 28 8.279 8.560 -0.281 1 1 267 . 24 1 1 A 28 28 SER HA H 28 4.473 4.264 0.209 1 1 270 . 24 1 1 A 28 28 SER C C 28 174.760 175.918 -1.158 1 1 271 . 24 1 1 A 28 28 SER CA C 28 58.460 60.703 -2.243 1 1 272 . 24 1 1 A 28 28 SER CB C 28 64.190 63.192 0.998 1 1 273 . 24 1 1 A 28 28 SER N N 28 116.610 117.227 -0.617 1 1 274 . 24 1 1 A 29 29 SER H H 29 8.443 7.624 0.819 1 1 275 . 24 1 1 A 29 29 SER HA H 29 4.541 4.391 0.150 1 1 278 . 24 1 1 A 29 29 SER C C 29 174.950 175.247 -0.297 1 1 279 . 24 1 1 A 29 29 SER CA C 29 58.530 61.416 -2.886 1 1 280 . 24 1 1 A 29 29 SER CB C 29 64.190 63.340 0.850 1 1 281 . 24 1 1 A 29 29 SER N N 29 118.290 114.462 3.828 1 1 282 . 24 1 1 A 30 30 THR H H 30 8.220 7.299 0.921 1 1 283 . 24 1 1 A 30 30 THR HA H 30 4.372 4.147 0.225 1 1 288 . 24 1 1 A 30 30 THR C C 30 175.280 175.006 0.274 1 1 289 . 24 1 1 A 30 30 THR CA C 30 62.260 63.743 -1.483 1 1 290 . 24 1 1 A 30 30 THR CB C 30 69.900 69.375 0.525 1 1 291 . 24 1 1 A 30 30 THR N N 30 115.600 116.569 -0.969 1 1 292 . 24 1 1 A 31 31 GLY H H 31 8.401 8.637 -0.236 1 1 293 . 24 1 1 A 31 31 GLY HA2 H 31 4.005 3.982 0.023 1 1 294 . 24 1 1 A 31 31 GLY HA3 H 31 4.005 3.983 0.022 1 1 295 . 24 1 1 A 31 31 GLY C C 31 174.160 172.313 1.847 1 1 296 . 24 1 1 A 31 31 GLY CA C 31 45.470 45.848 -0.378 1 1 297 . 24 1 1 A 31 31 GLY N N 31 111.270 113.373 -2.103 1 1 298 . 24 1 1 A 32 32 THR H H 32 8.034 8.779 -0.745 1 1 299 . 24 1 1 A 32 32 THR HA H 32 4.319 5.040 -0.721 1 1 304 . 24 1 1 A 32 32 THR C C 32 174.130 173.084 1.046 1 1 305 . 24 1 1 A 32 32 THR CA C 32 61.710 59.297 2.413 1 1 306 . 24 1 1 A 32 32 THR CB C 32 70.150 71.550 -1.400 1 1 307 . 24 1 1 A 32 32 THR N N 32 113.770 119.316 -5.546 1 1 308 . 24 1 1 A 33 33 ALA H H 33 8.410 8.556 -0.146 1 1 309 . 24 1 1 A 33 33 ALA HA H 33 4.581 4.311 0.270 1 1 313 . 24 1 1 A 33 33 ALA C C 33 175.490 175.996 -0.506 1 1 314 . 24 1 1 A 33 33 ALA CA C 33 50.680 50.706 -0.026 1 1 315 . 24 1 1 A 33 33 ALA N N 33 128.320 128.636 -0.316 1 1 316 . 24 1 1 A 34 34 PRO HA H 34 4.389 4.565 -0.176 1 1 321 . 24 1 1 A 34 34 PRO C C 34 176.650 176.311 0.339 1 1 322 . 24 1 1 A 34 34 PRO CA C 34 63.090 62.535 0.555 1 1 323 . 24 1 1 A 34 34 PRO CB C 34 32.210 32.111 0.099 1 1 324 . 24 1 1 A 35 35 ALA H H 35 8.433 8.358 0.075 1 1 325 . 24 1 1 A 35 35 ALA HA H 35 4.275 4.944 -0.669 1 1 329 . 24 1 1 A 35 35 ALA C C 35 177.730 176.721 1.009 1 1 330 . 24 1 1 A 35 35 ALA CA C 35 52.590 50.546 2.044 1 1 331 . 24 1 1 A 35 35 ALA CB C 35 19.450 22.265 -2.815 1 1 332 . 24 1 1 A 35 35 ALA N N 35 124.330 122.903 1.427 1 1 333 . 24 1 1 A 36 36 SER H H 36 8.259 8.742 -0.483 1 1 334 . 24 1 1 A 36 36 SER HA H 36 4.474 5.324 -0.850 1 1 337 . 24 1 1 A 36 36 SER C C 36 174.860 172.682 2.178 1 1 338 . 24 1 1 A 36 36 SER CA C 36 58.130 56.457 1.673 1 1 339 . 24 1 1 A 36 36 SER CB C 36 64.190 64.539 -0.349 1 1 340 . 24 1 1 A 36 36 SER N N 36 114.560 113.480 1.080 1 1 341 . 24 1 1 A 37 37 THR H H 37 8.325 8.694 -0.369 1 1 342 . 24 1 1 A 37 37 THR HA H 37 4.281 4.472 -0.191 1 1 346 . 24 1 1 A 37 37 THR C C 37 175.110 174.267 0.843 1 1 347 . 24 1 1 A 37 37 THR CA C 37 62.260 62.398 -0.138 1 1 348 . 24 1 1 A 37 37 THR CB C 37 70.150 71.945 -1.795 1 1 349 . 24 1 1 A 37 37 THR N N 37 115.300 116.873 -1.573 1 1 350 . 24 1 1 A 38 38 GLY H H 38 8.511 7.517 0.994 1 1 351 . 24 1 1 A 38 38 GLY HA2 H 38 3.975 4.152 -0.177 1 1 352 . 24 1 1 A 38 38 GLY HA3 H 38 3.809 4.164 -0.355 1 1 353 . 24 1 1 A 38 38 GLY C C 38 174.470 175.386 -0.916 1 1 354 . 24 1 1 A 38 38 GLY CA C 38 45.470 45.479 -0.009 1 1 355 . 24 1 1 A 38 38 GLY N N 38 110.440 109.197 1.243 1 1 356 . 24 1 1 A 39 39 ALA H H 39 8.245 8.313 -0.068 1 1 357 . 24 1 1 A 39 39 ALA HA H 39 4.164 4.195 -0.031 1 1 361 . 24 1 1 A 39 39 ALA C C 39 177.590 179.221 -1.631 1 1 362 . 24 1 1 A 39 39 ALA CA C 39 52.560 54.929 -2.369 1 1 363 . 24 1 1 A 39 39 ALA CB C 39 19.360 18.966 0.394 1 1 364 . 24 1 1 A 39 39 ALA N N 39 124.080 121.683 2.397 1 1 365 . 24 1 1 A 40 40 GLU H H 40 8.721 8.086 0.635 1 1 366 . 24 1 1 A 40 40 GLU HA H 40 4.083 4.365 -0.282 1 1 371 . 24 1 1 A 40 40 GLU C C 40 176.320 177.758 -1.438 1 1 372 . 24 1 1 A 40 40 GLU CA C 40 57.910 58.059 -0.149 1 1 373 . 24 1 1 A 40 40 GLU CB C 40 29.520 29.275 0.245 1 1 374 . 24 1 1 A 40 40 GLU N N 40 118.270 117.613 0.657 1 1 375 . 24 1 1 A 41 41 ASN H H 41 8.226 7.875 0.351 1 1 376 . 24 1 1 A 41 41 ASN HA H 41 4.716 4.801 -0.085 1 1 381 . 24 1 1 A 41 41 ASN C C 41 174.800 175.065 -0.265 1 1 382 . 24 1 1 A 41 41 ASN CA C 41 52.880 55.018 -2.138 1 1 383 . 24 1 1 A 41 41 ASN CB C 41 38.840 39.224 -0.384 1 1 384 . 24 1 1 A 41 41 ASN N N 41 117.620 117.465 0.155 1 1 386 . 24 1 1 A 42 42 LEU H H 42 7.629 7.718 -0.089 1 1 387 . 24 1 1 A 42 42 LEU HA H 42 4.418 4.081 0.337 1 1 397 . 24 1 1 A 42 42 LEU C C 42 174.610 176.972 -2.362 1 1 398 . 24 1 1 A 42 42 LEU CA C 42 53.170 55.461 -2.291 1 1 399 . 24 1 1 A 42 42 LEU N N 42 123.010 118.761 4.249 1 1 400 . 24 1 1 A 43 43 PRO HA H 43 4.366 4.303 0.063 1 1 407 . 24 1 1 A 43 43 PRO C C 43 177.050 177.334 -0.284 1 1 408 . 24 1 1 A 43 43 PRO CA C 43 62.260 66.265 -4.005 1 1 409 . 24 1 1 A 43 43 PRO CB C 43 32.380 31.273 1.107 1 1 410 . 24 1 1 A 44 44 ALA H H 44 8.552 7.846 0.706 1 1 411 . 24 1 1 A 44 44 ALA HA H 44 4.223 4.512 -0.289 1 1 415 . 24 1 1 A 44 44 ALA C C 44 179.500 178.337 1.163 1 1 416 . 24 1 1 A 44 44 ALA CA C 44 53.250 51.487 1.763 1 1 417 . 24 1 1 A 44 44 ALA CB C 44 18.190 20.081 -1.891 1 1 418 . 24 1 1 A 44 44 ALA N N 44 125.070 117.679 7.391 1 1 419 . 24 1 1 A 45 45 GLY H H 45 8.897 8.772 0.125 1 1 420 . 24 1 1 A 45 45 GLY HA2 H 45 4.214 3.952 0.262 1 1 421 . 24 1 1 A 45 45 GLY HA3 H 45 3.833 3.979 -0.146 1 1 422 . 24 1 1 A 45 45 GLY C C 45 173.720 173.669 0.051 1 1 423 . 24 1 1 A 45 45 GLY CA C 45 45.790 45.392 0.398 1 1 424 . 24 1 1 A 45 45 GLY N N 45 110.600 109.793 0.807 1 1 425 . 24 1 1 A 46 46 SER H H 46 7.690 7.930 -0.240 1 1 426 . 24 1 1 A 46 46 SER HA H 46 5.338 5.056 0.282 1 1 429 . 24 1 1 A 46 46 SER C C 46 172.990 173.180 -0.190 1 1 430 . 24 1 1 A 46 46 SER CA C 46 57.810 57.656 0.154 1 1 431 . 24 1 1 A 46 46 SER CB C 46 66.960 65.905 1.055 1 1 432 . 24 1 1 A 46 46 SER N N 46 114.180 117.685 -3.505 1 1 433 . 24 1 1 A 47 47 ALA H H 47 8.435 8.429 0.006 1 1 434 . 24 1 1 A 47 47 ALA HA H 47 4.338 4.943 -0.605 1 1 438 . 24 1 1 A 47 47 ALA C C 47 173.840 175.719 -1.879 1 1 439 . 24 1 1 A 47 47 ALA CA C 47 51.690 51.051 0.639 1 1 440 . 24 1 1 A 47 47 ALA CB C 47 24.570 23.485 1.085 1 1 441 . 24 1 1 A 47 47 ALA N N 47 120.900 123.709 -2.809 1 1 442 . 24 1 1 A 48 48 LEU H H 48 8.673 8.088 0.585 1 1 443 . 24 1 1 A 48 48 LEU HA H 48 5.021 5.205 -0.184 1 1 453 . 24 1 1 A 48 48 LEU C C 48 174.680 174.810 -0.130 1 1 454 . 24 1 1 A 48 48 LEU CA C 48 53.350 52.984 0.366 1 1 455 . 24 1 1 A 48 48 LEU CB C 48 48.150 46.206 1.944 1 1 456 . 24 1 1 A 48 48 LEU N N 48 120.170 116.229 3.941 1 1 457 . 24 1 1 A 49 49 LEU H H 49 8.686 9.114 -0.428 1 1 458 . 24 1 1 A 49 49 LEU HA H 49 5.403 5.404 -0.001 1 1 468 . 24 1 1 A 49 49 LEU C C 49 176.170 175.448 0.722 1 1 469 . 24 1 1 A 49 49 LEU CA C 49 52.810 52.856 -0.046 1 1 470 . 24 1 1 A 49 49 LEU CB C 49 46.310 46.312 -0.002 1 1 471 . 24 1 1 A 49 49 LEU N N 49 120.170 116.136 4.034 1 1 472 . 24 1 1 A 50 50 VAL H H 50 8.874 9.184 -0.310 1 1 473 . 24 1 1 A 50 50 VAL HA H 50 4.971 4.994 -0.023 1 1 481 . 24 1 1 A 50 50 VAL C C 50 176.740 175.031 1.709 1 1 482 . 24 1 1 A 50 50 VAL CA C 50 59.940 60.069 -0.129 1 1 483 . 24 1 1 A 50 50 VAL CB C 50 34.970 34.998 -0.028 1 1 484 . 24 1 1 A 50 50 VAL N N 50 120.580 120.086 0.494 1 1 485 . 24 1 1 A 51 51 VAL H H 51 8.984 9.170 -0.186 1 1 486 . 24 1 1 A 51 51 VAL HA H 51 4.155 4.201 -0.046 1 1 494 . 24 1 1 A 51 51 VAL C C 51 176.050 175.726 0.324 1 1 495 . 24 1 1 A 51 51 VAL CA C 51 64.280 63.258 1.022 1 1 496 . 24 1 1 A 51 51 VAL CB C 51 31.280 31.314 -0.034 1 1 497 . 24 1 1 A 51 51 VAL N N 51 125.710 126.858 -1.148 1 1 498 . 24 1 1 A 52 52 LYS H H 52 9.444 9.029 0.415 1 1 499 . 24 1 1 A 52 52 LYS HA H 52 4.450 4.397 0.053 1 1 506 . 24 1 1 A 52 52 LYS C C 52 176.150 176.795 -0.645 1 1 507 . 24 1 1 A 52 52 LYS CA C 52 57.050 57.551 -0.501 1 1 508 . 24 1 1 A 52 52 LYS CB C 52 34.470 33.343 1.127 1 1 509 . 24 1 1 A 52 52 LYS N N 52 132.750 127.357 5.393 1 1 510 . 24 1 1 A 53 53 ARG H H 53 8.051 7.358 0.693 1 1 511 . 24 1 1 A 53 53 ARG HA H 53 4.685 4.884 -0.199 1 1 516 . 24 1 1 A 53 53 ARG C C 53 173.470 174.701 -1.231 1 1 517 . 24 1 1 A 53 53 ARG CA C 53 55.090 55.355 -0.265 1 1 518 . 24 1 1 A 53 53 ARG CB C 53 34.300 34.126 0.174 1 1 519 . 24 1 1 A 53 53 ARG N N 53 117.320 118.619 -1.299 1 1 520 . 24 1 1 A 54 54 GLY H H 54 8.377 8.349 0.028 1 1 521 . 24 1 1 A 54 54 GLY HA2 H 54 4.215 3.985 0.230 1 1 522 . 24 1 1 A 54 54 GLY HA3 H 54 3.503 4.107 -0.604 1 1 523 . 24 1 1 A 54 54 GLY C C 54 171.870 174.116 -2.246 1 1 524 . 24 1 1 A 54 54 GLY CA C 54 43.770 44.489 -0.719 1 1 525 . 24 1 1 A 54 54 GLY N N 54 110.960 112.535 -1.575 1 1 526 . 24 1 1 A 55 55 PRO HA H 55 4.255 4.366 -0.111 1 1 531 . 24 1 1 A 55 55 PRO C C 55 175.940 177.525 -1.585 1 1 532 . 24 1 1 A 55 55 PRO CA C 55 64.390 64.928 -0.538 1 1 533 . 24 1 1 A 55 55 PRO CB C 55 31.360 31.844 -0.484 1 1 534 . 24 1 1 A 56 56 ASN H H 56 8.202 8.350 -0.148 1 1 535 . 24 1 1 A 56 56 ASN HA H 56 4.685 5.011 -0.326 1 1 540 . 24 1 1 A 56 56 ASN C C 56 174.410 174.586 -0.176 1 1 541 . 24 1 1 A 56 56 ASN CA C 56 52.120 52.696 -0.576 1 1 542 . 24 1 1 A 56 56 ASN CB C 56 37.070 38.904 -1.834 1 1 543 . 24 1 1 A 56 56 ASN N N 56 114.760 115.025 -0.265 1 1 545 . 24 1 1 A 57 57 ALA H H 57 7.283 7.571 -0.288 1 1 546 . 24 1 1 A 57 57 ALA HA H 57 3.618 4.159 -0.541 1 1 550 . 24 1 1 A 57 57 ALA C C 57 178.090 178.434 -0.344 1 1 551 . 24 1 1 A 57 57 ALA CA C 57 54.480 53.775 0.705 1 1 552 . 24 1 1 A 57 57 ALA CB C 57 17.760 18.752 -0.992 1 1 553 . 24 1 1 A 57 57 ALA N N 57 120.380 122.229 -1.849 1 1 554 . 24 1 1 A 58 58 GLY H H 58 9.052 9.316 -0.264 1 1 555 . 24 1 1 A 58 58 GLY HA2 H 58 4.449 4.014 0.435 1 1 556 . 24 1 1 A 58 58 GLY HA3 H 58 3.415 4.018 -0.603 1 1 557 . 24 1 1 A 58 58 GLY C C 58 174.610 174.359 0.251 1 1 558 . 24 1 1 A 58 58 GLY CA C 58 44.530 44.984 -0.454 1 1 559 . 24 1 1 A 58 58 GLY N N 58 112.180 110.317 1.863 1 1 560 . 24 1 1 A 59 59 ALA H H 59 8.171 7.607 0.564 1 1 561 . 24 1 1 A 59 59 ALA HA H 59 4.081 4.275 -0.194 1 1 565 . 24 1 1 A 59 59 ALA C C 59 175.220 176.414 -1.194 1 1 566 . 24 1 1 A 59 59 ALA CA C 59 53.170 51.906 1.264 1 1 567 . 24 1 1 A 59 59 ALA CB C 59 19.360 19.758 -0.398 1 1 568 . 24 1 1 A 59 59 ALA N N 59 124.650 123.641 1.009 1 1 569 . 24 1 1 A 60 60 ARG H H 60 7.751 8.453 -0.702 1 1 570 . 24 1 1 A 60 60 ARG HA H 60 5.105 5.073 0.032 1 1 575 . 24 1 1 A 60 60 ARG C C 60 175.320 174.913 0.407 1 1 576 . 24 1 1 A 60 60 ARG CA C 60 54.150 54.706 -0.556 1 1 577 . 24 1 1 A 60 60 ARG CB C 60 34.130 33.222 0.908 1 1 578 . 24 1 1 A 60 60 ARG N N 60 116.920 122.358 -5.438 1 1 579 . 24 1 1 A 61 61 PHE H H 61 9.213 9.443 -0.230 1 1 580 . 24 1 1 A 61 61 PHE HA H 61 4.788 5.080 -0.292 1 1 587 . 24 1 1 A 61 61 PHE C C 61 173.930 174.650 -0.720 1 1 588 . 24 1 1 A 61 61 PHE CA C 61 56.500 56.761 -0.261 1 1 589 . 24 1 1 A 61 61 PHE CB C 61 41.860 43.427 -1.567 1 1 590 . 24 1 1 A 61 61 PHE N N 61 121.090 122.067 -0.977 1 1 591 . 24 1 1 A 62 62 LEU H H 62 8.638 9.170 -0.532 1 1 592 . 24 1 1 A 62 62 LEU HA H 62 4.566 5.109 -0.543 1 1 602 . 24 1 1 A 62 62 LEU C C 62 176.570 175.569 1.001 1 1 603 . 24 1 1 A 62 62 LEU CA C 62 55.130 52.914 2.216 1 1 604 . 24 1 1 A 62 62 LEU CB C 62 43.620 44.863 -1.243 1 1 605 . 24 1 1 A 62 62 LEU N N 62 125.630 119.182 6.448 1 1 606 . 24 1 1 A 63 63 LEU H H 63 8.929 9.371 -0.442 1 1 607 . 24 1 1 A 63 63 LEU HA H 63 4.852 4.662 0.190 1 1 617 . 24 1 1 A 63 63 LEU C C 63 175.070 176.205 -1.135 1 1 618 . 24 1 1 A 63 63 LEU CA C 63 53.170 54.717 -1.547 1 1 619 . 24 1 1 A 63 63 LEU CB C 63 42.110 41.232 0.878 1 1 620 . 24 1 1 A 63 63 LEU N N 63 125.980 123.945 2.035 1 1 621 . 24 1 1 A 64 64 ASP H H 64 8.601 9.083 -0.482 1 1 622 . 24 1 1 A 64 64 ASP HA H 64 4.736 4.955 -0.219 1 1 625 . 24 1 1 A 64 64 ASP C C 64 175.130 175.486 -0.356 1 1 626 . 24 1 1 A 64 64 ASP CA C 64 53.640 53.207 0.433 1 1 627 . 24 1 1 A 64 64 ASP CB C 64 41.020 41.838 -0.818 1 1 628 . 24 1 1 A 64 64 ASP N N 64 120.910 126.624 -5.714 1 1 629 . 24 1 1 A 65 65 GLN H H 65 7.497 7.539 -0.042 1 1 630 . 24 1 1 A 65 65 GLN HA H 65 4.856 4.888 -0.032 1 1 637 . 24 1 1 A 65 65 GLN C C 65 173.550 175.235 -1.685 1 1 638 . 24 1 1 A 65 65 GLN CA C 65 52.780 53.531 -0.751 1 1 639 . 24 1 1 A 65 65 GLN N N 65 117.420 116.074 1.346 1 1 641 . 24 1 1 A 66 66 PRO HA H 66 4.190 4.419 -0.229 1 1 648 . 24 1 1 A 66 66 PRO C C 66 177.400 176.643 0.757 1 1 649 . 24 1 1 A 66 66 PRO CA C 66 66.810 64.497 2.313 1 1 650 . 24 1 1 A 66 66 PRO CB C 66 32.370 32.189 0.181 1 1 651 . 24 1 1 A 67 67 THR H H 67 7.647 7.523 0.124 1 1 652 . 24 1 1 A 67 67 THR HA H 67 4.811 5.105 -0.294 1 1 657 . 24 1 1 A 67 67 THR C C 67 173.280 173.337 -0.057 1 1 658 . 24 1 1 A 67 67 THR CA C 67 62.830 61.209 1.621 1 1 659 . 24 1 1 A 67 67 THR CB C 67 71.740 71.409 0.331 1 1 660 . 24 1 1 A 67 67 THR N N 67 109.270 112.784 -3.514 1 1 661 . 24 1 1 A 68 68 THR H H 68 8.919 9.602 -0.683 1 1 662 . 24 1 1 A 68 68 THR HA H 68 4.968 5.106 -0.138 1 1 667 . 24 1 1 A 68 68 THR C C 68 175.090 174.467 0.623 1 1 668 . 24 1 1 A 68 68 THR CA C 68 61.820 61.780 0.040 1 1 669 . 24 1 1 A 68 68 THR CB C 68 70.730 71.377 -0.647 1 1 670 . 24 1 1 A 68 68 THR N N 68 125.610 122.905 2.705 1 1 671 . 24 1 1 A 69 69 THR H H 69 10.398 8.887 1.511 1 1 672 . 24 1 1 A 69 69 THR HA H 69 4.491 4.957 -0.466 1 1 677 . 24 1 1 A 69 69 THR C C 69 173.140 174.101 -0.961 1 1 678 . 24 1 1 A 69 69 THR CA C 69 61.790 60.569 1.221 1 1 679 . 24 1 1 A 69 69 THR CB C 69 70.820 70.527 0.293 1 1 680 . 24 1 1 A 69 69 THR N N 69 121.520 119.209 2.311 1 1 681 . 24 1 1 A 70 70 ALA H H 70 8.722 8.865 -0.143 1 1 682 . 24 1 1 A 70 70 ALA HA H 70 5.696 5.310 0.386 1 1 686 . 24 1 1 A 70 70 ALA C C 70 175.840 175.719 0.121 1 1 687 . 24 1 1 A 70 70 ALA CA C 70 50.030 50.549 -0.519 1 1 688 . 24 1 1 A 70 70 ALA CB C 70 22.300 22.978 -0.678 1 1 689 . 24 1 1 A 70 70 ALA N N 70 122.410 123.886 -1.476 1 1 690 . 24 1 1 A 71 71 GLY H H 71 8.430 8.164 0.266 1 1 691 . 24 1 1 A 71 71 GLY HA2 H 71 4.474 4.081 0.393 1 1 692 . 24 1 1 A 71 71 GLY HA3 H 71 3.903 4.162 -0.259 1 1 693 . 24 1 1 A 71 71 GLY C C 71 170.540 171.103 -0.563 1 1 694 . 24 1 1 A 71 71 GLY CA C 71 46.300 45.303 0.997 1 1 695 . 24 1 1 A 71 71 GLY N N 71 108.960 107.614 1.346 1 1 696 . 24 1 1 A 72 72 ARG H H 72 8.341 9.067 -0.726 1 1 697 . 24 1 1 A 72 72 ARG HA H 72 4.481 5.114 -0.633 1 1 702 . 24 1 1 A 72 72 ARG C C 72 175.720 175.246 0.474 1 1 703 . 24 1 1 A 72 72 ARG CA C 72 54.800 54.285 0.515 1 1 704 . 24 1 1 A 72 72 ARG CB C 72 32.540 33.253 -0.713 1 1 705 . 24 1 1 A 72 72 ARG N N 72 120.930 122.076 -1.146 1 1 706 . 24 1 1 A 73 73 HIS H H 73 9.295 9.206 0.089 1 1 707 . 24 1 1 A 73 73 HIS HA H 73 4.403 4.835 -0.432 1 1 712 . 24 1 1 A 73 73 HIS C C 73 176.860 175.431 1.429 1 1 713 . 24 1 1 A 73 73 HIS CA C 73 57.050 57.148 -0.098 1 1 714 . 24 1 1 A 73 73 HIS N N 73 125.290 120.668 4.622 1 1 715 . 24 1 1 A 74 74 PRO HA H 74 4.373 4.445 -0.072 1 1 722 . 24 1 1 A 74 74 PRO C C 74 177.590 177.639 -0.049 1 1 723 . 24 1 1 A 74 74 PRO CA C 74 64.930 64.446 0.484 1 1 724 . 24 1 1 A 74 74 PRO CB C 74 32.030 31.721 0.309 1 1 725 . 24 1 1 A 75 75 GLU H H 75 10.575 8.889 1.686 1 1 726 . 24 1 1 A 75 75 GLU HA H 75 4.352 4.157 0.195 1 1 731 . 24 1 1 A 75 75 GLU C C 75 177.320 176.284 1.036 1 1 732 . 24 1 1 A 75 75 GLU CA C 75 56.070 58.031 -1.961 1 1 733 . 24 1 1 A 75 75 GLU CB C 75 29.010 29.770 -0.760 1 1 734 . 24 1 1 A 75 75 GLU N N 75 119.840 118.743 1.097 1 1 735 . 24 1 1 A 76 76 SER H H 76 8.236 8.165 0.071 1 1 736 . 24 1 1 A 76 76 SER HA H 76 4.100 5.233 -1.133 1 1 739 . 24 1 1 A 76 76 SER C C 76 173.120 173.879 -0.759 1 1 740 . 24 1 1 A 76 76 SER CA C 76 60.160 57.972 2.188 1 1 741 . 24 1 1 A 76 76 SER CB C 76 65.530 64.853 0.677 1 1 742 . 24 1 1 A 76 76 SER N N 76 118.860 116.035 2.825 1 1 743 . 24 1 1 A 77 77 ASP H H 77 8.541 8.805 -0.264 1 1 744 . 24 1 1 A 77 77 ASP HA H 77 4.344 4.488 -0.144 1 1 747 . 24 1 1 A 77 77 ASP C C 77 177.590 176.007 1.583 1 1 748 . 24 1 1 A 77 77 ASP CA C 77 58.380 56.476 1.904 1 1 749 . 24 1 1 A 77 77 ASP CB C 77 42.110 41.180 0.930 1 1 750 . 24 1 1 A 77 77 ASP N N 77 126.720 124.787 1.933 1 1 751 . 24 1 1 A 78 78 ILE H H 78 8.571 8.172 0.399 1 1 752 . 24 1 1 A 78 78 ILE HA H 78 3.563 3.658 -0.095 1 1 762 . 24 1 1 A 78 78 ILE C C 78 172.930 174.321 -1.391 1 1 763 . 24 1 1 A 78 78 ILE CA C 78 60.880 60.144 0.736 1 1 764 . 24 1 1 A 78 78 ILE CB C 78 37.410 36.854 0.556 1 1 765 . 24 1 1 A 78 78 ILE N N 78 120.210 120.292 -0.082 1 1 766 . 24 1 1 A 79 79 PHE H H 79 8.018 8.695 -0.677 1 1 767 . 24 1 1 A 79 79 PHE HA H 79 5.018 4.719 0.299 1 1 775 . 24 1 1 A 79 79 PHE C C 79 174.130 173.869 0.261 1 1 776 . 24 1 1 A 79 79 PHE CA C 79 55.780 56.355 -0.575 1 1 777 . 24 1 1 A 79 79 PHE CB C 79 39.170 39.832 -0.662 1 1 778 . 24 1 1 A 79 79 PHE N N 79 127.300 128.984 -1.684 1 1 779 . 24 1 1 A 80 80 LEU H H 80 7.695 9.307 -1.612 1 1 780 . 24 1 1 A 80 80 LEU HA H 80 3.619 4.779 -1.160 1 1 790 . 24 1 1 A 80 80 LEU C C 80 173.720 174.042 -0.322 1 1 791 . 24 1 1 A 80 80 LEU CA C 80 52.340 52.630 -0.290 1 1 792 . 24 1 1 A 80 80 LEU CB C 80 41.770 43.609 -1.839 1 1 793 . 24 1 1 A 80 80 LEU N N 80 131.810 127.856 3.954 1 1 794 . 24 1 1 A 81 81 ASP H H 81 7.974 9.211 -1.237 1 1 795 . 24 1 1 A 81 81 ASP HA H 81 4.141 5.023 -0.882 1 1 798 . 24 1 1 A 81 81 ASP C C 81 175.130 174.483 0.647 1 1 799 . 24 1 1 A 81 81 ASP CA C 81 53.210 52.404 0.806 1 1 800 . 24 1 1 A 81 81 ASP CB C 81 39.930 43.242 -3.312 1 1 801 . 24 1 1 A 81 81 ASP N N 81 121.130 124.924 -3.794 1 1 802 . 24 1 1 A 82 82 ASP H H 82 7.583 8.574 -0.991 1 1 803 . 24 1 1 A 82 82 ASP HA H 82 4.859 5.162 -0.303 1 1 806 . 24 1 1 A 82 82 ASP C C 82 176.760 175.998 0.762 1 1 807 . 24 1 1 A 82 82 ASP CA C 82 54.980 52.006 2.974 1 1 808 . 24 1 1 A 82 82 ASP CB C 82 39.170 44.242 -5.072 1 1 809 . 24 1 1 A 82 82 ASP N N 82 121.540 126.033 -4.493 1 1 810 . 24 1 1 A 83 83 VAL H H 83 8.344 8.110 0.234 1 1 811 . 24 1 1 A 83 83 VAL HA H 83 4.012 3.782 0.230 1 1 819 . 24 1 1 A 83 83 VAL C C 83 174.860 176.226 -1.366 1 1 820 . 24 1 1 A 83 83 VAL CA C 83 65.330 65.213 0.117 1 1 821 . 24 1 1 A 83 83 VAL CB C 83 31.530 31.966 -0.436 1 1 822 . 24 1 1 A 83 83 VAL N N 83 122.260 120.678 1.582 1 1 823 . 24 1 1 A 84 84 THR H H 84 8.268 8.239 0.029 1 1 824 . 24 1 1 A 84 84 THR HA H 84 4.540 4.481 0.059 1 1 828 . 24 1 1 A 84 84 THR C C 84 175.360 174.206 1.154 1 1 829 . 24 1 1 A 84 84 THR CA C 84 63.810 61.564 2.246 1 1 830 . 24 1 1 A 84 84 THR CB C 84 70.900 70.541 0.359 1 1 831 . 24 1 1 A 84 84 THR N N 84 110.620 111.554 -0.934 1 1 832 . 24 1 1 A 85 85 VAL H H 85 8.579 8.676 -0.097 1 1 833 . 24 1 1 A 85 85 VAL HA H 85 4.254 4.284 -0.030 1 1 841 . 24 1 1 A 85 85 VAL C C 85 177.070 175.145 1.925 1 1 842 . 24 1 1 A 85 85 VAL CA C 85 61.930 62.098 -0.168 1 1 843 . 24 1 1 A 85 85 VAL CB C 85 32.450 30.904 1.546 1 1 844 . 24 1 1 A 85 85 VAL N N 85 126.860 126.461 0.399 1 1 845 . 24 1 1 A 86 86 SER H H 86 11.668 8.810 2.858 1 1 846 . 24 1 1 A 86 86 SER HA H 86 5.203 4.593 0.610 1 1 849 . 24 1 1 A 86 86 SER C C 86 175.470 175.066 0.404 1 1 850 . 24 1 1 A 86 86 SER CA C 86 61.600 57.490 4.110 1 1 851 . 24 1 1 A 86 86 SER CB C 86 64.270 61.065 3.205 1 1 852 . 24 1 1 A 86 86 SER N N 86 128.670 125.373 3.297 1 1 853 . 24 1 1 A 87 87 ARG H H 87 10.946 8.040 2.906 1 1 854 . 24 1 1 A 87 87 ARG HA H 87 5.179 4.131 1.048 1 1 862 . 24 1 1 A 87 87 ARG C C 87 177.110 176.157 0.953 1 1 863 . 24 1 1 A 87 87 ARG CA C 87 60.810 58.378 2.432 1 1 864 . 24 1 1 A 87 87 ARG CB C 87 29.010 30.003 -0.993 1 1 865 . 24 1 1 A 87 87 ARG N N 87 126.810 122.785 4.025 1 1 867 . 24 1 1 A 88 88 ARG H H 88 7.946 7.718 0.228 1 1 868 . 24 1 1 A 88 88 ARG HA H 88 4.459 4.527 -0.068 1 1 876 . 24 1 1 A 88 88 ARG C C 88 172.990 175.650 -2.660 1 1 877 . 24 1 1 A 88 88 ARG CA C 88 55.060 55.954 -0.894 1 1 878 . 24 1 1 A 88 88 ARG CB C 88 29.770 31.554 -1.784 1 1 879 . 24 1 1 A 88 88 ARG N N 88 115.670 118.396 -2.726 1 1 881 . 24 1 1 A 89 89 HIS H H 89 7.613 8.382 -0.769 1 1 882 . 24 1 1 A 89 89 HIS HA H 89 4.437 4.535 -0.098 1 1 888 . 24 1 1 A 89 89 HIS C C 89 174.050 174.354 -0.304 1 1 889 . 24 1 1 A 89 89 HIS CA C 89 58.420 58.210 0.210 1 1 890 . 24 1 1 A 89 89 HIS CB C 89 32.620 31.445 1.175 1 1 891 . 24 1 1 A 89 89 HIS N N 89 124.000 125.424 -1.424 1 1 893 . 24 1 1 A 90 90 ALA H H 90 8.454 7.475 0.979 1 1 894 . 24 1 1 A 90 90 ALA HA H 90 5.529 4.615 0.914 1 1 898 . 24 1 1 A 90 90 ALA C C 90 176.260 174.826 1.434 1 1 899 . 24 1 1 A 90 90 ALA CA C 90 50.240 50.251 -0.011 1 1 900 . 24 1 1 A 90 90 ALA CB C 90 23.220 22.740 0.480 1 1 901 . 24 1 1 A 90 90 ALA N N 90 116.480 118.694 -2.214 1 1 902 . 24 1 1 A 91 91 GLU H H 91 9.216 8.995 0.221 1 1 903 . 24 1 1 A 91 91 GLU HA H 91 4.931 4.934 -0.003 1 1 908 . 24 1 1 A 91 91 GLU C C 91 173.910 174.632 -0.722 1 1 909 . 24 1 1 A 91 91 GLU CA C 91 54.690 54.720 -0.030 1 1 910 . 24 1 1 A 91 91 GLU CB C 91 34.720 33.335 1.385 1 1 911 . 24 1 1 A 91 91 GLU N N 91 118.140 121.223 -3.083 1 1 912 . 24 1 1 A 92 92 PHE H H 92 9.330 9.398 -0.068 1 1 913 . 24 1 1 A 92 92 PHE HA H 92 5.502 5.352 0.150 1 1 921 . 24 1 1 A 92 92 PHE C C 92 176.650 175.617 1.033 1 1 922 . 24 1 1 A 92 92 PHE CA C 92 56.760 56.542 0.218 1 1 923 . 24 1 1 A 92 92 PHE CB C 92 41.690 40.895 0.795 1 1 924 . 24 1 1 A 92 92 PHE N N 92 119.490 126.459 -6.969 1 1 925 . 24 1 1 A 93 93 ARG H H 93 9.846 9.292 0.554 1 1 926 . 24 1 1 A 93 93 ARG HA H 93 5.610 5.443 0.167 1 1 934 . 24 1 1 A 93 93 ARG C C 93 175.010 174.795 0.215 1 1 935 . 24 1 1 A 93 93 ARG CA C 93 54.580 54.296 0.284 1 1 936 . 24 1 1 A 93 93 ARG CB C 93 34.220 34.126 0.094 1 1 937 . 24 1 1 A 93 93 ARG N N 93 127.300 122.526 4.774 1 1 939 . 24 1 1 A 94 94 ILE H H 94 8.521 8.964 -0.443 1 1 940 . 24 1 1 A 94 94 ILE HA H 94 4.410 4.758 -0.348 1 1 950 . 24 1 1 A 94 94 ILE C C 94 176.420 174.740 1.680 1 1 951 . 24 1 1 A 94 94 ILE CA C 94 61.130 59.967 1.163 1 1 952 . 24 1 1 A 94 94 ILE CB C 94 38.830 38.517 0.313 1 1 953 . 24 1 1 A 94 94 ILE N N 94 121.680 123.306 -1.626 1 1 954 . 24 1 1 A 95 95 ASN H H 95 8.847 9.222 -0.375 1 1 955 . 24 1 1 A 95 95 ASN HA H 95 4.796 5.020 -0.224 1 1 960 . 24 1 1 A 95 95 ASN C C 95 174.430 174.210 0.220 1 1 961 . 24 1 1 A 95 95 ASN CA C 95 52.560 52.557 0.003 1 1 962 . 24 1 1 A 95 95 ASN CB C 95 40.510 40.863 -0.353 1 1 963 . 24 1 1 A 95 95 ASN N N 95 127.100 124.963 2.137 1 1 965 . 24 1 1 A 96 96 GLU H H 96 9.303 9.450 -0.147 1 1 966 . 24 1 1 A 96 96 GLU HA H 96 3.768 4.006 -0.238 1 1 971 . 24 1 1 A 96 96 GLU C C 96 176.280 176.410 -0.130 1 1 972 . 24 1 1 A 96 96 GLU CA C 96 57.150 57.523 -0.373 1 1 973 . 24 1 1 A 96 96 GLU CB C 96 27.590 27.992 -0.402 1 1 974 . 24 1 1 A 96 96 GLU N N 96 125.150 127.059 -1.909 1 1 975 . 24 1 1 A 97 97 GLY H H 97 7.937 8.420 -0.483 1 1 976 . 24 1 1 A 97 97 GLY HA2 H 97 4.042 3.713 0.329 1 1 977 . 24 1 1 A 97 97 GLY HA3 H 97 3.450 3.777 -0.327 1 1 978 . 24 1 1 A 97 97 GLY C C 97 172.990 173.583 -0.593 1 1 979 . 24 1 1 A 97 97 GLY CA C 97 45.390 45.246 0.144 1 1 980 . 24 1 1 A 97 97 GLY N N 97 104.330 104.767 -0.437 1 1 981 . 24 1 1 A 98 98 GLU H H 98 7.557 7.996 -0.439 1 1 982 . 24 1 1 A 98 98 GLU HA H 98 4.591 4.692 -0.101 1 1 987 . 24 1 1 A 98 98 GLU C C 98 174.530 175.560 -1.030 1 1 988 . 24 1 1 A 98 98 GLU CA C 98 54.770 54.498 0.272 1 1 989 . 24 1 1 A 98 98 GLU CB C 98 32.290 31.774 0.516 1 1 990 . 24 1 1 A 98 98 GLU N N 98 119.350 119.856 -0.506 1 1 991 . 24 1 1 A 99 99 PHE H H 99 9.412 9.076 0.336 1 1 992 . 24 1 1 A 99 99 PHE HA H 99 5.007 5.315 -0.308 1 1 999 . 24 1 1 A 99 99 PHE C C 99 174.050 175.188 -1.138 1 1 1000 . 24 1 1 A 99 99 PHE CA C 99 57.260 56.734 0.526 1 1 1001 . 24 1 1 A 99 99 PHE CB C 99 42.110 40.189 1.921 1 1 1002 . 24 1 1 A 99 99 PHE N N 99 122.550 120.812 1.738 1 1 1003 . 24 1 1 A 100 100 GLU H H 100 9.444 9.596 -0.152 1 1 1004 . 24 1 1 A 100 100 GLU HA H 100 5.145 5.194 -0.049 1 1 1009 . 24 1 1 A 100 100 GLU C C 100 175.340 174.938 0.402 1 1 1010 . 24 1 1 A 100 100 GLU CA C 100 54.080 54.731 -0.651 1 1 1011 . 24 1 1 A 100 100 GLU CB C 100 34.720 32.643 2.077 1 1 1012 . 24 1 1 A 100 100 GLU N N 100 124.080 120.798 3.282 1 1 1013 . 24 1 1 A 101 101 VAL H H 101 8.726 9.419 -0.693 1 1 1014 . 24 1 1 A 101 101 VAL HA H 101 4.900 4.760 0.140 1 1 1022 . 24 1 1 A 101 101 VAL C C 101 172.510 175.508 -2.998 1 1 1023 . 24 1 1 A 101 101 VAL CA C 101 58.710 61.703 -2.993 1 1 1024 . 24 1 1 A 101 101 VAL CB C 101 33.550 33.162 0.388 1 1 1025 . 24 1 1 A 101 101 VAL N N 101 124.500 124.734 -0.234 1 1 1026 . 24 1 1 A 102 102 VAL H H 102 8.719 9.309 -0.590 1 1 1027 . 24 1 1 A 102 102 VAL HA H 102 4.578 5.038 -0.460 1 1 1035 . 24 1 1 A 102 102 VAL C C 102 175.380 174.912 0.468 1 1 1036 . 24 1 1 A 102 102 VAL CA C 102 60.370 59.517 0.853 1 1 1037 . 24 1 1 A 102 102 VAL CB C 102 36.060 34.607 1.453 1 1 1038 . 24 1 1 A 102 102 VAL N N 102 125.900 122.149 3.751 1 1 1039 . 24 1 1 A 103 103 ASP H H 103 8.626 8.973 -0.347 1 1 1040 . 24 1 1 A 103 103 ASP HA H 103 4.856 5.203 -0.347 1 1 1043 . 24 1 1 A 103 103 ASP C C 103 177.300 176.144 1.156 1 1 1044 . 24 1 1 A 103 103 ASP CA C 103 54.580 52.593 1.987 1 1 1045 . 24 1 1 A 103 103 ASP CB C 103 44.210 42.409 1.801 1 1 1046 . 24 1 1 A 103 103 ASP N N 103 127.250 124.334 2.916 1 1 1047 . 24 1 1 A 104 104 VAL H H 104 7.890 9.090 -1.200 1 1 1048 . 24 1 1 A 104 104 VAL HA H 104 4.527 4.529 -0.002 1 1 1056 . 24 1 1 A 104 104 VAL C C 104 174.490 175.668 -1.178 1 1 1057 . 24 1 1 A 104 104 VAL CA C 104 60.630 60.697 -0.067 1 1 1058 . 24 1 1 A 104 104 VAL CB C 104 29.350 32.326 -2.976 1 1 1059 . 24 1 1 A 104 104 VAL N N 104 119.270 117.672 1.598 1 1 1060 . 24 1 1 A 105 105 GLY H H 105 8.690 7.362 1.328 1 1 1061 . 24 1 1 A 105 105 GLY HA2 H 105 4.270 3.771 0.499 1 1 1062 . 24 1 1 A 105 105 GLY HA3 H 105 3.685 3.964 -0.279 1 1 1063 . 24 1 1 A 105 105 GLY C C 105 175.490 174.467 1.023 1 1 1064 . 24 1 1 A 105 105 GLY CA C 105 45.650 45.721 -0.071 1 1 1065 . 24 1 1 A 105 105 GLY N N 105 111.790 110.525 1.265 1 1 1066 . 24 1 1 A 106 106 SER H H 106 9.218 8.284 0.934 1 1 1067 . 24 1 1 A 106 106 SER HA H 106 3.894 4.240 -0.346 1 1 1070 . 24 1 1 A 106 106 SER C C 106 174.590 176.055 -1.465 1 1 1071 . 24 1 1 A 106 106 SER CA C 106 58.600 59.913 -1.313 1 1 1072 . 24 1 1 A 106 106 SER CB C 106 61.250 62.797 -1.547 1 1 1073 . 24 1 1 A 106 106 SER N N 106 121.540 118.314 3.226 1 1 1074 . 24 1 1 A 107 107 LEU H H 107 8.018 7.748 0.270 1 1 1075 . 24 1 1 A 107 107 LEU HA H 107 4.240 4.013 0.227 1 1 1085 . 24 1 1 A 107 107 LEU C C 107 179.420 178.668 0.752 1 1 1086 . 24 1 1 A 107 107 LEU CA C 107 57.590 57.603 -0.013 1 1 1087 . 24 1 1 A 107 107 LEU CB C 107 42.360 41.466 0.894 1 1 1088 . 24 1 1 A 107 107 LEU N N 107 121.520 121.181 0.339 1 1 1089 . 24 1 1 A 108 108 ASN H H 108 8.799 7.160 1.639 1 1 1090 . 24 1 1 A 108 108 ASN HA H 108 4.986 4.556 0.430 1 1 1093 . 24 1 1 A 108 108 ASN C C 108 175.950 176.141 -0.191 1 1 1094 . 24 1 1 A 108 108 ASN CA C 108 54.440 52.955 1.485 1 1 1095 . 24 1 1 A 108 108 ASN CB C 108 41.180 39.080 2.100 1 1 1096 . 24 1 1 A 108 108 ASN N N 108 111.800 113.568 -1.768 1 1 1097 . 24 1 1 A 109 109 GLY H H 109 8.025 7.294 0.731 1 1 1098 . 24 1 1 A 109 109 GLY HA2 H 109 4.237 3.659 0.578 1 1 1099 . 24 1 1 A 109 109 GLY HA3 H 109 3.621 3.756 -0.135 1 1 1100 . 24 1 1 A 109 109 GLY C C 109 173.820 173.529 0.291 1 1 1101 . 24 1 1 A 109 109 GLY CA C 109 44.340 44.709 -0.369 1 1 1102 . 24 1 1 A 109 109 GLY N N 109 110.600 107.409 3.191 1 1 1103 . 24 1 1 A 110 110 THR H H 110 8.770 8.651 0.119 1 1 1104 . 24 1 1 A 110 110 THR HA H 110 4.797 4.466 0.331 1 1 1109 . 24 1 1 A 110 110 THR C C 110 172.570 173.434 -0.864 1 1 1110 . 24 1 1 A 110 110 THR CA C 110 64.540 63.120 1.420 1 1 1111 . 24 1 1 A 110 110 THR CB C 110 70.230 69.255 0.975 1 1 1112 . 24 1 1 A 110 110 THR N N 110 121.240 118.727 2.513 1 1 1113 . 24 1 1 A 111 111 TYR H H 111 8.272 9.256 -0.984 1 1 1114 . 24 1 1 A 111 111 TYR HA H 111 5.155 5.511 -0.356 1 1 1121 . 24 1 1 A 111 111 TYR C C 111 175.860 175.225 0.635 1 1 1122 . 24 1 1 A 111 111 TYR CA C 111 55.820 56.641 -0.821 1 1 1123 . 24 1 1 A 111 111 TYR CB C 111 41.100 41.389 -0.289 1 1 1124 . 24 1 1 A 111 111 TYR N N 111 123.680 126.253 -2.573 1 1 1125 . 24 1 1 A 112 112 VAL H H 112 9.017 9.366 -0.349 1 1 1126 . 24 1 1 A 112 112 VAL HA H 112 4.951 4.833 0.118 1 1 1134 . 24 1 1 A 112 112 VAL C C 112 176.780 176.166 0.614 1 1 1135 . 24 1 1 A 112 112 VAL CA C 112 61.130 61.043 0.087 1 1 1136 . 24 1 1 A 112 112 VAL CB C 112 32.870 34.341 -1.471 1 1 1137 . 24 1 1 A 112 112 VAL N N 112 121.300 123.423 -2.123 1 1 1138 . 24 1 1 A 113 113 ASN H H 113 10.285 9.915 0.370 1 1 1139 . 24 1 1 A 113 113 ASN HA H 113 4.483 4.827 -0.344 1 1 1144 . 24 1 1 A 113 113 ASN C C 113 174.590 174.404 0.186 1 1 1145 . 24 1 1 A 113 113 ASN CA C 113 55.160 54.778 0.382 1 1 1146 . 24 1 1 A 113 113 ASN CB C 113 37.240 36.881 0.359 1 1 1147 . 24 1 1 A 113 113 ASN N N 113 129.510 127.564 1.946 1 1 1149 . 24 1 1 A 114 114 ARG H H 114 9.459 8.428 1.031 1 1 1150 . 24 1 1 A 114 114 ARG HA H 114 3.659 3.846 -0.187 1 1 1158 . 24 1 1 A 114 114 ARG C C 114 174.900 174.963 -0.063 1 1 1159 . 24 1 1 A 114 114 ARG CA C 114 58.280 57.616 0.664 1 1 1160 . 24 1 1 A 114 114 ARG CB C 114 27.250 27.631 -0.381 1 1 1161 . 24 1 1 A 114 114 ARG N N 114 106.570 108.868 -2.298 1 1 1163 . 24 1 1 A 115 115 GLU H H 115 7.827 7.853 -0.026 1 1 1164 . 24 1 1 A 115 115 GLU HA H 115 5.153 4.770 0.383 1 1 1169 . 24 1 1 A 115 115 GLU C C 115 173.950 174.408 -0.458 1 1 1170 . 24 1 1 A 115 115 GLU CA C 115 52.990 52.908 0.082 1 1 1171 . 24 1 1 A 115 115 GLU N N 115 119.780 118.605 1.175 1 1 1172 . 24 1 1 A 116 116 PRO HA H 116 3.983 4.783 -0.800 1 1 1177 . 24 1 1 A 116 116 PRO C C 116 177.780 176.052 1.728 1 1 1178 . 24 1 1 A 116 116 PRO CA C 116 62.910 63.262 -0.352 1 1 1179 . 24 1 1 A 116 116 PRO CB C 116 31.200 31.743 -0.543 1 1 1180 . 24 1 1 A 117 117 ARG H H 117 8.414 8.907 -0.493 1 1 1181 . 24 1 1 A 117 117 ARG HA H 117 4.699 4.711 -0.012 1 1 1189 . 24 1 1 A 117 117 ARG C C 117 175.260 175.505 -0.245 1 1 1190 . 24 1 1 A 117 117 ARG CA C 117 52.990 54.350 -1.360 1 1 1191 . 24 1 1 A 117 117 ARG CB C 117 24.560 34.763 -10.203 1 1 1192 . 24 1 1 A 117 117 ARG N N 117 121.900 123.769 -1.869 1 1 1194 . 24 1 1 A 118 118 ASN H H 118 8.741 8.707 0.034 1 1 1195 . 24 1 1 A 118 118 ASN HA H 118 4.731 5.686 -0.955 1 1 1200 . 24 1 1 A 118 118 ASN C C 118 175.220 175.337 -0.117 1 1 1201 . 24 1 1 A 118 118 ASN CA C 118 55.090 53.990 1.100 1 1 1202 . 24 1 1 A 118 118 ASN CB C 118 38.920 41.016 -2.096 1 1 1203 . 24 1 1 A 118 118 ASN N N 118 120.190 118.233 1.957 1 1 1205 . 24 1 1 A 119 119 ALA H H 119 7.372 7.689 -0.317 1 1 1206 . 24 1 1 A 119 119 ALA HA H 119 5.319 5.151 0.168 1 1 1210 . 24 1 1 A 119 119 ALA C C 119 176.720 175.109 1.611 1 1 1211 . 24 1 1 A 119 119 ALA CA C 119 52.120 51.149 0.971 1 1 1212 . 24 1 1 A 119 119 ALA CB C 119 21.460 22.351 -0.891 1 1 1213 . 24 1 1 A 119 119 ALA N N 119 120.380 118.846 1.534 1 1 1214 . 24 1 1 A 120 120 GLN H H 120 8.787 8.890 -0.103 1 1 1215 . 24 1 1 A 120 120 GLN HA H 120 4.505 4.636 -0.131 1 1 1222 . 24 1 1 A 120 120 GLN C C 120 174.380 173.883 0.497 1 1 1223 . 24 1 1 A 120 120 GLN CA C 120 56.030 55.171 0.859 1 1 1224 . 24 1 1 A 120 120 GLN CB C 120 32.790 32.992 -0.202 1 1 1225 . 24 1 1 A 120 120 GLN N N 120 121.180 121.694 -0.514 1 1 1227 . 24 1 1 A 121 121 VAL H H 121 8.692 8.726 -0.034 1 1 1228 . 24 1 1 A 121 121 VAL HA H 121 4.258 4.645 -0.387 1 1 1236 . 24 1 1 A 121 121 VAL C C 121 176.510 175.620 0.890 1 1 1237 . 24 1 1 A 121 121 VAL CA C 121 64.140 62.246 1.894 1 1 1238 . 24 1 1 A 121 121 VAL CB C 121 31.700 32.285 -0.585 1 1 1239 . 24 1 1 A 121 121 VAL N N 121 129.930 126.935 2.995 1 1 1240 . 24 1 1 A 122 122 MET H H 122 8.924 8.664 0.260 1 1 1241 . 24 1 1 A 122 122 MET HA H 122 4.419 5.044 -0.625 1 1 1249 . 24 1 1 A 122 122 MET C C 122 174.380 175.691 -1.311 1 1 1250 . 24 1 1 A 122 122 MET CA C 122 55.740 53.878 1.862 1 1 1251 . 24 1 1 A 122 122 MET CB C 122 35.140 33.793 1.347 1 1 1252 . 24 1 1 A 122 122 MET N N 122 129.560 126.602 2.958 1 1 1253 . 24 1 1 A 123 123 GLN H H 123 9.002 9.028 -0.026 1 1 1254 . 24 1 1 A 123 123 GLN HA H 123 4.823 4.825 -0.002 1 1 1261 . 24 1 1 A 123 123 GLN C C 123 175.530 175.613 -0.083 1 1 1262 . 24 1 1 A 123 123 GLN CA C 123 53.570 54.363 -0.793 1 1 1263 . 24 1 1 A 123 123 GLN CB C 123 32.290 31.108 1.182 1 1 1264 . 24 1 1 A 123 123 GLN N N 123 119.810 122.381 -2.571 1 1 1266 . 24 1 1 A 124 124 THR H H 124 9.036 8.688 0.348 1 1 1267 . 24 1 1 A 124 124 THR HA H 124 4.208 4.408 -0.200 1 1 1272 . 24 1 1 A 124 124 THR C C 124 175.300 175.637 -0.337 1 1 1273 . 24 1 1 A 124 124 THR CA C 124 65.510 63.858 1.652 1 1 1274 . 24 1 1 A 124 124 THR CB C 124 69.560 68.575 0.985 1 1 1275 . 24 1 1 A 124 124 THR N N 124 119.570 116.930 2.640 1 1 1276 . 24 1 1 A 125 125 GLY H H 125 9.921 9.717 0.204 1 1 1277 . 24 1 1 A 125 125 GLY HA2 H 125 4.552 4.012 0.540 1 1 1278 . 24 1 1 A 125 125 GLY HA3 H 125 3.480 4.022 -0.542 1 1 1279 . 24 1 1 A 125 125 GLY C C 125 174.650 174.321 0.329 1 1 1280 . 24 1 1 A 125 125 GLY CA C 125 44.710 44.912 -0.202 1 1 1281 . 24 1 1 A 125 125 GLY N N 125 117.920 116.898 1.022 1 1 1282 . 24 1 1 A 126 126 ASP H H 126 8.638 8.076 0.562 1 1 1283 . 24 1 1 A 126 126 ASP HA H 126 4.876 4.840 0.036 1 1 1286 . 24 1 1 A 126 126 ASP C C 126 174.650 175.323 -0.673 1 1 1287 . 24 1 1 A 126 126 ASP CA C 126 56.140 54.368 1.772 1 1 1288 . 24 1 1 A 126 126 ASP CB C 126 41.690 41.981 -0.291 1 1 1289 . 24 1 1 A 126 126 ASP N N 126 123.190 121.256 1.934 1 1 1290 . 24 1 1 A 127 127 GLU H H 127 8.316 8.764 -0.448 1 1 1291 . 24 1 1 A 127 127 GLU HA H 127 5.341 5.371 -0.030 1 1 1296 . 24 1 1 A 127 127 GLU C C 127 175.990 175.337 0.653 1 1 1297 . 24 1 1 A 127 127 GLU CA C 127 54.440 55.118 -0.678 1 1 1298 . 24 1 1 A 127 127 GLU CB C 127 32.790 32.016 0.774 1 1 1299 . 24 1 1 A 127 127 GLU N N 127 118.480 118.600 -0.120 1 1 1300 . 24 1 1 A 128 128 ILE H H 128 9.910 9.590 0.320 1 1 1301 . 24 1 1 A 128 128 ILE HA H 128 5.334 5.130 0.204 1 1 1311 . 24 1 1 A 128 128 ILE C C 128 174.700 174.857 -0.157 1 1 1312 . 24 1 1 A 128 128 ILE CA C 128 59.470 60.469 -0.999 1 1 1313 . 24 1 1 A 128 128 ILE CB C 128 40.600 40.255 0.345 1 1 1314 . 24 1 1 A 128 128 ILE N N 128 128.810 126.371 2.439 1 1 1315 . 24 1 1 A 129 129 GLN H H 129 9.502 9.634 -0.132 1 1 1316 . 24 1 1 A 129 129 GLN HA H 129 5.406 5.778 -0.372 1 1 1323 . 24 1 1 A 129 129 GLN C C 129 174.950 174.852 0.098 1 1 1324 . 24 1 1 A 129 129 GLN CA C 129 54.800 54.559 0.241 1 1 1325 . 24 1 1 A 129 129 GLN CB C 129 30.690 31.439 -0.749 1 1 1326 . 24 1 1 A 129 129 GLN N N 129 129.270 126.541 2.729 1 1 1328 . 24 1 1 A 130 130 ILE H H 130 8.498 9.030 -0.532 1 1 1329 . 24 1 1 A 130 130 ILE HA H 130 4.116 4.222 -0.106 1 1 1339 . 24 1 1 A 130 130 ILE C C 130 174.860 176.378 -1.518 1 1 1340 . 24 1 1 A 130 130 ILE CA C 130 60.740 60.030 0.710 1 1 1341 . 24 1 1 A 130 130 ILE CB C 130 41.440 38.693 2.747 1 1 1342 . 24 1 1 A 130 130 ILE N N 130 129.070 124.356 4.714 1 1 1343 . 24 1 1 A 131 131 GLY H H 131 9.924 9.050 0.874 1 1 1344 . 24 1 1 A 131 131 GLY HA2 H 131 3.768 3.785 -0.017 1 1 1345 . 24 1 1 A 131 131 GLY HA3 H 131 3.337 3.951 -0.614 1 1 1346 . 24 1 1 A 131 131 GLY C C 131 174.590 174.359 0.231 1 1 1347 . 24 1 1 A 131 131 GLY CA C 131 46.700 46.678 0.022 1 1 1348 . 24 1 1 A 131 131 GLY N N 131 116.470 118.164 -1.694 1 1 1349 . 24 1 1 A 132 132 LYS H H 132 7.141 8.497 -1.356 1 1 1350 . 24 1 1 A 132 132 LYS HA H 132 3.750 4.573 -0.823 1 1 1357 . 24 1 1 A 132 132 LYS C C 132 175.820 175.955 -0.135 1 1 1358 . 24 1 1 A 132 132 LYS CA C 132 57.550 55.944 1.606 1 1 1359 . 24 1 1 A 132 132 LYS CB C 132 33.300 34.168 -0.868 1 1 1360 . 24 1 1 A 132 132 LYS N N 132 122.960 119.082 3.878 1 1 1361 . 24 1 1 A 133 133 PHE H H 133 8.360 8.235 0.125 1 1 1362 . 24 1 1 A 133 133 PHE HA H 133 4.601 4.844 -0.243 1 1 1370 . 24 1 1 A 133 133 PHE C C 133 174.910 175.280 -0.370 1 1 1371 . 24 1 1 A 133 133 PHE CA C 133 58.600 57.738 0.862 1 1 1372 . 24 1 1 A 133 133 PHE CB C 133 40.510 40.335 0.175 1 1 1373 . 24 1 1 A 133 133 PHE N N 133 118.170 120.977 -2.807 1 1 1374 . 24 1 1 A 134 134 ARG H H 134 8.698 9.045 -0.347 1 1 1375 . 24 1 1 A 134 134 ARG HA H 134 5.212 5.505 -0.293 1 1 1383 . 24 1 1 A 134 134 ARG C C 134 175.150 175.277 -0.127 1 1 1384 . 24 1 1 A 134 134 ARG CA C 134 55.060 55.075 -0.015 1 1 1385 . 24 1 1 A 134 134 ARG CB C 134 33.550 32.179 1.371 1 1 1386 . 24 1 1 A 134 134 ARG N N 134 120.770 121.448 -0.678 1 1 1388 . 24 1 1 A 135 135 LEU H H 135 9.904 9.633 0.271 1 1 1389 . 24 1 1 A 135 135 LEU HA H 135 5.544 5.155 0.389 1 1 1399 . 24 1 1 A 135 135 LEU C C 135 175.260 175.733 -0.473 1 1 1400 . 24 1 1 A 135 135 LEU CA C 135 53.930 53.363 0.567 1 1 1401 . 24 1 1 A 135 135 LEU CB C 135 45.550 43.929 1.621 1 1 1402 . 24 1 1 A 135 135 LEU N N 135 127.130 126.236 0.894 1 1 1403 . 24 1 1 A 136 136 VAL H H 136 9.350 9.550 -0.200 1 1 1404 . 24 1 1 A 136 136 VAL HA H 136 5.226 5.088 0.138 1 1 1412 . 24 1 1 A 136 136 VAL C C 136 174.050 174.511 -0.461 1 1 1413 . 24 1 1 A 136 136 VAL CA C 136 60.520 60.555 -0.035 1 1 1414 . 24 1 1 A 136 136 VAL CB C 136 34.890 33.724 1.166 1 1 1415 . 24 1 1 A 136 136 VAL N N 136 121.300 124.117 -2.817 1 1 1416 . 24 1 1 A 137 137 PHE H H 137 8.492 9.008 -0.516 1 1 1417 . 24 1 1 A 137 137 PHE HA H 137 5.007 4.791 0.216 1 1 1424 . 24 1 1 A 137 137 PHE C C 137 173.340 173.975 -0.635 1 1 1425 . 24 1 1 A 137 137 PHE CA C 137 57.010 57.254 -0.244 1 1 1426 . 24 1 1 A 137 137 PHE CB C 137 41.770 40.525 1.245 1 1 1427 . 24 1 1 A 137 137 PHE N N 137 127.550 128.590 -1.040 1 1 1428 . 24 1 1 A 138 138 LEU H H 138 8.535 8.611 -0.076 1 1 1429 . 24 1 1 A 138 138 LEU HA H 138 4.345 4.971 -0.626 1 1 1439 . 24 1 1 A 138 138 LEU C C 138 173.390 174.937 -1.547 1 1 1440 . 24 1 1 A 138 138 LEU CA C 138 53.680 53.168 0.512 1 1 1441 . 24 1 1 A 138 138 LEU CB C 138 45.210 45.736 -0.526 1 1 1442 . 24 1 1 A 138 138 LEU N N 138 128.590 127.456 1.134 1 1 1443 . 24 1 1 A 139 139 ALA H H 139 7.502 7.948 -0.446 1 1 1444 . 24 1 1 A 139 139 ALA HA H 139 3.952 4.073 -0.121 1 1 1448 . 24 1 1 A 139 139 ALA C C 139 178.010 177.640 0.370 1 1 1449 . 24 1 1 A 139 139 ALA CA C 139 51.650 51.891 -0.241 1 1 1450 . 24 1 1 A 139 139 ALA CB C 139 20.700 18.838 1.862 1 1 1451 . 24 1 1 A 139 139 ALA N N 139 123.250 124.733 -1.483 1 1 1452 . 24 1 1 A 140 140 GLY H H 140 7.968 8.031 -0.063 1 1 1453 . 24 1 1 A 140 140 GLY HA2 H 140 4.202 3.969 0.233 1 1 1454 . 24 1 1 A 140 140 GLY HA3 H 140 3.595 4.002 -0.407 1 1 1455 . 24 1 1 A 140 140 GLY C C 140 171.240 173.031 -1.791 1 1 1456 . 24 1 1 A 140 140 GLY CA C 140 44.710 44.057 0.653 1 1 1457 . 24 1 1 A 140 140 GLY N N 140 108.040 108.626 -0.586 1 1 1458 . 24 1 1 A 141 141 PRO HA H 141 4.460 4.692 -0.232 1 1 1463 . 24 1 1 A 141 141 PRO C C 141 176.150 175.893 0.257 1 1 1464 . 24 1 1 A 141 141 PRO CA C 141 63.230 62.604 0.626 1 1 1465 . 24 1 1 A 141 141 PRO CB C 141 32.370 32.636 -0.266 1 1 1466 . 24 1 1 A 142 142 ALA H H 142 8.496 8.469 0.027 1 1 1467 . 24 1 1 A 142 142 ALA HA H 142 4.363 4.578 -0.215 1 1 1471 . 24 1 1 A 142 142 ALA C C 142 177.320 175.916 1.404 1 1 1472 . 24 1 1 A 142 142 ALA CA C 142 52.740 50.723 2.017 1 1 1473 . 24 1 1 A 142 142 ALA CB C 142 19.780 19.100 0.680 1 1 1474 . 24 1 1 A 142 142 ALA N N 142 124.080 125.142 -1.062 1 1 4 . 25 1 1 A 2 2 SER H H 2 8.404 8.867 -0.463 1 1 5 . 25 1 1 A 2 2 SER HA H 2 4.430 5.110 -0.680 1 1 8 . 25 1 1 A 2 2 SER C C 2 174.220 172.696 1.524 1 1 9 . 25 1 1 A 2 2 SER CA C 2 58.650 57.431 1.219 1 1 10 . 25 1 1 A 2 2 SER CB C 2 64.280 64.561 -0.281 1 1 11 . 25 1 1 A 2 2 SER N N 2 116.880 120.449 -3.569 1 1 12 . 25 1 1 A 3 3 ASP H H 3 8.314 8.873 -0.559 1 1 13 . 25 1 1 A 3 3 ASP HA H 3 4.594 5.189 -0.595 1 1 16 . 25 1 1 A 3 3 ASP C C 3 176.070 174.928 1.142 1 1 17 . 25 1 1 A 3 3 ASP CA C 3 54.580 53.256 1.324 1 1 18 . 25 1 1 A 3 3 ASP CB C 3 41.530 43.356 -1.826 1 1 19 . 25 1 1 A 3 3 ASP N N 3 122.210 125.610 -3.400 1 1 20 . 25 1 1 A 4 4 ASN H H 4 8.326 8.808 -0.482 1 1 21 . 25 1 1 A 4 4 ASN HA H 4 4.748 5.544 -0.796 1 1 24 . 25 1 1 A 4 4 ASN C C 4 175.130 174.264 0.866 1 1 25 . 25 1 1 A 4 4 ASN CA C 4 53.430 51.981 1.449 1 1 26 . 25 1 1 A 4 4 ASN CB C 4 38.920 42.269 -3.349 1 1 27 . 25 1 1 A 4 4 ASN N N 4 118.670 121.624 -2.954 1 1 28 . 25 1 1 A 5 5 ASN H H 5 8.467 8.923 -0.456 1 1 29 . 25 1 1 A 5 5 ASN HA H 5 4.702 5.377 -0.675 1 1 32 . 25 1 1 A 5 5 ASN C C 5 175.700 173.823 1.877 1 1 33 . 25 1 1 A 5 5 ASN CA C 5 53.610 51.672 1.938 1 1 34 . 25 1 1 A 5 5 ASN CB C 5 39.090 42.742 -3.652 1 1 35 . 25 1 1 A 5 5 ASN N N 5 119.070 122.048 -2.978 1 1 36 . 25 1 1 A 6 6 GLY H H 6 8.333 8.448 -0.115 1 1 37 . 25 1 1 A 6 6 GLY HA2 H 6 3.960 4.088 -0.128 1 1 38 . 25 1 1 A 6 6 GLY HA3 H 6 3.960 4.089 -0.129 1 1 39 . 25 1 1 A 6 6 GLY C C 6 174.050 172.832 1.218 1 1 40 . 25 1 1 A 6 6 GLY CA C 6 45.390 45.383 0.007 1 1 41 . 25 1 1 A 6 6 GLY N N 6 109.000 107.292 1.708 1 1 42 . 25 1 1 A 7 7 THR H H 7 8.076 8.292 -0.216 1 1 43 . 25 1 1 A 7 7 THR HA H 7 4.591 4.589 0.002 1 1 48 . 25 1 1 A 7 7 THR C C 7 172.840 172.998 -0.158 1 1 49 . 25 1 1 A 7 7 THR CA C 7 60.050 60.161 -0.111 1 1 50 . 25 1 1 A 7 7 THR N N 7 116.910 116.926 -0.016 1 1 51 . 25 1 1 A 8 8 PRO HA H 8 4.414 4.527 -0.113 1 1 54 . 25 1 1 A 8 8 PRO C C 8 176.690 176.701 -0.011 1 1 55 . 25 1 1 A 8 8 PRO CA C 8 63.090 62.843 0.247 1 1 56 . 25 1 1 A 8 8 PRO CB C 8 32.290 31.749 0.541 1 1 57 . 25 1 1 A 9 9 GLU H H 9 8.467 8.417 0.050 1 1 58 . 25 1 1 A 9 9 GLU HA H 9 4.527 4.453 0.074 1 1 63 . 25 1 1 A 9 9 GLU C C 9 174.680 175.743 -1.063 1 1 64 . 25 1 1 A 9 9 GLU CA C 9 54.550 54.938 -0.388 1 1 65 . 25 1 1 A 9 9 GLU N N 9 122.910 119.626 3.284 1 1 66 . 25 1 1 A 10 10 PRO HA H 10 4.371 4.485 -0.114 1 1 71 . 25 1 1 A 10 10 PRO C C 10 176.820 176.090 0.730 1 1 72 . 25 1 1 A 10 10 PRO CA C 10 63.300 63.051 0.249 1 1 73 . 25 1 1 A 10 10 PRO CB C 10 32.290 31.631 0.659 1 1 74 . 25 1 1 A 11 11 GLN H H 11 8.543 8.675 -0.132 1 1 75 . 25 1 1 A 11 11 GLN HA H 11 4.334 4.975 -0.641 1 1 82 . 25 1 1 A 11 11 GLN C C 11 176.010 174.855 1.155 1 1 83 . 25 1 1 A 11 11 GLN CA C 11 55.710 54.929 0.781 1 1 84 . 25 1 1 A 11 11 GLN CB C 11 29.520 31.104 -1.584 1 1 85 . 25 1 1 A 11 11 GLN N N 11 121.100 123.637 -2.537 1 1 87 . 25 1 1 A 12 12 VAL H H 12 8.201 8.270 -0.069 1 1 88 . 25 1 1 A 12 12 VAL HA H 12 4.144 4.846 -0.702 1 1 96 . 25 1 1 A 12 12 VAL C C 12 175.940 174.854 1.086 1 1 97 . 25 1 1 A 12 12 VAL CA C 12 62.110 61.162 0.948 1 1 98 . 25 1 1 A 12 12 VAL CB C 12 32.800 33.282 -0.482 1 1 99 . 25 1 1 A 12 12 VAL N N 12 122.070 121.558 0.512 1 1 100 . 25 1 1 A 13 13 GLU H H 13 8.593 8.418 0.175 1 1 101 . 25 1 1 A 13 13 GLU HA H 13 4.329 4.712 -0.383 1 1 106 . 25 1 1 A 13 13 GLU C C 13 176.720 175.481 1.239 1 1 107 . 25 1 1 A 13 13 GLU CA C 13 56.830 55.238 1.592 1 1 108 . 25 1 1 A 13 13 GLU CB C 13 30.860 34.011 -3.151 1 1 109 . 25 1 1 A 13 13 GLU N N 13 124.660 125.779 -1.119 1 1 138 . 25 1 1 A 17 17 VAL H H 17 8.458 8.623 -0.165 1 1 139 . 25 1 1 A 17 17 VAL HA H 17 4.183 4.514 -0.331 1 1 147 . 25 1 1 A 17 17 VAL C C 17 175.950 175.031 0.919 1 1 148 . 25 1 1 A 17 17 VAL CA C 17 63.780 62.373 1.407 1 1 149 . 25 1 1 A 17 17 VAL CB C 17 32.460 32.285 0.175 1 1 150 . 25 1 1 A 17 17 VAL N N 17 124.860 125.576 -0.716 1 1 151 . 25 1 1 A 18 18 PHE H H 18 8.579 9.505 -0.926 1 1 152 . 25 1 1 A 18 18 PHE HA H 18 4.650 4.639 0.011 1 1 160 . 25 1 1 A 18 18 PHE C C 18 173.450 173.743 -0.293 1 1 161 . 25 1 1 A 18 18 PHE CA C 18 57.480 56.751 0.729 1 1 162 . 25 1 1 A 18 18 PHE CB C 18 41.950 39.166 2.784 1 1 163 . 25 1 1 A 18 18 PHE N N 18 127.160 128.348 -1.188 1 1 164 . 25 1 1 A 19 19 ARG H H 19 7.920 8.856 -0.936 1 1 165 . 25 1 1 A 19 19 ARG HA H 19 4.196 4.634 -0.438 1 1 170 . 25 1 1 A 19 19 ARG C C 19 174.930 174.909 0.021 1 1 171 . 25 1 1 A 19 19 ARG CA C 19 54.800 55.551 -0.751 1 1 172 . 25 1 1 A 19 19 ARG CB C 19 30.610 30.337 0.273 1 1 173 . 25 1 1 A 19 19 ARG N N 19 127.500 127.152 0.348 1 1 174 . 25 1 1 A 20 20 ALA H H 20 8.067 8.044 0.023 1 1 175 . 25 1 1 A 20 20 ALA HA H 20 3.729 4.703 -0.974 1 1 179 . 25 1 1 A 20 20 ALA C C 20 177.630 177.963 -0.333 1 1 180 . 25 1 1 A 20 20 ALA CA C 20 53.280 50.054 3.226 1 1 181 . 25 1 1 A 20 20 ALA CB C 20 18.860 22.838 -3.978 1 1 182 . 25 1 1 A 20 20 ALA N N 20 126.460 126.834 -0.374 1 1 183 . 25 1 1 A 21 21 ASP H H 21 8.355 8.925 -0.570 1 1 184 . 25 1 1 A 21 21 ASP HA H 21 4.350 4.481 -0.131 1 1 187 . 25 1 1 A 21 21 ASP C C 21 176.720 177.158 -0.438 1 1 188 . 25 1 1 A 21 21 ASP CA C 21 54.480 55.067 -0.587 1 1 189 . 25 1 1 A 21 21 ASP CB C 21 40.350 39.608 0.742 1 1 190 . 25 1 1 A 21 21 ASP N N 21 117.850 118.958 -1.108 1 1 191 . 25 1 1 A 22 22 LEU H H 22 7.705 7.867 -0.162 1 1 192 . 25 1 1 A 22 22 LEU HA H 22 4.088 4.071 0.017 1 1 202 . 25 1 1 A 22 22 LEU C C 22 177.760 178.308 -0.548 1 1 203 . 25 1 1 A 22 22 LEU CA C 22 55.780 57.655 -1.875 1 1 204 . 25 1 1 A 22 22 LEU CB C 22 41.860 41.355 0.505 1 1 205 . 25 1 1 A 22 22 LEU N N 22 121.600 119.228 2.372 1 1 206 . 25 1 1 A 23 23 LEU H H 23 7.717 8.066 -0.349 1 1 207 . 25 1 1 A 23 23 LEU HA H 23 4.166 4.337 -0.171 1 1 217 . 25 1 1 A 23 23 LEU C C 23 177.840 178.883 -1.043 1 1 218 . 25 1 1 A 23 23 LEU CA C 23 55.960 57.929 -1.969 1 1 219 . 25 1 1 A 23 23 LEU CB C 23 41.950 41.131 0.819 1 1 220 . 25 1 1 A 23 23 LEU N N 23 120.360 119.104 1.256 1 1 221 . 25 1 1 A 24 24 LYS H H 24 7.933 7.948 -0.015 1 1 222 . 25 1 1 A 24 24 LYS HA H 24 4.174 4.111 0.063 1 1 229 . 25 1 1 A 24 24 LYS C C 24 177.190 179.299 -2.109 1 1 230 . 25 1 1 A 24 24 LYS CA C 24 57.050 59.757 -2.707 1 1 231 . 25 1 1 A 24 24 LYS CB C 24 32.880 31.964 0.916 1 1 232 . 25 1 1 A 24 24 LYS N N 24 121.120 118.639 2.481 1 1 233 . 25 1 1 A 25 25 GLU H H 25 8.160 8.187 -0.027 1 1 234 . 25 1 1 A 25 25 GLU HA H 25 4.199 4.058 0.141 1 1 239 . 25 1 1 A 25 25 GLU C C 25 176.900 178.775 -1.875 1 1 240 . 25 1 1 A 25 25 GLU CA C 25 57.010 59.367 -2.357 1 1 241 . 25 1 1 A 25 25 GLU CB C 25 30.280 29.281 0.999 1 1 242 . 25 1 1 A 25 25 GLU N N 25 121.550 119.598 1.952 1 1 243 . 25 1 1 A 26 26 MET H H 26 8.270 8.278 -0.008 1 1 244 . 25 1 1 A 26 26 MET HA H 26 4.360 4.441 -0.081 1 1 252 . 25 1 1 A 26 26 MET C C 26 176.440 178.292 -1.852 1 1 253 . 25 1 1 A 26 26 MET CA C 26 56.180 57.509 -1.329 1 1 254 . 25 1 1 A 26 26 MET CB C 26 33.050 32.425 0.625 1 1 255 . 25 1 1 A 26 26 MET N N 26 120.730 117.758 2.972 1 1 256 . 25 1 1 A 27 27 GLU H H 27 8.297 7.536 0.761 1 1 257 . 25 1 1 A 27 27 GLU HA H 27 4.264 4.108 0.156 1 1 262 . 25 1 1 A 27 27 GLU C C 27 176.650 178.536 -1.886 1 1 263 . 25 1 1 A 27 27 GLU CA C 27 56.830 58.867 -2.037 1 1 264 . 25 1 1 A 27 27 GLU CB C 27 30.530 29.275 1.255 1 1 265 . 25 1 1 A 27 27 GLU N N 27 121.650 120.909 0.741 1 1 266 . 25 1 1 A 28 28 SER H H 28 8.279 8.066 0.213 1 1 267 . 25 1 1 A 28 28 SER HA H 28 4.473 4.194 0.279 1 1 270 . 25 1 1 A 28 28 SER C C 28 174.760 176.589 -1.829 1 1 271 . 25 1 1 A 28 28 SER CA C 28 58.460 61.295 -2.835 1 1 272 . 25 1 1 A 28 28 SER CB C 28 64.190 62.715 1.475 1 1 273 . 25 1 1 A 28 28 SER N N 28 116.610 114.994 1.616 1 1 274 . 25 1 1 A 29 29 SER H H 29 8.443 7.840 0.603 1 1 275 . 25 1 1 A 29 29 SER HA H 29 4.541 4.375 0.166 1 1 278 . 25 1 1 A 29 29 SER C C 29 174.950 174.597 0.353 1 1 279 . 25 1 1 A 29 29 SER CA C 29 58.530 58.989 -0.459 1 1 280 . 25 1 1 A 29 29 SER CB C 29 64.190 64.246 -0.056 1 1 281 . 25 1 1 A 29 29 SER N N 29 118.290 112.334 5.956 1 1 282 . 25 1 1 A 30 30 THR H H 30 8.220 7.921 0.299 1 1 283 . 25 1 1 A 30 30 THR HA H 30 4.372 3.907 0.465 1 1 288 . 25 1 1 A 30 30 THR C C 30 175.280 174.344 0.936 1 1 289 . 25 1 1 A 30 30 THR CA C 30 62.260 62.478 -0.218 1 1 290 . 25 1 1 A 30 30 THR CB C 30 69.900 66.724 3.176 1 1 291 . 25 1 1 A 30 30 THR N N 30 115.600 111.996 3.604 1 1 292 . 25 1 1 A 31 31 GLY H H 31 8.401 8.185 0.216 1 1 293 . 25 1 1 A 31 31 GLY HA2 H 31 4.005 3.966 0.039 1 1 294 . 25 1 1 A 31 31 GLY HA3 H 31 4.005 3.978 0.027 1 1 295 . 25 1 1 A 31 31 GLY C C 31 174.160 172.405 1.755 1 1 296 . 25 1 1 A 31 31 GLY CA C 31 45.470 45.909 -0.439 1 1 297 . 25 1 1 A 31 31 GLY N N 31 111.270 109.144 2.126 1 1 298 . 25 1 1 A 32 32 THR H H 32 8.034 8.452 -0.418 1 1 299 . 25 1 1 A 32 32 THR HA H 32 4.319 4.830 -0.511 1 1 304 . 25 1 1 A 32 32 THR C C 32 174.130 173.033 1.097 1 1 305 . 25 1 1 A 32 32 THR CA C 32 61.710 61.348 0.362 1 1 306 . 25 1 1 A 32 32 THR CB C 32 70.150 70.611 -0.461 1 1 307 . 25 1 1 A 32 32 THR N N 32 113.770 119.009 -5.239 1 1 308 . 25 1 1 A 33 33 ALA H H 33 8.410 8.763 -0.353 1 1 309 . 25 1 1 A 33 33 ALA HA H 33 4.581 4.916 -0.335 1 1 313 . 25 1 1 A 33 33 ALA C C 33 175.490 175.607 -0.117 1 1 314 . 25 1 1 A 33 33 ALA CA C 33 50.680 48.981 1.699 1 1 315 . 25 1 1 A 33 33 ALA N N 33 128.320 130.600 -2.280 1 1 316 . 25 1 1 A 34 34 PRO HA H 34 4.389 4.564 -0.175 1 1 321 . 25 1 1 A 34 34 PRO C C 34 176.650 176.053 0.597 1 1 322 . 25 1 1 A 34 34 PRO CA C 34 63.090 62.389 0.701 1 1 323 . 25 1 1 A 34 34 PRO CB C 34 32.210 32.423 -0.213 1 1 324 . 25 1 1 A 35 35 ALA H H 35 8.433 8.333 0.100 1 1 325 . 25 1 1 A 35 35 ALA HA H 35 4.275 4.857 -0.582 1 1 329 . 25 1 1 A 35 35 ALA C C 35 177.730 176.776 0.954 1 1 330 . 25 1 1 A 35 35 ALA CA C 35 52.590 51.048 1.542 1 1 331 . 25 1 1 A 35 35 ALA CB C 35 19.450 20.334 -0.884 1 1 332 . 25 1 1 A 35 35 ALA N N 35 124.330 124.545 -0.215 1 1 333 . 25 1 1 A 36 36 SER H H 36 8.259 9.420 -1.161 1 1 334 . 25 1 1 A 36 36 SER HA H 36 4.474 5.362 -0.888 1 1 337 . 25 1 1 A 36 36 SER C C 36 174.860 172.321 2.539 1 1 338 . 25 1 1 A 36 36 SER CA C 36 58.130 56.348 1.782 1 1 339 . 25 1 1 A 36 36 SER CB C 36 64.190 66.418 -2.228 1 1 340 . 25 1 1 A 36 36 SER N N 36 114.560 118.133 -3.573 1 1 341 . 25 1 1 A 37 37 THR H H 37 8.325 8.786 -0.461 1 1 342 . 25 1 1 A 37 37 THR HA H 37 4.281 5.043 -0.762 1 1 346 . 25 1 1 A 37 37 THR C C 37 175.110 174.556 0.554 1 1 347 . 25 1 1 A 37 37 THR CA C 37 62.260 59.559 2.701 1 1 348 . 25 1 1 A 37 37 THR CB C 37 70.150 72.195 -2.045 1 1 349 . 25 1 1 A 37 37 THR N N 37 115.300 118.004 -2.704 1 1 350 . 25 1 1 A 38 38 GLY H H 38 8.511 9.029 -0.518 1 1 351 . 25 1 1 A 38 38 GLY HA2 H 38 3.975 4.002 -0.027 1 1 352 . 25 1 1 A 38 38 GLY HA3 H 38 3.809 4.008 -0.199 1 1 353 . 25 1 1 A 38 38 GLY C C 38 174.470 175.746 -1.276 1 1 354 . 25 1 1 A 38 38 GLY CA C 38 45.470 45.217 0.253 1 1 355 . 25 1 1 A 38 38 GLY N N 38 110.440 115.687 -5.247 1 1 356 . 25 1 1 A 39 39 ALA H H 39 8.245 8.278 -0.033 1 1 357 . 25 1 1 A 39 39 ALA HA H 39 4.164 4.048 0.116 1 1 361 . 25 1 1 A 39 39 ALA C C 39 177.590 179.384 -1.794 1 1 362 . 25 1 1 A 39 39 ALA CA C 39 52.560 54.812 -2.252 1 1 363 . 25 1 1 A 39 39 ALA CB C 39 19.360 18.618 0.742 1 1 364 . 25 1 1 A 39 39 ALA N N 39 124.080 124.556 -0.476 1 1 365 . 25 1 1 A 40 40 GLU H H 40 8.721 8.259 0.462 1 1 366 . 25 1 1 A 40 40 GLU HA H 40 4.083 4.198 -0.115 1 1 371 . 25 1 1 A 40 40 GLU C C 40 176.320 177.226 -0.906 1 1 372 . 25 1 1 A 40 40 GLU CA C 40 57.910 57.903 0.007 1 1 373 . 25 1 1 A 40 40 GLU CB C 40 29.520 29.495 0.025 1 1 374 . 25 1 1 A 40 40 GLU N N 40 118.270 115.727 2.543 1 1 375 . 25 1 1 A 41 41 ASN H H 41 8.226 7.911 0.315 1 1 376 . 25 1 1 A 41 41 ASN HA H 41 4.716 4.764 -0.048 1 1 381 . 25 1 1 A 41 41 ASN C C 41 174.800 174.843 -0.043 1 1 382 . 25 1 1 A 41 41 ASN CA C 41 52.880 53.864 -0.984 1 1 383 . 25 1 1 A 41 41 ASN CB C 41 38.840 39.221 -0.381 1 1 384 . 25 1 1 A 41 41 ASN N N 41 117.620 117.130 0.490 1 1 386 . 25 1 1 A 42 42 LEU H H 42 7.629 7.944 -0.315 1 1 387 . 25 1 1 A 42 42 LEU HA H 42 4.418 3.955 0.463 1 1 397 . 25 1 1 A 42 42 LEU C C 42 174.610 176.933 -2.323 1 1 398 . 25 1 1 A 42 42 LEU CA C 42 53.170 55.601 -2.431 1 1 399 . 25 1 1 A 42 42 LEU N N 42 123.010 116.467 6.543 1 1 400 . 25 1 1 A 43 43 PRO HA H 43 4.366 4.233 0.133 1 1 407 . 25 1 1 A 43 43 PRO C C 43 177.050 177.687 -0.637 1 1 408 . 25 1 1 A 43 43 PRO CA C 43 62.260 66.201 -3.941 1 1 409 . 25 1 1 A 43 43 PRO CB C 43 32.380 31.166 1.214 1 1 410 . 25 1 1 A 44 44 ALA H H 44 8.552 7.647 0.905 1 1 411 . 25 1 1 A 44 44 ALA HA H 44 4.223 4.363 -0.140 1 1 415 . 25 1 1 A 44 44 ALA C C 44 179.500 178.326 1.174 1 1 416 . 25 1 1 A 44 44 ALA CA C 44 53.250 51.744 1.506 1 1 417 . 25 1 1 A 44 44 ALA CB C 44 18.190 18.987 -0.797 1 1 418 . 25 1 1 A 44 44 ALA N N 44 125.070 118.236 6.834 1 1 419 . 25 1 1 A 45 45 GLY H H 45 8.897 8.727 0.170 1 1 420 . 25 1 1 A 45 45 GLY HA2 H 45 4.214 3.934 0.280 1 1 421 . 25 1 1 A 45 45 GLY HA3 H 45 3.833 3.959 -0.126 1 1 422 . 25 1 1 A 45 45 GLY C C 45 173.720 173.539 0.181 1 1 423 . 25 1 1 A 45 45 GLY CA C 45 45.790 45.370 0.420 1 1 424 . 25 1 1 A 45 45 GLY N N 45 110.600 109.482 1.118 1 1 425 . 25 1 1 A 46 46 SER H H 46 7.690 7.868 -0.178 1 1 426 . 25 1 1 A 46 46 SER HA H 46 5.338 4.996 0.342 1 1 429 . 25 1 1 A 46 46 SER C C 46 172.990 173.055 -0.065 1 1 430 . 25 1 1 A 46 46 SER CA C 46 57.810 57.545 0.265 1 1 431 . 25 1 1 A 46 46 SER CB C 46 66.960 66.323 0.637 1 1 432 . 25 1 1 A 46 46 SER N N 46 114.180 117.550 -3.370 1 1 433 . 25 1 1 A 47 47 ALA H H 47 8.435 8.842 -0.407 1 1 434 . 25 1 1 A 47 47 ALA HA H 47 4.338 5.012 -0.674 1 1 438 . 25 1 1 A 47 47 ALA C C 47 173.840 175.538 -1.698 1 1 439 . 25 1 1 A 47 47 ALA CA C 47 51.690 50.907 0.783 1 1 440 . 25 1 1 A 47 47 ALA CB C 47 24.570 22.637 1.933 1 1 441 . 25 1 1 A 47 47 ALA N N 47 120.900 123.726 -2.826 1 1 442 . 25 1 1 A 48 48 LEU H H 48 8.673 8.166 0.507 1 1 443 . 25 1 1 A 48 48 LEU HA H 48 5.021 5.227 -0.206 1 1 453 . 25 1 1 A 48 48 LEU C C 48 174.680 175.313 -0.633 1 1 454 . 25 1 1 A 48 48 LEU CA C 48 53.350 53.443 -0.093 1 1 455 . 25 1 1 A 48 48 LEU CB C 48 48.150 46.136 2.014 1 1 456 . 25 1 1 A 48 48 LEU N N 48 120.170 117.893 2.277 1 1 457 . 25 1 1 A 49 49 LEU H H 49 8.686 9.066 -0.380 1 1 458 . 25 1 1 A 49 49 LEU HA H 49 5.403 5.449 -0.046 1 1 468 . 25 1 1 A 49 49 LEU C C 49 176.170 174.879 1.291 1 1 469 . 25 1 1 A 49 49 LEU CA C 49 52.810 53.133 -0.323 1 1 470 . 25 1 1 A 49 49 LEU CB C 49 46.310 45.150 1.160 1 1 471 . 25 1 1 A 49 49 LEU N N 49 120.170 119.472 0.698 1 1 472 . 25 1 1 A 50 50 VAL H H 50 8.874 9.374 -0.500 1 1 473 . 25 1 1 A 50 50 VAL HA H 50 4.971 4.959 0.012 1 1 481 . 25 1 1 A 50 50 VAL C C 50 176.740 174.857 1.883 1 1 482 . 25 1 1 A 50 50 VAL CA C 50 59.940 59.979 -0.039 1 1 483 . 25 1 1 A 50 50 VAL CB C 50 34.970 34.202 0.768 1 1 484 . 25 1 1 A 50 50 VAL N N 50 120.580 121.618 -1.038 1 1 485 . 25 1 1 A 51 51 VAL H H 51 8.984 9.150 -0.166 1 1 486 . 25 1 1 A 51 51 VAL HA H 51 4.155 4.054 0.101 1 1 494 . 25 1 1 A 51 51 VAL C C 51 176.050 176.131 -0.081 1 1 495 . 25 1 1 A 51 51 VAL CA C 51 64.280 63.449 0.831 1 1 496 . 25 1 1 A 51 51 VAL CB C 51 31.280 31.281 -0.001 1 1 497 . 25 1 1 A 51 51 VAL N N 51 125.710 128.250 -2.540 1 1 498 . 25 1 1 A 52 52 LYS H H 52 9.444 9.168 0.276 1 1 499 . 25 1 1 A 52 52 LYS HA H 52 4.450 4.337 0.113 1 1 506 . 25 1 1 A 52 52 LYS C C 52 176.150 175.770 0.380 1 1 507 . 25 1 1 A 52 52 LYS CA C 52 57.050 57.465 -0.415 1 1 508 . 25 1 1 A 52 52 LYS CB C 52 34.470 33.906 0.564 1 1 509 . 25 1 1 A 52 52 LYS N N 52 132.750 129.933 2.817 1 1 510 . 25 1 1 A 53 53 ARG H H 53 8.051 7.476 0.575 1 1 511 . 25 1 1 A 53 53 ARG HA H 53 4.685 4.839 -0.154 1 1 516 . 25 1 1 A 53 53 ARG C C 53 173.470 174.769 -1.299 1 1 517 . 25 1 1 A 53 53 ARG CA C 53 55.090 55.224 -0.134 1 1 518 . 25 1 1 A 53 53 ARG CB C 53 34.300 34.147 0.153 1 1 519 . 25 1 1 A 53 53 ARG N N 53 117.320 118.721 -1.401 1 1 520 . 25 1 1 A 54 54 GLY H H 54 8.377 8.466 -0.089 1 1 521 . 25 1 1 A 54 54 GLY HA2 H 54 4.215 3.910 0.305 1 1 522 . 25 1 1 A 54 54 GLY HA3 H 54 3.503 4.036 -0.533 1 1 523 . 25 1 1 A 54 54 GLY C C 54 171.870 174.334 -2.464 1 1 524 . 25 1 1 A 54 54 GLY CA C 54 43.770 44.215 -0.445 1 1 525 . 25 1 1 A 54 54 GLY N N 54 110.960 112.079 -1.119 1 1 526 . 25 1 1 A 55 55 PRO HA H 55 4.255 4.278 -0.023 1 1 531 . 25 1 1 A 55 55 PRO C C 55 175.940 177.444 -1.504 1 1 532 . 25 1 1 A 55 55 PRO CA C 55 64.390 64.731 -0.341 1 1 533 . 25 1 1 A 55 55 PRO CB C 55 31.360 31.838 -0.478 1 1 534 . 25 1 1 A 56 56 ASN H H 56 8.202 8.389 -0.187 1 1 535 . 25 1 1 A 56 56 ASN HA H 56 4.685 4.803 -0.118 1 1 540 . 25 1 1 A 56 56 ASN C C 56 174.410 175.462 -1.052 1 1 541 . 25 1 1 A 56 56 ASN CA C 56 52.120 52.415 -0.295 1 1 542 . 25 1 1 A 56 56 ASN CB C 56 37.070 37.770 -0.700 1 1 543 . 25 1 1 A 56 56 ASN N N 56 114.760 113.670 1.090 1 1 545 . 25 1 1 A 57 57 ALA H H 57 7.283 7.430 -0.147 1 1 546 . 25 1 1 A 57 57 ALA HA H 57 3.618 4.120 -0.502 1 1 550 . 25 1 1 A 57 57 ALA C C 57 178.090 178.396 -0.306 1 1 551 . 25 1 1 A 57 57 ALA CA C 57 54.480 53.623 0.857 1 1 552 . 25 1 1 A 57 57 ALA CB C 57 17.760 18.941 -1.181 1 1 553 . 25 1 1 A 57 57 ALA N N 57 120.380 124.179 -3.799 1 1 554 . 25 1 1 A 58 58 GLY H H 58 9.052 9.307 -0.255 1 1 555 . 25 1 1 A 58 58 GLY HA2 H 58 4.449 4.009 0.440 1 1 556 . 25 1 1 A 58 58 GLY HA3 H 58 3.415 4.010 -0.595 1 1 557 . 25 1 1 A 58 58 GLY C C 58 174.610 174.071 0.539 1 1 558 . 25 1 1 A 58 58 GLY CA C 58 44.530 44.922 -0.392 1 1 559 . 25 1 1 A 58 58 GLY N N 58 112.180 110.473 1.707 1 1 560 . 25 1 1 A 59 59 ALA H H 59 8.171 7.438 0.733 1 1 561 . 25 1 1 A 59 59 ALA HA H 59 4.081 4.206 -0.125 1 1 565 . 25 1 1 A 59 59 ALA C C 59 175.220 177.064 -1.844 1 1 566 . 25 1 1 A 59 59 ALA CA C 59 53.170 51.429 1.741 1 1 567 . 25 1 1 A 59 59 ALA CB C 59 19.360 19.875 -0.515 1 1 568 . 25 1 1 A 59 59 ALA N N 59 124.650 123.599 1.051 1 1 569 . 25 1 1 A 60 60 ARG H H 60 7.751 8.685 -0.934 1 1 570 . 25 1 1 A 60 60 ARG HA H 60 5.105 5.159 -0.054 1 1 575 . 25 1 1 A 60 60 ARG C C 60 175.320 174.825 0.495 1 1 576 . 25 1 1 A 60 60 ARG CA C 60 54.150 54.630 -0.480 1 1 577 . 25 1 1 A 60 60 ARG CB C 60 34.130 32.909 1.221 1 1 578 . 25 1 1 A 60 60 ARG N N 60 116.920 120.279 -3.359 1 1 579 . 25 1 1 A 61 61 PHE H H 61 9.213 9.536 -0.323 1 1 580 . 25 1 1 A 61 61 PHE HA H 61 4.788 5.192 -0.404 1 1 587 . 25 1 1 A 61 61 PHE C C 61 173.930 175.353 -1.423 1 1 588 . 25 1 1 A 61 61 PHE CA C 61 56.500 56.144 0.356 1 1 589 . 25 1 1 A 61 61 PHE CB C 61 41.860 41.793 0.067 1 1 590 . 25 1 1 A 61 61 PHE N N 61 121.090 120.937 0.153 1 1 591 . 25 1 1 A 62 62 LEU H H 62 8.638 8.818 -0.180 1 1 592 . 25 1 1 A 62 62 LEU HA H 62 4.566 5.057 -0.491 1 1 602 . 25 1 1 A 62 62 LEU C C 62 176.570 176.739 -0.169 1 1 603 . 25 1 1 A 62 62 LEU CA C 62 55.130 53.340 1.790 1 1 604 . 25 1 1 A 62 62 LEU CB C 62 43.620 43.438 0.182 1 1 605 . 25 1 1 A 62 62 LEU N N 62 125.630 121.559 4.071 1 1 606 . 25 1 1 A 63 63 LEU H H 63 8.929 8.977 -0.048 1 1 607 . 25 1 1 A 63 63 LEU HA H 63 4.852 4.502 0.350 1 1 617 . 25 1 1 A 63 63 LEU C C 63 175.070 176.607 -1.537 1 1 618 . 25 1 1 A 63 63 LEU CA C 63 53.170 55.069 -1.899 1 1 619 . 25 1 1 A 63 63 LEU CB C 63 42.110 41.509 0.601 1 1 620 . 25 1 1 A 63 63 LEU N N 63 125.980 123.646 2.334 1 1 621 . 25 1 1 A 64 64 ASP H H 64 8.601 9.219 -0.618 1 1 622 . 25 1 1 A 64 64 ASP HA H 64 4.736 4.924 -0.188 1 1 625 . 25 1 1 A 64 64 ASP C C 64 175.130 175.722 -0.592 1 1 626 . 25 1 1 A 64 64 ASP CA C 64 53.640 55.161 -1.521 1 1 627 . 25 1 1 A 64 64 ASP CB C 64 41.020 43.838 -2.818 1 1 628 . 25 1 1 A 64 64 ASP N N 64 120.910 125.666 -4.756 1 1 629 . 25 1 1 A 65 65 GLN H H 65 7.497 7.683 -0.186 1 1 630 . 25 1 1 A 65 65 GLN HA H 65 4.856 4.797 0.059 1 1 637 . 25 1 1 A 65 65 GLN C C 65 173.550 175.395 -1.845 1 1 638 . 25 1 1 A 65 65 GLN CA C 65 52.780 53.035 -0.255 1 1 639 . 25 1 1 A 65 65 GLN N N 65 117.420 114.704 2.716 1 1 641 . 25 1 1 A 66 66 PRO HA H 66 4.190 4.357 -0.167 1 1 648 . 25 1 1 A 66 66 PRO C C 66 177.400 176.707 0.693 1 1 649 . 25 1 1 A 66 66 PRO CA C 66 66.810 64.912 1.898 1 1 650 . 25 1 1 A 66 66 PRO CB C 66 32.370 32.054 0.316 1 1 651 . 25 1 1 A 67 67 THR H H 67 7.647 7.531 0.116 1 1 652 . 25 1 1 A 67 67 THR HA H 67 4.811 5.108 -0.297 1 1 657 . 25 1 1 A 67 67 THR C C 67 173.280 173.249 0.031 1 1 658 . 25 1 1 A 67 67 THR CA C 67 62.830 61.225 1.605 1 1 659 . 25 1 1 A 67 67 THR CB C 67 71.740 71.261 0.479 1 1 660 . 25 1 1 A 67 67 THR N N 67 109.270 112.463 -3.193 1 1 661 . 25 1 1 A 68 68 THR H H 68 8.919 9.465 -0.546 1 1 662 . 25 1 1 A 68 68 THR HA H 68 4.968 4.976 -0.008 1 1 667 . 25 1 1 A 68 68 THR C C 68 175.090 174.167 0.923 1 1 668 . 25 1 1 A 68 68 THR CA C 68 61.820 62.069 -0.249 1 1 669 . 25 1 1 A 68 68 THR CB C 68 70.730 69.849 0.881 1 1 670 . 25 1 1 A 68 68 THR N N 68 125.610 123.420 2.190 1 1 671 . 25 1 1 A 69 69 THR H H 69 10.398 8.740 1.658 1 1 672 . 25 1 1 A 69 69 THR HA H 69 4.491 4.799 -0.308 1 1 677 . 25 1 1 A 69 69 THR C C 69 173.140 173.959 -0.819 1 1 678 . 25 1 1 A 69 69 THR CA C 69 61.790 60.848 0.942 1 1 679 . 25 1 1 A 69 69 THR CB C 69 70.820 70.162 0.658 1 1 680 . 25 1 1 A 69 69 THR N N 69 121.520 119.305 2.215 1 1 681 . 25 1 1 A 70 70 ALA H H 70 8.722 8.852 -0.130 1 1 682 . 25 1 1 A 70 70 ALA HA H 70 5.696 5.264 0.432 1 1 686 . 25 1 1 A 70 70 ALA C C 70 175.840 175.904 -0.064 1 1 687 . 25 1 1 A 70 70 ALA CA C 70 50.030 50.248 -0.218 1 1 688 . 25 1 1 A 70 70 ALA CB C 70 22.300 22.224 0.076 1 1 689 . 25 1 1 A 70 70 ALA N N 70 122.410 125.881 -3.471 1 1 690 . 25 1 1 A 71 71 GLY H H 71 8.430 8.206 0.224 1 1 691 . 25 1 1 A 71 71 GLY HA2 H 71 4.474 4.183 0.291 1 1 692 . 25 1 1 A 71 71 GLY HA3 H 71 3.903 4.208 -0.305 1 1 693 . 25 1 1 A 71 71 GLY C C 71 170.540 171.241 -0.701 1 1 694 . 25 1 1 A 71 71 GLY CA C 71 46.300 44.843 1.457 1 1 695 . 25 1 1 A 71 71 GLY N N 71 108.960 107.984 0.976 1 1 696 . 25 1 1 A 72 72 ARG H H 72 8.341 8.524 -0.183 1 1 697 . 25 1 1 A 72 72 ARG HA H 72 4.481 5.044 -0.563 1 1 702 . 25 1 1 A 72 72 ARG C C 72 175.720 175.023 0.697 1 1 703 . 25 1 1 A 72 72 ARG CA C 72 54.800 55.104 -0.304 1 1 704 . 25 1 1 A 72 72 ARG CB C 72 32.540 32.598 -0.058 1 1 705 . 25 1 1 A 72 72 ARG N N 72 120.930 121.136 -0.206 1 1 706 . 25 1 1 A 73 73 HIS H H 73 9.295 8.610 0.685 1 1 707 . 25 1 1 A 73 73 HIS HA H 73 4.403 4.977 -0.574 1 1 712 . 25 1 1 A 73 73 HIS C C 73 176.860 174.199 2.661 1 1 713 . 25 1 1 A 73 73 HIS CA C 73 57.050 55.292 1.758 1 1 714 . 25 1 1 A 73 73 HIS N N 73 125.290 124.152 1.138 1 1 715 . 25 1 1 A 74 74 PRO HA H 74 4.373 4.458 -0.085 1 1 722 . 25 1 1 A 74 74 PRO C C 74 177.590 177.397 0.193 1 1 723 . 25 1 1 A 74 74 PRO CA C 74 64.930 64.362 0.568 1 1 724 . 25 1 1 A 74 74 PRO CB C 74 32.030 31.746 0.284 1 1 725 . 25 1 1 A 75 75 GLU H H 75 10.575 8.108 2.467 1 1 726 . 25 1 1 A 75 75 GLU HA H 75 4.352 4.408 -0.056 1 1 731 . 25 1 1 A 75 75 GLU C C 75 177.320 176.293 1.027 1 1 732 . 25 1 1 A 75 75 GLU CA C 75 56.070 56.347 -0.277 1 1 733 . 25 1 1 A 75 75 GLU CB C 75 29.010 30.124 -1.114 1 1 734 . 25 1 1 A 75 75 GLU N N 75 119.840 117.146 2.694 1 1 735 . 25 1 1 A 76 76 SER H H 76 8.236 7.769 0.467 1 1 736 . 25 1 1 A 76 76 SER HA H 76 4.100 4.979 -0.879 1 1 739 . 25 1 1 A 76 76 SER C C 76 173.120 174.583 -1.463 1 1 740 . 25 1 1 A 76 76 SER CA C 76 60.160 57.642 2.518 1 1 741 . 25 1 1 A 76 76 SER CB C 76 65.530 64.603 0.927 1 1 742 . 25 1 1 A 76 76 SER N N 76 118.860 114.604 4.256 1 1 743 . 25 1 1 A 77 77 ASP H H 77 8.541 8.776 -0.235 1 1 744 . 25 1 1 A 77 77 ASP HA H 77 4.344 4.491 -0.147 1 1 747 . 25 1 1 A 77 77 ASP C C 77 177.590 176.077 1.513 1 1 748 . 25 1 1 A 77 77 ASP CA C 77 58.380 56.645 1.735 1 1 749 . 25 1 1 A 77 77 ASP CB C 77 42.110 41.334 0.776 1 1 750 . 25 1 1 A 77 77 ASP N N 77 126.720 122.709 4.011 1 1 751 . 25 1 1 A 78 78 ILE H H 78 8.571 7.185 1.386 1 1 752 . 25 1 1 A 78 78 ILE HA H 78 3.563 4.252 -0.689 1 1 762 . 25 1 1 A 78 78 ILE C C 78 172.930 174.317 -1.387 1 1 763 . 25 1 1 A 78 78 ILE CA C 78 60.880 59.559 1.321 1 1 764 . 25 1 1 A 78 78 ILE CB C 78 37.410 39.632 -2.222 1 1 765 . 25 1 1 A 78 78 ILE N N 78 120.210 114.574 5.636 1 1 766 . 25 1 1 A 79 79 PHE H H 79 8.018 8.714 -0.696 1 1 767 . 25 1 1 A 79 79 PHE HA H 79 5.018 5.044 -0.026 1 1 775 . 25 1 1 A 79 79 PHE C C 79 174.130 173.951 0.179 1 1 776 . 25 1 1 A 79 79 PHE CA C 79 55.780 56.150 -0.370 1 1 777 . 25 1 1 A 79 79 PHE CB C 79 39.170 40.535 -1.365 1 1 778 . 25 1 1 A 79 79 PHE N N 79 127.300 126.589 0.711 1 1 779 . 25 1 1 A 80 80 LEU H H 80 7.695 8.353 -0.658 1 1 780 . 25 1 1 A 80 80 LEU HA H 80 3.619 4.887 -1.268 1 1 790 . 25 1 1 A 80 80 LEU C C 80 173.720 174.551 -0.831 1 1 791 . 25 1 1 A 80 80 LEU CA C 80 52.340 53.340 -1.000 1 1 792 . 25 1 1 A 80 80 LEU CB C 80 41.770 45.669 -3.899 1 1 793 . 25 1 1 A 80 80 LEU N N 80 131.810 128.226 3.584 1 1 794 . 25 1 1 A 81 81 ASP H H 81 7.974 8.499 -0.525 1 1 795 . 25 1 1 A 81 81 ASP HA H 81 4.141 4.751 -0.610 1 1 798 . 25 1 1 A 81 81 ASP C C 81 175.130 174.182 0.948 1 1 799 . 25 1 1 A 81 81 ASP CA C 81 53.210 52.639 0.571 1 1 800 . 25 1 1 A 81 81 ASP CB C 81 39.930 42.500 -2.570 1 1 801 . 25 1 1 A 81 81 ASP N N 81 121.130 123.843 -2.713 1 1 802 . 25 1 1 A 82 82 ASP H H 82 7.583 8.529 -0.946 1 1 803 . 25 1 1 A 82 82 ASP HA H 82 4.859 5.027 -0.168 1 1 806 . 25 1 1 A 82 82 ASP C C 82 176.760 176.289 0.471 1 1 807 . 25 1 1 A 82 82 ASP CA C 82 54.980 52.252 2.728 1 1 808 . 25 1 1 A 82 82 ASP CB C 82 39.170 43.510 -4.340 1 1 809 . 25 1 1 A 82 82 ASP N N 82 121.540 126.602 -5.062 1 1 810 . 25 1 1 A 83 83 VAL H H 83 8.344 8.457 -0.113 1 1 811 . 25 1 1 A 83 83 VAL HA H 83 4.012 4.069 -0.057 1 1 819 . 25 1 1 A 83 83 VAL C C 83 174.860 175.771 -0.911 1 1 820 . 25 1 1 A 83 83 VAL CA C 83 65.330 63.915 1.415 1 1 821 . 25 1 1 A 83 83 VAL CB C 83 31.530 32.537 -1.007 1 1 822 . 25 1 1 A 83 83 VAL N N 83 122.260 120.636 1.624 1 1 823 . 25 1 1 A 84 84 THR H H 84 8.268 8.165 0.103 1 1 824 . 25 1 1 A 84 84 THR HA H 84 4.540 4.684 -0.144 1 1 828 . 25 1 1 A 84 84 THR C C 84 175.360 172.716 2.644 1 1 829 . 25 1 1 A 84 84 THR CA C 84 63.810 59.421 4.389 1 1 830 . 25 1 1 A 84 84 THR CB C 84 70.900 71.046 -0.146 1 1 831 . 25 1 1 A 84 84 THR N N 84 110.620 113.187 -2.567 1 1 832 . 25 1 1 A 85 85 VAL H H 85 8.579 8.613 -0.034 1 1 833 . 25 1 1 A 85 85 VAL HA H 85 4.254 4.473 -0.219 1 1 841 . 25 1 1 A 85 85 VAL C C 85 177.070 175.016 2.054 1 1 842 . 25 1 1 A 85 85 VAL CA C 85 61.930 61.602 0.328 1 1 843 . 25 1 1 A 85 85 VAL CB C 85 32.450 31.472 0.978 1 1 844 . 25 1 1 A 85 85 VAL N N 85 126.860 123.325 3.535 1 1 845 . 25 1 1 A 86 86 SER H H 86 11.668 9.340 2.328 1 1 846 . 25 1 1 A 86 86 SER HA H 86 5.203 4.553 0.650 1 1 849 . 25 1 1 A 86 86 SER C C 86 175.470 175.165 0.305 1 1 850 . 25 1 1 A 86 86 SER CA C 86 61.600 57.187 4.413 1 1 851 . 25 1 1 A 86 86 SER CB C 86 64.270 60.877 3.393 1 1 852 . 25 1 1 A 86 86 SER N N 86 128.670 126.213 2.457 1 1 853 . 25 1 1 A 87 87 ARG H H 87 10.946 7.956 2.990 1 1 854 . 25 1 1 A 87 87 ARG HA H 87 5.179 3.559 1.620 1 1 862 . 25 1 1 A 87 87 ARG C C 87 177.110 176.386 0.724 1 1 863 . 25 1 1 A 87 87 ARG CA C 87 60.810 58.773 2.037 1 1 864 . 25 1 1 A 87 87 ARG CB C 87 29.010 29.439 -0.429 1 1 865 . 25 1 1 A 87 87 ARG N N 87 126.810 121.776 5.034 1 1 867 . 25 1 1 A 88 88 ARG H H 88 7.946 7.806 0.140 1 1 868 . 25 1 1 A 88 88 ARG HA H 88 4.459 4.517 -0.058 1 1 876 . 25 1 1 A 88 88 ARG C C 88 172.990 175.952 -2.962 1 1 877 . 25 1 1 A 88 88 ARG CA C 88 55.060 54.895 0.165 1 1 878 . 25 1 1 A 88 88 ARG CB C 88 29.770 30.494 -0.724 1 1 879 . 25 1 1 A 88 88 ARG N N 88 115.670 118.725 -3.055 1 1 881 . 25 1 1 A 89 89 HIS H H 89 7.613 8.708 -1.095 1 1 882 . 25 1 1 A 89 89 HIS HA H 89 4.437 4.523 -0.086 1 1 888 . 25 1 1 A 89 89 HIS C C 89 174.050 174.945 -0.895 1 1 889 . 25 1 1 A 89 89 HIS CA C 89 58.420 58.113 0.307 1 1 890 . 25 1 1 A 89 89 HIS CB C 89 32.620 31.746 0.874 1 1 891 . 25 1 1 A 89 89 HIS N N 89 124.000 123.303 0.697 1 1 893 . 25 1 1 A 90 90 ALA H H 90 8.454 7.096 1.358 1 1 894 . 25 1 1 A 90 90 ALA HA H 90 5.529 4.432 1.097 1 1 898 . 25 1 1 A 90 90 ALA C C 90 176.260 174.812 1.448 1 1 899 . 25 1 1 A 90 90 ALA CA C 90 50.240 51.178 -0.938 1 1 900 . 25 1 1 A 90 90 ALA CB C 90 23.220 22.626 0.594 1 1 901 . 25 1 1 A 90 90 ALA N N 90 116.480 117.874 -1.394 1 1 902 . 25 1 1 A 91 91 GLU H H 91 9.216 8.885 0.331 1 1 903 . 25 1 1 A 91 91 GLU HA H 91 4.931 4.931 0.000 1 1 908 . 25 1 1 A 91 91 GLU C C 91 173.910 173.925 -0.015 1 1 909 . 25 1 1 A 91 91 GLU CA C 91 54.690 54.360 0.330 1 1 910 . 25 1 1 A 91 91 GLU CB C 91 34.720 33.430 1.290 1 1 911 . 25 1 1 A 91 91 GLU N N 91 118.140 116.283 1.857 1 1 912 . 25 1 1 A 92 92 PHE H H 92 9.330 9.191 0.139 1 1 913 . 25 1 1 A 92 92 PHE HA H 92 5.502 5.289 0.213 1 1 921 . 25 1 1 A 92 92 PHE C C 92 176.650 174.384 2.266 1 1 922 . 25 1 1 A 92 92 PHE CA C 92 56.760 56.910 -0.150 1 1 923 . 25 1 1 A 92 92 PHE CB C 92 41.690 40.666 1.024 1 1 924 . 25 1 1 A 92 92 PHE N N 92 119.490 121.087 -1.597 1 1 925 . 25 1 1 A 93 93 ARG H H 93 9.846 9.504 0.342 1 1 926 . 25 1 1 A 93 93 ARG HA H 93 5.610 5.150 0.460 1 1 934 . 25 1 1 A 93 93 ARG C C 93 175.010 174.850 0.160 1 1 935 . 25 1 1 A 93 93 ARG CA C 93 54.580 54.654 -0.074 1 1 936 . 25 1 1 A 93 93 ARG CB C 93 34.220 33.084 1.136 1 1 937 . 25 1 1 A 93 93 ARG N N 93 127.300 125.138 2.162 1 1 939 . 25 1 1 A 94 94 ILE H H 94 8.521 9.431 -0.910 1 1 940 . 25 1 1 A 94 94 ILE HA H 94 4.410 5.230 -0.820 1 1 950 . 25 1 1 A 94 94 ILE C C 94 176.420 174.607 1.813 1 1 951 . 25 1 1 A 94 94 ILE CA C 94 61.130 60.245 0.885 1 1 952 . 25 1 1 A 94 94 ILE CB C 94 38.830 40.602 -1.772 1 1 953 . 25 1 1 A 94 94 ILE N N 94 121.680 126.559 -4.879 1 1 954 . 25 1 1 A 95 95 ASN H H 95 8.847 8.748 0.099 1 1 955 . 25 1 1 A 95 95 ASN HA H 95 4.796 5.402 -0.606 1 1 960 . 25 1 1 A 95 95 ASN C C 95 174.430 174.138 0.292 1 1 961 . 25 1 1 A 95 95 ASN CA C 95 52.560 51.327 1.233 1 1 962 . 25 1 1 A 95 95 ASN CB C 95 40.510 41.102 -0.592 1 1 963 . 25 1 1 A 95 95 ASN N N 95 127.100 123.912 3.188 1 1 965 . 25 1 1 A 96 96 GLU H H 96 9.303 9.432 -0.129 1 1 966 . 25 1 1 A 96 96 GLU HA H 96 3.768 4.007 -0.239 1 1 971 . 25 1 1 A 96 96 GLU C C 96 176.280 176.459 -0.179 1 1 972 . 25 1 1 A 96 96 GLU CA C 96 57.150 57.534 -0.384 1 1 973 . 25 1 1 A 96 96 GLU CB C 96 27.590 27.930 -0.340 1 1 974 . 25 1 1 A 96 96 GLU N N 96 125.150 121.182 3.968 1 1 975 . 25 1 1 A 97 97 GLY H H 97 7.937 8.348 -0.411 1 1 976 . 25 1 1 A 97 97 GLY HA2 H 97 4.042 3.567 0.475 1 1 977 . 25 1 1 A 97 97 GLY HA3 H 97 3.450 3.758 -0.308 1 1 978 . 25 1 1 A 97 97 GLY C C 97 172.990 173.479 -0.489 1 1 979 . 25 1 1 A 97 97 GLY CA C 97 45.390 45.173 0.217 1 1 980 . 25 1 1 A 97 97 GLY N N 97 104.330 104.472 -0.142 1 1 981 . 25 1 1 A 98 98 GLU H H 98 7.557 7.904 -0.347 1 1 982 . 25 1 1 A 98 98 GLU HA H 98 4.591 4.557 0.034 1 1 987 . 25 1 1 A 98 98 GLU C C 98 174.530 175.358 -0.828 1 1 988 . 25 1 1 A 98 98 GLU CA C 98 54.770 55.499 -0.729 1 1 989 . 25 1 1 A 98 98 GLU CB C 98 32.290 31.119 1.171 1 1 990 . 25 1 1 A 98 98 GLU N N 98 119.350 120.027 -0.677 1 1 991 . 25 1 1 A 99 99 PHE H H 99 9.412 9.069 0.343 1 1 992 . 25 1 1 A 99 99 PHE HA H 99 5.007 5.089 -0.082 1 1 999 . 25 1 1 A 99 99 PHE C C 99 174.050 175.210 -1.160 1 1 1000 . 25 1 1 A 99 99 PHE CA C 99 57.260 56.499 0.761 1 1 1001 . 25 1 1 A 99 99 PHE CB C 99 42.110 41.220 0.890 1 1 1002 . 25 1 1 A 99 99 PHE N N 99 122.550 122.460 0.090 1 1 1003 . 25 1 1 A 100 100 GLU H H 100 9.444 9.745 -0.301 1 1 1004 . 25 1 1 A 100 100 GLU HA H 100 5.145 5.060 0.085 1 1 1009 . 25 1 1 A 100 100 GLU C C 100 175.340 174.662 0.678 1 1 1010 . 25 1 1 A 100 100 GLU CA C 100 54.080 54.690 -0.610 1 1 1011 . 25 1 1 A 100 100 GLU CB C 100 34.720 33.603 1.117 1 1 1012 . 25 1 1 A 100 100 GLU N N 100 124.080 120.580 3.500 1 1 1013 . 25 1 1 A 101 101 VAL H H 101 8.726 9.149 -0.423 1 1 1014 . 25 1 1 A 101 101 VAL HA H 101 4.900 4.856 0.044 1 1 1022 . 25 1 1 A 101 101 VAL C C 101 172.510 175.300 -2.790 1 1 1023 . 25 1 1 A 101 101 VAL CA C 101 58.710 61.796 -3.086 1 1 1024 . 25 1 1 A 101 101 VAL CB C 101 33.550 33.083 0.467 1 1 1025 . 25 1 1 A 101 101 VAL N N 101 124.500 123.497 1.003 1 1 1026 . 25 1 1 A 102 102 VAL H H 102 8.719 9.452 -0.733 1 1 1027 . 25 1 1 A 102 102 VAL HA H 102 4.578 4.568 0.010 1 1 1035 . 25 1 1 A 102 102 VAL C C 102 175.380 174.554 0.826 1 1 1036 . 25 1 1 A 102 102 VAL CA C 102 60.370 60.645 -0.275 1 1 1037 . 25 1 1 A 102 102 VAL CB C 102 36.060 34.578 1.482 1 1 1038 . 25 1 1 A 102 102 VAL N N 102 125.900 127.950 -2.050 1 1 1039 . 25 1 1 A 103 103 ASP H H 103 8.626 9.136 -0.510 1 1 1040 . 25 1 1 A 103 103 ASP HA H 103 4.856 4.589 0.267 1 1 1043 . 25 1 1 A 103 103 ASP C C 103 177.300 176.896 0.404 1 1 1044 . 25 1 1 A 103 103 ASP CA C 103 54.580 54.068 0.512 1 1 1045 . 25 1 1 A 103 103 ASP CB C 103 44.210 41.565 2.645 1 1 1046 . 25 1 1 A 103 103 ASP N N 103 127.250 127.586 -0.336 1 1 1047 . 25 1 1 A 104 104 VAL H H 104 7.890 8.547 -0.657 1 1 1048 . 25 1 1 A 104 104 VAL HA H 104 4.527 4.508 0.019 1 1 1056 . 25 1 1 A 104 104 VAL C C 104 174.490 176.570 -2.080 1 1 1057 . 25 1 1 A 104 104 VAL CA C 104 60.630 60.625 0.005 1 1 1058 . 25 1 1 A 104 104 VAL CB C 104 29.350 32.191 -2.841 1 1 1059 . 25 1 1 A 104 104 VAL N N 104 119.270 120.640 -1.370 1 1 1060 . 25 1 1 A 105 105 GLY H H 105 8.690 7.779 0.911 1 1 1061 . 25 1 1 A 105 105 GLY HA2 H 105 4.270 3.995 0.275 1 1 1062 . 25 1 1 A 105 105 GLY HA3 H 105 3.685 4.015 -0.330 1 1 1063 . 25 1 1 A 105 105 GLY C C 105 175.490 175.113 0.377 1 1 1064 . 25 1 1 A 105 105 GLY CA C 105 45.650 45.575 0.075 1 1 1065 . 25 1 1 A 105 105 GLY N N 105 111.790 110.371 1.419 1 1 1066 . 25 1 1 A 106 106 SER H H 106 9.218 8.192 1.026 1 1 1067 . 25 1 1 A 106 106 SER HA H 106 3.894 4.573 -0.679 1 1 1070 . 25 1 1 A 106 106 SER C C 106 174.590 174.215 0.375 1 1 1071 . 25 1 1 A 106 106 SER CA C 106 58.600 59.461 -0.861 1 1 1072 . 25 1 1 A 106 106 SER CB C 106 61.250 61.389 -0.139 1 1 1073 . 25 1 1 A 106 106 SER N N 106 121.540 111.098 10.442 1 1 1074 . 25 1 1 A 107 107 LEU H H 107 8.018 7.977 0.041 1 1 1075 . 25 1 1 A 107 107 LEU HA H 107 4.240 3.949 0.291 1 1 1085 . 25 1 1 A 107 107 LEU C C 107 179.420 177.969 1.451 1 1 1086 . 25 1 1 A 107 107 LEU CA C 107 57.590 57.852 -0.262 1 1 1087 . 25 1 1 A 107 107 LEU CB C 107 42.360 41.934 0.426 1 1 1088 . 25 1 1 A 107 107 LEU N N 107 121.520 121.371 0.149 1 1 1089 . 25 1 1 A 108 108 ASN H H 108 8.799 6.991 1.808 1 1 1090 . 25 1 1 A 108 108 ASN HA H 108 4.986 4.743 0.243 1 1 1093 . 25 1 1 A 108 108 ASN C C 108 175.950 175.560 0.390 1 1 1094 . 25 1 1 A 108 108 ASN CA C 108 54.440 52.974 1.466 1 1 1095 . 25 1 1 A 108 108 ASN CB C 108 41.180 39.090 2.090 1 1 1096 . 25 1 1 A 108 108 ASN N N 108 111.800 114.247 -2.447 1 1 1097 . 25 1 1 A 109 109 GLY H H 109 8.025 7.472 0.553 1 1 1098 . 25 1 1 A 109 109 GLY HA2 H 109 4.237 4.004 0.233 1 1 1099 . 25 1 1 A 109 109 GLY HA3 H 109 3.621 4.021 -0.400 1 1 1100 . 25 1 1 A 109 109 GLY C C 109 173.820 173.854 -0.034 1 1 1101 . 25 1 1 A 109 109 GLY CA C 109 44.340 45.056 -0.716 1 1 1102 . 25 1 1 A 109 109 GLY N N 109 110.600 106.634 3.966 1 1 1103 . 25 1 1 A 110 110 THR H H 110 8.770 8.761 0.009 1 1 1104 . 25 1 1 A 110 110 THR HA H 110 4.797 4.584 0.213 1 1 1109 . 25 1 1 A 110 110 THR C C 110 172.570 173.602 -1.032 1 1 1110 . 25 1 1 A 110 110 THR CA C 110 64.540 63.179 1.361 1 1 1111 . 25 1 1 A 110 110 THR CB C 110 70.230 69.286 0.944 1 1 1112 . 25 1 1 A 110 110 THR N N 110 121.240 119.365 1.875 1 1 1113 . 25 1 1 A 111 111 TYR H H 111 8.272 9.527 -1.255 1 1 1114 . 25 1 1 A 111 111 TYR HA H 111 5.155 5.729 -0.574 1 1 1121 . 25 1 1 A 111 111 TYR C C 111 175.860 174.842 1.018 1 1 1122 . 25 1 1 A 111 111 TYR CA C 111 55.820 56.629 -0.809 1 1 1123 . 25 1 1 A 111 111 TYR CB C 111 41.100 40.665 0.435 1 1 1124 . 25 1 1 A 111 111 TYR N N 111 123.680 126.235 -2.555 1 1 1125 . 25 1 1 A 112 112 VAL H H 112 9.017 9.236 -0.219 1 1 1126 . 25 1 1 A 112 112 VAL HA H 112 4.951 4.586 0.365 1 1 1134 . 25 1 1 A 112 112 VAL C C 112 176.780 176.368 0.412 1 1 1135 . 25 1 1 A 112 112 VAL CA C 112 61.130 61.139 -0.009 1 1 1136 . 25 1 1 A 112 112 VAL CB C 112 32.870 34.147 -1.277 1 1 1137 . 25 1 1 A 112 112 VAL N N 112 121.300 123.570 -2.270 1 1 1138 . 25 1 1 A 113 113 ASN H H 113 10.285 9.723 0.562 1 1 1139 . 25 1 1 A 113 113 ASN HA H 113 4.483 4.348 0.135 1 1 1144 . 25 1 1 A 113 113 ASN C C 113 174.590 174.316 0.274 1 1 1145 . 25 1 1 A 113 113 ASN CA C 113 55.160 54.463 0.697 1 1 1146 . 25 1 1 A 113 113 ASN CB C 113 37.240 37.122 0.118 1 1 1147 . 25 1 1 A 113 113 ASN N N 113 129.510 126.986 2.524 1 1 1149 . 25 1 1 A 114 114 ARG H H 114 9.459 8.484 0.975 1 1 1150 . 25 1 1 A 114 114 ARG HA H 114 3.659 3.918 -0.259 1 1 1158 . 25 1 1 A 114 114 ARG C C 114 174.900 175.165 -0.265 1 1 1159 . 25 1 1 A 114 114 ARG CA C 114 58.280 57.692 0.588 1 1 1160 . 25 1 1 A 114 114 ARG CB C 114 27.250 27.684 -0.434 1 1 1161 . 25 1 1 A 114 114 ARG N N 114 106.570 110.924 -4.354 1 1 1163 . 25 1 1 A 115 115 GLU H H 115 7.827 7.860 -0.033 1 1 1164 . 25 1 1 A 115 115 GLU HA H 115 5.153 4.888 0.265 1 1 1169 . 25 1 1 A 115 115 GLU C C 115 173.950 174.328 -0.378 1 1 1170 . 25 1 1 A 115 115 GLU CA C 115 52.990 53.171 -0.181 1 1 1171 . 25 1 1 A 115 115 GLU N N 115 119.780 118.723 1.057 1 1 1172 . 25 1 1 A 116 116 PRO HA H 116 3.983 4.437 -0.454 1 1 1177 . 25 1 1 A 116 116 PRO C C 116 177.780 175.178 2.602 1 1 1178 . 25 1 1 A 116 116 PRO CA C 116 62.910 62.923 -0.013 1 1 1179 . 25 1 1 A 116 116 PRO CB C 116 31.200 31.502 -0.302 1 1 1180 . 25 1 1 A 117 117 ARG H H 117 8.414 8.880 -0.466 1 1 1181 . 25 1 1 A 117 117 ARG HA H 117 4.699 4.817 -0.118 1 1 1189 . 25 1 1 A 117 117 ARG C C 117 175.260 175.310 -0.050 1 1 1190 . 25 1 1 A 117 117 ARG CA C 117 52.990 54.873 -1.883 1 1 1191 . 25 1 1 A 117 117 ARG CB C 117 24.560 33.944 -9.384 1 1 1192 . 25 1 1 A 117 117 ARG N N 117 121.900 124.255 -2.355 1 1 1194 . 25 1 1 A 118 118 ASN H H 118 8.741 9.035 -0.294 1 1 1195 . 25 1 1 A 118 118 ASN HA H 118 4.731 4.795 -0.064 1 1 1200 . 25 1 1 A 118 118 ASN C C 118 175.220 173.706 1.514 1 1 1201 . 25 1 1 A 118 118 ASN CA C 118 55.090 54.841 0.249 1 1 1202 . 25 1 1 A 118 118 ASN CB C 118 38.920 39.617 -0.697 1 1 1203 . 25 1 1 A 118 118 ASN N N 118 120.190 120.286 -0.096 1 1 1205 . 25 1 1 A 119 119 ALA H H 119 7.372 7.929 -0.557 1 1 1206 . 25 1 1 A 119 119 ALA HA H 119 5.319 5.271 0.048 1 1 1210 . 25 1 1 A 119 119 ALA C C 119 176.720 175.484 1.236 1 1 1211 . 25 1 1 A 119 119 ALA CA C 119 52.120 50.269 1.851 1 1 1212 . 25 1 1 A 119 119 ALA CB C 119 21.460 22.430 -0.970 1 1 1213 . 25 1 1 A 119 119 ALA N N 119 120.380 120.407 -0.027 1 1 1214 . 25 1 1 A 120 120 GLN H H 120 8.787 8.815 -0.028 1 1 1215 . 25 1 1 A 120 120 GLN HA H 120 4.505 4.606 -0.101 1 1 1222 . 25 1 1 A 120 120 GLN C C 120 174.380 174.268 0.112 1 1 1223 . 25 1 1 A 120 120 GLN CA C 120 56.030 55.046 0.984 1 1 1224 . 25 1 1 A 120 120 GLN CB C 120 32.790 32.852 -0.062 1 1 1225 . 25 1 1 A 120 120 GLN N N 120 121.180 121.428 -0.248 1 1 1227 . 25 1 1 A 121 121 VAL H H 121 8.692 8.591 0.101 1 1 1228 . 25 1 1 A 121 121 VAL HA H 121 4.258 4.100 0.158 1 1 1236 . 25 1 1 A 121 121 VAL C C 121 176.510 175.628 0.882 1 1 1237 . 25 1 1 A 121 121 VAL CA C 121 64.140 62.934 1.206 1 1 1238 . 25 1 1 A 121 121 VAL CB C 121 31.700 31.897 -0.197 1 1 1239 . 25 1 1 A 121 121 VAL N N 121 129.930 126.424 3.506 1 1 1240 . 25 1 1 A 122 122 MET H H 122 8.924 9.104 -0.180 1 1 1241 . 25 1 1 A 122 122 MET HA H 122 4.419 4.728 -0.309 1 1 1249 . 25 1 1 A 122 122 MET C C 122 174.380 175.566 -1.186 1 1 1250 . 25 1 1 A 122 122 MET CA C 122 55.740 54.405 1.335 1 1 1251 . 25 1 1 A 122 122 MET CB C 122 35.140 33.851 1.289 1 1 1252 . 25 1 1 A 122 122 MET N N 122 129.560 126.999 2.561 1 1 1253 . 25 1 1 A 123 123 GLN H H 123 9.002 8.901 0.101 1 1 1254 . 25 1 1 A 123 123 GLN HA H 123 4.823 5.100 -0.277 1 1 1261 . 25 1 1 A 123 123 GLN C C 123 175.530 174.753 0.777 1 1 1262 . 25 1 1 A 123 123 GLN CA C 123 53.570 54.421 -0.851 1 1 1263 . 25 1 1 A 123 123 GLN CB C 123 32.290 31.849 0.441 1 1 1264 . 25 1 1 A 123 123 GLN N N 123 119.810 123.963 -4.153 1 1 1266 . 25 1 1 A 124 124 THR H H 124 9.036 8.635 0.401 1 1 1267 . 25 1 1 A 124 124 THR HA H 124 4.208 4.276 -0.068 1 1 1272 . 25 1 1 A 124 124 THR C C 124 175.300 175.613 -0.313 1 1 1273 . 25 1 1 A 124 124 THR CA C 124 65.510 63.824 1.686 1 1 1274 . 25 1 1 A 124 124 THR CB C 124 69.560 68.691 0.869 1 1 1275 . 25 1 1 A 124 124 THR N N 124 119.570 118.004 1.566 1 1 1276 . 25 1 1 A 125 125 GLY H H 125 9.921 9.337 0.584 1 1 1277 . 25 1 1 A 125 125 GLY HA2 H 125 4.552 3.986 0.566 1 1 1278 . 25 1 1 A 125 125 GLY HA3 H 125 3.480 4.004 -0.524 1 1 1279 . 25 1 1 A 125 125 GLY C C 125 174.650 174.228 0.422 1 1 1280 . 25 1 1 A 125 125 GLY CA C 125 44.710 44.991 -0.281 1 1 1281 . 25 1 1 A 125 125 GLY N N 125 117.920 117.120 0.800 1 1 1282 . 25 1 1 A 126 126 ASP H H 126 8.638 7.960 0.678 1 1 1283 . 25 1 1 A 126 126 ASP HA H 126 4.876 4.695 0.181 1 1 1286 . 25 1 1 A 126 126 ASP C C 126 174.650 175.752 -1.102 1 1 1287 . 25 1 1 A 126 126 ASP CA C 126 56.140 54.027 2.113 1 1 1288 . 25 1 1 A 126 126 ASP CB C 126 41.690 42.470 -0.780 1 1 1289 . 25 1 1 A 126 126 ASP N N 126 123.190 122.384 0.806 1 1 1290 . 25 1 1 A 127 127 GLU H H 127 8.316 8.752 -0.436 1 1 1291 . 25 1 1 A 127 127 GLU HA H 127 5.341 5.097 0.244 1 1 1296 . 25 1 1 A 127 127 GLU C C 127 175.990 175.490 0.500 1 1 1297 . 25 1 1 A 127 127 GLU CA C 127 54.440 54.786 -0.346 1 1 1298 . 25 1 1 A 127 127 GLU CB C 127 32.790 32.367 0.423 1 1 1299 . 25 1 1 A 127 127 GLU N N 127 118.480 123.280 -4.800 1 1 1300 . 25 1 1 A 128 128 ILE H H 128 9.910 9.354 0.556 1 1 1301 . 25 1 1 A 128 128 ILE HA H 128 5.334 5.004 0.330 1 1 1311 . 25 1 1 A 128 128 ILE C C 128 174.700 174.343 0.357 1 1 1312 . 25 1 1 A 128 128 ILE CA C 128 59.470 60.403 -0.933 1 1 1313 . 25 1 1 A 128 128 ILE CB C 128 40.600 39.145 1.455 1 1 1314 . 25 1 1 A 128 128 ILE N N 128 128.810 125.379 3.431 1 1 1315 . 25 1 1 A 129 129 GLN H H 129 9.502 9.411 0.091 1 1 1316 . 25 1 1 A 129 129 GLN HA H 129 5.406 5.112 0.294 1 1 1323 . 25 1 1 A 129 129 GLN C C 129 174.950 174.516 0.434 1 1 1324 . 25 1 1 A 129 129 GLN CA C 129 54.800 54.164 0.636 1 1 1325 . 25 1 1 A 129 129 GLN CB C 129 30.690 32.236 -1.546 1 1 1326 . 25 1 1 A 129 129 GLN N N 129 129.270 128.629 0.641 1 1 1328 . 25 1 1 A 130 130 ILE H H 130 8.498 8.586 -0.088 1 1 1329 . 25 1 1 A 130 130 ILE HA H 130 4.116 4.528 -0.412 1 1 1339 . 25 1 1 A 130 130 ILE C C 130 174.860 176.009 -1.149 1 1 1340 . 25 1 1 A 130 130 ILE CA C 130 60.740 60.070 0.670 1 1 1341 . 25 1 1 A 130 130 ILE CB C 130 41.440 38.468 2.972 1 1 1342 . 25 1 1 A 130 130 ILE N N 130 129.070 127.720 1.350 1 1 1343 . 25 1 1 A 131 131 GLY H H 131 9.924 8.808 1.116 1 1 1344 . 25 1 1 A 131 131 GLY HA2 H 131 3.768 3.751 0.017 1 1 1345 . 25 1 1 A 131 131 GLY HA3 H 131 3.337 3.882 -0.545 1 1 1346 . 25 1 1 A 131 131 GLY C C 131 174.590 174.667 -0.077 1 1 1347 . 25 1 1 A 131 131 GLY CA C 131 46.700 47.341 -0.641 1 1 1348 . 25 1 1 A 131 131 GLY N N 131 116.470 117.778 -1.308 1 1 1349 . 25 1 1 A 132 132 LYS H H 132 7.141 8.595 -1.454 1 1 1350 . 25 1 1 A 132 132 LYS HA H 132 3.750 4.389 -0.639 1 1 1357 . 25 1 1 A 132 132 LYS C C 132 175.820 176.243 -0.423 1 1 1358 . 25 1 1 A 132 132 LYS CA C 132 57.550 56.457 1.093 1 1 1359 . 25 1 1 A 132 132 LYS CB C 132 33.300 33.852 -0.552 1 1 1360 . 25 1 1 A 132 132 LYS N N 132 122.960 125.341 -2.381 1 1 1361 . 25 1 1 A 133 133 PHE H H 133 8.360 7.190 1.170 1 1 1362 . 25 1 1 A 133 133 PHE HA H 133 4.601 4.924 -0.323 1 1 1370 . 25 1 1 A 133 133 PHE C C 133 174.910 174.969 -0.059 1 1 1371 . 25 1 1 A 133 133 PHE CA C 133 58.600 55.426 3.174 1 1 1372 . 25 1 1 A 133 133 PHE CB C 133 40.510 41.250 -0.740 1 1 1373 . 25 1 1 A 133 133 PHE N N 133 118.170 115.766 2.404 1 1 1374 . 25 1 1 A 134 134 ARG H H 134 8.698 9.214 -0.516 1 1 1375 . 25 1 1 A 134 134 ARG HA H 134 5.212 5.090 0.122 1 1 1383 . 25 1 1 A 134 134 ARG C C 134 175.150 174.945 0.205 1 1 1384 . 25 1 1 A 134 134 ARG CA C 134 55.060 54.758 0.302 1 1 1385 . 25 1 1 A 134 134 ARG CB C 134 33.550 33.356 0.194 1 1 1386 . 25 1 1 A 134 134 ARG N N 134 120.770 119.492 1.278 1 1 1388 . 25 1 1 A 135 135 LEU H H 135 9.904 9.503 0.401 1 1 1389 . 25 1 1 A 135 135 LEU HA H 135 5.544 5.431 0.113 1 1 1399 . 25 1 1 A 135 135 LEU C C 135 175.260 175.587 -0.327 1 1 1400 . 25 1 1 A 135 135 LEU CA C 135 53.930 53.535 0.395 1 1 1401 . 25 1 1 A 135 135 LEU CB C 135 45.550 44.825 0.725 1 1 1402 . 25 1 1 A 135 135 LEU N N 135 127.130 124.759 2.371 1 1 1403 . 25 1 1 A 136 136 VAL H H 136 9.350 9.424 -0.074 1 1 1404 . 25 1 1 A 136 136 VAL HA H 136 5.226 4.706 0.520 1 1 1412 . 25 1 1 A 136 136 VAL C C 136 174.050 174.203 -0.153 1 1 1413 . 25 1 1 A 136 136 VAL CA C 136 60.520 60.601 -0.081 1 1 1414 . 25 1 1 A 136 136 VAL CB C 136 34.890 33.681 1.209 1 1 1415 . 25 1 1 A 136 136 VAL N N 136 121.300 122.742 -1.442 1 1 1416 . 25 1 1 A 137 137 PHE H H 137 8.492 9.297 -0.805 1 1 1417 . 25 1 1 A 137 137 PHE HA H 137 5.007 4.940 0.067 1 1 1424 . 25 1 1 A 137 137 PHE C C 137 173.340 173.924 -0.584 1 1 1425 . 25 1 1 A 137 137 PHE CA C 137 57.010 56.321 0.689 1 1 1426 . 25 1 1 A 137 137 PHE CB C 137 41.770 40.330 1.440 1 1 1427 . 25 1 1 A 137 137 PHE N N 137 127.550 128.480 -0.930 1 1 1428 . 25 1 1 A 138 138 LEU H H 138 8.535 8.772 -0.237 1 1 1429 . 25 1 1 A 138 138 LEU HA H 138 4.345 4.725 -0.380 1 1 1439 . 25 1 1 A 138 138 LEU C C 138 173.390 174.918 -1.528 1 1 1440 . 25 1 1 A 138 138 LEU CA C 138 53.680 53.105 0.575 1 1 1441 . 25 1 1 A 138 138 LEU CB C 138 45.210 45.213 -0.003 1 1 1442 . 25 1 1 A 138 138 LEU N N 138 128.590 127.971 0.619 1 1 1443 . 25 1 1 A 139 139 ALA H H 139 7.502 8.318 -0.816 1 1 1444 . 25 1 1 A 139 139 ALA HA H 139 3.952 4.187 -0.235 1 1 1448 . 25 1 1 A 139 139 ALA C C 139 178.010 177.557 0.453 1 1 1449 . 25 1 1 A 139 139 ALA CA C 139 51.650 51.654 -0.004 1 1 1450 . 25 1 1 A 139 139 ALA CB C 139 20.700 19.294 1.406 1 1 1451 . 25 1 1 A 139 139 ALA N N 139 123.250 125.313 -2.063 1 1 1452 . 25 1 1 A 140 140 GLY H H 140 7.968 8.631 -0.663 1 1 1453 . 25 1 1 A 140 140 GLY HA2 H 140 4.202 3.909 0.293 1 1 1454 . 25 1 1 A 140 140 GLY HA3 H 140 3.595 3.929 -0.334 1 1 1455 . 25 1 1 A 140 140 GLY C C 140 171.240 173.166 -1.926 1 1 1456 . 25 1 1 A 140 140 GLY CA C 140 44.710 44.827 -0.117 1 1 1457 . 25 1 1 A 140 140 GLY N N 140 108.040 110.651 -2.611 1 1 1458 . 25 1 1 A 141 141 PRO HA H 141 4.460 4.534 -0.074 1 1 1463 . 25 1 1 A 141 141 PRO C C 141 176.150 176.409 -0.259 1 1 1464 . 25 1 1 A 141 141 PRO CA C 141 63.230 62.745 0.485 1 1 1465 . 25 1 1 A 141 141 PRO CB C 141 32.370 32.528 -0.158 1 1 1466 . 25 1 1 A 142 142 ALA H H 142 8.496 8.382 0.114 1 1 1467 . 25 1 1 A 142 142 ALA HA H 142 4.363 4.407 -0.044 1 1 1471 . 25 1 1 A 142 142 ALA C C 142 177.320 176.581 0.739 1 1 1472 . 25 1 1 A 142 142 ALA CA C 142 52.740 51.892 0.848 1 1 1473 . 25 1 1 A 142 142 ALA CB C 142 19.780 18.102 1.678 1 1 1474 . 25 1 1 A 142 142 ALA N N 142 124.080 122.983 1.097 1 1 4 . 26 1 1 A 2 2 SER H H 2 8.404 7.885 0.519 1 1 5 . 26 1 1 A 2 2 SER HA H 2 4.430 4.916 -0.486 1 1 8 . 26 1 1 A 2 2 SER C C 2 174.220 172.652 1.568 1 1 9 . 26 1 1 A 2 2 SER CA C 2 58.650 56.577 2.073 1 1 10 . 26 1 1 A 2 2 SER CB C 2 64.280 64.998 -0.718 1 1 11 . 26 1 1 A 2 2 SER N N 2 116.880 114.138 2.742 1 1 12 . 26 1 1 A 3 3 ASP H H 3 8.314 9.211 -0.897 1 1 13 . 26 1 1 A 3 3 ASP HA H 3 4.594 5.538 -0.944 1 1 16 . 26 1 1 A 3 3 ASP C C 3 176.070 174.236 1.834 1 1 17 . 26 1 1 A 3 3 ASP CA C 3 54.580 52.209 2.371 1 1 18 . 26 1 1 A 3 3 ASP CB C 3 41.530 44.579 -3.049 1 1 19 . 26 1 1 A 3 3 ASP N N 3 122.210 124.818 -2.608 1 1 20 . 26 1 1 A 4 4 ASN H H 4 8.326 8.707 -0.381 1 1 21 . 26 1 1 A 4 4 ASN HA H 4 4.748 5.375 -0.627 1 1 24 . 26 1 1 A 4 4 ASN C C 4 175.130 174.522 0.608 1 1 25 . 26 1 1 A 4 4 ASN CA C 4 53.430 52.176 1.254 1 1 26 . 26 1 1 A 4 4 ASN CB C 4 38.920 43.046 -4.126 1 1 27 . 26 1 1 A 4 4 ASN N N 4 118.670 119.080 -0.410 1 1 28 . 26 1 1 A 5 5 ASN H H 5 8.467 8.789 -0.322 1 1 29 . 26 1 1 A 5 5 ASN HA H 5 4.702 4.995 -0.293 1 1 32 . 26 1 1 A 5 5 ASN C C 5 175.700 176.165 -0.465 1 1 33 . 26 1 1 A 5 5 ASN CA C 5 53.610 53.103 0.507 1 1 34 . 26 1 1 A 5 5 ASN CB C 5 39.090 38.852 0.238 1 1 35 . 26 1 1 A 5 5 ASN N N 5 119.070 121.676 -2.606 1 1 36 . 26 1 1 A 6 6 GLY H H 6 8.333 8.277 0.056 1 1 37 . 26 1 1 A 6 6 GLY HA2 H 6 3.960 3.981 -0.021 1 1 38 . 26 1 1 A 6 6 GLY HA3 H 6 3.960 3.982 -0.022 1 1 39 . 26 1 1 A 6 6 GLY C C 6 174.050 174.345 -0.295 1 1 40 . 26 1 1 A 6 6 GLY CA C 6 45.390 45.591 -0.201 1 1 41 . 26 1 1 A 6 6 GLY N N 6 109.000 108.239 0.761 1 1 42 . 26 1 1 A 7 7 THR H H 7 8.076 7.559 0.517 1 1 43 . 26 1 1 A 7 7 THR HA H 7 4.591 4.498 0.093 1 1 48 . 26 1 1 A 7 7 THR C C 7 172.840 173.501 -0.661 1 1 49 . 26 1 1 A 7 7 THR CA C 7 60.050 60.127 -0.077 1 1 50 . 26 1 1 A 7 7 THR N N 7 116.910 112.870 4.040 1 1 51 . 26 1 1 A 8 8 PRO HA H 8 4.414 4.624 -0.210 1 1 54 . 26 1 1 A 8 8 PRO C C 8 176.690 176.778 -0.088 1 1 55 . 26 1 1 A 8 8 PRO CA C 8 63.090 62.819 0.271 1 1 56 . 26 1 1 A 8 8 PRO CB C 8 32.290 32.488 -0.198 1 1 57 . 26 1 1 A 9 9 GLU H H 9 8.467 8.580 -0.113 1 1 58 . 26 1 1 A 9 9 GLU HA H 9 4.527 4.729 -0.202 1 1 63 . 26 1 1 A 9 9 GLU C C 9 174.680 174.590 0.090 1 1 64 . 26 1 1 A 9 9 GLU CA C 9 54.550 54.441 0.109 1 1 65 . 26 1 1 A 9 9 GLU N N 9 122.910 121.551 1.359 1 1 66 . 26 1 1 A 10 10 PRO HA H 10 4.371 4.751 -0.380 1 1 71 . 26 1 1 A 10 10 PRO C C 10 176.820 175.909 0.911 1 1 72 . 26 1 1 A 10 10 PRO CA C 10 63.300 62.506 0.794 1 1 73 . 26 1 1 A 10 10 PRO CB C 10 32.290 32.704 -0.414 1 1 74 . 26 1 1 A 11 11 GLN H H 11 8.543 8.936 -0.393 1 1 75 . 26 1 1 A 11 11 GLN HA H 11 4.334 4.835 -0.501 1 1 82 . 26 1 1 A 11 11 GLN C C 11 176.010 175.229 0.781 1 1 83 . 26 1 1 A 11 11 GLN CA C 11 55.710 55.616 0.094 1 1 84 . 26 1 1 A 11 11 GLN CB C 11 29.520 30.685 -1.165 1 1 85 . 26 1 1 A 11 11 GLN N N 11 121.100 120.465 0.635 1 1 87 . 26 1 1 A 12 12 VAL H H 12 8.201 8.718 -0.517 1 1 88 . 26 1 1 A 12 12 VAL HA H 12 4.144 4.682 -0.538 1 1 96 . 26 1 1 A 12 12 VAL C C 12 175.940 175.382 0.558 1 1 97 . 26 1 1 A 12 12 VAL CA C 12 62.110 61.610 0.500 1 1 98 . 26 1 1 A 12 12 VAL CB C 12 32.800 32.809 -0.009 1 1 99 . 26 1 1 A 12 12 VAL N N 12 122.070 123.832 -1.762 1 1 100 . 26 1 1 A 13 13 GLU H H 13 8.593 8.972 -0.379 1 1 101 . 26 1 1 A 13 13 GLU HA H 13 4.329 4.840 -0.511 1 1 106 . 26 1 1 A 13 13 GLU C C 13 176.720 176.689 0.031 1 1 107 . 26 1 1 A 13 13 GLU CA C 13 56.830 54.637 2.193 1 1 108 . 26 1 1 A 13 13 GLU CB C 13 30.860 32.848 -1.988 1 1 109 . 26 1 1 A 13 13 GLU N N 13 124.660 126.984 -2.324 1 1 138 . 26 1 1 A 17 17 VAL H H 17 8.458 8.680 -0.222 1 1 139 . 26 1 1 A 17 17 VAL HA H 17 4.183 4.360 -0.177 1 1 147 . 26 1 1 A 17 17 VAL C C 17 175.950 175.076 0.874 1 1 148 . 26 1 1 A 17 17 VAL CA C 17 63.780 62.590 1.190 1 1 149 . 26 1 1 A 17 17 VAL CB C 17 32.460 31.958 0.502 1 1 150 . 26 1 1 A 17 17 VAL N N 17 124.860 124.132 0.728 1 1 151 . 26 1 1 A 18 18 PHE H H 18 8.579 9.061 -0.482 1 1 152 . 26 1 1 A 18 18 PHE HA H 18 4.650 5.171 -0.521 1 1 160 . 26 1 1 A 18 18 PHE C C 18 173.450 174.169 -0.719 1 1 161 . 26 1 1 A 18 18 PHE CA C 18 57.480 56.340 1.140 1 1 162 . 26 1 1 A 18 18 PHE CB C 18 41.950 42.139 -0.189 1 1 163 . 26 1 1 A 18 18 PHE N N 18 127.160 128.405 -1.245 1 1 164 . 26 1 1 A 19 19 ARG H H 19 7.920 8.667 -0.747 1 1 165 . 26 1 1 A 19 19 ARG HA H 19 4.196 5.163 -0.967 1 1 170 . 26 1 1 A 19 19 ARG C C 19 174.930 174.435 0.495 1 1 171 . 26 1 1 A 19 19 ARG CA C 19 54.800 54.674 0.126 1 1 172 . 26 1 1 A 19 19 ARG CB C 19 30.610 33.161 -2.551 1 1 173 . 26 1 1 A 19 19 ARG N N 19 127.500 127.612 -0.112 1 1 174 . 26 1 1 A 20 20 ALA H H 20 8.067 9.095 -1.028 1 1 175 . 26 1 1 A 20 20 ALA HA H 20 3.729 5.007 -1.278 1 1 179 . 26 1 1 A 20 20 ALA C C 20 177.630 177.986 -0.356 1 1 180 . 26 1 1 A 20 20 ALA CA C 20 53.280 50.701 2.579 1 1 181 . 26 1 1 A 20 20 ALA CB C 20 18.860 21.705 -2.845 1 1 182 . 26 1 1 A 20 20 ALA N N 20 126.460 130.216 -3.756 1 1 183 . 26 1 1 A 21 21 ASP H H 21 8.355 9.013 -0.658 1 1 184 . 26 1 1 A 21 21 ASP HA H 21 4.350 4.536 -0.186 1 1 187 . 26 1 1 A 21 21 ASP C C 21 176.720 176.826 -0.106 1 1 188 . 26 1 1 A 21 21 ASP CA C 21 54.480 54.586 -0.106 1 1 189 . 26 1 1 A 21 21 ASP CB C 21 40.350 39.881 0.469 1 1 190 . 26 1 1 A 21 21 ASP N N 21 117.850 122.419 -4.569 1 1 191 . 26 1 1 A 22 22 LEU H H 22 7.705 7.813 -0.108 1 1 192 . 26 1 1 A 22 22 LEU HA H 22 4.088 4.017 0.071 1 1 202 . 26 1 1 A 22 22 LEU C C 22 177.760 177.590 0.170 1 1 203 . 26 1 1 A 22 22 LEU CA C 22 55.780 57.145 -1.365 1 1 204 . 26 1 1 A 22 22 LEU CB C 22 41.860 41.699 0.161 1 1 205 . 26 1 1 A 22 22 LEU N N 22 121.600 118.926 2.674 1 1 206 . 26 1 1 A 23 23 LEU H H 23 7.717 7.889 -0.172 1 1 207 . 26 1 1 A 23 23 LEU HA H 23 4.166 3.842 0.324 1 1 217 . 26 1 1 A 23 23 LEU C C 23 177.840 178.865 -1.025 1 1 218 . 26 1 1 A 23 23 LEU CA C 23 55.960 57.224 -1.264 1 1 219 . 26 1 1 A 23 23 LEU CB C 23 41.950 41.398 0.552 1 1 220 . 26 1 1 A 23 23 LEU N N 23 120.360 119.696 0.664 1 1 221 . 26 1 1 A 24 24 LYS H H 24 7.933 7.982 -0.049 1 1 222 . 26 1 1 A 24 24 LYS HA H 24 4.174 4.004 0.170 1 1 229 . 26 1 1 A 24 24 LYS C C 24 177.190 178.938 -1.748 1 1 230 . 26 1 1 A 24 24 LYS CA C 24 57.050 58.945 -1.895 1 1 231 . 26 1 1 A 24 24 LYS CB C 24 32.880 31.866 1.014 1 1 232 . 26 1 1 A 24 24 LYS N N 24 121.120 119.201 1.919 1 1 233 . 26 1 1 A 25 25 GLU H H 25 8.160 8.086 0.074 1 1 234 . 26 1 1 A 25 25 GLU HA H 25 4.199 4.645 -0.446 1 1 239 . 26 1 1 A 25 25 GLU C C 25 176.900 178.957 -2.057 1 1 240 . 26 1 1 A 25 25 GLU CA C 25 57.010 59.011 -2.001 1 1 241 . 26 1 1 A 25 25 GLU CB C 25 30.280 29.777 0.503 1 1 242 . 26 1 1 A 25 25 GLU N N 25 121.550 119.109 2.441 1 1 243 . 26 1 1 A 26 26 MET H H 26 8.270 7.878 0.392 1 1 244 . 26 1 1 A 26 26 MET HA H 26 4.360 4.156 0.204 1 1 252 . 26 1 1 A 26 26 MET C C 26 176.440 177.569 -1.129 1 1 253 . 26 1 1 A 26 26 MET CA C 26 56.180 58.467 -2.287 1 1 254 . 26 1 1 A 26 26 MET CB C 26 33.050 32.328 0.722 1 1 255 . 26 1 1 A 26 26 MET N N 26 120.730 117.436 3.294 1 1 256 . 26 1 1 A 27 27 GLU H H 27 8.297 8.162 0.135 1 1 257 . 26 1 1 A 27 27 GLU HA H 27 4.264 4.185 0.079 1 1 262 . 26 1 1 A 27 27 GLU C C 27 176.650 178.382 -1.732 1 1 263 . 26 1 1 A 27 27 GLU CA C 27 56.830 58.317 -1.487 1 1 264 . 26 1 1 A 27 27 GLU CB C 27 30.530 29.671 0.859 1 1 265 . 26 1 1 A 27 27 GLU N N 27 121.650 118.608 3.042 1 1 266 . 26 1 1 A 28 28 SER H H 28 8.279 7.721 0.558 1 1 267 . 26 1 1 A 28 28 SER HA H 28 4.473 4.220 0.253 1 1 270 . 26 1 1 A 28 28 SER C C 28 174.760 177.099 -2.339 1 1 271 . 26 1 1 A 28 28 SER CA C 28 58.460 61.323 -2.863 1 1 272 . 26 1 1 A 28 28 SER CB C 28 64.190 62.820 1.370 1 1 273 . 26 1 1 A 28 28 SER N N 28 116.610 116.274 0.336 1 1 274 . 26 1 1 A 29 29 SER H H 29 8.443 8.115 0.328 1 1 275 . 26 1 1 A 29 29 SER HA H 29 4.541 4.138 0.403 1 1 278 . 26 1 1 A 29 29 SER C C 29 174.950 175.116 -0.166 1 1 279 . 26 1 1 A 29 29 SER CA C 29 58.530 62.186 -3.656 1 1 280 . 26 1 1 A 29 29 SER CB C 29 64.190 63.200 0.990 1 1 281 . 26 1 1 A 29 29 SER N N 29 118.290 117.248 1.042 1 1 282 . 26 1 1 A 30 30 THR H H 30 8.220 7.802 0.418 1 1 283 . 26 1 1 A 30 30 THR HA H 30 4.372 3.916 0.456 1 1 288 . 26 1 1 A 30 30 THR C C 30 175.280 175.368 -0.088 1 1 289 . 26 1 1 A 30 30 THR CA C 30 62.260 65.035 -2.775 1 1 290 . 26 1 1 A 30 30 THR CB C 30 69.900 67.313 2.587 1 1 291 . 26 1 1 A 30 30 THR N N 30 115.600 112.583 3.017 1 1 292 . 26 1 1 A 31 31 GLY H H 31 8.401 8.404 -0.003 1 1 293 . 26 1 1 A 31 31 GLY HA2 H 31 4.005 3.878 0.127 1 1 294 . 26 1 1 A 31 31 GLY HA3 H 31 4.005 3.879 0.126 1 1 295 . 26 1 1 A 31 31 GLY C C 31 174.160 173.582 0.578 1 1 296 . 26 1 1 A 31 31 GLY CA C 31 45.470 47.164 -1.694 1 1 297 . 26 1 1 A 31 31 GLY N N 31 111.270 108.158 3.112 1 1 298 . 26 1 1 A 32 32 THR H H 32 8.034 8.384 -0.350 1 1 299 . 26 1 1 A 32 32 THR HA H 32 4.319 5.047 -0.728 1 1 304 . 26 1 1 A 32 32 THR C C 32 174.130 173.082 1.048 1 1 305 . 26 1 1 A 32 32 THR CA C 32 61.710 61.080 0.630 1 1 306 . 26 1 1 A 32 32 THR CB C 32 70.150 70.424 -0.274 1 1 307 . 26 1 1 A 32 32 THR N N 32 113.770 116.861 -3.091 1 1 308 . 26 1 1 A 33 33 ALA H H 33 8.410 8.790 -0.380 1 1 309 . 26 1 1 A 33 33 ALA HA H 33 4.581 4.764 -0.183 1 1 313 . 26 1 1 A 33 33 ALA C C 33 175.490 175.787 -0.297 1 1 314 . 26 1 1 A 33 33 ALA CA C 33 50.680 48.640 2.040 1 1 315 . 26 1 1 A 33 33 ALA N N 33 128.320 128.714 -0.394 1 1 316 . 26 1 1 A 34 34 PRO HA H 34 4.389 4.637 -0.248 1 1 321 . 26 1 1 A 34 34 PRO C C 34 176.650 176.582 0.068 1 1 322 . 26 1 1 A 34 34 PRO CA C 34 63.090 62.493 0.597 1 1 323 . 26 1 1 A 34 34 PRO CB C 34 32.210 31.865 0.345 1 1 324 . 26 1 1 A 35 35 ALA H H 35 8.433 8.279 0.154 1 1 325 . 26 1 1 A 35 35 ALA HA H 35 4.275 4.555 -0.280 1 1 329 . 26 1 1 A 35 35 ALA C C 35 177.730 176.697 1.033 1 1 330 . 26 1 1 A 35 35 ALA CA C 35 52.590 51.901 0.689 1 1 331 . 26 1 1 A 35 35 ALA CB C 35 19.450 19.829 -0.379 1 1 332 . 26 1 1 A 35 35 ALA N N 35 124.330 124.453 -0.123 1 1 333 . 26 1 1 A 36 36 SER H H 36 8.259 8.699 -0.440 1 1 334 . 26 1 1 A 36 36 SER HA H 36 4.474 4.928 -0.454 1 1 337 . 26 1 1 A 36 36 SER C C 36 174.860 174.175 0.685 1 1 338 . 26 1 1 A 36 36 SER CA C 36 58.130 57.405 0.725 1 1 339 . 26 1 1 A 36 36 SER CB C 36 64.190 62.664 1.526 1 1 340 . 26 1 1 A 36 36 SER N N 36 114.560 116.591 -2.031 1 1 341 . 26 1 1 A 37 37 THR H H 37 8.325 8.405 -0.080 1 1 342 . 26 1 1 A 37 37 THR HA H 37 4.281 4.273 0.008 1 1 346 . 26 1 1 A 37 37 THR C C 37 175.110 174.726 0.384 1 1 347 . 26 1 1 A 37 37 THR CA C 37 62.260 63.332 -1.072 1 1 348 . 26 1 1 A 37 37 THR CB C 37 70.150 70.077 0.073 1 1 349 . 26 1 1 A 37 37 THR N N 37 115.300 119.780 -4.480 1 1 350 . 26 1 1 A 38 38 GLY H H 38 8.511 7.624 0.887 1 1 351 . 26 1 1 A 38 38 GLY HA2 H 38 3.975 4.071 -0.096 1 1 352 . 26 1 1 A 38 38 GLY HA3 H 38 3.809 4.077 -0.268 1 1 353 . 26 1 1 A 38 38 GLY C C 38 174.470 175.391 -0.921 1 1 354 . 26 1 1 A 38 38 GLY CA C 38 45.470 45.252 0.218 1 1 355 . 26 1 1 A 38 38 GLY N N 38 110.440 108.882 1.558 1 1 356 . 26 1 1 A 39 39 ALA H H 39 8.245 8.317 -0.072 1 1 357 . 26 1 1 A 39 39 ALA HA H 39 4.164 4.011 0.153 1 1 361 . 26 1 1 A 39 39 ALA C C 39 177.590 179.667 -2.077 1 1 362 . 26 1 1 A 39 39 ALA CA C 39 52.560 54.911 -2.351 1 1 363 . 26 1 1 A 39 39 ALA CB C 39 19.360 18.378 0.982 1 1 364 . 26 1 1 A 39 39 ALA N N 39 124.080 121.796 2.284 1 1 365 . 26 1 1 A 40 40 GLU H H 40 8.721 8.396 0.325 1 1 366 . 26 1 1 A 40 40 GLU HA H 40 4.083 4.262 -0.179 1 1 371 . 26 1 1 A 40 40 GLU C C 40 176.320 177.419 -1.099 1 1 372 . 26 1 1 A 40 40 GLU CA C 40 57.910 58.047 -0.137 1 1 373 . 26 1 1 A 40 40 GLU CB C 40 29.520 27.930 1.590 1 1 374 . 26 1 1 A 40 40 GLU N N 40 118.270 116.050 2.220 1 1 375 . 26 1 1 A 41 41 ASN H H 41 8.226 7.944 0.282 1 1 376 . 26 1 1 A 41 41 ASN HA H 41 4.716 4.845 -0.129 1 1 381 . 26 1 1 A 41 41 ASN C C 41 174.800 174.638 0.162 1 1 382 . 26 1 1 A 41 41 ASN CA C 41 52.880 52.891 -0.011 1 1 383 . 26 1 1 A 41 41 ASN CB C 41 38.840 39.303 -0.463 1 1 384 . 26 1 1 A 41 41 ASN N N 41 117.620 116.858 0.762 1 1 386 . 26 1 1 A 42 42 LEU H H 42 7.629 7.754 -0.125 1 1 387 . 26 1 1 A 42 42 LEU HA H 42 4.418 4.131 0.287 1 1 397 . 26 1 1 A 42 42 LEU C C 42 174.610 177.021 -2.411 1 1 398 . 26 1 1 A 42 42 LEU CA C 42 53.170 55.470 -2.300 1 1 399 . 26 1 1 A 42 42 LEU N N 42 123.010 116.986 6.024 1 1 400 . 26 1 1 A 43 43 PRO HA H 43 4.366 4.331 0.035 1 1 407 . 26 1 1 A 43 43 PRO C C 43 177.050 177.372 -0.322 1 1 408 . 26 1 1 A 43 43 PRO CA C 43 62.260 66.294 -4.034 1 1 409 . 26 1 1 A 43 43 PRO CB C 43 32.380 31.237 1.143 1 1 410 . 26 1 1 A 44 44 ALA H H 44 8.552 7.792 0.760 1 1 411 . 26 1 1 A 44 44 ALA HA H 44 4.223 4.530 -0.307 1 1 415 . 26 1 1 A 44 44 ALA C C 44 179.500 178.317 1.183 1 1 416 . 26 1 1 A 44 44 ALA CA C 44 53.250 51.637 1.613 1 1 417 . 26 1 1 A 44 44 ALA CB C 44 18.190 20.411 -2.221 1 1 418 . 26 1 1 A 44 44 ALA N N 44 125.070 117.524 7.546 1 1 419 . 26 1 1 A 45 45 GLY H H 45 8.897 8.596 0.301 1 1 420 . 26 1 1 A 45 45 GLY HA2 H 45 4.214 3.965 0.249 1 1 421 . 26 1 1 A 45 45 GLY HA3 H 45 3.833 3.998 -0.165 1 1 422 . 26 1 1 A 45 45 GLY C C 45 173.720 173.502 0.218 1 1 423 . 26 1 1 A 45 45 GLY CA C 45 45.790 45.453 0.337 1 1 424 . 26 1 1 A 45 45 GLY N N 45 110.600 110.283 0.317 1 1 425 . 26 1 1 A 46 46 SER H H 46 7.690 8.066 -0.376 1 1 426 . 26 1 1 A 46 46 SER HA H 46 5.338 5.323 0.015 1 1 429 . 26 1 1 A 46 46 SER C C 46 172.990 172.869 0.121 1 1 430 . 26 1 1 A 46 46 SER CA C 46 57.810 57.950 -0.140 1 1 431 . 26 1 1 A 46 46 SER CB C 46 66.960 67.079 -0.119 1 1 432 . 26 1 1 A 46 46 SER N N 46 114.180 116.020 -1.840 1 1 433 . 26 1 1 A 47 47 ALA H H 47 8.435 8.398 0.037 1 1 434 . 26 1 1 A 47 47 ALA HA H 47 4.338 4.889 -0.551 1 1 438 . 26 1 1 A 47 47 ALA C C 47 173.840 175.993 -2.153 1 1 439 . 26 1 1 A 47 47 ALA CA C 47 51.690 51.457 0.233 1 1 440 . 26 1 1 A 47 47 ALA CB C 47 24.570 23.423 1.147 1 1 441 . 26 1 1 A 47 47 ALA N N 47 120.900 123.575 -2.675 1 1 442 . 26 1 1 A 48 48 LEU H H 48 8.673 8.186 0.487 1 1 443 . 26 1 1 A 48 48 LEU HA H 48 5.021 5.391 -0.370 1 1 453 . 26 1 1 A 48 48 LEU C C 48 174.680 175.717 -1.037 1 1 454 . 26 1 1 A 48 48 LEU CA C 48 53.350 52.632 0.718 1 1 455 . 26 1 1 A 48 48 LEU CB C 48 48.150 45.535 2.615 1 1 456 . 26 1 1 A 48 48 LEU N N 48 120.170 115.378 4.792 1 1 457 . 26 1 1 A 49 49 LEU H H 49 8.686 9.356 -0.670 1 1 458 . 26 1 1 A 49 49 LEU HA H 49 5.403 5.443 -0.040 1 1 468 . 26 1 1 A 49 49 LEU C C 49 176.170 174.982 1.188 1 1 469 . 26 1 1 A 49 49 LEU CA C 49 52.810 53.156 -0.346 1 1 470 . 26 1 1 A 49 49 LEU CB C 49 46.310 44.688 1.622 1 1 471 . 26 1 1 A 49 49 LEU N N 49 120.170 120.066 0.104 1 1 472 . 26 1 1 A 50 50 VAL H H 50 8.874 9.332 -0.458 1 1 473 . 26 1 1 A 50 50 VAL HA H 50 4.971 5.081 -0.110 1 1 481 . 26 1 1 A 50 50 VAL C C 50 176.740 174.134 2.606 1 1 482 . 26 1 1 A 50 50 VAL CA C 50 59.940 59.831 0.109 1 1 483 . 26 1 1 A 50 50 VAL CB C 50 34.970 34.379 0.591 1 1 484 . 26 1 1 A 50 50 VAL N N 50 120.580 121.469 -0.889 1 1 485 . 26 1 1 A 51 51 VAL H H 51 8.984 9.383 -0.399 1 1 486 . 26 1 1 A 51 51 VAL HA H 51 4.155 4.204 -0.049 1 1 494 . 26 1 1 A 51 51 VAL C C 51 176.050 176.034 0.016 1 1 495 . 26 1 1 A 51 51 VAL CA C 51 64.280 62.988 1.292 1 1 496 . 26 1 1 A 51 51 VAL CB C 51 31.280 31.493 -0.213 1 1 497 . 26 1 1 A 51 51 VAL N N 51 125.710 128.317 -2.607 1 1 498 . 26 1 1 A 52 52 LYS H H 52 9.444 9.726 -0.282 1 1 499 . 26 1 1 A 52 52 LYS HA H 52 4.450 4.388 0.062 1 1 506 . 26 1 1 A 52 52 LYS C C 52 176.150 175.740 0.410 1 1 507 . 26 1 1 A 52 52 LYS CA C 52 57.050 57.432 -0.382 1 1 508 . 26 1 1 A 52 52 LYS CB C 52 34.470 33.839 0.631 1 1 509 . 26 1 1 A 52 52 LYS N N 52 132.750 129.877 2.873 1 1 510 . 26 1 1 A 53 53 ARG H H 53 8.051 7.510 0.541 1 1 511 . 26 1 1 A 53 53 ARG HA H 53 4.685 4.865 -0.180 1 1 516 . 26 1 1 A 53 53 ARG C C 53 173.470 174.736 -1.266 1 1 517 . 26 1 1 A 53 53 ARG CA C 53 55.090 55.151 -0.061 1 1 518 . 26 1 1 A 53 53 ARG CB C 53 34.300 34.147 0.153 1 1 519 . 26 1 1 A 53 53 ARG N N 53 117.320 118.676 -1.356 1 1 520 . 26 1 1 A 54 54 GLY H H 54 8.377 8.357 0.020 1 1 521 . 26 1 1 A 54 54 GLY HA2 H 54 4.215 3.825 0.390 1 1 522 . 26 1 1 A 54 54 GLY HA3 H 54 3.503 3.923 -0.420 1 1 523 . 26 1 1 A 54 54 GLY C C 54 171.870 174.537 -2.667 1 1 524 . 26 1 1 A 54 54 GLY CA C 54 43.770 44.202 -0.432 1 1 525 . 26 1 1 A 54 54 GLY N N 54 110.960 112.308 -1.348 1 1 526 . 26 1 1 A 55 55 PRO HA H 55 4.255 4.363 -0.108 1 1 531 . 26 1 1 A 55 55 PRO C C 55 175.940 177.458 -1.518 1 1 532 . 26 1 1 A 55 55 PRO CA C 55 64.390 65.151 -0.761 1 1 533 . 26 1 1 A 55 55 PRO CB C 55 31.360 31.931 -0.571 1 1 534 . 26 1 1 A 56 56 ASN H H 56 8.202 8.418 -0.216 1 1 535 . 26 1 1 A 56 56 ASN HA H 56 4.685 4.990 -0.305 1 1 540 . 26 1 1 A 56 56 ASN C C 56 174.410 174.505 -0.095 1 1 541 . 26 1 1 A 56 56 ASN CA C 56 52.120 52.770 -0.650 1 1 542 . 26 1 1 A 56 56 ASN CB C 56 37.070 38.983 -1.913 1 1 543 . 26 1 1 A 56 56 ASN N N 56 114.760 114.573 0.187 1 1 545 . 26 1 1 A 57 57 ALA H H 57 7.283 7.525 -0.242 1 1 546 . 26 1 1 A 57 57 ALA HA H 57 3.618 4.158 -0.540 1 1 550 . 26 1 1 A 57 57 ALA C C 57 178.090 178.386 -0.296 1 1 551 . 26 1 1 A 57 57 ALA CA C 57 54.480 53.778 0.702 1 1 552 . 26 1 1 A 57 57 ALA CB C 57 17.760 18.702 -0.942 1 1 553 . 26 1 1 A 57 57 ALA N N 57 120.380 122.228 -1.848 1 1 554 . 26 1 1 A 58 58 GLY H H 58 9.052 9.327 -0.275 1 1 555 . 26 1 1 A 58 58 GLY HA2 H 58 4.449 4.016 0.433 1 1 556 . 26 1 1 A 58 58 GLY HA3 H 58 3.415 4.020 -0.605 1 1 557 . 26 1 1 A 58 58 GLY C C 58 174.610 174.297 0.313 1 1 558 . 26 1 1 A 58 58 GLY CA C 58 44.530 45.017 -0.487 1 1 559 . 26 1 1 A 58 58 GLY N N 58 112.180 110.550 1.630 1 1 560 . 26 1 1 A 59 59 ALA H H 59 8.171 7.568 0.603 1 1 561 . 26 1 1 A 59 59 ALA HA H 59 4.081 4.315 -0.234 1 1 565 . 26 1 1 A 59 59 ALA C C 59 175.220 176.532 -1.312 1 1 566 . 26 1 1 A 59 59 ALA CA C 59 53.170 51.773 1.397 1 1 567 . 26 1 1 A 59 59 ALA CB C 59 19.360 19.947 -0.587 1 1 568 . 26 1 1 A 59 59 ALA N N 59 124.650 123.745 0.905 1 1 569 . 26 1 1 A 60 60 ARG H H 60 7.751 8.846 -1.095 1 1 570 . 26 1 1 A 60 60 ARG HA H 60 5.105 5.189 -0.084 1 1 575 . 26 1 1 A 60 60 ARG C C 60 175.320 174.539 0.781 1 1 576 . 26 1 1 A 60 60 ARG CA C 60 54.150 54.249 -0.099 1 1 577 . 26 1 1 A 60 60 ARG CB C 60 34.130 33.549 0.581 1 1 578 . 26 1 1 A 60 60 ARG N N 60 116.920 118.897 -1.977 1 1 579 . 26 1 1 A 61 61 PHE H H 61 9.213 9.267 -0.054 1 1 580 . 26 1 1 A 61 61 PHE HA H 61 4.788 5.084 -0.296 1 1 587 . 26 1 1 A 61 61 PHE C C 61 173.930 174.481 -0.551 1 1 588 . 26 1 1 A 61 61 PHE CA C 61 56.500 56.499 0.001 1 1 589 . 26 1 1 A 61 61 PHE CB C 61 41.860 42.539 -0.679 1 1 590 . 26 1 1 A 61 61 PHE N N 61 121.090 120.352 0.738 1 1 591 . 26 1 1 A 62 62 LEU H H 62 8.638 9.035 -0.397 1 1 592 . 26 1 1 A 62 62 LEU HA H 62 4.566 4.953 -0.387 1 1 602 . 26 1 1 A 62 62 LEU C C 62 176.570 174.861 1.709 1 1 603 . 26 1 1 A 62 62 LEU CA C 62 55.130 54.100 1.030 1 1 604 . 26 1 1 A 62 62 LEU CB C 62 43.620 44.764 -1.144 1 1 605 . 26 1 1 A 62 62 LEU N N 62 125.630 125.265 0.365 1 1 606 . 26 1 1 A 63 63 LEU H H 63 8.929 9.703 -0.774 1 1 607 . 26 1 1 A 63 63 LEU HA H 63 4.852 4.800 0.052 1 1 617 . 26 1 1 A 63 63 LEU C C 63 175.070 177.155 -2.085 1 1 618 . 26 1 1 A 63 63 LEU CA C 63 53.170 54.431 -1.261 1 1 619 . 26 1 1 A 63 63 LEU CB C 63 42.110 42.126 -0.016 1 1 620 . 26 1 1 A 63 63 LEU N N 63 125.980 128.138 -2.158 1 1 621 . 26 1 1 A 64 64 ASP H H 64 8.601 8.854 -0.253 1 1 622 . 26 1 1 A 64 64 ASP HA H 64 4.736 5.094 -0.358 1 1 625 . 26 1 1 A 64 64 ASP C C 64 175.130 175.969 -0.839 1 1 626 . 26 1 1 A 64 64 ASP CA C 64 53.640 53.286 0.354 1 1 627 . 26 1 1 A 64 64 ASP CB C 64 41.020 41.909 -0.889 1 1 628 . 26 1 1 A 64 64 ASP N N 64 120.910 119.116 1.794 1 1 629 . 26 1 1 A 65 65 GLN H H 65 7.497 7.465 0.032 1 1 630 . 26 1 1 A 65 65 GLN HA H 65 4.856 4.707 0.149 1 1 637 . 26 1 1 A 65 65 GLN C C 65 173.550 175.595 -2.045 1 1 638 . 26 1 1 A 65 65 GLN CA C 65 52.780 53.557 -0.777 1 1 639 . 26 1 1 A 65 65 GLN N N 65 117.420 115.701 1.719 1 1 641 . 26 1 1 A 66 66 PRO HA H 66 4.190 5.084 -0.894 1 1 648 . 26 1 1 A 66 66 PRO C C 66 177.400 176.732 0.668 1 1 649 . 26 1 1 A 66 66 PRO CA C 66 66.810 64.953 1.857 1 1 650 . 26 1 1 A 66 66 PRO CB C 66 32.370 32.125 0.245 1 1 651 . 26 1 1 A 67 67 THR H H 67 7.647 7.519 0.128 1 1 652 . 26 1 1 A 67 67 THR HA H 67 4.811 5.091 -0.280 1 1 657 . 26 1 1 A 67 67 THR C C 67 173.280 173.064 0.216 1 1 658 . 26 1 1 A 67 67 THR CA C 67 62.830 61.186 1.644 1 1 659 . 26 1 1 A 67 67 THR CB C 67 71.740 71.587 0.153 1 1 660 . 26 1 1 A 67 67 THR N N 67 109.270 112.358 -3.088 1 1 661 . 26 1 1 A 68 68 THR H H 68 8.919 9.568 -0.649 1 1 662 . 26 1 1 A 68 68 THR HA H 68 4.968 5.222 -0.254 1 1 667 . 26 1 1 A 68 68 THR C C 68 175.090 173.587 1.503 1 1 668 . 26 1 1 A 68 68 THR CA C 68 61.820 61.677 0.143 1 1 669 . 26 1 1 A 68 68 THR CB C 68 70.730 70.700 0.030 1 1 670 . 26 1 1 A 68 68 THR N N 68 125.610 123.497 2.113 1 1 671 . 26 1 1 A 69 69 THR H H 69 10.398 9.479 0.919 1 1 672 . 26 1 1 A 69 69 THR HA H 69 4.491 5.155 -0.664 1 1 677 . 26 1 1 A 69 69 THR C C 69 173.140 173.918 -0.778 1 1 678 . 26 1 1 A 69 69 THR CA C 69 61.790 61.864 -0.074 1 1 679 . 26 1 1 A 69 69 THR CB C 69 70.820 69.992 0.828 1 1 680 . 26 1 1 A 69 69 THR N N 69 121.520 123.555 -2.035 1 1 681 . 26 1 1 A 70 70 ALA H H 70 8.722 8.737 -0.015 1 1 682 . 26 1 1 A 70 70 ALA HA H 70 5.696 5.575 0.121 1 1 686 . 26 1 1 A 70 70 ALA C C 70 175.840 175.752 0.088 1 1 687 . 26 1 1 A 70 70 ALA CA C 70 50.030 50.492 -0.462 1 1 688 . 26 1 1 A 70 70 ALA CB C 70 22.300 22.678 -0.378 1 1 689 . 26 1 1 A 70 70 ALA N N 70 122.410 128.691 -6.281 1 1 690 . 26 1 1 A 71 71 GLY H H 71 8.430 7.947 0.483 1 1 691 . 26 1 1 A 71 71 GLY HA2 H 71 4.474 4.063 0.411 1 1 692 . 26 1 1 A 71 71 GLY HA3 H 71 3.903 4.149 -0.246 1 1 693 . 26 1 1 A 71 71 GLY C C 71 170.540 171.622 -1.082 1 1 694 . 26 1 1 A 71 71 GLY CA C 71 46.300 44.379 1.921 1 1 695 . 26 1 1 A 71 71 GLY N N 71 108.960 108.041 0.919 1 1 696 . 26 1 1 A 72 72 ARG H H 72 8.341 8.823 -0.482 1 1 697 . 26 1 1 A 72 72 ARG HA H 72 4.481 4.742 -0.261 1 1 702 . 26 1 1 A 72 72 ARG C C 72 175.720 175.264 0.456 1 1 703 . 26 1 1 A 72 72 ARG CA C 72 54.800 55.246 -0.446 1 1 704 . 26 1 1 A 72 72 ARG CB C 72 32.540 32.032 0.508 1 1 705 . 26 1 1 A 72 72 ARG N N 72 120.930 121.233 -0.303 1 1 706 . 26 1 1 A 73 73 HIS H H 73 9.295 8.554 0.741 1 1 707 . 26 1 1 A 73 73 HIS HA H 73 4.403 4.966 -0.563 1 1 712 . 26 1 1 A 73 73 HIS C C 73 176.860 174.229 2.631 1 1 713 . 26 1 1 A 73 73 HIS CA C 73 57.050 55.406 1.644 1 1 714 . 26 1 1 A 73 73 HIS N N 73 125.290 124.789 0.501 1 1 715 . 26 1 1 A 74 74 PRO HA H 74 4.373 4.240 0.133 1 1 722 . 26 1 1 A 74 74 PRO C C 74 177.590 177.666 -0.076 1 1 723 . 26 1 1 A 74 74 PRO CA C 74 64.930 65.208 -0.278 1 1 724 . 26 1 1 A 74 74 PRO CB C 74 32.030 31.720 0.310 1 1 725 . 26 1 1 A 75 75 GLU H H 75 10.575 8.354 2.221 1 1 726 . 26 1 1 A 75 75 GLU HA H 75 4.352 4.543 -0.191 1 1 731 . 26 1 1 A 75 75 GLU C C 75 177.320 176.559 0.761 1 1 732 . 26 1 1 A 75 75 GLU CA C 75 56.070 56.188 -0.118 1 1 733 . 26 1 1 A 75 75 GLU CB C 75 29.010 30.097 -1.087 1 1 734 . 26 1 1 A 75 75 GLU N N 75 119.840 116.630 3.210 1 1 735 . 26 1 1 A 76 76 SER H H 76 8.236 7.506 0.730 1 1 736 . 26 1 1 A 76 76 SER HA H 76 4.100 4.288 -0.188 1 1 739 . 26 1 1 A 76 76 SER C C 76 173.120 173.754 -0.634 1 1 740 . 26 1 1 A 76 76 SER CA C 76 60.160 60.753 -0.593 1 1 741 . 26 1 1 A 76 76 SER CB C 76 65.530 63.501 2.029 1 1 742 . 26 1 1 A 76 76 SER N N 76 118.860 117.458 1.402 1 1 743 . 26 1 1 A 77 77 ASP H H 77 8.541 8.565 -0.024 1 1 744 . 26 1 1 A 77 77 ASP HA H 77 4.344 4.427 -0.083 1 1 747 . 26 1 1 A 77 77 ASP C C 77 177.590 176.100 1.490 1 1 748 . 26 1 1 A 77 77 ASP CA C 77 58.380 57.373 1.007 1 1 749 . 26 1 1 A 77 77 ASP CB C 77 42.110 42.172 -0.062 1 1 750 . 26 1 1 A 77 77 ASP N N 77 126.720 126.012 0.708 1 1 751 . 26 1 1 A 78 78 ILE H H 78 8.571 8.421 0.150 1 1 752 . 26 1 1 A 78 78 ILE HA H 78 3.563 3.675 -0.112 1 1 762 . 26 1 1 A 78 78 ILE C C 78 172.930 174.245 -1.315 1 1 763 . 26 1 1 A 78 78 ILE CA C 78 60.880 60.093 0.787 1 1 764 . 26 1 1 A 78 78 ILE CB C 78 37.410 37.699 -0.289 1 1 765 . 26 1 1 A 78 78 ILE N N 78 120.210 120.206 0.004 1 1 766 . 26 1 1 A 79 79 PHE H H 79 8.018 8.920 -0.902 1 1 767 . 26 1 1 A 79 79 PHE HA H 79 5.018 4.843 0.175 1 1 775 . 26 1 1 A 79 79 PHE C C 79 174.130 173.864 0.266 1 1 776 . 26 1 1 A 79 79 PHE CA C 79 55.780 56.357 -0.577 1 1 777 . 26 1 1 A 79 79 PHE CB C 79 39.170 40.153 -0.983 1 1 778 . 26 1 1 A 79 79 PHE N N 79 127.300 129.358 -2.058 1 1 779 . 26 1 1 A 80 80 LEU H H 80 7.695 8.302 -0.607 1 1 780 . 26 1 1 A 80 80 LEU HA H 80 3.619 4.713 -1.094 1 1 790 . 26 1 1 A 80 80 LEU C C 80 173.720 174.551 -0.831 1 1 791 . 26 1 1 A 80 80 LEU CA C 80 52.340 53.094 -0.754 1 1 792 . 26 1 1 A 80 80 LEU CB C 80 41.770 45.193 -3.423 1 1 793 . 26 1 1 A 80 80 LEU N N 80 131.810 128.260 3.550 1 1 794 . 26 1 1 A 81 81 ASP H H 81 7.974 9.016 -1.042 1 1 795 . 26 1 1 A 81 81 ASP HA H 81 4.141 5.129 -0.988 1 1 798 . 26 1 1 A 81 81 ASP C C 81 175.130 175.431 -0.301 1 1 799 . 26 1 1 A 81 81 ASP CA C 81 53.210 52.768 0.442 1 1 800 . 26 1 1 A 81 81 ASP CB C 81 39.930 42.850 -2.920 1 1 801 . 26 1 1 A 81 81 ASP N N 81 121.130 124.316 -3.186 1 1 802 . 26 1 1 A 82 82 ASP H H 82 7.583 8.620 -1.037 1 1 803 . 26 1 1 A 82 82 ASP HA H 82 4.859 5.177 -0.318 1 1 806 . 26 1 1 A 82 82 ASP C C 82 176.760 177.471 -0.711 1 1 807 . 26 1 1 A 82 82 ASP CA C 82 54.980 51.769 3.211 1 1 808 . 26 1 1 A 82 82 ASP CB C 82 39.170 42.409 -3.239 1 1 809 . 26 1 1 A 82 82 ASP N N 82 121.540 126.079 -4.539 1 1 810 . 26 1 1 A 83 83 VAL H H 83 8.344 8.494 -0.150 1 1 811 . 26 1 1 A 83 83 VAL HA H 83 4.012 3.932 0.080 1 1 819 . 26 1 1 A 83 83 VAL C C 83 174.860 175.743 -0.883 1 1 820 . 26 1 1 A 83 83 VAL CA C 83 65.330 65.313 0.017 1 1 821 . 26 1 1 A 83 83 VAL CB C 83 31.530 32.474 -0.944 1 1 822 . 26 1 1 A 83 83 VAL N N 83 122.260 119.220 3.040 1 1 823 . 26 1 1 A 84 84 THR H H 84 8.268 8.023 0.245 1 1 824 . 26 1 1 A 84 84 THR HA H 84 4.540 4.734 -0.194 1 1 828 . 26 1 1 A 84 84 THR C C 84 175.360 172.629 2.731 1 1 829 . 26 1 1 A 84 84 THR CA C 84 63.810 59.452 4.358 1 1 830 . 26 1 1 A 84 84 THR CB C 84 70.900 70.782 0.118 1 1 831 . 26 1 1 A 84 84 THR N N 84 110.620 113.745 -3.125 1 1 832 . 26 1 1 A 85 85 VAL H H 85 8.579 8.671 -0.092 1 1 833 . 26 1 1 A 85 85 VAL HA H 85 4.254 4.478 -0.224 1 1 841 . 26 1 1 A 85 85 VAL C C 85 177.070 174.158 2.912 1 1 842 . 26 1 1 A 85 85 VAL CA C 85 61.930 61.561 0.369 1 1 843 . 26 1 1 A 85 85 VAL CB C 85 32.450 31.694 0.756 1 1 844 . 26 1 1 A 85 85 VAL N N 85 126.860 122.449 4.411 1 1 845 . 26 1 1 A 86 86 SER H H 86 11.668 8.868 2.800 1 1 846 . 26 1 1 A 86 86 SER HA H 86 5.203 4.656 0.547 1 1 849 . 26 1 1 A 86 86 SER C C 86 175.470 175.103 0.367 1 1 850 . 26 1 1 A 86 86 SER CA C 86 61.600 57.069 4.531 1 1 851 . 26 1 1 A 86 86 SER CB C 86 64.270 62.411 1.859 1 1 852 . 26 1 1 A 86 86 SER N N 86 128.670 123.396 5.274 1 1 853 . 26 1 1 A 87 87 ARG H H 87 10.946 8.210 2.736 1 1 854 . 26 1 1 A 87 87 ARG HA H 87 5.179 4.401 0.778 1 1 862 . 26 1 1 A 87 87 ARG C C 87 177.110 176.130 0.980 1 1 863 . 26 1 1 A 87 87 ARG CA C 87 60.810 58.686 2.124 1 1 864 . 26 1 1 A 87 87 ARG CB C 87 29.010 30.012 -1.002 1 1 865 . 26 1 1 A 87 87 ARG N N 87 126.810 126.099 0.711 1 1 867 . 26 1 1 A 88 88 ARG H H 88 7.946 7.848 0.098 1 1 868 . 26 1 1 A 88 88 ARG HA H 88 4.459 4.590 -0.131 1 1 876 . 26 1 1 A 88 88 ARG C C 88 172.990 175.542 -2.552 1 1 877 . 26 1 1 A 88 88 ARG CA C 88 55.060 54.707 0.353 1 1 878 . 26 1 1 A 88 88 ARG CB C 88 29.770 32.754 -2.984 1 1 879 . 26 1 1 A 88 88 ARG N N 88 115.670 119.078 -3.408 1 1 881 . 26 1 1 A 89 89 HIS H H 89 7.613 8.736 -1.123 1 1 882 . 26 1 1 A 89 89 HIS HA H 89 4.437 4.536 -0.099 1 1 888 . 26 1 1 A 89 89 HIS C C 89 174.050 174.822 -0.772 1 1 889 . 26 1 1 A 89 89 HIS CA C 89 58.420 58.000 0.420 1 1 890 . 26 1 1 A 89 89 HIS CB C 89 32.620 31.781 0.839 1 1 891 . 26 1 1 A 89 89 HIS N N 89 124.000 124.978 -0.978 1 1 893 . 26 1 1 A 90 90 ALA H H 90 8.454 7.551 0.903 1 1 894 . 26 1 1 A 90 90 ALA HA H 90 5.529 4.770 0.759 1 1 898 . 26 1 1 A 90 90 ALA C C 90 176.260 174.772 1.488 1 1 899 . 26 1 1 A 90 90 ALA CA C 90 50.240 51.324 -1.084 1 1 900 . 26 1 1 A 90 90 ALA CB C 90 23.220 23.021 0.199 1 1 901 . 26 1 1 A 90 90 ALA N N 90 116.480 118.172 -1.692 1 1 902 . 26 1 1 A 91 91 GLU H H 91 9.216 9.312 -0.096 1 1 903 . 26 1 1 A 91 91 GLU HA H 91 4.931 5.168 -0.237 1 1 908 . 26 1 1 A 91 91 GLU C C 91 173.910 175.039 -1.129 1 1 909 . 26 1 1 A 91 91 GLU CA C 91 54.690 55.097 -0.407 1 1 910 . 26 1 1 A 91 91 GLU CB C 91 34.720 33.466 1.254 1 1 911 . 26 1 1 A 91 91 GLU N N 91 118.140 121.278 -3.138 1 1 912 . 26 1 1 A 92 92 PHE H H 92 9.330 9.678 -0.348 1 1 913 . 26 1 1 A 92 92 PHE HA H 92 5.502 5.290 0.212 1 1 921 . 26 1 1 A 92 92 PHE C C 92 176.650 174.663 1.987 1 1 922 . 26 1 1 A 92 92 PHE CA C 92 56.760 56.541 0.219 1 1 923 . 26 1 1 A 92 92 PHE CB C 92 41.690 40.443 1.247 1 1 924 . 26 1 1 A 92 92 PHE N N 92 119.490 126.473 -6.983 1 1 925 . 26 1 1 A 93 93 ARG H H 93 9.846 9.094 0.752 1 1 926 . 26 1 1 A 93 93 ARG HA H 93 5.610 5.182 0.428 1 1 934 . 26 1 1 A 93 93 ARG C C 93 175.010 175.154 -0.144 1 1 935 . 26 1 1 A 93 93 ARG CA C 93 54.580 54.813 -0.233 1 1 936 . 26 1 1 A 93 93 ARG CB C 93 34.220 33.215 1.005 1 1 937 . 26 1 1 A 93 93 ARG N N 93 127.300 123.960 3.340 1 1 939 . 26 1 1 A 94 94 ILE H H 94 8.521 9.319 -0.798 1 1 940 . 26 1 1 A 94 94 ILE HA H 94 4.410 5.144 -0.734 1 1 950 . 26 1 1 A 94 94 ILE C C 94 176.420 174.620 1.800 1 1 951 . 26 1 1 A 94 94 ILE CA C 94 61.130 60.304 0.826 1 1 952 . 26 1 1 A 94 94 ILE CB C 94 38.830 39.468 -0.638 1 1 953 . 26 1 1 A 94 94 ILE N N 94 121.680 124.573 -2.893 1 1 954 . 26 1 1 A 95 95 ASN H H 95 8.847 8.999 -0.152 1 1 955 . 26 1 1 A 95 95 ASN HA H 95 4.796 5.057 -0.261 1 1 960 . 26 1 1 A 95 95 ASN C C 95 174.430 174.809 -0.379 1 1 961 . 26 1 1 A 95 95 ASN CA C 95 52.560 52.404 0.156 1 1 962 . 26 1 1 A 95 95 ASN CB C 95 40.510 40.873 -0.363 1 1 963 . 26 1 1 A 95 95 ASN N N 95 127.100 124.828 2.272 1 1 965 . 26 1 1 A 96 96 GLU H H 96 9.303 9.394 -0.091 1 1 966 . 26 1 1 A 96 96 GLU HA H 96 3.768 3.927 -0.159 1 1 971 . 26 1 1 A 96 96 GLU C C 96 176.280 175.540 0.740 1 1 972 . 26 1 1 A 96 96 GLU CA C 96 57.150 57.320 -0.170 1 1 973 . 26 1 1 A 96 96 GLU CB C 96 27.590 28.372 -0.782 1 1 974 . 26 1 1 A 96 96 GLU N N 96 125.150 126.449 -1.299 1 1 975 . 26 1 1 A 97 97 GLY H H 97 7.937 8.432 -0.495 1 1 976 . 26 1 1 A 97 97 GLY HA2 H 97 4.042 3.642 0.400 1 1 977 . 26 1 1 A 97 97 GLY HA3 H 97 3.450 3.772 -0.322 1 1 978 . 26 1 1 A 97 97 GLY C C 97 172.990 173.531 -0.541 1 1 979 . 26 1 1 A 97 97 GLY CA C 97 45.390 45.171 0.219 1 1 980 . 26 1 1 A 97 97 GLY N N 97 104.330 105.083 -0.753 1 1 981 . 26 1 1 A 98 98 GLU H H 98 7.557 7.718 -0.161 1 1 982 . 26 1 1 A 98 98 GLU HA H 98 4.591 4.598 -0.007 1 1 987 . 26 1 1 A 98 98 GLU C C 98 174.530 175.775 -1.245 1 1 988 . 26 1 1 A 98 98 GLU CA C 98 54.770 55.582 -0.812 1 1 989 . 26 1 1 A 98 98 GLU CB C 98 32.290 31.132 1.158 1 1 990 . 26 1 1 A 98 98 GLU N N 98 119.350 119.948 -0.598 1 1 991 . 26 1 1 A 99 99 PHE H H 99 9.412 9.148 0.264 1 1 992 . 26 1 1 A 99 99 PHE HA H 99 5.007 5.269 -0.262 1 1 999 . 26 1 1 A 99 99 PHE C C 99 174.050 175.292 -1.242 1 1 1000 . 26 1 1 A 99 99 PHE CA C 99 57.260 56.901 0.359 1 1 1001 . 26 1 1 A 99 99 PHE CB C 99 42.110 40.927 1.183 1 1 1002 . 26 1 1 A 99 99 PHE N N 99 122.550 122.303 0.247 1 1 1003 . 26 1 1 A 100 100 GLU H H 100 9.444 9.511 -0.067 1 1 1004 . 26 1 1 A 100 100 GLU HA H 100 5.145 5.047 0.098 1 1 1009 . 26 1 1 A 100 100 GLU C C 100 175.340 174.688 0.652 1 1 1010 . 26 1 1 A 100 100 GLU CA C 100 54.080 54.606 -0.526 1 1 1011 . 26 1 1 A 100 100 GLU CB C 100 34.720 33.227 1.493 1 1 1012 . 26 1 1 A 100 100 GLU N N 100 124.080 120.539 3.541 1 1 1013 . 26 1 1 A 101 101 VAL H H 101 8.726 9.097 -0.371 1 1 1014 . 26 1 1 A 101 101 VAL HA H 101 4.900 4.391 0.509 1 1 1022 . 26 1 1 A 101 101 VAL C C 101 172.510 175.247 -2.737 1 1 1023 . 26 1 1 A 101 101 VAL CA C 101 58.710 60.911 -2.201 1 1 1024 . 26 1 1 A 101 101 VAL CB C 101 33.550 32.976 0.574 1 1 1025 . 26 1 1 A 101 101 VAL N N 101 124.500 123.588 0.912 1 1 1026 . 26 1 1 A 102 102 VAL H H 102 8.719 9.115 -0.396 1 1 1027 . 26 1 1 A 102 102 VAL HA H 102 4.578 4.796 -0.218 1 1 1035 . 26 1 1 A 102 102 VAL C C 102 175.380 173.998 1.382 1 1 1036 . 26 1 1 A 102 102 VAL CA C 102 60.370 59.324 1.046 1 1 1037 . 26 1 1 A 102 102 VAL CB C 102 36.060 34.673 1.387 1 1 1038 . 26 1 1 A 102 102 VAL N N 102 125.900 121.684 4.216 1 1 1039 . 26 1 1 A 103 103 ASP H H 103 8.626 9.450 -0.824 1 1 1040 . 26 1 1 A 103 103 ASP HA H 103 4.856 4.644 0.212 1 1 1043 . 26 1 1 A 103 103 ASP C C 103 177.300 176.858 0.442 1 1 1044 . 26 1 1 A 103 103 ASP CA C 103 54.580 54.324 0.256 1 1 1045 . 26 1 1 A 103 103 ASP CB C 103 44.210 41.283 2.927 1 1 1046 . 26 1 1 A 103 103 ASP N N 103 127.250 126.223 1.027 1 1 1047 . 26 1 1 A 104 104 VAL H H 104 7.890 8.881 -0.991 1 1 1048 . 26 1 1 A 104 104 VAL HA H 104 4.527 4.478 0.049 1 1 1056 . 26 1 1 A 104 104 VAL C C 104 174.490 175.452 -0.962 1 1 1057 . 26 1 1 A 104 104 VAL CA C 104 60.630 60.724 -0.094 1 1 1058 . 26 1 1 A 104 104 VAL CB C 104 29.350 32.882 -3.532 1 1 1059 . 26 1 1 A 104 104 VAL N N 104 119.270 120.391 -1.121 1 1 1060 . 26 1 1 A 105 105 GLY H H 105 8.690 6.869 1.821 1 1 1061 . 26 1 1 A 105 105 GLY HA2 H 105 4.270 3.889 0.381 1 1 1062 . 26 1 1 A 105 105 GLY HA3 H 105 3.685 3.931 -0.246 1 1 1063 . 26 1 1 A 105 105 GLY C C 105 175.490 173.160 2.330 1 1 1064 . 26 1 1 A 105 105 GLY CA C 105 45.650 45.452 0.198 1 1 1065 . 26 1 1 A 105 105 GLY N N 105 111.790 110.337 1.453 1 1 1066 . 26 1 1 A 106 106 SER H H 106 9.218 8.520 0.698 1 1 1067 . 26 1 1 A 106 106 SER HA H 106 3.894 4.276 -0.382 1 1 1070 . 26 1 1 A 106 106 SER C C 106 174.590 174.339 0.251 1 1 1071 . 26 1 1 A 106 106 SER CA C 106 58.600 57.669 0.931 1 1 1072 . 26 1 1 A 106 106 SER CB C 106 61.250 61.490 -0.240 1 1 1073 . 26 1 1 A 106 106 SER N N 106 121.540 118.727 2.813 1 1 1074 . 26 1 1 A 107 107 LEU H H 107 8.018 7.996 0.022 1 1 1075 . 26 1 1 A 107 107 LEU HA H 107 4.240 4.290 -0.050 1 1 1085 . 26 1 1 A 107 107 LEU C C 107 179.420 177.855 1.565 1 1 1086 . 26 1 1 A 107 107 LEU CA C 107 57.590 56.887 0.703 1 1 1087 . 26 1 1 A 107 107 LEU CB C 107 42.360 42.717 -0.357 1 1 1088 . 26 1 1 A 107 107 LEU N N 107 121.520 124.233 -2.713 1 1 1089 . 26 1 1 A 108 108 ASN H H 108 8.799 7.829 0.970 1 1 1090 . 26 1 1 A 108 108 ASN HA H 108 4.986 4.437 0.549 1 1 1093 . 26 1 1 A 108 108 ASN C C 108 175.950 175.711 0.239 1 1 1094 . 26 1 1 A 108 108 ASN CA C 108 54.440 53.168 1.272 1 1 1095 . 26 1 1 A 108 108 ASN CB C 108 41.180 39.612 1.568 1 1 1096 . 26 1 1 A 108 108 ASN N N 108 111.800 115.263 -3.463 1 1 1097 . 26 1 1 A 109 109 GLY H H 109 8.025 7.913 0.112 1 1 1098 . 26 1 1 A 109 109 GLY HA2 H 109 4.237 3.742 0.495 1 1 1099 . 26 1 1 A 109 109 GLY HA3 H 109 3.621 3.895 -0.274 1 1 1100 . 26 1 1 A 109 109 GLY C C 109 173.820 173.398 0.422 1 1 1101 . 26 1 1 A 109 109 GLY CA C 109 44.340 44.857 -0.517 1 1 1102 . 26 1 1 A 109 109 GLY N N 109 110.600 106.610 3.990 1 1 1103 . 26 1 1 A 110 110 THR H H 110 8.770 8.584 0.186 1 1 1104 . 26 1 1 A 110 110 THR HA H 110 4.797 4.711 0.086 1 1 1109 . 26 1 1 A 110 110 THR C C 110 172.570 173.565 -0.995 1 1 1110 . 26 1 1 A 110 110 THR CA C 110 64.540 63.132 1.408 1 1 1111 . 26 1 1 A 110 110 THR CB C 110 70.230 69.322 0.908 1 1 1112 . 26 1 1 A 110 110 THR N N 110 121.240 119.074 2.166 1 1 1113 . 26 1 1 A 111 111 TYR H H 111 8.272 9.282 -1.010 1 1 1114 . 26 1 1 A 111 111 TYR HA H 111 5.155 5.479 -0.324 1 1 1121 . 26 1 1 A 111 111 TYR C C 111 175.860 175.165 0.695 1 1 1122 . 26 1 1 A 111 111 TYR CA C 111 55.820 56.567 -0.747 1 1 1123 . 26 1 1 A 111 111 TYR CB C 111 41.100 42.719 -1.619 1 1 1124 . 26 1 1 A 111 111 TYR N N 111 123.680 125.019 -1.339 1 1 1125 . 26 1 1 A 112 112 VAL H H 112 9.017 9.297 -0.280 1 1 1126 . 26 1 1 A 112 112 VAL HA H 112 4.951 4.648 0.303 1 1 1134 . 26 1 1 A 112 112 VAL C C 112 176.780 176.124 0.656 1 1 1135 . 26 1 1 A 112 112 VAL CA C 112 61.130 61.161 -0.031 1 1 1136 . 26 1 1 A 112 112 VAL CB C 112 32.870 34.474 -1.604 1 1 1137 . 26 1 1 A 112 112 VAL N N 112 121.300 122.781 -1.481 1 1 1138 . 26 1 1 A 113 113 ASN H H 113 10.285 9.723 0.562 1 1 1139 . 26 1 1 A 113 113 ASN HA H 113 4.483 4.457 0.026 1 1 1144 . 26 1 1 A 113 113 ASN C C 113 174.590 174.418 0.172 1 1 1145 . 26 1 1 A 113 113 ASN CA C 113 55.160 54.752 0.408 1 1 1146 . 26 1 1 A 113 113 ASN CB C 113 37.240 36.879 0.361 1 1 1147 . 26 1 1 A 113 113 ASN N N 113 129.510 128.103 1.407 1 1 1149 . 26 1 1 A 114 114 ARG H H 114 9.459 8.609 0.850 1 1 1150 . 26 1 1 A 114 114 ARG HA H 114 3.659 3.834 -0.175 1 1 1158 . 26 1 1 A 114 114 ARG C C 114 174.900 174.550 0.350 1 1 1159 . 26 1 1 A 114 114 ARG CA C 114 58.280 57.671 0.609 1 1 1160 . 26 1 1 A 114 114 ARG CB C 114 27.250 27.507 -0.257 1 1 1161 . 26 1 1 A 114 114 ARG N N 114 106.570 108.978 -2.408 1 1 1163 . 26 1 1 A 115 115 GLU H H 115 7.827 8.017 -0.190 1 1 1164 . 26 1 1 A 115 115 GLU HA H 115 5.153 4.864 0.289 1 1 1169 . 26 1 1 A 115 115 GLU C C 115 173.950 174.401 -0.451 1 1 1170 . 26 1 1 A 115 115 GLU CA C 115 52.990 52.983 0.007 1 1 1171 . 26 1 1 A 115 115 GLU N N 115 119.780 118.412 1.368 1 1 1172 . 26 1 1 A 116 116 PRO HA H 116 3.983 4.607 -0.624 1 1 1177 . 26 1 1 A 116 116 PRO C C 116 177.780 175.917 1.863 1 1 1178 . 26 1 1 A 116 116 PRO CA C 116 62.910 63.401 -0.491 1 1 1179 . 26 1 1 A 116 116 PRO CB C 116 31.200 31.926 -0.726 1 1 1180 . 26 1 1 A 117 117 ARG H H 117 8.414 8.769 -0.355 1 1 1181 . 26 1 1 A 117 117 ARG HA H 117 4.699 4.763 -0.064 1 1 1189 . 26 1 1 A 117 117 ARG C C 117 175.260 176.034 -0.774 1 1 1190 . 26 1 1 A 117 117 ARG CA C 117 52.990 54.322 -1.332 1 1 1191 . 26 1 1 A 117 117 ARG CB C 117 24.560 33.813 -9.253 1 1 1192 . 26 1 1 A 117 117 ARG N N 117 121.900 123.754 -1.854 1 1 1194 . 26 1 1 A 118 118 ASN H H 118 8.741 9.078 -0.337 1 1 1195 . 26 1 1 A 118 118 ASN HA H 118 4.731 4.812 -0.081 1 1 1200 . 26 1 1 A 118 118 ASN C C 118 175.220 174.213 1.007 1 1 1201 . 26 1 1 A 118 118 ASN CA C 118 55.090 54.306 0.784 1 1 1202 . 26 1 1 A 118 118 ASN CB C 118 38.920 41.327 -2.407 1 1 1203 . 26 1 1 A 118 118 ASN N N 118 120.190 120.592 -0.402 1 1 1205 . 26 1 1 A 119 119 ALA H H 119 7.372 7.610 -0.238 1 1 1206 . 26 1 1 A 119 119 ALA HA H 119 5.319 4.896 0.423 1 1 1210 . 26 1 1 A 119 119 ALA C C 119 176.720 175.134 1.586 1 1 1211 . 26 1 1 A 119 119 ALA CA C 119 52.120 51.559 0.561 1 1 1212 . 26 1 1 A 119 119 ALA CB C 119 21.460 22.153 -0.693 1 1 1213 . 26 1 1 A 119 119 ALA N N 119 120.380 118.740 1.640 1 1 1214 . 26 1 1 A 120 120 GLN H H 120 8.787 8.842 -0.055 1 1 1215 . 26 1 1 A 120 120 GLN HA H 120 4.505 4.611 -0.106 1 1 1222 . 26 1 1 A 120 120 GLN C C 120 174.380 173.960 0.420 1 1 1223 . 26 1 1 A 120 120 GLN CA C 120 56.030 55.001 1.029 1 1 1224 . 26 1 1 A 120 120 GLN CB C 120 32.790 32.863 -0.073 1 1 1225 . 26 1 1 A 120 120 GLN N N 120 121.180 121.881 -0.701 1 1 1227 . 26 1 1 A 121 121 VAL H H 121 8.692 8.737 -0.045 1 1 1228 . 26 1 1 A 121 121 VAL HA H 121 4.258 4.326 -0.068 1 1 1236 . 26 1 1 A 121 121 VAL C C 121 176.510 174.926 1.584 1 1 1237 . 26 1 1 A 121 121 VAL CA C 121 64.140 62.225 1.915 1 1 1238 . 26 1 1 A 121 121 VAL CB C 121 31.700 32.253 -0.553 1 1 1239 . 26 1 1 A 121 121 VAL N N 121 129.930 126.422 3.508 1 1 1240 . 26 1 1 A 122 122 MET H H 122 8.924 9.228 -0.304 1 1 1241 . 26 1 1 A 122 122 MET HA H 122 4.419 4.786 -0.367 1 1 1249 . 26 1 1 A 122 122 MET C C 122 174.380 175.581 -1.201 1 1 1250 . 26 1 1 A 122 122 MET CA C 122 55.740 54.412 1.328 1 1 1251 . 26 1 1 A 122 122 MET CB C 122 35.140 33.864 1.276 1 1 1252 . 26 1 1 A 122 122 MET N N 122 129.560 127.601 1.959 1 1 1253 . 26 1 1 A 123 123 GLN H H 123 9.002 9.133 -0.131 1 1 1254 . 26 1 1 A 123 123 GLN HA H 123 4.823 4.996 -0.173 1 1 1261 . 26 1 1 A 123 123 GLN C C 123 175.530 175.675 -0.145 1 1 1262 . 26 1 1 A 123 123 GLN CA C 123 53.570 54.714 -1.144 1 1 1263 . 26 1 1 A 123 123 GLN CB C 123 32.290 32.138 0.152 1 1 1264 . 26 1 1 A 123 123 GLN N N 123 119.810 125.366 -5.556 1 1 1266 . 26 1 1 A 124 124 THR H H 124 9.036 8.664 0.372 1 1 1267 . 26 1 1 A 124 124 THR HA H 124 4.208 4.298 -0.090 1 1 1272 . 26 1 1 A 124 124 THR C C 124 175.300 175.020 0.280 1 1 1273 . 26 1 1 A 124 124 THR CA C 124 65.510 62.827 2.683 1 1 1274 . 26 1 1 A 124 124 THR CB C 124 69.560 68.501 1.059 1 1 1275 . 26 1 1 A 124 124 THR N N 124 119.570 115.460 4.110 1 1 1276 . 26 1 1 A 125 125 GLY H H 125 9.921 9.414 0.507 1 1 1277 . 26 1 1 A 125 125 GLY HA2 H 125 4.552 4.020 0.532 1 1 1278 . 26 1 1 A 125 125 GLY HA3 H 125 3.480 4.027 -0.547 1 1 1279 . 26 1 1 A 125 125 GLY C C 125 174.650 174.340 0.310 1 1 1280 . 26 1 1 A 125 125 GLY CA C 125 44.710 44.930 -0.220 1 1 1281 . 26 1 1 A 125 125 GLY N N 125 117.920 114.143 3.777 1 1 1282 . 26 1 1 A 126 126 ASP H H 126 8.638 7.725 0.913 1 1 1283 . 26 1 1 A 126 126 ASP HA H 126 4.876 4.843 0.033 1 1 1286 . 26 1 1 A 126 126 ASP C C 126 174.650 175.674 -1.024 1 1 1287 . 26 1 1 A 126 126 ASP CA C 126 56.140 53.930 2.210 1 1 1288 . 26 1 1 A 126 126 ASP CB C 126 41.690 42.159 -0.469 1 1 1289 . 26 1 1 A 126 126 ASP N N 126 123.190 121.170 2.020 1 1 1290 . 26 1 1 A 127 127 GLU H H 127 8.316 9.001 -0.685 1 1 1291 . 26 1 1 A 127 127 GLU HA H 127 5.341 5.105 0.236 1 1 1296 . 26 1 1 A 127 127 GLU C C 127 175.990 175.524 0.466 1 1 1297 . 26 1 1 A 127 127 GLU CA C 127 54.440 55.150 -0.710 1 1 1298 . 26 1 1 A 127 127 GLU CB C 127 32.790 31.988 0.802 1 1 1299 . 26 1 1 A 127 127 GLU N N 127 118.480 118.540 -0.060 1 1 1300 . 26 1 1 A 128 128 ILE H H 128 9.910 9.518 0.392 1 1 1301 . 26 1 1 A 128 128 ILE HA H 128 5.334 4.985 0.349 1 1 1311 . 26 1 1 A 128 128 ILE C C 128 174.700 174.470 0.230 1 1 1312 . 26 1 1 A 128 128 ILE CA C 128 59.470 60.131 -0.661 1 1 1313 . 26 1 1 A 128 128 ILE CB C 128 40.600 40.578 0.022 1 1 1314 . 26 1 1 A 128 128 ILE N N 128 128.810 125.998 2.812 1 1 1315 . 26 1 1 A 129 129 GLN H H 129 9.502 9.610 -0.108 1 1 1316 . 26 1 1 A 129 129 GLN HA H 129 5.406 5.353 0.053 1 1 1323 . 26 1 1 A 129 129 GLN C C 129 174.950 174.599 0.351 1 1 1324 . 26 1 1 A 129 129 GLN CA C 129 54.800 54.163 0.637 1 1 1325 . 26 1 1 A 129 129 GLN CB C 129 30.690 32.032 -1.342 1 1 1326 . 26 1 1 A 129 129 GLN N N 129 129.270 127.900 1.370 1 1 1328 . 26 1 1 A 130 130 ILE H H 130 8.498 8.665 -0.167 1 1 1329 . 26 1 1 A 130 130 ILE HA H 130 4.116 4.658 -0.542 1 1 1339 . 26 1 1 A 130 130 ILE C C 130 174.860 176.320 -1.460 1 1 1340 . 26 1 1 A 130 130 ILE CA C 130 60.740 60.064 0.676 1 1 1341 . 26 1 1 A 130 130 ILE CB C 130 41.440 38.630 2.810 1 1 1342 . 26 1 1 A 130 130 ILE N N 130 129.070 127.856 1.214 1 1 1343 . 26 1 1 A 131 131 GLY H H 131 9.924 9.299 0.625 1 1 1344 . 26 1 1 A 131 131 GLY HA2 H 131 3.768 3.929 -0.161 1 1 1345 . 26 1 1 A 131 131 GLY HA3 H 131 3.337 4.026 -0.689 1 1 1346 . 26 1 1 A 131 131 GLY C C 131 174.590 174.834 -0.244 1 1 1347 . 26 1 1 A 131 131 GLY CA C 131 46.700 47.492 -0.792 1 1 1348 . 26 1 1 A 131 131 GLY N N 131 116.470 118.413 -1.943 1 1 1349 . 26 1 1 A 132 132 LYS H H 132 7.141 8.676 -1.535 1 1 1350 . 26 1 1 A 132 132 LYS HA H 132 3.750 4.348 -0.598 1 1 1357 . 26 1 1 A 132 132 LYS C C 132 175.820 176.302 -0.482 1 1 1358 . 26 1 1 A 132 132 LYS CA C 132 57.550 55.967 1.583 1 1 1359 . 26 1 1 A 132 132 LYS CB C 132 33.300 32.830 0.470 1 1 1360 . 26 1 1 A 132 132 LYS N N 132 122.960 126.192 -3.232 1 1 1361 . 26 1 1 A 133 133 PHE H H 133 8.360 8.245 0.115 1 1 1362 . 26 1 1 A 133 133 PHE HA H 133 4.601 4.883 -0.282 1 1 1370 . 26 1 1 A 133 133 PHE C C 133 174.910 176.234 -1.324 1 1 1371 . 26 1 1 A 133 133 PHE CA C 133 58.600 57.752 0.848 1 1 1372 . 26 1 1 A 133 133 PHE CB C 133 40.510 40.516 -0.006 1 1 1373 . 26 1 1 A 133 133 PHE N N 133 118.170 119.603 -1.433 1 1 1374 . 26 1 1 A 134 134 ARG H H 134 8.698 8.908 -0.210 1 1 1375 . 26 1 1 A 134 134 ARG HA H 134 5.212 5.311 -0.099 1 1 1383 . 26 1 1 A 134 134 ARG C C 134 175.150 174.990 0.160 1 1 1384 . 26 1 1 A 134 134 ARG CA C 134 55.060 54.967 0.093 1 1 1385 . 26 1 1 A 134 134 ARG CB C 134 33.550 32.955 0.595 1 1 1386 . 26 1 1 A 134 134 ARG N N 134 120.770 120.128 0.642 1 1 1388 . 26 1 1 A 135 135 LEU H H 135 9.904 9.614 0.290 1 1 1389 . 26 1 1 A 135 135 LEU HA H 135 5.544 5.453 0.091 1 1 1399 . 26 1 1 A 135 135 LEU C C 135 175.260 175.399 -0.139 1 1 1400 . 26 1 1 A 135 135 LEU CA C 135 53.930 53.746 0.184 1 1 1401 . 26 1 1 A 135 135 LEU CB C 135 45.550 44.879 0.671 1 1 1402 . 26 1 1 A 135 135 LEU N N 135 127.130 125.270 1.860 1 1 1403 . 26 1 1 A 136 136 VAL H H 136 9.350 9.376 -0.026 1 1 1404 . 26 1 1 A 136 136 VAL HA H 136 5.226 4.770 0.456 1 1 1412 . 26 1 1 A 136 136 VAL C C 136 174.050 174.290 -0.240 1 1 1413 . 26 1 1 A 136 136 VAL CA C 136 60.520 60.537 -0.017 1 1 1414 . 26 1 1 A 136 136 VAL CB C 136 34.890 33.822 1.068 1 1 1415 . 26 1 1 A 136 136 VAL N N 136 121.300 125.442 -4.142 1 1 1416 . 26 1 1 A 137 137 PHE H H 137 8.492 8.941 -0.449 1 1 1417 . 26 1 1 A 137 137 PHE HA H 137 5.007 4.739 0.268 1 1 1424 . 26 1 1 A 137 137 PHE C C 137 173.340 173.989 -0.649 1 1 1425 . 26 1 1 A 137 137 PHE CA C 137 57.010 56.591 0.419 1 1 1426 . 26 1 1 A 137 137 PHE CB C 137 41.770 39.954 1.816 1 1 1427 . 26 1 1 A 137 137 PHE N N 137 127.550 128.417 -0.867 1 1 1428 . 26 1 1 A 138 138 LEU H H 138 8.535 9.212 -0.677 1 1 1429 . 26 1 1 A 138 138 LEU HA H 138 4.345 4.930 -0.585 1 1 1439 . 26 1 1 A 138 138 LEU C C 138 173.390 175.611 -2.221 1 1 1440 . 26 1 1 A 138 138 LEU CA C 138 53.680 53.016 0.664 1 1 1441 . 26 1 1 A 138 138 LEU CB C 138 45.210 44.949 0.261 1 1 1442 . 26 1 1 A 138 138 LEU N N 138 128.590 129.364 -0.774 1 1 1443 . 26 1 1 A 139 139 ALA H H 139 7.502 8.465 -0.963 1 1 1444 . 26 1 1 A 139 139 ALA HA H 139 3.952 4.108 -0.156 1 1 1448 . 26 1 1 A 139 139 ALA C C 139 178.010 177.492 0.518 1 1 1449 . 26 1 1 A 139 139 ALA CA C 139 51.650 51.677 -0.027 1 1 1450 . 26 1 1 A 139 139 ALA CB C 139 20.700 19.122 1.578 1 1 1451 . 26 1 1 A 139 139 ALA N N 139 123.250 126.694 -3.444 1 1 1452 . 26 1 1 A 140 140 GLY H H 140 7.968 8.638 -0.670 1 1 1453 . 26 1 1 A 140 140 GLY HA2 H 140 4.202 3.944 0.258 1 1 1454 . 26 1 1 A 140 140 GLY HA3 H 140 3.595 3.963 -0.368 1 1 1455 . 26 1 1 A 140 140 GLY C C 140 171.240 173.509 -2.269 1 1 1456 . 26 1 1 A 140 140 GLY CA C 140 44.710 45.141 -0.431 1 1 1457 . 26 1 1 A 140 140 GLY N N 140 108.040 109.473 -1.433 1 1 1458 . 26 1 1 A 141 141 PRO HA H 141 4.460 4.465 -0.005 1 1 1463 . 26 1 1 A 141 141 PRO C C 141 176.150 176.392 -0.242 1 1 1464 . 26 1 1 A 141 141 PRO CA C 141 63.230 62.741 0.489 1 1 1465 . 26 1 1 A 141 141 PRO CB C 141 32.370 32.157 0.213 1 1 1466 . 26 1 1 A 142 142 ALA H H 142 8.496 8.399 0.097 1 1 1467 . 26 1 1 A 142 142 ALA HA H 142 4.363 4.321 0.042 1 1 1471 . 26 1 1 A 142 142 ALA C C 142 177.320 176.235 1.085 1 1 1472 . 26 1 1 A 142 142 ALA CA C 142 52.740 51.433 1.307 1 1 1473 . 26 1 1 A 142 142 ALA CB C 142 19.780 17.269 2.511 1 1 1474 . 26 1 1 A 142 142 ALA N N 142 124.080 125.265 -1.185 1 1 4 . 27 1 1 A 2 2 SER H H 2 8.404 8.184 0.220 1 1 5 . 27 1 1 A 2 2 SER HA H 2 4.430 4.709 -0.279 1 1 8 . 27 1 1 A 2 2 SER C C 2 174.220 173.347 0.873 1 1 9 . 27 1 1 A 2 2 SER CA C 2 58.650 57.735 0.915 1 1 10 . 27 1 1 A 2 2 SER CB C 2 64.280 64.606 -0.326 1 1 11 . 27 1 1 A 2 2 SER N N 2 116.880 111.008 5.872 1 1 12 . 27 1 1 A 3 3 ASP H H 3 8.314 7.711 0.603 1 1 13 . 27 1 1 A 3 3 ASP HA H 3 4.594 4.582 0.012 1 1 16 . 27 1 1 A 3 3 ASP C C 3 176.070 175.861 0.209 1 1 17 . 27 1 1 A 3 3 ASP CA C 3 54.580 55.175 -0.595 1 1 18 . 27 1 1 A 3 3 ASP CB C 3 41.530 41.437 0.093 1 1 19 . 27 1 1 A 3 3 ASP N N 3 122.210 121.834 0.376 1 1 20 . 27 1 1 A 4 4 ASN H H 4 8.326 8.591 -0.265 1 1 21 . 27 1 1 A 4 4 ASN HA H 4 4.748 5.033 -0.285 1 1 24 . 27 1 1 A 4 4 ASN C C 4 175.130 175.193 -0.063 1 1 25 . 27 1 1 A 4 4 ASN CA C 4 53.430 53.100 0.330 1 1 26 . 27 1 1 A 4 4 ASN CB C 4 38.920 40.074 -1.154 1 1 27 . 27 1 1 A 4 4 ASN N N 4 118.670 121.608 -2.938 1 1 28 . 27 1 1 A 5 5 ASN H H 5 8.467 8.684 -0.217 1 1 29 . 27 1 1 A 5 5 ASN HA H 5 4.702 4.855 -0.153 1 1 32 . 27 1 1 A 5 5 ASN C C 5 175.700 176.241 -0.541 1 1 33 . 27 1 1 A 5 5 ASN CA C 5 53.610 51.979 1.631 1 1 34 . 27 1 1 A 5 5 ASN CB C 5 39.090 36.621 2.469 1 1 35 . 27 1 1 A 5 5 ASN N N 5 119.070 122.455 -3.385 1 1 36 . 27 1 1 A 6 6 GLY H H 6 8.333 8.336 -0.003 1 1 37 . 27 1 1 A 6 6 GLY HA2 H 6 3.960 3.940 0.020 1 1 38 . 27 1 1 A 6 6 GLY HA3 H 6 3.960 3.940 0.020 1 1 39 . 27 1 1 A 6 6 GLY C C 6 174.050 173.982 0.068 1 1 40 . 27 1 1 A 6 6 GLY CA C 6 45.390 45.995 -0.605 1 1 41 . 27 1 1 A 6 6 GLY N N 6 109.000 110.861 -1.861 1 1 42 . 27 1 1 A 7 7 THR H H 7 8.076 7.911 0.165 1 1 43 . 27 1 1 A 7 7 THR HA H 7 4.591 4.719 -0.128 1 1 48 . 27 1 1 A 7 7 THR C C 7 172.840 172.681 0.159 1 1 49 . 27 1 1 A 7 7 THR CA C 7 60.050 58.974 1.076 1 1 50 . 27 1 1 A 7 7 THR N N 7 116.910 114.325 2.585 1 1 51 . 27 1 1 A 8 8 PRO HA H 8 4.414 4.535 -0.121 1 1 54 . 27 1 1 A 8 8 PRO C C 8 176.690 176.394 0.296 1 1 55 . 27 1 1 A 8 8 PRO CA C 8 63.090 62.527 0.563 1 1 56 . 27 1 1 A 8 8 PRO CB C 8 32.290 32.166 0.124 1 1 57 . 27 1 1 A 9 9 GLU H H 9 8.467 8.565 -0.098 1 1 58 . 27 1 1 A 9 9 GLU HA H 9 4.527 4.578 -0.051 1 1 63 . 27 1 1 A 9 9 GLU C C 9 174.680 174.785 -0.105 1 1 64 . 27 1 1 A 9 9 GLU CA C 9 54.550 54.115 0.435 1 1 65 . 27 1 1 A 9 9 GLU N N 9 122.910 121.213 1.697 1 1 66 . 27 1 1 A 10 10 PRO HA H 10 4.371 4.437 -0.066 1 1 71 . 27 1 1 A 10 10 PRO C C 10 176.820 176.497 0.323 1 1 72 . 27 1 1 A 10 10 PRO CA C 10 63.300 63.276 0.024 1 1 73 . 27 1 1 A 10 10 PRO CB C 10 32.290 31.860 0.430 1 1 74 . 27 1 1 A 11 11 GLN H H 11 8.543 8.525 0.018 1 1 75 . 27 1 1 A 11 11 GLN HA H 11 4.334 4.817 -0.483 1 1 82 . 27 1 1 A 11 11 GLN C C 11 176.010 175.025 0.985 1 1 83 . 27 1 1 A 11 11 GLN CA C 11 55.710 55.480 0.230 1 1 84 . 27 1 1 A 11 11 GLN CB C 11 29.520 30.473 -0.953 1 1 85 . 27 1 1 A 11 11 GLN N N 11 121.100 122.066 -0.966 1 1 87 . 27 1 1 A 12 12 VAL H H 12 8.201 8.800 -0.599 1 1 88 . 27 1 1 A 12 12 VAL HA H 12 4.144 4.715 -0.571 1 1 96 . 27 1 1 A 12 12 VAL C C 12 175.940 175.011 0.929 1 1 97 . 27 1 1 A 12 12 VAL CA C 12 62.110 61.651 0.459 1 1 98 . 27 1 1 A 12 12 VAL CB C 12 32.800 33.680 -0.880 1 1 99 . 27 1 1 A 12 12 VAL N N 12 122.070 124.382 -2.312 1 1 100 . 27 1 1 A 13 13 GLU H H 13 8.593 9.101 -0.508 1 1 101 . 27 1 1 A 13 13 GLU HA H 13 4.329 4.803 -0.474 1 1 106 . 27 1 1 A 13 13 GLU C C 13 176.720 176.146 0.574 1 1 107 . 27 1 1 A 13 13 GLU CA C 13 56.830 55.017 1.813 1 1 108 . 27 1 1 A 13 13 GLU CB C 13 30.860 31.721 -0.861 1 1 109 . 27 1 1 A 13 13 GLU N N 13 124.660 127.853 -3.193 1 1 138 . 27 1 1 A 17 17 VAL H H 17 8.458 8.619 -0.161 1 1 139 . 27 1 1 A 17 17 VAL HA H 17 4.183 4.317 -0.134 1 1 147 . 27 1 1 A 17 17 VAL C C 17 175.950 175.035 0.915 1 1 148 . 27 1 1 A 17 17 VAL CA C 17 63.780 62.669 1.111 1 1 149 . 27 1 1 A 17 17 VAL CB C 17 32.460 31.896 0.564 1 1 150 . 27 1 1 A 17 17 VAL N N 17 124.860 123.953 0.907 1 1 151 . 27 1 1 A 18 18 PHE H H 18 8.579 9.142 -0.563 1 1 152 . 27 1 1 A 18 18 PHE HA H 18 4.650 4.791 -0.141 1 1 160 . 27 1 1 A 18 18 PHE C C 18 173.450 174.433 -0.983 1 1 161 . 27 1 1 A 18 18 PHE CA C 18 57.480 56.670 0.810 1 1 162 . 27 1 1 A 18 18 PHE CB C 18 41.950 39.398 2.552 1 1 163 . 27 1 1 A 18 18 PHE N N 18 127.160 128.409 -1.249 1 1 164 . 27 1 1 A 19 19 ARG H H 19 7.920 8.902 -0.982 1 1 165 . 27 1 1 A 19 19 ARG HA H 19 4.196 5.368 -1.172 1 1 170 . 27 1 1 A 19 19 ARG C C 19 174.930 174.633 0.297 1 1 171 . 27 1 1 A 19 19 ARG CA C 19 54.800 54.630 0.170 1 1 172 . 27 1 1 A 19 19 ARG CB C 19 30.610 32.655 -2.045 1 1 173 . 27 1 1 A 19 19 ARG N N 19 127.500 123.883 3.617 1 1 174 . 27 1 1 A 20 20 ALA H H 20 8.067 8.625 -0.558 1 1 175 . 27 1 1 A 20 20 ALA HA H 20 3.729 4.509 -0.780 1 1 179 . 27 1 1 A 20 20 ALA C C 20 177.630 177.107 0.523 1 1 180 . 27 1 1 A 20 20 ALA CA C 20 53.280 51.195 2.085 1 1 181 . 27 1 1 A 20 20 ALA CB C 20 18.860 20.584 -1.724 1 1 182 . 27 1 1 A 20 20 ALA N N 20 126.460 122.879 3.581 1 1 183 . 27 1 1 A 21 21 ASP H H 21 8.355 9.174 -0.819 1 1 184 . 27 1 1 A 21 21 ASP HA H 21 4.350 4.505 -0.155 1 1 187 . 27 1 1 A 21 21 ASP C C 21 176.720 178.295 -1.575 1 1 188 . 27 1 1 A 21 21 ASP CA C 21 54.480 56.541 -2.061 1 1 189 . 27 1 1 A 21 21 ASP CB C 21 40.350 39.906 0.444 1 1 190 . 27 1 1 A 21 21 ASP N N 21 117.850 116.544 1.306 1 1 191 . 27 1 1 A 22 22 LEU H H 22 7.705 7.993 -0.288 1 1 192 . 27 1 1 A 22 22 LEU HA H 22 4.088 4.049 0.039 1 1 202 . 27 1 1 A 22 22 LEU C C 22 177.760 177.914 -0.154 1 1 203 . 27 1 1 A 22 22 LEU CA C 22 55.780 58.076 -2.296 1 1 204 . 27 1 1 A 22 22 LEU CB C 22 41.860 41.547 0.313 1 1 205 . 27 1 1 A 22 22 LEU N N 22 121.600 118.049 3.551 1 1 206 . 27 1 1 A 23 23 LEU H H 23 7.717 7.930 -0.213 1 1 207 . 27 1 1 A 23 23 LEU HA H 23 4.166 4.316 -0.150 1 1 217 . 27 1 1 A 23 23 LEU C C 23 177.840 176.961 0.879 1 1 218 . 27 1 1 A 23 23 LEU CA C 23 55.960 55.609 0.351 1 1 219 . 27 1 1 A 23 23 LEU CB C 23 41.950 41.319 0.631 1 1 220 . 27 1 1 A 23 23 LEU N N 23 120.360 118.951 1.409 1 1 221 . 27 1 1 A 24 24 LYS H H 24 7.933 7.948 -0.015 1 1 222 . 27 1 1 A 24 24 LYS HA H 24 4.174 4.381 -0.207 1 1 229 . 27 1 1 A 24 24 LYS C C 24 177.190 178.480 -1.290 1 1 230 . 27 1 1 A 24 24 LYS CA C 24 57.050 57.381 -0.331 1 1 231 . 27 1 1 A 24 24 LYS CB C 24 32.880 33.865 -0.985 1 1 232 . 27 1 1 A 24 24 LYS N N 24 121.120 117.983 3.137 1 1 233 . 27 1 1 A 25 25 GLU H H 25 8.160 8.252 -0.092 1 1 234 . 27 1 1 A 25 25 GLU HA H 25 4.199 4.074 0.125 1 1 239 . 27 1 1 A 25 25 GLU C C 25 176.900 179.411 -2.511 1 1 240 . 27 1 1 A 25 25 GLU CA C 25 57.010 59.535 -2.525 1 1 241 . 27 1 1 A 25 25 GLU CB C 25 30.280 28.862 1.418 1 1 242 . 27 1 1 A 25 25 GLU N N 25 121.550 120.115 1.435 1 1 243 . 27 1 1 A 26 26 MET H H 26 8.270 7.766 0.504 1 1 244 . 27 1 1 A 26 26 MET HA H 26 4.360 4.112 0.248 1 1 252 . 27 1 1 A 26 26 MET C C 26 176.440 178.163 -1.723 1 1 253 . 27 1 1 A 26 26 MET CA C 26 56.180 58.237 -2.057 1 1 254 . 27 1 1 A 26 26 MET CB C 26 33.050 31.987 1.063 1 1 255 . 27 1 1 A 26 26 MET N N 26 120.730 118.380 2.350 1 1 256 . 27 1 1 A 27 27 GLU H H 27 8.297 7.960 0.337 1 1 257 . 27 1 1 A 27 27 GLU HA H 27 4.264 4.266 -0.002 1 1 262 . 27 1 1 A 27 27 GLU C C 27 176.650 179.151 -2.501 1 1 263 . 27 1 1 A 27 27 GLU CA C 27 56.830 58.949 -2.119 1 1 264 . 27 1 1 A 27 27 GLU CB C 27 30.530 29.253 1.277 1 1 265 . 27 1 1 A 27 27 GLU N N 27 121.650 121.440 0.210 1 1 266 . 27 1 1 A 28 28 SER H H 28 8.279 7.960 0.319 1 1 267 . 27 1 1 A 28 28 SER HA H 28 4.473 4.220 0.253 1 1 270 . 27 1 1 A 28 28 SER C C 28 174.760 176.086 -1.326 1 1 271 . 27 1 1 A 28 28 SER CA C 28 58.460 61.581 -3.121 1 1 272 . 27 1 1 A 28 28 SER CB C 28 64.190 63.068 1.122 1 1 273 . 27 1 1 A 28 28 SER N N 28 116.610 117.613 -1.003 1 1 274 . 27 1 1 A 29 29 SER H H 29 8.443 7.598 0.845 1 1 275 . 27 1 1 A 29 29 SER HA H 29 4.541 4.356 0.185 1 1 278 . 27 1 1 A 29 29 SER C C 29 174.950 174.961 -0.011 1 1 279 . 27 1 1 A 29 29 SER CA C 29 58.530 59.139 -0.609 1 1 280 . 27 1 1 A 29 29 SER CB C 29 64.190 63.545 0.645 1 1 281 . 27 1 1 A 29 29 SER N N 29 118.290 113.111 5.179 1 1 282 . 27 1 1 A 30 30 THR H H 30 8.220 7.511 0.709 1 1 283 . 27 1 1 A 30 30 THR HA H 30 4.372 4.064 0.308 1 1 288 . 27 1 1 A 30 30 THR C C 30 175.280 175.765 -0.485 1 1 289 . 27 1 1 A 30 30 THR CA C 30 62.260 64.887 -2.627 1 1 290 . 27 1 1 A 30 30 THR CB C 30 69.900 68.624 1.276 1 1 291 . 27 1 1 A 30 30 THR N N 30 115.600 118.465 -2.865 1 1 292 . 27 1 1 A 31 31 GLY H H 31 8.401 8.818 -0.417 1 1 293 . 27 1 1 A 31 31 GLY HA2 H 31 4.005 3.996 0.009 1 1 294 . 27 1 1 A 31 31 GLY HA3 H 31 4.005 3.997 0.008 1 1 295 . 27 1 1 A 31 31 GLY C C 31 174.160 174.648 -0.488 1 1 296 . 27 1 1 A 31 31 GLY CA C 31 45.470 45.353 0.117 1 1 297 . 27 1 1 A 31 31 GLY N N 31 111.270 114.518 -3.248 1 1 298 . 27 1 1 A 32 32 THR H H 32 8.034 7.079 0.955 1 1 299 . 27 1 1 A 32 32 THR HA H 32 4.319 4.284 0.035 1 1 304 . 27 1 1 A 32 32 THR C C 32 174.130 174.308 -0.178 1 1 305 . 27 1 1 A 32 32 THR CA C 32 61.710 63.408 -1.698 1 1 306 . 27 1 1 A 32 32 THR CB C 32 70.150 68.966 1.184 1 1 307 . 27 1 1 A 32 32 THR N N 32 113.770 115.175 -1.405 1 1 308 . 27 1 1 A 33 33 ALA H H 33 8.410 8.790 -0.380 1 1 309 . 27 1 1 A 33 33 ALA HA H 33 4.581 4.820 -0.239 1 1 313 . 27 1 1 A 33 33 ALA C C 33 175.490 174.581 0.909 1 1 314 . 27 1 1 A 33 33 ALA CA C 33 50.680 49.375 1.305 1 1 315 . 27 1 1 A 33 33 ALA N N 33 128.320 129.224 -0.904 1 1 316 . 27 1 1 A 34 34 PRO HA H 34 4.389 4.662 -0.273 1 1 321 . 27 1 1 A 34 34 PRO C C 34 176.650 176.166 0.484 1 1 322 . 27 1 1 A 34 34 PRO CA C 34 63.090 62.558 0.532 1 1 323 . 27 1 1 A 34 34 PRO CB C 34 32.210 32.365 -0.155 1 1 324 . 27 1 1 A 35 35 ALA H H 35 8.433 8.321 0.112 1 1 325 . 27 1 1 A 35 35 ALA HA H 35 4.275 4.810 -0.535 1 1 329 . 27 1 1 A 35 35 ALA C C 35 177.730 176.709 1.021 1 1 330 . 27 1 1 A 35 35 ALA CA C 35 52.590 50.596 1.994 1 1 331 . 27 1 1 A 35 35 ALA CB C 35 19.450 21.937 -2.487 1 1 332 . 27 1 1 A 35 35 ALA N N 35 124.330 123.427 0.903 1 1 333 . 27 1 1 A 36 36 SER H H 36 8.259 9.021 -0.762 1 1 334 . 27 1 1 A 36 36 SER HA H 36 4.474 4.553 -0.079 1 1 337 . 27 1 1 A 36 36 SER C C 36 174.860 175.235 -0.375 1 1 338 . 27 1 1 A 36 36 SER CA C 36 58.130 58.379 -0.249 1 1 339 . 27 1 1 A 36 36 SER CB C 36 64.190 61.587 2.603 1 1 340 . 27 1 1 A 36 36 SER N N 36 114.560 118.719 -4.159 1 1 341 . 27 1 1 A 37 37 THR H H 37 8.325 7.964 0.361 1 1 342 . 27 1 1 A 37 37 THR HA H 37 4.281 4.303 -0.022 1 1 346 . 27 1 1 A 37 37 THR C C 37 175.110 174.831 0.279 1 1 347 . 27 1 1 A 37 37 THR CA C 37 62.260 63.786 -1.526 1 1 348 . 27 1 1 A 37 37 THR CB C 37 70.150 68.850 1.300 1 1 349 . 27 1 1 A 37 37 THR N N 37 115.300 117.772 -2.472 1 1 350 . 27 1 1 A 38 38 GLY H H 38 8.511 8.002 0.509 1 1 351 . 27 1 1 A 38 38 GLY HA2 H 38 3.975 4.082 -0.107 1 1 352 . 27 1 1 A 38 38 GLY HA3 H 38 3.809 4.085 -0.276 1 1 353 . 27 1 1 A 38 38 GLY C C 38 174.470 174.824 -0.354 1 1 354 . 27 1 1 A 38 38 GLY CA C 38 45.470 46.491 -1.021 1 1 355 . 27 1 1 A 38 38 GLY N N 38 110.440 110.213 0.227 1 1 356 . 27 1 1 A 39 39 ALA H H 39 8.245 8.077 0.168 1 1 357 . 27 1 1 A 39 39 ALA HA H 39 4.164 4.435 -0.271 1 1 361 . 27 1 1 A 39 39 ALA C C 39 177.590 179.577 -1.987 1 1 362 . 27 1 1 A 39 39 ALA CA C 39 52.560 54.502 -1.942 1 1 363 . 27 1 1 A 39 39 ALA CB C 39 19.360 19.378 -0.018 1 1 364 . 27 1 1 A 39 39 ALA N N 39 124.080 122.055 2.025 1 1 365 . 27 1 1 A 40 40 GLU H H 40 8.721 8.322 0.399 1 1 366 . 27 1 1 A 40 40 GLU HA H 40 4.083 4.198 -0.115 1 1 371 . 27 1 1 A 40 40 GLU C C 40 176.320 177.123 -0.803 1 1 372 . 27 1 1 A 40 40 GLU CA C 40 57.910 57.828 0.082 1 1 373 . 27 1 1 A 40 40 GLU CB C 40 29.520 28.359 1.161 1 1 374 . 27 1 1 A 40 40 GLU N N 40 118.270 116.176 2.094 1 1 375 . 27 1 1 A 41 41 ASN H H 41 8.226 7.904 0.322 1 1 376 . 27 1 1 A 41 41 ASN HA H 41 4.716 4.710 0.006 1 1 381 . 27 1 1 A 41 41 ASN C C 41 174.800 175.175 -0.375 1 1 382 . 27 1 1 A 41 41 ASN CA C 41 52.880 54.139 -1.259 1 1 383 . 27 1 1 A 41 41 ASN CB C 41 38.840 39.466 -0.626 1 1 384 . 27 1 1 A 41 41 ASN N N 41 117.620 117.284 0.336 1 1 386 . 27 1 1 A 42 42 LEU H H 42 7.629 7.838 -0.209 1 1 387 . 27 1 1 A 42 42 LEU HA H 42 4.418 4.002 0.416 1 1 397 . 27 1 1 A 42 42 LEU C C 42 174.610 176.520 -1.910 1 1 398 . 27 1 1 A 42 42 LEU CA C 42 53.170 55.675 -2.505 1 1 399 . 27 1 1 A 42 42 LEU N N 42 123.010 116.927 6.083 1 1 400 . 27 1 1 A 43 43 PRO HA H 43 4.366 4.395 -0.029 1 1 407 . 27 1 1 A 43 43 PRO C C 43 177.050 179.225 -2.175 1 1 408 . 27 1 1 A 43 43 PRO CA C 43 62.260 66.307 -4.047 1 1 409 . 27 1 1 A 43 43 PRO CB C 43 32.380 31.334 1.046 1 1 410 . 27 1 1 A 44 44 ALA H H 44 8.552 7.742 0.810 1 1 411 . 27 1 1 A 44 44 ALA HA H 44 4.223 4.259 -0.036 1 1 415 . 27 1 1 A 44 44 ALA C C 44 179.500 178.232 1.268 1 1 416 . 27 1 1 A 44 44 ALA CA C 44 53.250 52.680 0.570 1 1 417 . 27 1 1 A 44 44 ALA CB C 44 18.190 19.675 -1.485 1 1 418 . 27 1 1 A 44 44 ALA N N 44 125.070 119.149 5.921 1 1 419 . 27 1 1 A 45 45 GLY H H 45 8.897 8.906 -0.009 1 1 420 . 27 1 1 A 45 45 GLY HA2 H 45 4.214 3.909 0.305 1 1 421 . 27 1 1 A 45 45 GLY HA3 H 45 3.833 3.913 -0.080 1 1 422 . 27 1 1 A 45 45 GLY C C 45 173.720 173.459 0.261 1 1 423 . 27 1 1 A 45 45 GLY CA C 45 45.790 45.650 0.140 1 1 424 . 27 1 1 A 45 45 GLY N N 45 110.600 108.491 2.109 1 1 425 . 27 1 1 A 46 46 SER H H 46 7.690 8.050 -0.360 1 1 426 . 27 1 1 A 46 46 SER HA H 46 5.338 5.258 0.080 1 1 429 . 27 1 1 A 46 46 SER C C 46 172.990 172.725 0.265 1 1 430 . 27 1 1 A 46 46 SER CA C 46 57.810 57.782 0.028 1 1 431 . 27 1 1 A 46 46 SER CB C 46 66.960 67.248 -0.288 1 1 432 . 27 1 1 A 46 46 SER N N 46 114.180 116.073 -1.893 1 1 433 . 27 1 1 A 47 47 ALA H H 47 8.435 8.119 0.316 1 1 434 . 27 1 1 A 47 47 ALA HA H 47 4.338 4.795 -0.457 1 1 438 . 27 1 1 A 47 47 ALA C C 47 173.840 175.808 -1.968 1 1 439 . 27 1 1 A 47 47 ALA CA C 47 51.690 50.840 0.850 1 1 440 . 27 1 1 A 47 47 ALA CB C 47 24.570 22.690 1.880 1 1 441 . 27 1 1 A 47 47 ALA N N 47 120.900 123.124 -2.224 1 1 442 . 27 1 1 A 48 48 LEU H H 48 8.673 8.516 0.157 1 1 443 . 27 1 1 A 48 48 LEU HA H 48 5.021 5.200 -0.179 1 1 453 . 27 1 1 A 48 48 LEU C C 48 174.680 175.498 -0.818 1 1 454 . 27 1 1 A 48 48 LEU CA C 48 53.350 52.496 0.854 1 1 455 . 27 1 1 A 48 48 LEU CB C 48 48.150 45.491 2.659 1 1 456 . 27 1 1 A 48 48 LEU N N 48 120.170 115.731 4.439 1 1 457 . 27 1 1 A 49 49 LEU H H 49 8.686 9.218 -0.532 1 1 458 . 27 1 1 A 49 49 LEU HA H 49 5.403 5.150 0.253 1 1 468 . 27 1 1 A 49 49 LEU C C 49 176.170 175.059 1.111 1 1 469 . 27 1 1 A 49 49 LEU CA C 49 52.810 52.998 -0.188 1 1 470 . 27 1 1 A 49 49 LEU CB C 49 46.310 44.251 2.059 1 1 471 . 27 1 1 A 49 49 LEU N N 49 120.170 121.148 -0.978 1 1 472 . 27 1 1 A 50 50 VAL H H 50 8.874 9.389 -0.515 1 1 473 . 27 1 1 A 50 50 VAL HA H 50 4.971 4.885 0.086 1 1 481 . 27 1 1 A 50 50 VAL C C 50 176.740 174.304 2.436 1 1 482 . 27 1 1 A 50 50 VAL CA C 50 59.940 60.140 -0.200 1 1 483 . 27 1 1 A 50 50 VAL CB C 50 34.970 34.138 0.832 1 1 484 . 27 1 1 A 50 50 VAL N N 50 120.580 121.649 -1.069 1 1 485 . 27 1 1 A 51 51 VAL H H 51 8.984 9.076 -0.092 1 1 486 . 27 1 1 A 51 51 VAL HA H 51 4.155 4.088 0.067 1 1 494 . 27 1 1 A 51 51 VAL C C 51 176.050 176.015 0.035 1 1 495 . 27 1 1 A 51 51 VAL CA C 51 64.280 62.969 1.311 1 1 496 . 27 1 1 A 51 51 VAL CB C 51 31.280 31.464 -0.184 1 1 497 . 27 1 1 A 51 51 VAL N N 51 125.710 128.829 -3.119 1 1 498 . 27 1 1 A 52 52 LYS H H 52 9.444 9.491 -0.047 1 1 499 . 27 1 1 A 52 52 LYS HA H 52 4.450 4.369 0.081 1 1 506 . 27 1 1 A 52 52 LYS C C 52 176.150 175.731 0.419 1 1 507 . 27 1 1 A 52 52 LYS CA C 52 57.050 57.426 -0.376 1 1 508 . 27 1 1 A 52 52 LYS CB C 52 34.470 33.822 0.648 1 1 509 . 27 1 1 A 52 52 LYS N N 52 132.750 129.884 2.866 1 1 510 . 27 1 1 A 53 53 ARG H H 53 8.051 7.822 0.229 1 1 511 . 27 1 1 A 53 53 ARG HA H 53 4.685 4.838 -0.153 1 1 516 . 27 1 1 A 53 53 ARG C C 53 173.470 174.709 -1.239 1 1 517 . 27 1 1 A 53 53 ARG CA C 53 55.090 55.101 -0.011 1 1 518 . 27 1 1 A 53 53 ARG CB C 53 34.300 34.066 0.234 1 1 519 . 27 1 1 A 53 53 ARG N N 53 117.320 118.727 -1.407 1 1 520 . 27 1 1 A 54 54 GLY H H 54 8.377 8.273 0.104 1 1 521 . 27 1 1 A 54 54 GLY HA2 H 54 4.215 3.673 0.542 1 1 522 . 27 1 1 A 54 54 GLY HA3 H 54 3.503 3.857 -0.354 1 1 523 . 27 1 1 A 54 54 GLY C C 54 171.870 174.011 -2.141 1 1 524 . 27 1 1 A 54 54 GLY CA C 54 43.770 44.231 -0.461 1 1 525 . 27 1 1 A 54 54 GLY N N 54 110.960 112.309 -1.349 1 1 526 . 27 1 1 A 55 55 PRO HA H 55 4.255 4.294 -0.039 1 1 531 . 27 1 1 A 55 55 PRO C C 55 175.940 177.685 -1.745 1 1 532 . 27 1 1 A 55 55 PRO CA C 55 64.390 65.110 -0.720 1 1 533 . 27 1 1 A 55 55 PRO CB C 55 31.360 31.925 -0.565 1 1 534 . 27 1 1 A 56 56 ASN H H 56 8.202 8.516 -0.314 1 1 535 . 27 1 1 A 56 56 ASN HA H 56 4.685 4.826 -0.141 1 1 540 . 27 1 1 A 56 56 ASN C C 56 174.410 175.523 -1.113 1 1 541 . 27 1 1 A 56 56 ASN CA C 56 52.120 52.560 -0.440 1 1 542 . 27 1 1 A 56 56 ASN CB C 56 37.070 37.618 -0.548 1 1 543 . 27 1 1 A 56 56 ASN N N 56 114.760 113.608 1.152 1 1 545 . 27 1 1 A 57 57 ALA H H 57 7.283 7.408 -0.125 1 1 546 . 27 1 1 A 57 57 ALA HA H 57 3.618 4.131 -0.513 1 1 550 . 27 1 1 A 57 57 ALA C C 57 178.090 178.426 -0.336 1 1 551 . 27 1 1 A 57 57 ALA CA C 57 54.480 53.613 0.867 1 1 552 . 27 1 1 A 57 57 ALA CB C 57 17.760 18.964 -1.204 1 1 553 . 27 1 1 A 57 57 ALA N N 57 120.380 124.088 -3.708 1 1 554 . 27 1 1 A 58 58 GLY H H 58 9.052 9.293 -0.241 1 1 555 . 27 1 1 A 58 58 GLY HA2 H 58 4.449 3.987 0.462 1 1 556 . 27 1 1 A 58 58 GLY HA3 H 58 3.415 3.987 -0.572 1 1 557 . 27 1 1 A 58 58 GLY C C 58 174.610 174.339 0.271 1 1 558 . 27 1 1 A 58 58 GLY CA C 58 44.530 44.977 -0.447 1 1 559 . 27 1 1 A 58 58 GLY N N 58 112.180 110.557 1.623 1 1 560 . 27 1 1 A 59 59 ALA H H 59 8.171 7.292 0.879 1 1 561 . 27 1 1 A 59 59 ALA HA H 59 4.081 4.290 -0.209 1 1 565 . 27 1 1 A 59 59 ALA C C 59 175.220 176.648 -1.428 1 1 566 . 27 1 1 A 59 59 ALA CA C 59 53.170 51.493 1.677 1 1 567 . 27 1 1 A 59 59 ALA CB C 59 19.360 19.931 -0.571 1 1 568 . 27 1 1 A 59 59 ALA N N 59 124.650 123.679 0.971 1 1 569 . 27 1 1 A 60 60 ARG H H 60 7.751 8.713 -0.962 1 1 570 . 27 1 1 A 60 60 ARG HA H 60 5.105 5.146 -0.041 1 1 575 . 27 1 1 A 60 60 ARG C C 60 175.320 174.512 0.808 1 1 576 . 27 1 1 A 60 60 ARG CA C 60 54.150 54.281 -0.131 1 1 577 . 27 1 1 A 60 60 ARG CB C 60 34.130 33.346 0.784 1 1 578 . 27 1 1 A 60 60 ARG N N 60 116.920 118.738 -1.818 1 1 579 . 27 1 1 A 61 61 PHE H H 61 9.213 9.439 -0.226 1 1 580 . 27 1 1 A 61 61 PHE HA H 61 4.788 5.024 -0.236 1 1 587 . 27 1 1 A 61 61 PHE C C 61 173.930 174.546 -0.616 1 1 588 . 27 1 1 A 61 61 PHE CA C 61 56.500 56.319 0.181 1 1 589 . 27 1 1 A 61 61 PHE CB C 61 41.860 41.488 0.372 1 1 590 . 27 1 1 A 61 61 PHE N N 61 121.090 120.746 0.344 1 1 591 . 27 1 1 A 62 62 LEU H H 62 8.638 8.898 -0.260 1 1 592 . 27 1 1 A 62 62 LEU HA H 62 4.566 4.701 -0.135 1 1 602 . 27 1 1 A 62 62 LEU C C 62 176.570 174.882 1.688 1 1 603 . 27 1 1 A 62 62 LEU CA C 62 55.130 54.062 1.068 1 1 604 . 27 1 1 A 62 62 LEU CB C 62 43.620 43.880 -0.260 1 1 605 . 27 1 1 A 62 62 LEU N N 62 125.630 125.814 -0.184 1 1 606 . 27 1 1 A 63 63 LEU H H 63 8.929 9.270 -0.341 1 1 607 . 27 1 1 A 63 63 LEU HA H 63 4.852 4.500 0.352 1 1 617 . 27 1 1 A 63 63 LEU C C 63 175.070 176.570 -1.500 1 1 618 . 27 1 1 A 63 63 LEU CA C 63 53.170 54.670 -1.500 1 1 619 . 27 1 1 A 63 63 LEU CB C 63 42.110 41.171 0.939 1 1 620 . 27 1 1 A 63 63 LEU N N 63 125.980 127.614 -1.634 1 1 621 . 27 1 1 A 64 64 ASP H H 64 8.601 9.058 -0.457 1 1 622 . 27 1 1 A 64 64 ASP HA H 64 4.736 4.814 -0.078 1 1 625 . 27 1 1 A 64 64 ASP C C 64 175.130 175.871 -0.741 1 1 626 . 27 1 1 A 64 64 ASP CA C 64 53.640 54.725 -1.085 1 1 627 . 27 1 1 A 64 64 ASP CB C 64 41.020 42.665 -1.645 1 1 628 . 27 1 1 A 64 64 ASP N N 64 120.910 126.093 -5.183 1 1 629 . 27 1 1 A 65 65 GLN H H 65 7.497 7.596 -0.099 1 1 630 . 27 1 1 A 65 65 GLN HA H 65 4.856 4.763 0.093 1 1 637 . 27 1 1 A 65 65 GLN C C 65 173.550 175.583 -2.033 1 1 638 . 27 1 1 A 65 65 GLN CA C 65 52.780 53.630 -0.850 1 1 639 . 27 1 1 A 65 65 GLN N N 65 117.420 115.473 1.947 1 1 641 . 27 1 1 A 66 66 PRO HA H 66 4.190 5.050 -0.860 1 1 648 . 27 1 1 A 66 66 PRO C C 66 177.400 176.775 0.625 1 1 649 . 27 1 1 A 66 66 PRO CA C 66 66.810 64.942 1.868 1 1 650 . 27 1 1 A 66 66 PRO CB C 66 32.370 32.136 0.234 1 1 651 . 27 1 1 A 67 67 THR H H 67 7.647 7.533 0.114 1 1 652 . 27 1 1 A 67 67 THR HA H 67 4.811 5.331 -0.520 1 1 657 . 27 1 1 A 67 67 THR C C 67 173.280 173.359 -0.079 1 1 658 . 27 1 1 A 67 67 THR CA C 67 62.830 61.315 1.515 1 1 659 . 27 1 1 A 67 67 THR CB C 67 71.740 71.404 0.336 1 1 660 . 27 1 1 A 67 67 THR N N 67 109.270 112.266 -2.996 1 1 661 . 27 1 1 A 68 68 THR H H 68 8.919 9.525 -0.606 1 1 662 . 27 1 1 A 68 68 THR HA H 68 4.968 4.975 -0.007 1 1 667 . 27 1 1 A 68 68 THR C C 68 175.090 174.230 0.860 1 1 668 . 27 1 1 A 68 68 THR CA C 68 61.820 62.145 -0.325 1 1 669 . 27 1 1 A 68 68 THR CB C 68 70.730 69.777 0.953 1 1 670 . 27 1 1 A 68 68 THR N N 68 125.610 123.470 2.140 1 1 671 . 27 1 1 A 69 69 THR H H 69 10.398 8.785 1.613 1 1 672 . 27 1 1 A 69 69 THR HA H 69 4.491 5.012 -0.521 1 1 677 . 27 1 1 A 69 69 THR C C 69 173.140 174.120 -0.980 1 1 678 . 27 1 1 A 69 69 THR CA C 69 61.790 60.915 0.875 1 1 679 . 27 1 1 A 69 69 THR CB C 69 70.820 70.232 0.588 1 1 680 . 27 1 1 A 69 69 THR N N 69 121.520 119.388 2.132 1 1 681 . 27 1 1 A 70 70 ALA H H 70 8.722 8.985 -0.263 1 1 682 . 27 1 1 A 70 70 ALA HA H 70 5.696 5.551 0.145 1 1 686 . 27 1 1 A 70 70 ALA C C 70 175.840 175.869 -0.029 1 1 687 . 27 1 1 A 70 70 ALA CA C 70 50.030 50.423 -0.393 1 1 688 . 27 1 1 A 70 70 ALA CB C 70 22.300 22.463 -0.163 1 1 689 . 27 1 1 A 70 70 ALA N N 70 122.410 126.112 -3.702 1 1 690 . 27 1 1 A 71 71 GLY H H 71 8.430 8.093 0.337 1 1 691 . 27 1 1 A 71 71 GLY HA2 H 71 4.474 4.103 0.371 1 1 692 . 27 1 1 A 71 71 GLY HA3 H 71 3.903 4.132 -0.229 1 1 693 . 27 1 1 A 71 71 GLY C C 71 170.540 171.866 -1.326 1 1 694 . 27 1 1 A 71 71 GLY CA C 71 46.300 44.192 2.108 1 1 695 . 27 1 1 A 71 71 GLY N N 71 108.960 107.880 1.080 1 1 696 . 27 1 1 A 72 72 ARG H H 72 8.341 8.834 -0.493 1 1 697 . 27 1 1 A 72 72 ARG HA H 72 4.481 4.742 -0.261 1 1 702 . 27 1 1 A 72 72 ARG C C 72 175.720 174.977 0.743 1 1 703 . 27 1 1 A 72 72 ARG CA C 72 54.800 55.830 -1.030 1 1 704 . 27 1 1 A 72 72 ARG CB C 72 32.540 31.048 1.492 1 1 705 . 27 1 1 A 72 72 ARG N N 72 120.930 121.136 -0.206 1 1 706 . 27 1 1 A 73 73 HIS H H 73 9.295 8.288 1.007 1 1 707 . 27 1 1 A 73 73 HIS HA H 73 4.403 4.825 -0.422 1 1 712 . 27 1 1 A 73 73 HIS C C 73 176.860 174.077 2.783 1 1 713 . 27 1 1 A 73 73 HIS CA C 73 57.050 55.541 1.509 1 1 714 . 27 1 1 A 73 73 HIS N N 73 125.290 124.601 0.689 1 1 715 . 27 1 1 A 74 74 PRO HA H 74 4.373 4.320 0.053 1 1 722 . 27 1 1 A 74 74 PRO C C 74 177.590 177.217 0.373 1 1 723 . 27 1 1 A 74 74 PRO CA C 74 64.930 64.983 -0.053 1 1 724 . 27 1 1 A 74 74 PRO CB C 74 32.030 31.957 0.073 1 1 725 . 27 1 1 A 75 75 GLU H H 75 10.575 8.636 1.939 1 1 726 . 27 1 1 A 75 75 GLU HA H 75 4.352 4.359 -0.007 1 1 731 . 27 1 1 A 75 75 GLU C C 75 177.320 175.541 1.779 1 1 732 . 27 1 1 A 75 75 GLU CA C 75 56.070 56.302 -0.232 1 1 733 . 27 1 1 A 75 75 GLU CB C 75 29.010 29.346 -0.336 1 1 734 . 27 1 1 A 75 75 GLU N N 75 119.840 116.270 3.570 1 1 735 . 27 1 1 A 76 76 SER H H 76 8.236 7.598 0.638 1 1 736 . 27 1 1 A 76 76 SER HA H 76 4.100 5.203 -1.103 1 1 739 . 27 1 1 A 76 76 SER C C 76 173.120 174.264 -1.144 1 1 740 . 27 1 1 A 76 76 SER CA C 76 60.160 58.710 1.450 1 1 741 . 27 1 1 A 76 76 SER CB C 76 65.530 64.417 1.113 1 1 742 . 27 1 1 A 76 76 SER N N 76 118.860 116.017 2.843 1 1 743 . 27 1 1 A 77 77 ASP H H 77 8.541 8.874 -0.333 1 1 744 . 27 1 1 A 77 77 ASP HA H 77 4.344 4.497 -0.153 1 1 747 . 27 1 1 A 77 77 ASP C C 77 177.590 175.975 1.615 1 1 748 . 27 1 1 A 77 77 ASP CA C 77 58.380 56.944 1.436 1 1 749 . 27 1 1 A 77 77 ASP CB C 77 42.110 41.127 0.983 1 1 750 . 27 1 1 A 77 77 ASP N N 77 126.720 124.971 1.749 1 1 751 . 27 1 1 A 78 78 ILE H H 78 8.571 7.241 1.330 1 1 752 . 27 1 1 A 78 78 ILE HA H 78 3.563 4.449 -0.886 1 1 762 . 27 1 1 A 78 78 ILE C C 78 172.930 175.131 -2.201 1 1 763 . 27 1 1 A 78 78 ILE CA C 78 60.880 59.251 1.629 1 1 764 . 27 1 1 A 78 78 ILE CB C 78 37.410 40.094 -2.684 1 1 765 . 27 1 1 A 78 78 ILE N N 78 120.210 114.913 5.297 1 1 766 . 27 1 1 A 79 79 PHE H H 79 8.018 8.294 -0.276 1 1 767 . 27 1 1 A 79 79 PHE HA H 79 5.018 5.731 -0.713 1 1 775 . 27 1 1 A 79 79 PHE C C 79 174.130 173.712 0.418 1 1 776 . 27 1 1 A 79 79 PHE CA C 79 55.780 54.972 0.808 1 1 777 . 27 1 1 A 79 79 PHE CB C 79 39.170 42.712 -3.542 1 1 778 . 27 1 1 A 79 79 PHE N N 79 127.300 120.350 6.950 1 1 779 . 27 1 1 A 80 80 LEU H H 80 7.695 9.117 -1.422 1 1 780 . 27 1 1 A 80 80 LEU HA H 80 3.619 5.137 -1.518 1 1 790 . 27 1 1 A 80 80 LEU C C 80 173.720 175.318 -1.598 1 1 791 . 27 1 1 A 80 80 LEU CA C 80 52.340 53.208 -0.868 1 1 792 . 27 1 1 A 80 80 LEU CB C 80 41.770 44.188 -2.418 1 1 793 . 27 1 1 A 80 80 LEU N N 80 131.810 122.347 9.463 1 1 794 . 27 1 1 A 81 81 ASP H H 81 7.974 9.044 -1.070 1 1 795 . 27 1 1 A 81 81 ASP HA H 81 4.141 5.183 -1.042 1 1 798 . 27 1 1 A 81 81 ASP C C 81 175.130 174.554 0.576 1 1 799 . 27 1 1 A 81 81 ASP CA C 81 53.210 53.378 -0.168 1 1 800 . 27 1 1 A 81 81 ASP CB C 81 39.930 42.467 -2.537 1 1 801 . 27 1 1 A 81 81 ASP N N 81 121.130 124.608 -3.478 1 1 802 . 27 1 1 A 82 82 ASP H H 82 7.583 8.531 -0.948 1 1 803 . 27 1 1 A 82 82 ASP HA H 82 4.859 5.371 -0.512 1 1 806 . 27 1 1 A 82 82 ASP C C 82 176.760 176.525 0.235 1 1 807 . 27 1 1 A 82 82 ASP CA C 82 54.980 52.426 2.554 1 1 808 . 27 1 1 A 82 82 ASP CB C 82 39.170 43.846 -4.676 1 1 809 . 27 1 1 A 82 82 ASP N N 82 121.540 126.727 -5.187 1 1 810 . 27 1 1 A 83 83 VAL H H 83 8.344 8.409 -0.065 1 1 811 . 27 1 1 A 83 83 VAL HA H 83 4.012 4.074 -0.062 1 1 819 . 27 1 1 A 83 83 VAL C C 83 174.860 176.367 -1.507 1 1 820 . 27 1 1 A 83 83 VAL CA C 83 65.330 65.327 0.003 1 1 821 . 27 1 1 A 83 83 VAL CB C 83 31.530 32.529 -0.999 1 1 822 . 27 1 1 A 83 83 VAL N N 83 122.260 121.425 0.835 1 1 823 . 27 1 1 A 84 84 THR H H 84 8.268 8.504 -0.236 1 1 824 . 27 1 1 A 84 84 THR HA H 84 4.540 5.013 -0.473 1 1 828 . 27 1 1 A 84 84 THR C C 84 175.360 173.516 1.844 1 1 829 . 27 1 1 A 84 84 THR CA C 84 63.810 60.504 3.306 1 1 830 . 27 1 1 A 84 84 THR CB C 84 70.900 71.977 -1.077 1 1 831 . 27 1 1 A 84 84 THR N N 84 110.620 111.513 -0.893 1 1 832 . 27 1 1 A 85 85 VAL H H 85 8.579 8.887 -0.308 1 1 833 . 27 1 1 A 85 85 VAL HA H 85 4.254 4.474 -0.220 1 1 841 . 27 1 1 A 85 85 VAL C C 85 177.070 174.703 2.367 1 1 842 . 27 1 1 A 85 85 VAL CA C 85 61.930 62.042 -0.112 1 1 843 . 27 1 1 A 85 85 VAL CB C 85 32.450 31.381 1.069 1 1 844 . 27 1 1 A 85 85 VAL N N 85 126.860 123.894 2.966 1 1 845 . 27 1 1 A 86 86 SER H H 86 11.668 8.623 3.045 1 1 846 . 27 1 1 A 86 86 SER HA H 86 5.203 5.036 0.167 1 1 849 . 27 1 1 A 86 86 SER C C 86 175.470 175.093 0.377 1 1 850 . 27 1 1 A 86 86 SER CA C 86 61.600 56.919 4.681 1 1 851 . 27 1 1 A 86 86 SER CB C 86 64.270 63.276 0.994 1 1 852 . 27 1 1 A 86 86 SER N N 86 128.670 121.118 7.552 1 1 853 . 27 1 1 A 87 87 ARG H H 87 10.946 8.668 2.278 1 1 854 . 27 1 1 A 87 87 ARG HA H 87 5.179 4.690 0.489 1 1 862 . 27 1 1 A 87 87 ARG C C 87 177.110 175.766 1.344 1 1 863 . 27 1 1 A 87 87 ARG CA C 87 60.810 58.610 2.200 1 1 864 . 27 1 1 A 87 87 ARG CB C 87 29.010 30.296 -1.286 1 1 865 . 27 1 1 A 87 87 ARG N N 87 126.810 122.033 4.777 1 1 867 . 27 1 1 A 88 88 ARG H H 88 7.946 7.911 0.035 1 1 868 . 27 1 1 A 88 88 ARG HA H 88 4.459 4.516 -0.057 1 1 876 . 27 1 1 A 88 88 ARG C C 88 172.990 175.937 -2.947 1 1 877 . 27 1 1 A 88 88 ARG CA C 88 55.060 54.949 0.111 1 1 878 . 27 1 1 A 88 88 ARG CB C 88 29.770 30.440 -0.670 1 1 879 . 27 1 1 A 88 88 ARG N N 88 115.670 118.988 -3.318 1 1 881 . 27 1 1 A 89 89 HIS H H 89 7.613 8.685 -1.072 1 1 882 . 27 1 1 A 89 89 HIS HA H 89 4.437 4.551 -0.114 1 1 888 . 27 1 1 A 89 89 HIS C C 89 174.050 175.009 -0.959 1 1 889 . 27 1 1 A 89 89 HIS CA C 89 58.420 58.139 0.281 1 1 890 . 27 1 1 A 89 89 HIS CB C 89 32.620 31.797 0.823 1 1 891 . 27 1 1 A 89 89 HIS N N 89 124.000 126.286 -2.286 1 1 893 . 27 1 1 A 90 90 ALA H H 90 8.454 7.448 1.006 1 1 894 . 27 1 1 A 90 90 ALA HA H 90 5.529 4.439 1.090 1 1 898 . 27 1 1 A 90 90 ALA C C 90 176.260 174.979 1.281 1 1 899 . 27 1 1 A 90 90 ALA CA C 90 50.240 51.259 -1.019 1 1 900 . 27 1 1 A 90 90 ALA CB C 90 23.220 23.169 0.051 1 1 901 . 27 1 1 A 90 90 ALA N N 90 116.480 118.014 -1.534 1 1 902 . 27 1 1 A 91 91 GLU H H 91 9.216 9.102 0.114 1 1 903 . 27 1 1 A 91 91 GLU HA H 91 4.931 5.245 -0.314 1 1 908 . 27 1 1 A 91 91 GLU C C 91 173.910 174.246 -0.336 1 1 909 . 27 1 1 A 91 91 GLU CA C 91 54.690 54.693 -0.003 1 1 910 . 27 1 1 A 91 91 GLU CB C 91 34.720 33.196 1.524 1 1 911 . 27 1 1 A 91 91 GLU N N 91 118.140 117.003 1.137 1 1 912 . 27 1 1 A 92 92 PHE H H 92 9.330 9.715 -0.385 1 1 913 . 27 1 1 A 92 92 PHE HA H 92 5.502 5.212 0.290 1 1 921 . 27 1 1 A 92 92 PHE C C 92 176.650 174.827 1.823 1 1 922 . 27 1 1 A 92 92 PHE CA C 92 56.760 56.845 -0.085 1 1 923 . 27 1 1 A 92 92 PHE CB C 92 41.690 41.146 0.544 1 1 924 . 27 1 1 A 92 92 PHE N N 92 119.490 121.708 -2.218 1 1 925 . 27 1 1 A 93 93 ARG H H 93 9.846 9.313 0.533 1 1 926 . 27 1 1 A 93 93 ARG HA H 93 5.610 5.138 0.472 1 1 934 . 27 1 1 A 93 93 ARG C C 93 175.010 175.290 -0.280 1 1 935 . 27 1 1 A 93 93 ARG CA C 93 54.580 55.446 -0.866 1 1 936 . 27 1 1 A 93 93 ARG CB C 93 34.220 31.593 2.627 1 1 937 . 27 1 1 A 93 93 ARG N N 93 127.300 123.270 4.030 1 1 939 . 27 1 1 A 94 94 ILE H H 94 8.521 9.202 -0.681 1 1 940 . 27 1 1 A 94 94 ILE HA H 94 4.410 5.165 -0.755 1 1 950 . 27 1 1 A 94 94 ILE C C 94 176.420 174.685 1.735 1 1 951 . 27 1 1 A 94 94 ILE CA C 94 61.130 60.276 0.854 1 1 952 . 27 1 1 A 94 94 ILE CB C 94 38.830 38.652 0.178 1 1 953 . 27 1 1 A 94 94 ILE N N 94 121.680 126.078 -4.398 1 1 954 . 27 1 1 A 95 95 ASN H H 95 8.847 9.294 -0.447 1 1 955 . 27 1 1 A 95 95 ASN HA H 95 4.796 5.125 -0.329 1 1 960 . 27 1 1 A 95 95 ASN C C 95 174.430 174.276 0.154 1 1 961 . 27 1 1 A 95 95 ASN CA C 95 52.560 52.423 0.137 1 1 962 . 27 1 1 A 95 95 ASN CB C 95 40.510 40.903 -0.393 1 1 963 . 27 1 1 A 95 95 ASN N N 95 127.100 125.185 1.915 1 1 965 . 27 1 1 A 96 96 GLU H H 96 9.303 9.490 -0.187 1 1 966 . 27 1 1 A 96 96 GLU HA H 96 3.768 4.013 -0.245 1 1 971 . 27 1 1 A 96 96 GLU C C 96 176.280 176.404 -0.124 1 1 972 . 27 1 1 A 96 96 GLU CA C 96 57.150 57.635 -0.485 1 1 973 . 27 1 1 A 96 96 GLU CB C 96 27.590 28.118 -0.528 1 1 974 . 27 1 1 A 96 96 GLU N N 96 125.150 127.228 -2.078 1 1 975 . 27 1 1 A 97 97 GLY H H 97 7.937 8.419 -0.482 1 1 976 . 27 1 1 A 97 97 GLY HA2 H 97 4.042 3.730 0.312 1 1 977 . 27 1 1 A 97 97 GLY HA3 H 97 3.450 3.738 -0.288 1 1 978 . 27 1 1 A 97 97 GLY C C 97 172.990 173.330 -0.340 1 1 979 . 27 1 1 A 97 97 GLY CA C 97 45.390 45.165 0.225 1 1 980 . 27 1 1 A 97 97 GLY N N 97 104.330 104.639 -0.309 1 1 981 . 27 1 1 A 98 98 GLU H H 98 7.557 7.889 -0.332 1 1 982 . 27 1 1 A 98 98 GLU HA H 98 4.591 4.234 0.357 1 1 987 . 27 1 1 A 98 98 GLU C C 98 174.530 175.467 -0.937 1 1 988 . 27 1 1 A 98 98 GLU CA C 98 54.770 54.363 0.407 1 1 989 . 27 1 1 A 98 98 GLU CB C 98 32.290 31.671 0.619 1 1 990 . 27 1 1 A 98 98 GLU N N 98 119.350 119.744 -0.394 1 1 991 . 27 1 1 A 99 99 PHE H H 99 9.412 8.815 0.597 1 1 992 . 27 1 1 A 99 99 PHE HA H 99 5.007 5.277 -0.270 1 1 999 . 27 1 1 A 99 99 PHE C C 99 174.050 174.468 -0.418 1 1 1000 . 27 1 1 A 99 99 PHE CA C 99 57.260 56.618 0.642 1 1 1001 . 27 1 1 A 99 99 PHE CB C 99 42.110 41.548 0.562 1 1 1002 . 27 1 1 A 99 99 PHE N N 99 122.550 120.633 1.917 1 1 1003 . 27 1 1 A 100 100 GLU H H 100 9.444 9.244 0.200 1 1 1004 . 27 1 1 A 100 100 GLU HA H 100 5.145 5.035 0.110 1 1 1009 . 27 1 1 A 100 100 GLU C C 100 175.340 175.160 0.180 1 1 1010 . 27 1 1 A 100 100 GLU CA C 100 54.080 55.465 -1.385 1 1 1011 . 27 1 1 A 100 100 GLU CB C 100 34.720 32.240 2.480 1 1 1012 . 27 1 1 A 100 100 GLU N N 100 124.080 123.264 0.816 1 1 1013 . 27 1 1 A 101 101 VAL H H 101 8.726 9.346 -0.620 1 1 1014 . 27 1 1 A 101 101 VAL HA H 101 4.900 4.457 0.443 1 1 1022 . 27 1 1 A 101 101 VAL C C 101 172.510 174.629 -2.119 1 1 1023 . 27 1 1 A 101 101 VAL CA C 101 58.710 61.087 -2.377 1 1 1024 . 27 1 1 A 101 101 VAL CB C 101 33.550 33.111 0.439 1 1 1025 . 27 1 1 A 101 101 VAL N N 101 124.500 125.153 -0.653 1 1 1026 . 27 1 1 A 102 102 VAL H H 102 8.719 9.177 -0.458 1 1 1027 . 27 1 1 A 102 102 VAL HA H 102 4.578 4.681 -0.103 1 1 1035 . 27 1 1 A 102 102 VAL C C 102 175.380 173.599 1.781 1 1 1036 . 27 1 1 A 102 102 VAL CA C 102 60.370 60.687 -0.317 1 1 1037 . 27 1 1 A 102 102 VAL CB C 102 36.060 34.366 1.694 1 1 1038 . 27 1 1 A 102 102 VAL N N 102 125.900 127.738 -1.838 1 1 1039 . 27 1 1 A 103 103 ASP H H 103 8.626 9.413 -0.787 1 1 1040 . 27 1 1 A 103 103 ASP HA H 103 4.856 4.552 0.304 1 1 1043 . 27 1 1 A 103 103 ASP C C 103 177.300 176.692 0.608 1 1 1044 . 27 1 1 A 103 103 ASP CA C 103 54.580 53.771 0.809 1 1 1045 . 27 1 1 A 103 103 ASP CB C 103 44.210 42.107 2.103 1 1 1046 . 27 1 1 A 103 103 ASP N N 103 127.250 127.141 0.109 1 1 1047 . 27 1 1 A 104 104 VAL H H 104 7.890 8.808 -0.918 1 1 1048 . 27 1 1 A 104 104 VAL HA H 104 4.527 4.467 0.060 1 1 1056 . 27 1 1 A 104 104 VAL C C 104 174.490 175.578 -1.088 1 1 1057 . 27 1 1 A 104 104 VAL CA C 104 60.630 60.731 -0.101 1 1 1058 . 27 1 1 A 104 104 VAL CB C 104 29.350 33.088 -3.738 1 1 1059 . 27 1 1 A 104 104 VAL N N 104 119.270 120.225 -0.955 1 1 1060 . 27 1 1 A 105 105 GLY H H 105 8.690 7.068 1.622 1 1 1061 . 27 1 1 A 105 105 GLY HA2 H 105 4.270 4.076 0.194 1 1 1062 . 27 1 1 A 105 105 GLY HA3 H 105 3.685 4.082 -0.397 1 1 1063 . 27 1 1 A 105 105 GLY C C 105 175.490 173.392 2.098 1 1 1064 . 27 1 1 A 105 105 GLY CA C 105 45.650 45.758 -0.108 1 1 1065 . 27 1 1 A 105 105 GLY N N 105 111.790 109.877 1.913 1 1 1066 . 27 1 1 A 106 106 SER H H 106 9.218 8.301 0.917 1 1 1067 . 27 1 1 A 106 106 SER HA H 106 3.894 4.451 -0.557 1 1 1070 . 27 1 1 A 106 106 SER C C 106 174.590 174.343 0.247 1 1 1071 . 27 1 1 A 106 106 SER CA C 106 58.600 57.150 1.450 1 1 1072 . 27 1 1 A 106 106 SER CB C 106 61.250 61.472 -0.222 1 1 1073 . 27 1 1 A 106 106 SER N N 106 121.540 117.595 3.945 1 1 1074 . 27 1 1 A 107 107 LEU H H 107 8.018 8.544 -0.526 1 1 1075 . 27 1 1 A 107 107 LEU HA H 107 4.240 4.417 -0.177 1 1 1085 . 27 1 1 A 107 107 LEU C C 107 179.420 177.819 1.601 1 1 1086 . 27 1 1 A 107 107 LEU CA C 107 57.590 54.982 2.608 1 1 1087 . 27 1 1 A 107 107 LEU CB C 107 42.360 42.645 -0.285 1 1 1088 . 27 1 1 A 107 107 LEU N N 107 121.520 127.567 -6.047 1 1 1089 . 27 1 1 A 108 108 ASN H H 108 8.799 7.947 0.852 1 1 1090 . 27 1 1 A 108 108 ASN HA H 108 4.986 4.969 0.017 1 1 1093 . 27 1 1 A 108 108 ASN C C 108 175.950 175.521 0.429 1 1 1094 . 27 1 1 A 108 108 ASN CA C 108 54.440 52.980 1.460 1 1 1095 . 27 1 1 A 108 108 ASN CB C 108 41.180 39.302 1.878 1 1 1096 . 27 1 1 A 108 108 ASN N N 108 111.800 114.934 -3.134 1 1 1097 . 27 1 1 A 109 109 GLY H H 109 8.025 8.010 0.015 1 1 1098 . 27 1 1 A 109 109 GLY HA2 H 109 4.237 3.808 0.429 1 1 1099 . 27 1 1 A 109 109 GLY HA3 H 109 3.621 4.017 -0.396 1 1 1100 . 27 1 1 A 109 109 GLY C C 109 173.820 174.556 -0.736 1 1 1101 . 27 1 1 A 109 109 GLY CA C 109 44.340 46.703 -2.363 1 1 1102 . 27 1 1 A 109 109 GLY N N 109 110.600 108.934 1.666 1 1 1103 . 27 1 1 A 110 110 THR H H 110 8.770 8.115 0.655 1 1 1104 . 27 1 1 A 110 110 THR HA H 110 4.797 4.301 0.496 1 1 1109 . 27 1 1 A 110 110 THR C C 110 172.570 173.709 -1.139 1 1 1110 . 27 1 1 A 110 110 THR CA C 110 64.540 63.177 1.363 1 1 1111 . 27 1 1 A 110 110 THR CB C 110 70.230 69.002 1.228 1 1 1112 . 27 1 1 A 110 110 THR N N 110 121.240 114.226 7.014 1 1 1113 . 27 1 1 A 111 111 TYR H H 111 8.272 9.486 -1.214 1 1 1114 . 27 1 1 A 111 111 TYR HA H 111 5.155 5.232 -0.077 1 1 1121 . 27 1 1 A 111 111 TYR C C 111 175.860 174.773 1.087 1 1 1122 . 27 1 1 A 111 111 TYR CA C 111 55.820 56.519 -0.699 1 1 1123 . 27 1 1 A 111 111 TYR CB C 111 41.100 42.994 -1.894 1 1 1124 . 27 1 1 A 111 111 TYR N N 111 123.680 124.831 -1.151 1 1 1125 . 27 1 1 A 112 112 VAL H H 112 9.017 9.239 -0.222 1 1 1126 . 27 1 1 A 112 112 VAL HA H 112 4.951 4.588 0.363 1 1 1134 . 27 1 1 A 112 112 VAL C C 112 176.780 176.044 0.736 1 1 1135 . 27 1 1 A 112 112 VAL CA C 112 61.130 61.221 -0.091 1 1 1136 . 27 1 1 A 112 112 VAL CB C 112 32.870 33.528 -0.658 1 1 1137 . 27 1 1 A 112 112 VAL N N 112 121.300 122.320 -1.020 1 1 1138 . 27 1 1 A 113 113 ASN H H 113 10.285 9.950 0.335 1 1 1139 . 27 1 1 A 113 113 ASN HA H 113 4.483 4.450 0.033 1 1 1144 . 27 1 1 A 113 113 ASN C C 113 174.590 174.413 0.177 1 1 1145 . 27 1 1 A 113 113 ASN CA C 113 55.160 54.740 0.420 1 1 1146 . 27 1 1 A 113 113 ASN CB C 113 37.240 36.877 0.363 1 1 1147 . 27 1 1 A 113 113 ASN N N 113 129.510 127.308 2.202 1 1 1149 . 27 1 1 A 114 114 ARG H H 114 9.459 8.580 0.879 1 1 1150 . 27 1 1 A 114 114 ARG HA H 114 3.659 3.866 -0.207 1 1 1158 . 27 1 1 A 114 114 ARG C C 114 174.900 174.871 0.029 1 1 1159 . 27 1 1 A 114 114 ARG CA C 114 58.280 57.595 0.685 1 1 1160 . 27 1 1 A 114 114 ARG CB C 114 27.250 27.699 -0.449 1 1 1161 . 27 1 1 A 114 114 ARG N N 114 106.570 109.082 -2.512 1 1 1163 . 27 1 1 A 115 115 GLU H H 115 7.827 7.873 -0.046 1 1 1164 . 27 1 1 A 115 115 GLU HA H 115 5.153 4.846 0.307 1 1 1169 . 27 1 1 A 115 115 GLU C C 115 173.950 174.360 -0.410 1 1 1170 . 27 1 1 A 115 115 GLU CA C 115 52.990 53.004 -0.014 1 1 1171 . 27 1 1 A 115 115 GLU N N 115 119.780 118.587 1.193 1 1 1172 . 27 1 1 A 116 116 PRO HA H 116 3.983 4.648 -0.665 1 1 1177 . 27 1 1 A 116 116 PRO C C 116 177.780 175.373 2.407 1 1 1178 . 27 1 1 A 116 116 PRO CA C 116 62.910 63.045 -0.135 1 1 1179 . 27 1 1 A 116 116 PRO CB C 116 31.200 31.774 -0.574 1 1 1180 . 27 1 1 A 117 117 ARG H H 117 8.414 8.751 -0.337 1 1 1181 . 27 1 1 A 117 117 ARG HA H 117 4.699 4.661 0.038 1 1 1189 . 27 1 1 A 117 117 ARG C C 117 175.260 175.214 0.046 1 1 1190 . 27 1 1 A 117 117 ARG CA C 117 52.990 55.170 -2.180 1 1 1191 . 27 1 1 A 117 117 ARG CB C 117 24.560 33.127 -8.567 1 1 1192 . 27 1 1 A 117 117 ARG N N 117 121.900 123.554 -1.654 1 1 1194 . 27 1 1 A 118 118 ASN H H 118 8.741 8.724 0.017 1 1 1195 . 27 1 1 A 118 118 ASN HA H 118 4.731 4.823 -0.092 1 1 1200 . 27 1 1 A 118 118 ASN C C 118 175.220 175.452 -0.232 1 1 1201 . 27 1 1 A 118 118 ASN CA C 118 55.090 54.603 0.487 1 1 1202 . 27 1 1 A 118 118 ASN CB C 118 38.920 40.437 -1.517 1 1 1203 . 27 1 1 A 118 118 ASN N N 118 120.190 120.587 -0.397 1 1 1205 . 27 1 1 A 119 119 ALA H H 119 7.372 7.655 -0.283 1 1 1206 . 27 1 1 A 119 119 ALA HA H 119 5.319 4.801 0.518 1 1 1210 . 27 1 1 A 119 119 ALA C C 119 176.720 175.099 1.621 1 1 1211 . 27 1 1 A 119 119 ALA CA C 119 52.120 51.137 0.983 1 1 1212 . 27 1 1 A 119 119 ALA CB C 119 21.460 22.441 -0.981 1 1 1213 . 27 1 1 A 119 119 ALA N N 119 120.380 118.366 2.014 1 1 1214 . 27 1 1 A 120 120 GLN H H 120 8.787 8.756 0.031 1 1 1215 . 27 1 1 A 120 120 GLN HA H 120 4.505 4.618 -0.113 1 1 1222 . 27 1 1 A 120 120 GLN C C 120 174.380 173.900 0.480 1 1 1223 . 27 1 1 A 120 120 GLN CA C 120 56.030 54.986 1.044 1 1 1224 . 27 1 1 A 120 120 GLN CB C 120 32.790 32.754 0.036 1 1 1225 . 27 1 1 A 120 120 GLN N N 120 121.180 121.709 -0.529 1 1 1227 . 27 1 1 A 121 121 VAL H H 121 8.692 8.772 -0.080 1 1 1228 . 27 1 1 A 121 121 VAL HA H 121 4.258 4.316 -0.058 1 1 1236 . 27 1 1 A 121 121 VAL C C 121 176.510 175.081 1.429 1 1 1237 . 27 1 1 A 121 121 VAL CA C 121 64.140 62.206 1.934 1 1 1238 . 27 1 1 A 121 121 VAL CB C 121 31.700 32.141 -0.441 1 1 1239 . 27 1 1 A 121 121 VAL N N 121 129.930 126.294 3.636 1 1 1240 . 27 1 1 A 122 122 MET H H 122 8.924 9.045 -0.121 1 1 1241 . 27 1 1 A 122 122 MET HA H 122 4.419 4.942 -0.523 1 1 1249 . 27 1 1 A 122 122 MET C C 122 174.380 175.462 -1.082 1 1 1250 . 27 1 1 A 122 122 MET CA C 122 55.740 53.861 1.879 1 1 1251 . 27 1 1 A 122 122 MET CB C 122 35.140 34.012 1.128 1 1 1252 . 27 1 1 A 122 122 MET N N 122 129.560 127.313 2.247 1 1 1253 . 27 1 1 A 123 123 GLN H H 123 9.002 8.887 0.115 1 1 1254 . 27 1 1 A 123 123 GLN HA H 123 4.823 5.020 -0.197 1 1 1261 . 27 1 1 A 123 123 GLN C C 123 175.530 175.811 -0.281 1 1 1262 . 27 1 1 A 123 123 GLN CA C 123 53.570 54.480 -0.910 1 1 1263 . 27 1 1 A 123 123 GLN CB C 123 32.290 32.811 -0.521 1 1 1264 . 27 1 1 A 123 123 GLN N N 123 119.810 124.672 -4.862 1 1 1266 . 27 1 1 A 124 124 THR H H 124 9.036 8.743 0.293 1 1 1267 . 27 1 1 A 124 124 THR HA H 124 4.208 3.968 0.240 1 1 1272 . 27 1 1 A 124 124 THR C C 124 175.300 175.883 -0.583 1 1 1273 . 27 1 1 A 124 124 THR CA C 124 65.510 65.338 0.172 1 1 1274 . 27 1 1 A 124 124 THR CB C 124 69.560 68.228 1.332 1 1 1275 . 27 1 1 A 124 124 THR N N 124 119.570 117.934 1.636 1 1 1276 . 27 1 1 A 125 125 GLY H H 125 9.921 9.559 0.362 1 1 1277 . 27 1 1 A 125 125 GLY HA2 H 125 4.552 4.076 0.476 1 1 1278 . 27 1 1 A 125 125 GLY HA3 H 125 3.480 4.078 -0.598 1 1 1279 . 27 1 1 A 125 125 GLY C C 125 174.650 174.162 0.488 1 1 1280 . 27 1 1 A 125 125 GLY CA C 125 44.710 44.973 -0.263 1 1 1281 . 27 1 1 A 125 125 GLY N N 125 117.920 115.102 2.818 1 1 1282 . 27 1 1 A 126 126 ASP H H 126 8.638 8.200 0.438 1 1 1283 . 27 1 1 A 126 126 ASP HA H 126 4.876 4.685 0.191 1 1 1286 . 27 1 1 A 126 126 ASP C C 126 174.650 175.507 -0.857 1 1 1287 . 27 1 1 A 126 126 ASP CA C 126 56.140 54.354 1.786 1 1 1288 . 27 1 1 A 126 126 ASP CB C 126 41.690 42.461 -0.771 1 1 1289 . 27 1 1 A 126 126 ASP N N 126 123.190 122.374 0.816 1 1 1290 . 27 1 1 A 127 127 GLU H H 127 8.316 9.074 -0.758 1 1 1291 . 27 1 1 A 127 127 GLU HA H 127 5.341 5.240 0.101 1 1 1296 . 27 1 1 A 127 127 GLU C C 127 175.990 174.936 1.054 1 1 1297 . 27 1 1 A 127 127 GLU CA C 127 54.440 54.883 -0.443 1 1 1298 . 27 1 1 A 127 127 GLU CB C 127 32.790 32.999 -0.209 1 1 1299 . 27 1 1 A 127 127 GLU N N 127 118.480 122.319 -3.839 1 1 1300 . 27 1 1 A 128 128 ILE H H 128 9.910 9.369 0.541 1 1 1301 . 27 1 1 A 128 128 ILE HA H 128 5.334 4.807 0.527 1 1 1311 . 27 1 1 A 128 128 ILE C C 128 174.700 174.501 0.199 1 1 1312 . 27 1 1 A 128 128 ILE CA C 128 59.470 60.376 -0.906 1 1 1313 . 27 1 1 A 128 128 ILE CB C 128 40.600 39.532 1.068 1 1 1314 . 27 1 1 A 128 128 ILE N N 128 128.810 125.081 3.729 1 1 1315 . 27 1 1 A 129 129 GLN H H 129 9.502 9.525 -0.023 1 1 1316 . 27 1 1 A 129 129 GLN HA H 129 5.406 5.298 0.108 1 1 1323 . 27 1 1 A 129 129 GLN C C 129 174.950 174.664 0.286 1 1 1324 . 27 1 1 A 129 129 GLN CA C 129 54.800 54.336 0.464 1 1 1325 . 27 1 1 A 129 129 GLN CB C 129 30.690 32.325 -1.635 1 1 1326 . 27 1 1 A 129 129 GLN N N 129 129.270 128.389 0.881 1 1 1328 . 27 1 1 A 130 130 ILE H H 130 8.498 8.755 -0.257 1 1 1329 . 27 1 1 A 130 130 ILE HA H 130 4.116 4.894 -0.778 1 1 1339 . 27 1 1 A 130 130 ILE C C 130 174.860 176.164 -1.304 1 1 1340 . 27 1 1 A 130 130 ILE CA C 130 60.740 59.766 0.974 1 1 1341 . 27 1 1 A 130 130 ILE CB C 130 41.440 41.765 -0.325 1 1 1342 . 27 1 1 A 130 130 ILE N N 130 129.070 126.476 2.594 1 1 1343 . 27 1 1 A 131 131 GLY H H 131 9.924 8.120 1.804 1 1 1344 . 27 1 1 A 131 131 GLY HA2 H 131 3.768 3.451 0.317 1 1 1345 . 27 1 1 A 131 131 GLY HA3 H 131 3.337 3.742 -0.405 1 1 1346 . 27 1 1 A 131 131 GLY C C 131 174.590 175.280 -0.690 1 1 1347 . 27 1 1 A 131 131 GLY CA C 131 46.700 46.626 0.074 1 1 1348 . 27 1 1 A 131 131 GLY N N 131 116.470 113.042 3.428 1 1 1349 . 27 1 1 A 132 132 LYS H H 132 7.141 8.921 -1.780 1 1 1350 . 27 1 1 A 132 132 LYS HA H 132 3.750 3.872 -0.122 1 1 1357 . 27 1 1 A 132 132 LYS C C 132 175.820 174.870 0.950 1 1 1358 . 27 1 1 A 132 132 LYS CA C 132 57.550 57.613 -0.063 1 1 1359 . 27 1 1 A 132 132 LYS CB C 132 33.300 30.050 3.250 1 1 1360 . 27 1 1 A 132 132 LYS N N 132 122.960 119.337 3.623 1 1 1361 . 27 1 1 A 133 133 PHE H H 133 8.360 8.470 -0.110 1 1 1362 . 27 1 1 A 133 133 PHE HA H 133 4.601 5.384 -0.783 1 1 1370 . 27 1 1 A 133 133 PHE C C 133 174.910 174.767 0.143 1 1 1371 . 27 1 1 A 133 133 PHE CA C 133 58.600 56.058 2.542 1 1 1372 . 27 1 1 A 133 133 PHE CB C 133 40.510 42.958 -2.448 1 1 1373 . 27 1 1 A 133 133 PHE N N 133 118.170 118.465 -0.295 1 1 1374 . 27 1 1 A 134 134 ARG H H 134 8.698 8.823 -0.125 1 1 1375 . 27 1 1 A 134 134 ARG HA H 134 5.212 5.216 -0.004 1 1 1383 . 27 1 1 A 134 134 ARG C C 134 175.150 174.895 0.255 1 1 1384 . 27 1 1 A 134 134 ARG CA C 134 55.060 54.831 0.229 1 1 1385 . 27 1 1 A 134 134 ARG CB C 134 33.550 32.924 0.626 1 1 1386 . 27 1 1 A 134 134 ARG N N 134 120.770 120.720 0.050 1 1 1388 . 27 1 1 A 135 135 LEU H H 135 9.904 9.308 0.596 1 1 1389 . 27 1 1 A 135 135 LEU HA H 135 5.544 5.404 0.140 1 1 1399 . 27 1 1 A 135 135 LEU C C 135 175.260 175.475 -0.215 1 1 1400 . 27 1 1 A 135 135 LEU CA C 135 53.930 53.590 0.340 1 1 1401 . 27 1 1 A 135 135 LEU CB C 135 45.550 45.256 0.294 1 1 1402 . 27 1 1 A 135 135 LEU N N 135 127.130 125.507 1.623 1 1 1403 . 27 1 1 A 136 136 VAL H H 136 9.350 9.395 -0.045 1 1 1404 . 27 1 1 A 136 136 VAL HA H 136 5.226 4.846 0.380 1 1 1412 . 27 1 1 A 136 136 VAL C C 136 174.050 174.068 -0.018 1 1 1413 . 27 1 1 A 136 136 VAL CA C 136 60.520 60.351 0.169 1 1 1414 . 27 1 1 A 136 136 VAL CB C 136 34.890 33.956 0.934 1 1 1415 . 27 1 1 A 136 136 VAL N N 136 121.300 123.953 -2.653 1 1 1416 . 27 1 1 A 137 137 PHE H H 137 8.492 9.524 -1.032 1 1 1417 . 27 1 1 A 137 137 PHE HA H 137 5.007 5.075 -0.068 1 1 1424 . 27 1 1 A 137 137 PHE C C 137 173.340 173.980 -0.640 1 1 1425 . 27 1 1 A 137 137 PHE CA C 137 57.010 56.363 0.647 1 1 1426 . 27 1 1 A 137 137 PHE CB C 137 41.770 41.556 0.214 1 1 1427 . 27 1 1 A 137 137 PHE N N 137 127.550 128.573 -1.023 1 1 1428 . 27 1 1 A 138 138 LEU H H 138 8.535 8.401 0.134 1 1 1429 . 27 1 1 A 138 138 LEU HA H 138 4.345 4.760 -0.415 1 1 1439 . 27 1 1 A 138 138 LEU C C 138 173.390 175.586 -2.196 1 1 1440 . 27 1 1 A 138 138 LEU CA C 138 53.680 53.284 0.396 1 1 1441 . 27 1 1 A 138 138 LEU CB C 138 45.210 45.461 -0.251 1 1 1442 . 27 1 1 A 138 138 LEU N N 138 128.590 127.733 0.857 1 1 1443 . 27 1 1 A 139 139 ALA H H 139 7.502 8.647 -1.145 1 1 1444 . 27 1 1 A 139 139 ALA HA H 139 3.952 4.047 -0.095 1 1 1448 . 27 1 1 A 139 139 ALA C C 139 178.010 177.628 0.382 1 1 1449 . 27 1 1 A 139 139 ALA CA C 139 51.650 51.552 0.098 1 1 1450 . 27 1 1 A 139 139 ALA CB C 139 20.700 19.429 1.271 1 1 1451 . 27 1 1 A 139 139 ALA N N 139 123.250 127.077 -3.827 1 1 1452 . 27 1 1 A 140 140 GLY H H 140 7.968 8.754 -0.786 1 1 1453 . 27 1 1 A 140 140 GLY HA2 H 140 4.202 3.901 0.301 1 1 1454 . 27 1 1 A 140 140 GLY HA3 H 140 3.595 3.950 -0.355 1 1 1455 . 27 1 1 A 140 140 GLY C C 140 171.240 173.619 -2.379 1 1 1456 . 27 1 1 A 140 140 GLY CA C 140 44.710 45.332 -0.622 1 1 1457 . 27 1 1 A 140 140 GLY N N 140 108.040 106.986 1.054 1 1 1458 . 27 1 1 A 141 141 PRO HA H 141 4.460 4.517 -0.057 1 1 1463 . 27 1 1 A 141 141 PRO C C 141 176.150 176.583 -0.433 1 1 1464 . 27 1 1 A 141 141 PRO CA C 141 63.230 62.942 0.288 1 1 1465 . 27 1 1 A 141 141 PRO CB C 141 32.370 32.423 -0.053 1 1 1466 . 27 1 1 A 142 142 ALA H H 142 8.496 8.475 0.021 1 1 1467 . 27 1 1 A 142 142 ALA HA H 142 4.363 4.399 -0.036 1 1 1471 . 27 1 1 A 142 142 ALA C C 142 177.320 177.241 0.079 1 1 1472 . 27 1 1 A 142 142 ALA CA C 142 52.740 51.923 0.817 1 1 1473 . 27 1 1 A 142 142 ALA CB C 142 19.780 17.817 1.963 1 1 1474 . 27 1 1 A 142 142 ALA N N 142 124.080 124.636 -0.556 1 1 4 . 28 1 1 A 2 2 SER H H 2 8.404 8.768 -0.364 1 1 5 . 28 1 1 A 2 2 SER HA H 2 4.430 4.625 -0.195 1 1 8 . 28 1 1 A 2 2 SER C C 2 174.220 173.819 0.401 1 1 9 . 28 1 1 A 2 2 SER CA C 2 58.650 59.408 -0.758 1 1 10 . 28 1 1 A 2 2 SER CB C 2 64.280 62.911 1.369 1 1 11 . 28 1 1 A 2 2 SER N N 2 116.880 118.592 -1.712 1 1 12 . 28 1 1 A 3 3 ASP H H 3 8.314 8.923 -0.609 1 1 13 . 28 1 1 A 3 3 ASP HA H 3 4.594 5.048 -0.454 1 1 16 . 28 1 1 A 3 3 ASP C C 3 176.070 175.088 0.982 1 1 17 . 28 1 1 A 3 3 ASP CA C 3 54.580 53.294 1.286 1 1 18 . 28 1 1 A 3 3 ASP CB C 3 41.530 43.117 -1.587 1 1 19 . 28 1 1 A 3 3 ASP N N 3 122.210 126.083 -3.873 1 1 20 . 28 1 1 A 4 4 ASN H H 4 8.326 8.695 -0.369 1 1 21 . 28 1 1 A 4 4 ASN HA H 4 4.748 4.968 -0.220 1 1 24 . 28 1 1 A 4 4 ASN C C 4 175.130 173.928 1.202 1 1 25 . 28 1 1 A 4 4 ASN CA C 4 53.430 52.207 1.223 1 1 26 . 28 1 1 A 4 4 ASN CB C 4 38.920 38.801 0.119 1 1 27 . 28 1 1 A 4 4 ASN N N 4 118.670 121.269 -2.599 1 1 28 . 28 1 1 A 5 5 ASN H H 5 8.467 8.889 -0.422 1 1 29 . 28 1 1 A 5 5 ASN HA H 5 4.702 5.211 -0.509 1 1 32 . 28 1 1 A 5 5 ASN C C 5 175.700 176.171 -0.471 1 1 33 . 28 1 1 A 5 5 ASN CA C 5 53.610 52.355 1.255 1 1 34 . 28 1 1 A 5 5 ASN CB C 5 39.090 39.942 -0.852 1 1 35 . 28 1 1 A 5 5 ASN N N 5 119.070 123.934 -4.864 1 1 36 . 28 1 1 A 6 6 GLY H H 6 8.333 8.827 -0.494 1 1 37 . 28 1 1 A 6 6 GLY HA2 H 6 3.960 3.968 -0.008 1 1 38 . 28 1 1 A 6 6 GLY HA3 H 6 3.960 3.970 -0.010 1 1 39 . 28 1 1 A 6 6 GLY C C 6 174.050 174.172 -0.122 1 1 40 . 28 1 1 A 6 6 GLY CA C 6 45.390 45.176 0.214 1 1 41 . 28 1 1 A 6 6 GLY N N 6 109.000 111.376 -2.376 1 1 42 . 28 1 1 A 7 7 THR H H 7 8.076 7.726 0.350 1 1 43 . 28 1 1 A 7 7 THR HA H 7 4.591 4.536 0.055 1 1 48 . 28 1 1 A 7 7 THR C C 7 172.840 173.641 -0.801 1 1 49 . 28 1 1 A 7 7 THR CA C 7 60.050 59.500 0.550 1 1 50 . 28 1 1 A 7 7 THR N N 7 116.910 116.980 -0.070 1 1 51 . 28 1 1 A 8 8 PRO HA H 8 4.414 4.551 -0.137 1 1 54 . 28 1 1 A 8 8 PRO C C 8 176.690 176.769 -0.079 1 1 55 . 28 1 1 A 8 8 PRO CA C 8 63.090 62.329 0.761 1 1 56 . 28 1 1 A 8 8 PRO CB C 8 32.290 32.190 0.100 1 1 57 . 28 1 1 A 9 9 GLU H H 9 8.467 8.455 0.012 1 1 58 . 28 1 1 A 9 9 GLU HA H 9 4.527 4.507 0.020 1 1 63 . 28 1 1 A 9 9 GLU C C 9 174.680 175.460 -0.780 1 1 64 . 28 1 1 A 9 9 GLU CA C 9 54.550 54.930 -0.380 1 1 65 . 28 1 1 A 9 9 GLU N N 9 122.910 119.804 3.106 1 1 66 . 28 1 1 A 10 10 PRO HA H 10 4.371 4.629 -0.258 1 1 71 . 28 1 1 A 10 10 PRO C C 10 176.820 176.109 0.711 1 1 72 . 28 1 1 A 10 10 PRO CA C 10 63.300 63.033 0.267 1 1 73 . 28 1 1 A 10 10 PRO CB C 10 32.290 32.208 0.082 1 1 74 . 28 1 1 A 11 11 GLN H H 11 8.543 8.378 0.165 1 1 75 . 28 1 1 A 11 11 GLN HA H 11 4.334 4.920 -0.586 1 1 82 . 28 1 1 A 11 11 GLN C C 11 176.010 174.580 1.430 1 1 83 . 28 1 1 A 11 11 GLN CA C 11 55.710 54.352 1.358 1 1 84 . 28 1 1 A 11 11 GLN CB C 11 29.520 31.464 -1.944 1 1 85 . 28 1 1 A 11 11 GLN N N 11 121.100 117.879 3.221 1 1 87 . 28 1 1 A 12 12 VAL H H 12 8.201 8.738 -0.537 1 1 88 . 28 1 1 A 12 12 VAL HA H 12 4.144 4.921 -0.777 1 1 96 . 28 1 1 A 12 12 VAL C C 12 175.940 174.533 1.407 1 1 97 . 28 1 1 A 12 12 VAL CA C 12 62.110 61.063 1.047 1 1 98 . 28 1 1 A 12 12 VAL CB C 12 32.800 33.725 -0.925 1 1 99 . 28 1 1 A 12 12 VAL N N 12 122.070 123.072 -1.002 1 1 100 . 28 1 1 A 13 13 GLU H H 13 8.593 8.648 -0.055 1 1 101 . 28 1 1 A 13 13 GLU HA H 13 4.329 4.716 -0.387 1 1 106 . 28 1 1 A 13 13 GLU C C 13 176.720 174.407 2.313 1 1 107 . 28 1 1 A 13 13 GLU CA C 13 56.830 54.998 1.832 1 1 108 . 28 1 1 A 13 13 GLU CB C 13 30.860 34.124 -3.264 1 1 109 . 28 1 1 A 13 13 GLU N N 13 124.660 126.380 -1.720 1 1 138 . 28 1 1 A 17 17 VAL H H 17 8.458 8.556 -0.098 1 1 139 . 28 1 1 A 17 17 VAL HA H 17 4.183 4.362 -0.179 1 1 147 . 28 1 1 A 17 17 VAL C C 17 175.950 175.690 0.260 1 1 148 . 28 1 1 A 17 17 VAL CA C 17 63.780 62.391 1.389 1 1 149 . 28 1 1 A 17 17 VAL CB C 17 32.460 31.939 0.521 1 1 150 . 28 1 1 A 17 17 VAL N N 17 124.860 125.488 -0.628 1 1 151 . 28 1 1 A 18 18 PHE H H 18 8.579 8.922 -0.343 1 1 152 . 28 1 1 A 18 18 PHE HA H 18 4.650 4.794 -0.144 1 1 160 . 28 1 1 A 18 18 PHE C C 18 173.450 175.730 -2.280 1 1 161 . 28 1 1 A 18 18 PHE CA C 18 57.480 57.745 -0.265 1 1 162 . 28 1 1 A 18 18 PHE CB C 18 41.950 40.361 1.589 1 1 163 . 28 1 1 A 18 18 PHE N N 18 127.160 126.838 0.322 1 1 164 . 28 1 1 A 19 19 ARG H H 19 7.920 8.872 -0.952 1 1 165 . 28 1 1 A 19 19 ARG HA H 19 4.196 4.577 -0.381 1 1 170 . 28 1 1 A 19 19 ARG C C 19 174.930 175.913 -0.983 1 1 171 . 28 1 1 A 19 19 ARG CA C 19 54.800 56.121 -1.321 1 1 172 . 28 1 1 A 19 19 ARG CB C 19 30.610 31.110 -0.500 1 1 173 . 28 1 1 A 19 19 ARG N N 19 127.500 124.198 3.302 1 1 174 . 28 1 1 A 20 20 ALA H H 20 8.067 8.762 -0.695 1 1 175 . 28 1 1 A 20 20 ALA HA H 20 3.729 4.426 -0.697 1 1 179 . 28 1 1 A 20 20 ALA C C 20 177.630 177.591 0.039 1 1 180 . 28 1 1 A 20 20 ALA CA C 20 53.280 51.694 1.586 1 1 181 . 28 1 1 A 20 20 ALA CB C 20 18.860 17.927 0.933 1 1 182 . 28 1 1 A 20 20 ALA N N 20 126.460 129.136 -2.676 1 1 183 . 28 1 1 A 21 21 ASP H H 21 8.355 8.648 -0.293 1 1 184 . 28 1 1 A 21 21 ASP HA H 21 4.350 4.544 -0.194 1 1 187 . 28 1 1 A 21 21 ASP C C 21 176.720 177.763 -1.043 1 1 188 . 28 1 1 A 21 21 ASP CA C 21 54.480 56.018 -1.538 1 1 189 . 28 1 1 A 21 21 ASP CB C 21 40.350 40.470 -0.120 1 1 190 . 28 1 1 A 21 21 ASP N N 21 117.850 122.981 -5.131 1 1 191 . 28 1 1 A 22 22 LEU H H 22 7.705 7.830 -0.125 1 1 192 . 28 1 1 A 22 22 LEU HA H 22 4.088 4.229 -0.141 1 1 202 . 28 1 1 A 22 22 LEU C C 22 177.760 178.561 -0.801 1 1 203 . 28 1 1 A 22 22 LEU CA C 22 55.780 57.122 -1.342 1 1 204 . 28 1 1 A 22 22 LEU CB C 22 41.860 41.575 0.285 1 1 205 . 28 1 1 A 22 22 LEU N N 22 121.600 118.021 3.579 1 1 206 . 28 1 1 A 23 23 LEU H H 23 7.717 7.817 -0.100 1 1 207 . 28 1 1 A 23 23 LEU HA H 23 4.166 3.929 0.237 1 1 217 . 28 1 1 A 23 23 LEU C C 23 177.840 178.360 -0.520 1 1 218 . 28 1 1 A 23 23 LEU CA C 23 55.960 57.919 -1.959 1 1 219 . 28 1 1 A 23 23 LEU CB C 23 41.950 41.081 0.869 1 1 220 . 28 1 1 A 23 23 LEU N N 23 120.360 121.464 -1.104 1 1 221 . 28 1 1 A 24 24 LYS H H 24 7.933 7.600 0.333 1 1 222 . 28 1 1 A 24 24 LYS HA H 24 4.174 4.207 -0.033 1 1 229 . 28 1 1 A 24 24 LYS C C 24 177.190 177.135 0.055 1 1 230 . 28 1 1 A 24 24 LYS CA C 24 57.050 58.195 -1.145 1 1 231 . 28 1 1 A 24 24 LYS CB C 24 32.880 32.135 0.745 1 1 232 . 28 1 1 A 24 24 LYS N N 24 121.120 119.407 1.713 1 1 233 . 28 1 1 A 25 25 GLU H H 25 8.160 7.838 0.322 1 1 234 . 28 1 1 A 25 25 GLU HA H 25 4.199 4.374 -0.175 1 1 239 . 28 1 1 A 25 25 GLU C C 25 176.900 178.193 -1.293 1 1 240 . 28 1 1 A 25 25 GLU CA C 25 57.010 57.848 -0.838 1 1 241 . 28 1 1 A 25 25 GLU CB C 25 30.280 30.532 -0.252 1 1 242 . 28 1 1 A 25 25 GLU N N 25 121.550 117.542 4.008 1 1 243 . 28 1 1 A 26 26 MET H H 26 8.270 8.239 0.031 1 1 244 . 28 1 1 A 26 26 MET HA H 26 4.360 4.197 0.163 1 1 252 . 28 1 1 A 26 26 MET C C 26 176.440 178.138 -1.698 1 1 253 . 28 1 1 A 26 26 MET CA C 26 56.180 56.571 -0.391 1 1 254 . 28 1 1 A 26 26 MET CB C 26 33.050 31.718 1.332 1 1 255 . 28 1 1 A 26 26 MET N N 26 120.730 118.942 1.788 1 1 256 . 28 1 1 A 27 27 GLU H H 27 8.297 8.038 0.259 1 1 257 . 28 1 1 A 27 27 GLU HA H 27 4.264 4.012 0.252 1 1 262 . 28 1 1 A 27 27 GLU C C 27 176.650 178.641 -1.991 1 1 263 . 28 1 1 A 27 27 GLU CA C 27 56.830 59.530 -2.700 1 1 264 . 28 1 1 A 27 27 GLU CB C 27 30.530 29.411 1.119 1 1 265 . 28 1 1 A 27 27 GLU N N 27 121.650 120.879 0.771 1 1 266 . 28 1 1 A 28 28 SER H H 28 8.279 7.993 0.286 1 1 267 . 28 1 1 A 28 28 SER HA H 28 4.473 4.366 0.107 1 1 270 . 28 1 1 A 28 28 SER C C 28 174.760 175.411 -0.651 1 1 271 . 28 1 1 A 28 28 SER CA C 28 58.460 60.720 -2.260 1 1 272 . 28 1 1 A 28 28 SER CB C 28 64.190 63.367 0.823 1 1 273 . 28 1 1 A 28 28 SER N N 28 116.610 116.304 0.306 1 1 274 . 28 1 1 A 29 29 SER H H 29 8.443 7.764 0.679 1 1 275 . 28 1 1 A 29 29 SER HA H 29 4.541 4.391 0.150 1 1 278 . 28 1 1 A 29 29 SER C C 29 174.950 174.651 0.299 1 1 279 . 28 1 1 A 29 29 SER CA C 29 58.530 60.461 -1.931 1 1 280 . 28 1 1 A 29 29 SER CB C 29 64.190 63.764 0.426 1 1 281 . 28 1 1 A 29 29 SER N N 29 118.290 114.841 3.449 1 1 282 . 28 1 1 A 30 30 THR H H 30 8.220 7.313 0.907 1 1 283 . 28 1 1 A 30 30 THR HA H 30 4.372 4.119 0.253 1 1 288 . 28 1 1 A 30 30 THR C C 30 175.280 174.696 0.584 1 1 289 . 28 1 1 A 30 30 THR CA C 30 62.260 63.958 -1.698 1 1 290 . 28 1 1 A 30 30 THR CB C 30 69.900 68.542 1.358 1 1 291 . 28 1 1 A 30 30 THR N N 30 115.600 115.990 -0.390 1 1 292 . 28 1 1 A 31 31 GLY H H 31 8.401 8.467 -0.066 1 1 293 . 28 1 1 A 31 31 GLY HA2 H 31 4.005 4.221 -0.216 1 1 294 . 28 1 1 A 31 31 GLY HA3 H 31 4.005 4.222 -0.217 1 1 295 . 28 1 1 A 31 31 GLY C C 31 174.160 171.873 2.287 1 1 296 . 28 1 1 A 31 31 GLY CA C 31 45.470 45.469 0.001 1 1 297 . 28 1 1 A 31 31 GLY N N 31 111.270 112.557 -1.287 1 1 298 . 28 1 1 A 32 32 THR H H 32 8.034 8.745 -0.711 1 1 299 . 28 1 1 A 32 32 THR HA H 32 4.319 4.573 -0.254 1 1 304 . 28 1 1 A 32 32 THR C C 32 174.130 174.047 0.083 1 1 305 . 28 1 1 A 32 32 THR CA C 32 61.710 63.419 -1.709 1 1 306 . 28 1 1 A 32 32 THR CB C 32 70.150 69.017 1.133 1 1 307 . 28 1 1 A 32 32 THR N N 32 113.770 116.217 -2.447 1 1 308 . 28 1 1 A 33 33 ALA H H 33 8.410 8.739 -0.329 1 1 309 . 28 1 1 A 33 33 ALA HA H 33 4.581 4.959 -0.378 1 1 313 . 28 1 1 A 33 33 ALA C C 33 175.490 175.068 0.422 1 1 314 . 28 1 1 A 33 33 ALA CA C 33 50.680 49.427 1.253 1 1 315 . 28 1 1 A 33 33 ALA N N 33 128.320 129.970 -1.650 1 1 316 . 28 1 1 A 34 34 PRO HA H 34 4.389 4.557 -0.168 1 1 321 . 28 1 1 A 34 34 PRO C C 34 176.650 177.183 -0.533 1 1 322 . 28 1 1 A 34 34 PRO CA C 34 63.090 62.375 0.715 1 1 323 . 28 1 1 A 34 34 PRO CB C 34 32.210 32.030 0.180 1 1 324 . 28 1 1 A 35 35 ALA H H 35 8.433 8.197 0.236 1 1 325 . 28 1 1 A 35 35 ALA HA H 35 4.275 4.543 -0.268 1 1 329 . 28 1 1 A 35 35 ALA C C 35 177.730 177.402 0.328 1 1 330 . 28 1 1 A 35 35 ALA CA C 35 52.590 51.291 1.299 1 1 331 . 28 1 1 A 35 35 ALA CB C 35 19.450 20.237 -0.787 1 1 332 . 28 1 1 A 35 35 ALA N N 35 124.330 124.048 0.282 1 1 333 . 28 1 1 A 36 36 SER H H 36 8.259 8.859 -0.600 1 1 334 . 28 1 1 A 36 36 SER HA H 36 4.474 4.653 -0.179 1 1 337 . 28 1 1 A 36 36 SER C C 36 174.860 174.237 0.623 1 1 338 . 28 1 1 A 36 36 SER CA C 36 58.130 58.878 -0.748 1 1 339 . 28 1 1 A 36 36 SER CB C 36 64.190 63.630 0.560 1 1 340 . 28 1 1 A 36 36 SER N N 36 114.560 118.707 -4.147 1 1 341 . 28 1 1 A 37 37 THR H H 37 8.325 8.709 -0.384 1 1 342 . 28 1 1 A 37 37 THR HA H 37 4.281 4.148 0.133 1 1 346 . 28 1 1 A 37 37 THR C C 37 175.110 175.005 0.105 1 1 347 . 28 1 1 A 37 37 THR CA C 37 62.260 62.273 -0.013 1 1 348 . 28 1 1 A 37 37 THR CB C 37 70.150 69.100 1.050 1 1 349 . 28 1 1 A 37 37 THR N N 37 115.300 118.012 -2.712 1 1 350 . 28 1 1 A 38 38 GLY H H 38 8.511 9.359 -0.848 1 1 351 . 28 1 1 A 38 38 GLY HA2 H 38 3.975 4.002 -0.027 1 1 352 . 28 1 1 A 38 38 GLY HA3 H 38 3.809 4.007 -0.198 1 1 353 . 28 1 1 A 38 38 GLY C C 38 174.470 175.736 -1.266 1 1 354 . 28 1 1 A 38 38 GLY CA C 38 45.470 45.191 0.279 1 1 355 . 28 1 1 A 38 38 GLY N N 38 110.440 113.008 -2.568 1 1 356 . 28 1 1 A 39 39 ALA H H 39 8.245 8.258 -0.013 1 1 357 . 28 1 1 A 39 39 ALA HA H 39 4.164 4.032 0.132 1 1 361 . 28 1 1 A 39 39 ALA C C 39 177.590 178.289 -0.699 1 1 362 . 28 1 1 A 39 39 ALA CA C 39 52.560 54.407 -1.847 1 1 363 . 28 1 1 A 39 39 ALA CB C 39 19.360 18.419 0.941 1 1 364 . 28 1 1 A 39 39 ALA N N 39 124.080 124.351 -0.271 1 1 365 . 28 1 1 A 40 40 GLU H H 40 8.721 8.100 0.621 1 1 366 . 28 1 1 A 40 40 GLU HA H 40 4.083 4.324 -0.241 1 1 371 . 28 1 1 A 40 40 GLU C C 40 176.320 177.051 -0.731 1 1 372 . 28 1 1 A 40 40 GLU CA C 40 57.910 56.947 0.963 1 1 373 . 28 1 1 A 40 40 GLU CB C 40 29.520 29.708 -0.188 1 1 374 . 28 1 1 A 40 40 GLU N N 40 118.270 114.664 3.606 1 1 375 . 28 1 1 A 41 41 ASN H H 41 8.226 7.805 0.421 1 1 376 . 28 1 1 A 41 41 ASN HA H 41 4.716 4.849 -0.133 1 1 381 . 28 1 1 A 41 41 ASN C C 41 174.800 174.351 0.449 1 1 382 . 28 1 1 A 41 41 ASN CA C 41 52.880 52.862 0.018 1 1 383 . 28 1 1 A 41 41 ASN CB C 41 38.840 38.643 0.197 1 1 384 . 28 1 1 A 41 41 ASN N N 41 117.620 117.038 0.582 1 1 386 . 28 1 1 A 42 42 LEU H H 42 7.629 7.953 -0.324 1 1 387 . 28 1 1 A 42 42 LEU HA H 42 4.418 4.097 0.321 1 1 397 . 28 1 1 A 42 42 LEU C C 42 174.610 177.128 -2.518 1 1 398 . 28 1 1 A 42 42 LEU CA C 42 53.170 55.305 -2.135 1 1 399 . 28 1 1 A 42 42 LEU N N 42 123.010 115.919 7.091 1 1 400 . 28 1 1 A 43 43 PRO HA H 43 4.366 4.517 -0.151 1 1 407 . 28 1 1 A 43 43 PRO C C 43 177.050 176.739 0.311 1 1 408 . 28 1 1 A 43 43 PRO CA C 43 62.260 64.410 -2.150 1 1 409 . 28 1 1 A 43 43 PRO CB C 43 32.380 31.951 0.429 1 1 410 . 28 1 1 A 44 44 ALA H H 44 8.552 7.657 0.895 1 1 411 . 28 1 1 A 44 44 ALA HA H 44 4.223 4.436 -0.213 1 1 415 . 28 1 1 A 44 44 ALA C C 44 179.500 178.708 0.792 1 1 416 . 28 1 1 A 44 44 ALA CA C 44 53.250 52.114 1.136 1 1 417 . 28 1 1 A 44 44 ALA CB C 44 18.190 21.261 -3.071 1 1 418 . 28 1 1 A 44 44 ALA N N 44 125.070 118.633 6.437 1 1 419 . 28 1 1 A 45 45 GLY H H 45 8.897 8.559 0.338 1 1 420 . 28 1 1 A 45 45 GLY HA2 H 45 4.214 4.010 0.204 1 1 421 . 28 1 1 A 45 45 GLY HA3 H 45 3.833 4.097 -0.264 1 1 422 . 28 1 1 A 45 45 GLY C C 45 173.720 173.428 0.292 1 1 423 . 28 1 1 A 45 45 GLY CA C 45 45.790 45.489 0.301 1 1 424 . 28 1 1 A 45 45 GLY N N 45 110.600 108.640 1.960 1 1 425 . 28 1 1 A 46 46 SER H H 46 7.690 7.755 -0.065 1 1 426 . 28 1 1 A 46 46 SER HA H 46 5.338 5.098 0.240 1 1 429 . 28 1 1 A 46 46 SER C C 46 172.990 172.236 0.754 1 1 430 . 28 1 1 A 46 46 SER CA C 46 57.810 57.191 0.619 1 1 431 . 28 1 1 A 46 46 SER CB C 46 66.960 66.617 0.343 1 1 432 . 28 1 1 A 46 46 SER N N 46 114.180 115.799 -1.619 1 1 433 . 28 1 1 A 47 47 ALA H H 47 8.435 8.735 -0.300 1 1 434 . 28 1 1 A 47 47 ALA HA H 47 4.338 4.748 -0.410 1 1 438 . 28 1 1 A 47 47 ALA C C 47 173.840 175.922 -2.082 1 1 439 . 28 1 1 A 47 47 ALA CA C 47 51.690 51.292 0.398 1 1 440 . 28 1 1 A 47 47 ALA CB C 47 24.570 23.129 1.441 1 1 441 . 28 1 1 A 47 47 ALA N N 47 120.900 124.673 -3.773 1 1 442 . 28 1 1 A 48 48 LEU H H 48 8.673 8.749 -0.076 1 1 443 . 28 1 1 A 48 48 LEU HA H 48 5.021 5.373 -0.352 1 1 453 . 28 1 1 A 48 48 LEU C C 48 174.680 175.224 -0.544 1 1 454 . 28 1 1 A 48 48 LEU CA C 48 53.350 52.676 0.674 1 1 455 . 28 1 1 A 48 48 LEU CB C 48 48.150 46.314 1.836 1 1 456 . 28 1 1 A 48 48 LEU N N 48 120.170 116.079 4.091 1 1 457 . 28 1 1 A 49 49 LEU H H 49 8.686 9.282 -0.596 1 1 458 . 28 1 1 A 49 49 LEU HA H 49 5.403 5.491 -0.088 1 1 468 . 28 1 1 A 49 49 LEU C C 49 176.170 175.164 1.006 1 1 469 . 28 1 1 A 49 49 LEU CA C 49 52.810 53.034 -0.224 1 1 470 . 28 1 1 A 49 49 LEU CB C 49 46.310 44.528 1.782 1 1 471 . 28 1 1 A 49 49 LEU N N 49 120.170 119.911 0.259 1 1 472 . 28 1 1 A 50 50 VAL H H 50 8.874 9.333 -0.459 1 1 473 . 28 1 1 A 50 50 VAL HA H 50 4.971 5.064 -0.093 1 1 481 . 28 1 1 A 50 50 VAL C C 50 176.740 174.002 2.738 1 1 482 . 28 1 1 A 50 50 VAL CA C 50 59.940 59.938 0.002 1 1 483 . 28 1 1 A 50 50 VAL CB C 50 34.970 34.265 0.705 1 1 484 . 28 1 1 A 50 50 VAL N N 50 120.580 122.479 -1.899 1 1 485 . 28 1 1 A 51 51 VAL H H 51 8.984 9.321 -0.337 1 1 486 . 28 1 1 A 51 51 VAL HA H 51 4.155 4.165 -0.010 1 1 494 . 28 1 1 A 51 51 VAL C C 51 176.050 175.715 0.335 1 1 495 . 28 1 1 A 51 51 VAL CA C 51 64.280 62.802 1.478 1 1 496 . 28 1 1 A 51 51 VAL CB C 51 31.280 31.541 -0.261 1 1 497 . 28 1 1 A 51 51 VAL N N 51 125.710 128.478 -2.768 1 1 498 . 28 1 1 A 52 52 LYS H H 52 9.444 9.039 0.405 1 1 499 . 28 1 1 A 52 52 LYS HA H 52 4.450 4.463 -0.013 1 1 506 . 28 1 1 A 52 52 LYS C C 52 176.150 176.689 -0.539 1 1 507 . 28 1 1 A 52 52 LYS CA C 52 57.050 57.011 0.039 1 1 508 . 28 1 1 A 52 52 LYS CB C 52 34.470 33.785 0.685 1 1 509 . 28 1 1 A 52 52 LYS N N 52 132.750 127.119 5.631 1 1 510 . 28 1 1 A 53 53 ARG H H 53 8.051 7.652 0.399 1 1 511 . 28 1 1 A 53 53 ARG HA H 53 4.685 4.925 -0.240 1 1 516 . 28 1 1 A 53 53 ARG C C 53 173.470 174.791 -1.321 1 1 517 . 28 1 1 A 53 53 ARG CA C 53 55.090 55.187 -0.097 1 1 518 . 28 1 1 A 53 53 ARG CB C 53 34.300 34.304 -0.004 1 1 519 . 28 1 1 A 53 53 ARG N N 53 117.320 119.122 -1.802 1 1 520 . 28 1 1 A 54 54 GLY H H 54 8.377 8.409 -0.032 1 1 521 . 28 1 1 A 54 54 GLY HA2 H 54 4.215 3.916 0.299 1 1 522 . 28 1 1 A 54 54 GLY HA3 H 54 3.503 4.079 -0.576 1 1 523 . 28 1 1 A 54 54 GLY C C 54 171.870 174.309 -2.439 1 1 524 . 28 1 1 A 54 54 GLY CA C 54 43.770 44.121 -0.351 1 1 525 . 28 1 1 A 54 54 GLY N N 54 110.960 112.177 -1.217 1 1 526 . 28 1 1 A 55 55 PRO HA H 55 4.255 4.271 -0.016 1 1 531 . 28 1 1 A 55 55 PRO C C 55 175.940 177.413 -1.473 1 1 532 . 28 1 1 A 55 55 PRO CA C 55 64.390 64.652 -0.262 1 1 533 . 28 1 1 A 55 55 PRO CB C 55 31.360 31.937 -0.577 1 1 534 . 28 1 1 A 56 56 ASN H H 56 8.202 8.307 -0.105 1 1 535 . 28 1 1 A 56 56 ASN HA H 56 4.685 4.762 -0.077 1 1 540 . 28 1 1 A 56 56 ASN C C 56 174.410 175.388 -0.978 1 1 541 . 28 1 1 A 56 56 ASN CA C 56 52.120 52.431 -0.311 1 1 542 . 28 1 1 A 56 56 ASN CB C 56 37.070 37.666 -0.596 1 1 543 . 28 1 1 A 56 56 ASN N N 56 114.760 113.533 1.227 1 1 545 . 28 1 1 A 57 57 ALA H H 57 7.283 7.240 0.043 1 1 546 . 28 1 1 A 57 57 ALA HA H 57 3.618 4.099 -0.481 1 1 550 . 28 1 1 A 57 57 ALA C C 57 178.090 178.377 -0.287 1 1 551 . 28 1 1 A 57 57 ALA CA C 57 54.480 53.651 0.829 1 1 552 . 28 1 1 A 57 57 ALA CB C 57 17.760 18.838 -1.078 1 1 553 . 28 1 1 A 57 57 ALA N N 57 120.380 124.082 -3.702 1 1 554 . 28 1 1 A 58 58 GLY H H 58 9.052 9.279 -0.227 1 1 555 . 28 1 1 A 58 58 GLY HA2 H 58 4.449 4.000 0.449 1 1 556 . 28 1 1 A 58 58 GLY HA3 H 58 3.415 4.001 -0.586 1 1 557 . 28 1 1 A 58 58 GLY C C 58 174.610 174.308 0.302 1 1 558 . 28 1 1 A 58 58 GLY CA C 58 44.530 44.983 -0.453 1 1 559 . 28 1 1 A 58 58 GLY N N 58 112.180 110.353 1.827 1 1 560 . 28 1 1 A 59 59 ALA H H 59 8.171 7.447 0.724 1 1 561 . 28 1 1 A 59 59 ALA HA H 59 4.081 4.296 -0.215 1 1 565 . 28 1 1 A 59 59 ALA C C 59 175.220 176.399 -1.179 1 1 566 . 28 1 1 A 59 59 ALA CA C 59 53.170 51.696 1.474 1 1 567 . 28 1 1 A 59 59 ALA CB C 59 19.360 20.014 -0.654 1 1 568 . 28 1 1 A 59 59 ALA N N 59 124.650 123.718 0.932 1 1 569 . 28 1 1 A 60 60 ARG H H 60 7.751 8.736 -0.985 1 1 570 . 28 1 1 A 60 60 ARG HA H 60 5.105 5.266 -0.161 1 1 575 . 28 1 1 A 60 60 ARG C C 60 175.320 174.570 0.750 1 1 576 . 28 1 1 A 60 60 ARG CA C 60 54.150 54.113 0.037 1 1 577 . 28 1 1 A 60 60 ARG CB C 60 34.130 33.496 0.634 1 1 578 . 28 1 1 A 60 60 ARG N N 60 116.920 118.166 -1.246 1 1 579 . 28 1 1 A 61 61 PHE H H 61 9.213 9.041 0.172 1 1 580 . 28 1 1 A 61 61 PHE HA H 61 4.788 5.066 -0.278 1 1 587 . 28 1 1 A 61 61 PHE C C 61 173.930 175.007 -1.077 1 1 588 . 28 1 1 A 61 61 PHE CA C 61 56.500 56.627 -0.127 1 1 589 . 28 1 1 A 61 61 PHE CB C 61 41.860 42.829 -0.969 1 1 590 . 28 1 1 A 61 61 PHE N N 61 121.090 120.153 0.937 1 1 591 . 28 1 1 A 62 62 LEU H H 62 8.638 9.086 -0.448 1 1 592 . 28 1 1 A 62 62 LEU HA H 62 4.566 5.201 -0.635 1 1 602 . 28 1 1 A 62 62 LEU C C 62 176.570 175.598 0.972 1 1 603 . 28 1 1 A 62 62 LEU CA C 62 55.130 53.130 2.000 1 1 604 . 28 1 1 A 62 62 LEU CB C 62 43.620 43.806 -0.186 1 1 605 . 28 1 1 A 62 62 LEU N N 62 125.630 120.260 5.370 1 1 606 . 28 1 1 A 63 63 LEU H H 63 8.929 9.487 -0.558 1 1 607 . 28 1 1 A 63 63 LEU HA H 63 4.852 4.712 0.140 1 1 617 . 28 1 1 A 63 63 LEU C C 63 175.070 176.034 -0.964 1 1 618 . 28 1 1 A 63 63 LEU CA C 63 53.170 54.559 -1.389 1 1 619 . 28 1 1 A 63 63 LEU CB C 63 42.110 41.661 0.449 1 1 620 . 28 1 1 A 63 63 LEU N N 63 125.980 123.869 2.111 1 1 621 . 28 1 1 A 64 64 ASP H H 64 8.601 8.901 -0.300 1 1 622 . 28 1 1 A 64 64 ASP HA H 64 4.736 4.958 -0.222 1 1 625 . 28 1 1 A 64 64 ASP C C 64 175.130 175.424 -0.294 1 1 626 . 28 1 1 A 64 64 ASP CA C 64 53.640 53.178 0.462 1 1 627 . 28 1 1 A 64 64 ASP CB C 64 41.020 42.070 -1.050 1 1 628 . 28 1 1 A 64 64 ASP N N 64 120.910 126.455 -5.545 1 1 629 . 28 1 1 A 65 65 GLN H H 65 7.497 7.518 -0.021 1 1 630 . 28 1 1 A 65 65 GLN HA H 65 4.856 4.779 0.077 1 1 637 . 28 1 1 A 65 65 GLN C C 65 173.550 175.320 -1.770 1 1 638 . 28 1 1 A 65 65 GLN CA C 65 52.780 53.352 -0.572 1 1 639 . 28 1 1 A 65 65 GLN N N 65 117.420 117.305 0.115 1 1 641 . 28 1 1 A 66 66 PRO HA H 66 4.190 4.426 -0.236 1 1 648 . 28 1 1 A 66 66 PRO C C 66 177.400 176.740 0.660 1 1 649 . 28 1 1 A 66 66 PRO CA C 66 66.810 64.957 1.853 1 1 650 . 28 1 1 A 66 66 PRO CB C 66 32.370 32.204 0.166 1 1 651 . 28 1 1 A 67 67 THR H H 67 7.647 7.488 0.159 1 1 652 . 28 1 1 A 67 67 THR HA H 67 4.811 5.514 -0.703 1 1 657 . 28 1 1 A 67 67 THR C C 67 173.280 173.074 0.206 1 1 658 . 28 1 1 A 67 67 THR CA C 67 62.830 61.329 1.501 1 1 659 . 28 1 1 A 67 67 THR CB C 67 71.740 72.113 -0.373 1 1 660 . 28 1 1 A 67 67 THR N N 67 109.270 111.897 -2.627 1 1 661 . 28 1 1 A 68 68 THR H H 68 8.919 9.245 -0.326 1 1 662 . 28 1 1 A 68 68 THR HA H 68 4.968 4.950 0.018 1 1 667 . 28 1 1 A 68 68 THR C C 68 175.090 174.197 0.893 1 1 668 . 28 1 1 A 68 68 THR CA C 68 61.820 62.284 -0.464 1 1 669 . 28 1 1 A 68 68 THR CB C 68 70.730 69.737 0.993 1 1 670 . 28 1 1 A 68 68 THR N N 68 125.610 123.506 2.104 1 1 671 . 28 1 1 A 69 69 THR H H 69 10.398 8.907 1.491 1 1 672 . 28 1 1 A 69 69 THR HA H 69 4.491 4.826 -0.335 1 1 677 . 28 1 1 A 69 69 THR C C 69 173.140 173.980 -0.840 1 1 678 . 28 1 1 A 69 69 THR CA C 69 61.790 62.025 -0.235 1 1 679 . 28 1 1 A 69 69 THR CB C 69 70.820 70.210 0.610 1 1 680 . 28 1 1 A 69 69 THR N N 69 121.520 123.227 -1.707 1 1 681 . 28 1 1 A 70 70 ALA H H 70 8.722 8.959 -0.237 1 1 682 . 28 1 1 A 70 70 ALA HA H 70 5.696 5.491 0.205 1 1 686 . 28 1 1 A 70 70 ALA C C 70 175.840 176.447 -0.607 1 1 687 . 28 1 1 A 70 70 ALA CA C 70 50.030 50.444 -0.414 1 1 688 . 28 1 1 A 70 70 ALA CB C 70 22.300 22.575 -0.275 1 1 689 . 28 1 1 A 70 70 ALA N N 70 122.410 128.837 -6.427 1 1 690 . 28 1 1 A 71 71 GLY H H 71 8.430 7.722 0.708 1 1 691 . 28 1 1 A 71 71 GLY HA2 H 71 4.474 4.226 0.248 1 1 692 . 28 1 1 A 71 71 GLY HA3 H 71 3.903 4.253 -0.350 1 1 693 . 28 1 1 A 71 71 GLY C C 71 170.540 171.700 -1.160 1 1 694 . 28 1 1 A 71 71 GLY CA C 71 46.300 45.816 0.484 1 1 695 . 28 1 1 A 71 71 GLY N N 71 108.960 108.172 0.788 1 1 696 . 28 1 1 A 72 72 ARG H H 72 8.341 8.507 -0.166 1 1 697 . 28 1 1 A 72 72 ARG HA H 72 4.481 4.856 -0.375 1 1 702 . 28 1 1 A 72 72 ARG C C 72 175.720 175.526 0.194 1 1 703 . 28 1 1 A 72 72 ARG CA C 72 54.800 54.460 0.340 1 1 704 . 28 1 1 A 72 72 ARG CB C 72 32.540 33.666 -1.126 1 1 705 . 28 1 1 A 72 72 ARG N N 72 120.930 123.171 -2.241 1 1 706 . 28 1 1 A 73 73 HIS H H 73 9.295 8.887 0.408 1 1 707 . 28 1 1 A 73 73 HIS HA H 73 4.403 4.781 -0.378 1 1 712 . 28 1 1 A 73 73 HIS C C 73 176.860 175.609 1.251 1 1 713 . 28 1 1 A 73 73 HIS CA C 73 57.050 57.034 0.016 1 1 714 . 28 1 1 A 73 73 HIS N N 73 125.290 116.679 8.611 1 1 715 . 28 1 1 A 74 74 PRO HA H 74 4.373 4.311 0.062 1 1 722 . 28 1 1 A 74 74 PRO C C 74 177.590 177.779 -0.189 1 1 723 . 28 1 1 A 74 74 PRO CA C 74 64.930 65.267 -0.337 1 1 724 . 28 1 1 A 74 74 PRO CB C 74 32.030 31.923 0.107 1 1 725 . 28 1 1 A 75 75 GLU H H 75 10.575 8.886 1.689 1 1 726 . 28 1 1 A 75 75 GLU HA H 75 4.352 4.222 0.130 1 1 731 . 28 1 1 A 75 75 GLU C C 75 177.320 176.931 0.389 1 1 732 . 28 1 1 A 75 75 GLU CA C 75 56.070 58.192 -2.122 1 1 733 . 28 1 1 A 75 75 GLU CB C 75 29.010 28.620 0.390 1 1 734 . 28 1 1 A 75 75 GLU N N 75 119.840 116.778 3.062 1 1 735 . 28 1 1 A 76 76 SER H H 76 8.236 7.708 0.528 1 1 736 . 28 1 1 A 76 76 SER HA H 76 4.100 4.436 -0.336 1 1 739 . 28 1 1 A 76 76 SER C C 76 173.120 174.497 -1.377 1 1 740 . 28 1 1 A 76 76 SER CA C 76 60.160 60.470 -0.310 1 1 741 . 28 1 1 A 76 76 SER CB C 76 65.530 63.420 2.110 1 1 742 . 28 1 1 A 76 76 SER N N 76 118.860 116.586 2.274 1 1 743 . 28 1 1 A 77 77 ASP H H 77 8.541 8.803 -0.262 1 1 744 . 28 1 1 A 77 77 ASP HA H 77 4.344 4.379 -0.035 1 1 747 . 28 1 1 A 77 77 ASP C C 77 177.590 176.053 1.537 1 1 748 . 28 1 1 A 77 77 ASP CA C 77 58.380 57.103 1.277 1 1 749 . 28 1 1 A 77 77 ASP CB C 77 42.110 40.760 1.350 1 1 750 . 28 1 1 A 77 77 ASP N N 77 126.720 125.272 1.448 1 1 751 . 28 1 1 A 78 78 ILE H H 78 8.571 7.557 1.014 1 1 752 . 28 1 1 A 78 78 ILE HA H 78 3.563 4.130 -0.567 1 1 762 . 28 1 1 A 78 78 ILE C C 78 172.930 174.431 -1.501 1 1 763 . 28 1 1 A 78 78 ILE CA C 78 60.880 59.698 1.182 1 1 764 . 28 1 1 A 78 78 ILE CB C 78 37.410 39.600 -2.190 1 1 765 . 28 1 1 A 78 78 ILE N N 78 120.210 114.694 5.516 1 1 766 . 28 1 1 A 79 79 PHE H H 79 8.018 8.873 -0.855 1 1 767 . 28 1 1 A 79 79 PHE HA H 79 5.018 4.761 0.257 1 1 775 . 28 1 1 A 79 79 PHE C C 79 174.130 174.000 0.130 1 1 776 . 28 1 1 A 79 79 PHE CA C 79 55.780 56.589 -0.809 1 1 777 . 28 1 1 A 79 79 PHE CB C 79 39.170 40.290 -1.120 1 1 778 . 28 1 1 A 79 79 PHE N N 79 127.300 126.558 0.742 1 1 779 . 28 1 1 A 80 80 LEU H H 80 7.695 8.212 -0.517 1 1 780 . 28 1 1 A 80 80 LEU HA H 80 3.619 5.041 -1.422 1 1 790 . 28 1 1 A 80 80 LEU C C 80 173.720 174.635 -0.915 1 1 791 . 28 1 1 A 80 80 LEU CA C 80 52.340 53.205 -0.865 1 1 792 . 28 1 1 A 80 80 LEU CB C 80 41.770 45.173 -3.403 1 1 793 . 28 1 1 A 80 80 LEU N N 80 131.810 128.011 3.799 1 1 794 . 28 1 1 A 81 81 ASP H H 81 7.974 8.548 -0.574 1 1 795 . 28 1 1 A 81 81 ASP HA H 81 4.141 5.081 -0.940 1 1 798 . 28 1 1 A 81 81 ASP C C 81 175.130 175.355 -0.225 1 1 799 . 28 1 1 A 81 81 ASP CA C 81 53.210 52.349 0.861 1 1 800 . 28 1 1 A 81 81 ASP CB C 81 39.930 42.650 -2.720 1 1 801 . 28 1 1 A 81 81 ASP N N 81 121.130 124.087 -2.957 1 1 802 . 28 1 1 A 82 82 ASP H H 82 7.583 8.670 -1.087 1 1 803 . 28 1 1 A 82 82 ASP HA H 82 4.859 5.213 -0.354 1 1 806 . 28 1 1 A 82 82 ASP C C 82 176.760 177.420 -0.660 1 1 807 . 28 1 1 A 82 82 ASP CA C 82 54.980 53.157 1.823 1 1 808 . 28 1 1 A 82 82 ASP CB C 82 39.170 41.218 -2.048 1 1 809 . 28 1 1 A 82 82 ASP N N 82 121.540 125.925 -4.385 1 1 810 . 28 1 1 A 83 83 VAL H H 83 8.344 8.402 -0.058 1 1 811 . 28 1 1 A 83 83 VAL HA H 83 4.012 4.057 -0.045 1 1 819 . 28 1 1 A 83 83 VAL C C 83 174.860 176.350 -1.490 1 1 820 . 28 1 1 A 83 83 VAL CA C 83 65.330 64.208 1.122 1 1 821 . 28 1 1 A 83 83 VAL CB C 83 31.530 32.434 -0.904 1 1 822 . 28 1 1 A 83 83 VAL N N 83 122.260 119.654 2.606 1 1 823 . 28 1 1 A 84 84 THR H H 84 8.268 7.320 0.948 1 1 824 . 28 1 1 A 84 84 THR HA H 84 4.540 5.088 -0.548 1 1 828 . 28 1 1 A 84 84 THR C C 84 175.360 173.573 1.787 1 1 829 . 28 1 1 A 84 84 THR CA C 84 63.810 61.692 2.118 1 1 830 . 28 1 1 A 84 84 THR CB C 84 70.900 73.490 -2.590 1 1 831 . 28 1 1 A 84 84 THR N N 84 110.620 113.511 -2.891 1 1 832 . 28 1 1 A 85 85 VAL H H 85 8.579 8.709 -0.130 1 1 833 . 28 1 1 A 85 85 VAL HA H 85 4.254 4.122 0.132 1 1 841 . 28 1 1 A 85 85 VAL C C 85 177.070 175.551 1.519 1 1 842 . 28 1 1 A 85 85 VAL CA C 85 61.930 63.660 -1.730 1 1 843 . 28 1 1 A 85 85 VAL CB C 85 32.450 31.047 1.403 1 1 844 . 28 1 1 A 85 85 VAL N N 85 126.860 126.128 0.732 1 1 845 . 28 1 1 A 86 86 SER H H 86 11.668 9.405 2.263 1 1 846 . 28 1 1 A 86 86 SER HA H 86 5.203 5.000 0.203 1 1 849 . 28 1 1 A 86 86 SER C C 86 175.470 175.111 0.359 1 1 850 . 28 1 1 A 86 86 SER CA C 86 61.600 58.150 3.450 1 1 851 . 28 1 1 A 86 86 SER CB C 86 64.270 63.676 0.594 1 1 852 . 28 1 1 A 86 86 SER N N 86 128.670 125.519 3.151 1 1 853 . 28 1 1 A 87 87 ARG H H 87 10.946 8.668 2.278 1 1 854 . 28 1 1 A 87 87 ARG HA H 87 5.179 4.204 0.975 1 1 862 . 28 1 1 A 87 87 ARG C C 87 177.110 175.901 1.209 1 1 863 . 28 1 1 A 87 87 ARG CA C 87 60.810 59.059 1.751 1 1 864 . 28 1 1 A 87 87 ARG CB C 87 29.010 30.008 -0.998 1 1 865 . 28 1 1 A 87 87 ARG N N 87 126.810 125.319 1.491 1 1 867 . 28 1 1 A 88 88 ARG H H 88 7.946 7.965 -0.019 1 1 868 . 28 1 1 A 88 88 ARG HA H 88 4.459 4.833 -0.374 1 1 876 . 28 1 1 A 88 88 ARG C C 88 172.990 175.961 -2.971 1 1 877 . 28 1 1 A 88 88 ARG CA C 88 55.060 55.091 -0.031 1 1 878 . 28 1 1 A 88 88 ARG CB C 88 29.770 33.315 -3.545 1 1 879 . 28 1 1 A 88 88 ARG N N 88 115.670 118.820 -3.150 1 1 881 . 28 1 1 A 89 89 HIS H H 89 7.613 8.973 -1.360 1 1 882 . 28 1 1 A 89 89 HIS HA H 89 4.437 4.444 -0.007 1 1 888 . 28 1 1 A 89 89 HIS C C 89 174.050 175.031 -0.981 1 1 889 . 28 1 1 A 89 89 HIS CA C 89 58.420 58.407 0.013 1 1 890 . 28 1 1 A 89 89 HIS CB C 89 32.620 31.403 1.217 1 1 891 . 28 1 1 A 89 89 HIS N N 89 124.000 125.409 -1.409 1 1 893 . 28 1 1 A 90 90 ALA H H 90 8.454 7.221 1.233 1 1 894 . 28 1 1 A 90 90 ALA HA H 90 5.529 4.483 1.046 1 1 898 . 28 1 1 A 90 90 ALA C C 90 176.260 174.711 1.549 1 1 899 . 28 1 1 A 90 90 ALA CA C 90 50.240 51.331 -1.091 1 1 900 . 28 1 1 A 90 90 ALA CB C 90 23.220 22.418 0.802 1 1 901 . 28 1 1 A 90 90 ALA N N 90 116.480 118.064 -1.584 1 1 902 . 28 1 1 A 91 91 GLU H H 91 9.216 8.850 0.366 1 1 903 . 28 1 1 A 91 91 GLU HA H 91 4.931 5.169 -0.238 1 1 908 . 28 1 1 A 91 91 GLU C C 91 173.910 174.614 -0.704 1 1 909 . 28 1 1 A 91 91 GLU CA C 91 54.690 54.714 -0.024 1 1 910 . 28 1 1 A 91 91 GLU CB C 91 34.720 33.411 1.309 1 1 911 . 28 1 1 A 91 91 GLU N N 91 118.140 117.244 0.896 1 1 912 . 28 1 1 A 92 92 PHE H H 92 9.330 9.607 -0.277 1 1 913 . 28 1 1 A 92 92 PHE HA H 92 5.502 5.411 0.091 1 1 921 . 28 1 1 A 92 92 PHE C C 92 176.650 174.774 1.876 1 1 922 . 28 1 1 A 92 92 PHE CA C 92 56.760 56.708 0.052 1 1 923 . 28 1 1 A 92 92 PHE CB C 92 41.690 40.330 1.360 1 1 924 . 28 1 1 A 92 92 PHE N N 92 119.490 121.224 -1.734 1 1 925 . 28 1 1 A 93 93 ARG H H 93 9.846 9.395 0.451 1 1 926 . 28 1 1 A 93 93 ARG HA H 93 5.610 4.935 0.675 1 1 934 . 28 1 1 A 93 93 ARG C C 93 175.010 175.128 -0.118 1 1 935 . 28 1 1 A 93 93 ARG CA C 93 54.580 55.014 -0.434 1 1 936 . 28 1 1 A 93 93 ARG CB C 93 34.220 31.756 2.464 1 1 937 . 28 1 1 A 93 93 ARG N N 93 127.300 124.060 3.240 1 1 939 . 28 1 1 A 94 94 ILE H H 94 8.521 9.202 -0.681 1 1 940 . 28 1 1 A 94 94 ILE HA H 94 4.410 4.886 -0.476 1 1 950 . 28 1 1 A 94 94 ILE C C 94 176.420 174.618 1.802 1 1 951 . 28 1 1 A 94 94 ILE CA C 94 61.130 59.948 1.182 1 1 952 . 28 1 1 A 94 94 ILE CB C 94 38.830 38.308 0.522 1 1 953 . 28 1 1 A 94 94 ILE N N 94 121.680 125.849 -4.169 1 1 954 . 28 1 1 A 95 95 ASN H H 95 8.847 8.678 0.169 1 1 955 . 28 1 1 A 95 95 ASN HA H 95 4.796 5.325 -0.529 1 1 960 . 28 1 1 A 95 95 ASN C C 95 174.430 174.788 -0.358 1 1 961 . 28 1 1 A 95 95 ASN CA C 95 52.560 51.353 1.207 1 1 962 . 28 1 1 A 95 95 ASN CB C 95 40.510 41.578 -1.068 1 1 963 . 28 1 1 A 95 95 ASN N N 95 127.100 124.680 2.420 1 1 965 . 28 1 1 A 96 96 GLU H H 96 9.303 9.451 -0.148 1 1 966 . 28 1 1 A 96 96 GLU HA H 96 3.768 3.925 -0.157 1 1 971 . 28 1 1 A 96 96 GLU C C 96 176.280 175.629 0.651 1 1 972 . 28 1 1 A 96 96 GLU CA C 96 57.150 57.322 -0.172 1 1 973 . 28 1 1 A 96 96 GLU CB C 96 27.590 28.284 -0.694 1 1 974 . 28 1 1 A 96 96 GLU N N 96 125.150 119.436 5.714 1 1 975 . 28 1 1 A 97 97 GLY H H 97 7.937 8.625 -0.688 1 1 976 . 28 1 1 A 97 97 GLY HA2 H 97 4.042 3.709 0.333 1 1 977 . 28 1 1 A 97 97 GLY HA3 H 97 3.450 3.812 -0.362 1 1 978 . 28 1 1 A 97 97 GLY C C 97 172.990 173.649 -0.659 1 1 979 . 28 1 1 A 97 97 GLY CA C 97 45.390 45.251 0.139 1 1 980 . 28 1 1 A 97 97 GLY N N 97 104.330 104.932 -0.602 1 1 981 . 28 1 1 A 98 98 GLU H H 98 7.557 8.099 -0.542 1 1 982 . 28 1 1 A 98 98 GLU HA H 98 4.591 4.639 -0.048 1 1 987 . 28 1 1 A 98 98 GLU C C 98 174.530 175.751 -1.221 1 1 988 . 28 1 1 A 98 98 GLU CA C 98 54.770 55.525 -0.755 1 1 989 . 28 1 1 A 98 98 GLU CB C 98 32.290 31.179 1.111 1 1 990 . 28 1 1 A 98 98 GLU N N 98 119.350 120.195 -0.845 1 1 991 . 28 1 1 A 99 99 PHE H H 99 9.412 9.208 0.204 1 1 992 . 28 1 1 A 99 99 PHE HA H 99 5.007 5.269 -0.262 1 1 999 . 28 1 1 A 99 99 PHE C C 99 174.050 175.291 -1.241 1 1 1000 . 28 1 1 A 99 99 PHE CA C 99 57.260 56.921 0.339 1 1 1001 . 28 1 1 A 99 99 PHE CB C 99 42.110 40.446 1.664 1 1 1002 . 28 1 1 A 99 99 PHE N N 99 122.550 122.234 0.316 1 1 1003 . 28 1 1 A 100 100 GLU H H 100 9.444 9.321 0.123 1 1 1004 . 28 1 1 A 100 100 GLU HA H 100 5.145 5.298 -0.153 1 1 1009 . 28 1 1 A 100 100 GLU C C 100 175.340 174.494 0.846 1 1 1010 . 28 1 1 A 100 100 GLU CA C 100 54.080 54.629 -0.549 1 1 1011 . 28 1 1 A 100 100 GLU CB C 100 34.720 33.114 1.606 1 1 1012 . 28 1 1 A 100 100 GLU N N 100 124.080 120.674 3.406 1 1 1013 . 28 1 1 A 101 101 VAL H H 101 8.726 9.263 -0.537 1 1 1014 . 28 1 1 A 101 101 VAL HA H 101 4.900 4.500 0.400 1 1 1022 . 28 1 1 A 101 101 VAL C C 101 172.510 175.070 -2.560 1 1 1023 . 28 1 1 A 101 101 VAL CA C 101 58.710 61.412 -2.702 1 1 1024 . 28 1 1 A 101 101 VAL CB C 101 33.550 32.686 0.864 1 1 1025 . 28 1 1 A 101 101 VAL N N 101 124.500 124.392 0.108 1 1 1026 . 28 1 1 A 102 102 VAL H H 102 8.719 9.258 -0.539 1 1 1027 . 28 1 1 A 102 102 VAL HA H 102 4.578 4.806 -0.228 1 1 1035 . 28 1 1 A 102 102 VAL C C 102 175.380 173.544 1.836 1 1 1036 . 28 1 1 A 102 102 VAL CA C 102 60.370 60.123 0.247 1 1 1037 . 28 1 1 A 102 102 VAL CB C 102 36.060 34.155 1.905 1 1 1038 . 28 1 1 A 102 102 VAL N N 102 125.900 122.788 3.112 1 1 1039 . 28 1 1 A 103 103 ASP H H 103 8.626 9.306 -0.680 1 1 1040 . 28 1 1 A 103 103 ASP HA H 103 4.856 4.821 0.035 1 1 1043 . 28 1 1 A 103 103 ASP C C 103 177.300 176.718 0.582 1 1 1044 . 28 1 1 A 103 103 ASP CA C 103 54.580 53.263 1.317 1 1 1045 . 28 1 1 A 103 103 ASP CB C 103 44.210 43.300 0.910 1 1 1046 . 28 1 1 A 103 103 ASP N N 103 127.250 127.219 0.031 1 1 1047 . 28 1 1 A 104 104 VAL H H 104 7.890 8.598 -0.708 1 1 1048 . 28 1 1 A 104 104 VAL HA H 104 4.527 4.466 0.061 1 1 1056 . 28 1 1 A 104 104 VAL C C 104 174.490 176.255 -1.765 1 1 1057 . 28 1 1 A 104 104 VAL CA C 104 60.630 61.199 -0.569 1 1 1058 . 28 1 1 A 104 104 VAL CB C 104 29.350 33.456 -4.106 1 1 1059 . 28 1 1 A 104 104 VAL N N 104 119.270 120.157 -0.887 1 1 1060 . 28 1 1 A 105 105 GLY H H 105 8.690 7.758 0.932 1 1 1061 . 28 1 1 A 105 105 GLY HA2 H 105 4.270 4.097 0.173 1 1 1062 . 28 1 1 A 105 105 GLY HA3 H 105 3.685 4.100 -0.415 1 1 1063 . 28 1 1 A 105 105 GLY C C 105 175.490 175.089 0.401 1 1 1064 . 28 1 1 A 105 105 GLY CA C 105 45.650 45.640 0.010 1 1 1065 . 28 1 1 A 105 105 GLY N N 105 111.790 110.881 0.909 1 1 1066 . 28 1 1 A 106 106 SER H H 106 9.218 7.898 1.320 1 1 1067 . 28 1 1 A 106 106 SER HA H 106 3.894 4.032 -0.138 1 1 1070 . 28 1 1 A 106 106 SER C C 106 174.590 176.173 -1.583 1 1 1071 . 28 1 1 A 106 106 SER CA C 106 58.600 62.422 -3.822 1 1 1072 . 28 1 1 A 106 106 SER CB C 106 61.250 62.870 -1.620 1 1 1073 . 28 1 1 A 106 106 SER N N 106 121.540 115.390 6.150 1 1 1074 . 28 1 1 A 107 107 LEU H H 107 8.018 7.789 0.229 1 1 1075 . 28 1 1 A 107 107 LEU HA H 107 4.240 4.094 0.146 1 1 1085 . 28 1 1 A 107 107 LEU C C 107 179.420 178.161 1.259 1 1 1086 . 28 1 1 A 107 107 LEU CA C 107 57.590 58.081 -0.491 1 1 1087 . 28 1 1 A 107 107 LEU CB C 107 42.360 41.379 0.981 1 1 1088 . 28 1 1 A 107 107 LEU N N 107 121.520 121.371 0.149 1 1 1089 . 28 1 1 A 108 108 ASN H H 108 8.799 7.824 0.975 1 1 1090 . 28 1 1 A 108 108 ASN HA H 108 4.986 5.157 -0.171 1 1 1093 . 28 1 1 A 108 108 ASN C C 108 175.950 175.605 0.345 1 1 1094 . 28 1 1 A 108 108 ASN CA C 108 54.440 53.369 1.071 1 1 1095 . 28 1 1 A 108 108 ASN CB C 108 41.180 39.212 1.968 1 1 1096 . 28 1 1 A 108 108 ASN N N 108 111.800 115.666 -3.866 1 1 1097 . 28 1 1 A 109 109 GLY H H 109 8.025 7.924 0.101 1 1 1098 . 28 1 1 A 109 109 GLY HA2 H 109 4.237 3.770 0.467 1 1 1099 . 28 1 1 A 109 109 GLY HA3 H 109 3.621 3.938 -0.317 1 1 1100 . 28 1 1 A 109 109 GLY C C 109 173.820 174.466 -0.646 1 1 1101 . 28 1 1 A 109 109 GLY CA C 109 44.340 46.241 -1.901 1 1 1102 . 28 1 1 A 109 109 GLY N N 109 110.600 107.383 3.217 1 1 1103 . 28 1 1 A 110 110 THR H H 110 8.770 7.916 0.854 1 1 1104 . 28 1 1 A 110 110 THR HA H 110 4.797 4.207 0.590 1 1 1109 . 28 1 1 A 110 110 THR C C 110 172.570 173.555 -0.985 1 1 1110 . 28 1 1 A 110 110 THR CA C 110 64.540 63.073 1.467 1 1 1111 . 28 1 1 A 110 110 THR CB C 110 70.230 69.076 1.154 1 1 1112 . 28 1 1 A 110 110 THR N N 110 121.240 114.517 6.723 1 1 1113 . 28 1 1 A 111 111 TYR H H 111 8.272 8.984 -0.712 1 1 1114 . 28 1 1 A 111 111 TYR HA H 111 5.155 5.081 0.074 1 1 1121 . 28 1 1 A 111 111 TYR C C 111 175.860 175.046 0.814 1 1 1122 . 28 1 1 A 111 111 TYR CA C 111 55.820 56.436 -0.616 1 1 1123 . 28 1 1 A 111 111 TYR CB C 111 41.100 42.758 -1.658 1 1 1124 . 28 1 1 A 111 111 TYR N N 111 123.680 124.692 -1.012 1 1 1125 . 28 1 1 A 112 112 VAL H H 112 9.017 9.364 -0.347 1 1 1126 . 28 1 1 A 112 112 VAL HA H 112 4.951 4.676 0.275 1 1 1134 . 28 1 1 A 112 112 VAL C C 112 176.780 176.277 0.503 1 1 1135 . 28 1 1 A 112 112 VAL CA C 112 61.130 61.148 -0.018 1 1 1136 . 28 1 1 A 112 112 VAL CB C 112 32.870 33.973 -1.103 1 1 1137 . 28 1 1 A 112 112 VAL N N 112 121.300 122.742 -1.442 1 1 1138 . 28 1 1 A 113 113 ASN H H 113 10.285 9.559 0.726 1 1 1139 . 28 1 1 A 113 113 ASN HA H 113 4.483 4.273 0.210 1 1 1144 . 28 1 1 A 113 113 ASN C C 113 174.590 174.302 0.288 1 1 1145 . 28 1 1 A 113 113 ASN CA C 113 55.160 54.551 0.609 1 1 1146 . 28 1 1 A 113 113 ASN CB C 113 37.240 37.050 0.190 1 1 1147 . 28 1 1 A 113 113 ASN N N 113 129.510 127.058 2.452 1 1 1149 . 28 1 1 A 114 114 ARG H H 114 9.459 8.583 0.876 1 1 1150 . 28 1 1 A 114 114 ARG HA H 114 3.659 3.811 -0.152 1 1 1158 . 28 1 1 A 114 114 ARG C C 114 174.900 174.600 0.300 1 1 1159 . 28 1 1 A 114 114 ARG CA C 114 58.280 57.660 0.620 1 1 1160 . 28 1 1 A 114 114 ARG CB C 114 27.250 27.651 -0.401 1 1 1161 . 28 1 1 A 114 114 ARG N N 114 106.570 110.442 -3.872 1 1 1163 . 28 1 1 A 115 115 GLU H H 115 7.827 7.903 -0.076 1 1 1164 . 28 1 1 A 115 115 GLU HA H 115 5.153 4.836 0.317 1 1 1169 . 28 1 1 A 115 115 GLU C C 115 173.950 174.304 -0.354 1 1 1170 . 28 1 1 A 115 115 GLU CA C 115 52.990 52.901 0.089 1 1 1171 . 28 1 1 A 115 115 GLU N N 115 119.780 118.486 1.294 1 1 1172 . 28 1 1 A 116 116 PRO HA H 116 3.983 4.772 -0.789 1 1 1177 . 28 1 1 A 116 116 PRO C C 116 177.780 176.002 1.778 1 1 1178 . 28 1 1 A 116 116 PRO CA C 116 62.910 63.152 -0.242 1 1 1179 . 28 1 1 A 116 116 PRO CB C 116 31.200 32.267 -1.067 1 1 1180 . 28 1 1 A 117 117 ARG H H 117 8.414 8.072 0.342 1 1 1181 . 28 1 1 A 117 117 ARG HA H 117 4.699 4.748 -0.049 1 1 1189 . 28 1 1 A 117 117 ARG C C 117 175.260 175.395 -0.135 1 1 1190 . 28 1 1 A 117 117 ARG CA C 117 52.990 54.264 -1.274 1 1 1191 . 28 1 1 A 117 117 ARG CB C 117 24.560 34.610 -10.050 1 1 1192 . 28 1 1 A 117 117 ARG N N 117 121.900 122.661 -0.761 1 1 1194 . 28 1 1 A 118 118 ASN H H 118 8.741 8.727 0.014 1 1 1195 . 28 1 1 A 118 118 ASN HA H 118 4.731 4.942 -0.211 1 1 1200 . 28 1 1 A 118 118 ASN C C 118 175.220 175.335 -0.115 1 1 1201 . 28 1 1 A 118 118 ASN CA C 118 55.090 53.864 1.226 1 1 1202 . 28 1 1 A 118 118 ASN CB C 118 38.920 41.349 -2.429 1 1 1203 . 28 1 1 A 118 118 ASN N N 118 120.190 118.713 1.477 1 1 1205 . 28 1 1 A 119 119 ALA H H 119 7.372 7.689 -0.317 1 1 1206 . 28 1 1 A 119 119 ALA HA H 119 5.319 4.970 0.349 1 1 1210 . 28 1 1 A 119 119 ALA C C 119 176.720 175.091 1.629 1 1 1211 . 28 1 1 A 119 119 ALA CA C 119 52.120 51.269 0.851 1 1 1212 . 28 1 1 A 119 119 ALA CB C 119 21.460 22.474 -1.014 1 1 1213 . 28 1 1 A 119 119 ALA N N 119 120.380 118.321 2.059 1 1 1214 . 28 1 1 A 120 120 GLN H H 120 8.787 8.874 -0.087 1 1 1215 . 28 1 1 A 120 120 GLN HA H 120 4.505 4.747 -0.242 1 1 1222 . 28 1 1 A 120 120 GLN C C 120 174.380 173.851 0.529 1 1 1223 . 28 1 1 A 120 120 GLN CA C 120 56.030 54.967 1.063 1 1 1224 . 28 1 1 A 120 120 GLN CB C 120 32.790 32.446 0.344 1 1 1225 . 28 1 1 A 120 120 GLN N N 120 121.180 121.938 -0.758 1 1 1227 . 28 1 1 A 121 121 VAL H H 121 8.692 8.840 -0.148 1 1 1228 . 28 1 1 A 121 121 VAL HA H 121 4.258 4.472 -0.214 1 1 1236 . 28 1 1 A 121 121 VAL C C 121 176.510 175.400 1.110 1 1 1237 . 28 1 1 A 121 121 VAL CA C 121 64.140 62.167 1.973 1 1 1238 . 28 1 1 A 121 121 VAL CB C 121 31.700 32.045 -0.345 1 1 1239 . 28 1 1 A 121 121 VAL N N 121 129.930 127.381 2.549 1 1 1240 . 28 1 1 A 122 122 MET H H 122 8.924 8.690 0.234 1 1 1241 . 28 1 1 A 122 122 MET HA H 122 4.419 5.012 -0.593 1 1 1249 . 28 1 1 A 122 122 MET C C 122 174.380 175.130 -0.750 1 1 1250 . 28 1 1 A 122 122 MET CA C 122 55.740 53.873 1.867 1 1 1251 . 28 1 1 A 122 122 MET CB C 122 35.140 33.404 1.736 1 1 1252 . 28 1 1 A 122 122 MET N N 122 129.560 126.755 2.805 1 1 1253 . 28 1 1 A 123 123 GLN H H 123 9.002 8.737 0.265 1 1 1254 . 28 1 1 A 123 123 GLN HA H 123 4.823 4.872 -0.049 1 1 1261 . 28 1 1 A 123 123 GLN C C 123 175.530 175.414 0.116 1 1 1262 . 28 1 1 A 123 123 GLN CA C 123 53.570 54.484 -0.914 1 1 1263 . 28 1 1 A 123 123 GLN CB C 123 32.290 31.911 0.379 1 1 1264 . 28 1 1 A 123 123 GLN N N 123 119.810 120.949 -1.139 1 1 1266 . 28 1 1 A 124 124 THR H H 124 9.036 8.577 0.459 1 1 1267 . 28 1 1 A 124 124 THR HA H 124 4.208 4.187 0.021 1 1 1272 . 28 1 1 A 124 124 THR C C 124 175.300 175.679 -0.379 1 1 1273 . 28 1 1 A 124 124 THR CA C 124 65.510 63.852 1.658 1 1 1274 . 28 1 1 A 124 124 THR CB C 124 69.560 68.720 0.840 1 1 1275 . 28 1 1 A 124 124 THR N N 124 119.570 117.151 2.419 1 1 1276 . 28 1 1 A 125 125 GLY H H 125 9.921 9.547 0.374 1 1 1277 . 28 1 1 A 125 125 GLY HA2 H 125 4.552 4.024 0.528 1 1 1278 . 28 1 1 A 125 125 GLY HA3 H 125 3.480 4.027 -0.547 1 1 1279 . 28 1 1 A 125 125 GLY C C 125 174.650 173.974 0.676 1 1 1280 . 28 1 1 A 125 125 GLY CA C 125 44.710 45.005 -0.295 1 1 1281 . 28 1 1 A 125 125 GLY N N 125 117.920 117.037 0.883 1 1 1282 . 28 1 1 A 126 126 ASP H H 126 8.638 7.816 0.822 1 1 1283 . 28 1 1 A 126 126 ASP HA H 126 4.876 4.973 -0.097 1 1 1286 . 28 1 1 A 126 126 ASP C C 126 174.650 175.798 -1.148 1 1 1287 . 28 1 1 A 126 126 ASP CA C 126 56.140 53.306 2.834 1 1 1288 . 28 1 1 A 126 126 ASP CB C 126 41.690 42.298 -0.608 1 1 1289 . 28 1 1 A 126 126 ASP N N 126 123.190 122.167 1.023 1 1 1290 . 28 1 1 A 127 127 GLU H H 127 8.316 9.149 -0.833 1 1 1291 . 28 1 1 A 127 127 GLU HA H 127 5.341 5.056 0.285 1 1 1296 . 28 1 1 A 127 127 GLU C C 127 175.990 175.106 0.884 1 1 1297 . 28 1 1 A 127 127 GLU CA C 127 54.440 54.880 -0.440 1 1 1298 . 28 1 1 A 127 127 GLU CB C 127 32.790 32.999 -0.209 1 1 1299 . 28 1 1 A 127 127 GLU N N 127 118.480 122.568 -4.088 1 1 1300 . 28 1 1 A 128 128 ILE H H 128 9.910 9.317 0.593 1 1 1301 . 28 1 1 A 128 128 ILE HA H 128 5.334 5.031 0.303 1 1 1311 . 28 1 1 A 128 128 ILE C C 128 174.700 174.219 0.481 1 1 1312 . 28 1 1 A 128 128 ILE CA C 128 59.470 60.116 -0.646 1 1 1313 . 28 1 1 A 128 128 ILE CB C 128 40.600 40.973 -0.373 1 1 1314 . 28 1 1 A 128 128 ILE N N 128 128.810 123.920 4.890 1 1 1315 . 28 1 1 A 129 129 GLN H H 129 9.502 9.614 -0.112 1 1 1316 . 28 1 1 A 129 129 GLN HA H 129 5.406 5.224 0.182 1 1 1323 . 28 1 1 A 129 129 GLN C C 129 174.950 174.478 0.472 1 1 1324 . 28 1 1 A 129 129 GLN CA C 129 54.800 54.015 0.785 1 1 1325 . 28 1 1 A 129 129 GLN CB C 129 30.690 32.099 -1.409 1 1 1326 . 28 1 1 A 129 129 GLN N N 129 129.270 127.946 1.324 1 1 1328 . 28 1 1 A 130 130 ILE H H 130 8.498 8.506 -0.008 1 1 1329 . 28 1 1 A 130 130 ILE HA H 130 4.116 4.345 -0.229 1 1 1339 . 28 1 1 A 130 130 ILE C C 130 174.860 175.880 -1.020 1 1 1340 . 28 1 1 A 130 130 ILE CA C 130 60.740 59.769 0.971 1 1 1341 . 28 1 1 A 130 130 ILE CB C 130 41.440 37.917 3.523 1 1 1342 . 28 1 1 A 130 130 ILE N N 130 129.070 127.878 1.192 1 1 1343 . 28 1 1 A 131 131 GLY H H 131 9.924 9.305 0.619 1 1 1344 . 28 1 1 A 131 131 GLY HA2 H 131 3.768 3.674 0.094 1 1 1345 . 28 1 1 A 131 131 GLY HA3 H 131 3.337 3.735 -0.398 1 1 1346 . 28 1 1 A 131 131 GLY C C 131 174.590 174.494 0.096 1 1 1347 . 28 1 1 A 131 131 GLY CA C 131 46.700 47.225 -0.525 1 1 1348 . 28 1 1 A 131 131 GLY N N 131 116.470 117.932 -1.462 1 1 1349 . 28 1 1 A 132 132 LYS H H 132 7.141 8.190 -1.049 1 1 1350 . 28 1 1 A 132 132 LYS HA H 132 3.750 4.483 -0.733 1 1 1357 . 28 1 1 A 132 132 LYS C C 132 175.820 176.308 -0.488 1 1 1358 . 28 1 1 A 132 132 LYS CA C 132 57.550 56.174 1.376 1 1 1359 . 28 1 1 A 132 132 LYS CB C 132 33.300 34.163 -0.863 1 1 1360 . 28 1 1 A 132 132 LYS N N 132 122.960 122.706 0.254 1 1 1361 . 28 1 1 A 133 133 PHE H H 133 8.360 7.332 1.028 1 1 1362 . 28 1 1 A 133 133 PHE HA H 133 4.601 4.860 -0.259 1 1 1370 . 28 1 1 A 133 133 PHE C C 133 174.910 174.329 0.581 1 1 1371 . 28 1 1 A 133 133 PHE CA C 133 58.600 55.197 3.403 1 1 1372 . 28 1 1 A 133 133 PHE CB C 133 40.510 41.776 -1.266 1 1 1373 . 28 1 1 A 133 133 PHE N N 133 118.170 116.386 1.784 1 1 1374 . 28 1 1 A 134 134 ARG H H 134 8.698 8.516 0.182 1 1 1375 . 28 1 1 A 134 134 ARG HA H 134 5.212 5.028 0.184 1 1 1383 . 28 1 1 A 134 134 ARG C C 134 175.150 175.022 0.128 1 1 1384 . 28 1 1 A 134 134 ARG CA C 134 55.060 54.961 0.099 1 1 1385 . 28 1 1 A 134 134 ARG CB C 134 33.550 32.701 0.849 1 1 1386 . 28 1 1 A 134 134 ARG N N 134 120.770 119.121 1.649 1 1 1388 . 28 1 1 A 135 135 LEU H H 135 9.904 9.569 0.335 1 1 1389 . 28 1 1 A 135 135 LEU HA H 135 5.544 5.504 0.040 1 1 1399 . 28 1 1 A 135 135 LEU C C 135 175.260 175.842 -0.582 1 1 1400 . 28 1 1 A 135 135 LEU CA C 135 53.930 53.582 0.348 1 1 1401 . 28 1 1 A 135 135 LEU CB C 135 45.550 45.242 0.308 1 1 1402 . 28 1 1 A 135 135 LEU N N 135 127.130 125.209 1.921 1 1 1403 . 28 1 1 A 136 136 VAL H H 136 9.350 9.257 0.093 1 1 1404 . 28 1 1 A 136 136 VAL HA H 136 5.226 4.976 0.250 1 1 1412 . 28 1 1 A 136 136 VAL C C 136 174.050 173.953 0.097 1 1 1413 . 28 1 1 A 136 136 VAL CA C 136 60.520 60.995 -0.475 1 1 1414 . 28 1 1 A 136 136 VAL CB C 136 34.890 35.052 -0.162 1 1 1415 . 28 1 1 A 136 136 VAL N N 136 121.300 122.695 -1.395 1 1 1416 . 28 1 1 A 137 137 PHE H H 137 8.492 9.162 -0.670 1 1 1417 . 28 1 1 A 137 137 PHE HA H 137 5.007 5.350 -0.343 1 1 1424 . 28 1 1 A 137 137 PHE C C 137 173.340 173.967 -0.627 1 1 1425 . 28 1 1 A 137 137 PHE CA C 137 57.010 55.977 1.033 1 1 1426 . 28 1 1 A 137 137 PHE CB C 137 41.770 41.425 0.345 1 1 1427 . 28 1 1 A 137 137 PHE N N 137 127.550 128.323 -0.773 1 1 1428 . 28 1 1 A 138 138 LEU H H 138 8.535 8.859 -0.324 1 1 1429 . 28 1 1 A 138 138 LEU HA H 138 4.345 5.013 -0.668 1 1 1439 . 28 1 1 A 138 138 LEU C C 138 173.390 175.094 -1.704 1 1 1440 . 28 1 1 A 138 138 LEU CA C 138 53.680 53.363 0.317 1 1 1441 . 28 1 1 A 138 138 LEU CB C 138 45.210 45.455 -0.245 1 1 1442 . 28 1 1 A 138 138 LEU N N 138 128.590 128.061 0.529 1 1 1443 . 28 1 1 A 139 139 ALA H H 139 7.502 8.663 -1.161 1 1 1444 . 28 1 1 A 139 139 ALA HA H 139 3.952 4.103 -0.151 1 1 1448 . 28 1 1 A 139 139 ALA C C 139 178.010 177.388 0.622 1 1 1449 . 28 1 1 A 139 139 ALA CA C 139 51.650 52.007 -0.357 1 1 1450 . 28 1 1 A 139 139 ALA CB C 139 20.700 18.830 1.870 1 1 1451 . 28 1 1 A 139 139 ALA N N 139 123.250 124.244 -0.994 1 1 1452 . 28 1 1 A 140 140 GLY H H 140 7.968 8.281 -0.313 1 1 1453 . 28 1 1 A 140 140 GLY HA2 H 140 4.202 3.912 0.290 1 1 1454 . 28 1 1 A 140 140 GLY HA3 H 140 3.595 3.913 -0.318 1 1 1455 . 28 1 1 A 140 140 GLY C C 140 171.240 174.527 -3.287 1 1 1456 . 28 1 1 A 140 140 GLY CA C 140 44.710 46.749 -2.039 1 1 1457 . 28 1 1 A 140 140 GLY N N 140 108.040 111.058 -3.018 1 1 1458 . 28 1 1 A 141 141 PRO HA H 141 4.460 4.643 -0.183 1 1 1463 . 28 1 1 A 141 141 PRO C C 141 176.150 176.662 -0.512 1 1 1464 . 28 1 1 A 141 141 PRO CA C 141 63.230 62.889 0.341 1 1 1465 . 28 1 1 A 141 141 PRO CB C 141 32.370 32.750 -0.380 1 1 1466 . 28 1 1 A 142 142 ALA H H 142 8.496 8.423 0.073 1 1 1467 . 28 1 1 A 142 142 ALA HA H 142 4.363 4.549 -0.186 1 1 1471 . 28 1 1 A 142 142 ALA C C 142 177.320 176.930 0.390 1 1 1472 . 28 1 1 A 142 142 ALA CA C 142 52.740 51.464 1.276 1 1 1473 . 28 1 1 A 142 142 ALA CB C 142 19.780 19.578 0.202 1 1 1474 . 28 1 1 A 142 142 ALA N N 142 124.080 122.761 1.319 1 1 4 . 29 1 1 A 2 2 SER H H 2 8.404 9.108 -0.704 1 1 5 . 29 1 1 A 2 2 SER HA H 2 4.430 5.037 -0.607 1 1 8 . 29 1 1 A 2 2 SER C C 2 174.220 172.532 1.688 1 1 9 . 29 1 1 A 2 2 SER CA C 2 58.650 57.568 1.082 1 1 10 . 29 1 1 A 2 2 SER CB C 2 64.280 65.027 -0.747 1 1 11 . 29 1 1 A 2 2 SER N N 2 116.880 121.372 -4.492 1 1 12 . 29 1 1 A 3 3 ASP H H 3 8.314 8.718 -0.404 1 1 13 . 29 1 1 A 3 3 ASP HA H 3 4.594 4.579 0.015 1 1 16 . 29 1 1 A 3 3 ASP C C 3 176.070 174.908 1.162 1 1 17 . 29 1 1 A 3 3 ASP CA C 3 54.580 53.509 1.071 1 1 18 . 29 1 1 A 3 3 ASP CB C 3 41.530 40.317 1.213 1 1 19 . 29 1 1 A 3 3 ASP N N 3 122.210 126.055 -3.845 1 1 20 . 29 1 1 A 4 4 ASN H H 4 8.326 8.723 -0.397 1 1 21 . 29 1 1 A 4 4 ASN HA H 4 4.748 4.893 -0.145 1 1 24 . 29 1 1 A 4 4 ASN C C 4 175.130 174.210 0.920 1 1 25 . 29 1 1 A 4 4 ASN CA C 4 53.430 52.381 1.049 1 1 26 . 29 1 1 A 4 4 ASN CB C 4 38.920 37.772 1.148 1 1 27 . 29 1 1 A 4 4 ASN N N 4 118.670 126.536 -7.866 1 1 28 . 29 1 1 A 5 5 ASN H H 5 8.467 8.571 -0.104 1 1 29 . 29 1 1 A 5 5 ASN HA H 5 4.702 4.777 -0.075 1 1 32 . 29 1 1 A 5 5 ASN C C 5 175.700 175.677 0.023 1 1 33 . 29 1 1 A 5 5 ASN CA C 5 53.610 53.447 0.163 1 1 34 . 29 1 1 A 5 5 ASN CB C 5 39.090 39.455 -0.365 1 1 35 . 29 1 1 A 5 5 ASN N N 5 119.070 125.647 -6.577 1 1 36 . 29 1 1 A 6 6 GLY H H 6 8.333 8.664 -0.331 1 1 37 . 29 1 1 A 6 6 GLY HA2 H 6 3.960 3.996 -0.036 1 1 38 . 29 1 1 A 6 6 GLY HA3 H 6 3.960 3.997 -0.037 1 1 39 . 29 1 1 A 6 6 GLY C C 6 174.050 172.336 1.714 1 1 40 . 29 1 1 A 6 6 GLY CA C 6 45.390 45.659 -0.269 1 1 41 . 29 1 1 A 6 6 GLY N N 6 109.000 112.653 -3.653 1 1 42 . 29 1 1 A 7 7 THR H H 7 8.076 8.581 -0.505 1 1 43 . 29 1 1 A 7 7 THR HA H 7 4.591 4.626 -0.035 1 1 48 . 29 1 1 A 7 7 THR C C 7 172.840 173.023 -0.183 1 1 49 . 29 1 1 A 7 7 THR CA C 7 60.050 59.436 0.614 1 1 50 . 29 1 1 A 7 7 THR N N 7 116.910 119.088 -2.178 1 1 51 . 29 1 1 A 8 8 PRO HA H 8 4.414 4.641 -0.227 1 1 54 . 29 1 1 A 8 8 PRO C C 8 176.690 175.355 1.335 1 1 55 . 29 1 1 A 8 8 PRO CA C 8 63.090 62.275 0.815 1 1 56 . 29 1 1 A 8 8 PRO CB C 8 32.290 32.608 -0.318 1 1 57 . 29 1 1 A 9 9 GLU H H 9 8.467 8.430 0.037 1 1 58 . 29 1 1 A 9 9 GLU HA H 9 4.527 4.862 -0.335 1 1 63 . 29 1 1 A 9 9 GLU C C 9 174.680 174.296 0.384 1 1 64 . 29 1 1 A 9 9 GLU CA C 9 54.550 52.533 2.017 1 1 65 . 29 1 1 A 9 9 GLU N N 9 122.910 120.910 2.000 1 1 66 . 29 1 1 A 10 10 PRO HA H 10 4.371 4.669 -0.298 1 1 71 . 29 1 1 A 10 10 PRO C C 10 176.820 175.707 1.113 1 1 72 . 29 1 1 A 10 10 PRO CA C 10 63.300 62.888 0.412 1 1 73 . 29 1 1 A 10 10 PRO CB C 10 32.290 32.412 -0.122 1 1 74 . 29 1 1 A 11 11 GLN H H 11 8.543 8.269 0.274 1 1 75 . 29 1 1 A 11 11 GLN HA H 11 4.334 4.910 -0.576 1 1 82 . 29 1 1 A 11 11 GLN C C 11 176.010 174.983 1.027 1 1 83 . 29 1 1 A 11 11 GLN CA C 11 55.710 54.393 1.317 1 1 84 . 29 1 1 A 11 11 GLN CB C 11 29.520 32.243 -2.723 1 1 85 . 29 1 1 A 11 11 GLN N N 11 121.100 119.825 1.275 1 1 87 . 29 1 1 A 12 12 VAL H H 12 8.201 8.528 -0.327 1 1 88 . 29 1 1 A 12 12 VAL HA H 12 4.144 4.924 -0.780 1 1 96 . 29 1 1 A 12 12 VAL C C 12 175.940 174.776 1.164 1 1 97 . 29 1 1 A 12 12 VAL CA C 12 62.110 60.605 1.505 1 1 98 . 29 1 1 A 12 12 VAL CB C 12 32.800 34.980 -2.180 1 1 99 . 29 1 1 A 12 12 VAL N N 12 122.070 120.922 1.148 1 1 100 . 29 1 1 A 13 13 GLU H H 13 8.593 8.879 -0.286 1 1 101 . 29 1 1 A 13 13 GLU HA H 13 4.329 4.848 -0.519 1 1 106 . 29 1 1 A 13 13 GLU C C 13 176.720 176.267 0.453 1 1 107 . 29 1 1 A 13 13 GLU CA C 13 56.830 54.592 2.238 1 1 108 . 29 1 1 A 13 13 GLU CB C 13 30.860 33.215 -2.355 1 1 109 . 29 1 1 A 13 13 GLU N N 13 124.660 126.068 -1.408 1 1 138 . 29 1 1 A 17 17 VAL H H 17 8.458 8.658 -0.200 1 1 139 . 29 1 1 A 17 17 VAL HA H 17 4.183 4.424 -0.241 1 1 147 . 29 1 1 A 17 17 VAL C C 17 175.950 175.239 0.711 1 1 148 . 29 1 1 A 17 17 VAL CA C 17 63.780 62.522 1.258 1 1 149 . 29 1 1 A 17 17 VAL CB C 17 32.460 32.099 0.361 1 1 150 . 29 1 1 A 17 17 VAL N N 17 124.860 124.387 0.473 1 1 151 . 29 1 1 A 18 18 PHE H H 18 8.579 9.023 -0.444 1 1 152 . 29 1 1 A 18 18 PHE HA H 18 4.650 4.886 -0.236 1 1 160 . 29 1 1 A 18 18 PHE C C 18 173.450 174.874 -1.424 1 1 161 . 29 1 1 A 18 18 PHE CA C 18 57.480 57.476 0.004 1 1 162 . 29 1 1 A 18 18 PHE CB C 18 41.950 40.779 1.171 1 1 163 . 29 1 1 A 18 18 PHE N N 18 127.160 128.625 -1.465 1 1 164 . 29 1 1 A 19 19 ARG H H 19 7.920 8.203 -0.283 1 1 165 . 29 1 1 A 19 19 ARG HA H 19 4.196 4.468 -0.272 1 1 170 . 29 1 1 A 19 19 ARG C C 19 174.930 175.671 -0.741 1 1 171 . 29 1 1 A 19 19 ARG CA C 19 54.800 55.817 -1.017 1 1 172 . 29 1 1 A 19 19 ARG CB C 19 30.610 30.508 0.102 1 1 173 . 29 1 1 A 19 19 ARG N N 19 127.500 124.911 2.589 1 1 174 . 29 1 1 A 20 20 ALA H H 20 8.067 8.691 -0.624 1 1 175 . 29 1 1 A 20 20 ALA HA H 20 3.729 4.395 -0.666 1 1 179 . 29 1 1 A 20 20 ALA C C 20 177.630 177.034 0.596 1 1 180 . 29 1 1 A 20 20 ALA CA C 20 53.280 51.501 1.779 1 1 181 . 29 1 1 A 20 20 ALA CB C 20 18.860 17.227 1.633 1 1 182 . 29 1 1 A 20 20 ALA N N 20 126.460 128.425 -1.965 1 1 183 . 29 1 1 A 21 21 ASP H H 21 8.355 8.222 0.133 1 1 184 . 29 1 1 A 21 21 ASP HA H 21 4.350 4.479 -0.129 1 1 187 . 29 1 1 A 21 21 ASP C C 21 176.720 177.895 -1.175 1 1 188 . 29 1 1 A 21 21 ASP CA C 21 54.480 55.831 -1.351 1 1 189 . 29 1 1 A 21 21 ASP CB C 21 40.350 40.800 -0.450 1 1 190 . 29 1 1 A 21 21 ASP N N 21 117.850 122.976 -5.126 1 1 191 . 29 1 1 A 22 22 LEU H H 22 7.705 7.856 -0.151 1 1 192 . 29 1 1 A 22 22 LEU HA H 22 4.088 4.071 0.017 1 1 202 . 29 1 1 A 22 22 LEU C C 22 177.760 178.409 -0.649 1 1 203 . 29 1 1 A 22 22 LEU CA C 22 55.780 57.268 -1.488 1 1 204 . 29 1 1 A 22 22 LEU CB C 22 41.860 41.585 0.275 1 1 205 . 29 1 1 A 22 22 LEU N N 22 121.600 118.471 3.129 1 1 206 . 29 1 1 A 23 23 LEU H H 23 7.717 7.871 -0.154 1 1 207 . 29 1 1 A 23 23 LEU HA H 23 4.166 3.907 0.259 1 1 217 . 29 1 1 A 23 23 LEU C C 23 177.840 179.122 -1.282 1 1 218 . 29 1 1 A 23 23 LEU CA C 23 55.960 57.417 -1.457 1 1 219 . 29 1 1 A 23 23 LEU CB C 23 41.950 40.959 0.991 1 1 220 . 29 1 1 A 23 23 LEU N N 23 120.360 119.154 1.206 1 1 221 . 29 1 1 A 24 24 LYS H H 24 7.933 8.061 -0.128 1 1 222 . 29 1 1 A 24 24 LYS HA H 24 4.174 3.905 0.269 1 1 229 . 29 1 1 A 24 24 LYS C C 24 177.190 178.170 -0.980 1 1 230 . 29 1 1 A 24 24 LYS CA C 24 57.050 59.204 -2.154 1 1 231 . 29 1 1 A 24 24 LYS CB C 24 32.880 32.000 0.880 1 1 232 . 29 1 1 A 24 24 LYS N N 24 121.120 121.577 -0.457 1 1 233 . 29 1 1 A 25 25 GLU H H 25 8.160 7.925 0.235 1 1 234 . 29 1 1 A 25 25 GLU HA H 25 4.199 4.082 0.117 1 1 239 . 29 1 1 A 25 25 GLU C C 25 176.900 178.364 -1.464 1 1 240 . 29 1 1 A 25 25 GLU CA C 25 57.010 58.804 -1.794 1 1 241 . 29 1 1 A 25 25 GLU CB C 25 30.280 29.656 0.624 1 1 242 . 29 1 1 A 25 25 GLU N N 25 121.550 118.767 2.783 1 1 243 . 29 1 1 A 26 26 MET H H 26 8.270 8.587 -0.317 1 1 244 . 29 1 1 A 26 26 MET HA H 26 4.360 4.065 0.295 1 1 252 . 29 1 1 A 26 26 MET C C 26 176.440 178.110 -1.670 1 1 253 . 29 1 1 A 26 26 MET CA C 26 56.180 58.278 -2.098 1 1 254 . 29 1 1 A 26 26 MET CB C 26 33.050 31.920 1.130 1 1 255 . 29 1 1 A 26 26 MET N N 26 120.730 119.171 1.559 1 1 256 . 29 1 1 A 27 27 GLU H H 27 8.297 8.455 -0.158 1 1 257 . 29 1 1 A 27 27 GLU HA H 27 4.264 4.465 -0.201 1 1 262 . 29 1 1 A 27 27 GLU C C 27 176.650 178.581 -1.931 1 1 263 . 29 1 1 A 27 27 GLU CA C 27 56.830 59.416 -2.586 1 1 264 . 29 1 1 A 27 27 GLU CB C 27 30.530 29.225 1.305 1 1 265 . 29 1 1 A 27 27 GLU N N 27 121.650 119.864 1.786 1 1 266 . 29 1 1 A 28 28 SER H H 28 8.279 7.816 0.463 1 1 267 . 29 1 1 A 28 28 SER HA H 28 4.473 4.147 0.326 1 1 270 . 29 1 1 A 28 28 SER C C 28 174.760 176.474 -1.714 1 1 271 . 29 1 1 A 28 28 SER CA C 28 58.460 61.198 -2.738 1 1 272 . 29 1 1 A 28 28 SER CB C 28 64.190 63.079 1.111 1 1 273 . 29 1 1 A 28 28 SER N N 28 116.610 114.631 1.979 1 1 274 . 29 1 1 A 29 29 SER H H 29 8.443 7.623 0.820 1 1 275 . 29 1 1 A 29 29 SER HA H 29 4.541 4.476 0.065 1 1 278 . 29 1 1 A 29 29 SER C C 29 174.950 175.029 -0.079 1 1 279 . 29 1 1 A 29 29 SER CA C 29 58.530 59.523 -0.993 1 1 280 . 29 1 1 A 29 29 SER CB C 29 64.190 63.926 0.264 1 1 281 . 29 1 1 A 29 29 SER N N 29 118.290 113.967 4.323 1 1 282 . 29 1 1 A 30 30 THR H H 30 8.220 7.292 0.928 1 1 283 . 29 1 1 A 30 30 THR HA H 30 4.372 4.050 0.322 1 1 288 . 29 1 1 A 30 30 THR C C 30 175.280 174.898 0.382 1 1 289 . 29 1 1 A 30 30 THR CA C 30 62.260 64.771 -2.511 1 1 290 . 29 1 1 A 30 30 THR CB C 30 69.900 68.565 1.335 1 1 291 . 29 1 1 A 30 30 THR N N 30 115.600 116.335 -0.735 1 1 292 . 29 1 1 A 31 31 GLY H H 31 8.401 8.320 0.081 1 1 293 . 29 1 1 A 31 31 GLY HA2 H 31 4.005 4.238 -0.233 1 1 294 . 29 1 1 A 31 31 GLY HA3 H 31 4.005 4.239 -0.234 1 1 295 . 29 1 1 A 31 31 GLY C C 31 174.160 171.988 2.172 1 1 296 . 29 1 1 A 31 31 GLY CA C 31 45.470 46.123 -0.653 1 1 297 . 29 1 1 A 31 31 GLY N N 31 111.270 112.493 -1.223 1 1 298 . 29 1 1 A 32 32 THR H H 32 8.034 8.620 -0.586 1 1 299 . 29 1 1 A 32 32 THR HA H 32 4.319 5.287 -0.968 1 1 304 . 29 1 1 A 32 32 THR C C 32 174.130 173.708 0.422 1 1 305 . 29 1 1 A 32 32 THR CA C 32 61.710 59.636 2.074 1 1 306 . 29 1 1 A 32 32 THR CB C 32 70.150 71.401 -1.251 1 1 307 . 29 1 1 A 32 32 THR N N 32 113.770 114.630 -0.860 1 1 308 . 29 1 1 A 33 33 ALA H H 33 8.410 8.788 -0.378 1 1 309 . 29 1 1 A 33 33 ALA HA H 33 4.581 4.812 -0.231 1 1 313 . 29 1 1 A 33 33 ALA C C 33 175.490 174.972 0.518 1 1 314 . 29 1 1 A 33 33 ALA CA C 33 50.680 48.785 1.895 1 1 315 . 29 1 1 A 33 33 ALA N N 33 128.320 124.969 3.351 1 1 316 . 29 1 1 A 34 34 PRO HA H 34 4.389 4.652 -0.263 1 1 321 . 29 1 1 A 34 34 PRO C C 34 176.650 175.961 0.689 1 1 322 . 29 1 1 A 34 34 PRO CA C 34 63.090 62.613 0.477 1 1 323 . 29 1 1 A 34 34 PRO CB C 34 32.210 32.834 -0.624 1 1 324 . 29 1 1 A 35 35 ALA H H 35 8.433 8.350 0.083 1 1 325 . 29 1 1 A 35 35 ALA HA H 35 4.275 5.046 -0.771 1 1 329 . 29 1 1 A 35 35 ALA C C 35 177.730 176.087 1.643 1 1 330 . 29 1 1 A 35 35 ALA CA C 35 52.590 50.503 2.087 1 1 331 . 29 1 1 A 35 35 ALA CB C 35 19.450 23.348 -3.898 1 1 332 . 29 1 1 A 35 35 ALA N N 35 124.330 121.834 2.496 1 1 333 . 29 1 1 A 36 36 SER H H 36 8.259 8.553 -0.294 1 1 334 . 29 1 1 A 36 36 SER HA H 36 4.474 4.544 -0.070 1 1 337 . 29 1 1 A 36 36 SER C C 36 174.860 173.812 1.048 1 1 338 . 29 1 1 A 36 36 SER CA C 36 58.130 58.625 -0.495 1 1 339 . 29 1 1 A 36 36 SER CB C 36 64.190 63.196 0.994 1 1 340 . 29 1 1 A 36 36 SER N N 36 114.560 116.696 -2.136 1 1 341 . 29 1 1 A 37 37 THR H H 37 8.325 8.900 -0.575 1 1 342 . 29 1 1 A 37 37 THR HA H 37 4.281 4.490 -0.209 1 1 346 . 29 1 1 A 37 37 THR C C 37 175.110 175.350 -0.240 1 1 347 . 29 1 1 A 37 37 THR CA C 37 62.260 62.417 -0.157 1 1 348 . 29 1 1 A 37 37 THR CB C 37 70.150 66.963 3.187 1 1 349 . 29 1 1 A 37 37 THR N N 37 115.300 123.820 -8.520 1 1 350 . 29 1 1 A 38 38 GLY H H 38 8.511 8.315 0.196 1 1 351 . 29 1 1 A 38 38 GLY HA2 H 38 3.975 4.168 -0.193 1 1 352 . 29 1 1 A 38 38 GLY HA3 H 38 3.809 4.174 -0.365 1 1 353 . 29 1 1 A 38 38 GLY C C 38 174.470 175.146 -0.676 1 1 354 . 29 1 1 A 38 38 GLY CA C 38 45.470 45.686 -0.216 1 1 355 . 29 1 1 A 38 38 GLY N N 38 110.440 113.984 -3.544 1 1 356 . 29 1 1 A 39 39 ALA H H 39 8.245 8.039 0.206 1 1 357 . 29 1 1 A 39 39 ALA HA H 39 4.164 4.098 0.066 1 1 361 . 29 1 1 A 39 39 ALA C C 39 177.590 178.818 -1.228 1 1 362 . 29 1 1 A 39 39 ALA CA C 39 52.560 54.765 -2.205 1 1 363 . 29 1 1 A 39 39 ALA CB C 39 19.360 18.405 0.955 1 1 364 . 29 1 1 A 39 39 ALA N N 39 124.080 122.518 1.562 1 1 365 . 29 1 1 A 40 40 GLU H H 40 8.721 8.264 0.457 1 1 366 . 29 1 1 A 40 40 GLU HA H 40 4.083 4.224 -0.141 1 1 371 . 29 1 1 A 40 40 GLU C C 40 176.320 178.259 -1.939 1 1 372 . 29 1 1 A 40 40 GLU CA C 40 57.910 56.823 1.087 1 1 373 . 29 1 1 A 40 40 GLU CB C 40 29.520 29.744 -0.224 1 1 374 . 29 1 1 A 40 40 GLU N N 40 118.270 115.489 2.781 1 1 375 . 29 1 1 A 41 41 ASN H H 41 8.226 7.858 0.368 1 1 376 . 29 1 1 A 41 41 ASN HA H 41 4.716 4.636 0.080 1 1 381 . 29 1 1 A 41 41 ASN C C 41 174.800 175.044 -0.244 1 1 382 . 29 1 1 A 41 41 ASN CA C 41 52.880 55.686 -2.806 1 1 383 . 29 1 1 A 41 41 ASN CB C 41 38.840 38.884 -0.044 1 1 384 . 29 1 1 A 41 41 ASN N N 41 117.620 119.338 -1.718 1 1 386 . 29 1 1 A 42 42 LEU H H 42 7.629 7.493 0.136 1 1 387 . 29 1 1 A 42 42 LEU HA H 42 4.418 3.975 0.443 1 1 397 . 29 1 1 A 42 42 LEU C C 42 174.610 176.836 -2.226 1 1 398 . 29 1 1 A 42 42 LEU CA C 42 53.170 55.678 -2.508 1 1 399 . 29 1 1 A 42 42 LEU N N 42 123.010 118.704 4.306 1 1 400 . 29 1 1 A 43 43 PRO HA H 43 4.366 4.281 0.085 1 1 407 . 29 1 1 A 43 43 PRO C C 43 177.050 178.983 -1.933 1 1 408 . 29 1 1 A 43 43 PRO CA C 43 62.260 66.423 -4.163 1 1 409 . 29 1 1 A 43 43 PRO CB C 43 32.380 31.198 1.182 1 1 410 . 29 1 1 A 44 44 ALA H H 44 8.552 7.676 0.876 1 1 411 . 29 1 1 A 44 44 ALA HA H 44 4.223 4.249 -0.026 1 1 415 . 29 1 1 A 44 44 ALA C C 44 179.500 178.102 1.398 1 1 416 . 29 1 1 A 44 44 ALA CA C 44 53.250 52.316 0.934 1 1 417 . 29 1 1 A 44 44 ALA CB C 44 18.190 19.380 -1.190 1 1 418 . 29 1 1 A 44 44 ALA N N 44 125.070 118.851 6.219 1 1 419 . 29 1 1 A 45 45 GLY H H 45 8.897 9.516 -0.619 1 1 420 . 29 1 1 A 45 45 GLY HA2 H 45 4.214 3.884 0.330 1 1 421 . 29 1 1 A 45 45 GLY HA3 H 45 3.833 3.899 -0.066 1 1 422 . 29 1 1 A 45 45 GLY C C 45 173.720 173.489 0.231 1 1 423 . 29 1 1 A 45 45 GLY CA C 45 45.790 45.547 0.243 1 1 424 . 29 1 1 A 45 45 GLY N N 45 110.600 108.660 1.940 1 1 425 . 29 1 1 A 46 46 SER H H 46 7.690 7.926 -0.236 1 1 426 . 29 1 1 A 46 46 SER HA H 46 5.338 5.360 -0.022 1 1 429 . 29 1 1 A 46 46 SER C C 46 172.990 172.315 0.675 1 1 430 . 29 1 1 A 46 46 SER CA C 46 57.810 57.898 -0.088 1 1 431 . 29 1 1 A 46 46 SER CB C 46 66.960 67.468 -0.508 1 1 432 . 29 1 1 A 46 46 SER N N 46 114.180 115.374 -1.194 1 1 433 . 29 1 1 A 47 47 ALA H H 47 8.435 8.918 -0.483 1 1 434 . 29 1 1 A 47 47 ALA HA H 47 4.338 5.054 -0.716 1 1 438 . 29 1 1 A 47 47 ALA C C 47 173.840 175.974 -2.134 1 1 439 . 29 1 1 A 47 47 ALA CA C 47 51.690 50.892 0.798 1 1 440 . 29 1 1 A 47 47 ALA CB C 47 24.570 22.974 1.596 1 1 441 . 29 1 1 A 47 47 ALA N N 47 120.900 123.720 -2.820 1 1 442 . 29 1 1 A 48 48 LEU H H 48 8.673 8.325 0.348 1 1 443 . 29 1 1 A 48 48 LEU HA H 48 5.021 5.268 -0.247 1 1 453 . 29 1 1 A 48 48 LEU C C 48 174.680 175.273 -0.593 1 1 454 . 29 1 1 A 48 48 LEU CA C 48 53.350 52.538 0.812 1 1 455 . 29 1 1 A 48 48 LEU CB C 48 48.150 46.117 2.033 1 1 456 . 29 1 1 A 48 48 LEU N N 48 120.170 115.643 4.527 1 1 457 . 29 1 1 A 49 49 LEU H H 49 8.686 9.252 -0.566 1 1 458 . 29 1 1 A 49 49 LEU HA H 49 5.403 5.511 -0.108 1 1 468 . 29 1 1 A 49 49 LEU C C 49 176.170 174.648 1.522 1 1 469 . 29 1 1 A 49 49 LEU CA C 49 52.810 52.985 -0.175 1 1 470 . 29 1 1 A 49 49 LEU CB C 49 46.310 46.478 -0.168 1 1 471 . 29 1 1 A 49 49 LEU N N 49 120.170 116.739 3.431 1 1 472 . 29 1 1 A 50 50 VAL H H 50 8.874 9.301 -0.427 1 1 473 . 29 1 1 A 50 50 VAL HA H 50 4.971 5.094 -0.123 1 1 481 . 29 1 1 A 50 50 VAL C C 50 176.740 173.998 2.742 1 1 482 . 29 1 1 A 50 50 VAL CA C 50 59.940 59.868 0.072 1 1 483 . 29 1 1 A 50 50 VAL CB C 50 34.970 34.960 0.010 1 1 484 . 29 1 1 A 50 50 VAL N N 50 120.580 119.895 0.685 1 1 485 . 29 1 1 A 51 51 VAL H H 51 8.984 9.094 -0.110 1 1 486 . 29 1 1 A 51 51 VAL HA H 51 4.155 4.057 0.098 1 1 494 . 29 1 1 A 51 51 VAL C C 51 176.050 176.045 0.005 1 1 495 . 29 1 1 A 51 51 VAL CA C 51 64.280 63.221 1.059 1 1 496 . 29 1 1 A 51 51 VAL CB C 51 31.280 31.391 -0.111 1 1 497 . 29 1 1 A 51 51 VAL N N 51 125.710 128.490 -2.780 1 1 498 . 29 1 1 A 52 52 LYS H H 52 9.444 9.181 0.263 1 1 499 . 29 1 1 A 52 52 LYS HA H 52 4.450 4.348 0.102 1 1 506 . 29 1 1 A 52 52 LYS C C 52 176.150 175.772 0.378 1 1 507 . 29 1 1 A 52 52 LYS CA C 52 57.050 57.465 -0.415 1 1 508 . 29 1 1 A 52 52 LYS CB C 52 34.470 33.859 0.611 1 1 509 . 29 1 1 A 52 52 LYS N N 52 132.750 129.815 2.935 1 1 510 . 29 1 1 A 53 53 ARG H H 53 8.051 7.605 0.446 1 1 511 . 29 1 1 A 53 53 ARG HA H 53 4.685 4.921 -0.236 1 1 516 . 29 1 1 A 53 53 ARG C C 53 173.470 174.769 -1.299 1 1 517 . 29 1 1 A 53 53 ARG CA C 53 55.090 55.142 -0.052 1 1 518 . 29 1 1 A 53 53 ARG CB C 53 34.300 34.283 0.017 1 1 519 . 29 1 1 A 53 53 ARG N N 53 117.320 118.872 -1.552 1 1 520 . 29 1 1 A 54 54 GLY H H 54 8.377 8.321 0.056 1 1 521 . 29 1 1 A 54 54 GLY HA2 H 54 4.215 3.836 0.379 1 1 522 . 29 1 1 A 54 54 GLY HA3 H 54 3.503 4.243 -0.740 1 1 523 . 29 1 1 A 54 54 GLY C C 54 171.870 174.144 -2.274 1 1 524 . 29 1 1 A 54 54 GLY CA C 54 43.770 44.458 -0.688 1 1 525 . 29 1 1 A 54 54 GLY N N 54 110.960 112.439 -1.479 1 1 526 . 29 1 1 A 55 55 PRO HA H 55 4.255 4.378 -0.123 1 1 531 . 29 1 1 A 55 55 PRO C C 55 175.940 177.400 -1.460 1 1 532 . 29 1 1 A 55 55 PRO CA C 55 64.390 65.000 -0.610 1 1 533 . 29 1 1 A 55 55 PRO CB C 55 31.360 31.859 -0.499 1 1 534 . 29 1 1 A 56 56 ASN H H 56 8.202 8.637 -0.435 1 1 535 . 29 1 1 A 56 56 ASN HA H 56 4.685 4.854 -0.169 1 1 540 . 29 1 1 A 56 56 ASN C C 56 174.410 175.522 -1.112 1 1 541 . 29 1 1 A 56 56 ASN CA C 56 52.120 52.536 -0.416 1 1 542 . 29 1 1 A 56 56 ASN CB C 56 37.070 37.851 -0.781 1 1 543 . 29 1 1 A 56 56 ASN N N 56 114.760 113.639 1.121 1 1 545 . 29 1 1 A 57 57 ALA H H 57 7.283 7.498 -0.215 1 1 546 . 29 1 1 A 57 57 ALA HA H 57 3.618 4.170 -0.552 1 1 550 . 29 1 1 A 57 57 ALA C C 57 178.090 178.404 -0.314 1 1 551 . 29 1 1 A 57 57 ALA CA C 57 54.480 53.745 0.735 1 1 552 . 29 1 1 A 57 57 ALA CB C 57 17.760 18.809 -1.049 1 1 553 . 29 1 1 A 57 57 ALA N N 57 120.380 124.206 -3.826 1 1 554 . 29 1 1 A 58 58 GLY H H 58 9.052 9.475 -0.423 1 1 555 . 29 1 1 A 58 58 GLY HA2 H 58 4.449 4.026 0.423 1 1 556 . 29 1 1 A 58 58 GLY HA3 H 58 3.415 4.026 -0.611 1 1 557 . 29 1 1 A 58 58 GLY C C 58 174.610 174.414 0.196 1 1 558 . 29 1 1 A 58 58 GLY CA C 58 44.530 45.059 -0.529 1 1 559 . 29 1 1 A 58 58 GLY N N 58 112.180 110.568 1.612 1 1 560 . 29 1 1 A 59 59 ALA H H 59 8.171 7.554 0.617 1 1 561 . 29 1 1 A 59 59 ALA HA H 59 4.081 4.357 -0.276 1 1 565 . 29 1 1 A 59 59 ALA C C 59 175.220 177.666 -2.446 1 1 566 . 29 1 1 A 59 59 ALA CA C 59 53.170 51.822 1.348 1 1 567 . 29 1 1 A 59 59 ALA CB C 59 19.360 19.907 -0.547 1 1 568 . 29 1 1 A 59 59 ALA N N 59 124.650 123.817 0.833 1 1 569 . 29 1 1 A 60 60 ARG H H 60 7.751 8.719 -0.968 1 1 570 . 29 1 1 A 60 60 ARG HA H 60 5.105 5.234 -0.129 1 1 575 . 29 1 1 A 60 60 ARG C C 60 175.320 174.999 0.321 1 1 576 . 29 1 1 A 60 60 ARG CA C 60 54.150 54.552 -0.402 1 1 577 . 29 1 1 A 60 60 ARG CB C 60 34.130 33.026 1.104 1 1 578 . 29 1 1 A 60 60 ARG N N 60 116.920 119.409 -2.489 1 1 579 . 29 1 1 A 61 61 PHE H H 61 9.213 9.323 -0.110 1 1 580 . 29 1 1 A 61 61 PHE HA H 61 4.788 5.082 -0.294 1 1 587 . 29 1 1 A 61 61 PHE C C 61 173.930 174.214 -0.284 1 1 588 . 29 1 1 A 61 61 PHE CA C 61 56.500 56.640 -0.140 1 1 589 . 29 1 1 A 61 61 PHE CB C 61 41.860 43.688 -1.828 1 1 590 . 29 1 1 A 61 61 PHE N N 61 121.090 118.691 2.399 1 1 591 . 29 1 1 A 62 62 LEU H H 62 8.638 9.086 -0.448 1 1 592 . 29 1 1 A 62 62 LEU HA H 62 4.566 5.186 -0.620 1 1 602 . 29 1 1 A 62 62 LEU C C 62 176.570 174.931 1.639 1 1 603 . 29 1 1 A 62 62 LEU CA C 62 55.130 53.479 1.651 1 1 604 . 29 1 1 A 62 62 LEU CB C 62 43.620 45.810 -2.190 1 1 605 . 29 1 1 A 62 62 LEU N N 62 125.630 124.121 1.509 1 1 606 . 29 1 1 A 63 63 LEU H H 63 8.929 9.344 -0.415 1 1 607 . 29 1 1 A 63 63 LEU HA H 63 4.852 4.487 0.365 1 1 617 . 29 1 1 A 63 63 LEU C C 63 175.070 176.773 -1.703 1 1 618 . 29 1 1 A 63 63 LEU CA C 63 53.170 54.946 -1.776 1 1 619 . 29 1 1 A 63 63 LEU CB C 63 42.110 41.034 1.076 1 1 620 . 29 1 1 A 63 63 LEU N N 63 125.980 127.246 -1.266 1 1 621 . 29 1 1 A 64 64 ASP H H 64 8.601 9.117 -0.516 1 1 622 . 29 1 1 A 64 64 ASP HA H 64 4.736 4.868 -0.132 1 1 625 . 29 1 1 A 64 64 ASP C C 64 175.130 175.854 -0.724 1 1 626 . 29 1 1 A 64 64 ASP CA C 64 53.640 54.674 -1.034 1 1 627 . 29 1 1 A 64 64 ASP CB C 64 41.020 42.740 -1.720 1 1 628 . 29 1 1 A 64 64 ASP N N 64 120.910 126.286 -5.376 1 1 629 . 29 1 1 A 65 65 GLN H H 65 7.497 7.609 -0.112 1 1 630 . 29 1 1 A 65 65 GLN HA H 65 4.856 4.740 0.116 1 1 637 . 29 1 1 A 65 65 GLN C C 65 173.550 175.626 -2.076 1 1 638 . 29 1 1 A 65 65 GLN CA C 65 52.780 53.509 -0.729 1 1 639 . 29 1 1 A 65 65 GLN N N 65 117.420 115.514 1.906 1 1 641 . 29 1 1 A 66 66 PRO HA H 66 4.190 4.381 -0.191 1 1 648 . 29 1 1 A 66 66 PRO C C 66 177.400 176.674 0.726 1 1 649 . 29 1 1 A 66 66 PRO CA C 66 66.810 64.524 2.286 1 1 650 . 29 1 1 A 66 66 PRO CB C 66 32.370 32.146 0.224 1 1 651 . 29 1 1 A 67 67 THR H H 67 7.647 7.497 0.150 1 1 652 . 29 1 1 A 67 67 THR HA H 67 4.811 5.390 -0.579 1 1 657 . 29 1 1 A 67 67 THR C C 67 173.280 173.121 0.159 1 1 658 . 29 1 1 A 67 67 THR CA C 67 62.830 61.275 1.555 1 1 659 . 29 1 1 A 67 67 THR CB C 67 71.740 71.478 0.262 1 1 660 . 29 1 1 A 67 67 THR N N 67 109.270 112.422 -3.152 1 1 661 . 29 1 1 A 68 68 THR H H 68 8.919 9.384 -0.465 1 1 662 . 29 1 1 A 68 68 THR HA H 68 4.968 5.097 -0.129 1 1 667 . 29 1 1 A 68 68 THR C C 68 175.090 173.827 1.263 1 1 668 . 29 1 1 A 68 68 THR CA C 68 61.820 61.697 0.123 1 1 669 . 29 1 1 A 68 68 THR CB C 68 70.730 70.803 -0.073 1 1 670 . 29 1 1 A 68 68 THR N N 68 125.610 123.601 2.009 1 1 671 . 29 1 1 A 69 69 THR H H 69 10.398 8.900 1.498 1 1 672 . 29 1 1 A 69 69 THR HA H 69 4.491 4.987 -0.496 1 1 677 . 29 1 1 A 69 69 THR C C 69 173.140 173.619 -0.479 1 1 678 . 29 1 1 A 69 69 THR CA C 69 61.790 61.173 0.617 1 1 679 . 29 1 1 A 69 69 THR CB C 69 70.820 70.364 0.456 1 1 680 . 29 1 1 A 69 69 THR N N 69 121.520 122.579 -1.059 1 1 681 . 29 1 1 A 70 70 ALA H H 70 8.722 9.021 -0.299 1 1 682 . 29 1 1 A 70 70 ALA HA H 70 5.696 5.263 0.433 1 1 686 . 29 1 1 A 70 70 ALA C C 70 175.840 175.940 -0.100 1 1 687 . 29 1 1 A 70 70 ALA CA C 70 50.030 50.409 -0.379 1 1 688 . 29 1 1 A 70 70 ALA CB C 70 22.300 22.364 -0.064 1 1 689 . 29 1 1 A 70 70 ALA N N 70 122.410 126.860 -4.450 1 1 690 . 29 1 1 A 71 71 GLY H H 71 8.430 8.045 0.385 1 1 691 . 29 1 1 A 71 71 GLY HA2 H 71 4.474 4.054 0.420 1 1 692 . 29 1 1 A 71 71 GLY HA3 H 71 3.903 4.167 -0.264 1 1 693 . 29 1 1 A 71 71 GLY C C 71 170.540 172.396 -1.856 1 1 694 . 29 1 1 A 71 71 GLY CA C 71 46.300 44.431 1.869 1 1 695 . 29 1 1 A 71 71 GLY N N 71 108.960 107.986 0.974 1 1 696 . 29 1 1 A 72 72 ARG H H 72 8.341 8.189 0.152 1 1 697 . 29 1 1 A 72 72 ARG HA H 72 4.481 5.332 -0.851 1 1 702 . 29 1 1 A 72 72 ARG C C 72 175.720 174.723 0.997 1 1 703 . 29 1 1 A 72 72 ARG CA C 72 54.800 54.563 0.237 1 1 704 . 29 1 1 A 72 72 ARG CB C 72 32.540 32.619 -0.079 1 1 705 . 29 1 1 A 72 72 ARG N N 72 120.930 119.811 1.119 1 1 706 . 29 1 1 A 73 73 HIS H H 73 9.295 8.720 0.575 1 1 707 . 29 1 1 A 73 73 HIS HA H 73 4.403 4.856 -0.453 1 1 712 . 29 1 1 A 73 73 HIS C C 73 176.860 174.945 1.915 1 1 713 . 29 1 1 A 73 73 HIS CA C 73 57.050 54.011 3.039 1 1 714 . 29 1 1 A 73 73 HIS N N 73 125.290 118.642 6.648 1 1 715 . 29 1 1 A 74 74 PRO HA H 74 4.373 4.333 0.040 1 1 722 . 29 1 1 A 74 74 PRO C C 74 177.590 177.441 0.149 1 1 723 . 29 1 1 A 74 74 PRO CA C 74 64.930 65.202 -0.272 1 1 724 . 29 1 1 A 74 74 PRO CB C 74 32.030 32.064 -0.034 1 1 725 . 29 1 1 A 75 75 GLU H H 75 10.575 8.767 1.808 1 1 726 . 29 1 1 A 75 75 GLU HA H 75 4.352 4.363 -0.011 1 1 731 . 29 1 1 A 75 75 GLU C C 75 177.320 176.423 0.897 1 1 732 . 29 1 1 A 75 75 GLU CA C 75 56.070 56.124 -0.054 1 1 733 . 29 1 1 A 75 75 GLU CB C 75 29.010 29.233 -0.223 1 1 734 . 29 1 1 A 75 75 GLU N N 75 119.840 116.639 3.201 1 1 735 . 29 1 1 A 76 76 SER H H 76 8.236 7.427 0.809 1 1 736 . 29 1 1 A 76 76 SER HA H 76 4.100 4.286 -0.186 1 1 739 . 29 1 1 A 76 76 SER C C 76 173.120 173.908 -0.788 1 1 740 . 29 1 1 A 76 76 SER CA C 76 60.160 60.073 0.087 1 1 741 . 29 1 1 A 76 76 SER CB C 76 65.530 64.016 1.514 1 1 742 . 29 1 1 A 76 76 SER N N 76 118.860 117.466 1.394 1 1 743 . 29 1 1 A 77 77 ASP H H 77 8.541 8.414 0.127 1 1 744 . 29 1 1 A 77 77 ASP HA H 77 4.344 4.530 -0.186 1 1 747 . 29 1 1 A 77 77 ASP C C 77 177.590 176.096 1.494 1 1 748 . 29 1 1 A 77 77 ASP CA C 77 58.380 56.549 1.831 1 1 749 . 29 1 1 A 77 77 ASP CB C 77 42.110 41.216 0.894 1 1 750 . 29 1 1 A 77 77 ASP N N 77 126.720 123.880 2.840 1 1 751 . 29 1 1 A 78 78 ILE H H 78 8.571 7.136 1.435 1 1 752 . 29 1 1 A 78 78 ILE HA H 78 3.563 3.555 0.008 1 1 762 . 29 1 1 A 78 78 ILE C C 78 172.930 174.332 -1.402 1 1 763 . 29 1 1 A 78 78 ILE CA C 78 60.880 59.758 1.122 1 1 764 . 29 1 1 A 78 78 ILE CB C 78 37.410 38.418 -1.008 1 1 765 . 29 1 1 A 78 78 ILE N N 78 120.210 114.309 5.901 1 1 766 . 29 1 1 A 79 79 PHE H H 79 8.018 8.862 -0.844 1 1 767 . 29 1 1 A 79 79 PHE HA H 79 5.018 5.057 -0.039 1 1 775 . 29 1 1 A 79 79 PHE C C 79 174.130 174.003 0.127 1 1 776 . 29 1 1 A 79 79 PHE CA C 79 55.780 57.351 -1.571 1 1 777 . 29 1 1 A 79 79 PHE CB C 79 39.170 40.479 -1.309 1 1 778 . 29 1 1 A 79 79 PHE N N 79 127.300 127.602 -0.302 1 1 779 . 29 1 1 A 80 80 LEU H H 80 7.695 8.306 -0.611 1 1 780 . 29 1 1 A 80 80 LEU HA H 80 3.619 4.806 -1.187 1 1 790 . 29 1 1 A 80 80 LEU C C 80 173.720 174.383 -0.663 1 1 791 . 29 1 1 A 80 80 LEU CA C 80 52.340 52.973 -0.633 1 1 792 . 29 1 1 A 80 80 LEU CB C 80 41.770 45.062 -3.292 1 1 793 . 29 1 1 A 80 80 LEU N N 80 131.810 128.359 3.451 1 1 794 . 29 1 1 A 81 81 ASP H H 81 7.974 8.958 -0.984 1 1 795 . 29 1 1 A 81 81 ASP HA H 81 4.141 5.362 -1.221 1 1 798 . 29 1 1 A 81 81 ASP C C 81 175.130 174.363 0.767 1 1 799 . 29 1 1 A 81 81 ASP CA C 81 53.210 52.794 0.416 1 1 800 . 29 1 1 A 81 81 ASP CB C 81 39.930 44.590 -4.660 1 1 801 . 29 1 1 A 81 81 ASP N N 81 121.130 124.629 -3.499 1 1 802 . 29 1 1 A 82 82 ASP H H 82 7.583 8.592 -1.009 1 1 803 . 29 1 1 A 82 82 ASP HA H 82 4.859 5.024 -0.165 1 1 806 . 29 1 1 A 82 82 ASP C C 82 176.760 175.070 1.690 1 1 807 . 29 1 1 A 82 82 ASP CA C 82 54.980 52.926 2.054 1 1 808 . 29 1 1 A 82 82 ASP CB C 82 39.170 44.394 -5.224 1 1 809 . 29 1 1 A 82 82 ASP N N 82 121.540 123.249 -1.709 1 1 810 . 29 1 1 A 83 83 VAL H H 83 8.344 8.734 -0.390 1 1 811 . 29 1 1 A 83 83 VAL HA H 83 4.012 4.050 -0.038 1 1 819 . 29 1 1 A 83 83 VAL C C 83 174.860 176.352 -1.492 1 1 820 . 29 1 1 A 83 83 VAL CA C 83 65.330 64.761 0.569 1 1 821 . 29 1 1 A 83 83 VAL CB C 83 31.530 32.170 -0.640 1 1 822 . 29 1 1 A 83 83 VAL N N 83 122.260 120.438 1.822 1 1 823 . 29 1 1 A 84 84 THR H H 84 8.268 7.800 0.468 1 1 824 . 29 1 1 A 84 84 THR HA H 84 4.540 4.389 0.151 1 1 828 . 29 1 1 A 84 84 THR C C 84 175.360 173.855 1.505 1 1 829 . 29 1 1 A 84 84 THR CA C 84 63.810 62.058 1.752 1 1 830 . 29 1 1 A 84 84 THR CB C 84 70.900 67.901 2.999 1 1 831 . 29 1 1 A 84 84 THR N N 84 110.620 116.549 -5.929 1 1 832 . 29 1 1 A 85 85 VAL H H 85 8.579 9.036 -0.457 1 1 833 . 29 1 1 A 85 85 VAL HA H 85 4.254 4.622 -0.368 1 1 841 . 29 1 1 A 85 85 VAL C C 85 177.070 174.814 2.256 1 1 842 . 29 1 1 A 85 85 VAL CA C 85 61.930 61.335 0.595 1 1 843 . 29 1 1 A 85 85 VAL CB C 85 32.450 33.350 -0.900 1 1 844 . 29 1 1 A 85 85 VAL N N 85 126.860 128.932 -2.072 1 1 845 . 29 1 1 A 86 86 SER H H 86 11.668 8.633 3.035 1 1 846 . 29 1 1 A 86 86 SER HA H 86 5.203 5.131 0.072 1 1 849 . 29 1 1 A 86 86 SER C C 86 175.470 175.399 0.071 1 1 850 . 29 1 1 A 86 86 SER CA C 86 61.600 56.214 5.386 1 1 851 . 29 1 1 A 86 86 SER CB C 86 64.270 65.270 -1.000 1 1 852 . 29 1 1 A 86 86 SER N N 86 128.670 119.266 9.404 1 1 853 . 29 1 1 A 87 87 ARG H H 87 10.946 8.614 2.332 1 1 854 . 29 1 1 A 87 87 ARG HA H 87 5.179 4.109 1.070 1 1 862 . 29 1 1 A 87 87 ARG C C 87 177.110 176.391 0.719 1 1 863 . 29 1 1 A 87 87 ARG CA C 87 60.810 59.057 1.753 1 1 864 . 29 1 1 A 87 87 ARG CB C 87 29.010 30.009 -0.999 1 1 865 . 29 1 1 A 87 87 ARG N N 87 126.810 123.487 3.323 1 1 867 . 29 1 1 A 88 88 ARG H H 88 7.946 7.681 0.265 1 1 868 . 29 1 1 A 88 88 ARG HA H 88 4.459 4.692 -0.233 1 1 876 . 29 1 1 A 88 88 ARG C C 88 172.990 175.785 -2.795 1 1 877 . 29 1 1 A 88 88 ARG CA C 88 55.060 55.222 -0.162 1 1 878 . 29 1 1 A 88 88 ARG CB C 88 29.770 33.094 -3.324 1 1 879 . 29 1 1 A 88 88 ARG N N 88 115.670 116.706 -1.036 1 1 881 . 29 1 1 A 89 89 HIS H H 89 7.613 9.366 -1.753 1 1 882 . 29 1 1 A 89 89 HIS HA H 89 4.437 4.483 -0.046 1 1 888 . 29 1 1 A 89 89 HIS C C 89 174.050 174.830 -0.780 1 1 889 . 29 1 1 A 89 89 HIS CA C 89 58.420 57.757 0.663 1 1 890 . 29 1 1 A 89 89 HIS CB C 89 32.620 31.746 0.874 1 1 891 . 29 1 1 A 89 89 HIS N N 89 124.000 118.734 5.266 1 1 893 . 29 1 1 A 90 90 ALA H H 90 8.454 7.170 1.284 1 1 894 . 29 1 1 A 90 90 ALA HA H 90 5.529 4.403 1.126 1 1 898 . 29 1 1 A 90 90 ALA C C 90 176.260 174.484 1.776 1 1 899 . 29 1 1 A 90 90 ALA CA C 90 50.240 51.095 -0.855 1 1 900 . 29 1 1 A 90 90 ALA CB C 90 23.220 22.669 0.551 1 1 901 . 29 1 1 A 90 90 ALA N N 90 116.480 117.844 -1.364 1 1 902 . 29 1 1 A 91 91 GLU H H 91 9.216 8.942 0.274 1 1 903 . 29 1 1 A 91 91 GLU HA H 91 4.931 5.020 -0.089 1 1 908 . 29 1 1 A 91 91 GLU C C 91 173.910 174.255 -0.345 1 1 909 . 29 1 1 A 91 91 GLU CA C 91 54.690 54.531 0.159 1 1 910 . 29 1 1 A 91 91 GLU CB C 91 34.720 33.012 1.708 1 1 911 . 29 1 1 A 91 91 GLU N N 91 118.140 116.937 1.203 1 1 912 . 29 1 1 A 92 92 PHE H H 92 9.330 9.590 -0.260 1 1 913 . 29 1 1 A 92 92 PHE HA H 92 5.502 5.421 0.081 1 1 921 . 29 1 1 A 92 92 PHE C C 92 176.650 174.862 1.788 1 1 922 . 29 1 1 A 92 92 PHE CA C 92 56.760 56.765 -0.005 1 1 923 . 29 1 1 A 92 92 PHE CB C 92 41.690 40.860 0.830 1 1 924 . 29 1 1 A 92 92 PHE N N 92 119.490 122.038 -2.548 1 1 925 . 29 1 1 A 93 93 ARG H H 93 9.846 9.279 0.567 1 1 926 . 29 1 1 A 93 93 ARG HA H 93 5.610 5.038 0.572 1 1 934 . 29 1 1 A 93 93 ARG C C 93 175.010 175.145 -0.135 1 1 935 . 29 1 1 A 93 93 ARG CA C 93 54.580 54.987 -0.407 1 1 936 . 29 1 1 A 93 93 ARG CB C 93 34.220 32.248 1.972 1 1 937 . 29 1 1 A 93 93 ARG N N 93 127.300 122.862 4.438 1 1 939 . 29 1 1 A 94 94 ILE H H 94 8.521 9.466 -0.945 1 1 940 . 29 1 1 A 94 94 ILE HA H 94 4.410 4.948 -0.538 1 1 950 . 29 1 1 A 94 94 ILE C C 94 176.420 174.600 1.820 1 1 951 . 29 1 1 A 94 94 ILE CA C 94 61.130 59.940 1.190 1 1 952 . 29 1 1 A 94 94 ILE CB C 94 38.830 38.398 0.432 1 1 953 . 29 1 1 A 94 94 ILE N N 94 121.680 125.007 -3.327 1 1 954 . 29 1 1 A 95 95 ASN H H 95 8.847 9.188 -0.341 1 1 955 . 29 1 1 A 95 95 ASN HA H 95 4.796 5.039 -0.243 1 1 960 . 29 1 1 A 95 95 ASN C C 95 174.430 174.307 0.123 1 1 961 . 29 1 1 A 95 95 ASN CA C 95 52.560 52.510 0.050 1 1 962 . 29 1 1 A 95 95 ASN CB C 95 40.510 40.878 -0.368 1 1 963 . 29 1 1 A 95 95 ASN N N 95 127.100 124.914 2.186 1 1 965 . 29 1 1 A 96 96 GLU H H 96 9.303 9.446 -0.143 1 1 966 . 29 1 1 A 96 96 GLU HA H 96 3.768 4.020 -0.252 1 1 971 . 29 1 1 A 96 96 GLU C C 96 176.280 176.423 -0.143 1 1 972 . 29 1 1 A 96 96 GLU CA C 96 57.150 57.568 -0.418 1 1 973 . 29 1 1 A 96 96 GLU CB C 96 27.590 28.140 -0.550 1 1 974 . 29 1 1 A 96 96 GLU N N 96 125.150 127.067 -1.917 1 1 975 . 29 1 1 A 97 97 GLY H H 97 7.937 8.361 -0.424 1 1 976 . 29 1 1 A 97 97 GLY HA2 H 97 4.042 3.659 0.383 1 1 977 . 29 1 1 A 97 97 GLY HA3 H 97 3.450 3.769 -0.319 1 1 978 . 29 1 1 A 97 97 GLY C C 97 172.990 173.488 -0.498 1 1 979 . 29 1 1 A 97 97 GLY CA C 97 45.390 45.188 0.202 1 1 980 . 29 1 1 A 97 97 GLY N N 97 104.330 104.502 -0.172 1 1 981 . 29 1 1 A 98 98 GLU H H 98 7.557 7.824 -0.267 1 1 982 . 29 1 1 A 98 98 GLU HA H 98 4.591 4.588 0.003 1 1 987 . 29 1 1 A 98 98 GLU C C 98 174.530 175.768 -1.238 1 1 988 . 29 1 1 A 98 98 GLU CA C 98 54.770 55.464 -0.694 1 1 989 . 29 1 1 A 98 98 GLU CB C 98 32.290 31.271 1.019 1 1 990 . 29 1 1 A 98 98 GLU N N 98 119.350 120.089 -0.739 1 1 991 . 29 1 1 A 99 99 PHE H H 99 9.412 9.141 0.271 1 1 992 . 29 1 1 A 99 99 PHE HA H 99 5.007 5.202 -0.195 1 1 999 . 29 1 1 A 99 99 PHE C C 99 174.050 175.184 -1.134 1 1 1000 . 29 1 1 A 99 99 PHE CA C 99 57.260 56.670 0.590 1 1 1001 . 29 1 1 A 99 99 PHE CB C 99 42.110 41.116 0.994 1 1 1002 . 29 1 1 A 99 99 PHE N N 99 122.550 122.341 0.209 1 1 1003 . 29 1 1 A 100 100 GLU H H 100 9.444 9.704 -0.260 1 1 1004 . 29 1 1 A 100 100 GLU HA H 100 5.145 5.239 -0.094 1 1 1009 . 29 1 1 A 100 100 GLU C C 100 175.340 174.469 0.871 1 1 1010 . 29 1 1 A 100 100 GLU CA C 100 54.080 54.690 -0.610 1 1 1011 . 29 1 1 A 100 100 GLU CB C 100 34.720 33.335 1.385 1 1 1012 . 29 1 1 A 100 100 GLU N N 100 124.080 120.550 3.530 1 1 1013 . 29 1 1 A 101 101 VAL H H 101 8.726 9.340 -0.614 1 1 1014 . 29 1 1 A 101 101 VAL HA H 101 4.900 4.585 0.315 1 1 1022 . 29 1 1 A 101 101 VAL C C 101 172.510 174.942 -2.432 1 1 1023 . 29 1 1 A 101 101 VAL CA C 101 58.710 61.592 -2.882 1 1 1024 . 29 1 1 A 101 101 VAL CB C 101 33.550 33.121 0.429 1 1 1025 . 29 1 1 A 101 101 VAL N N 101 124.500 124.249 0.251 1 1 1026 . 29 1 1 A 102 102 VAL H H 102 8.719 9.359 -0.640 1 1 1027 . 29 1 1 A 102 102 VAL HA H 102 4.578 4.567 0.011 1 1 1035 . 29 1 1 A 102 102 VAL C C 102 175.380 174.440 0.940 1 1 1036 . 29 1 1 A 102 102 VAL CA C 102 60.370 60.683 -0.313 1 1 1037 . 29 1 1 A 102 102 VAL CB C 102 36.060 34.364 1.696 1 1 1038 . 29 1 1 A 102 102 VAL N N 102 125.900 128.034 -2.134 1 1 1039 . 29 1 1 A 103 103 ASP H H 103 8.626 9.234 -0.608 1 1 1040 . 29 1 1 A 103 103 ASP HA H 103 4.856 4.469 0.387 1 1 1043 . 29 1 1 A 103 103 ASP C C 103 177.300 176.474 0.826 1 1 1044 . 29 1 1 A 103 103 ASP CA C 103 54.580 54.240 0.340 1 1 1045 . 29 1 1 A 103 103 ASP CB C 103 44.210 41.611 2.599 1 1 1046 . 29 1 1 A 103 103 ASP N N 103 127.250 127.347 -0.097 1 1 1047 . 29 1 1 A 104 104 VAL H H 104 7.890 8.666 -0.776 1 1 1048 . 29 1 1 A 104 104 VAL HA H 104 4.527 4.449 0.078 1 1 1056 . 29 1 1 A 104 104 VAL C C 104 174.490 175.444 -0.954 1 1 1057 . 29 1 1 A 104 104 VAL CA C 104 60.630 60.570 0.060 1 1 1058 . 29 1 1 A 104 104 VAL CB C 104 29.350 32.942 -3.592 1 1 1059 . 29 1 1 A 104 104 VAL N N 104 119.270 120.494 -1.224 1 1 1060 . 29 1 1 A 105 105 GLY H H 105 8.690 7.234 1.456 1 1 1061 . 29 1 1 A 105 105 GLY HA2 H 105 4.270 4.058 0.212 1 1 1062 . 29 1 1 A 105 105 GLY HA3 H 105 3.685 4.070 -0.385 1 1 1063 . 29 1 1 A 105 105 GLY C C 105 175.490 174.135 1.355 1 1 1064 . 29 1 1 A 105 105 GLY CA C 105 45.650 45.614 0.036 1 1 1065 . 29 1 1 A 105 105 GLY N N 105 111.790 110.114 1.676 1 1 1066 . 29 1 1 A 106 106 SER H H 106 9.218 8.758 0.460 1 1 1067 . 29 1 1 A 106 106 SER HA H 106 3.894 4.368 -0.474 1 1 1070 . 29 1 1 A 106 106 SER C C 106 174.590 174.829 -0.239 1 1 1071 . 29 1 1 A 106 106 SER CA C 106 58.600 59.048 -0.448 1 1 1072 . 29 1 1 A 106 106 SER CB C 106 61.250 62.808 -1.558 1 1 1073 . 29 1 1 A 106 106 SER N N 106 121.540 118.736 2.804 1 1 1074 . 29 1 1 A 107 107 LEU H H 107 8.018 7.875 0.143 1 1 1075 . 29 1 1 A 107 107 LEU HA H 107 4.240 4.152 0.088 1 1 1085 . 29 1 1 A 107 107 LEU C C 107 179.420 178.009 1.411 1 1 1086 . 29 1 1 A 107 107 LEU CA C 107 57.590 57.347 0.243 1 1 1087 . 29 1 1 A 107 107 LEU CB C 107 42.360 42.062 0.298 1 1 1088 . 29 1 1 A 107 107 LEU N N 107 121.520 123.194 -1.674 1 1 1089 . 29 1 1 A 108 108 ASN H H 108 8.799 7.476 1.323 1 1 1090 . 29 1 1 A 108 108 ASN HA H 108 4.986 4.485 0.501 1 1 1093 . 29 1 1 A 108 108 ASN C C 108 175.950 176.370 -0.420 1 1 1094 . 29 1 1 A 108 108 ASN CA C 108 54.440 52.961 1.479 1 1 1095 . 29 1 1 A 108 108 ASN CB C 108 41.180 39.618 1.562 1 1 1096 . 29 1 1 A 108 108 ASN N N 108 111.800 114.633 -2.833 1 1 1097 . 29 1 1 A 109 109 GLY H H 109 8.025 7.543 0.482 1 1 1098 . 29 1 1 A 109 109 GLY HA2 H 109 4.237 3.923 0.314 1 1 1099 . 29 1 1 A 109 109 GLY HA3 H 109 3.621 3.941 -0.320 1 1 1100 . 29 1 1 A 109 109 GLY C C 109 173.820 173.380 0.440 1 1 1101 . 29 1 1 A 109 109 GLY CA C 109 44.340 44.647 -0.307 1 1 1102 . 29 1 1 A 109 109 GLY N N 109 110.600 107.219 3.381 1 1 1103 . 29 1 1 A 110 110 THR H H 110 8.770 8.673 0.097 1 1 1104 . 29 1 1 A 110 110 THR HA H 110 4.797 4.761 0.036 1 1 1109 . 29 1 1 A 110 110 THR C C 110 172.570 173.875 -1.305 1 1 1110 . 29 1 1 A 110 110 THR CA C 110 64.540 63.184 1.356 1 1 1111 . 29 1 1 A 110 110 THR CB C 110 70.230 68.966 1.264 1 1 1112 . 29 1 1 A 110 110 THR N N 110 121.240 117.402 3.838 1 1 1113 . 29 1 1 A 111 111 TYR H H 111 8.272 8.992 -0.720 1 1 1114 . 29 1 1 A 111 111 TYR HA H 111 5.155 5.505 -0.350 1 1 1121 . 29 1 1 A 111 111 TYR C C 111 175.860 175.026 0.834 1 1 1122 . 29 1 1 A 111 111 TYR CA C 111 55.820 56.715 -0.895 1 1 1123 . 29 1 1 A 111 111 TYR CB C 111 41.100 41.704 -0.604 1 1 1124 . 29 1 1 A 111 111 TYR N N 111 123.680 125.871 -2.191 1 1 1125 . 29 1 1 A 112 112 VAL H H 112 9.017 9.112 -0.095 1 1 1126 . 29 1 1 A 112 112 VAL HA H 112 4.951 4.592 0.359 1 1 1134 . 29 1 1 A 112 112 VAL C C 112 176.780 176.323 0.457 1 1 1135 . 29 1 1 A 112 112 VAL CA C 112 61.130 61.153 -0.023 1 1 1136 . 29 1 1 A 112 112 VAL CB C 112 32.870 33.901 -1.031 1 1 1137 . 29 1 1 A 112 112 VAL N N 112 121.300 123.515 -2.215 1 1 1138 . 29 1 1 A 113 113 ASN H H 113 10.285 9.997 0.288 1 1 1139 . 29 1 1 A 113 113 ASN HA H 113 4.483 4.666 -0.183 1 1 1144 . 29 1 1 A 113 113 ASN C C 113 174.590 174.310 0.280 1 1 1145 . 29 1 1 A 113 113 ASN CA C 113 55.160 54.550 0.610 1 1 1146 . 29 1 1 A 113 113 ASN CB C 113 37.240 37.111 0.129 1 1 1147 . 29 1 1 A 113 113 ASN N N 113 129.510 127.048 2.462 1 1 1149 . 29 1 1 A 114 114 ARG H H 114 9.459 8.562 0.897 1 1 1150 . 29 1 1 A 114 114 ARG HA H 114 3.659 3.903 -0.244 1 1 1158 . 29 1 1 A 114 114 ARG C C 114 174.900 174.983 -0.083 1 1 1159 . 29 1 1 A 114 114 ARG CA C 114 58.280 57.809 0.471 1 1 1160 . 29 1 1 A 114 114 ARG CB C 114 27.250 27.678 -0.428 1 1 1161 . 29 1 1 A 114 114 ARG N N 114 106.570 110.822 -4.252 1 1 1163 . 29 1 1 A 115 115 GLU H H 115 7.827 7.927 -0.100 1 1 1164 . 29 1 1 A 115 115 GLU HA H 115 5.153 4.815 0.338 1 1 1169 . 29 1 1 A 115 115 GLU C C 115 173.950 174.423 -0.473 1 1 1170 . 29 1 1 A 115 115 GLU CA C 115 52.990 53.140 -0.150 1 1 1171 . 29 1 1 A 115 115 GLU N N 115 119.780 118.663 1.117 1 1 1172 . 29 1 1 A 116 116 PRO HA H 116 3.983 4.462 -0.479 1 1 1177 . 29 1 1 A 116 116 PRO C C 116 177.780 175.859 1.921 1 1 1178 . 29 1 1 A 116 116 PRO CA C 116 62.910 63.158 -0.248 1 1 1179 . 29 1 1 A 116 116 PRO CB C 116 31.200 31.793 -0.593 1 1 1180 . 29 1 1 A 117 117 ARG H H 117 8.414 8.772 -0.358 1 1 1181 . 29 1 1 A 117 117 ARG HA H 117 4.699 4.780 -0.081 1 1 1189 . 29 1 1 A 117 117 ARG C C 117 175.260 175.553 -0.293 1 1 1190 . 29 1 1 A 117 117 ARG CA C 117 52.990 54.379 -1.389 1 1 1191 . 29 1 1 A 117 117 ARG CB C 117 24.560 34.062 -9.502 1 1 1192 . 29 1 1 A 117 117 ARG N N 117 121.900 123.532 -1.632 1 1 1194 . 29 1 1 A 118 118 ASN H H 118 8.741 8.620 0.121 1 1 1195 . 29 1 1 A 118 118 ASN HA H 118 4.731 4.933 -0.202 1 1 1200 . 29 1 1 A 118 118 ASN C C 118 175.220 175.383 -0.163 1 1 1201 . 29 1 1 A 118 118 ASN CA C 118 55.090 53.082 2.008 1 1 1202 . 29 1 1 A 118 118 ASN CB C 118 38.920 40.572 -1.652 1 1 1203 . 29 1 1 A 118 118 ASN N N 118 120.190 116.419 3.771 1 1 1205 . 29 1 1 A 119 119 ALA H H 119 7.372 7.716 -0.344 1 1 1206 . 29 1 1 A 119 119 ALA HA H 119 5.319 5.081 0.238 1 1 1210 . 29 1 1 A 119 119 ALA C C 119 176.720 175.150 1.570 1 1 1211 . 29 1 1 A 119 119 ALA CA C 119 52.120 51.359 0.761 1 1 1212 . 29 1 1 A 119 119 ALA CB C 119 21.460 22.477 -1.017 1 1 1213 . 29 1 1 A 119 119 ALA N N 119 120.380 119.835 0.545 1 1 1214 . 29 1 1 A 120 120 GLN H H 120 8.787 8.900 -0.113 1 1 1215 . 29 1 1 A 120 120 GLN HA H 120 4.505 4.649 -0.144 1 1 1222 . 29 1 1 A 120 120 GLN C C 120 174.380 173.972 0.408 1 1 1223 . 29 1 1 A 120 120 GLN CA C 120 56.030 55.141 0.889 1 1 1224 . 29 1 1 A 120 120 GLN CB C 120 32.790 32.674 0.116 1 1 1225 . 29 1 1 A 120 120 GLN N N 120 121.180 121.884 -0.704 1 1 1227 . 29 1 1 A 121 121 VAL H H 121 8.692 8.677 0.015 1 1 1228 . 29 1 1 A 121 121 VAL HA H 121 4.258 4.234 0.024 1 1 1236 . 29 1 1 A 121 121 VAL C C 121 176.510 175.336 1.174 1 1 1237 . 29 1 1 A 121 121 VAL CA C 121 64.140 62.629 1.511 1 1 1238 . 29 1 1 A 121 121 VAL CB C 121 31.700 31.924 -0.224 1 1 1239 . 29 1 1 A 121 121 VAL N N 121 129.930 127.125 2.805 1 1 1240 . 29 1 1 A 122 122 MET H H 122 8.924 9.546 -0.622 1 1 1241 . 29 1 1 A 122 122 MET HA H 122 4.419 5.101 -0.682 1 1 1249 . 29 1 1 A 122 122 MET C C 122 174.380 176.006 -1.626 1 1 1250 . 29 1 1 A 122 122 MET CA C 122 55.740 54.569 1.171 1 1 1251 . 29 1 1 A 122 122 MET CB C 122 35.140 33.449 1.691 1 1 1252 . 29 1 1 A 122 122 MET N N 122 129.560 127.366 2.194 1 1 1253 . 29 1 1 A 123 123 GLN H H 123 9.002 9.001 0.001 1 1 1254 . 29 1 1 A 123 123 GLN HA H 123 4.823 5.119 -0.296 1 1 1261 . 29 1 1 A 123 123 GLN C C 123 175.530 174.282 1.248 1 1 1262 . 29 1 1 A 123 123 GLN CA C 123 53.570 53.862 -0.292 1 1 1263 . 29 1 1 A 123 123 GLN CB C 123 32.290 32.562 -0.272 1 1 1264 . 29 1 1 A 123 123 GLN N N 123 119.810 122.728 -2.918 1 1 1266 . 29 1 1 A 124 124 THR H H 124 9.036 8.647 0.389 1 1 1267 . 29 1 1 A 124 124 THR HA H 124 4.208 4.271 -0.063 1 1 1272 . 29 1 1 A 124 124 THR C C 124 175.300 175.629 -0.329 1 1 1273 . 29 1 1 A 124 124 THR CA C 124 65.510 63.626 1.884 1 1 1274 . 29 1 1 A 124 124 THR CB C 124 69.560 68.953 0.607 1 1 1275 . 29 1 1 A 124 124 THR N N 124 119.570 117.126 2.444 1 1 1276 . 29 1 1 A 125 125 GLY H H 125 9.921 9.338 0.583 1 1 1277 . 29 1 1 A 125 125 GLY HA2 H 125 4.552 4.030 0.522 1 1 1278 . 29 1 1 A 125 125 GLY HA3 H 125 3.480 4.042 -0.562 1 1 1279 . 29 1 1 A 125 125 GLY C C 125 174.650 174.170 0.480 1 1 1280 . 29 1 1 A 125 125 GLY CA C 125 44.710 45.005 -0.295 1 1 1281 . 29 1 1 A 125 125 GLY N N 125 117.920 117.047 0.873 1 1 1282 . 29 1 1 A 126 126 ASP H H 126 8.638 8.183 0.455 1 1 1283 . 29 1 1 A 126 126 ASP HA H 126 4.876 4.772 0.104 1 1 1286 . 29 1 1 A 126 126 ASP C C 126 174.650 175.929 -1.279 1 1 1287 . 29 1 1 A 126 126 ASP CA C 126 56.140 54.645 1.495 1 1 1288 . 29 1 1 A 126 126 ASP CB C 126 41.690 41.811 -0.121 1 1 1289 . 29 1 1 A 126 126 ASP N N 126 123.190 121.823 1.367 1 1 1290 . 29 1 1 A 127 127 GLU H H 127 8.316 9.081 -0.765 1 1 1291 . 29 1 1 A 127 127 GLU HA H 127 5.341 5.037 0.304 1 1 1296 . 29 1 1 A 127 127 GLU C C 127 175.990 175.223 0.767 1 1 1297 . 29 1 1 A 127 127 GLU CA C 127 54.440 55.181 -0.741 1 1 1298 . 29 1 1 A 127 127 GLU CB C 127 32.790 32.526 0.264 1 1 1299 . 29 1 1 A 127 127 GLU N N 127 118.480 119.164 -0.684 1 1 1300 . 29 1 1 A 128 128 ILE H H 128 9.910 9.458 0.452 1 1 1301 . 29 1 1 A 128 128 ILE HA H 128 5.334 4.839 0.495 1 1 1311 . 29 1 1 A 128 128 ILE C C 128 174.700 174.487 0.213 1 1 1312 . 29 1 1 A 128 128 ILE CA C 128 59.470 60.234 -0.764 1 1 1313 . 29 1 1 A 128 128 ILE CB C 128 40.600 38.925 1.675 1 1 1314 . 29 1 1 A 128 128 ILE N N 128 128.810 124.523 4.287 1 1 1315 . 29 1 1 A 129 129 GLN H H 129 9.502 9.552 -0.050 1 1 1316 . 29 1 1 A 129 129 GLN HA H 129 5.406 5.398 0.008 1 1 1323 . 29 1 1 A 129 129 GLN C C 129 174.950 174.611 0.339 1 1 1324 . 29 1 1 A 129 129 GLN CA C 129 54.800 54.290 0.510 1 1 1325 . 29 1 1 A 129 129 GLN CB C 129 30.690 32.237 -1.547 1 1 1326 . 29 1 1 A 129 129 GLN N N 129 129.270 128.797 0.473 1 1 1328 . 29 1 1 A 130 130 ILE H H 130 8.498 9.028 -0.530 1 1 1329 . 29 1 1 A 130 130 ILE HA H 130 4.116 4.476 -0.360 1 1 1339 . 29 1 1 A 130 130 ILE C C 130 174.860 176.262 -1.402 1 1 1340 . 29 1 1 A 130 130 ILE CA C 130 60.740 60.084 0.656 1 1 1341 . 29 1 1 A 130 130 ILE CB C 130 41.440 39.371 2.069 1 1 1342 . 29 1 1 A 130 130 ILE N N 130 129.070 127.244 1.826 1 1 1343 . 29 1 1 A 131 131 GLY H H 131 9.924 8.744 1.180 1 1 1344 . 29 1 1 A 131 131 GLY HA2 H 131 3.768 3.852 -0.084 1 1 1345 . 29 1 1 A 131 131 GLY HA3 H 131 3.337 3.892 -0.555 1 1 1346 . 29 1 1 A 131 131 GLY C C 131 174.590 174.634 -0.044 1 1 1347 . 29 1 1 A 131 131 GLY CA C 131 46.700 47.397 -0.697 1 1 1348 . 29 1 1 A 131 131 GLY N N 131 116.470 118.300 -1.830 1 1 1349 . 29 1 1 A 132 132 LYS H H 132 7.141 8.574 -1.433 1 1 1350 . 29 1 1 A 132 132 LYS HA H 132 3.750 4.503 -0.753 1 1 1357 . 29 1 1 A 132 132 LYS C C 132 175.820 176.082 -0.262 1 1 1358 . 29 1 1 A 132 132 LYS CA C 132 57.550 55.766 1.784 1 1 1359 . 29 1 1 A 132 132 LYS CB C 132 33.300 33.521 -0.221 1 1 1360 . 29 1 1 A 132 132 LYS N N 132 122.960 122.863 0.097 1 1 1361 . 29 1 1 A 133 133 PHE H H 133 8.360 8.203 0.157 1 1 1362 . 29 1 1 A 133 133 PHE HA H 133 4.601 4.918 -0.317 1 1 1370 . 29 1 1 A 133 133 PHE C C 133 174.910 175.082 -0.172 1 1 1371 . 29 1 1 A 133 133 PHE CA C 133 58.600 57.019 1.581 1 1 1372 . 29 1 1 A 133 133 PHE CB C 133 40.510 41.319 -0.809 1 1 1373 . 29 1 1 A 133 133 PHE N N 133 118.170 119.981 -1.811 1 1 1374 . 29 1 1 A 134 134 ARG H H 134 8.698 9.219 -0.521 1 1 1375 . 29 1 1 A 134 134 ARG HA H 134 5.212 5.498 -0.286 1 1 1383 . 29 1 1 A 134 134 ARG C C 134 175.150 174.486 0.664 1 1 1384 . 29 1 1 A 134 134 ARG CA C 134 55.060 54.618 0.442 1 1 1385 . 29 1 1 A 134 134 ARG CB C 134 33.550 33.394 0.156 1 1 1386 . 29 1 1 A 134 134 ARG N N 134 120.770 119.155 1.615 1 1 1388 . 29 1 1 A 135 135 LEU H H 135 9.904 9.483 0.421 1 1 1389 . 29 1 1 A 135 135 LEU HA H 135 5.544 5.443 0.101 1 1 1399 . 29 1 1 A 135 135 LEU C C 135 175.260 175.622 -0.362 1 1 1400 . 29 1 1 A 135 135 LEU CA C 135 53.930 53.569 0.361 1 1 1401 . 29 1 1 A 135 135 LEU CB C 135 45.550 44.947 0.603 1 1 1402 . 29 1 1 A 135 135 LEU N N 135 127.130 125.172 1.958 1 1 1403 . 29 1 1 A 136 136 VAL H H 136 9.350 9.261 0.089 1 1 1404 . 29 1 1 A 136 136 VAL HA H 136 5.226 4.764 0.462 1 1 1412 . 29 1 1 A 136 136 VAL C C 136 174.050 174.288 -0.238 1 1 1413 . 29 1 1 A 136 136 VAL CA C 136 60.520 60.998 -0.478 1 1 1414 . 29 1 1 A 136 136 VAL CB C 136 34.890 33.177 1.713 1 1 1415 . 29 1 1 A 136 136 VAL N N 136 121.300 122.745 -1.445 1 1 1416 . 29 1 1 A 137 137 PHE H H 137 8.492 8.996 -0.504 1 1 1417 . 29 1 1 A 137 137 PHE HA H 137 5.007 5.217 -0.210 1 1 1424 . 29 1 1 A 137 137 PHE C C 137 173.340 174.361 -1.021 1 1 1425 . 29 1 1 A 137 137 PHE CA C 137 57.010 56.005 1.005 1 1 1426 . 29 1 1 A 137 137 PHE CB C 137 41.770 42.124 -0.354 1 1 1427 . 29 1 1 A 137 137 PHE N N 137 127.550 128.544 -0.994 1 1 1428 . 29 1 1 A 138 138 LEU H H 138 8.535 8.727 -0.192 1 1 1429 . 29 1 1 A 138 138 LEU HA H 138 4.345 4.968 -0.623 1 1 1439 . 29 1 1 A 138 138 LEU C C 138 173.390 174.492 -1.102 1 1 1440 . 29 1 1 A 138 138 LEU CA C 138 53.680 52.897 0.783 1 1 1441 . 29 1 1 A 138 138 LEU CB C 138 45.210 45.157 0.053 1 1 1442 . 29 1 1 A 138 138 LEU N N 138 128.590 123.303 5.287 1 1 1443 . 29 1 1 A 139 139 ALA H H 139 7.502 9.041 -1.539 1 1 1444 . 29 1 1 A 139 139 ALA HA H 139 3.952 4.966 -1.014 1 1 1448 . 29 1 1 A 139 139 ALA C C 139 178.010 176.694 1.316 1 1 1449 . 29 1 1 A 139 139 ALA CA C 139 51.650 50.344 1.306 1 1 1450 . 29 1 1 A 139 139 ALA CB C 139 20.700 20.610 0.090 1 1 1451 . 29 1 1 A 139 139 ALA N N 139 123.250 124.314 -1.064 1 1 1452 . 29 1 1 A 140 140 GLY H H 140 7.968 8.445 -0.477 1 1 1453 . 29 1 1 A 140 140 GLY HA2 H 140 4.202 4.065 0.137 1 1 1454 . 29 1 1 A 140 140 GLY HA3 H 140 3.595 4.084 -0.489 1 1 1455 . 29 1 1 A 140 140 GLY C C 140 171.240 174.145 -2.905 1 1 1456 . 29 1 1 A 140 140 GLY CA C 140 44.710 46.085 -1.375 1 1 1457 . 29 1 1 A 140 140 GLY N N 140 108.040 109.671 -1.631 1 1 1458 . 29 1 1 A 141 141 PRO HA H 141 4.460 4.563 -0.103 1 1 1463 . 29 1 1 A 141 141 PRO C C 141 176.150 175.475 0.675 1 1 1464 . 29 1 1 A 141 141 PRO CA C 141 63.230 62.799 0.431 1 1 1465 . 29 1 1 A 141 141 PRO CB C 141 32.370 32.316 0.054 1 1 1466 . 29 1 1 A 142 142 ALA H H 142 8.496 8.565 -0.069 1 1 1467 . 29 1 1 A 142 142 ALA HA H 142 4.363 4.572 -0.209 1 1 1471 . 29 1 1 A 142 142 ALA C C 142 177.320 175.945 1.375 1 1 1472 . 29 1 1 A 142 142 ALA CA C 142 52.740 50.839 1.901 1 1 1473 . 29 1 1 A 142 142 ALA CB C 142 19.780 19.391 0.389 1 1 1474 . 29 1 1 A 142 142 ALA N N 142 124.080 125.014 -0.934 1 1 4 . 30 1 1 A 2 2 SER H H 2 8.404 9.032 -0.628 1 1 5 . 30 1 1 A 2 2 SER HA H 2 4.430 5.048 -0.618 1 1 8 . 30 1 1 A 2 2 SER C C 2 174.220 173.989 0.231 1 1 9 . 30 1 1 A 2 2 SER CA C 2 58.650 57.398 1.252 1 1 10 . 30 1 1 A 2 2 SER CB C 2 64.280 65.991 -1.711 1 1 11 . 30 1 1 A 2 2 SER N N 2 116.880 120.214 -3.334 1 1 12 . 30 1 1 A 3 3 ASP H H 3 8.314 8.457 -0.143 1 1 13 . 30 1 1 A 3 3 ASP HA H 3 4.594 4.825 -0.231 1 1 16 . 30 1 1 A 3 3 ASP C C 3 176.070 175.628 0.442 1 1 17 . 30 1 1 A 3 3 ASP CA C 3 54.580 52.684 1.896 1 1 18 . 30 1 1 A 3 3 ASP CB C 3 41.530 41.839 -0.309 1 1 19 . 30 1 1 A 3 3 ASP N N 3 122.210 123.124 -0.914 1 1 20 . 30 1 1 A 4 4 ASN H H 4 8.326 8.694 -0.368 1 1 21 . 30 1 1 A 4 4 ASN HA H 4 4.748 5.394 -0.646 1 1 24 . 30 1 1 A 4 4 ASN C C 4 175.130 174.031 1.099 1 1 25 . 30 1 1 A 4 4 ASN CA C 4 53.430 52.129 1.301 1 1 26 . 30 1 1 A 4 4 ASN CB C 4 38.920 39.686 -0.766 1 1 27 . 30 1 1 A 4 4 ASN N N 4 118.670 118.987 -0.317 1 1 28 . 30 1 1 A 5 5 ASN H H 5 8.467 8.819 -0.352 1 1 29 . 30 1 1 A 5 5 ASN HA H 5 4.702 5.420 -0.718 1 1 32 . 30 1 1 A 5 5 ASN C C 5 175.700 175.022 0.678 1 1 33 . 30 1 1 A 5 5 ASN CA C 5 53.610 51.355 2.255 1 1 34 . 30 1 1 A 5 5 ASN CB C 5 39.090 42.248 -3.158 1 1 35 . 30 1 1 A 5 5 ASN N N 5 119.070 122.661 -3.591 1 1 36 . 30 1 1 A 6 6 GLY H H 6 8.333 8.625 -0.292 1 1 37 . 30 1 1 A 6 6 GLY HA2 H 6 3.960 3.889 0.071 1 1 38 . 30 1 1 A 6 6 GLY HA3 H 6 3.960 3.890 0.070 1 1 39 . 30 1 1 A 6 6 GLY C C 6 174.050 174.624 -0.574 1 1 40 . 30 1 1 A 6 6 GLY CA C 6 45.390 46.939 -1.549 1 1 41 . 30 1 1 A 6 6 GLY N N 6 109.000 108.618 0.382 1 1 42 . 30 1 1 A 7 7 THR H H 7 8.076 7.780 0.296 1 1 43 . 30 1 1 A 7 7 THR HA H 7 4.591 4.616 -0.025 1 1 48 . 30 1 1 A 7 7 THR C C 7 172.840 173.335 -0.495 1 1 49 . 30 1 1 A 7 7 THR CA C 7 60.050 58.996 1.054 1 1 50 . 30 1 1 A 7 7 THR N N 7 116.910 110.196 6.714 1 1 51 . 30 1 1 A 8 8 PRO HA H 8 4.414 4.647 -0.233 1 1 54 . 30 1 1 A 8 8 PRO C C 8 176.690 176.130 0.560 1 1 55 . 30 1 1 A 8 8 PRO CA C 8 63.090 62.916 0.174 1 1 56 . 30 1 1 A 8 8 PRO CB C 8 32.290 32.261 0.029 1 1 57 . 30 1 1 A 9 9 GLU H H 9 8.467 8.608 -0.141 1 1 58 . 30 1 1 A 9 9 GLU HA H 9 4.527 4.852 -0.325 1 1 63 . 30 1 1 A 9 9 GLU C C 9 174.680 174.528 0.152 1 1 64 . 30 1 1 A 9 9 GLU CA C 9 54.550 52.542 2.008 1 1 65 . 30 1 1 A 9 9 GLU N N 9 122.910 121.856 1.054 1 1 66 . 30 1 1 A 10 10 PRO HA H 10 4.371 4.701 -0.330 1 1 71 . 30 1 1 A 10 10 PRO C C 10 176.820 176.232 0.588 1 1 72 . 30 1 1 A 10 10 PRO CA C 10 63.300 62.485 0.815 1 1 73 . 30 1 1 A 10 10 PRO CB C 10 32.290 32.199 0.091 1 1 74 . 30 1 1 A 11 11 GLN H H 11 8.543 8.470 0.073 1 1 75 . 30 1 1 A 11 11 GLN HA H 11 4.334 4.671 -0.337 1 1 82 . 30 1 1 A 11 11 GLN C C 11 176.010 174.983 1.027 1 1 83 . 30 1 1 A 11 11 GLN CA C 11 55.710 55.253 0.457 1 1 84 . 30 1 1 A 11 11 GLN CB C 11 29.520 29.955 -0.435 1 1 85 . 30 1 1 A 11 11 GLN N N 11 121.100 120.769 0.331 1 1 87 . 30 1 1 A 12 12 VAL H H 12 8.201 8.357 -0.156 1 1 88 . 30 1 1 A 12 12 VAL HA H 12 4.144 4.661 -0.517 1 1 96 . 30 1 1 A 12 12 VAL C C 12 175.940 174.941 0.999 1 1 97 . 30 1 1 A 12 12 VAL CA C 12 62.110 61.656 0.454 1 1 98 . 30 1 1 A 12 12 VAL CB C 12 32.800 32.611 0.189 1 1 99 . 30 1 1 A 12 12 VAL N N 12 122.070 125.311 -3.241 1 1 100 . 30 1 1 A 13 13 GLU H H 13 8.593 9.017 -0.424 1 1 101 . 30 1 1 A 13 13 GLU HA H 13 4.329 5.008 -0.679 1 1 106 . 30 1 1 A 13 13 GLU C C 13 176.720 175.368 1.352 1 1 107 . 30 1 1 A 13 13 GLU CA C 13 56.830 54.435 2.395 1 1 108 . 30 1 1 A 13 13 GLU CB C 13 30.860 33.452 -2.592 1 1 109 . 30 1 1 A 13 13 GLU N N 13 124.660 128.011 -3.351 1 1 138 . 30 1 1 A 17 17 VAL H H 17 8.458 8.707 -0.249 1 1 139 . 30 1 1 A 17 17 VAL HA H 17 4.183 4.422 -0.239 1 1 147 . 30 1 1 A 17 17 VAL C C 17 175.950 175.234 0.716 1 1 148 . 30 1 1 A 17 17 VAL CA C 17 63.780 61.235 2.545 1 1 149 . 30 1 1 A 17 17 VAL CB C 17 32.460 32.446 0.014 1 1 150 . 30 1 1 A 17 17 VAL N N 17 124.860 127.444 -2.584 1 1 151 . 30 1 1 A 18 18 PHE H H 18 8.579 8.662 -0.083 1 1 152 . 30 1 1 A 18 18 PHE HA H 18 4.650 4.951 -0.301 1 1 160 . 30 1 1 A 18 18 PHE C C 18 173.450 175.167 -1.717 1 1 161 . 30 1 1 A 18 18 PHE CA C 18 57.480 57.080 0.400 1 1 162 . 30 1 1 A 18 18 PHE CB C 18 41.950 40.737 1.213 1 1 163 . 30 1 1 A 18 18 PHE N N 18 127.160 126.387 0.773 1 1 164 . 30 1 1 A 19 19 ARG H H 19 7.920 8.908 -0.988 1 1 165 . 30 1 1 A 19 19 ARG HA H 19 4.196 4.648 -0.452 1 1 170 . 30 1 1 A 19 19 ARG C C 19 174.930 175.000 -0.070 1 1 171 . 30 1 1 A 19 19 ARG CA C 19 54.800 55.368 -0.568 1 1 172 . 30 1 1 A 19 19 ARG CB C 19 30.610 30.192 0.418 1 1 173 . 30 1 1 A 19 19 ARG N N 19 127.500 122.948 4.552 1 1 174 . 30 1 1 A 20 20 ALA H H 20 8.067 8.549 -0.482 1 1 175 . 30 1 1 A 20 20 ALA HA H 20 3.729 4.818 -1.089 1 1 179 . 30 1 1 A 20 20 ALA C C 20 177.630 177.118 0.512 1 1 180 . 30 1 1 A 20 20 ALA CA C 20 53.280 50.719 2.561 1 1 181 . 30 1 1 A 20 20 ALA CB C 20 18.860 21.880 -3.020 1 1 182 . 30 1 1 A 20 20 ALA N N 20 126.460 127.589 -1.129 1 1 183 . 30 1 1 A 21 21 ASP H H 21 8.355 8.891 -0.536 1 1 184 . 30 1 1 A 21 21 ASP HA H 21 4.350 4.704 -0.354 1 1 187 . 30 1 1 A 21 21 ASP C C 21 176.720 177.424 -0.704 1 1 188 . 30 1 1 A 21 21 ASP CA C 21 54.480 54.877 -0.397 1 1 189 . 30 1 1 A 21 21 ASP CB C 21 40.350 41.015 -0.665 1 1 190 . 30 1 1 A 21 21 ASP N N 21 117.850 120.656 -2.806 1 1 191 . 30 1 1 A 22 22 LEU H H 22 7.705 7.890 -0.185 1 1 192 . 30 1 1 A 22 22 LEU HA H 22 4.088 4.136 -0.048 1 1 202 . 30 1 1 A 22 22 LEU C C 22 177.760 177.991 -0.231 1 1 203 . 30 1 1 A 22 22 LEU CA C 22 55.780 57.355 -1.575 1 1 204 . 30 1 1 A 22 22 LEU CB C 22 41.860 41.653 0.207 1 1 205 . 30 1 1 A 22 22 LEU N N 22 121.600 117.848 3.752 1 1 206 . 30 1 1 A 23 23 LEU H H 23 7.717 7.985 -0.268 1 1 207 . 30 1 1 A 23 23 LEU HA H 23 4.166 4.079 0.087 1 1 217 . 30 1 1 A 23 23 LEU C C 23 177.840 178.397 -0.557 1 1 218 . 30 1 1 A 23 23 LEU CA C 23 55.960 57.557 -1.597 1 1 219 . 30 1 1 A 23 23 LEU CB C 23 41.950 41.383 0.567 1 1 220 . 30 1 1 A 23 23 LEU N N 23 120.360 119.552 0.808 1 1 221 . 30 1 1 A 24 24 LYS H H 24 7.933 8.390 -0.457 1 1 222 . 30 1 1 A 24 24 LYS HA H 24 4.174 4.096 0.078 1 1 229 . 30 1 1 A 24 24 LYS C C 24 177.190 178.889 -1.699 1 1 230 . 30 1 1 A 24 24 LYS CA C 24 57.050 59.333 -2.283 1 1 231 . 30 1 1 A 24 24 LYS CB C 24 32.880 32.811 0.069 1 1 232 . 30 1 1 A 24 24 LYS N N 24 121.120 118.549 2.571 1 1 233 . 30 1 1 A 25 25 GLU H H 25 8.160 7.937 0.223 1 1 234 . 30 1 1 A 25 25 GLU HA H 25 4.199 4.012 0.187 1 1 239 . 30 1 1 A 25 25 GLU C C 25 176.900 179.002 -2.102 1 1 240 . 30 1 1 A 25 25 GLU CA C 25 57.010 59.669 -2.659 1 1 241 . 30 1 1 A 25 25 GLU CB C 25 30.280 29.058 1.222 1 1 242 . 30 1 1 A 25 25 GLU N N 25 121.550 120.604 0.946 1 1 243 . 30 1 1 A 26 26 MET H H 26 8.270 8.246 0.024 1 1 244 . 30 1 1 A 26 26 MET HA H 26 4.360 4.134 0.226 1 1 252 . 30 1 1 A 26 26 MET C C 26 176.440 178.179 -1.739 1 1 253 . 30 1 1 A 26 26 MET CA C 26 56.180 58.762 -2.582 1 1 254 . 30 1 1 A 26 26 MET CB C 26 33.050 32.033 1.017 1 1 255 . 30 1 1 A 26 26 MET N N 26 120.730 120.044 0.686 1 1 256 . 30 1 1 A 27 27 GLU H H 27 8.297 7.914 0.383 1 1 257 . 30 1 1 A 27 27 GLU HA H 27 4.264 4.099 0.165 1 1 262 . 30 1 1 A 27 27 GLU C C 27 176.650 179.012 -2.362 1 1 263 . 30 1 1 A 27 27 GLU CA C 27 56.830 59.477 -2.647 1 1 264 . 30 1 1 A 27 27 GLU CB C 27 30.530 29.301 1.229 1 1 265 . 30 1 1 A 27 27 GLU N N 27 121.650 120.198 1.452 1 1 266 . 30 1 1 A 28 28 SER H H 28 8.279 7.883 0.396 1 1 267 . 30 1 1 A 28 28 SER HA H 28 4.473 4.208 0.265 1 1 270 . 30 1 1 A 28 28 SER C C 28 174.760 176.334 -1.574 1 1 271 . 30 1 1 A 28 28 SER CA C 28 58.460 61.843 -3.383 1 1 272 . 30 1 1 A 28 28 SER CB C 28 64.190 63.003 1.187 1 1 273 . 30 1 1 A 28 28 SER N N 28 116.610 117.616 -1.006 1 1 274 . 30 1 1 A 29 29 SER H H 29 8.443 7.700 0.743 1 1 275 . 30 1 1 A 29 29 SER HA H 29 4.541 4.395 0.146 1 1 278 . 30 1 1 A 29 29 SER C C 29 174.950 174.866 0.084 1 1 279 . 30 1 1 A 29 29 SER CA C 29 58.530 59.130 -0.600 1 1 280 . 30 1 1 A 29 29 SER CB C 29 64.190 63.655 0.535 1 1 281 . 30 1 1 A 29 29 SER N N 29 118.290 113.446 4.844 1 1 282 . 30 1 1 A 30 30 THR H H 30 8.220 7.389 0.831 1 1 283 . 30 1 1 A 30 30 THR HA H 30 4.372 4.081 0.291 1 1 288 . 30 1 1 A 30 30 THR C C 30 175.280 175.863 -0.583 1 1 289 . 30 1 1 A 30 30 THR CA C 30 62.260 65.084 -2.824 1 1 290 . 30 1 1 A 30 30 THR CB C 30 69.900 68.408 1.492 1 1 291 . 30 1 1 A 30 30 THR N N 30 115.600 118.097 -2.497 1 1 292 . 30 1 1 A 31 31 GLY H H 31 8.401 8.913 -0.512 1 1 293 . 30 1 1 A 31 31 GLY HA2 H 31 4.005 3.990 0.015 1 1 294 . 30 1 1 A 31 31 GLY HA3 H 31 4.005 3.991 0.014 1 1 295 . 30 1 1 A 31 31 GLY C C 31 174.160 174.129 0.031 1 1 296 . 30 1 1 A 31 31 GLY CA C 31 45.470 45.240 0.230 1 1 297 . 30 1 1 A 31 31 GLY N N 31 111.270 114.636 -3.366 1 1 298 . 30 1 1 A 32 32 THR H H 32 8.034 7.800 0.234 1 1 299 . 30 1 1 A 32 32 THR HA H 32 4.319 4.673 -0.354 1 1 304 . 30 1 1 A 32 32 THR C C 32 174.130 174.005 0.125 1 1 305 . 30 1 1 A 32 32 THR CA C 32 61.710 61.085 0.625 1 1 306 . 30 1 1 A 32 32 THR CB C 32 70.150 71.021 -0.871 1 1 307 . 30 1 1 A 32 32 THR N N 32 113.770 115.177 -1.407 1 1 308 . 30 1 1 A 33 33 ALA H H 33 8.410 8.596 -0.186 1 1 309 . 30 1 1 A 33 33 ALA HA H 33 4.581 4.550 0.031 1 1 313 . 30 1 1 A 33 33 ALA C C 33 175.490 175.702 -0.212 1 1 314 . 30 1 1 A 33 33 ALA CA C 33 50.680 50.816 -0.136 1 1 315 . 30 1 1 A 33 33 ALA N N 33 128.320 129.729 -1.409 1 1 316 . 30 1 1 A 34 34 PRO HA H 34 4.389 5.027 -0.638 1 1 321 . 30 1 1 A 34 34 PRO C C 34 176.650 175.783 0.867 1 1 322 . 30 1 1 A 34 34 PRO CA C 34 63.090 62.643 0.447 1 1 323 . 30 1 1 A 34 34 PRO CB C 34 32.210 32.151 0.059 1 1 324 . 30 1 1 A 35 35 ALA H H 35 8.433 8.699 -0.266 1 1 325 . 30 1 1 A 35 35 ALA HA H 35 4.275 4.986 -0.711 1 1 329 . 30 1 1 A 35 35 ALA C C 35 177.730 176.640 1.090 1 1 330 . 30 1 1 A 35 35 ALA CA C 35 52.590 50.804 1.786 1 1 331 . 30 1 1 A 35 35 ALA CB C 35 19.450 21.116 -1.666 1 1 332 . 30 1 1 A 35 35 ALA N N 35 124.330 124.292 0.038 1 1 333 . 30 1 1 A 36 36 SER H H 36 8.259 9.057 -0.798 1 1 334 . 30 1 1 A 36 36 SER HA H 36 4.474 5.631 -1.157 1 1 337 . 30 1 1 A 36 36 SER C C 36 174.860 173.726 1.134 1 1 338 . 30 1 1 A 36 36 SER CA C 36 58.130 57.866 0.264 1 1 339 . 30 1 1 A 36 36 SER CB C 36 64.190 67.191 -3.001 1 1 340 . 30 1 1 A 36 36 SER N N 36 114.560 117.925 -3.365 1 1 341 . 30 1 1 A 37 37 THR H H 37 8.325 8.842 -0.517 1 1 342 . 30 1 1 A 37 37 THR HA H 37 4.281 4.555 -0.274 1 1 346 . 30 1 1 A 37 37 THR C C 37 175.110 174.651 0.459 1 1 347 . 30 1 1 A 37 37 THR CA C 37 62.260 61.812 0.448 1 1 348 . 30 1 1 A 37 37 THR CB C 37 70.150 70.258 -0.108 1 1 349 . 30 1 1 A 37 37 THR N N 37 115.300 118.800 -3.500 1 1 350 . 30 1 1 A 38 38 GLY H H 38 8.511 7.350 1.161 1 1 351 . 30 1 1 A 38 38 GLY HA2 H 38 3.975 4.076 -0.101 1 1 352 . 30 1 1 A 38 38 GLY HA3 H 38 3.809 4.082 -0.273 1 1 353 . 30 1 1 A 38 38 GLY C C 38 174.470 174.547 -0.077 1 1 354 . 30 1 1 A 38 38 GLY CA C 38 45.470 45.621 -0.151 1 1 355 . 30 1 1 A 38 38 GLY N N 38 110.440 108.546 1.894 1 1 356 . 30 1 1 A 39 39 ALA H H 39 8.245 8.487 -0.242 1 1 357 . 30 1 1 A 39 39 ALA HA H 39 4.164 3.991 0.173 1 1 361 . 30 1 1 A 39 39 ALA C C 39 177.590 178.433 -0.843 1 1 362 . 30 1 1 A 39 39 ALA CA C 39 52.560 55.163 -2.603 1 1 363 . 30 1 1 A 39 39 ALA CB C 39 19.360 18.913 0.447 1 1 364 . 30 1 1 A 39 39 ALA N N 39 124.080 122.658 1.422 1 1 365 . 30 1 1 A 40 40 GLU H H 40 8.721 8.272 0.449 1 1 366 . 30 1 1 A 40 40 GLU HA H 40 4.083 4.369 -0.286 1 1 371 . 30 1 1 A 40 40 GLU C C 40 176.320 177.322 -1.002 1 1 372 . 30 1 1 A 40 40 GLU CA C 40 57.910 56.539 1.371 1 1 373 . 30 1 1 A 40 40 GLU CB C 40 29.520 29.670 -0.150 1 1 374 . 30 1 1 A 40 40 GLU N N 40 118.270 114.923 3.347 1 1 375 . 30 1 1 A 41 41 ASN H H 41 8.226 7.759 0.467 1 1 376 . 30 1 1 A 41 41 ASN HA H 41 4.716 4.767 -0.051 1 1 381 . 30 1 1 A 41 41 ASN C C 41 174.800 175.095 -0.295 1 1 382 . 30 1 1 A 41 41 ASN CA C 41 52.880 54.896 -2.016 1 1 383 . 30 1 1 A 41 41 ASN CB C 41 38.840 39.007 -0.167 1 1 384 . 30 1 1 A 41 41 ASN N N 41 117.620 116.884 0.736 1 1 386 . 30 1 1 A 42 42 LEU H H 42 7.629 7.602 0.027 1 1 387 . 30 1 1 A 42 42 LEU HA H 42 4.418 3.974 0.444 1 1 397 . 30 1 1 A 42 42 LEU C C 42 174.610 176.703 -2.093 1 1 398 . 30 1 1 A 42 42 LEU CA C 42 53.170 55.844 -2.674 1 1 399 . 30 1 1 A 42 42 LEU N N 42 123.010 116.625 6.385 1 1 400 . 30 1 1 A 43 43 PRO HA H 43 4.366 4.313 0.053 1 1 407 . 30 1 1 A 43 43 PRO C C 43 177.050 178.717 -1.667 1 1 408 . 30 1 1 A 43 43 PRO CA C 43 62.260 66.477 -4.217 1 1 409 . 30 1 1 A 43 43 PRO CB C 43 32.380 31.158 1.222 1 1 410 . 30 1 1 A 44 44 ALA H H 44 8.552 7.619 0.933 1 1 411 . 30 1 1 A 44 44 ALA HA H 44 4.223 4.309 -0.086 1 1 415 . 30 1 1 A 44 44 ALA C C 44 179.500 177.930 1.570 1 1 416 . 30 1 1 A 44 44 ALA CA C 44 53.250 52.098 1.152 1 1 417 . 30 1 1 A 44 44 ALA CB C 44 18.190 19.487 -1.297 1 1 418 . 30 1 1 A 44 44 ALA N N 44 125.070 118.644 6.426 1 1 419 . 30 1 1 A 45 45 GLY H H 45 8.897 8.580 0.317 1 1 420 . 30 1 1 A 45 45 GLY HA2 H 45 4.214 3.963 0.251 1 1 421 . 30 1 1 A 45 45 GLY HA3 H 45 3.833 4.029 -0.196 1 1 422 . 30 1 1 A 45 45 GLY C C 45 173.720 173.635 0.085 1 1 423 . 30 1 1 A 45 45 GLY CA C 45 45.790 45.496 0.294 1 1 424 . 30 1 1 A 45 45 GLY N N 45 110.600 108.836 1.764 1 1 425 . 30 1 1 A 46 46 SER H H 46 7.690 7.931 -0.241 1 1 426 . 30 1 1 A 46 46 SER HA H 46 5.338 5.156 0.182 1 1 429 . 30 1 1 A 46 46 SER C C 46 172.990 173.375 -0.385 1 1 430 . 30 1 1 A 46 46 SER CA C 46 57.810 57.720 0.090 1 1 431 . 30 1 1 A 46 46 SER CB C 46 66.960 66.060 0.900 1 1 432 . 30 1 1 A 46 46 SER N N 46 114.180 117.641 -3.461 1 1 433 . 30 1 1 A 47 47 ALA H H 47 8.435 8.951 -0.516 1 1 434 . 30 1 1 A 47 47 ALA HA H 47 4.338 4.787 -0.449 1 1 438 . 30 1 1 A 47 47 ALA C C 47 173.840 175.928 -2.088 1 1 439 . 30 1 1 A 47 47 ALA CA C 47 51.690 51.459 0.231 1 1 440 . 30 1 1 A 47 47 ALA CB C 47 24.570 23.305 1.265 1 1 441 . 30 1 1 A 47 47 ALA N N 47 120.900 123.591 -2.691 1 1 442 . 30 1 1 A 48 48 LEU H H 48 8.673 8.695 -0.022 1 1 443 . 30 1 1 A 48 48 LEU HA H 48 5.021 5.471 -0.450 1 1 453 . 30 1 1 A 48 48 LEU C C 48 174.680 174.966 -0.286 1 1 454 . 30 1 1 A 48 48 LEU CA C 48 53.350 52.688 0.662 1 1 455 . 30 1 1 A 48 48 LEU CB C 48 48.150 46.185 1.965 1 1 456 . 30 1 1 A 48 48 LEU N N 48 120.170 116.077 4.093 1 1 457 . 30 1 1 A 49 49 LEU H H 49 8.686 9.121 -0.435 1 1 458 . 30 1 1 A 49 49 LEU HA H 49 5.403 5.352 0.051 1 1 468 . 30 1 1 A 49 49 LEU C C 49 176.170 174.747 1.423 1 1 469 . 30 1 1 A 49 49 LEU CA C 49 52.810 53.199 -0.389 1 1 470 . 30 1 1 A 49 49 LEU CB C 49 46.310 45.391 0.919 1 1 471 . 30 1 1 A 49 49 LEU N N 49 120.170 116.586 3.584 1 1 472 . 30 1 1 A 50 50 VAL H H 50 8.874 9.288 -0.414 1 1 473 . 30 1 1 A 50 50 VAL HA H 50 4.971 5.145 -0.174 1 1 481 . 30 1 1 A 50 50 VAL C C 50 176.740 174.384 2.356 1 1 482 . 30 1 1 A 50 50 VAL CA C 50 59.940 59.833 0.107 1 1 483 . 30 1 1 A 50 50 VAL CB C 50 34.970 34.225 0.745 1 1 484 . 30 1 1 A 50 50 VAL N N 50 120.580 121.662 -1.082 1 1 485 . 30 1 1 A 51 51 VAL H H 51 8.984 9.358 -0.374 1 1 486 . 30 1 1 A 51 51 VAL HA H 51 4.155 4.053 0.102 1 1 494 . 30 1 1 A 51 51 VAL C C 51 176.050 175.827 0.223 1 1 495 . 30 1 1 A 51 51 VAL CA C 51 64.280 63.238 1.042 1 1 496 . 30 1 1 A 51 51 VAL CB C 51 31.280 31.295 -0.015 1 1 497 . 30 1 1 A 51 51 VAL N N 51 125.710 128.416 -2.706 1 1 498 . 30 1 1 A 52 52 LYS H H 52 9.444 9.001 0.443 1 1 499 . 30 1 1 A 52 52 LYS HA H 52 4.450 4.418 0.032 1 1 506 . 30 1 1 A 52 52 LYS C C 52 176.150 176.651 -0.501 1 1 507 . 30 1 1 A 52 52 LYS CA C 52 57.050 57.046 0.004 1 1 508 . 30 1 1 A 52 52 LYS CB C 52 34.470 33.539 0.931 1 1 509 . 30 1 1 A 52 52 LYS N N 52 132.750 127.460 5.290 1 1 510 . 30 1 1 A 53 53 ARG H H 53 8.051 7.537 0.514 1 1 511 . 30 1 1 A 53 53 ARG HA H 53 4.685 4.822 -0.137 1 1 516 . 30 1 1 A 53 53 ARG C C 53 173.470 174.777 -1.307 1 1 517 . 30 1 1 A 53 53 ARG CA C 53 55.090 55.275 -0.185 1 1 518 . 30 1 1 A 53 53 ARG CB C 53 34.300 34.162 0.138 1 1 519 . 30 1 1 A 53 53 ARG N N 53 117.320 118.650 -1.330 1 1 520 . 30 1 1 A 54 54 GLY H H 54 8.377 8.346 0.031 1 1 521 . 30 1 1 A 54 54 GLY HA2 H 54 4.215 3.803 0.412 1 1 522 . 30 1 1 A 54 54 GLY HA3 H 54 3.503 3.900 -0.397 1 1 523 . 30 1 1 A 54 54 GLY C C 54 171.870 174.390 -2.520 1 1 524 . 30 1 1 A 54 54 GLY CA C 54 43.770 44.041 -0.271 1 1 525 . 30 1 1 A 54 54 GLY N N 54 110.960 112.072 -1.112 1 1 526 . 30 1 1 A 55 55 PRO HA H 55 4.255 4.283 -0.028 1 1 531 . 30 1 1 A 55 55 PRO C C 55 175.940 177.236 -1.296 1 1 532 . 30 1 1 A 55 55 PRO CA C 55 64.390 64.698 -0.308 1 1 533 . 30 1 1 A 55 55 PRO CB C 55 31.360 31.824 -0.464 1 1 534 . 30 1 1 A 56 56 ASN H H 56 8.202 8.013 0.189 1 1 535 . 30 1 1 A 56 56 ASN HA H 56 4.685 4.923 -0.238 1 1 540 . 30 1 1 A 56 56 ASN C C 56 174.410 174.666 -0.256 1 1 541 . 30 1 1 A 56 56 ASN CA C 56 52.120 52.602 -0.482 1 1 542 . 30 1 1 A 56 56 ASN CB C 56 37.070 38.839 -1.769 1 1 543 . 30 1 1 A 56 56 ASN N N 56 114.760 114.999 -0.239 1 1 545 . 30 1 1 A 57 57 ALA H H 57 7.283 7.535 -0.252 1 1 546 . 30 1 1 A 57 57 ALA HA H 57 3.618 4.112 -0.494 1 1 550 . 30 1 1 A 57 57 ALA C C 57 178.090 178.300 -0.210 1 1 551 . 30 1 1 A 57 57 ALA CA C 57 54.480 53.887 0.593 1 1 552 . 30 1 1 A 57 57 ALA CB C 57 17.760 18.364 -0.604 1 1 553 . 30 1 1 A 57 57 ALA N N 57 120.380 122.336 -1.956 1 1 554 . 30 1 1 A 58 58 GLY H H 58 9.052 9.254 -0.202 1 1 555 . 30 1 1 A 58 58 GLY HA2 H 58 4.449 3.994 0.455 1 1 556 . 30 1 1 A 58 58 GLY HA3 H 58 3.415 3.995 -0.580 1 1 557 . 30 1 1 A 58 58 GLY C C 58 174.610 174.386 0.224 1 1 558 . 30 1 1 A 58 58 GLY CA C 58 44.530 45.001 -0.471 1 1 559 . 30 1 1 A 58 58 GLY N N 58 112.180 110.695 1.485 1 1 560 . 30 1 1 A 59 59 ALA H H 59 8.171 7.639 0.532 1 1 561 . 30 1 1 A 59 59 ALA HA H 59 4.081 4.408 -0.327 1 1 565 . 30 1 1 A 59 59 ALA C C 59 175.220 176.622 -1.402 1 1 566 . 30 1 1 A 59 59 ALA CA C 59 53.170 51.521 1.649 1 1 567 . 30 1 1 A 59 59 ALA CB C 59 19.360 20.051 -0.691 1 1 568 . 30 1 1 A 59 59 ALA N N 59 124.650 123.556 1.094 1 1 569 . 30 1 1 A 60 60 ARG H H 60 7.751 8.823 -1.072 1 1 570 . 30 1 1 A 60 60 ARG HA H 60 5.105 5.246 -0.141 1 1 575 . 30 1 1 A 60 60 ARG C C 60 175.320 174.474 0.846 1 1 576 . 30 1 1 A 60 60 ARG CA C 60 54.150 54.058 0.092 1 1 577 . 30 1 1 A 60 60 ARG CB C 60 34.130 33.792 0.338 1 1 578 . 30 1 1 A 60 60 ARG N N 60 116.920 118.064 -1.144 1 1 579 . 30 1 1 A 61 61 PHE H H 61 9.213 9.146 0.067 1 1 580 . 30 1 1 A 61 61 PHE HA H 61 4.788 5.013 -0.225 1 1 587 . 30 1 1 A 61 61 PHE C C 61 173.930 174.440 -0.510 1 1 588 . 30 1 1 A 61 61 PHE CA C 61 56.500 56.677 -0.177 1 1 589 . 30 1 1 A 61 61 PHE CB C 61 41.860 43.333 -1.473 1 1 590 . 30 1 1 A 61 61 PHE N N 61 121.090 119.232 1.858 1 1 591 . 30 1 1 A 62 62 LEU H H 62 8.638 9.135 -0.497 1 1 592 . 30 1 1 A 62 62 LEU HA H 62 4.566 5.132 -0.566 1 1 602 . 30 1 1 A 62 62 LEU C C 62 176.570 175.416 1.154 1 1 603 . 30 1 1 A 62 62 LEU CA C 62 55.130 53.127 2.003 1 1 604 . 30 1 1 A 62 62 LEU CB C 62 43.620 44.632 -1.012 1 1 605 . 30 1 1 A 62 62 LEU N N 62 125.630 119.618 6.012 1 1 606 . 30 1 1 A 63 63 LEU H H 63 8.929 9.248 -0.319 1 1 607 . 30 1 1 A 63 63 LEU HA H 63 4.852 4.692 0.160 1 1 617 . 30 1 1 A 63 63 LEU C C 63 175.070 176.453 -1.383 1 1 618 . 30 1 1 A 63 63 LEU CA C 63 53.170 54.642 -1.472 1 1 619 . 30 1 1 A 63 63 LEU CB C 63 42.110 41.798 0.312 1 1 620 . 30 1 1 A 63 63 LEU N N 63 125.980 125.172 0.808 1 1 621 . 30 1 1 A 64 64 ASP H H 64 8.601 9.074 -0.473 1 1 622 . 30 1 1 A 64 64 ASP HA H 64 4.736 4.899 -0.163 1 1 625 . 30 1 1 A 64 64 ASP C C 64 175.130 175.632 -0.502 1 1 626 . 30 1 1 A 64 64 ASP CA C 64 53.640 53.779 -0.139 1 1 627 . 30 1 1 A 64 64 ASP CB C 64 41.020 43.215 -2.195 1 1 628 . 30 1 1 A 64 64 ASP N N 64 120.910 125.754 -4.844 1 1 629 . 30 1 1 A 65 65 GLN H H 65 7.497 7.545 -0.048 1 1 630 . 30 1 1 A 65 65 GLN HA H 65 4.856 4.731 0.125 1 1 637 . 30 1 1 A 65 65 GLN C C 65 173.550 175.615 -2.065 1 1 638 . 30 1 1 A 65 65 GLN CA C 65 52.780 53.540 -0.760 1 1 639 . 30 1 1 A 65 65 GLN N N 65 117.420 115.621 1.799 1 1 641 . 30 1 1 A 66 66 PRO HA H 66 4.190 4.379 -0.189 1 1 648 . 30 1 1 A 66 66 PRO C C 66 177.400 176.781 0.619 1 1 649 . 30 1 1 A 66 66 PRO CA C 66 66.810 64.893 1.917 1 1 650 . 30 1 1 A 66 66 PRO CB C 66 32.370 31.936 0.434 1 1 651 . 30 1 1 A 67 67 THR H H 67 7.647 7.529 0.118 1 1 652 . 30 1 1 A 67 67 THR HA H 67 4.811 5.054 -0.243 1 1 657 . 30 1 1 A 67 67 THR C C 67 173.280 173.114 0.166 1 1 658 . 30 1 1 A 67 67 THR CA C 67 62.830 61.258 1.572 1 1 659 . 30 1 1 A 67 67 THR CB C 67 71.740 71.529 0.211 1 1 660 . 30 1 1 A 67 67 THR N N 67 109.270 112.093 -2.823 1 1 661 . 30 1 1 A 68 68 THR H H 68 8.919 9.404 -0.485 1 1 662 . 30 1 1 A 68 68 THR HA H 68 4.968 5.139 -0.171 1 1 667 . 30 1 1 A 68 68 THR C C 68 175.090 173.653 1.437 1 1 668 . 30 1 1 A 68 68 THR CA C 68 61.820 61.752 0.068 1 1 669 . 30 1 1 A 68 68 THR CB C 68 70.730 71.244 -0.514 1 1 670 . 30 1 1 A 68 68 THR N N 68 125.610 123.780 1.830 1 1 671 . 30 1 1 A 69 69 THR H H 69 10.398 9.030 1.368 1 1 672 . 30 1 1 A 69 69 THR HA H 69 4.491 5.153 -0.662 1 1 677 . 30 1 1 A 69 69 THR C C 69 173.140 173.663 -0.523 1 1 678 . 30 1 1 A 69 69 THR CA C 69 61.790 61.090 0.700 1 1 679 . 30 1 1 A 69 69 THR CB C 69 70.820 71.384 -0.564 1 1 680 . 30 1 1 A 69 69 THR N N 69 121.520 121.970 -0.450 1 1 681 . 30 1 1 A 70 70 ALA H H 70 8.722 9.225 -0.503 1 1 682 . 30 1 1 A 70 70 ALA HA H 70 5.696 5.771 -0.075 1 1 686 . 30 1 1 A 70 70 ALA C C 70 175.840 176.048 -0.208 1 1 687 . 30 1 1 A 70 70 ALA CA C 70 50.030 50.473 -0.443 1 1 688 . 30 1 1 A 70 70 ALA CB C 70 22.300 22.671 -0.371 1 1 689 . 30 1 1 A 70 70 ALA N N 70 122.410 127.107 -4.697 1 1 690 . 30 1 1 A 71 71 GLY H H 71 8.430 8.035 0.395 1 1 691 . 30 1 1 A 71 71 GLY HA2 H 71 4.474 4.226 0.248 1 1 692 . 30 1 1 A 71 71 GLY HA3 H 71 3.903 4.316 -0.413 1 1 693 . 30 1 1 A 71 71 GLY C C 71 170.540 171.185 -0.645 1 1 694 . 30 1 1 A 71 71 GLY CA C 71 46.300 45.197 1.103 1 1 695 . 30 1 1 A 71 71 GLY N N 71 108.960 107.978 0.982 1 1 696 . 30 1 1 A 72 72 ARG H H 72 8.341 8.665 -0.324 1 1 697 . 30 1 1 A 72 72 ARG HA H 72 4.481 5.206 -0.725 1 1 702 . 30 1 1 A 72 72 ARG C C 72 175.720 175.019 0.701 1 1 703 . 30 1 1 A 72 72 ARG CA C 72 54.800 55.283 -0.483 1 1 704 . 30 1 1 A 72 72 ARG CB C 72 32.540 33.031 -0.491 1 1 705 . 30 1 1 A 72 72 ARG N N 72 120.930 122.133 -1.203 1 1 706 . 30 1 1 A 73 73 HIS H H 73 9.295 8.877 0.418 1 1 707 . 30 1 1 A 73 73 HIS HA H 73 4.403 5.150 -0.747 1 1 712 . 30 1 1 A 73 73 HIS C C 73 176.860 174.519 2.341 1 1 713 . 30 1 1 A 73 73 HIS CA C 73 57.050 54.301 2.749 1 1 714 . 30 1 1 A 73 73 HIS N N 73 125.290 121.434 3.856 1 1 715 . 30 1 1 A 74 74 PRO HA H 74 4.373 4.300 0.073 1 1 722 . 30 1 1 A 74 74 PRO C C 74 177.590 177.499 0.091 1 1 723 . 30 1 1 A 74 74 PRO CA C 74 64.930 65.058 -0.128 1 1 724 . 30 1 1 A 74 74 PRO CB C 74 32.030 31.983 0.047 1 1 725 . 30 1 1 A 75 75 GLU H H 75 10.575 8.647 1.928 1 1 726 . 30 1 1 A 75 75 GLU HA H 75 4.352 4.335 0.017 1 1 731 . 30 1 1 A 75 75 GLU C C 75 177.320 176.728 0.592 1 1 732 . 30 1 1 A 75 75 GLU CA C 75 56.070 57.005 -0.935 1 1 733 . 30 1 1 A 75 75 GLU CB C 75 29.010 30.267 -1.257 1 1 734 . 30 1 1 A 75 75 GLU N N 75 119.840 117.557 2.283 1 1 735 . 30 1 1 A 76 76 SER H H 76 8.236 7.046 1.190 1 1 736 . 30 1 1 A 76 76 SER HA H 76 4.100 4.230 -0.130 1 1 739 . 30 1 1 A 76 76 SER C C 76 173.120 173.983 -0.863 1 1 740 . 30 1 1 A 76 76 SER CA C 76 60.160 59.669 0.491 1 1 741 . 30 1 1 A 76 76 SER CB C 76 65.530 62.742 2.788 1 1 742 . 30 1 1 A 76 76 SER N N 76 118.860 116.255 2.605 1 1 743 . 30 1 1 A 77 77 ASP H H 77 8.541 8.937 -0.396 1 1 744 . 30 1 1 A 77 77 ASP HA H 77 4.344 4.468 -0.124 1 1 747 . 30 1 1 A 77 77 ASP C C 77 177.590 175.739 1.851 1 1 748 . 30 1 1 A 77 77 ASP CA C 77 58.380 56.163 2.217 1 1 749 . 30 1 1 A 77 77 ASP CB C 77 42.110 41.237 0.873 1 1 750 . 30 1 1 A 77 77 ASP N N 77 126.720 126.080 0.640 1 1 751 . 30 1 1 A 78 78 ILE H H 78 8.571 7.459 1.112 1 1 752 . 30 1 1 A 78 78 ILE HA H 78 3.563 3.214 0.349 1 1 762 . 30 1 1 A 78 78 ILE C C 78 172.930 174.182 -1.252 1 1 763 . 30 1 1 A 78 78 ILE CA C 78 60.880 59.727 1.153 1 1 764 . 30 1 1 A 78 78 ILE CB C 78 37.410 37.499 -0.089 1 1 765 . 30 1 1 A 78 78 ILE N N 78 120.210 118.766 1.444 1 1 766 . 30 1 1 A 79 79 PHE H H 79 8.018 8.667 -0.649 1 1 767 . 30 1 1 A 79 79 PHE HA H 79 5.018 5.193 -0.175 1 1 775 . 30 1 1 A 79 79 PHE C C 79 174.130 173.806 0.324 1 1 776 . 30 1 1 A 79 79 PHE CA C 79 55.780 55.948 -0.168 1 1 777 . 30 1 1 A 79 79 PHE CB C 79 39.170 41.033 -1.863 1 1 778 . 30 1 1 A 79 79 PHE N N 79 127.300 128.859 -1.559 1 1 779 . 30 1 1 A 80 80 LEU H H 80 7.695 8.645 -0.950 1 1 780 . 30 1 1 A 80 80 LEU HA H 80 3.619 5.086 -1.467 1 1 790 . 30 1 1 A 80 80 LEU C C 80 173.720 174.626 -0.906 1 1 791 . 30 1 1 A 80 80 LEU CA C 80 52.340 53.595 -1.255 1 1 792 . 30 1 1 A 80 80 LEU CB C 80 41.770 44.068 -2.298 1 1 793 . 30 1 1 A 80 80 LEU N N 80 131.810 128.217 3.593 1 1 794 . 30 1 1 A 81 81 ASP H H 81 7.974 8.875 -0.901 1 1 795 . 30 1 1 A 81 81 ASP HA H 81 4.141 5.486 -1.345 1 1 798 . 30 1 1 A 81 81 ASP C C 81 175.130 174.092 1.038 1 1 799 . 30 1 1 A 81 81 ASP CA C 81 53.210 52.854 0.356 1 1 800 . 30 1 1 A 81 81 ASP CB C 81 39.930 44.660 -4.730 1 1 801 . 30 1 1 A 81 81 ASP N N 81 121.130 125.982 -4.852 1 1 802 . 30 1 1 A 82 82 ASP H H 82 7.583 8.687 -1.104 1 1 803 . 30 1 1 A 82 82 ASP HA H 82 4.859 5.060 -0.201 1 1 806 . 30 1 1 A 82 82 ASP C C 82 176.760 175.717 1.043 1 1 807 . 30 1 1 A 82 82 ASP CA C 82 54.980 52.671 2.309 1 1 808 . 30 1 1 A 82 82 ASP CB C 82 39.170 44.781 -5.611 1 1 809 . 30 1 1 A 82 82 ASP N N 82 121.540 124.321 -2.781 1 1 810 . 30 1 1 A 83 83 VAL H H 83 8.344 8.922 -0.578 1 1 811 . 30 1 1 A 83 83 VAL HA H 83 4.012 3.756 0.256 1 1 819 . 30 1 1 A 83 83 VAL C C 83 174.860 176.892 -2.032 1 1 820 . 30 1 1 A 83 83 VAL CA C 83 65.330 65.987 -0.657 1 1 821 . 30 1 1 A 83 83 VAL CB C 83 31.530 31.743 -0.213 1 1 822 . 30 1 1 A 83 83 VAL N N 83 122.260 121.522 0.738 1 1 823 . 30 1 1 A 84 84 THR H H 84 8.268 8.187 0.081 1 1 824 . 30 1 1 A 84 84 THR HA H 84 4.540 4.370 0.170 1 1 828 . 30 1 1 A 84 84 THR C C 84 175.360 173.927 1.433 1 1 829 . 30 1 1 A 84 84 THR CA C 84 63.810 63.404 0.406 1 1 830 . 30 1 1 A 84 84 THR CB C 84 70.900 69.215 1.685 1 1 831 . 30 1 1 A 84 84 THR N N 84 110.620 115.894 -5.274 1 1 832 . 30 1 1 A 85 85 VAL H H 85 8.579 8.571 0.008 1 1 833 . 30 1 1 A 85 85 VAL HA H 85 4.254 4.248 0.006 1 1 841 . 30 1 1 A 85 85 VAL C C 85 177.070 175.157 1.913 1 1 842 . 30 1 1 A 85 85 VAL CA C 85 61.930 62.968 -1.038 1 1 843 . 30 1 1 A 85 85 VAL CB C 85 32.450 31.549 0.901 1 1 844 . 30 1 1 A 85 85 VAL N N 85 126.860 128.540 -1.680 1 1 845 . 30 1 1 A 86 86 SER H H 86 11.668 8.959 2.709 1 1 846 . 30 1 1 A 86 86 SER HA H 86 5.203 5.121 0.082 1 1 849 . 30 1 1 A 86 86 SER C C 86 175.470 174.068 1.402 1 1 850 . 30 1 1 A 86 86 SER CA C 86 61.600 57.728 3.872 1 1 851 . 30 1 1 A 86 86 SER CB C 86 64.270 65.162 -0.892 1 1 852 . 30 1 1 A 86 86 SER N N 86 128.670 124.053 4.617 1 1 853 . 30 1 1 A 87 87 ARG H H 87 10.946 8.853 2.093 1 1 854 . 30 1 1 A 87 87 ARG HA H 87 5.179 4.251 0.928 1 1 862 . 30 1 1 A 87 87 ARG C C 87 177.110 176.341 0.769 1 1 863 . 30 1 1 A 87 87 ARG CA C 87 60.810 58.787 2.023 1 1 864 . 30 1 1 A 87 87 ARG CB C 87 29.010 30.287 -1.277 1 1 865 . 30 1 1 A 87 87 ARG N N 87 126.810 125.403 1.407 1 1 867 . 30 1 1 A 88 88 ARG H H 88 7.946 7.815 0.131 1 1 868 . 30 1 1 A 88 88 ARG HA H 88 4.459 4.715 -0.256 1 1 876 . 30 1 1 A 88 88 ARG C C 88 172.990 175.671 -2.681 1 1 877 . 30 1 1 A 88 88 ARG CA C 88 55.060 54.778 0.282 1 1 878 . 30 1 1 A 88 88 ARG CB C 88 29.770 30.721 -0.951 1 1 879 . 30 1 1 A 88 88 ARG N N 88 115.670 119.298 -3.628 1 1 881 . 30 1 1 A 89 89 HIS H H 89 7.613 8.688 -1.075 1 1 882 . 30 1 1 A 89 89 HIS HA H 89 4.437 4.572 -0.135 1 1 888 . 30 1 1 A 89 89 HIS C C 89 174.050 175.024 -0.974 1 1 889 . 30 1 1 A 89 89 HIS CA C 89 58.420 58.047 0.373 1 1 890 . 30 1 1 A 89 89 HIS CB C 89 32.620 31.841 0.779 1 1 891 . 30 1 1 A 89 89 HIS N N 89 124.000 125.450 -1.450 1 1 893 . 30 1 1 A 90 90 ALA H H 90 8.454 7.315 1.139 1 1 894 . 30 1 1 A 90 90 ALA HA H 90 5.529 4.404 1.125 1 1 898 . 30 1 1 A 90 90 ALA C C 90 176.260 174.855 1.405 1 1 899 . 30 1 1 A 90 90 ALA CA C 90 50.240 51.302 -1.062 1 1 900 . 30 1 1 A 90 90 ALA CB C 90 23.220 22.625 0.595 1 1 901 . 30 1 1 A 90 90 ALA N N 90 116.480 118.063 -1.583 1 1 902 . 30 1 1 A 91 91 GLU H H 91 9.216 8.703 0.513 1 1 903 . 30 1 1 A 91 91 GLU HA H 91 4.931 5.106 -0.175 1 1 908 . 30 1 1 A 91 91 GLU C C 91 173.910 175.211 -1.301 1 1 909 . 30 1 1 A 91 91 GLU CA C 91 54.690 54.696 -0.006 1 1 910 . 30 1 1 A 91 91 GLU CB C 91 34.720 32.986 1.734 1 1 911 . 30 1 1 A 91 91 GLU N N 91 118.140 117.717 0.423 1 1 912 . 30 1 1 A 92 92 PHE H H 92 9.330 9.573 -0.243 1 1 913 . 30 1 1 A 92 92 PHE HA H 92 5.502 5.379 0.123 1 1 921 . 30 1 1 A 92 92 PHE C C 92 176.650 174.336 2.314 1 1 922 . 30 1 1 A 92 92 PHE CA C 92 56.760 56.511 0.249 1 1 923 . 30 1 1 A 92 92 PHE CB C 92 41.690 40.452 1.238 1 1 924 . 30 1 1 A 92 92 PHE N N 92 119.490 121.683 -2.193 1 1 925 . 30 1 1 A 93 93 ARG H H 93 9.846 9.313 0.533 1 1 926 . 30 1 1 A 93 93 ARG HA H 93 5.610 5.096 0.514 1 1 934 . 30 1 1 A 93 93 ARG C C 93 175.010 174.813 0.197 1 1 935 . 30 1 1 A 93 93 ARG CA C 93 54.580 54.456 0.124 1 1 936 . 30 1 1 A 93 93 ARG CB C 93 34.220 33.205 1.015 1 1 937 . 30 1 1 A 93 93 ARG N N 93 127.300 125.492 1.808 1 1 939 . 30 1 1 A 94 94 ILE H H 94 8.521 9.301 -0.780 1 1 940 . 30 1 1 A 94 94 ILE HA H 94 4.410 4.813 -0.403 1 1 950 . 30 1 1 A 94 94 ILE C C 94 176.420 174.515 1.905 1 1 951 . 30 1 1 A 94 94 ILE CA C 94 61.130 59.929 1.201 1 1 952 . 30 1 1 A 94 94 ILE CB C 94 38.830 38.471 0.359 1 1 953 . 30 1 1 A 94 94 ILE N N 94 121.680 127.049 -5.369 1 1 954 . 30 1 1 A 95 95 ASN H H 95 8.847 9.134 -0.287 1 1 955 . 30 1 1 A 95 95 ASN HA H 95 4.796 5.039 -0.243 1 1 960 . 30 1 1 A 95 95 ASN C C 95 174.430 174.811 -0.381 1 1 961 . 30 1 1 A 95 95 ASN CA C 95 52.560 52.465 0.095 1 1 962 . 30 1 1 A 95 95 ASN CB C 95 40.510 40.854 -0.344 1 1 963 . 30 1 1 A 95 95 ASN N N 95 127.100 125.048 2.052 1 1 965 . 30 1 1 A 96 96 GLU H H 96 9.303 9.419 -0.116 1 1 966 . 30 1 1 A 96 96 GLU HA H 96 3.768 3.933 -0.165 1 1 971 . 30 1 1 A 96 96 GLU C C 96 176.280 175.583 0.697 1 1 972 . 30 1 1 A 96 96 GLU CA C 96 57.150 57.328 -0.178 1 1 973 . 30 1 1 A 96 96 GLU CB C 96 27.590 28.345 -0.755 1 1 974 . 30 1 1 A 96 96 GLU N N 96 125.150 126.421 -1.271 1 1 975 . 30 1 1 A 97 97 GLY H H 97 7.937 8.527 -0.590 1 1 976 . 30 1 1 A 97 97 GLY HA2 H 97 4.042 3.701 0.341 1 1 977 . 30 1 1 A 97 97 GLY HA3 H 97 3.450 3.796 -0.346 1 1 978 . 30 1 1 A 97 97 GLY C C 97 172.990 173.603 -0.613 1 1 979 . 30 1 1 A 97 97 GLY CA C 97 45.390 45.215 0.175 1 1 980 . 30 1 1 A 97 97 GLY N N 97 104.330 104.960 -0.630 1 1 981 . 30 1 1 A 98 98 GLU H H 98 7.557 7.885 -0.328 1 1 982 . 30 1 1 A 98 98 GLU HA H 98 4.591 4.752 -0.161 1 1 987 . 30 1 1 A 98 98 GLU C C 98 174.530 175.866 -1.336 1 1 988 . 30 1 1 A 98 98 GLU CA C 98 54.770 54.798 -0.028 1 1 989 . 30 1 1 A 98 98 GLU CB C 98 32.290 31.670 0.620 1 1 990 . 30 1 1 A 98 98 GLU N N 98 119.350 119.963 -0.613 1 1 991 . 30 1 1 A 99 99 PHE H H 99 9.412 9.224 0.188 1 1 992 . 30 1 1 A 99 99 PHE HA H 99 5.007 5.196 -0.189 1 1 999 . 30 1 1 A 99 99 PHE C C 99 174.050 175.309 -1.259 1 1 1000 . 30 1 1 A 99 99 PHE CA C 99 57.260 56.610 0.650 1 1 1001 . 30 1 1 A 99 99 PHE CB C 99 42.110 41.080 1.030 1 1 1002 . 30 1 1 A 99 99 PHE N N 99 122.550 121.280 1.270 1 1 1003 . 30 1 1 A 100 100 GLU H H 100 9.444 9.687 -0.243 1 1 1004 . 30 1 1 A 100 100 GLU HA H 100 5.145 5.072 0.073 1 1 1009 . 30 1 1 A 100 100 GLU C C 100 175.340 174.458 0.882 1 1 1010 . 30 1 1 A 100 100 GLU CA C 100 54.080 54.572 -0.492 1 1 1011 . 30 1 1 A 100 100 GLU CB C 100 34.720 33.495 1.225 1 1 1012 . 30 1 1 A 100 100 GLU N N 100 124.080 120.464 3.616 1 1 1013 . 30 1 1 A 101 101 VAL H H 101 8.726 8.970 -0.244 1 1 1014 . 30 1 1 A 101 101 VAL HA H 101 4.900 4.528 0.372 1 1 1022 . 30 1 1 A 101 101 VAL C C 101 172.510 174.947 -2.437 1 1 1023 . 30 1 1 A 101 101 VAL CA C 101 58.710 60.984 -2.274 1 1 1024 . 30 1 1 A 101 101 VAL CB C 101 33.550 33.135 0.415 1 1 1025 . 30 1 1 A 101 101 VAL N N 101 124.500 123.183 1.317 1 1 1026 . 30 1 1 A 102 102 VAL H H 102 8.719 9.172 -0.453 1 1 1027 . 30 1 1 A 102 102 VAL HA H 102 4.578 4.799 -0.221 1 1 1035 . 30 1 1 A 102 102 VAL C C 102 175.380 173.922 1.458 1 1 1036 . 30 1 1 A 102 102 VAL CA C 102 60.370 59.990 0.380 1 1 1037 . 30 1 1 A 102 102 VAL CB C 102 36.060 34.341 1.719 1 1 1038 . 30 1 1 A 102 102 VAL N N 102 125.900 122.497 3.403 1 1 1039 . 30 1 1 A 103 103 ASP H H 103 8.626 9.153 -0.527 1 1 1040 . 30 1 1 A 103 103 ASP HA H 103 4.856 4.516 0.340 1 1 1043 . 30 1 1 A 103 103 ASP C C 103 177.300 176.745 0.555 1 1 1044 . 30 1 1 A 103 103 ASP CA C 103 54.580 54.338 0.242 1 1 1045 . 30 1 1 A 103 103 ASP CB C 103 44.210 41.957 2.253 1 1 1046 . 30 1 1 A 103 103 ASP N N 103 127.250 127.289 -0.039 1 1 1047 . 30 1 1 A 104 104 VAL H H 104 7.890 8.766 -0.876 1 1 1048 . 30 1 1 A 104 104 VAL HA H 104 4.527 4.494 0.033 1 1 1056 . 30 1 1 A 104 104 VAL C C 104 174.490 176.670 -2.180 1 1 1057 . 30 1 1 A 104 104 VAL CA C 104 60.630 61.114 -0.484 1 1 1058 . 30 1 1 A 104 104 VAL CB C 104 29.350 32.660 -3.310 1 1 1059 . 30 1 1 A 104 104 VAL N N 104 119.270 119.813 -0.543 1 1 1060 . 30 1 1 A 105 105 GLY H H 105 8.690 7.757 0.933 1 1 1061 . 30 1 1 A 105 105 GLY HA2 H 105 4.270 3.967 0.303 1 1 1062 . 30 1 1 A 105 105 GLY HA3 H 105 3.685 3.973 -0.288 1 1 1063 . 30 1 1 A 105 105 GLY C C 105 175.490 175.535 -0.045 1 1 1064 . 30 1 1 A 105 105 GLY CA C 105 45.650 46.276 -0.626 1 1 1065 . 30 1 1 A 105 105 GLY N N 105 111.790 111.921 -0.131 1 1 1066 . 30 1 1 A 106 106 SER H H 106 9.218 8.451 0.767 1 1 1067 . 30 1 1 A 106 106 SER HA H 106 3.894 4.209 -0.315 1 1 1070 . 30 1 1 A 106 106 SER C C 106 174.590 175.211 -0.621 1 1 1071 . 30 1 1 A 106 106 SER CA C 106 58.600 59.468 -0.868 1 1 1072 . 30 1 1 A 106 106 SER CB C 106 61.250 62.992 -1.742 1 1 1073 . 30 1 1 A 106 106 SER N N 106 121.540 114.665 6.875 1 1 1074 . 30 1 1 A 107 107 LEU H H 107 8.018 8.059 -0.041 1 1 1075 . 30 1 1 A 107 107 LEU HA H 107 4.240 3.893 0.347 1 1 1085 . 30 1 1 A 107 107 LEU C C 107 179.420 178.483 0.937 1 1 1086 . 30 1 1 A 107 107 LEU CA C 107 57.590 57.911 -0.321 1 1 1087 . 30 1 1 A 107 107 LEU CB C 107 42.360 41.687 0.673 1 1 1088 . 30 1 1 A 107 107 LEU N N 107 121.520 119.718 1.802 1 1 1089 . 30 1 1 A 108 108 ASN H H 108 8.799 7.756 1.043 1 1 1090 . 30 1 1 A 108 108 ASN HA H 108 4.986 4.748 0.238 1 1 1093 . 30 1 1 A 108 108 ASN C C 108 175.950 175.600 0.350 1 1 1094 . 30 1 1 A 108 108 ASN CA C 108 54.440 53.188 1.252 1 1 1095 . 30 1 1 A 108 108 ASN CB C 108 41.180 39.035 2.145 1 1 1096 . 30 1 1 A 108 108 ASN N N 108 111.800 116.455 -4.655 1 1 1097 . 30 1 1 A 109 109 GLY H H 109 8.025 7.952 0.073 1 1 1098 . 30 1 1 A 109 109 GLY HA2 H 109 4.237 3.938 0.299 1 1 1099 . 30 1 1 A 109 109 GLY HA3 H 109 3.621 4.029 -0.408 1 1 1100 . 30 1 1 A 109 109 GLY C C 109 173.820 174.511 -0.691 1 1 1101 . 30 1 1 A 109 109 GLY CA C 109 44.340 45.844 -1.504 1 1 1102 . 30 1 1 A 109 109 GLY N N 109 110.600 107.196 3.404 1 1 1103 . 30 1 1 A 110 110 THR H H 110 8.770 8.299 0.471 1 1 1104 . 30 1 1 A 110 110 THR HA H 110 4.797 4.466 0.331 1 1 1109 . 30 1 1 A 110 110 THR C C 110 172.570 174.012 -1.442 1 1 1110 . 30 1 1 A 110 110 THR CA C 110 64.540 63.372 1.168 1 1 1111 . 30 1 1 A 110 110 THR CB C 110 70.230 69.277 0.953 1 1 1112 . 30 1 1 A 110 110 THR N N 110 121.240 115.975 5.265 1 1 1113 . 30 1 1 A 111 111 TYR H H 111 8.272 9.305 -1.033 1 1 1114 . 30 1 1 A 111 111 TYR HA H 111 5.155 5.511 -0.356 1 1 1121 . 30 1 1 A 111 111 TYR C C 111 175.860 175.443 0.417 1 1 1122 . 30 1 1 A 111 111 TYR CA C 111 55.820 56.548 -0.728 1 1 1123 . 30 1 1 A 111 111 TYR CB C 111 41.100 42.369 -1.269 1 1 1124 . 30 1 1 A 111 111 TYR N N 111 123.680 125.515 -1.835 1 1 1125 . 30 1 1 A 112 112 VAL H H 112 9.017 9.372 -0.355 1 1 1126 . 30 1 1 A 112 112 VAL HA H 112 4.951 4.585 0.366 1 1 1134 . 30 1 1 A 112 112 VAL C C 112 176.780 176.239 0.541 1 1 1135 . 30 1 1 A 112 112 VAL CA C 112 61.130 61.180 -0.050 1 1 1136 . 30 1 1 A 112 112 VAL CB C 112 32.870 34.423 -1.553 1 1 1137 . 30 1 1 A 112 112 VAL N N 112 121.300 122.995 -1.695 1 1 1138 . 30 1 1 A 113 113 ASN H H 113 10.285 9.690 0.595 1 1 1139 . 30 1 1 A 113 113 ASN HA H 113 4.483 4.359 0.124 1 1 1144 . 30 1 1 A 113 113 ASN C C 113 174.590 174.302 0.288 1 1 1145 . 30 1 1 A 113 113 ASN CA C 113 55.160 54.465 0.695 1 1 1146 . 30 1 1 A 113 113 ASN CB C 113 37.240 37.133 0.107 1 1 1147 . 30 1 1 A 113 113 ASN N N 113 129.510 127.037 2.473 1 1 1149 . 30 1 1 A 114 114 ARG H H 114 9.459 8.592 0.867 1 1 1150 . 30 1 1 A 114 114 ARG HA H 114 3.659 3.854 -0.195 1 1 1158 . 30 1 1 A 114 114 ARG C C 114 174.900 174.871 0.029 1 1 1159 . 30 1 1 A 114 114 ARG CA C 114 58.280 57.725 0.555 1 1 1160 . 30 1 1 A 114 114 ARG CB C 114 27.250 27.643 -0.393 1 1 1161 . 30 1 1 A 114 114 ARG N N 114 106.570 110.913 -4.343 1 1 1163 . 30 1 1 A 115 115 GLU H H 115 7.827 7.926 -0.099 1 1 1164 . 30 1 1 A 115 115 GLU HA H 115 5.153 4.919 0.234 1 1 1169 . 30 1 1 A 115 115 GLU C C 115 173.950 174.275 -0.325 1 1 1170 . 30 1 1 A 115 115 GLU CA C 115 52.990 53.026 -0.036 1 1 1171 . 30 1 1 A 115 115 GLU N N 115 119.780 118.561 1.219 1 1 1172 . 30 1 1 A 116 116 PRO HA H 116 3.983 4.665 -0.682 1 1 1177 . 30 1 1 A 116 116 PRO C C 116 177.780 175.191 2.589 1 1 1178 . 30 1 1 A 116 116 PRO CA C 116 62.910 62.946 -0.036 1 1 1179 . 30 1 1 A 116 116 PRO CB C 116 31.200 31.586 -0.386 1 1 1180 . 30 1 1 A 117 117 ARG H H 117 8.414 8.368 0.046 1 1 1181 . 30 1 1 A 117 117 ARG HA H 117 4.699 4.583 0.116 1 1 1189 . 30 1 1 A 117 117 ARG C C 117 175.260 175.461 -0.201 1 1 1190 . 30 1 1 A 117 117 ARG CA C 117 52.990 55.439 -2.449 1 1 1191 . 30 1 1 A 117 117 ARG CB C 117 24.560 33.067 -8.507 1 1 1192 . 30 1 1 A 117 117 ARG N N 117 121.900 124.055 -2.155 1 1 1194 . 30 1 1 A 118 118 ASN H H 118 8.741 8.611 0.130 1 1 1195 . 30 1 1 A 118 118 ASN HA H 118 4.731 4.712 0.019 1 1 1200 . 30 1 1 A 118 118 ASN C C 118 175.220 175.236 -0.016 1 1 1201 . 30 1 1 A 118 118 ASN CA C 118 55.090 55.005 0.085 1 1 1202 . 30 1 1 A 118 118 ASN CB C 118 38.920 40.002 -1.082 1 1 1203 . 30 1 1 A 118 118 ASN N N 118 120.190 121.024 -0.834 1 1 1205 . 30 1 1 A 119 119 ALA H H 119 7.372 7.837 -0.465 1 1 1206 . 30 1 1 A 119 119 ALA HA H 119 5.319 5.268 0.051 1 1 1210 . 30 1 1 A 119 119 ALA C C 119 176.720 175.218 1.502 1 1 1211 . 30 1 1 A 119 119 ALA CA C 119 52.120 50.288 1.832 1 1 1212 . 30 1 1 A 119 119 ALA CB C 119 21.460 22.156 -0.696 1 1 1213 . 30 1 1 A 119 119 ALA N N 119 120.380 119.701 0.679 1 1 1214 . 30 1 1 A 120 120 GLN H H 120 8.787 8.655 0.132 1 1 1215 . 30 1 1 A 120 120 GLN HA H 120 4.505 4.576 -0.071 1 1 1222 . 30 1 1 A 120 120 GLN C C 120 174.380 173.978 0.402 1 1 1223 . 30 1 1 A 120 120 GLN CA C 120 56.030 55.082 0.948 1 1 1224 . 30 1 1 A 120 120 GLN CB C 120 32.790 33.088 -0.298 1 1 1225 . 30 1 1 A 120 120 GLN N N 120 121.180 121.293 -0.113 1 1 1227 . 30 1 1 A 121 121 VAL H H 121 8.692 8.679 0.013 1 1 1228 . 30 1 1 A 121 121 VAL HA H 121 4.258 4.305 -0.047 1 1 1236 . 30 1 1 A 121 121 VAL C C 121 176.510 174.840 1.670 1 1 1237 . 30 1 1 A 121 121 VAL CA C 121 64.140 62.439 1.701 1 1 1238 . 30 1 1 A 121 121 VAL CB C 121 31.700 32.074 -0.374 1 1 1239 . 30 1 1 A 121 121 VAL N N 121 129.930 126.479 3.451 1 1 1240 . 30 1 1 A 122 122 MET H H 122 8.924 9.412 -0.488 1 1 1241 . 30 1 1 A 122 122 MET HA H 122 4.419 4.999 -0.580 1 1 1249 . 30 1 1 A 122 122 MET C C 122 174.380 175.255 -0.875 1 1 1250 . 30 1 1 A 122 122 MET CA C 122 55.740 54.022 1.718 1 1 1251 . 30 1 1 A 122 122 MET CB C 122 35.140 34.789 0.351 1 1 1252 . 30 1 1 A 122 122 MET N N 122 129.560 127.940 1.620 1 1 1253 . 30 1 1 A 123 123 GLN H H 123 9.002 8.936 0.066 1 1 1254 . 30 1 1 A 123 123 GLN HA H 123 4.823 5.023 -0.200 1 1 1261 . 30 1 1 A 123 123 GLN C C 123 175.530 175.470 0.060 1 1 1262 . 30 1 1 A 123 123 GLN CA C 123 53.570 54.517 -0.947 1 1 1263 . 30 1 1 A 123 123 GLN CB C 123 32.290 32.496 -0.206 1 1 1264 . 30 1 1 A 123 123 GLN N N 123 119.810 125.545 -5.735 1 1 1266 . 30 1 1 A 124 124 THR H H 124 9.036 8.654 0.382 1 1 1267 . 30 1 1 A 124 124 THR HA H 124 4.208 4.117 0.091 1 1 1272 . 30 1 1 A 124 124 THR C C 124 175.300 175.668 -0.368 1 1 1273 . 30 1 1 A 124 124 THR CA C 124 65.510 63.835 1.675 1 1 1274 . 30 1 1 A 124 124 THR CB C 124 69.560 68.635 0.925 1 1 1275 . 30 1 1 A 124 124 THR N N 124 119.570 117.100 2.470 1 1 1276 . 30 1 1 A 125 125 GLY H H 125 9.921 9.465 0.456 1 1 1277 . 30 1 1 A 125 125 GLY HA2 H 125 4.552 4.001 0.551 1 1 1278 . 30 1 1 A 125 125 GLY HA3 H 125 3.480 4.014 -0.534 1 1 1279 . 30 1 1 A 125 125 GLY C C 125 174.650 173.975 0.675 1 1 1280 . 30 1 1 A 125 125 GLY CA C 125 44.710 45.035 -0.325 1 1 1281 . 30 1 1 A 125 125 GLY N N 125 117.920 116.984 0.936 1 1 1282 . 30 1 1 A 126 126 ASP H H 126 8.638 7.839 0.799 1 1 1283 . 30 1 1 A 126 126 ASP HA H 126 4.876 4.968 -0.092 1 1 1286 . 30 1 1 A 126 126 ASP C C 126 174.650 175.597 -0.947 1 1 1287 . 30 1 1 A 126 126 ASP CA C 126 56.140 53.438 2.702 1 1 1288 . 30 1 1 A 126 126 ASP CB C 126 41.690 42.360 -0.670 1 1 1289 . 30 1 1 A 126 126 ASP N N 126 123.190 122.131 1.059 1 1 1290 . 30 1 1 A 127 127 GLU H H 127 8.316 9.247 -0.931 1 1 1291 . 30 1 1 A 127 127 GLU HA H 127 5.341 5.246 0.095 1 1 1296 . 30 1 1 A 127 127 GLU C C 127 175.990 174.979 1.011 1 1 1297 . 30 1 1 A 127 127 GLU CA C 127 54.440 54.810 -0.370 1 1 1298 . 30 1 1 A 127 127 GLU CB C 127 32.790 32.446 0.344 1 1 1299 . 30 1 1 A 127 127 GLU N N 127 118.480 122.585 -4.105 1 1 1300 . 30 1 1 A 128 128 ILE H H 128 9.910 9.246 0.664 1 1 1301 . 30 1 1 A 128 128 ILE HA H 128 5.334 5.019 0.315 1 1 1311 . 30 1 1 A 128 128 ILE C C 128 174.700 174.380 0.320 1 1 1312 . 30 1 1 A 128 128 ILE CA C 128 59.470 60.287 -0.817 1 1 1313 . 30 1 1 A 128 128 ILE CB C 128 40.600 39.957 0.643 1 1 1314 . 30 1 1 A 128 128 ILE N N 128 128.810 126.385 2.425 1 1 1315 . 30 1 1 A 129 129 GLN H H 129 9.502 9.616 -0.114 1 1 1316 . 30 1 1 A 129 129 GLN HA H 129 5.406 5.156 0.250 1 1 1323 . 30 1 1 A 129 129 GLN C C 129 174.950 174.522 0.428 1 1 1324 . 30 1 1 A 129 129 GLN CA C 129 54.800 54.070 0.730 1 1 1325 . 30 1 1 A 129 129 GLN CB C 129 30.690 32.165 -1.475 1 1 1326 . 30 1 1 A 129 129 GLN N N 129 129.270 128.147 1.123 1 1 1328 . 30 1 1 A 130 130 ILE H H 130 8.498 8.789 -0.291 1 1 1329 . 30 1 1 A 130 130 ILE HA H 130 4.116 4.303 -0.187 1 1 1339 . 30 1 1 A 130 130 ILE C C 130 174.860 175.906 -1.046 1 1 1340 . 30 1 1 A 130 130 ILE CA C 130 60.740 59.840 0.900 1 1 1341 . 30 1 1 A 130 130 ILE CB C 130 41.440 37.920 3.520 1 1 1342 . 30 1 1 A 130 130 ILE N N 130 129.070 127.609 1.461 1 1 1343 . 30 1 1 A 131 131 GLY H H 131 9.924 9.260 0.664 1 1 1344 . 30 1 1 A 131 131 GLY HA2 H 131 3.768 3.810 -0.042 1 1 1345 . 30 1 1 A 131 131 GLY HA3 H 131 3.337 3.902 -0.565 1 1 1346 . 30 1 1 A 131 131 GLY C C 131 174.590 174.626 -0.036 1 1 1347 . 30 1 1 A 131 131 GLY CA C 131 46.700 47.344 -0.644 1 1 1348 . 30 1 1 A 131 131 GLY N N 131 116.470 117.902 -1.432 1 1 1349 . 30 1 1 A 132 132 LYS H H 132 7.141 8.314 -1.173 1 1 1350 . 30 1 1 A 132 132 LYS HA H 132 3.750 4.491 -0.741 1 1 1357 . 30 1 1 A 132 132 LYS C C 132 175.820 175.627 0.193 1 1 1358 . 30 1 1 A 132 132 LYS CA C 132 57.550 55.942 1.608 1 1 1359 . 30 1 1 A 132 132 LYS CB C 132 33.300 33.548 -0.248 1 1 1360 . 30 1 1 A 132 132 LYS N N 132 122.960 124.461 -1.501 1 1 1361 . 30 1 1 A 133 133 PHE H H 133 8.360 7.381 0.979 1 1 1362 . 30 1 1 A 133 133 PHE HA H 133 4.601 5.369 -0.768 1 1 1370 . 30 1 1 A 133 133 PHE C C 133 174.910 173.372 1.538 1 1 1371 . 30 1 1 A 133 133 PHE CA C 133 58.600 55.346 3.254 1 1 1372 . 30 1 1 A 133 133 PHE CB C 133 40.510 42.895 -2.385 1 1 1373 . 30 1 1 A 133 133 PHE N N 133 118.170 116.422 1.748 1 1 1374 . 30 1 1 A 134 134 ARG H H 134 8.698 9.072 -0.374 1 1 1375 . 30 1 1 A 134 134 ARG HA H 134 5.212 5.271 -0.059 1 1 1383 . 30 1 1 A 134 134 ARG C C 134 175.150 174.700 0.450 1 1 1384 . 30 1 1 A 134 134 ARG CA C 134 55.060 54.413 0.647 1 1 1385 . 30 1 1 A 134 134 ARG CB C 134 33.550 34.153 -0.603 1 1 1386 . 30 1 1 A 134 134 ARG N N 134 120.770 119.126 1.644 1 1 1388 . 30 1 1 A 135 135 LEU H H 135 9.904 9.328 0.576 1 1 1389 . 30 1 1 A 135 135 LEU HA H 135 5.544 5.491 0.053 1 1 1399 . 30 1 1 A 135 135 LEU C C 135 175.260 175.691 -0.431 1 1 1400 . 30 1 1 A 135 135 LEU CA C 135 53.930 53.645 0.285 1 1 1401 . 30 1 1 A 135 135 LEU CB C 135 45.550 44.714 0.836 1 1 1402 . 30 1 1 A 135 135 LEU N N 135 127.130 124.103 3.027 1 1 1403 . 30 1 1 A 136 136 VAL H H 136 9.350 9.259 0.091 1 1 1404 . 30 1 1 A 136 136 VAL HA H 136 5.226 4.754 0.472 1 1 1412 . 30 1 1 A 136 136 VAL C C 136 174.050 174.257 -0.207 1 1 1413 . 30 1 1 A 136 136 VAL CA C 136 60.520 60.291 0.229 1 1 1414 . 30 1 1 A 136 136 VAL CB C 136 34.890 33.914 0.976 1 1 1415 . 30 1 1 A 136 136 VAL N N 136 121.300 122.665 -1.365 1 1 1416 . 30 1 1 A 137 137 PHE H H 137 8.492 9.309 -0.817 1 1 1417 . 30 1 1 A 137 137 PHE HA H 137 5.007 5.008 -0.001 1 1 1424 . 30 1 1 A 137 137 PHE C C 137 173.340 173.871 -0.531 1 1 1425 . 30 1 1 A 137 137 PHE CA C 137 57.010 56.315 0.695 1 1 1426 . 30 1 1 A 137 137 PHE CB C 137 41.770 40.571 1.199 1 1 1427 . 30 1 1 A 137 137 PHE N N 137 127.550 128.464 -0.914 1 1 1428 . 30 1 1 A 138 138 LEU H H 138 8.535 8.891 -0.356 1 1 1429 . 30 1 1 A 138 138 LEU HA H 138 4.345 4.752 -0.407 1 1 1439 . 30 1 1 A 138 138 LEU C C 138 173.390 175.574 -2.184 1 1 1440 . 30 1 1 A 138 138 LEU CA C 138 53.680 53.153 0.527 1 1 1441 . 30 1 1 A 138 138 LEU CB C 138 45.210 45.275 -0.065 1 1 1442 . 30 1 1 A 138 138 LEU N N 138 128.590 127.917 0.673 1 1 1443 . 30 1 1 A 139 139 ALA H H 139 7.502 8.855 -1.353 1 1 1444 . 30 1 1 A 139 139 ALA HA H 139 3.952 4.216 -0.264 1 1 1448 . 30 1 1 A 139 139 ALA C C 139 178.010 177.569 0.441 1 1 1449 . 30 1 1 A 139 139 ALA CA C 139 51.650 51.399 0.251 1 1 1450 . 30 1 1 A 139 139 ALA CB C 139 20.700 19.450 1.250 1 1 1451 . 30 1 1 A 139 139 ALA N N 139 123.250 127.210 -3.960 1 1 1452 . 30 1 1 A 140 140 GLY H H 140 7.968 8.932 -0.964 1 1 1453 . 30 1 1 A 140 140 GLY HA2 H 140 4.202 3.904 0.298 1 1 1454 . 30 1 1 A 140 140 GLY HA3 H 140 3.595 3.929 -0.334 1 1 1455 . 30 1 1 A 140 140 GLY C C 140 171.240 173.421 -2.181 1 1 1456 . 30 1 1 A 140 140 GLY CA C 140 44.710 45.258 -0.548 1 1 1457 . 30 1 1 A 140 140 GLY N N 140 108.040 107.459 0.581 1 1 1458 . 30 1 1 A 141 141 PRO HA H 141 4.460 4.539 -0.079 1 1 1463 . 30 1 1 A 141 141 PRO C C 141 176.150 176.507 -0.357 1 1 1464 . 30 1 1 A 141 141 PRO CA C 141 63.230 62.937 0.293 1 1 1465 . 30 1 1 A 141 141 PRO CB C 141 32.370 32.443 -0.073 1 1 1466 . 30 1 1 A 142 142 ALA H H 142 8.496 8.389 0.107 1 1 1467 . 30 1 1 A 142 142 ALA HA H 142 4.363 4.330 0.033 1 1 1471 . 30 1 1 A 142 142 ALA C C 142 177.320 176.714 0.606 1 1 1472 . 30 1 1 A 142 142 ALA CA C 142 52.740 51.998 0.742 1 1 1473 . 30 1 1 A 142 142 ALA CB C 142 19.780 17.355 2.425 1 1 1474 . 30 1 1 A 142 142 ALA N N 142 124.080 123.040 1.040 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 138 1.196 1 2 1 1 1 "RMS(OBS, PRED)" CA 138 1.422 1 3 1 1 1 "RMS(OBS, PRED)" CB 118 1.545 1 4 1 1 1 "RMS(OBS, PRED)" H 129 0.678 1 5 1 1 1 "RMS(OBS, PRED)" HA 151 0.375 1 6 1 1 1 "RMS(OBS, PRED)" N 129 2.721 1 7 1 2 1 "RMS(OBS, PRED)" C 138 1.171 1 8 1 2 1 "RMS(OBS, PRED)" CA 138 1.420 1 9 1 2 1 "RMS(OBS, PRED)" CB 118 1.483 1 10 1 2 1 "RMS(OBS, PRED)" H 129 0.639 1 11 1 2 1 "RMS(OBS, PRED)" HA 151 0.384 1 12 1 2 1 "RMS(OBS, PRED)" N 129 2.841 1 13 1 3 1 "RMS(OBS, PRED)" C 138 1.173 1 14 1 3 1 "RMS(OBS, PRED)" CA 138 1.402 1 15 1 3 1 "RMS(OBS, PRED)" CB 118 1.671 1 16 1 3 1 "RMS(OBS, PRED)" H 129 0.642 1 17 1 3 1 "RMS(OBS, PRED)" HA 151 0.401 1 18 1 3 1 "RMS(OBS, PRED)" N 129 2.843 1 19 1 4 1 "RMS(OBS, PRED)" C 138 1.215 1 20 1 4 1 "RMS(OBS, PRED)" CA 138 1.367 1 21 1 4 1 "RMS(OBS, PRED)" CB 118 1.531 1 22 1 4 1 "RMS(OBS, PRED)" H 129 0.642 1 23 1 4 1 "RMS(OBS, PRED)" HA 151 0.394 1 24 1 4 1 "RMS(OBS, PRED)" N 129 2.770 1 25 1 5 1 "RMS(OBS, PRED)" C 138 1.106 1 26 1 5 1 "RMS(OBS, PRED)" CA 138 1.280 1 27 1 5 1 "RMS(OBS, PRED)" CB 118 1.601 1 28 1 5 1 "RMS(OBS, PRED)" H 129 0.694 1 29 1 5 1 "RMS(OBS, PRED)" HA 151 0.392 1 30 1 5 1 "RMS(OBS, PRED)" N 129 2.807 1 31 1 6 1 "RMS(OBS, PRED)" C 138 1.198 1 32 1 6 1 "RMS(OBS, PRED)" CA 138 1.328 1 33 1 6 1 "RMS(OBS, PRED)" CB 118 1.506 1 34 1 6 1 "RMS(OBS, PRED)" H 129 0.666 1 35 1 6 1 "RMS(OBS, PRED)" HA 151 0.391 1 36 1 6 1 "RMS(OBS, PRED)" N 129 2.903 1 37 1 7 1 "RMS(OBS, PRED)" C 138 1.226 1 38 1 7 1 "RMS(OBS, PRED)" CA 138 1.287 1 39 1 7 1 "RMS(OBS, PRED)" CB 118 1.601 1 40 1 7 1 "RMS(OBS, PRED)" H 129 0.697 1 41 1 7 1 "RMS(OBS, PRED)" HA 151 0.377 1 42 1 7 1 "RMS(OBS, PRED)" N 129 2.936 1 43 1 8 1 "RMS(OBS, PRED)" C 138 1.146 1 44 1 8 1 "RMS(OBS, PRED)" CA 138 1.247 1 45 1 8 1 "RMS(OBS, PRED)" CB 118 1.669 1 46 1 8 1 "RMS(OBS, PRED)" H 129 0.680 1 47 1 8 1 "RMS(OBS, PRED)" HA 151 0.378 1 48 1 8 1 "RMS(OBS, PRED)" N 129 2.575 1 49 1 9 1 "RMS(OBS, PRED)" C 138 1.139 1 50 1 9 1 "RMS(OBS, PRED)" CA 138 1.216 1 51 1 9 1 "RMS(OBS, PRED)" CB 118 1.725 1 52 1 9 1 "RMS(OBS, PRED)" H 129 0.697 1 53 1 9 1 "RMS(OBS, PRED)" HA 151 0.409 1 54 1 9 1 "RMS(OBS, PRED)" N 129 2.690 1 55 1 10 1 "RMS(OBS, PRED)" C 138 1.130 1 56 1 10 1 "RMS(OBS, PRED)" CA 138 1.385 1 57 1 10 1 "RMS(OBS, PRED)" CB 118 1.589 1 58 1 10 1 "RMS(OBS, PRED)" H 129 0.652 1 59 1 10 1 "RMS(OBS, PRED)" HA 151 0.396 1 60 1 10 1 "RMS(OBS, PRED)" N 129 2.641 1 61 1 11 1 "RMS(OBS, PRED)" C 138 1.159 1 62 1 11 1 "RMS(OBS, PRED)" CA 138 1.347 1 63 1 11 1 "RMS(OBS, PRED)" CB 118 1.553 1 64 1 11 1 "RMS(OBS, PRED)" H 129 0.707 1 65 1 11 1 "RMS(OBS, PRED)" HA 151 0.370 1 66 1 11 1 "RMS(OBS, PRED)" N 129 2.528 1 67 1 12 1 "RMS(OBS, PRED)" C 138 1.183 1 68 1 12 1 "RMS(OBS, PRED)" CA 138 1.346 1 69 1 12 1 "RMS(OBS, PRED)" CB 118 1.548 1 70 1 12 1 "RMS(OBS, PRED)" H 129 0.682 1 71 1 12 1 "RMS(OBS, PRED)" HA 151 0.377 1 72 1 12 1 "RMS(OBS, PRED)" N 129 2.730 1 73 1 13 1 "RMS(OBS, PRED)" C 138 1.188 1 74 1 13 1 "RMS(OBS, PRED)" CA 138 1.372 1 75 1 13 1 "RMS(OBS, PRED)" CB 118 1.589 1 76 1 13 1 "RMS(OBS, PRED)" H 129 0.696 1 77 1 13 1 "RMS(OBS, PRED)" HA 151 0.390 1 78 1 13 1 "RMS(OBS, PRED)" N 129 3.035 1 79 1 14 1 "RMS(OBS, PRED)" C 138 1.171 1 80 1 14 1 "RMS(OBS, PRED)" CA 138 1.345 1 81 1 14 1 "RMS(OBS, PRED)" CB 118 1.502 1 82 1 14 1 "RMS(OBS, PRED)" H 129 0.706 1 83 1 14 1 "RMS(OBS, PRED)" HA 151 0.397 1 84 1 14 1 "RMS(OBS, PRED)" N 129 2.726 1 85 1 15 1 "RMS(OBS, PRED)" C 138 1.126 1 86 1 15 1 "RMS(OBS, PRED)" CA 138 1.334 1 87 1 15 1 "RMS(OBS, PRED)" CB 118 1.535 1 88 1 15 1 "RMS(OBS, PRED)" H 129 0.683 1 89 1 15 1 "RMS(OBS, PRED)" HA 151 0.409 1 90 1 15 1 "RMS(OBS, PRED)" N 129 2.770 1 91 1 16 1 "RMS(OBS, PRED)" C 138 1.152 1 92 1 16 1 "RMS(OBS, PRED)" CA 138 1.283 1 93 1 16 1 "RMS(OBS, PRED)" CB 118 1.621 1 94 1 16 1 "RMS(OBS, PRED)" H 129 0.664 1 95 1 16 1 "RMS(OBS, PRED)" HA 151 0.395 1 96 1 16 1 "RMS(OBS, PRED)" N 129 2.839 1 97 1 17 1 "RMS(OBS, PRED)" C 138 1.146 1 98 1 17 1 "RMS(OBS, PRED)" CA 138 1.344 1 99 1 17 1 "RMS(OBS, PRED)" CB 118 1.583 1 100 1 17 1 "RMS(OBS, PRED)" H 129 0.646 1 101 1 17 1 "RMS(OBS, PRED)" HA 151 0.407 1 102 1 17 1 "RMS(OBS, PRED)" N 129 2.789 1 103 1 18 1 "RMS(OBS, PRED)" C 138 1.171 1 104 1 18 1 "RMS(OBS, PRED)" CA 138 1.308 1 105 1 18 1 "RMS(OBS, PRED)" CB 118 1.675 1 106 1 18 1 "RMS(OBS, PRED)" H 129 0.655 1 107 1 18 1 "RMS(OBS, PRED)" HA 151 0.411 1 108 1 18 1 "RMS(OBS, PRED)" N 129 2.868 1 109 1 19 1 "RMS(OBS, PRED)" C 138 1.179 1 110 1 19 1 "RMS(OBS, PRED)" CA 138 1.260 1 111 1 19 1 "RMS(OBS, PRED)" CB 118 1.713 1 112 1 19 1 "RMS(OBS, PRED)" H 129 0.660 1 113 1 19 1 "RMS(OBS, PRED)" HA 151 0.395 1 114 1 19 1 "RMS(OBS, PRED)" N 129 2.687 1 115 1 20 1 "RMS(OBS, PRED)" C 138 1.194 1 116 1 20 1 "RMS(OBS, PRED)" CA 138 1.272 1 117 1 20 1 "RMS(OBS, PRED)" CB 118 1.690 1 118 1 20 1 "RMS(OBS, PRED)" H 129 0.708 1 119 1 20 1 "RMS(OBS, PRED)" HA 151 0.408 1 120 1 20 1 "RMS(OBS, PRED)" N 129 2.839 1 121 1 21 1 "RMS(OBS, PRED)" C 138 1.155 1 122 1 21 1 "RMS(OBS, PRED)" CA 138 1.429 1 123 1 21 1 "RMS(OBS, PRED)" CB 118 1.662 1 124 1 21 1 "RMS(OBS, PRED)" H 129 0.675 1 125 1 21 1 "RMS(OBS, PRED)" HA 151 0.392 1 126 1 21 1 "RMS(OBS, PRED)" N 129 2.967 1 127 1 22 1 "RMS(OBS, PRED)" C 138 1.164 1 128 1 22 1 "RMS(OBS, PRED)" CA 138 1.277 1 129 1 22 1 "RMS(OBS, PRED)" CB 118 1.524 1 130 1 22 1 "RMS(OBS, PRED)" H 129 0.651 1 131 1 22 1 "RMS(OBS, PRED)" HA 151 0.396 1 132 1 22 1 "RMS(OBS, PRED)" N 129 3.005 1 133 1 23 1 "RMS(OBS, PRED)" C 138 1.099 1 134 1 23 1 "RMS(OBS, PRED)" CA 138 1.379 1 135 1 23 1 "RMS(OBS, PRED)" CB 118 1.539 1 136 1 23 1 "RMS(OBS, PRED)" H 129 0.648 1 137 1 23 1 "RMS(OBS, PRED)" HA 151 0.407 1 138 1 23 1 "RMS(OBS, PRED)" N 129 2.613 1 139 1 24 1 "RMS(OBS, PRED)" C 138 1.066 1 140 1 24 1 "RMS(OBS, PRED)" CA 138 1.381 1 141 1 24 1 "RMS(OBS, PRED)" CB 118 1.614 1 142 1 24 1 "RMS(OBS, PRED)" H 129 0.676 1 143 1 24 1 "RMS(OBS, PRED)" HA 151 0.404 1 144 1 24 1 "RMS(OBS, PRED)" N 129 2.772 1 145 1 25 1 "RMS(OBS, PRED)" C 138 1.183 1 146 1 25 1 "RMS(OBS, PRED)" CA 138 1.373 1 147 1 25 1 "RMS(OBS, PRED)" CB 118 1.698 1 148 1 25 1 "RMS(OBS, PRED)" H 129 0.702 1 149 1 25 1 "RMS(OBS, PRED)" HA 151 0.402 1 150 1 25 1 "RMS(OBS, PRED)" N 129 2.858 1 151 1 26 1 "RMS(OBS, PRED)" C 138 1.191 1 152 1 26 1 "RMS(OBS, PRED)" CA 138 1.330 1 153 1 26 1 "RMS(OBS, PRED)" CB 118 1.625 1 154 1 26 1 "RMS(OBS, PRED)" H 129 0.674 1 155 1 26 1 "RMS(OBS, PRED)" HA 151 0.381 1 156 1 26 1 "RMS(OBS, PRED)" N 129 2.648 1 157 1 27 1 "RMS(OBS, PRED)" C 138 1.177 1 158 1 27 1 "RMS(OBS, PRED)" CA 138 1.322 1 159 1 27 1 "RMS(OBS, PRED)" CB 118 1.605 1 160 1 27 1 "RMS(OBS, PRED)" H 129 0.717 1 161 1 27 1 "RMS(OBS, PRED)" HA 151 0.385 1 162 1 27 1 "RMS(OBS, PRED)" N 129 2.964 1 163 1 28 1 "RMS(OBS, PRED)" C 138 1.134 1 164 1 28 1 "RMS(OBS, PRED)" CA 138 1.244 1 165 1 28 1 "RMS(OBS, PRED)" CB 118 1.634 1 166 1 28 1 "RMS(OBS, PRED)" H 129 0.642 1 167 1 28 1 "RMS(OBS, PRED)" HA 151 0.356 1 168 1 28 1 "RMS(OBS, PRED)" N 129 2.914 1 169 1 29 1 "RMS(OBS, PRED)" C 138 1.213 1 170 1 29 1 "RMS(OBS, PRED)" CA 138 1.354 1 171 1 29 1 "RMS(OBS, PRED)" CB 118 1.690 1 172 1 29 1 "RMS(OBS, PRED)" H 129 0.691 1 173 1 29 1 "RMS(OBS, PRED)" HA 151 0.389 1 174 1 29 1 "RMS(OBS, PRED)" N 129 3.027 1 175 1 30 1 "RMS(OBS, PRED)" C 138 1.155 1 176 1 30 1 "RMS(OBS, PRED)" CA 138 1.376 1 177 1 30 1 "RMS(OBS, PRED)" CB 118 1.623 1 178 1 30 1 "RMS(OBS, PRED)" H 129 0.669 1 179 1 30 1 "RMS(OBS, PRED)" HA 151 0.396 1 180 1 30 1 "RMS(OBS, PRED)" N 129 2.821 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 4 . 1 1 A 2 2 SER H H 2 8.404 8.676 -0.272 2 1 5 . 1 1 A 2 2 SER HA H 2 4.430 4.727 -0.297 2 1 8 . 1 1 A 2 2 SER C C 2 174.220 173.316 0.904 2 1 9 . 1 1 A 2 2 SER CA C 2 58.650 58.107 0.543 2 1 10 . 1 1 A 2 2 SER CB C 2 64.280 64.190 0.090 2 1 11 . 1 1 A 2 2 SER N N 2 116.880 116.994 -0.114 2 1 12 . 1 1 A 3 3 ASP H H 3 8.314 8.604 -0.290 2 1 13 . 1 1 A 3 3 ASP HA H 3 4.594 4.908 -0.314 2 1 16 . 1 1 A 3 3 ASP C C 3 176.070 175.170 0.900 2 1 17 . 1 1 A 3 3 ASP CA C 3 54.580 53.499 1.081 2 1 18 . 1 1 A 3 3 ASP CB C 3 41.530 42.068 -0.538 2 1 19 . 1 1 A 3 3 ASP N N 3 122.210 123.695 -1.485 2 1 20 . 1 1 A 4 4 ASN H H 4 8.326 8.568 -0.242 2 1 21 . 1 1 A 4 4 ASN HA H 4 4.748 5.054 -0.306 2 1 24 . 1 1 A 4 4 ASN C C 4 175.130 174.502 0.628 2 1 25 . 1 1 A 4 4 ASN CA C 4 53.430 52.670 0.760 2 1 26 . 1 1 A 4 4 ASN CB C 4 38.920 40.106 -1.186 2 1 27 . 1 1 A 4 4 ASN N N 4 118.670 120.855 -2.185 2 1 28 . 1 1 A 5 5 ASN H H 5 8.467 8.742 -0.274 2 1 29 . 1 1 A 5 5 ASN HA H 5 4.702 5.065 -0.363 2 1 32 . 1 1 A 5 5 ASN C C 5 175.700 175.425 0.275 2 1 33 . 1 1 A 5 5 ASN CA C 5 53.610 52.503 1.107 2 1 34 . 1 1 A 5 5 ASN CB C 5 39.090 39.736 -0.646 2 1 35 . 1 1 A 5 5 ASN N N 5 119.070 121.945 -2.875 2 1 36 . 1 1 A 6 6 GLY H H 6 8.333 8.560 -0.227 2 1 37 . 1 1 A 6 6 GLY HA2 H 6 3.960 4.015 -0.055 2 1 38 . 1 1 A 6 6 GLY HA3 H 6 3.960 4.016 -0.056 2 1 39 . 1 1 A 6 6 GLY C C 6 174.050 173.252 0.798 2 1 40 . 1 1 A 6 6 GLY CA C 6 45.390 45.734 -0.344 2 1 41 . 1 1 A 6 6 GLY N N 6 109.000 110.014 -1.014 2 1 42 . 1 1 A 7 7 THR H H 7 8.076 8.268 -0.192 2 1 43 . 1 1 A 7 7 THR HA H 7 4.591 4.707 -0.116 2 1 48 . 1 1 A 7 7 THR C C 7 172.840 173.082 -0.242 2 1 49 . 1 1 A 7 7 THR CA C 7 60.050 59.390 0.660 2 1 50 . 1 1 A 7 7 THR N N 7 116.910 115.550 1.360 2 1 51 . 1 1 A 8 8 PRO HA H 8 4.414 4.596 -0.182 2 1 54 . 1 1 A 8 8 PRO C C 8 176.690 176.531 0.159 2 1 55 . 1 1 A 8 8 PRO CA C 8 63.090 62.662 0.428 2 1 56 . 1 1 A 8 8 PRO CB C 8 32.290 32.165 0.125 2 1 57 . 1 1 A 9 9 GLU H H 9 8.467 8.536 -0.069 2 1 58 . 1 1 A 9 9 GLU HA H 9 4.527 4.722 -0.195 2 1 63 . 1 1 A 9 9 GLU C C 9 174.680 174.927 -0.247 2 1 64 . 1 1 A 9 9 GLU CA C 9 54.550 53.924 0.626 2 1 65 . 1 1 A 9 9 GLU N N 9 122.910 120.917 1.993 2 1 66 . 1 1 A 10 10 PRO HA H 10 4.371 4.596 -0.225 2 1 71 . 1 1 A 10 10 PRO C C 10 176.820 176.137 0.683 2 1 72 . 1 1 A 10 10 PRO CA C 10 63.300 62.851 0.449 2 1 73 . 1 1 A 10 10 PRO CB C 10 32.290 32.003 0.287 2 1 74 . 1 1 A 11 11 GLN H H 11 8.543 8.528 0.015 2 1 75 . 1 1 A 11 11 GLN HA H 11 4.334 4.838 -0.504 2 1 82 . 1 1 A 11 11 GLN C C 11 176.010 174.812 1.198 2 1 83 . 1 1 A 11 11 GLN CA C 11 55.710 54.924 0.786 2 1 84 . 1 1 A 11 11 GLN CB C 11 29.520 31.229 -1.709 2 1 85 . 1 1 A 11 11 GLN N N 11 121.100 121.004 0.096 2 1 87 . 1 1 A 12 12 VAL H H 12 8.201 8.583 -0.382 2 1 88 . 1 1 A 12 12 VAL HA H 12 4.144 4.770 -0.626 2 1 96 . 1 1 A 12 12 VAL C C 12 175.940 174.903 1.037 2 1 97 . 1 1 A 12 12 VAL CA C 12 62.110 61.344 0.766 2 1 98 . 1 1 A 12 12 VAL CB C 12 32.800 33.239 -0.439 2 1 99 . 1 1 A 12 12 VAL N N 12 122.070 123.079 -1.009 2 1 100 . 1 1 A 13 13 GLU H H 13 8.593 8.775 -0.182 2 1 101 . 1 1 A 13 13 GLU HA H 13 4.329 4.823 -0.494 2 1 106 . 1 1 A 13 13 GLU C C 13 176.720 175.154 1.566 2 1 107 . 1 1 A 13 13 GLU CA C 13 56.830 54.896 1.934 2 1 108 . 1 1 A 13 13 GLU CB C 13 30.860 33.511 -2.651 2 1 109 . 1 1 A 13 13 GLU N N 13 124.660 126.714 -2.054 2 1 138 . 1 1 A 17 17 VAL H H 17 8.458 8.654 -0.196 2 1 139 . 1 1 A 17 17 VAL HA H 17 4.183 4.542 -0.358 2 1 147 . 1 1 A 17 17 VAL C C 17 175.950 175.468 0.482 2 1 148 . 1 1 A 17 17 VAL CA C 17 63.780 62.354 1.426 2 1 149 . 1 1 A 17 17 VAL CB C 17 32.460 31.775 0.685 2 1 150 . 1 1 A 17 17 VAL N N 17 124.860 125.131 -0.271 2 1 151 . 1 1 A 18 18 PHE H H 18 8.579 8.929 -0.350 2 1 152 . 1 1 A 18 18 PHE HA H 18 4.650 5.401 -0.751 2 1 160 . 1 1 A 18 18 PHE C C 18 173.450 174.195 -0.745 2 1 161 . 1 1 A 18 18 PHE CA C 18 57.480 55.805 1.675 2 1 162 . 1 1 A 18 18 PHE CB C 18 41.950 41.594 0.356 2 1 163 . 1 1 A 18 18 PHE N N 18 127.160 125.371 1.789 2 1 164 . 1 1 A 19 19 ARG H H 19 7.920 8.800 -0.880 2 1 165 . 1 1 A 19 19 ARG HA H 19 4.196 4.782 -0.586 2 1 170 . 1 1 A 19 19 ARG C C 19 174.930 175.477 -0.547 2 1 171 . 1 1 A 19 19 ARG CA C 19 54.800 55.183 -0.383 2 1 172 . 1 1 A 19 19 ARG CB C 19 30.610 31.378 -0.768 2 1 173 . 1 1 A 19 19 ARG N N 19 127.500 122.904 4.596 2 1 174 . 1 1 A 20 20 ALA H H 20 8.067 8.564 -0.497 2 1 175 . 1 1 A 20 20 ALA HA H 20 3.729 4.621 -0.892 2 1 179 . 1 1 A 20 20 ALA C C 20 177.630 177.766 -0.136 2 1 180 . 1 1 A 20 20 ALA CA C 20 53.280 51.348 1.932 2 1 181 . 1 1 A 20 20 ALA CB C 20 18.860 20.659 -1.799 2 1 182 . 1 1 A 20 20 ALA N N 20 126.460 126.884 -0.424 2 1 183 . 1 1 A 21 21 ASP H H 21 8.355 8.819 -0.464 2 1 184 . 1 1 A 21 21 ASP HA H 21 4.350 4.520 -0.170 2 1 187 . 1 1 A 21 21 ASP C C 21 176.720 177.505 -0.785 2 1 188 . 1 1 A 21 21 ASP CA C 21 54.480 55.533 -1.053 2 1 189 . 1 1 A 21 21 ASP CB C 21 40.350 40.460 -0.110 2 1 190 . 1 1 A 21 21 ASP N N 21 117.850 119.134 -1.284 2 1 191 . 1 1 A 22 22 LEU H H 22 7.705 7.834 -0.129 2 1 192 . 1 1 A 22 22 LEU HA H 22 4.088 4.019 0.070 2 1 202 . 1 1 A 22 22 LEU C C 22 177.760 178.378 -0.618 2 1 203 . 1 1 A 22 22 LEU CA C 22 55.780 57.480 -1.700 2 1 204 . 1 1 A 22 22 LEU CB C 22 41.860 41.366 0.494 2 1 205 . 1 1 A 22 22 LEU N N 22 121.600 118.705 2.895 2 1 206 . 1 1 A 23 23 LEU H H 23 7.717 7.761 -0.044 2 1 207 . 1 1 A 23 23 LEU HA H 23 4.166 4.029 0.137 2 1 217 . 1 1 A 23 23 LEU C C 23 177.840 178.486 -0.646 2 1 218 . 1 1 A 23 23 LEU CA C 23 55.960 57.463 -1.503 2 1 219 . 1 1 A 23 23 LEU CB C 23 41.950 41.362 0.588 2 1 220 . 1 1 A 23 23 LEU N N 23 120.360 119.628 0.732 2 1 221 . 1 1 A 24 24 LYS H H 24 7.933 7.970 -0.037 2 1 222 . 1 1 A 24 24 LYS HA H 24 4.174 4.077 0.097 2 1 229 . 1 1 A 24 24 LYS C C 24 177.190 178.709 -1.519 2 1 230 . 1 1 A 24 24 LYS CA C 24 57.050 59.036 -1.986 2 1 231 . 1 1 A 24 24 LYS CB C 24 32.880 32.299 0.581 2 1 232 . 1 1 A 24 24 LYS N N 24 121.120 119.140 1.980 2 1 233 . 1 1 A 25 25 GLU H H 25 8.160 8.102 0.058 2 1 234 . 1 1 A 25 25 GLU HA H 25 4.199 4.118 0.081 2 1 239 . 1 1 A 25 25 GLU C C 25 176.900 178.846 -1.946 2 1 240 . 1 1 A 25 25 GLU CA C 25 57.010 59.209 -2.199 2 1 241 . 1 1 A 25 25 GLU CB C 25 30.280 29.268 1.012 2 1 242 . 1 1 A 25 25 GLU N N 25 121.550 119.531 2.019 2 1 243 . 1 1 A 26 26 MET H H 26 8.270 8.092 0.178 2 1 244 . 1 1 A 26 26 MET HA H 26 4.360 4.172 0.188 2 1 252 . 1 1 A 26 26 MET C C 26 176.440 178.128 -1.688 2 1 253 . 1 1 A 26 26 MET CA C 26 56.180 58.193 -2.013 2 1 254 . 1 1 A 26 26 MET CB C 26 33.050 32.122 0.928 2 1 255 . 1 1 A 26 26 MET N N 26 120.730 119.075 1.655 2 1 256 . 1 1 A 27 27 GLU H H 27 8.297 7.979 0.318 2 1 257 . 1 1 A 27 27 GLU HA H 27 4.264 4.145 0.119 2 1 262 . 1 1 A 27 27 GLU C C 27 176.650 178.722 -2.072 2 1 263 . 1 1 A 27 27 GLU CA C 27 56.830 59.039 -2.209 2 1 264 . 1 1 A 27 27 GLU CB C 27 30.530 29.424 1.106 2 1 265 . 1 1 A 27 27 GLU N N 27 121.650 120.055 1.595 2 1 266 . 1 1 A 28 28 SER H H 28 8.279 8.024 0.255 2 1 267 . 1 1 A 28 28 SER HA H 28 4.473 4.262 0.211 2 1 270 . 1 1 A 28 28 SER C C 28 174.760 176.139 -1.379 2 1 271 . 1 1 A 28 28 SER CA C 28 58.460 61.284 -2.824 2 1 272 . 1 1 A 28 28 SER CB C 28 64.190 63.135 1.055 2 1 273 . 1 1 A 28 28 SER N N 28 116.610 116.691 -0.080 2 1 274 . 1 1 A 29 29 SER H H 29 8.443 7.786 0.657 2 1 275 . 1 1 A 29 29 SER HA H 29 4.541 4.373 0.168 2 1 278 . 1 1 A 29 29 SER C C 29 174.950 174.766 0.184 2 1 279 . 1 1 A 29 29 SER CA C 29 58.530 60.247 -1.717 2 1 280 . 1 1 A 29 29 SER CB C 29 64.190 63.574 0.616 2 1 281 . 1 1 A 29 29 SER N N 29 118.290 114.568 3.722 2 1 282 . 1 1 A 30 30 THR H H 30 8.220 7.548 0.672 2 1 283 . 1 1 A 30 30 THR HA H 30 4.372 4.157 0.215 2 1 288 . 1 1 A 30 30 THR C C 30 175.280 174.922 0.358 2 1 289 . 1 1 A 30 30 THR CA C 30 62.260 63.717 -1.457 2 1 290 . 1 1 A 30 30 THR CB C 30 69.900 67.871 2.029 2 1 291 . 1 1 A 30 30 THR N N 30 115.600 115.185 0.415 2 1 292 . 1 1 A 31 31 GLY H H 31 8.401 8.441 -0.040 2 1 293 . 1 1 A 31 31 GLY HA2 H 31 4.005 4.051 -0.046 2 1 294 . 1 1 A 31 31 GLY HA3 H 31 4.005 4.052 -0.047 2 1 295 . 1 1 A 31 31 GLY C C 31 174.160 173.367 0.793 2 1 296 . 1 1 A 31 31 GLY CA C 31 45.470 45.704 -0.234 2 1 297 . 1 1 A 31 31 GLY N N 31 111.270 112.834 -1.564 2 1 298 . 1 1 A 32 32 THR H H 32 8.034 8.093 -0.059 2 1 299 . 1 1 A 32 32 THR HA H 32 4.319 4.705 -0.386 2 1 304 . 1 1 A 32 32 THR C C 32 174.130 173.608 0.522 2 1 305 . 1 1 A 32 32 THR CA C 32 61.710 61.610 0.100 2 1 306 . 1 1 A 32 32 THR CB C 32 70.150 70.273 -0.123 2 1 307 . 1 1 A 32 32 THR N N 32 113.770 115.513 -1.743 2 1 308 . 1 1 A 33 33 ALA H H 33 8.410 8.710 -0.300 2 1 309 . 1 1 A 33 33 ALA HA H 33 4.581 4.738 -0.157 2 1 313 . 1 1 A 33 33 ALA C C 33 175.490 175.548 -0.058 2 1 314 . 1 1 A 33 33 ALA CA C 33 50.680 49.520 1.160 2 1 315 . 1 1 A 33 33 ALA N N 33 128.320 128.836 -0.516 2 1 316 . 1 1 A 34 34 PRO HA H 34 4.389 4.635 -0.246 2 1 321 . 1 1 A 34 34 PRO C C 34 176.650 176.326 0.324 2 1 322 . 1 1 A 34 34 PRO CA C 34 63.090 62.544 0.546 2 1 323 . 1 1 A 34 34 PRO CB C 34 32.210 32.318 -0.108 2 1 324 . 1 1 A 35 35 ALA H H 35 8.433 8.346 0.087 2 1 325 . 1 1 A 35 35 ALA HA H 35 4.275 4.784 -0.509 2 1 329 . 1 1 A 35 35 ALA C C 35 177.730 176.537 1.193 2 1 330 . 1 1 A 35 35 ALA CA C 35 52.590 51.120 1.470 2 1 331 . 1 1 A 35 35 ALA CB C 35 19.450 21.239 -1.789 2 1 332 . 1 1 A 35 35 ALA N N 35 124.330 123.702 0.628 2 1 333 . 1 1 A 36 36 SER H H 36 8.259 8.758 -0.499 2 1 334 . 1 1 A 36 36 SER HA H 36 4.474 4.953 -0.479 2 1 337 . 1 1 A 36 36 SER C C 36 174.860 173.920 0.940 2 1 338 . 1 1 A 36 36 SER CA C 36 58.130 57.817 0.313 2 1 339 . 1 1 A 36 36 SER CB C 36 64.190 64.344 -0.154 2 1 340 . 1 1 A 36 36 SER N N 36 114.560 116.886 -2.326 2 1 341 . 1 1 A 37 37 THR H H 37 8.325 8.525 -0.200 2 1 342 . 1 1 A 37 37 THR HA H 37 4.281 4.609 -0.328 2 1 346 . 1 1 A 37 37 THR C C 37 175.110 174.830 0.280 2 1 347 . 1 1 A 37 37 THR CA C 37 62.260 61.931 0.330 2 1 348 . 1 1 A 37 37 THR CB C 37 70.150 70.087 0.063 2 1 349 . 1 1 A 37 37 THR N N 37 115.300 118.269 -2.969 2 1 350 . 1 1 A 38 38 GLY H H 38 8.511 8.379 0.132 2 1 351 . 1 1 A 38 38 GLY HA2 H 38 3.975 4.044 -0.069 2 1 352 . 1 1 A 38 38 GLY HA3 H 38 3.809 4.050 -0.241 2 1 353 . 1 1 A 38 38 GLY C C 38 174.470 175.108 -0.638 2 1 354 . 1 1 A 38 38 GLY CA C 38 45.470 45.651 -0.181 2 1 355 . 1 1 A 38 38 GLY N N 38 110.440 111.772 -1.332 2 1 356 . 1 1 A 39 39 ALA H H 39 8.245 8.155 0.090 2 1 357 . 1 1 A 39 39 ALA HA H 39 4.164 4.175 -0.011 2 1 361 . 1 1 A 39 39 ALA C C 39 177.590 178.996 -1.406 2 1 362 . 1 1 A 39 39 ALA CA C 39 52.560 54.097 -1.537 2 1 363 . 1 1 A 39 39 ALA CB C 39 19.360 18.865 0.495 2 1 364 . 1 1 A 39 39 ALA N N 39 124.080 122.942 1.138 2 1 365 . 1 1 A 40 40 GLU H H 40 8.721 8.367 0.354 2 1 366 . 1 1 A 40 40 GLU HA H 40 4.083 4.223 -0.140 2 1 371 . 1 1 A 40 40 GLU C C 40 176.320 177.556 -1.236 2 1 372 . 1 1 A 40 40 GLU CA C 40 57.910 57.704 0.206 2 1 373 . 1 1 A 40 40 GLU CB C 40 29.520 28.896 0.624 2 1 374 . 1 1 A 40 40 GLU N N 40 118.270 116.495 1.775 2 1 375 . 1 1 A 41 41 ASN H H 41 8.226 7.860 0.366 2 1 376 . 1 1 A 41 41 ASN HA H 41 4.716 4.766 -0.050 2 1 381 . 1 1 A 41 41 ASN C C 41 174.800 175.007 -0.207 2 1 382 . 1 1 A 41 41 ASN CA C 41 52.880 54.182 -1.302 2 1 383 . 1 1 A 41 41 ASN CB C 41 38.840 39.143 -0.303 2 1 384 . 1 1 A 41 41 ASN N N 41 117.620 117.576 0.044 2 1 386 . 1 1 A 42 42 LEU H H 42 7.629 7.851 -0.222 2 1 387 . 1 1 A 42 42 LEU HA H 42 4.418 4.080 0.338 2 1 397 . 1 1 A 42 42 LEU C C 42 174.610 176.815 -2.205 2 1 398 . 1 1 A 42 42 LEU CA C 42 53.170 55.286 -2.116 2 1 399 . 1 1 A 42 42 LEU N N 42 123.010 117.520 5.490 2 1 400 . 1 1 A 43 43 PRO HA H 43 4.366 4.316 0.049 2 1 407 . 1 1 A 43 43 PRO C C 43 177.050 178.081 -1.031 2 1 408 . 1 1 A 43 43 PRO CA C 43 62.260 66.192 -3.933 2 1 409 . 1 1 A 43 43 PRO CB C 43 32.380 31.300 1.080 2 1 410 . 1 1 A 44 44 ALA H H 44 8.552 7.668 0.884 2 1 411 . 1 1 A 44 44 ALA HA H 44 4.223 4.365 -0.142 2 1 415 . 1 1 A 44 44 ALA C C 44 179.500 178.148 1.352 2 1 416 . 1 1 A 44 44 ALA CA C 44 53.250 51.984 1.266 2 1 417 . 1 1 A 44 44 ALA CB C 44 18.190 19.775 -1.585 2 1 418 . 1 1 A 44 44 ALA N N 44 125.070 118.177 6.893 2 1 419 . 1 1 A 45 45 GLY H H 45 8.897 8.882 0.015 2 1 420 . 1 1 A 45 45 GLY HA2 H 45 4.214 3.946 0.268 2 1 421 . 1 1 A 45 45 GLY HA3 H 45 3.833 3.981 -0.147 2 1 422 . 1 1 A 45 45 GLY C C 45 173.720 173.585 0.135 2 1 423 . 1 1 A 45 45 GLY CA C 45 45.790 45.582 0.208 2 1 424 . 1 1 A 45 45 GLY N N 45 110.600 108.955 1.645 2 1 425 . 1 1 A 46 46 SER H H 46 7.690 7.912 -0.222 2 1 426 . 1 1 A 46 46 SER HA H 46 5.338 5.221 0.117 2 1 429 . 1 1 A 46 46 SER C C 46 172.990 172.778 0.212 2 1 430 . 1 1 A 46 46 SER CA C 46 57.810 57.562 0.248 2 1 431 . 1 1 A 46 46 SER CB C 46 66.960 66.675 0.285 2 1 432 . 1 1 A 46 46 SER N N 46 114.180 116.144 -1.964 2 1 433 . 1 1 A 47 47 ALA H H 47 8.435 8.711 -0.276 2 1 434 . 1 1 A 47 47 ALA HA H 47 4.338 4.889 -0.551 2 1 438 . 1 1 A 47 47 ALA C C 47 173.840 175.816 -1.976 2 1 439 . 1 1 A 47 47 ALA CA C 47 51.690 51.056 0.634 2 1 440 . 1 1 A 47 47 ALA CB C 47 24.570 23.084 1.486 2 1 441 . 1 1 A 47 47 ALA N N 47 120.900 123.506 -2.606 2 1 442 . 1 1 A 48 48 LEU H H 48 8.673 8.489 0.184 2 1 443 . 1 1 A 48 48 LEU HA H 48 5.021 5.308 -0.287 2 1 453 . 1 1 A 48 48 LEU C C 48 174.680 175.310 -0.630 2 1 454 . 1 1 A 48 48 LEU CA C 48 53.350 52.669 0.681 2 1 455 . 1 1 A 48 48 LEU CB C 48 48.150 45.982 2.168 2 1 456 . 1 1 A 48 48 LEU N N 48 120.170 115.941 4.229 2 1 457 . 1 1 A 49 49 LEU H H 49 8.686 9.133 -0.448 2 1 458 . 1 1 A 49 49 LEU HA H 49 5.403 5.411 -0.008 2 1 468 . 1 1 A 49 49 LEU C C 49 176.170 175.057 1.113 2 1 469 . 1 1 A 49 49 LEU CA C 49 52.810 53.057 -0.247 2 1 470 . 1 1 A 49 49 LEU CB C 49 46.310 44.911 1.399 2 1 471 . 1 1 A 49 49 LEU N N 49 120.170 119.082 1.088 2 1 472 . 1 1 A 50 50 VAL H H 50 8.874 9.359 -0.485 2 1 473 . 1 1 A 50 50 VAL HA H 50 4.971 5.027 -0.056 2 1 481 . 1 1 A 50 50 VAL C C 50 176.740 174.526 2.214 2 1 482 . 1 1 A 50 50 VAL CA C 50 59.940 60.019 -0.079 2 1 483 . 1 1 A 50 50 VAL CB C 50 34.970 34.432 0.538 2 1 484 . 1 1 A 50 50 VAL N N 50 120.580 121.702 -1.122 2 1 485 . 1 1 A 51 51 VAL H H 51 8.984 9.239 -0.255 2 1 486 . 1 1 A 51 51 VAL HA H 51 4.155 4.088 0.067 2 1 494 . 1 1 A 51 51 VAL C C 51 176.050 175.972 0.078 2 1 495 . 1 1 A 51 51 VAL CA C 51 64.280 63.180 1.100 2 1 496 . 1 1 A 51 51 VAL CB C 51 31.280 31.382 -0.102 2 1 497 . 1 1 A 51 51 VAL N N 51 125.710 128.128 -2.418 2 1 498 . 1 1 A 52 52 LYS H H 52 9.444 9.269 0.175 2 1 499 . 1 1 A 52 52 LYS HA H 52 4.450 4.362 0.088 2 1 506 . 1 1 A 52 52 LYS C C 52 176.150 176.010 0.140 2 1 507 . 1 1 A 52 52 LYS CA C 52 57.050 57.448 -0.398 2 1 508 . 1 1 A 52 52 LYS CB C 52 34.470 33.809 0.661 2 1 509 . 1 1 A 52 52 LYS N N 52 132.750 129.321 3.429 2 1 510 . 1 1 A 53 53 ARG H H 53 8.051 7.566 0.485 2 1 511 . 1 1 A 53 53 ARG HA H 53 4.685 4.838 -0.153 2 1 516 . 1 1 A 53 53 ARG C C 53 173.470 174.769 -1.299 2 1 517 . 1 1 A 53 53 ARG CA C 53 55.090 55.333 -0.243 2 1 518 . 1 1 A 53 53 ARG CB C 53 34.300 34.087 0.213 2 1 519 . 1 1 A 53 53 ARG N N 53 117.320 118.718 -1.398 2 1 520 . 1 1 A 54 54 GLY H H 54 8.377 8.372 0.005 2 1 521 . 1 1 A 54 54 GLY HA2 H 54 4.215 3.856 0.359 2 1 522 . 1 1 A 54 54 GLY HA3 H 54 3.503 3.995 -0.492 2 1 523 . 1 1 A 54 54 GLY C C 54 171.870 174.285 -2.415 2 1 524 . 1 1 A 54 54 GLY CA C 54 43.770 44.226 -0.456 2 1 525 . 1 1 A 54 54 GLY N N 54 110.960 112.180 -1.220 2 1 526 . 1 1 A 55 55 PRO HA H 55 4.255 4.315 -0.060 2 1 531 . 1 1 A 55 55 PRO C C 55 175.940 177.482 -1.542 2 1 532 . 1 1 A 55 55 PRO CA C 55 64.390 64.877 -0.487 2 1 533 . 1 1 A 55 55 PRO CB C 55 31.360 31.883 -0.523 2 1 534 . 1 1 A 56 56 ASN H H 56 8.202 8.379 -0.177 2 1 535 . 1 1 A 56 56 ASN HA H 56 4.685 4.879 -0.194 2 1 540 . 1 1 A 56 56 ASN C C 56 174.410 175.187 -0.777 2 1 541 . 1 1 A 56 56 ASN CA C 56 52.120 52.610 -0.490 2 1 542 . 1 1 A 56 56 ASN CB C 56 37.070 38.258 -1.188 2 1 543 . 1 1 A 56 56 ASN N N 56 114.760 114.186 0.574 2 1 545 . 1 1 A 57 57 ALA H H 57 7.283 7.405 -0.122 2 1 546 . 1 1 A 57 57 ALA HA H 57 3.618 4.155 -0.537 2 1 550 . 1 1 A 57 57 ALA C C 57 178.090 178.379 -0.289 2 1 551 . 1 1 A 57 57 ALA CA C 57 54.480 53.738 0.742 2 1 552 . 1 1 A 57 57 ALA CB C 57 17.760 18.710 -0.950 2 1 553 . 1 1 A 57 57 ALA N N 57 120.380 123.303 -2.923 2 1 554 . 1 1 A 58 58 GLY H H 58 9.052 9.228 -0.176 2 1 555 . 1 1 A 58 58 GLY HA2 H 58 4.449 4.004 0.445 2 1 556 . 1 1 A 58 58 GLY HA3 H 58 3.415 4.006 -0.592 2 1 557 . 1 1 A 58 58 GLY C C 58 174.610 174.354 0.256 2 1 558 . 1 1 A 58 58 GLY CA C 58 44.530 45.022 -0.492 2 1 559 . 1 1 A 58 58 GLY N N 58 112.180 110.564 1.616 2 1 560 . 1 1 A 59 59 ALA H H 59 8.171 7.577 0.594 2 1 561 . 1 1 A 59 59 ALA HA H 59 4.081 4.334 -0.253 2 1 565 . 1 1 A 59 59 ALA C C 59 175.220 176.709 -1.489 2 1 566 . 1 1 A 59 59 ALA CA C 59 53.170 51.771 1.399 2 1 567 . 1 1 A 59 59 ALA CB C 59 19.360 19.929 -0.569 2 1 568 . 1 1 A 59 59 ALA N N 59 124.650 123.806 0.844 2 1 569 . 1 1 A 60 60 ARG H H 60 7.751 8.762 -1.011 2 1 570 . 1 1 A 60 60 ARG HA H 60 5.105 5.226 -0.121 2 1 575 . 1 1 A 60 60 ARG C C 60 175.320 174.588 0.732 2 1 576 . 1 1 A 60 60 ARG CA C 60 54.150 54.316 -0.166 2 1 577 . 1 1 A 60 60 ARG CB C 60 34.130 33.544 0.586 2 1 578 . 1 1 A 60 60 ARG N N 60 116.920 118.955 -2.035 2 1 579 . 1 1 A 61 61 PHE H H 61 9.213 9.284 -0.071 2 1 580 . 1 1 A 61 61 PHE HA H 61 4.788 5.080 -0.292 2 1 587 . 1 1 A 61 61 PHE C C 61 173.930 174.633 -0.703 2 1 588 . 1 1 A 61 61 PHE CA C 61 56.500 56.464 0.036 2 1 589 . 1 1 A 61 61 PHE CB C 61 41.860 42.277 -0.417 2 1 590 . 1 1 A 61 61 PHE N N 61 121.090 120.287 0.803 2 1 591 . 1 1 A 62 62 LEU H H 62 8.638 8.972 -0.334 2 1 592 . 1 1 A 62 62 LEU HA H 62 4.566 4.980 -0.414 2 1 602 . 1 1 A 62 62 LEU C C 62 176.570 175.364 1.206 2 1 603 . 1 1 A 62 62 LEU CA C 62 55.130 53.654 1.476 2 1 604 . 1 1 A 62 62 LEU CB C 62 43.620 44.071 -0.451 2 1 605 . 1 1 A 62 62 LEU N N 62 125.630 123.132 2.498 2 1 606 . 1 1 A 63 63 LEU H H 63 8.929 9.342 -0.413 2 1 607 . 1 1 A 63 63 LEU HA H 63 4.852 4.721 0.131 2 1 617 . 1 1 A 63 63 LEU C C 63 175.070 176.505 -1.435 2 1 618 . 1 1 A 63 63 LEU CA C 63 53.170 54.443 -1.273 2 1 619 . 1 1 A 63 63 LEU CB C 63 42.110 41.769 0.341 2 1 620 . 1 1 A 63 63 LEU N N 63 125.980 126.126 -0.146 2 1 621 . 1 1 A 64 64 ASP H H 64 8.601 8.965 -0.364 2 1 622 . 1 1 A 64 64 ASP HA H 64 4.736 4.979 -0.243 2 1 625 . 1 1 A 64 64 ASP C C 64 175.130 175.546 -0.416 2 1 626 . 1 1 A 64 64 ASP CA C 64 53.640 53.574 0.066 2 1 627 . 1 1 A 64 64 ASP CB C 64 41.020 42.258 -1.238 2 1 628 . 1 1 A 64 64 ASP N N 64 120.910 124.569 -3.659 2 1 629 . 1 1 A 65 65 GLN H H 65 7.497 7.562 -0.065 2 1 630 . 1 1 A 65 65 GLN HA H 65 4.856 4.775 0.081 2 1 637 . 1 1 A 65 65 GLN C C 65 173.550 175.463 -1.913 2 1 638 . 1 1 A 65 65 GLN CA C 65 52.780 53.443 -0.663 2 1 639 . 1 1 A 65 65 GLN N N 65 117.420 116.613 0.807 2 1 641 . 1 1 A 66 66 PRO HA H 66 4.190 4.614 -0.424 2 1 648 . 1 1 A 66 66 PRO C C 66 177.400 176.652 0.748 2 1 649 . 1 1 A 66 66 PRO CA C 66 66.810 64.601 2.209 2 1 650 . 1 1 A 66 66 PRO CB C 66 32.370 32.073 0.297 2 1 651 . 1 1 A 67 67 THR H H 67 7.647 7.494 0.153 2 1 652 . 1 1 A 67 67 THR HA H 67 4.811 5.218 -0.407 2 1 657 . 1 1 A 67 67 THR C C 67 173.280 173.186 0.094 2 1 658 . 1 1 A 67 67 THR CA C 67 62.830 61.235 1.595 2 1 659 . 1 1 A 67 67 THR CB C 67 71.740 71.694 0.046 2 1 660 . 1 1 A 67 67 THR N N 67 109.270 112.294 -3.024 2 1 661 . 1 1 A 68 68 THR H H 68 8.919 9.429 -0.510 2 1 662 . 1 1 A 68 68 THR HA H 68 4.968 5.073 -0.105 2 1 667 . 1 1 A 68 68 THR C C 68 175.090 173.796 1.294 2 1 668 . 1 1 A 68 68 THR CA C 68 61.820 61.887 -0.067 2 1 669 . 1 1 A 68 68 THR CB C 68 70.730 70.681 0.049 2 1 670 . 1 1 A 68 68 THR N N 68 125.610 123.289 2.321 2 1 671 . 1 1 A 69 69 THR H H 69 10.398 8.934 1.464 2 1 672 . 1 1 A 69 69 THR HA H 69 4.491 4.893 -0.402 2 1 677 . 1 1 A 69 69 THR C C 69 173.140 173.989 -0.849 2 1 678 . 1 1 A 69 69 THR CA C 69 61.790 61.554 0.236 2 1 679 . 1 1 A 69 69 THR CB C 69 70.820 70.377 0.443 2 1 680 . 1 1 A 69 69 THR N N 69 121.520 121.865 -0.345 2 1 681 . 1 1 A 70 70 ALA H H 70 8.722 8.981 -0.259 2 1 682 . 1 1 A 70 70 ALA HA H 70 5.696 5.470 0.226 2 1 686 . 1 1 A 70 70 ALA C C 70 175.840 176.156 -0.317 2 1 687 . 1 1 A 70 70 ALA CA C 70 50.030 50.442 -0.412 2 1 688 . 1 1 A 70 70 ALA CB C 70 22.300 22.581 -0.281 2 1 689 . 1 1 A 70 70 ALA N N 70 122.410 127.351 -4.941 2 1 690 . 1 1 A 71 71 GLY H H 71 8.430 8.026 0.404 2 1 691 . 1 1 A 71 71 GLY HA2 H 71 4.474 4.158 0.316 2 1 692 . 1 1 A 71 71 GLY HA3 H 71 3.903 4.214 -0.311 2 1 693 . 1 1 A 71 71 GLY C C 71 170.540 171.583 -1.043 2 1 694 . 1 1 A 71 71 GLY CA C 71 46.300 45.229 1.071 2 1 695 . 1 1 A 71 71 GLY N N 71 108.960 107.865 1.095 2 1 696 . 1 1 A 72 72 ARG H H 72 8.341 8.672 -0.331 2 1 697 . 1 1 A 72 72 ARG HA H 72 4.481 4.909 -0.428 2 1 702 . 1 1 A 72 72 ARG C C 72 175.720 175.193 0.527 2 1 703 . 1 1 A 72 72 ARG CA C 72 54.800 55.076 -0.276 2 1 704 . 1 1 A 72 72 ARG CB C 72 32.540 32.346 0.194 2 1 705 . 1 1 A 72 72 ARG N N 72 120.930 121.190 -0.260 2 1 706 . 1 1 A 73 73 HIS H H 73 9.295 8.712 0.583 2 1 707 . 1 1 A 73 73 HIS HA H 73 4.403 4.922 -0.519 2 1 712 . 1 1 A 73 73 HIS C C 73 176.860 174.781 2.079 2 1 713 . 1 1 A 73 73 HIS CA C 73 57.050 55.807 1.243 2 1 714 . 1 1 A 73 73 HIS N N 73 125.290 121.245 4.045 2 1 715 . 1 1 A 74 74 PRO HA H 74 4.373 4.372 0.000 2 1 722 . 1 1 A 74 74 PRO C C 74 177.590 177.484 0.106 2 1 723 . 1 1 A 74 74 PRO CA C 74 64.930 64.748 0.182 2 1 724 . 1 1 A 74 74 PRO CB C 74 32.030 31.851 0.179 2 1 725 . 1 1 A 75 75 GLU H H 75 10.575 8.589 1.986 2 1 726 . 1 1 A 75 75 GLU HA H 75 4.352 4.291 0.061 2 1 731 . 1 1 A 75 75 GLU C C 75 177.320 176.650 0.670 2 1 732 . 1 1 A 75 75 GLU CA C 75 56.070 57.329 -1.259 2 1 733 . 1 1 A 75 75 GLU CB C 75 29.010 29.684 -0.674 2 1 734 . 1 1 A 75 75 GLU N N 75 119.840 117.399 2.441 2 1 735 . 1 1 A 76 76 SER H H 76 8.236 7.621 0.615 2 1 736 . 1 1 A 76 76 SER HA H 76 4.100 4.539 -0.439 2 1 739 . 1 1 A 76 76 SER C C 76 173.120 174.193 -1.073 2 1 740 . 1 1 A 76 76 SER CA C 76 60.160 59.143 1.017 2 1 741 . 1 1 A 76 76 SER CB C 76 65.530 63.858 1.672 2 1 742 . 1 1 A 76 76 SER N N 76 118.860 115.982 2.878 2 1 743 . 1 1 A 77 77 ASP H H 77 8.541 8.812 -0.271 2 1 744 . 1 1 A 77 77 ASP HA H 77 4.344 4.437 -0.093 2 1 747 . 1 1 A 77 77 ASP C C 77 177.590 176.002 1.588 2 1 748 . 1 1 A 77 77 ASP CA C 77 58.380 56.837 1.543 2 1 749 . 1 1 A 77 77 ASP CB C 77 42.110 41.032 1.078 2 1 750 . 1 1 A 77 77 ASP N N 77 126.720 124.471 2.249 2 1 751 . 1 1 A 78 78 ILE H H 78 8.571 7.777 0.794 2 1 752 . 1 1 A 78 78 ILE HA H 78 3.563 4.024 -0.461 2 1 762 . 1 1 A 78 78 ILE C C 78 172.930 174.443 -1.513 2 1 763 . 1 1 A 78 78 ILE CA C 78 60.880 59.958 0.922 2 1 764 . 1 1 A 78 78 ILE CB C 78 37.410 38.687 -1.277 2 1 765 . 1 1 A 78 78 ILE N N 78 120.210 116.925 3.285 2 1 766 . 1 1 A 79 79 PHE H H 79 8.018 8.902 -0.884 2 1 767 . 1 1 A 79 79 PHE HA H 79 5.018 4.906 0.112 2 1 775 . 1 1 A 79 79 PHE C C 79 174.130 173.900 0.230 2 1 776 . 1 1 A 79 79 PHE CA C 79 55.780 56.389 -0.609 2 1 777 . 1 1 A 79 79 PHE CB C 79 39.170 40.379 -1.208 2 1 778 . 1 1 A 79 79 PHE N N 79 127.300 127.920 -0.620 2 1 779 . 1 1 A 80 80 LEU H H 80 7.695 8.656 -0.961 2 1 780 . 1 1 A 80 80 LEU HA H 80 3.619 4.895 -1.276 2 1 790 . 1 1 A 80 80 LEU C C 80 173.720 174.604 -0.884 2 1 791 . 1 1 A 80 80 LEU CA C 80 52.340 53.114 -0.774 2 1 792 . 1 1 A 80 80 LEU CB C 80 41.770 44.476 -2.706 2 1 793 . 1 1 A 80 80 LEU N N 80 131.810 128.020 3.790 2 1 794 . 1 1 A 81 81 ASP H H 81 7.974 8.864 -0.890 2 1 795 . 1 1 A 81 81 ASP HA H 81 4.141 5.103 -0.962 2 1 798 . 1 1 A 81 81 ASP C C 81 175.130 174.539 0.591 2 1 799 . 1 1 A 81 81 ASP CA C 81 53.210 52.920 0.290 2 1 800 . 1 1 A 81 81 ASP CB C 81 39.930 43.152 -3.222 2 1 801 . 1 1 A 81 81 ASP N N 81 121.130 124.700 -3.570 2 1 802 . 1 1 A 82 82 ASP H H 82 7.583 8.579 -0.996 2 1 803 . 1 1 A 82 82 ASP HA H 82 4.859 5.071 -0.212 2 1 806 . 1 1 A 82 82 ASP C C 82 176.760 175.933 0.827 2 1 807 . 1 1 A 82 82 ASP CA C 82 54.980 52.754 2.226 2 1 808 . 1 1 A 82 82 ASP CB C 82 39.170 43.625 -4.455 2 1 809 . 1 1 A 82 82 ASP N N 82 121.540 125.206 -3.666 2 1 810 . 1 1 A 83 83 VAL H H 83 8.344 8.479 -0.135 2 1 811 . 1 1 A 83 83 VAL HA H 83 4.012 3.896 0.116 2 1 819 . 1 1 A 83 83 VAL C C 83 174.860 176.211 -1.351 2 1 820 . 1 1 A 83 83 VAL CA C 83 65.330 64.839 0.491 2 1 821 . 1 1 A 83 83 VAL CB C 83 31.530 32.102 -0.572 2 1 822 . 1 1 A 83 83 VAL N N 83 122.260 120.860 1.400 2 1 823 . 1 1 A 84 84 THR H H 84 8.268 7.852 0.416 2 1 824 . 1 1 A 84 84 THR HA H 84 4.540 4.682 -0.142 2 1 828 . 1 1 A 84 84 THR C C 84 175.360 173.410 1.950 2 1 829 . 1 1 A 84 84 THR CA C 84 63.810 61.184 2.626 2 1 830 . 1 1 A 84 84 THR CB C 84 70.900 70.649 0.251 2 1 831 . 1 1 A 84 84 THR N N 84 110.620 113.613 -2.993 2 1 832 . 1 1 A 85 85 VAL H H 85 8.579 8.718 -0.139 2 1 833 . 1 1 A 85 85 VAL HA H 85 4.254 4.412 -0.158 2 1 841 . 1 1 A 85 85 VAL C C 85 177.070 175.151 1.919 2 1 842 . 1 1 A 85 85 VAL CA C 85 61.930 61.952 -0.022 2 1 843 . 1 1 A 85 85 VAL CB C 85 32.450 32.056 0.394 2 1 844 . 1 1 A 85 85 VAL N N 85 126.860 125.884 0.976 2 1 845 . 1 1 A 86 86 SER H H 86 11.668 8.812 2.856 2 1 846 . 1 1 A 86 86 SER HA H 86 5.203 4.822 0.381 2 1 849 . 1 1 A 86 86 SER C C 86 175.470 175.154 0.316 2 1 850 . 1 1 A 86 86 SER CA C 86 61.600 57.606 3.994 2 1 851 . 1 1 A 86 86 SER CB C 86 64.270 63.529 0.741 2 1 852 . 1 1 A 86 86 SER N N 86 128.670 123.312 5.358 2 1 853 . 1 1 A 87 87 ARG H H 87 10.946 8.573 2.373 2 1 854 . 1 1 A 87 87 ARG HA H 87 5.179 4.223 0.956 2 1 862 . 1 1 A 87 87 ARG C C 87 177.110 176.197 0.913 2 1 863 . 1 1 A 87 87 ARG CA C 87 60.810 58.651 2.159 2 1 864 . 1 1 A 87 87 ARG CB C 87 29.010 29.947 -0.937 2 1 865 . 1 1 A 87 87 ARG N N 87 126.810 123.828 2.982 2 1 867 . 1 1 A 88 88 ARG H H 88 7.946 7.767 0.179 2 1 868 . 1 1 A 88 88 ARG HA H 88 4.459 4.652 -0.193 2 1 876 . 1 1 A 88 88 ARG C C 88 172.990 175.713 -2.723 2 1 877 . 1 1 A 88 88 ARG CA C 88 55.060 54.909 0.151 2 1 878 . 1 1 A 88 88 ARG CB C 88 29.770 32.025 -2.255 2 1 879 . 1 1 A 88 88 ARG N N 88 115.670 118.563 -2.893 2 1 881 . 1 1 A 89 89 HIS H H 89 7.613 8.801 -1.188 2 1 882 . 1 1 A 89 89 HIS HA H 89 4.437 4.601 -0.164 2 1 888 . 1 1 A 89 89 HIS C C 89 174.050 174.884 -0.834 2 1 889 . 1 1 A 89 89 HIS CA C 89 58.420 58.114 0.306 2 1 890 . 1 1 A 89 89 HIS CB C 89 32.620 31.701 0.919 2 1 891 . 1 1 A 89 89 HIS N N 89 124.000 124.568 -0.568 2 1 893 . 1 1 A 90 90 ALA H H 90 8.454 7.334 1.120 2 1 894 . 1 1 A 90 90 ALA HA H 90 5.529 4.537 0.992 2 1 898 . 1 1 A 90 90 ALA C C 90 176.260 174.895 1.365 2 1 899 . 1 1 A 90 90 ALA CA C 90 50.240 51.180 -0.940 2 1 900 . 1 1 A 90 90 ALA CB C 90 23.220 22.673 0.547 2 1 901 . 1 1 A 90 90 ALA N N 90 116.480 118.200 -1.720 2 1 902 . 1 1 A 91 91 GLU H H 91 9.216 8.984 0.232 2 1 903 . 1 1 A 91 91 GLU HA H 91 4.931 5.067 -0.136 2 1 908 . 1 1 A 91 91 GLU C C 91 173.910 174.456 -0.546 2 1 909 . 1 1 A 91 91 GLU CA C 91 54.690 54.628 0.062 2 1 910 . 1 1 A 91 91 GLU CB C 91 34.720 33.231 1.489 2 1 911 . 1 1 A 91 91 GLU N N 91 118.140 117.965 0.175 2 1 912 . 1 1 A 92 92 PHE H H 92 9.330 9.498 -0.168 2 1 913 . 1 1 A 92 92 PHE HA H 92 5.502 5.322 0.180 2 1 921 . 1 1 A 92 92 PHE C C 92 176.650 174.914 1.736 2 1 922 . 1 1 A 92 92 PHE CA C 92 56.760 56.722 0.038 2 1 923 . 1 1 A 92 92 PHE CB C 92 41.690 40.678 1.012 2 1 924 . 1 1 A 92 92 PHE N N 92 119.490 122.293 -2.803 2 1 925 . 1 1 A 93 93 ARG H H 93 9.846 9.320 0.526 2 1 926 . 1 1 A 93 93 ARG HA H 93 5.610 5.133 0.477 2 1 934 . 1 1 A 93 93 ARG C C 93 175.010 175.015 -0.005 2 1 935 . 1 1 A 93 93 ARG CA C 93 54.580 54.853 -0.273 2 1 936 . 1 1 A 93 93 ARG CB C 93 34.220 32.795 1.425 2 1 937 . 1 1 A 93 93 ARG N N 93 127.300 123.458 3.842 2 1 939 . 1 1 A 94 94 ILE H H 94 8.521 9.226 -0.705 2 1 940 . 1 1 A 94 94 ILE HA H 94 4.410 4.985 -0.575 2 1 950 . 1 1 A 94 94 ILE C C 94 176.420 174.622 1.798 2 1 951 . 1 1 A 94 94 ILE CA C 94 61.130 60.137 0.993 2 1 952 . 1 1 A 94 94 ILE CB C 94 38.830 38.923 -0.093 2 1 953 . 1 1 A 94 94 ILE N N 94 121.680 125.101 -3.421 2 1 954 . 1 1 A 95 95 ASN H H 95 8.847 9.004 -0.157 2 1 955 . 1 1 A 95 95 ASN HA H 95 4.796 5.115 -0.319 2 1 960 . 1 1 A 95 95 ASN C C 95 174.430 174.442 -0.012 2 1 961 . 1 1 A 95 95 ASN CA C 95 52.560 52.134 0.426 2 1 962 . 1 1 A 95 95 ASN CB C 95 40.510 40.951 -0.441 2 1 963 . 1 1 A 95 95 ASN N N 95 127.100 124.938 2.162 2 1 965 . 1 1 A 96 96 GLU H H 96 9.303 9.437 -0.134 2 1 966 . 1 1 A 96 96 GLU HA H 96 3.768 4.003 -0.235 2 1 971 . 1 1 A 96 96 GLU C C 96 176.280 176.338 -0.058 2 1 972 . 1 1 A 96 96 GLU CA C 96 57.150 57.521 -0.371 2 1 973 . 1 1 A 96 96 GLU CB C 96 27.590 28.043 -0.453 2 1 974 . 1 1 A 96 96 GLU N N 96 125.150 125.317 -0.167 2 1 975 . 1 1 A 97 97 GLY H H 97 7.937 8.476 -0.539 2 1 976 . 1 1 A 97 97 GLY HA2 H 97 4.042 3.682 0.360 2 1 977 . 1 1 A 97 97 GLY HA3 H 97 3.450 3.775 -0.325 2 1 978 . 1 1 A 97 97 GLY C C 97 172.990 173.529 -0.538 2 1 979 . 1 1 A 97 97 GLY CA C 97 45.390 45.214 0.176 2 1 980 . 1 1 A 97 97 GLY N N 97 104.330 104.629 -0.299 2 1 981 . 1 1 A 98 98 GLU H H 98 7.557 7.920 -0.363 2 1 982 . 1 1 A 98 98 GLU HA H 98 4.591 4.623 -0.032 2 1 987 . 1 1 A 98 98 GLU C C 98 174.530 175.596 -1.066 2 1 988 . 1 1 A 98 98 GLU CA C 98 54.770 54.944 -0.174 2 1 989 . 1 1 A 98 98 GLU CB C 98 32.290 31.581 0.709 2 1 990 . 1 1 A 98 98 GLU N N 98 119.350 119.956 -0.606 2 1 991 . 1 1 A 99 99 PHE H H 99 9.412 9.082 0.330 2 1 992 . 1 1 A 99 99 PHE HA H 99 5.007 5.277 -0.270 2 1 999 . 1 1 A 99 99 PHE C C 99 174.050 175.173 -1.123 2 1 1000 . 1 1 A 99 99 PHE CA C 99 57.260 56.819 0.441 2 1 1001 . 1 1 A 99 99 PHE CB C 99 42.110 41.007 1.103 2 1 1002 . 1 1 A 99 99 PHE N N 99 122.550 121.522 1.028 2 1 1003 . 1 1 A 100 100 GLU H H 100 9.444 9.525 -0.081 2 1 1004 . 1 1 A 100 100 GLU HA H 100 5.145 5.158 -0.013 2 1 1009 . 1 1 A 100 100 GLU C C 100 175.340 174.796 0.544 2 1 1010 . 1 1 A 100 100 GLU CA C 100 54.080 54.741 -0.661 2 1 1011 . 1 1 A 100 100 GLU CB C 100 34.720 33.028 1.692 2 1 1012 . 1 1 A 100 100 GLU N N 100 124.080 121.169 2.911 2 1 1013 . 1 1 A 101 101 VAL H H 101 8.726 9.191 -0.465 2 1 1014 . 1 1 A 101 101 VAL HA H 101 4.900 4.635 0.265 2 1 1022 . 1 1 A 101 101 VAL C C 101 172.510 175.011 -2.501 2 1 1023 . 1 1 A 101 101 VAL CA C 101 58.710 61.344 -2.634 2 1 1024 . 1 1 A 101 101 VAL CB C 101 33.550 33.108 0.442 2 1 1025 . 1 1 A 101 101 VAL N N 101 124.500 124.142 0.358 2 1 1026 . 1 1 A 102 102 VAL H H 102 8.719 9.262 -0.543 2 1 1027 . 1 1 A 102 102 VAL HA H 102 4.578 4.726 -0.148 2 1 1035 . 1 1 A 102 102 VAL C C 102 175.380 174.103 1.277 2 1 1036 . 1 1 A 102 102 VAL CA C 102 60.370 60.301 0.069 2 1 1037 . 1 1 A 102 102 VAL CB C 102 36.060 34.359 1.701 2 1 1038 . 1 1 A 102 102 VAL N N 102 125.900 125.631 0.269 2 1 1039 . 1 1 A 103 103 ASP H H 103 8.626 9.275 -0.649 2 1 1040 . 1 1 A 103 103 ASP HA H 103 4.856 4.673 0.183 2 1 1043 . 1 1 A 103 103 ASP C C 103 177.300 176.780 0.520 2 1 1044 . 1 1 A 103 103 ASP CA C 103 54.580 53.908 0.672 2 1 1045 . 1 1 A 103 103 ASP CB C 103 44.210 41.932 2.278 2 1 1046 . 1 1 A 103 103 ASP N N 103 127.250 126.975 0.275 2 1 1047 . 1 1 A 104 104 VAL H H 104 7.890 8.647 -0.757 2 1 1048 . 1 1 A 104 104 VAL HA H 104 4.527 4.449 0.078 2 1 1056 . 1 1 A 104 104 VAL C C 104 174.490 175.943 -1.453 2 1 1057 . 1 1 A 104 104 VAL CA C 104 60.630 61.180 -0.550 2 1 1058 . 1 1 A 104 104 VAL CB C 104 29.350 32.790 -3.440 2 1 1059 . 1 1 A 104 104 VAL N N 104 119.270 120.356 -1.086 2 1 1060 . 1 1 A 105 105 GLY H H 105 8.690 7.586 1.104 2 1 1061 . 1 1 A 105 105 GLY HA2 H 105 4.270 4.014 0.256 2 1 1062 . 1 1 A 105 105 GLY HA3 H 105 3.685 4.046 -0.361 2 1 1063 . 1 1 A 105 105 GLY C C 105 175.490 174.395 1.095 2 1 1064 . 1 1 A 105 105 GLY CA C 105 45.650 45.681 -0.031 2 1 1065 . 1 1 A 105 105 GLY N N 105 111.790 110.397 1.393 2 1 1066 . 1 1 A 106 106 SER H H 106 9.218 8.459 0.759 2 1 1067 . 1 1 A 106 106 SER HA H 106 3.894 4.334 -0.440 2 1 1070 . 1 1 A 106 106 SER C C 106 174.590 174.934 -0.344 2 1 1071 . 1 1 A 106 106 SER CA C 106 58.600 59.564 -0.964 2 1 1072 . 1 1 A 106 106 SER CB C 106 61.250 62.410 -1.160 2 1 1073 . 1 1 A 106 106 SER N N 106 121.540 117.134 4.406 2 1 1074 . 1 1 A 107 107 LEU H H 107 8.018 8.009 0.009 2 1 1075 . 1 1 A 107 107 LEU HA H 107 4.240 4.103 0.137 2 1 1085 . 1 1 A 107 107 LEU C C 107 179.420 178.059 1.361 2 1 1086 . 1 1 A 107 107 LEU CA C 107 57.590 57.150 0.440 2 1 1087 . 1 1 A 107 107 LEU CB C 107 42.360 41.829 0.531 2 1 1088 . 1 1 A 107 107 LEU N N 107 121.520 122.286 -0.766 2 1 1089 . 1 1 A 108 108 ASN H H 108 8.799 7.732 1.067 2 1 1090 . 1 1 A 108 108 ASN HA H 108 4.986 4.597 0.389 2 1 1093 . 1 1 A 108 108 ASN C C 108 175.950 175.680 0.270 2 1 1094 . 1 1 A 108 108 ASN CA C 108 54.440 52.989 1.451 2 1 1095 . 1 1 A 108 108 ASN CB C 108 41.180 39.253 1.927 2 1 1096 . 1 1 A 108 108 ASN N N 108 111.800 115.143 -3.343 2 1 1097 . 1 1 A 109 109 GLY H H 109 8.025 7.739 0.286 2 1 1098 . 1 1 A 109 109 GLY HA2 H 109 4.237 3.775 0.462 2 1 1099 . 1 1 A 109 109 GLY HA3 H 109 3.621 3.872 -0.251 2 1 1100 . 1 1 A 109 109 GLY C C 109 173.820 174.078 -0.258 2 1 1101 . 1 1 A 109 109 GLY CA C 109 44.340 45.621 -1.281 2 1 1102 . 1 1 A 109 109 GLY N N 109 110.600 107.426 3.174 2 1 1103 . 1 1 A 110 110 THR H H 110 8.770 8.320 0.450 2 1 1104 . 1 1 A 110 110 THR HA H 110 4.797 4.457 0.340 2 1 1109 . 1 1 A 110 110 THR C C 110 172.570 173.778 -1.208 2 1 1110 . 1 1 A 110 110 THR CA C 110 64.540 63.209 1.331 2 1 1111 . 1 1 A 110 110 THR CB C 110 70.230 69.148 1.082 2 1 1112 . 1 1 A 110 110 THR N N 110 121.240 116.605 4.635 2 1 1113 . 1 1 A 111 111 TYR H H 111 8.272 9.102 -0.830 2 1 1114 . 1 1 A 111 111 TYR HA H 111 5.155 5.404 -0.249 2 1 1121 . 1 1 A 111 111 TYR C C 111 175.860 174.924 0.936 2 1 1122 . 1 1 A 111 111 TYR CA C 111 55.820 56.659 -0.839 2 1 1123 . 1 1 A 111 111 TYR CB C 111 41.100 41.734 -0.634 2 1 1124 . 1 1 A 111 111 TYR N N 111 123.680 125.783 -2.103 2 1 1125 . 1 1 A 112 112 VAL H H 112 9.017 9.215 -0.198 2 1 1126 . 1 1 A 112 112 VAL HA H 112 4.951 4.655 0.296 2 1 1134 . 1 1 A 112 112 VAL C C 112 176.780 176.153 0.627 2 1 1135 . 1 1 A 112 112 VAL CA C 112 61.130 61.076 0.054 2 1 1136 . 1 1 A 112 112 VAL CB C 112 32.870 34.057 -1.187 2 1 1137 . 1 1 A 112 112 VAL N N 112 121.300 123.169 -1.869 2 1 1138 . 1 1 A 113 113 ASN H H 113 10.285 9.769 0.516 2 1 1139 . 1 1 A 113 113 ASN HA H 113 4.483 4.481 0.002 2 1 1144 . 1 1 A 113 113 ASN C C 113 174.590 174.414 0.176 2 1 1145 . 1 1 A 113 113 ASN CA C 113 55.160 54.617 0.543 2 1 1146 . 1 1 A 113 113 ASN CB C 113 37.240 36.976 0.264 2 1 1147 . 1 1 A 113 113 ASN N N 113 129.510 127.260 2.250 2 1 1149 . 1 1 A 114 114 ARG H H 114 9.459 8.498 0.961 2 1 1150 . 1 1 A 114 114 ARG HA H 114 3.659 3.878 -0.219 2 1 1158 . 1 1 A 114 114 ARG C C 114 174.900 174.739 0.161 2 1 1159 . 1 1 A 114 114 ARG CA C 114 58.280 57.680 0.600 2 1 1160 . 1 1 A 114 114 ARG CB C 114 27.250 27.773 -0.523 2 1 1161 . 1 1 A 114 114 ARG N N 114 106.570 110.359 -3.789 2 1 1163 . 1 1 A 115 115 GLU H H 115 7.827 7.883 -0.056 2 1 1164 . 1 1 A 115 115 GLU HA H 115 5.153 4.804 0.349 2 1 1169 . 1 1 A 115 115 GLU C C 115 173.950 174.238 -0.288 2 1 1170 . 1 1 A 115 115 GLU CA C 115 52.990 52.974 0.016 2 1 1171 . 1 1 A 115 115 GLU N N 115 119.780 118.539 1.241 2 1 1172 . 1 1 A 116 116 PRO HA H 116 3.983 4.547 -0.564 2 1 1177 . 1 1 A 116 116 PRO C C 116 177.780 175.444 2.336 2 1 1178 . 1 1 A 116 116 PRO CA C 116 62.910 63.017 -0.107 2 1 1179 . 1 1 A 116 116 PRO CB C 116 31.200 31.815 -0.615 2 1 1180 . 1 1 A 117 117 ARG H H 117 8.414 8.566 -0.152 2 1 1181 . 1 1 A 117 117 ARG HA H 117 4.699 4.704 -0.005 2 1 1189 . 1 1 A 117 117 ARG C C 117 175.260 175.349 -0.089 2 1 1190 . 1 1 A 117 117 ARG CA C 117 52.990 54.858 -1.868 2 1 1191 . 1 1 A 117 117 ARG CB C 117 24.560 33.594 -9.034 2 1 1192 . 1 1 A 117 117 ARG N N 117 121.900 123.567 -1.667 2 1 1194 . 1 1 A 118 118 ASN H H 118 8.741 8.781 -0.040 2 1 1195 . 1 1 A 118 118 ASN HA H 118 4.731 4.846 -0.115 2 1 1200 . 1 1 A 118 118 ASN C C 118 175.220 174.923 0.297 2 1 1201 . 1 1 A 118 118 ASN CA C 118 55.090 54.509 0.581 2 1 1202 . 1 1 A 118 118 ASN CB C 118 38.920 40.281 -1.361 2 1 1203 . 1 1 A 118 118 ASN N N 118 120.190 120.413 -0.223 2 1 1205 . 1 1 A 119 119 ALA H H 119 7.372 7.730 -0.358 2 1 1206 . 1 1 A 119 119 ALA HA H 119 5.319 5.072 0.247 2 1 1210 . 1 1 A 119 119 ALA C C 119 176.720 175.178 1.542 2 1 1211 . 1 1 A 119 119 ALA CA C 119 52.120 51.021 1.099 2 1 1212 . 1 1 A 119 119 ALA CB C 119 21.460 22.324 -0.864 2 1 1213 . 1 1 A 119 119 ALA N N 119 120.380 118.882 1.498 2 1 1214 . 1 1 A 120 120 GLN H H 120 8.787 8.807 -0.020 2 1 1215 . 1 1 A 120 120 GLN HA H 120 4.505 4.654 -0.149 2 1 1222 . 1 1 A 120 120 GLN C C 120 174.380 173.966 0.414 2 1 1223 . 1 1 A 120 120 GLN CA C 120 56.030 55.000 1.030 2 1 1224 . 1 1 A 120 120 GLN CB C 120 32.790 32.819 -0.029 2 1 1225 . 1 1 A 120 120 GLN N N 120 121.180 121.535 -0.355 2 1 1227 . 1 1 A 121 121 VAL H H 121 8.692 8.724 -0.032 2 1 1228 . 1 1 A 121 121 VAL HA H 121 4.258 4.371 -0.113 2 1 1236 . 1 1 A 121 121 VAL C C 121 176.510 175.291 1.219 2 1 1237 . 1 1 A 121 121 VAL CA C 121 64.140 62.390 1.750 2 1 1238 . 1 1 A 121 121 VAL CB C 121 31.700 32.164 -0.464 2 1 1239 . 1 1 A 121 121 VAL N N 121 129.930 126.539 3.391 2 1 1240 . 1 1 A 122 122 MET H H 122 8.924 9.131 -0.207 2 1 1241 . 1 1 A 122 122 MET HA H 122 4.419 4.905 -0.486 2 1 1249 . 1 1 A 122 122 MET C C 122 174.380 175.427 -1.047 2 1 1250 . 1 1 A 122 122 MET CA C 122 55.740 54.080 1.660 2 1 1251 . 1 1 A 122 122 MET CB C 122 35.140 33.765 1.375 2 1 1252 . 1 1 A 122 122 MET N N 122 129.560 127.089 2.471 2 1 1253 . 1 1 A 123 123 GLN H H 123 9.002 8.973 0.029 2 1 1254 . 1 1 A 123 123 GLN HA H 123 4.823 5.003 -0.180 2 1 1261 . 1 1 A 123 123 GLN C C 123 175.530 175.232 0.298 2 1 1262 . 1 1 A 123 123 GLN CA C 123 53.570 54.315 -0.745 2 1 1263 . 1 1 A 123 123 GLN CB C 123 32.290 32.150 0.140 2 1 1264 . 1 1 A 123 123 GLN N N 123 119.810 123.083 -3.273 2 1 1266 . 1 1 A 124 124 THR H H 124 9.036 8.587 0.449 2 1 1267 . 1 1 A 124 124 THR HA H 124 4.208 4.216 -0.008 2 1 1272 . 1 1 A 124 124 THR C C 124 175.300 175.601 -0.301 2 1 1273 . 1 1 A 124 124 THR CA C 124 65.510 63.898 1.612 2 1 1274 . 1 1 A 124 124 THR CB C 124 69.560 68.631 0.929 2 1 1275 . 1 1 A 124 124 THR N N 124 119.570 117.066 2.504 2 1 1276 . 1 1 A 125 125 GLY H H 125 9.921 9.479 0.442 2 1 1277 . 1 1 A 125 125 GLY HA2 H 125 4.552 4.020 0.532 2 1 1278 . 1 1 A 125 125 GLY HA3 H 125 3.480 4.027 -0.547 2 1 1279 . 1 1 A 125 125 GLY C C 125 174.650 174.133 0.517 2 1 1280 . 1 1 A 125 125 GLY CA C 125 44.710 44.997 -0.287 2 1 1281 . 1 1 A 125 125 GLY N N 125 117.920 116.494 1.426 2 1 1282 . 1 1 A 126 126 ASP H H 126 8.638 7.975 0.663 2 1 1283 . 1 1 A 126 126 ASP HA H 126 4.876 4.810 0.066 2 1 1286 . 1 1 A 126 126 ASP C C 126 174.650 175.546 -0.896 2 1 1287 . 1 1 A 126 126 ASP CA C 126 56.140 54.035 2.105 2 1 1288 . 1 1 A 126 126 ASP CB C 126 41.690 42.116 -0.426 2 1 1289 . 1 1 A 126 126 ASP N N 126 123.190 121.841 1.349 2 1 1290 . 1 1 A 127 127 GLU H H 127 8.316 8.944 -0.628 2 1 1291 . 1 1 A 127 127 GLU HA H 127 5.341 5.235 0.106 2 1 1296 . 1 1 A 127 127 GLU C C 127 175.990 175.194 0.796 2 1 1297 . 1 1 A 127 127 GLU CA C 127 54.440 54.920 -0.480 2 1 1298 . 1 1 A 127 127 GLU CB C 127 32.790 32.678 0.112 2 1 1299 . 1 1 A 127 127 GLU N N 127 118.480 121.940 -3.460 2 1 1300 . 1 1 A 128 128 ILE H H 128 9.910 9.400 0.510 2 1 1301 . 1 1 A 128 128 ILE HA H 128 5.334 4.956 0.378 2 1 1311 . 1 1 A 128 128 ILE C C 128 174.700 174.468 0.232 2 1 1312 . 1 1 A 128 128 ILE CA C 128 59.470 60.268 -0.798 2 1 1313 . 1 1 A 128 128 ILE CB C 128 40.600 39.932 0.668 2 1 1314 . 1 1 A 128 128 ILE N N 128 128.810 125.104 3.706 2 1 1315 . 1 1 A 129 129 GLN H H 129 9.502 9.535 -0.033 2 1 1316 . 1 1 A 129 129 GLN HA H 129 5.406 5.271 0.135 2 1 1323 . 1 1 A 129 129 GLN C C 129 174.950 174.656 0.294 2 1 1324 . 1 1 A 129 129 GLN CA C 129 54.800 54.381 0.419 2 1 1325 . 1 1 A 129 129 GLN CB C 129 30.690 31.570 -0.880 2 1 1326 . 1 1 A 129 129 GLN N N 129 129.270 127.839 1.431 2 1 1328 . 1 1 A 130 130 ILE H H 130 8.498 8.834 -0.336 2 1 1329 . 1 1 A 130 130 ILE HA H 130 4.116 4.472 -0.356 2 1 1339 . 1 1 A 130 130 ILE C C 130 174.860 176.103 -1.243 2 1 1340 . 1 1 A 130 130 ILE CA C 130 60.740 59.972 0.768 2 1 1341 . 1 1 A 130 130 ILE CB C 130 41.440 38.887 2.553 2 1 1342 . 1 1 A 130 130 ILE N N 130 129.070 127.157 1.913 2 1 1343 . 1 1 A 131 131 GLY H H 131 9.924 8.960 0.964 2 1 1344 . 1 1 A 131 131 GLY HA2 H 131 3.768 3.769 -0.001 2 1 1345 . 1 1 A 131 131 GLY HA3 H 131 3.337 3.903 -0.566 2 1 1346 . 1 1 A 131 131 GLY C C 131 174.590 174.656 -0.066 2 1 1347 . 1 1 A 131 131 GLY CA C 131 46.700 47.296 -0.596 2 1 1348 . 1 1 A 131 131 GLY N N 131 116.470 117.595 -1.125 2 1 1349 . 1 1 A 132 132 LYS H H 132 7.141 8.509 -1.368 2 1 1350 . 1 1 A 132 132 LYS HA H 132 3.750 4.453 -0.703 2 1 1357 . 1 1 A 132 132 LYS C C 132 175.820 175.914 -0.094 2 1 1358 . 1 1 A 132 132 LYS CA C 132 57.550 56.105 1.445 2 1 1359 . 1 1 A 132 132 LYS CB C 132 33.300 33.384 -0.084 2 1 1360 . 1 1 A 132 132 LYS N N 132 122.960 123.868 -0.908 2 1 1361 . 1 1 A 133 133 PHE H H 133 8.360 7.771 0.589 2 1 1362 . 1 1 A 133 133 PHE HA H 133 4.601 5.212 -0.611 2 1 1370 . 1 1 A 133 133 PHE C C 133 174.910 174.323 0.587 2 1 1371 . 1 1 A 133 133 PHE CA C 133 58.600 56.308 2.292 2 1 1372 . 1 1 A 133 133 PHE CB C 133 40.510 41.718 -1.208 2 1 1373 . 1 1 A 133 133 PHE N N 133 118.170 117.927 0.243 2 1 1374 . 1 1 A 134 134 ARG H H 134 8.698 8.953 -0.255 2 1 1375 . 1 1 A 134 134 ARG HA H 134 5.212 5.264 -0.052 2 1 1383 . 1 1 A 134 134 ARG C C 134 175.150 174.786 0.364 2 1 1384 . 1 1 A 134 134 ARG CA C 134 55.060 54.718 0.342 2 1 1385 . 1 1 A 134 134 ARG CB C 134 33.550 33.362 0.188 2 1 1386 . 1 1 A 134 134 ARG N N 134 120.770 120.507 0.263 2 1 1388 . 1 1 A 135 135 LEU H H 135 9.904 9.484 0.420 2 1 1389 . 1 1 A 135 135 LEU HA H 135 5.544 5.403 0.141 2 1 1399 . 1 1 A 135 135 LEU C C 135 175.260 175.721 -0.461 2 1 1400 . 1 1 A 135 135 LEU CA C 135 53.930 53.553 0.377 2 1 1401 . 1 1 A 135 135 LEU CB C 135 45.550 44.835 0.715 2 1 1402 . 1 1 A 135 135 LEU N N 135 127.130 125.879 1.251 2 1 1403 . 1 1 A 136 136 VAL H H 136 9.350 9.425 -0.075 2 1 1404 . 1 1 A 136 136 VAL HA H 136 5.226 4.838 0.388 2 1 1412 . 1 1 A 136 136 VAL C C 136 174.050 174.192 -0.142 2 1 1413 . 1 1 A 136 136 VAL CA C 136 60.520 60.730 -0.210 2 1 1414 . 1 1 A 136 136 VAL CB C 136 34.890 33.830 1.060 2 1 1415 . 1 1 A 136 136 VAL N N 136 121.300 123.063 -1.763 2 1 1416 . 1 1 A 137 137 PHE H H 137 8.492 9.278 -0.786 2 1 1417 . 1 1 A 137 137 PHE HA H 137 5.007 5.038 -0.031 2 1 1424 . 1 1 A 137 137 PHE C C 137 173.340 173.964 -0.624 2 1 1425 . 1 1 A 137 137 PHE CA C 137 57.010 56.339 0.671 2 1 1426 . 1 1 A 137 137 PHE CB C 137 41.770 40.917 0.853 2 1 1427 . 1 1 A 137 137 PHE N N 137 127.550 128.590 -1.040 2 1 1428 . 1 1 A 138 138 LEU H H 138 8.535 8.829 -0.294 2 1 1429 . 1 1 A 138 138 LEU HA H 138 4.345 4.891 -0.546 2 1 1439 . 1 1 A 138 138 LEU C C 138 173.390 175.025 -1.635 2 1 1440 . 1 1 A 138 138 LEU CA C 138 53.680 53.254 0.426 2 1 1441 . 1 1 A 138 138 LEU CB C 138 45.210 45.351 -0.141 2 1 1442 . 1 1 A 138 138 LEU N N 138 128.590 127.642 0.948 2 1 1443 . 1 1 A 139 139 ALA H H 139 7.502 8.596 -1.094 2 1 1444 . 1 1 A 139 139 ALA HA H 139 3.952 4.405 -0.453 2 1 1448 . 1 1 A 139 139 ALA C C 139 178.010 177.382 0.628 2 1 1449 . 1 1 A 139 139 ALA CA C 139 51.650 51.367 0.283 2 1 1450 . 1 1 A 139 139 ALA CB C 139 20.700 19.650 1.050 2 1 1451 . 1 1 A 139 139 ALA N N 139 123.250 125.835 -2.585 2 1 1452 . 1 1 A 140 140 GLY H H 140 7.968 8.409 -0.441 2 1 1453 . 1 1 A 140 140 GLY HA2 H 140 4.202 4.020 0.182 2 1 1454 . 1 1 A 140 140 GLY HA3 H 140 3.595 4.042 -0.447 2 1 1455 . 1 1 A 140 140 GLY C C 140 171.240 173.346 -2.106 2 1 1456 . 1 1 A 140 140 GLY CA C 140 44.710 45.231 -0.521 2 1 1457 . 1 1 A 140 140 GLY N N 140 108.040 109.430 -1.389 2 1 1458 . 1 1 A 141 141 PRO HA H 141 4.460 4.602 -0.142 2 1 1463 . 1 1 A 141 141 PRO C C 141 176.150 176.227 -0.077 2 1 1464 . 1 1 A 141 141 PRO CA C 141 63.230 62.794 0.436 2 1 1465 . 1 1 A 141 141 PRO CB C 141 32.370 32.571 -0.201 2 1 1466 . 1 1 A 142 142 ALA H H 142 8.496 8.425 0.071 2 1 1467 . 1 1 A 142 142 ALA HA H 142 4.363 4.516 -0.153 2 1 1471 . 1 1 A 142 142 ALA C C 142 177.320 176.724 0.596 2 1 1472 . 1 1 A 142 142 ALA CA C 142 52.740 51.502 1.238 2 1 1473 . 1 1 A 142 142 ALA CB C 142 19.780 18.913 0.867 2 1 1474 . 1 1 A 142 142 ALA N N 142 124.080 123.455 0.625 2 stop_ save_