data_15846_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15846 _Entry.PDB_ID 2K5Q _Entry.NMR_STAR_version 3.0.9.100 save_ save_delta_chem_shifts_single _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single _Entity_delta_chem_shifts.Conformer_type "single" _Entity_delta_chem_shifts.Conformer_count 20 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 1 . 1 1 1 A 2 2 ASP HA H 2 4.670 4.682 -0.012 1 1 4 . 1 1 1 A 2 2 ASP C C 2 176.480 177.766 -1.286 1 1 5 . 1 1 1 A 2 2 ASP CA C 2 53.400 54.480 -1.080 1 1 6 . 1 1 1 A 2 2 ASP CB C 2 41.170 40.629 0.541 1 1 7 . 1 1 1 A 3 3 LEU H H 3 8.650 8.396 0.254 1 1 8 . 1 1 1 A 3 3 LEU HA H 3 4.116 3.992 0.124 1 1 18 . 1 1 1 A 3 3 LEU C C 3 177.880 177.388 0.492 1 1 19 . 1 1 1 A 3 3 LEU CA C 3 56.390 58.277 -1.887 1 1 20 . 1 1 1 A 3 3 LEU CB C 3 41.660 41.736 -0.076 1 1 24 . 1 1 1 A 3 3 LEU N N 3 125.300 124.113 1.187 1 1 25 . 1 1 1 A 4 4 ASN H H 4 8.370 7.948 0.422 1 1 26 . 1 1 1 A 4 4 ASN HA H 4 4.490 4.332 0.158 1 1 31 . 1 1 1 A 4 4 ASN C C 4 175.050 175.389 -0.339 1 1 32 . 1 1 1 A 4 4 ASN CA C 4 54.320 55.471 -1.151 1 1 33 . 1 1 1 A 4 4 ASN CB C 4 38.240 37.115 1.125 1 1 34 . 1 1 1 A 4 4 ASN N N 4 116.550 114.230 2.320 1 1 36 . 1 1 1 A 5 5 ARG H H 5 7.645 7.784 -0.139 1 1 37 . 1 1 1 A 5 5 ARG HA H 5 3.920 4.482 -0.562 1 1 45 . 1 1 1 A 5 5 ARG C C 5 176.030 177.130 -1.100 1 1 46 . 1 1 1 A 5 5 ARG CA C 5 56.180 55.154 1.026 1 1 47 . 1 1 1 A 5 5 ARG CB C 5 31.570 31.643 -0.073 1 1 50 . 1 1 1 A 5 5 ARG N N 5 118.590 116.591 1.999 1 1 52 . 1 1 1 A 6 6 MET H H 6 7.809 8.455 -0.646 1 1 53 . 1 1 1 A 6 6 MET HA H 6 4.355 4.137 0.218 1 1 58 . 1 1 1 A 6 6 MET C C 6 176.940 176.701 0.239 1 1 59 . 1 1 1 A 6 6 MET CA C 6 56.290 57.864 -1.574 1 1 60 . 1 1 1 A 6 6 MET CB C 6 33.020 31.278 1.742 1 1 62 . 1 1 1 A 6 6 MET N N 6 120.180 114.681 5.499 1 1 63 . 1 1 1 A 7 7 GLY H H 7 8.906 8.040 0.866 1 1 64 . 1 1 1 A 7 7 GLY HA2 H 7 3.870 3.916 -0.046 1 1 65 . 1 1 1 A 7 7 GLY HA3 H 7 3.950 3.918 0.032 1 1 66 . 1 1 1 A 7 7 GLY C C 7 174.280 174.854 -0.574 1 1 67 . 1 1 1 A 7 7 GLY CA C 7 46.110 46.785 -0.675 1 1 68 . 1 1 1 A 7 7 GLY N N 7 112.660 106.459 6.201 1 1 69 . 1 1 1 A 8 8 LYS H H 8 7.819 8.099 -0.280 1 1 70 . 1 1 1 A 8 8 LYS HA H 8 4.550 4.526 0.024 1 1 79 . 1 1 1 A 8 8 LYS C C 8 176.060 175.924 0.136 1 1 80 . 1 1 1 A 8 8 LYS CA C 8 54.444 55.180 -0.736 1 1 81 . 1 1 1 A 8 8 LYS CB C 8 33.760 33.462 0.298 1 1 85 . 1 1 1 A 8 8 LYS N N 8 119.130 119.410 -0.280 1 1 86 . 1 1 1 A 9 9 ASP H H 9 8.790 8.696 0.094 1 1 87 . 1 1 1 A 9 9 ASP HA H 9 4.730 4.927 -0.197 1 1 90 . 1 1 1 A 9 9 ASP C C 9 174.530 175.759 -1.229 1 1 91 . 1 1 1 A 9 9 ASP CA C 9 54.560 53.908 0.652 1 1 92 . 1 1 1 A 9 9 ASP CB C 9 42.530 42.098 0.432 1 1 93 . 1 1 1 A 9 9 ASP N N 9 121.550 121.408 0.142 1 1 94 . 1 1 1 A 10 10 GLU H H 10 7.950 8.920 -0.970 1 1 95 . 1 1 1 A 10 10 GLU HA H 10 4.570 5.399 -0.829 1 1 100 . 1 1 1 A 10 10 GLU C C 10 174.080 173.627 0.453 1 1 101 . 1 1 1 A 10 10 GLU CA C 10 54.640 54.452 0.188 1 1 102 . 1 1 1 A 10 10 GLU CB C 10 31.380 32.690 -1.310 1 1 104 . 1 1 1 A 10 10 GLU N N 10 119.640 118.447 1.193 1 1 105 . 1 1 1 A 11 11 TYR H H 11 8.767 9.438 -0.671 1 1 106 . 1 1 1 A 11 11 TYR HA H 11 4.555 5.254 -0.699 1 1 113 . 1 1 1 A 11 11 TYR C C 11 173.480 174.747 -1.267 1 1 114 . 1 1 1 A 11 11 TYR CA C 11 56.360 56.432 -0.072 1 1 115 . 1 1 1 A 11 11 TYR CB C 11 43.860 40.028 3.832 1 1 120 . 1 1 1 A 11 11 TYR N N 11 120.960 123.073 -2.113 1 1 121 . 1 1 1 A 12 12 TYR H H 12 9.290 9.205 0.085 1 1 122 . 1 1 1 A 12 12 TYR HA H 12 5.730 5.040 0.690 1 1 129 . 1 1 1 A 12 12 TYR C C 12 175.700 175.876 -0.176 1 1 130 . 1 1 1 A 12 12 TYR CA C 12 56.680 57.976 -1.296 1 1 131 . 1 1 1 A 12 12 TYR CB C 12 42.180 38.052 4.128 1 1 136 . 1 1 1 A 12 12 TYR N N 12 118.880 124.635 -5.755 1 1 137 . 1 1 1 A 13 13 VAL H H 13 8.670 9.098 -0.428 1 1 138 . 1 1 1 A 13 13 VAL HA H 13 5.050 5.153 -0.103 1 1 146 . 1 1 1 A 13 13 VAL C C 13 174.820 174.010 0.810 1 1 147 . 1 1 1 A 13 13 VAL CA C 13 58.130 59.835 -1.705 1 1 148 . 1 1 1 A 13 13 VAL CB C 13 35.890 34.351 1.539 1 1 151 . 1 1 1 A 13 13 VAL N N 13 112.280 119.469 -7.189 1 1 152 . 1 1 1 A 14 14 GLN H H 14 8.760 8.937 -0.177 1 1 153 . 1 1 1 A 14 14 GLN HA H 14 5.090 5.028 0.062 1 1 160 . 1 1 1 A 14 14 GLN C C 14 175.000 174.530 0.470 1 1 161 . 1 1 1 A 14 14 GLN CA C 14 53.520 54.089 -0.569 1 1 162 . 1 1 1 A 14 14 GLN CB C 14 31.250 32.105 -0.855 1 1 164 . 1 1 1 A 14 14 GLN N N 14 120.910 120.632 0.278 1 1 166 . 1 1 1 A 15 15 ILE H H 15 8.843 8.675 0.168 1 1 167 . 1 1 1 A 15 15 ILE HA H 15 3.900 4.133 -0.233 1 1 177 . 1 1 1 A 15 15 ILE C C 15 177.090 176.746 0.344 1 1 178 . 1 1 1 A 15 15 ILE CA C 15 59.269 61.726 -2.457 1 1 179 . 1 1 1 A 15 15 ILE CB C 15 34.050 36.751 -2.701 1 1 183 . 1 1 1 A 15 15 ILE N N 15 125.520 128.080 -2.560 1 1 184 . 1 1 1 A 16 16 THR H H 16 7.996 8.370 -0.374 1 1 185 . 1 1 1 A 16 16 THR HA H 16 4.540 4.475 0.065 1 1 190 . 1 1 1 A 16 16 THR C C 16 173.650 175.105 -1.455 1 1 191 . 1 1 1 A 16 16 THR CA C 16 61.180 62.617 -1.437 1 1 192 . 1 1 1 A 16 16 THR CB C 16 69.300 69.564 -0.264 1 1 194 . 1 1 1 A 16 16 THR N N 16 118.080 118.752 -0.672 1 1 195 . 1 1 1 A 17 17 VAL H H 17 7.240 7.517 -0.277 1 1 196 . 1 1 1 A 17 17 VAL HA H 17 4.659 4.237 0.422 1 1 204 . 1 1 1 A 17 17 VAL C C 17 175.135 174.664 0.471 1 1 205 . 1 1 1 A 17 17 VAL CA C 17 58.870 61.360 -2.490 1 1 206 . 1 1 1 A 17 17 VAL CB C 17 36.070 33.047 3.023 1 1 209 . 1 1 1 A 17 17 VAL N N 17 113.230 118.637 -5.407 1 1 210 . 1 1 1 A 18 18 ASP H H 18 8.280 8.865 -0.585 1 1 211 . 1 1 1 A 18 18 ASP HA H 18 5.010 5.091 -0.081 1 1 214 . 1 1 1 A 18 18 ASP C C 18 177.350 175.303 2.047 1 1 215 . 1 1 1 A 18 18 ASP CA C 18 54.765 53.062 1.703 1 1 216 . 1 1 1 A 18 18 ASP CB C 18 42.120 44.506 -2.386 1 1 217 . 1 1 1 A 18 18 ASP N N 18 120.730 126.971 -6.241 1 1 218 . 1 1 1 A 19 19 GLY H H 19 8.951 8.710 0.241 1 1 219 . 1 1 1 A 19 19 GLY HA2 H 19 2.920 3.893 -0.973 1 1 220 . 1 1 1 A 19 19 GLY HA3 H 19 2.978 3.948 -0.970 1 1 221 . 1 1 1 A 19 19 GLY C C 19 172.450 174.737 -2.287 1 1 222 . 1 1 1 A 19 19 GLY CA C 19 45.370 45.828 -0.458 1 1 223 . 1 1 1 A 19 19 GLY N N 19 110.580 113.173 -2.593 1 1 224 . 1 1 1 A 20 20 LYS H H 20 8.110 7.813 0.297 1 1 225 . 1 1 1 A 20 20 LYS HA H 20 4.374 4.257 0.117 1 1 234 . 1 1 1 A 20 20 LYS C C 20 175.710 175.591 0.119 1 1 235 . 1 1 1 A 20 20 LYS CA C 20 54.800 54.786 0.014 1 1 236 . 1 1 1 A 20 20 LYS CB C 20 33.240 30.780 2.460 1 1 240 . 1 1 1 A 20 20 LYS N N 20 124.290 121.075 3.215 1 1 241 . 1 1 1 A 21 21 GLU H H 21 8.710 7.963 0.747 1 1 242 . 1 1 1 A 21 21 GLU HA H 21 3.930 4.411 -0.481 1 1 247 . 1 1 1 A 21 21 GLU C C 21 175.960 175.619 0.341 1 1 248 . 1 1 1 A 21 21 GLU CA C 21 56.940 55.803 1.137 1 1 249 . 1 1 1 A 21 21 GLU CB C 21 30.439 29.743 0.696 1 1 251 . 1 1 1 A 21 21 GLU N N 21 128.720 124.023 4.697 1 1 252 . 1 1 1 A 22 22 VAL H H 22 8.621 8.491 0.130 1 1 253 . 1 1 1 A 22 22 VAL HA H 22 4.160 4.429 -0.269 1 1 261 . 1 1 1 A 22 22 VAL C C 22 175.210 176.067 -0.857 1 1 262 . 1 1 1 A 22 22 VAL CA C 22 61.027 61.373 -0.346 1 1 263 . 1 1 1 A 22 22 VAL CB C 22 34.501 31.041 3.460 1 1 266 . 1 1 1 A 22 22 VAL N N 22 125.340 121.361 3.979 1 1 267 . 1 1 1 A 23 23 HIS H H 23 8.607 8.222 0.385 1 1 268 . 1 1 1 A 23 23 HIS HA H 23 4.820 4.083 0.737 1 1 273 . 1 1 1 A 23 23 HIS C C 23 175.040 176.763 -1.723 1 1 274 . 1 1 1 A 23 23 HIS CA C 23 55.498 58.176 -2.678 1 1 275 . 1 1 1 A 23 23 HIS CB C 23 30.660 30.100 0.560 1 1 278 . 1 1 1 A 23 23 HIS N N 23 124.000 127.279 -3.279 1 1 279 . 1 1 1 A 24 24 SER H H 24 8.480 8.301 0.179 1 1 280 . 1 1 1 A 24 24 SER HA H 24 4.480 4.209 0.271 1 1 283 . 1 1 1 A 24 24 SER C C 24 173.860 175.398 -1.538 1 1 284 . 1 1 1 A 24 24 SER CA C 24 57.690 60.560 -2.870 1 1 285 . 1 1 1 A 24 24 SER CB C 24 64.580 62.918 1.662 1 1 286 . 1 1 1 A 24 24 SER N N 24 118.250 114.279 3.971 1 1 287 . 1 1 1 A 25 25 LYS H H 25 8.517 7.404 1.113 1 1 288 . 1 1 1 A 25 25 LYS HA H 25 4.561 4.333 0.228 1 1 297 . 1 1 1 A 25 25 LYS C C 25 176.160 176.549 -0.389 1 1 298 . 1 1 1 A 25 25 LYS CA C 25 56.255 57.059 -0.804 1 1 299 . 1 1 1 A 25 25 LYS CB C 25 33.714 32.100 1.614 1 1 303 . 1 1 1 A 25 25 LYS N N 25 122.750 118.992 3.758 1 1 304 . 1 1 1 A 26 26 ALA H H 26 8.468 7.345 1.123 1 1 305 . 1 1 1 A 26 26 ALA HA H 26 4.470 3.667 0.803 1 1 309 . 1 1 1 A 26 26 ALA C C 26 177.950 177.596 0.354 1 1 310 . 1 1 1 A 26 26 ALA CA C 26 51.912 55.161 -3.249 1 1 311 . 1 1 1 A 26 26 ALA CB C 26 20.050 18.279 1.771 1 1 312 . 1 1 1 A 26 26 ALA N N 26 125.370 122.722 2.648 1 1 313 . 1 1 1 A 27 27 ASP H H 27 8.509 7.908 0.601 1 1 314 . 1 1 1 A 27 27 ASP HA H 27 4.460 4.229 0.231 1 1 317 . 1 1 1 A 27 27 ASP C C 27 176.480 177.185 -0.705 1 1 318 . 1 1 1 A 27 27 ASP CA C 27 55.490 56.488 -0.998 1 1 319 . 1 1 1 A 27 27 ASP CB C 27 40.771 39.480 1.291 1 1 320 . 1 1 1 A 27 27 ASP N N 27 120.380 114.895 5.485 1 1 321 . 1 1 1 A 28 28 ASN H H 28 8.193 8.216 -0.023 1 1 322 . 1 1 1 A 28 28 ASN HA H 28 4.620 4.732 -0.112 1 1 327 . 1 1 1 A 28 28 ASN C C 28 176.310 175.457 0.853 1 1 328 . 1 1 1 A 28 28 ASN CA C 28 53.050 53.855 -0.805 1 1 329 . 1 1 1 A 28 28 ASN CB C 28 38.080 39.228 -1.148 1 1 330 . 1 1 1 A 28 28 ASN N N 28 117.470 117.209 0.261 1 1 332 . 1 1 1 A 29 29 GLY H H 29 8.359 8.145 0.214 1 1 333 . 1 1 1 A 29 29 GLY HA2 H 29 4.110 4.023 0.087 1 1 334 . 1 1 1 A 29 29 GLY HA3 H 29 3.720 4.053 -0.333 1 1 335 . 1 1 1 A 29 29 GLY C C 29 174.365 173.834 0.531 1 1 336 . 1 1 1 A 29 29 GLY CA C 29 45.688 45.213 0.475 1 1 337 . 1 1 1 A 29 29 GLY N N 29 108.230 106.998 1.232 1 1 338 . 1 1 1 A 30 30 GLN H H 30 7.920 7.253 0.667 1 1 339 . 1 1 1 A 30 30 GLN HA H 30 4.200 4.829 -0.629 1 1 346 . 1 1 1 A 30 30 GLN C C 30 174.330 175.926 -1.596 1 1 347 . 1 1 1 A 30 30 GLN CA C 30 56.210 54.252 1.958 1 1 348 . 1 1 1 A 30 30 GLN CB C 30 29.320 31.851 -2.531 1 1 350 . 1 1 1 A 30 30 GLN N N 30 119.670 118.865 0.805 1 1 352 . 1 1 1 A 31 31 LYS H H 31 8.390 8.679 -0.289 1 1 353 . 1 1 1 A 31 31 LYS HA H 31 4.490 4.443 0.047 1 1 362 . 1 1 1 A 31 31 LYS C C 31 176.052 175.681 0.371 1 1 363 . 1 1 1 A 31 31 LYS CA C 31 56.417 56.148 0.269 1 1 364 . 1 1 1 A 31 31 LYS CB C 31 33.414 32.632 0.782 1 1 368 . 1 1 1 A 31 31 LYS N N 31 121.950 118.653 3.297 1 1 369 . 1 1 1 A 32 32 TYR H H 32 8.160 7.607 0.553 1 1 370 . 1 1 1 A 32 32 TYR HA H 32 4.770 4.379 0.391 1 1 377 . 1 1 1 A 32 32 TYR C C 32 175.560 175.558 0.002 1 1 378 . 1 1 1 A 32 32 TYR CA C 32 56.300 57.703 -1.403 1 1 379 . 1 1 1 A 32 32 TYR CB C 32 40.074 39.435 0.639 1 1 384 . 1 1 1 A 32 32 TYR N N 32 119.960 119.094 0.866 1 1 385 . 1 1 1 A 33 33 LYS H H 33 8.397 8.888 -0.491 1 1 386 . 1 1 1 A 33 33 LYS HA H 33 4.610 4.799 -0.189 1 1 395 . 1 1 1 A 33 33 LYS C C 33 174.080 175.210 -1.130 1 1 396 . 1 1 1 A 33 33 LYS CA C 33 55.512 54.394 1.118 1 1 397 . 1 1 1 A 33 33 LYS CB C 33 34.570 35.644 -1.074 1 1 401 . 1 1 1 A 33 33 LYS N N 33 122.080 122.410 -0.330 1 1 402 . 1 1 1 A 34 34 ASP H H 34 8.140 8.573 -0.433 1 1 403 . 1 1 1 A 34 34 ASP HA H 34 5.040 5.052 -0.012 1 1 406 . 1 1 1 A 34 34 ASP C C 34 173.740 175.146 -1.406 1 1 407 . 1 1 1 A 34 34 ASP CA C 34 53.104 53.722 -0.618 1 1 408 . 1 1 1 A 34 34 ASP CB C 34 44.290 42.418 1.872 1 1 409 . 1 1 1 A 34 34 ASP N N 34 121.430 123.128 -1.698 1 1 410 . 1 1 1 A 35 35 TYR H H 35 8.849 9.207 -0.358 1 1 411 . 1 1 1 A 35 35 TYR HA H 35 4.660 5.544 -0.884 1 1 418 . 1 1 1 A 35 35 TYR C C 35 174.450 174.376 0.074 1 1 419 . 1 1 1 A 35 35 TYR CA C 35 57.177 56.745 0.432 1 1 420 . 1 1 1 A 35 35 TYR CB C 35 40.955 41.418 -0.463 1 1 425 . 1 1 1 A 35 35 TYR N N 35 116.670 119.806 -3.136 1 1 426 . 1 1 1 A 36 36 GLU H H 36 9.144 8.986 0.158 1 1 427 . 1 1 1 A 36 36 GLU HA H 36 4.615 4.749 -0.134 1 1 432 . 1 1 1 A 36 36 GLU C C 36 175.850 174.322 1.528 1 1 433 . 1 1 1 A 36 36 GLU CA C 36 55.700 54.730 0.970 1 1 434 . 1 1 1 A 36 36 GLU CB C 36 32.541 31.911 0.630 1 1 436 . 1 1 1 A 36 36 GLU N N 36 122.490 124.355 -1.865 1 1 437 . 1 1 1 A 37 37 TYR H H 37 8.598 8.735 -0.137 1 1 438 . 1 1 1 A 37 37 TYR HA H 37 4.090 4.840 -0.750 1 1 445 . 1 1 1 A 37 37 TYR C C 37 174.140 173.613 0.527 1 1 446 . 1 1 1 A 37 37 TYR CA C 37 58.399 56.051 2.348 1 1 447 . 1 1 1 A 37 37 TYR CB C 37 41.690 38.724 2.966 1 1 452 . 1 1 1 A 37 37 TYR N N 37 122.480 126.254 -3.774 1 1 453 . 1 1 1 A 38 38 LYS H H 38 8.410 8.828 -0.418 1 1 454 . 1 1 1 A 38 38 LYS HA H 38 5.080 5.094 -0.014 1 1 463 . 1 1 1 A 38 38 LYS C C 38 174.980 175.722 -0.742 1 1 464 . 1 1 1 A 38 38 LYS CA C 38 56.133 55.090 1.043 1 1 465 . 1 1 1 A 38 38 LYS CB C 38 33.525 34.086 -0.561 1 1 469 . 1 1 1 A 38 38 LYS N N 38 124.250 126.536 -2.286 1 1 470 . 1 1 1 A 39 39 LEU H H 39 8.555 8.689 -0.134 1 1 471 . 1 1 1 A 39 39 LEU HA H 39 4.865 4.734 0.131 1 1 480 . 1 1 1 A 39 39 LEU C C 39 175.120 174.815 0.305 1 1 481 . 1 1 1 A 39 39 LEU CA C 39 53.316 53.588 -0.272 1 1 482 . 1 1 1 A 39 39 LEU CB C 39 47.338 45.057 2.281 1 1 485 . 1 1 1 A 39 39 LEU N N 39 124.840 122.062 2.778 1 1 486 . 1 1 1 A 40 40 THR H H 40 8.615 8.574 0.041 1 1 487 . 1 1 1 A 40 40 THR HA H 40 4.410 4.684 -0.274 1 1 492 . 1 1 1 A 40 40 THR C C 40 173.360 173.968 -0.608 1 1 493 . 1 1 1 A 40 40 THR CA C 40 63.200 60.808 2.392 1 1 494 . 1 1 1 A 40 40 THR CB C 40 69.100 69.656 -0.556 1 1 496 . 1 1 1 A 40 40 THR N N 40 118.390 115.534 2.856 1 1 497 . 1 1 1 A 41 41 GLY H H 41 8.545 9.131 -0.586 1 1 498 . 1 1 1 A 41 41 GLY HA2 H 41 3.030 4.031 -1.001 1 1 499 . 1 1 1 A 41 41 GLY HA3 H 41 4.910 4.048 0.862 1 1 500 . 1 1 1 A 41 41 GLY C C 41 171.375 172.238 -0.863 1 1 501 . 1 1 1 A 41 41 GLY CA C 41 43.963 44.800 -0.837 1 1 502 . 1 1 1 A 41 41 GLY N N 41 113.500 114.540 -1.040 1 1 503 . 1 1 1 A 42 42 PHE H H 42 8.650 8.710 -0.060 1 1 504 . 1 1 1 A 42 42 PHE HA H 42 5.910 5.325 0.585 1 1 512 . 1 1 1 A 42 42 PHE C C 42 176.670 175.547 1.123 1 1 513 . 1 1 1 A 42 42 PHE CA C 42 56.260 57.534 -1.274 1 1 514 . 1 1 1 A 42 42 PHE CB C 42 44.750 40.446 4.304 1 1 520 . 1 1 1 A 42 42 PHE N N 42 113.300 123.710 -10.410 1 1 521 . 1 1 1 A 43 43 ASP H H 43 9.040 8.777 0.263 1 1 522 . 1 1 1 A 43 43 ASP HA H 43 5.100 4.578 0.522 1 1 525 . 1 1 1 A 43 43 ASP C C 43 177.790 177.502 0.288 1 1 526 . 1 1 1 A 43 43 ASP CA C 43 51.990 52.385 -0.395 1 1 527 . 1 1 1 A 43 43 ASP CB C 43 41.660 41.139 0.521 1 1 528 . 1 1 1 A 43 43 ASP N N 43 123.450 124.974 -1.524 1 1 529 . 1 1 1 A 44 44 LYS H H 44 8.689 8.557 0.132 1 1 530 . 1 1 1 A 44 44 LYS HA H 44 3.920 4.039 -0.119 1 1 539 . 1 1 1 A 44 44 LYS C C 44 175.450 178.532 -3.082 1 1 540 . 1 1 1 A 44 44 LYS CA C 44 58.730 59.458 -0.728 1 1 541 . 1 1 1 A 44 44 LYS CB C 44 31.707 32.050 -0.343 1 1 545 . 1 1 1 A 44 44 LYS N N 44 113.360 118.742 -5.382 1 1 546 . 1 1 1 A 45 45 ASP H H 45 8.178 7.867 0.311 1 1 547 . 1 1 1 A 45 45 ASP HA H 45 4.930 4.414 0.516 1 1 550 . 1 1 1 A 45 45 ASP C C 45 176.710 176.432 0.278 1 1 551 . 1 1 1 A 45 45 ASP CA C 45 54.501 55.525 -1.024 1 1 552 . 1 1 1 A 45 45 ASP CB C 45 42.260 41.200 1.060 1 1 553 . 1 1 1 A 45 45 ASP N N 45 119.050 116.782 2.268 1 1 554 . 1 1 1 A 46 46 GLY H H 46 8.853 8.093 0.760 1 1 555 . 1 1 1 A 46 46 GLY HA2 H 46 4.120 4.097 0.023 1 1 556 . 1 1 1 A 46 46 GLY HA3 H 46 3.350 4.139 -0.789 1 1 557 . 1 1 1 A 46 46 GLY C C 46 173.020 174.062 -1.042 1 1 558 . 1 1 1 A 46 46 GLY CA C 46 45.510 45.349 0.161 1 1 559 . 1 1 1 A 46 46 GLY N N 46 110.250 106.332 3.918 1 1 560 . 1 1 1 A 47 47 LYS H H 47 8.640 7.735 0.905 1 1 561 . 1 1 1 A 47 47 LYS HA H 47 4.320 4.786 -0.466 1 1 570 . 1 1 1 A 47 47 LYS C C 47 176.180 175.842 0.338 1 1 571 . 1 1 1 A 47 47 LYS CA C 47 57.200 54.699 2.501 1 1 572 . 1 1 1 A 47 47 LYS CB C 47 32.300 34.540 -2.240 1 1 576 . 1 1 1 A 47 47 LYS N N 47 123.450 118.822 4.628 1 1 577 . 1 1 1 A 48 48 GLU H H 48 8.510 8.754 -0.244 1 1 578 . 1 1 1 A 48 48 GLU HA H 48 4.914 4.962 -0.048 1 1 583 . 1 1 1 A 48 48 GLU C C 48 176.545 174.489 2.056 1 1 584 . 1 1 1 A 48 48 GLU CA C 48 55.540 55.021 0.519 1 1 585 . 1 1 1 A 48 48 GLU CB C 48 32.850 31.483 1.367 1 1 587 . 1 1 1 A 48 48 GLU N N 48 123.300 119.692 3.608 1 1 588 . 1 1 1 A 49 49 LYS H H 49 8.304 8.959 -0.655 1 1 589 . 1 1 1 A 49 49 LYS HA H 49 4.080 4.723 -0.643 1 1 598 . 1 1 1 A 49 49 LYS C C 49 173.870 175.123 -1.253 1 1 599 . 1 1 1 A 49 49 LYS CA C 49 54.797 54.678 0.119 1 1 600 . 1 1 1 A 49 49 LYS CB C 49 36.248 33.854 2.394 1 1 604 . 1 1 1 A 49 49 LYS N N 49 123.450 126.471 -3.021 1 1 605 . 1 1 1 A 50 50 GLU H H 50 8.377 8.708 -0.331 1 1 606 . 1 1 1 A 50 50 GLU HA H 50 4.298 4.786 -0.488 1 1 611 . 1 1 1 A 50 50 GLU C C 50 175.090 175.914 -0.824 1 1 612 . 1 1 1 A 50 50 GLU CA C 50 56.950 55.265 1.685 1 1 613 . 1 1 1 A 50 50 GLU CB C 50 29.872 31.024 -1.152 1 1 615 . 1 1 1 A 50 50 GLU N N 50 127.100 127.673 -0.573 1 1 616 . 1 1 1 A 51 51 LEU H H 51 8.934 8.524 0.410 1 1 617 . 1 1 1 A 51 51 LEU HA H 51 4.517 5.098 -0.581 1 1 627 . 1 1 1 A 51 51 LEU C C 51 174.890 175.409 -0.519 1 1 628 . 1 1 1 A 51 51 LEU CA C 51 53.817 53.073 0.744 1 1 629 . 1 1 1 A 51 51 LEU CB C 51 45.254 46.024 -0.770 1 1 633 . 1 1 1 A 51 51 LEU N N 51 127.790 122.131 5.659 1 1 634 . 1 1 1 A 52 52 GLU H H 52 8.360 9.007 -0.647 1 1 635 . 1 1 1 A 52 52 GLU HA H 52 5.417 5.277 0.140 1 1 640 . 1 1 1 A 52 52 GLU C C 52 174.890 175.408 -0.518 1 1 641 . 1 1 1 A 52 52 GLU CA C 52 54.519 54.848 -0.329 1 1 642 . 1 1 1 A 52 52 GLU CB C 52 32.500 31.382 1.118 1 1 644 . 1 1 1 A 52 52 GLU N N 52 121.180 120.739 0.441 1 1 645 . 1 1 1 A 53 53 PHE H H 53 8.465 8.372 0.093 1 1 646 . 1 1 1 A 53 53 PHE HA H 53 5.130 5.758 -0.628 1 1 654 . 1 1 1 A 53 53 PHE C C 53 172.660 174.337 -1.677 1 1 655 . 1 1 1 A 53 53 PHE CA C 53 56.508 55.472 1.036 1 1 656 . 1 1 1 A 53 53 PHE CB C 53 40.095 41.648 -1.553 1 1 662 . 1 1 1 A 53 53 PHE N N 53 118.940 120.593 -1.653 1 1 663 . 1 1 1 A 54 54 THR H H 54 8.622 8.976 -0.354 1 1 664 . 1 1 1 A 54 54 THR HA H 54 5.530 5.681 -0.151 1 1 669 . 1 1 1 A 54 54 THR C C 54 173.470 174.017 -0.547 1 1 670 . 1 1 1 A 54 54 THR CA C 54 60.148 60.357 -0.209 1 1 671 . 1 1 1 A 54 54 THR CB C 54 71.820 70.190 1.630 1 1 673 . 1 1 1 A 54 54 THR N N 54 112.280 113.651 -1.371 1 1 674 . 1 1 1 A 55 55 ALA H H 55 9.710 8.617 1.093 1 1 675 . 1 1 1 A 55 55 ALA HA H 55 5.354 5.181 0.173 1 1 679 . 1 1 1 A 55 55 ALA C C 55 176.720 178.234 -1.514 1 1 680 . 1 1 1 A 55 55 ALA CA C 55 50.568 50.862 -0.294 1 1 681 . 1 1 1 A 55 55 ALA CB C 55 24.180 21.634 2.546 1 1 682 . 1 1 1 A 55 55 ALA N N 55 126.340 126.995 -0.655 1 1 683 . 1 1 1 A 56 56 GLN H H 56 9.130 9.039 0.091 1 1 684 . 1 1 1 A 56 56 GLN HA H 56 5.030 4.272 0.758 1 1 691 . 1 1 1 A 56 56 GLN C C 56 174.960 175.693 -0.733 1 1 692 . 1 1 1 A 56 56 GLN CA C 56 56.820 58.421 -1.601 1 1 693 . 1 1 1 A 56 56 GLN CB C 56 29.180 28.986 0.194 1 1 695 . 1 1 1 A 56 56 GLN N N 56 118.540 121.534 -2.994 1 1 697 . 1 1 1 A 57 57 LYS H H 57 7.656 7.969 -0.313 1 1 698 . 1 1 1 A 57 57 LYS HA H 57 4.360 4.898 -0.538 1 1 707 . 1 1 1 A 57 57 LYS C C 57 172.490 174.912 -2.422 1 1 708 . 1 1 1 A 57 57 LYS CA C 57 54.351 54.620 -0.269 1 1 709 . 1 1 1 A 57 57 LYS CB C 57 35.360 34.591 0.769 1 1 713 . 1 1 1 A 57 57 LYS N N 57 116.270 118.067 -1.797 1 1 714 . 1 1 1 A 58 58 ASN H H 58 7.709 8.454 -0.745 1 1 715 . 1 1 1 A 58 58 ASN HA H 58 4.000 5.045 -1.045 1 1 720 . 1 1 1 A 58 58 ASN C C 58 175.490 175.368 0.122 1 1 721 . 1 1 1 A 58 58 ASN CA C 58 53.498 52.445 1.053 1 1 722 . 1 1 1 A 58 58 ASN CB C 58 38.538 39.343 -0.805 1 1 723 . 1 1 1 A 58 58 ASN N N 58 117.960 120.116 -2.156 1 1 725 . 1 1 1 A 59 59 LEU H H 59 7.940 8.436 -0.496 1 1 726 . 1 1 1 A 59 59 LEU HA H 59 3.950 4.695 -0.745 1 1 736 . 1 1 1 A 59 59 LEU C C 59 176.410 176.418 -0.008 1 1 737 . 1 1 1 A 59 59 LEU CA C 59 54.550 53.164 1.386 1 1 738 . 1 1 1 A 59 59 LEU CB C 59 42.370 43.477 -1.107 1 1 742 . 1 1 1 A 59 59 LEU N N 59 128.190 120.896 7.294 1 1 743 . 1 1 1 A 60 60 ARG H H 60 8.355 8.450 -0.095 1 1 744 . 1 1 1 A 60 60 ARG HA H 60 3.870 4.539 -0.669 1 1 752 . 1 1 1 A 60 60 ARG C C 60 175.350 175.805 -0.455 1 1 753 . 1 1 1 A 60 60 ARG CA C 60 56.695 56.343 0.352 1 1 754 . 1 1 1 A 60 60 ARG CB C 60 31.290 30.895 0.395 1 1 757 . 1 1 1 A 60 60 ARG N N 60 123.759 120.705 3.054 1 1 759 . 1 1 1 A 61 61 LYS H H 61 8.178 8.491 -0.313 1 1 760 . 1 1 1 A 61 61 LYS HA H 61 3.680 4.288 -0.608 1 1 769 . 1 1 1 A 61 61 LYS C C 61 177.290 176.331 0.959 1 1 770 . 1 1 1 A 61 61 LYS CA C 61 58.733 56.132 2.601 1 1 771 . 1 1 1 A 61 61 LYS CB C 61 31.564 33.182 -1.618 1 1 775 . 1 1 1 A 61 61 LYS N N 61 125.600 125.591 0.009 1 1 776 . 1 1 1 A 62 62 GLU H H 62 8.949 8.939 0.010 1 1 777 . 1 1 1 A 62 62 GLU HA H 62 3.340 3.921 -0.581 1 1 782 . 1 1 1 A 62 62 GLU C C 62 176.170 175.044 1.126 1 1 783 . 1 1 1 A 62 62 GLU CA C 62 59.156 57.805 1.351 1 1 784 . 1 1 1 A 62 62 GLU CB C 62 28.040 29.298 -1.258 1 1 786 . 1 1 1 A 62 62 GLU N N 62 112.860 119.960 -7.100 1 1 787 . 1 1 1 A 63 63 ALA H H 63 7.604 7.745 -0.141 1 1 788 . 1 1 1 A 63 63 ALA HA H 63 4.020 4.509 -0.489 1 1 792 . 1 1 1 A 63 63 ALA C C 63 175.530 176.385 -0.855 1 1 793 . 1 1 1 A 63 63 ALA CA C 63 53.074 51.762 1.312 1 1 794 . 1 1 1 A 63 63 ALA CB C 63 19.323 20.968 -1.645 1 1 795 . 1 1 1 A 63 63 ALA N N 63 122.700 123.112 -0.412 1 1 796 . 1 1 1 A 64 64 PHE H H 64 8.876 9.038 -0.162 1 1 797 . 1 1 1 A 64 64 PHE HA H 64 5.470 5.361 0.109 1 1 802 . 1 1 1 A 64 64 PHE C C 64 175.480 174.753 0.727 1 1 803 . 1 1 1 A 64 64 PHE CA C 64 56.780 56.907 -0.127 1 1 804 . 1 1 1 A 64 64 PHE CB C 64 41.566 39.870 1.696 1 1 807 . 1 1 1 A 64 64 PHE N N 64 118.670 119.103 -0.433 1 1 808 . 1 1 1 A 65 65 LEU H H 65 8.870 9.300 -0.430 1 1 809 . 1 1 1 A 65 65 LEU HA H 65 5.390 5.165 0.225 1 1 819 . 1 1 1 A 65 65 LEU C C 65 176.030 174.931 1.099 1 1 820 . 1 1 1 A 65 65 LEU CA C 65 52.926 54.050 -1.124 1 1 821 . 1 1 1 A 65 65 LEU CB C 65 45.561 44.169 1.392 1 1 825 . 1 1 1 A 65 65 LEU N N 65 118.700 126.516 -7.816 1 1 826 . 1 1 1 A 66 66 ARG H H 66 9.031 9.146 -0.115 1 1 827 . 1 1 1 A 66 66 ARG HA H 66 4.345 4.677 -0.332 1 1 835 . 1 1 1 A 66 66 ARG C C 66 174.220 174.994 -0.774 1 1 836 . 1 1 1 A 66 66 ARG CA C 66 54.957 55.949 -0.992 1 1 837 . 1 1 1 A 66 66 ARG CB C 66 32.885 30.799 2.086 1 1 840 . 1 1 1 A 66 66 ARG N N 66 121.590 126.747 -5.157 1 1 842 . 1 1 1 A 67 67 VAL H H 67 9.359 8.668 0.691 1 1 843 . 1 1 1 A 67 67 VAL HA H 67 4.400 4.549 -0.149 1 1 851 . 1 1 1 A 67 67 VAL C C 67 174.070 175.126 -1.056 1 1 852 . 1 1 1 A 67 67 VAL CA C 67 60.910 61.405 -0.495 1 1 853 . 1 1 1 A 67 67 VAL CB C 67 33.960 32.525 1.435 1 1 856 . 1 1 1 A 67 67 VAL N N 67 126.230 125.872 0.358 1 1 857 . 1 1 1 A 68 68 TYR H H 68 8.710 8.997 -0.287 1 1 858 . 1 1 1 A 68 68 TYR HA H 68 5.070 5.039 0.031 1 1 865 . 1 1 1 A 68 68 TYR C C 68 175.390 175.069 0.321 1 1 866 . 1 1 1 A 68 68 TYR CA C 68 57.290 59.257 -1.967 1 1 867 . 1 1 1 A 68 68 TYR CB C 68 38.690 39.449 -0.759 1 1 872 . 1 1 1 A 68 68 TYR N N 68 125.200 129.222 -4.022 1 1 873 . 1 1 1 A 69 69 HIS H H 69 9.224 8.817 0.407 1 1 874 . 1 1 1 A 69 69 HIS HA H 69 5.200 5.449 -0.249 1 1 879 . 1 1 1 A 69 69 HIS C C 69 173.600 172.639 0.961 1 1 880 . 1 1 1 A 69 69 HIS CA C 69 56.502 54.643 1.859 1 1 881 . 1 1 1 A 69 69 HIS CB C 69 35.873 33.427 2.446 1 1 884 . 1 1 1 A 69 69 HIS N N 69 124.780 126.906 -2.126 1 1 885 . 1 1 1 A 70 70 SER H H 70 7.425 8.112 -0.687 1 1 886 . 1 1 1 A 70 70 SER HA H 70 4.800 4.645 0.155 1 1 889 . 1 1 1 A 70 70 SER C C 70 173.790 174.077 -0.287 1 1 890 . 1 1 1 A 70 70 SER CA C 70 56.840 57.201 -0.361 1 1 891 . 1 1 1 A 70 70 SER CB C 70 66.500 67.025 -0.525 1 1 892 . 1 1 1 A 70 70 SER N N 70 118.910 121.417 -2.507 1 1 893 . 1 1 1 A 71 71 ASP H H 71 9.020 9.055 -0.035 1 1 894 . 1 1 1 A 71 71 ASP HA H 71 4.390 4.265 0.125 1 1 897 . 1 1 1 A 71 71 ASP C C 71 178.030 177.930 0.100 1 1 898 . 1 1 1 A 71 71 ASP CA C 71 57.220 57.111 0.109 1 1 899 . 1 1 1 A 71 71 ASP CB C 71 40.622 39.730 0.892 1 1 900 . 1 1 1 A 71 71 ASP N N 71 123.340 123.921 -0.581 1 1 901 . 1 1 1 A 72 72 LYS H H 72 8.220 7.912 0.308 1 1 902 . 1 1 1 A 72 72 LYS HA H 72 4.123 4.178 -0.055 1 1 911 . 1 1 1 A 72 72 LYS C C 72 177.560 176.622 0.938 1 1 912 . 1 1 1 A 72 72 LYS CA C 72 58.383 58.273 0.110 1 1 913 . 1 1 1 A 72 72 LYS CB C 72 32.778 32.268 0.510 1 1 917 . 1 1 1 A 72 72 LYS N N 72 116.640 117.309 -0.669 1 1 918 . 1 1 1 A 73 73 LYS H H 73 7.367 7.447 -0.080 1 1 919 . 1 1 1 A 73 73 LYS HA H 73 4.449 4.597 -0.148 1 1 928 . 1 1 1 A 73 73 LYS C C 73 176.750 176.785 -0.035 1 1 929 . 1 1 1 A 73 73 LYS CA C 73 55.614 55.395 0.219 1 1 930 . 1 1 1 A 73 73 LYS CB C 73 33.910 34.577 -0.667 1 1 934 . 1 1 1 A 73 73 LYS N N 73 115.780 119.563 -3.783 1 1 935 . 1 1 1 A 74 74 GLY H H 74 8.240 8.507 -0.267 1 1 936 . 1 1 1 A 74 74 GLY HA2 H 74 3.630 3.573 0.057 1 1 937 . 1 1 1 A 74 74 GLY HA3 H 74 4.240 3.819 0.421 1 1 938 . 1 1 1 A 74 74 GLY C C 74 174.817 173.650 1.167 1 1 939 . 1 1 1 A 74 74 GLY CA C 74 45.075 47.178 -2.103 1 1 940 . 1 1 1 A 74 74 GLY N N 74 110.370 108.807 1.563 1 1 941 . 1 1 1 A 75 75 VAL H H 75 9.140 8.001 1.139 1 1 942 . 1 1 1 A 75 75 VAL HA H 75 4.640 4.836 -0.196 1 1 950 . 1 1 1 A 75 75 VAL C C 75 177.000 175.140 1.860 1 1 951 . 1 1 1 A 75 75 VAL CA C 75 63.550 60.652 2.898 1 1 952 . 1 1 1 A 75 75 VAL CB C 75 32.237 35.115 -2.878 1 1 955 . 1 1 1 A 75 75 VAL N N 75 124.300 121.565 2.735 1 1 956 . 1 1 1 A 76 76 SER H H 76 9.020 9.370 -0.350 1 1 957 . 1 1 1 A 76 76 SER HA H 76 4.640 4.896 -0.256 1 1 960 . 1 1 1 A 76 76 SER C C 76 174.250 173.600 0.650 1 1 961 . 1 1 1 A 76 76 SER CA C 76 58.440 59.426 -0.986 1 1 962 . 1 1 1 A 76 76 SER CB C 76 64.550 66.025 -1.475 1 1 963 . 1 1 1 A 76 76 SER N N 76 122.490 119.948 2.542 1 1 964 . 1 1 1 A 77 77 ALA H H 77 7.890 8.328 -0.438 1 1 965 . 1 1 1 A 77 77 ALA HA H 77 4.420 4.641 -0.221 1 1 969 . 1 1 1 A 77 77 ALA C C 77 174.430 176.536 -2.106 1 1 970 . 1 1 1 A 77 77 ALA CA C 77 51.940 50.554 1.386 1 1 971 . 1 1 1 A 77 77 ALA CB C 77 22.234 21.828 0.406 1 1 972 . 1 1 1 A 77 77 ALA N N 77 122.930 121.106 1.824 1 1 973 . 1 1 1 A 78 78 TRP H H 78 7.776 8.279 -0.503 1 1 974 . 1 1 1 A 78 78 TRP HA H 78 5.690 5.538 0.152 1 1 982 . 1 1 1 A 78 78 TRP C C 78 174.450 173.595 0.855 1 1 983 . 1 1 1 A 78 78 TRP CA C 78 55.899 55.442 0.457 1 1 984 . 1 1 1 A 78 78 TRP CB C 78 32.602 32.037 0.565 1 1 989 . 1 1 1 A 78 78 TRP N N 78 114.705 117.959 -3.254 1 1 991 . 1 1 1 A 79 79 GLU H H 79 9.210 8.909 0.301 1 1 992 . 1 1 1 A 79 79 GLU HA H 79 4.730 5.239 -0.509 1 1 997 . 1 1 1 A 79 79 GLU C C 79 174.130 175.431 -1.301 1 1 998 . 1 1 1 A 79 79 GLU CA C 79 54.939 54.880 0.059 1 1 999 . 1 1 1 A 79 79 GLU CB C 79 31.656 34.078 -2.422 1 1 1001 . 1 1 1 A 79 79 GLU N N 79 114.860 119.830 -4.970 1 1 1002 . 1 1 1 A 80 80 GLU H H 80 9.120 8.853 0.267 1 1 1003 . 1 1 1 A 80 80 GLU HA H 80 5.030 4.966 0.064 1 1 1008 . 1 1 1 A 80 80 GLU C C 80 176.580 176.142 0.438 1 1 1009 . 1 1 1 A 80 80 GLU CA C 80 57.193 56.019 1.174 1 1 1010 . 1 1 1 A 80 80 GLU CB C 80 29.856 30.879 -1.023 1 1 1012 . 1 1 1 A 80 80 GLU N N 80 123.960 121.765 2.195 1 1 1013 . 1 1 1 A 81 81 VAL H H 81 8.694 9.245 -0.551 1 1 1014 . 1 1 1 A 81 81 VAL HA H 81 4.780 5.080 -0.300 1 1 1022 . 1 1 1 A 81 81 VAL C C 81 174.460 175.096 -0.636 1 1 1023 . 1 1 1 A 81 81 VAL CA C 81 58.927 58.894 0.033 1 1 1024 . 1 1 1 A 81 81 VAL CB C 81 35.550 36.353 -0.803 1 1 1027 . 1 1 1 A 81 81 VAL N N 81 118.990 118.199 0.791 1 1 1028 . 1 1 1 A 82 82 LYS H H 82 8.708 8.605 0.103 1 1 1029 . 1 1 1 A 82 82 LYS HA H 82 4.580 5.080 -0.500 1 1 1038 . 1 1 1 A 82 82 LYS C C 82 178.380 177.525 0.855 1 1 1039 . 1 1 1 A 82 82 LYS CA C 82 55.212 54.516 0.696 1 1 1040 . 1 1 1 A 82 82 LYS CB C 82 33.689 34.920 -1.231 1 1 1044 . 1 1 1 A 82 82 LYS N N 82 120.850 120.626 0.224 1 1 1045 . 1 1 1 A 83 83 LYS H H 83 8.870 8.900 -0.030 1 1 1046 . 1 1 1 A 83 83 LYS HA H 83 3.180 3.619 -0.439 1 1 1055 . 1 1 1 A 83 83 LYS C C 83 177.690 178.098 -0.408 1 1 1056 . 1 1 1 A 83 83 LYS CA C 83 59.370 58.372 0.998 1 1 1057 . 1 1 1 A 83 83 LYS CB C 83 32.209 31.598 0.611 1 1 1061 . 1 1 1 A 83 83 LYS N N 83 121.435 121.192 0.243 1 1 1062 . 1 1 1 A 84 84 ASP H H 84 8.059 8.043 0.016 1 1 1063 . 1 1 1 A 84 84 ASP HA H 84 4.220 4.357 -0.137 1 1 1066 . 1 1 1 A 84 84 ASP C C 84 177.100 178.921 -1.821 1 1 1067 . 1 1 1 A 84 84 ASP CA C 84 55.680 56.773 -1.093 1 1 1068 . 1 1 1 A 84 84 ASP CB C 84 40.392 40.310 0.082 1 1 1069 . 1 1 1 A 84 84 ASP N N 84 112.520 119.559 -7.039 1 1 1070 . 1 1 1 A 85 85 GLU H H 85 7.686 7.717 -0.031 1 1 1071 . 1 1 1 A 85 85 GLU HA H 85 4.136 4.339 -0.203 1 1 1076 . 1 1 1 A 85 85 GLU C C 85 176.270 177.468 -1.198 1 1 1077 . 1 1 1 A 85 85 GLU CA C 85 56.133 57.860 -1.727 1 1 1078 . 1 1 1 A 85 85 GLU CB C 85 30.479 30.178 0.301 1 1 1080 . 1 1 1 A 85 85 GLU N N 85 116.930 117.036 -0.106 1 1 1081 . 1 1 1 A 86 86 LEU H H 86 7.017 7.216 -0.199 1 1 1082 . 1 1 1 A 86 86 LEU HA H 86 3.710 4.392 -0.682 1 1 1092 . 1 1 1 A 86 86 LEU CA C 86 52.600 53.331 -0.731 1 1 1093 . 1 1 1 A 86 86 LEU CB C 86 42.120 40.630 1.490 1 1 1097 . 1 1 1 A 86 86 LEU N N 86 119.530 121.956 -2.426 1 1 1098 . 1 1 1 A 87 87 PRO HA H 87 4.330 4.497 -0.167 1 1 1105 . 1 1 1 A 87 87 PRO C C 87 176.940 177.516 -0.576 1 1 1106 . 1 1 1 A 87 87 PRO CA C 87 62.400 62.843 -0.443 1 1 1107 . 1 1 1 A 87 87 PRO CB C 87 32.537 32.563 -0.026 1 1 1110 . 1 1 1 A 88 88 ALA H H 88 8.943 8.655 0.288 1 1 1111 . 1 1 1 A 88 88 ALA HA H 88 3.780 3.960 -0.180 1 1 1115 . 1 1 1 A 88 88 ALA C C 88 180.520 179.532 0.988 1 1 1116 . 1 1 1 A 88 88 ALA CA C 88 56.911 54.950 1.961 1 1 1117 . 1 1 1 A 88 88 ALA CB C 88 18.502 18.186 0.316 1 1 1118 . 1 1 1 A 88 88 ALA N N 88 128.160 127.108 1.052 1 1 1119 . 1 1 1 A 89 89 LYS H H 89 9.270 7.904 1.366 1 1 1120 . 1 1 1 A 89 89 LYS HA H 89 3.990 4.053 -0.063 1 1 1129 . 1 1 1 A 89 89 LYS C C 89 179.070 178.415 0.655 1 1 1130 . 1 1 1 A 89 89 LYS CA C 89 58.648 58.986 -0.338 1 1 1131 . 1 1 1 A 89 89 LYS CB C 89 31.962 32.250 -0.288 1 1 1135 . 1 1 1 A 89 89 LYS N N 89 115.610 119.012 -3.402 1 1 1136 . 1 1 1 A 90 90 VAL H H 90 6.846 8.055 -1.209 1 1 1137 . 1 1 1 A 90 90 VAL HA H 90 3.230 3.373 -0.143 1 1 1145 . 1 1 1 A 90 90 VAL C C 90 177.100 178.292 -1.192 1 1 1146 . 1 1 1 A 90 90 VAL CA C 90 65.870 66.639 -0.769 1 1 1147 . 1 1 1 A 90 90 VAL CB C 90 30.880 31.176 -0.296 1 1 1150 . 1 1 1 A 90 90 VAL N N 90 117.560 119.412 -1.852 1 1 1151 . 1 1 1 A 91 91 LYS H H 91 7.850 7.694 0.156 1 1 1152 . 1 1 1 A 91 91 LYS HA H 91 3.430 3.932 -0.502 1 1 1161 . 1 1 1 A 91 91 LYS C C 91 178.420 178.675 -0.255 1 1 1162 . 1 1 1 A 91 91 LYS CA C 91 61.028 58.778 2.250 1 1 1163 . 1 1 1 A 91 91 LYS CB C 91 32.387 31.587 0.800 1 1 1167 . 1 1 1 A 91 91 LYS N N 91 118.750 119.278 -0.528 1 1 1168 . 1 1 1 A 92 92 GLU H H 92 7.282 7.664 -0.382 1 1 1169 . 1 1 1 A 92 92 GLU HA H 92 3.990 4.144 -0.154 1 1 1174 . 1 1 1 A 92 92 GLU C C 92 179.380 178.561 0.819 1 1 1175 . 1 1 1 A 92 92 GLU CA C 92 59.030 58.424 0.606 1 1 1176 . 1 1 1 A 92 92 GLU CB C 92 29.841 29.161 0.680 1 1 1178 . 1 1 1 A 92 92 GLU N N 92 115.375 118.738 -3.363 1 1 1179 . 1 1 1 A 93 93 LYS H H 93 7.343 7.764 -0.421 1 1 1180 . 1 1 1 A 93 93 LYS HA H 93 3.800 4.149 -0.349 1 1 1189 . 1 1 1 A 93 93 LYS C C 93 178.310 175.704 2.606 1 1 1190 . 1 1 1 A 93 93 LYS CA C 93 56.970 58.007 -1.037 1 1 1191 . 1 1 1 A 93 93 LYS CB C 93 30.740 33.500 -2.760 1 1 1195 . 1 1 1 A 93 93 LYS N N 93 118.370 119.630 -1.260 1 1 1196 . 1 1 1 A 94 94 LEU H H 94 8.000 7.732 0.268 1 1 1197 . 1 1 1 A 94 94 LEU HA H 94 4.360 4.616 -0.256 1 1 1207 . 1 1 1 A 94 94 LEU C C 94 177.350 176.907 0.443 1 1 1208 . 1 1 1 A 94 94 LEU CA C 94 54.765 53.517 1.248 1 1 1209 . 1 1 1 A 94 94 LEU CB C 94 42.796 43.917 -1.121 1 1 1213 . 1 1 1 A 94 94 LEU N N 94 115.600 118.727 -3.127 1 1 1214 . 1 1 1 A 95 95 GLY H H 95 7.601 8.767 -1.166 1 1 1215 . 1 1 1 A 95 95 GLY HA2 H 95 3.830 3.877 -0.047 1 1 1216 . 1 1 1 A 95 95 GLY HA3 H 95 3.950 3.891 0.059 1 1 1217 . 1 1 1 A 95 95 GLY C C 95 174.790 174.833 -0.043 1 1 1218 . 1 1 1 A 95 95 GLY CA C 95 46.550 45.144 1.406 1 1 1219 . 1 1 1 A 95 95 GLY N N 95 108.540 112.333 -3.793 1 1 1220 . 1 1 1 A 96 96 VAL H H 96 7.957 7.679 0.278 1 1 1221 . 1 1 1 A 96 96 VAL HA H 96 3.940 3.726 0.214 1 1 1229 . 1 1 1 A 96 96 VAL C C 96 175.540 175.792 -0.252 1 1 1230 . 1 1 1 A 96 96 VAL CA C 96 62.314 62.426 -0.112 1 1 1231 . 1 1 1 A 96 96 VAL CB C 96 32.155 31.899 0.256 1 1 1234 . 1 1 1 A 96 96 VAL N N 96 119.490 122.285 -2.795 1 1 1235 . 1 1 1 A 97 97 LYS H H 97 8.293 8.884 -0.591 1 1 1236 . 1 1 1 A 97 97 LYS HA H 97 4.210 4.968 -0.758 1 1 1245 . 1 1 1 A 97 97 LYS C C 97 176.290 175.902 0.388 1 1 1246 . 1 1 1 A 97 97 LYS CA C 97 56.174 54.424 1.750 1 1 1247 . 1 1 1 A 97 97 LYS CB C 97 33.200 35.730 -2.530 1 1 1251 . 1 1 1 A 97 97 LYS N N 97 126.120 124.285 1.835 1 1 1252 . 1 1 1 A 98 98 LEU H H 98 8.315 8.453 -0.138 1 1 1253 . 1 1 1 A 98 98 LEU HA H 98 4.240 4.503 -0.263 1 1 1263 . 1 1 1 A 98 98 LEU C C 98 176.930 176.497 0.433 1 1 1264 . 1 1 1 A 98 98 LEU CA C 98 54.800 53.947 0.853 1 1 1265 . 1 1 1 A 98 98 LEU CB C 98 42.217 43.277 -1.060 1 1 1269 . 1 1 1 A 98 98 LEU N N 98 124.170 117.995 6.175 1 1 1270 . 1 1 1 A 99 99 GLU H H 99 8.375 9.148 -0.773 1 1 1271 . 1 1 1 A 99 99 GLU HA H 99 4.175 4.231 -0.056 1 1 1276 . 1 1 1 A 99 99 GLU C C 99 176.035 176.951 -0.916 1 1 1277 . 1 1 1 A 99 99 GLU CA C 99 56.352 57.811 -1.459 1 1 1278 . 1 1 1 A 99 99 GLU CB C 99 30.460 29.881 0.579 1 1 1280 . 1 1 1 A 99 99 GLU N N 99 122.010 119.437 2.573 1 1 1281 . 1 1 1 A 100 100 HIS H H 100 8.350 8.073 0.277 1 1 1282 . 1 1 1 A 100 100 HIS HA H 100 4.565 4.358 0.207 1 1 1285 . 1 1 1 A 100 100 HIS C C 100 173.880 176.389 -2.509 1 1 1286 . 1 1 1 A 100 100 HIS CA C 100 56.050 57.512 -1.462 1 1 1287 . 1 1 1 A 100 100 HIS CB C 100 30.144 30.485 -0.341 1 1 1288 . 1 1 1 A 100 100 HIS N N 100 120.245 119.573 0.672 1 1 1289 . 1 1 1 A 101 101 HIS H H 101 8.134 7.750 0.384 1 1 1290 . 1 1 1 A 101 101 HIS HA H 101 4.410 4.447 -0.037 1 1 1293 . 1 1 1 A 101 101 HIS CA C 101 57.290 56.144 1.146 1 1 1294 . 1 1 1 A 101 101 HIS CB C 101 31.450 29.268 2.182 1 1 1 . 2 1 1 A 2 2 ASP HA H 2 4.670 4.779 -0.109 1 1 4 . 2 1 1 A 2 2 ASP C C 2 176.480 176.874 -0.394 1 1 5 . 2 1 1 A 2 2 ASP CA C 2 53.400 53.565 -0.165 1 1 6 . 2 1 1 A 2 2 ASP CB C 2 41.170 38.984 2.186 1 1 7 . 2 1 1 A 3 3 LEU H H 3 8.650 8.109 0.541 1 1 8 . 2 1 1 A 3 3 LEU HA H 3 4.116 4.390 -0.274 1 1 18 . 2 1 1 A 3 3 LEU C C 3 177.880 178.440 -0.560 1 1 19 . 2 1 1 A 3 3 LEU CA C 3 56.390 55.208 1.182 1 1 20 . 2 1 1 A 3 3 LEU CB C 3 41.660 41.757 -0.097 1 1 24 . 2 1 1 A 3 3 LEU N N 3 125.300 120.900 4.400 1 1 25 . 2 1 1 A 4 4 ASN H H 4 8.370 7.763 0.607 1 1 26 . 2 1 1 A 4 4 ASN HA H 4 4.490 4.413 0.077 1 1 31 . 2 1 1 A 4 4 ASN C C 4 175.050 176.278 -1.228 1 1 32 . 2 1 1 A 4 4 ASN CA C 4 54.320 56.424 -2.104 1 1 33 . 2 1 1 A 4 4 ASN CB C 4 38.240 38.335 -0.095 1 1 34 . 2 1 1 A 4 4 ASN N N 4 116.550 118.759 -2.209 1 1 36 . 2 1 1 A 5 5 ARG H H 5 7.645 7.918 -0.273 1 1 37 . 2 1 1 A 5 5 ARG HA H 5 3.920 4.469 -0.549 1 1 45 . 2 1 1 A 5 5 ARG C C 5 176.030 174.893 1.137 1 1 46 . 2 1 1 A 5 5 ARG CA C 5 56.180 54.954 1.226 1 1 47 . 2 1 1 A 5 5 ARG CB C 5 31.570 30.146 1.424 1 1 50 . 2 1 1 A 5 5 ARG N N 5 118.590 115.948 2.642 1 1 52 . 2 1 1 A 6 6 MET H H 6 7.809 7.215 0.594 1 1 53 . 2 1 1 A 6 6 MET HA H 6 4.355 4.775 -0.420 1 1 58 . 2 1 1 A 6 6 MET C C 6 176.940 175.859 1.081 1 1 59 . 2 1 1 A 6 6 MET CA C 6 56.290 53.816 2.474 1 1 60 . 2 1 1 A 6 6 MET CB C 6 33.020 32.663 0.357 1 1 62 . 2 1 1 A 6 6 MET N N 6 120.180 120.507 -0.327 1 1 63 . 2 1 1 A 7 7 GLY H H 7 8.906 8.691 0.215 1 1 64 . 2 1 1 A 7 7 GLY HA2 H 7 3.870 4.239 -0.369 1 1 65 . 2 1 1 A 7 7 GLY HA3 H 7 3.950 4.282 -0.332 1 1 66 . 2 1 1 A 7 7 GLY C C 7 174.280 174.067 0.213 1 1 67 . 2 1 1 A 7 7 GLY CA C 7 46.110 46.020 0.090 1 1 68 . 2 1 1 A 7 7 GLY N N 7 112.660 112.882 -0.222 1 1 69 . 2 1 1 A 8 8 LYS H H 8 7.819 8.165 -0.346 1 1 70 . 2 1 1 A 8 8 LYS HA H 8 4.550 4.371 0.179 1 1 79 . 2 1 1 A 8 8 LYS C C 8 176.060 175.311 0.749 1 1 80 . 2 1 1 A 8 8 LYS CA C 8 54.444 56.729 -2.285 1 1 81 . 2 1 1 A 8 8 LYS CB C 8 33.760 32.921 0.839 1 1 85 . 2 1 1 A 8 8 LYS N N 8 119.130 122.770 -3.640 1 1 86 . 2 1 1 A 9 9 ASP H H 9 8.790 8.159 0.631 1 1 87 . 2 1 1 A 9 9 ASP HA H 9 4.730 4.663 0.067 1 1 90 . 2 1 1 A 9 9 ASP C C 9 174.530 175.774 -1.244 1 1 91 . 2 1 1 A 9 9 ASP CA C 9 54.560 54.544 0.016 1 1 92 . 2 1 1 A 9 9 ASP CB C 9 42.530 40.653 1.877 1 1 93 . 2 1 1 A 9 9 ASP N N 9 121.550 122.257 -0.707 1 1 94 . 2 1 1 A 10 10 GLU H H 10 7.950 8.402 -0.452 1 1 95 . 2 1 1 A 10 10 GLU HA H 10 4.570 5.275 -0.705 1 1 100 . 2 1 1 A 10 10 GLU C C 10 174.080 175.156 -1.076 1 1 101 . 2 1 1 A 10 10 GLU CA C 10 54.640 55.357 -0.717 1 1 102 . 2 1 1 A 10 10 GLU CB C 10 31.380 30.612 0.768 1 1 104 . 2 1 1 A 10 10 GLU N N 10 119.640 124.359 -4.719 1 1 105 . 2 1 1 A 11 11 TYR H H 11 8.767 9.237 -0.470 1 1 106 . 2 1 1 A 11 11 TYR HA H 11 4.555 4.841 -0.286 1 1 113 . 2 1 1 A 11 11 TYR C C 11 173.480 174.768 -1.288 1 1 114 . 2 1 1 A 11 11 TYR CA C 11 56.360 56.397 -0.037 1 1 115 . 2 1 1 A 11 11 TYR CB C 11 43.860 39.872 3.988 1 1 120 . 2 1 1 A 11 11 TYR N N 11 120.960 123.825 -2.865 1 1 121 . 2 1 1 A 12 12 TYR H H 12 9.290 8.808 0.482 1 1 122 . 2 1 1 A 12 12 TYR HA H 12 5.730 5.026 0.704 1 1 129 . 2 1 1 A 12 12 TYR C C 12 175.700 176.153 -0.453 1 1 130 . 2 1 1 A 12 12 TYR CA C 12 56.680 57.570 -0.890 1 1 131 . 2 1 1 A 12 12 TYR CB C 12 42.180 37.938 4.242 1 1 136 . 2 1 1 A 12 12 TYR N N 12 118.880 122.469 -3.589 1 1 137 . 2 1 1 A 13 13 VAL H H 13 8.670 8.951 -0.281 1 1 138 . 2 1 1 A 13 13 VAL HA H 13 5.050 5.201 -0.151 1 1 146 . 2 1 1 A 13 13 VAL C C 13 174.820 174.144 0.676 1 1 147 . 2 1 1 A 13 13 VAL CA C 13 58.130 59.580 -1.450 1 1 148 . 2 1 1 A 13 13 VAL CB C 13 35.890 34.568 1.322 1 1 151 . 2 1 1 A 13 13 VAL N N 13 112.280 118.811 -6.531 1 1 152 . 2 1 1 A 14 14 GLN H H 14 8.760 8.799 -0.039 1 1 153 . 2 1 1 A 14 14 GLN HA H 14 5.090 4.853 0.237 1 1 160 . 2 1 1 A 14 14 GLN C C 14 175.000 174.213 0.787 1 1 161 . 2 1 1 A 14 14 GLN CA C 14 53.520 54.021 -0.501 1 1 162 . 2 1 1 A 14 14 GLN CB C 14 31.250 32.194 -0.944 1 1 164 . 2 1 1 A 14 14 GLN N N 14 120.910 120.238 0.672 1 1 166 . 2 1 1 A 15 15 ILE H H 15 8.843 8.808 0.035 1 1 167 . 2 1 1 A 15 15 ILE HA H 15 3.900 4.106 -0.206 1 1 177 . 2 1 1 A 15 15 ILE C C 15 177.090 176.974 0.116 1 1 178 . 2 1 1 A 15 15 ILE CA C 15 59.269 61.685 -2.416 1 1 179 . 2 1 1 A 15 15 ILE CB C 15 34.050 36.912 -2.862 1 1 183 . 2 1 1 A 15 15 ILE N N 15 125.520 127.295 -1.775 1 1 184 . 2 1 1 A 16 16 THR H H 16 7.996 8.109 -0.113 1 1 185 . 2 1 1 A 16 16 THR HA H 16 4.540 4.353 0.187 1 1 190 . 2 1 1 A 16 16 THR C C 16 173.650 174.685 -1.035 1 1 191 . 2 1 1 A 16 16 THR CA C 16 61.180 63.398 -2.218 1 1 192 . 2 1 1 A 16 16 THR CB C 16 69.300 68.788 0.512 1 1 194 . 2 1 1 A 16 16 THR N N 16 118.080 118.732 -0.652 1 1 195 . 2 1 1 A 17 17 VAL H H 17 7.240 7.573 -0.333 1 1 196 . 2 1 1 A 17 17 VAL HA H 17 4.659 4.256 0.403 1 1 204 . 2 1 1 A 17 17 VAL C C 17 175.135 175.309 -0.174 1 1 205 . 2 1 1 A 17 17 VAL CA C 17 58.870 61.024 -2.154 1 1 206 . 2 1 1 A 17 17 VAL CB C 17 36.070 32.748 3.322 1 1 209 . 2 1 1 A 17 17 VAL N N 17 113.230 118.320 -5.090 1 1 210 . 2 1 1 A 18 18 ASP H H 18 8.280 8.499 -0.219 1 1 211 . 2 1 1 A 18 18 ASP HA H 18 5.010 4.912 0.098 1 1 214 . 2 1 1 A 18 18 ASP C C 18 177.350 175.625 1.725 1 1 215 . 2 1 1 A 18 18 ASP CA C 18 54.765 51.727 3.038 1 1 216 . 2 1 1 A 18 18 ASP CB C 18 42.120 43.127 -1.007 1 1 217 . 2 1 1 A 18 18 ASP N N 18 120.730 125.416 -4.686 1 1 218 . 2 1 1 A 19 19 GLY H H 19 8.951 8.526 0.425 1 1 219 . 2 1 1 A 19 19 GLY HA2 H 19 2.920 3.785 -0.865 1 1 220 . 2 1 1 A 19 19 GLY HA3 H 19 2.978 3.814 -0.836 1 1 221 . 2 1 1 A 19 19 GLY C C 19 172.450 174.585 -2.135 1 1 222 . 2 1 1 A 19 19 GLY CA C 19 45.370 45.587 -0.217 1 1 223 . 2 1 1 A 19 19 GLY N N 19 110.580 109.439 1.141 1 1 224 . 2 1 1 A 20 20 LYS H H 20 8.110 7.625 0.485 1 1 225 . 2 1 1 A 20 20 LYS HA H 20 4.374 4.373 0.001 1 1 234 . 2 1 1 A 20 20 LYS C C 20 175.710 175.550 0.160 1 1 235 . 2 1 1 A 20 20 LYS CA C 20 54.800 55.794 -0.994 1 1 236 . 2 1 1 A 20 20 LYS CB C 20 33.240 33.442 -0.202 1 1 240 . 2 1 1 A 20 20 LYS N N 20 124.290 120.534 3.756 1 1 241 . 2 1 1 A 21 21 GLU H H 21 8.710 9.102 -0.392 1 1 242 . 2 1 1 A 21 21 GLU HA H 21 3.930 5.094 -1.164 1 1 247 . 2 1 1 A 21 21 GLU C C 21 175.960 174.965 0.995 1 1 248 . 2 1 1 A 21 21 GLU CA C 21 56.940 54.477 2.463 1 1 249 . 2 1 1 A 21 21 GLU CB C 21 30.439 33.591 -3.152 1 1 251 . 2 1 1 A 21 21 GLU N N 21 128.720 119.217 9.503 1 1 252 . 2 1 1 A 22 22 VAL H H 22 8.621 8.830 -0.209 1 1 253 . 2 1 1 A 22 22 VAL HA H 22 4.160 4.424 -0.264 1 1 261 . 2 1 1 A 22 22 VAL C C 22 175.210 175.847 -0.637 1 1 262 . 2 1 1 A 22 22 VAL CA C 22 61.027 61.274 -0.247 1 1 263 . 2 1 1 A 22 22 VAL CB C 22 34.501 31.178 3.323 1 1 266 . 2 1 1 A 22 22 VAL N N 22 125.340 117.562 7.778 1 1 267 . 2 1 1 A 23 23 HIS H H 23 8.607 8.509 0.098 1 1 268 . 2 1 1 A 23 23 HIS HA H 23 4.820 4.283 0.537 1 1 273 . 2 1 1 A 23 23 HIS C C 23 175.040 175.600 -0.560 1 1 274 . 2 1 1 A 23 23 HIS CA C 23 55.498 57.800 -2.302 1 1 275 . 2 1 1 A 23 23 HIS CB C 23 30.660 30.418 0.242 1 1 278 . 2 1 1 A 23 23 HIS N N 23 124.000 126.034 -2.034 1 1 279 . 2 1 1 A 24 24 SER H H 24 8.480 7.869 0.611 1 1 280 . 2 1 1 A 24 24 SER HA H 24 4.480 4.382 0.098 1 1 283 . 2 1 1 A 24 24 SER C C 24 173.860 174.440 -0.580 1 1 284 . 2 1 1 A 24 24 SER CA C 24 57.690 57.141 0.549 1 1 285 . 2 1 1 A 24 24 SER CB C 24 64.580 61.498 3.082 1 1 286 . 2 1 1 A 24 24 SER N N 24 118.250 114.752 3.498 1 1 287 . 2 1 1 A 25 25 LYS H H 25 8.517 8.300 0.217 1 1 288 . 2 1 1 A 25 25 LYS HA H 25 4.561 4.358 0.203 1 1 297 . 2 1 1 A 25 25 LYS C C 25 176.160 177.179 -1.019 1 1 298 . 2 1 1 A 25 25 LYS CA C 25 56.255 57.018 -0.763 1 1 299 . 2 1 1 A 25 25 LYS CB C 25 33.714 35.321 -1.607 1 1 303 . 2 1 1 A 25 25 LYS N N 25 122.750 125.285 -2.535 1 1 304 . 2 1 1 A 26 26 ALA H H 26 8.468 7.862 0.606 1 1 305 . 2 1 1 A 26 26 ALA HA H 26 4.470 3.695 0.775 1 1 309 . 2 1 1 A 26 26 ALA C C 26 177.950 178.763 -0.813 1 1 310 . 2 1 1 A 26 26 ALA CA C 26 51.912 52.989 -1.077 1 1 311 . 2 1 1 A 26 26 ALA CB C 26 20.050 18.221 1.829 1 1 312 . 2 1 1 A 26 26 ALA N N 26 125.370 122.493 2.877 1 1 313 . 2 1 1 A 27 27 ASP H H 27 8.509 8.377 0.132 1 1 314 . 2 1 1 A 27 27 ASP HA H 27 4.460 4.429 0.031 1 1 317 . 2 1 1 A 27 27 ASP C C 27 176.480 177.677 -1.197 1 1 318 . 2 1 1 A 27 27 ASP CA C 27 55.490 56.895 -1.405 1 1 319 . 2 1 1 A 27 27 ASP CB C 27 40.771 40.361 0.410 1 1 320 . 2 1 1 A 27 27 ASP N N 27 120.380 118.309 2.071 1 1 321 . 2 1 1 A 28 28 ASN H H 28 8.193 7.943 0.250 1 1 322 . 2 1 1 A 28 28 ASN HA H 28 4.620 4.796 -0.176 1 1 327 . 2 1 1 A 28 28 ASN C C 28 176.310 175.370 0.940 1 1 328 . 2 1 1 A 28 28 ASN CA C 28 53.050 53.156 -0.106 1 1 329 . 2 1 1 A 28 28 ASN CB C 28 38.080 39.051 -0.971 1 1 330 . 2 1 1 A 28 28 ASN N N 28 117.470 115.439 2.031 1 1 332 . 2 1 1 A 29 29 GLY H H 29 8.359 7.570 0.789 1 1 333 . 2 1 1 A 29 29 GLY HA2 H 29 4.110 4.161 -0.051 1 1 334 . 2 1 1 A 29 29 GLY HA3 H 29 3.720 4.197 -0.477 1 1 335 . 2 1 1 A 29 29 GLY C C 29 174.365 173.937 0.428 1 1 336 . 2 1 1 A 29 29 GLY CA C 29 45.688 45.669 0.019 1 1 337 . 2 1 1 A 29 29 GLY N N 29 108.230 105.787 2.443 1 1 338 . 2 1 1 A 30 30 GLN H H 30 7.920 8.348 -0.428 1 1 339 . 2 1 1 A 30 30 GLN HA H 30 4.200 4.387 -0.187 1 1 346 . 2 1 1 A 30 30 GLN C C 30 174.330 175.758 -1.428 1 1 347 . 2 1 1 A 30 30 GLN CA C 30 56.210 55.205 1.005 1 1 348 . 2 1 1 A 30 30 GLN CB C 30 29.320 27.784 1.536 1 1 350 . 2 1 1 A 30 30 GLN N N 30 119.670 119.913 -0.243 1 1 352 . 2 1 1 A 31 31 LYS H H 31 8.390 8.749 -0.359 1 1 353 . 2 1 1 A 31 31 LYS HA H 31 4.490 4.588 -0.098 1 1 362 . 2 1 1 A 31 31 LYS C C 31 176.052 175.332 0.720 1 1 363 . 2 1 1 A 31 31 LYS CA C 31 56.417 55.986 0.431 1 1 364 . 2 1 1 A 31 31 LYS CB C 31 33.414 35.109 -1.695 1 1 368 . 2 1 1 A 31 31 LYS N N 31 121.950 127.727 -5.777 1 1 369 . 2 1 1 A 32 32 TYR H H 32 8.160 7.980 0.180 1 1 370 . 2 1 1 A 32 32 TYR HA H 32 4.770 5.221 -0.451 1 1 377 . 2 1 1 A 32 32 TYR C C 32 175.560 174.332 1.228 1 1 378 . 2 1 1 A 32 32 TYR CA C 32 56.300 55.815 0.485 1 1 379 . 2 1 1 A 32 32 TYR CB C 32 40.074 41.310 -1.236 1 1 384 . 2 1 1 A 32 32 TYR N N 32 119.960 117.018 2.942 1 1 385 . 2 1 1 A 33 33 LYS H H 33 8.397 8.611 -0.214 1 1 386 . 2 1 1 A 33 33 LYS HA H 33 4.610 4.632 -0.022 1 1 395 . 2 1 1 A 33 33 LYS C C 33 174.080 175.145 -1.065 1 1 396 . 2 1 1 A 33 33 LYS CA C 33 55.512 54.620 0.892 1 1 397 . 2 1 1 A 33 33 LYS CB C 33 34.570 35.059 -0.489 1 1 401 . 2 1 1 A 33 33 LYS N N 33 122.080 124.341 -2.261 1 1 402 . 2 1 1 A 34 34 ASP H H 34 8.140 8.538 -0.398 1 1 403 . 2 1 1 A 34 34 ASP HA H 34 5.040 4.911 0.129 1 1 406 . 2 1 1 A 34 34 ASP C C 34 173.740 176.377 -2.637 1 1 407 . 2 1 1 A 34 34 ASP CA C 34 53.104 53.277 -0.173 1 1 408 . 2 1 1 A 34 34 ASP CB C 34 44.290 42.241 2.049 1 1 409 . 2 1 1 A 34 34 ASP N N 34 121.430 124.879 -3.449 1 1 410 . 2 1 1 A 35 35 TYR H H 35 8.849 8.763 0.086 1 1 411 . 2 1 1 A 35 35 TYR HA H 35 4.660 4.924 -0.264 1 1 418 . 2 1 1 A 35 35 TYR C C 35 174.450 175.376 -0.926 1 1 419 . 2 1 1 A 35 35 TYR CA C 35 57.177 58.424 -1.247 1 1 420 . 2 1 1 A 35 35 TYR CB C 35 40.955 39.332 1.623 1 1 425 . 2 1 1 A 35 35 TYR N N 35 116.670 120.712 -4.042 1 1 426 . 2 1 1 A 36 36 GLU H H 36 9.144 8.821 0.323 1 1 427 . 2 1 1 A 36 36 GLU HA H 36 4.615 5.114 -0.499 1 1 432 . 2 1 1 A 36 36 GLU C C 36 175.850 174.221 1.629 1 1 433 . 2 1 1 A 36 36 GLU CA C 36 55.700 54.922 0.778 1 1 434 . 2 1 1 A 36 36 GLU CB C 36 32.541 33.029 -0.488 1 1 436 . 2 1 1 A 36 36 GLU N N 36 122.490 121.563 0.927 1 1 437 . 2 1 1 A 37 37 TYR H H 37 8.598 9.297 -0.699 1 1 438 . 2 1 1 A 37 37 TYR HA H 37 4.090 4.884 -0.794 1 1 445 . 2 1 1 A 37 37 TYR C C 37 174.140 174.049 0.091 1 1 446 . 2 1 1 A 37 37 TYR CA C 37 58.399 56.058 2.341 1 1 447 . 2 1 1 A 37 37 TYR CB C 37 41.690 39.549 2.141 1 1 452 . 2 1 1 A 37 37 TYR N N 37 122.480 126.273 -3.793 1 1 453 . 2 1 1 A 38 38 LYS H H 38 8.410 8.815 -0.405 1 1 454 . 2 1 1 A 38 38 LYS HA H 38 5.080 4.587 0.493 1 1 463 . 2 1 1 A 38 38 LYS C C 38 174.980 174.722 0.258 1 1 464 . 2 1 1 A 38 38 LYS CA C 38 56.133 55.041 1.092 1 1 465 . 2 1 1 A 38 38 LYS CB C 38 33.525 32.226 1.299 1 1 469 . 2 1 1 A 38 38 LYS N N 38 124.250 125.925 -1.675 1 1 470 . 2 1 1 A 39 39 LEU H H 39 8.555 8.830 -0.275 1 1 471 . 2 1 1 A 39 39 LEU HA H 39 4.865 4.994 -0.129 1 1 480 . 2 1 1 A 39 39 LEU C C 39 175.120 176.056 -0.936 1 1 481 . 2 1 1 A 39 39 LEU CA C 39 53.316 53.196 0.120 1 1 482 . 2 1 1 A 39 39 LEU CB C 39 47.338 44.755 2.583 1 1 485 . 2 1 1 A 39 39 LEU N N 39 124.840 127.343 -2.503 1 1 486 . 2 1 1 A 40 40 THR H H 40 8.615 8.514 0.101 1 1 487 . 2 1 1 A 40 40 THR HA H 40 4.410 4.743 -0.333 1 1 492 . 2 1 1 A 40 40 THR C C 40 173.360 174.103 -0.743 1 1 493 . 2 1 1 A 40 40 THR CA C 40 63.200 60.635 2.565 1 1 494 . 2 1 1 A 40 40 THR CB C 40 69.100 69.882 -0.782 1 1 496 . 2 1 1 A 40 40 THR N N 40 118.390 116.959 1.431 1 1 497 . 2 1 1 A 41 41 GLY H H 41 8.545 9.237 -0.692 1 1 498 . 2 1 1 A 41 41 GLY HA2 H 41 3.030 4.101 -1.071 1 1 499 . 2 1 1 A 41 41 GLY HA3 H 41 4.910 4.187 0.723 1 1 500 . 2 1 1 A 41 41 GLY C C 41 171.375 172.601 -1.226 1 1 501 . 2 1 1 A 41 41 GLY CA C 41 43.963 44.852 -0.889 1 1 502 . 2 1 1 A 41 41 GLY N N 41 113.500 114.548 -1.048 1 1 503 . 2 1 1 A 42 42 PHE H H 42 8.650 8.938 -0.288 1 1 504 . 2 1 1 A 42 42 PHE HA H 42 5.910 5.381 0.529 1 1 512 . 2 1 1 A 42 42 PHE C C 42 176.670 175.848 0.822 1 1 513 . 2 1 1 A 42 42 PHE CA C 42 56.260 58.285 -2.025 1 1 514 . 2 1 1 A 42 42 PHE CB C 42 44.750 40.490 4.260 1 1 520 . 2 1 1 A 42 42 PHE N N 42 113.300 124.260 -10.960 1 1 521 . 2 1 1 A 43 43 ASP H H 43 9.040 8.945 0.095 1 1 522 . 2 1 1 A 43 43 ASP HA H 43 5.100 4.752 0.348 1 1 525 . 2 1 1 A 43 43 ASP C C 43 177.790 177.222 0.568 1 1 526 . 2 1 1 A 43 43 ASP CA C 43 51.990 53.915 -1.925 1 1 527 . 2 1 1 A 43 43 ASP CB C 43 41.660 41.816 -0.156 1 1 528 . 2 1 1 A 43 43 ASP N N 43 123.450 124.365 -0.915 1 1 529 . 2 1 1 A 44 44 LYS H H 44 8.689 8.748 -0.059 1 1 530 . 2 1 1 A 44 44 LYS HA H 44 3.920 3.967 -0.047 1 1 539 . 2 1 1 A 44 44 LYS C C 44 175.450 177.365 -1.915 1 1 540 . 2 1 1 A 44 44 LYS CA C 44 58.730 59.137 -0.407 1 1 541 . 2 1 1 A 44 44 LYS CB C 44 31.707 32.033 -0.326 1 1 545 . 2 1 1 A 44 44 LYS N N 44 113.360 124.104 -10.744 1 1 546 . 2 1 1 A 45 45 ASP H H 45 8.178 7.647 0.531 1 1 547 . 2 1 1 A 45 45 ASP HA H 45 4.930 4.748 0.182 1 1 550 . 2 1 1 A 45 45 ASP C C 45 176.710 176.337 0.373 1 1 551 . 2 1 1 A 45 45 ASP CA C 45 54.501 53.992 0.509 1 1 552 . 2 1 1 A 45 45 ASP CB C 45 42.260 41.476 0.784 1 1 553 . 2 1 1 A 45 45 ASP N N 45 119.050 116.760 2.290 1 1 554 . 2 1 1 A 46 46 GLY H H 46 8.853 8.162 0.691 1 1 555 . 2 1 1 A 46 46 GLY HA2 H 46 4.120 4.015 0.105 1 1 556 . 2 1 1 A 46 46 GLY HA3 H 46 3.350 4.066 -0.716 1 1 557 . 2 1 1 A 46 46 GLY C C 46 173.020 174.674 -1.654 1 1 558 . 2 1 1 A 46 46 GLY CA C 46 45.510 45.541 -0.031 1 1 559 . 2 1 1 A 46 46 GLY N N 46 110.250 107.850 2.400 1 1 560 . 2 1 1 A 47 47 LYS H H 47 8.640 7.790 0.850 1 1 561 . 2 1 1 A 47 47 LYS HA H 47 4.320 4.624 -0.304 1 1 570 . 2 1 1 A 47 47 LYS C C 47 176.180 175.968 0.212 1 1 571 . 2 1 1 A 47 47 LYS CA C 47 57.200 55.426 1.774 1 1 572 . 2 1 1 A 47 47 LYS CB C 47 32.300 34.195 -1.895 1 1 576 . 2 1 1 A 47 47 LYS N N 47 123.450 119.566 3.884 1 1 577 . 2 1 1 A 48 48 GLU H H 48 8.510 8.560 -0.050 1 1 578 . 2 1 1 A 48 48 GLU HA H 48 4.914 4.960 -0.046 1 1 583 . 2 1 1 A 48 48 GLU C C 48 176.545 175.563 0.982 1 1 584 . 2 1 1 A 48 48 GLU CA C 48 55.540 54.779 0.761 1 1 585 . 2 1 1 A 48 48 GLU CB C 48 32.850 32.148 0.702 1 1 587 . 2 1 1 A 48 48 GLU N N 48 123.300 119.551 3.749 1 1 588 . 2 1 1 A 49 49 LYS H H 49 8.304 8.790 -0.486 1 1 589 . 2 1 1 A 49 49 LYS HA H 49 4.080 4.951 -0.871 1 1 598 . 2 1 1 A 49 49 LYS C C 49 173.870 175.016 -1.146 1 1 599 . 2 1 1 A 49 49 LYS CA C 49 54.797 54.757 0.040 1 1 600 . 2 1 1 A 49 49 LYS CB C 49 36.248 35.601 0.647 1 1 604 . 2 1 1 A 49 49 LYS N N 49 123.450 124.136 -0.686 1 1 605 . 2 1 1 A 50 50 GLU H H 50 8.377 8.583 -0.206 1 1 606 . 2 1 1 A 50 50 GLU HA H 50 4.298 4.494 -0.196 1 1 611 . 2 1 1 A 50 50 GLU C C 50 175.090 175.404 -0.314 1 1 612 . 2 1 1 A 50 50 GLU CA C 50 56.950 56.234 0.716 1 1 613 . 2 1 1 A 50 50 GLU CB C 50 29.872 29.970 -0.098 1 1 615 . 2 1 1 A 50 50 GLU N N 50 127.100 123.658 3.442 1 1 616 . 2 1 1 A 51 51 LEU H H 51 8.934 9.397 -0.463 1 1 617 . 2 1 1 A 51 51 LEU HA H 51 4.517 4.858 -0.341 1 1 627 . 2 1 1 A 51 51 LEU C C 51 174.890 175.001 -0.111 1 1 628 . 2 1 1 A 51 51 LEU CA C 51 53.817 54.191 -0.374 1 1 629 . 2 1 1 A 51 51 LEU CB C 51 45.254 41.018 4.236 1 1 633 . 2 1 1 A 51 51 LEU N N 51 127.790 129.781 -1.991 1 1 634 . 2 1 1 A 52 52 GLU H H 52 8.360 9.031 -0.671 1 1 635 . 2 1 1 A 52 52 GLU HA H 52 5.417 5.158 0.259 1 1 640 . 2 1 1 A 52 52 GLU C C 52 174.890 175.541 -0.651 1 1 641 . 2 1 1 A 52 52 GLU CA C 52 54.519 54.809 -0.290 1 1 642 . 2 1 1 A 52 52 GLU CB C 52 32.500 30.892 1.608 1 1 644 . 2 1 1 A 52 52 GLU N N 52 121.180 126.456 -5.276 1 1 645 . 2 1 1 A 53 53 PHE H H 53 8.465 8.564 -0.099 1 1 646 . 2 1 1 A 53 53 PHE HA H 53 5.130 5.535 -0.405 1 1 654 . 2 1 1 A 53 53 PHE C C 53 172.660 173.019 -0.359 1 1 655 . 2 1 1 A 53 53 PHE CA C 53 56.508 55.399 1.109 1 1 656 . 2 1 1 A 53 53 PHE CB C 53 40.095 41.791 -1.696 1 1 662 . 2 1 1 A 53 53 PHE N N 53 118.940 122.664 -3.724 1 1 663 . 2 1 1 A 54 54 THR H H 54 8.622 9.238 -0.616 1 1 664 . 2 1 1 A 54 54 THR HA H 54 5.530 5.445 0.085 1 1 669 . 2 1 1 A 54 54 THR C C 54 173.470 173.962 -0.492 1 1 670 . 2 1 1 A 54 54 THR CA C 54 60.148 60.029 0.119 1 1 671 . 2 1 1 A 54 54 THR CB C 54 71.820 72.040 -0.220 1 1 673 . 2 1 1 A 54 54 THR N N 54 112.280 111.954 0.326 1 1 674 . 2 1 1 A 55 55 ALA H H 55 9.710 8.781 0.929 1 1 675 . 2 1 1 A 55 55 ALA HA H 55 5.354 5.094 0.260 1 1 679 . 2 1 1 A 55 55 ALA C C 55 176.720 177.998 -1.278 1 1 680 . 2 1 1 A 55 55 ALA CA C 55 50.568 51.686 -1.118 1 1 681 . 2 1 1 A 55 55 ALA CB C 55 24.180 22.600 1.580 1 1 682 . 2 1 1 A 55 55 ALA N N 55 126.340 121.456 4.884 1 1 683 . 2 1 1 A 56 56 GLN H H 56 9.130 9.010 0.120 1 1 684 . 2 1 1 A 56 56 GLN HA H 56 5.030 4.211 0.819 1 1 691 . 2 1 1 A 56 56 GLN C C 56 174.960 175.586 -0.626 1 1 692 . 2 1 1 A 56 56 GLN CA C 56 56.820 58.058 -1.238 1 1 693 . 2 1 1 A 56 56 GLN CB C 56 29.180 29.143 0.037 1 1 695 . 2 1 1 A 56 56 GLN N N 56 118.540 121.739 -3.199 1 1 697 . 2 1 1 A 57 57 LYS H H 57 7.656 7.981 -0.325 1 1 698 . 2 1 1 A 57 57 LYS HA H 57 4.360 5.149 -0.789 1 1 707 . 2 1 1 A 57 57 LYS C C 57 172.490 175.441 -2.951 1 1 708 . 2 1 1 A 57 57 LYS CA C 57 54.351 54.896 -0.545 1 1 709 . 2 1 1 A 57 57 LYS CB C 57 35.360 37.214 -1.854 1 1 713 . 2 1 1 A 57 57 LYS N N 57 116.270 117.313 -1.043 1 1 714 . 2 1 1 A 58 58 ASN H H 58 7.709 8.664 -0.955 1 1 715 . 2 1 1 A 58 58 ASN HA H 58 4.000 5.020 -1.020 1 1 720 . 2 1 1 A 58 58 ASN C C 58 175.490 175.225 0.265 1 1 721 . 2 1 1 A 58 58 ASN CA C 58 53.498 53.817 -0.319 1 1 722 . 2 1 1 A 58 58 ASN CB C 58 38.538 39.155 -0.617 1 1 723 . 2 1 1 A 58 58 ASN N N 58 117.960 120.715 -2.755 1 1 725 . 2 1 1 A 59 59 LEU H H 59 7.940 8.335 -0.395 1 1 726 . 2 1 1 A 59 59 LEU HA H 59 3.950 4.854 -0.904 1 1 736 . 2 1 1 A 59 59 LEU C C 59 176.410 176.138 0.272 1 1 737 . 2 1 1 A 59 59 LEU CA C 59 54.550 52.737 1.813 1 1 738 . 2 1 1 A 59 59 LEU CB C 59 42.370 43.045 -0.675 1 1 742 . 2 1 1 A 59 59 LEU N N 59 128.190 120.634 7.556 1 1 743 . 2 1 1 A 60 60 ARG H H 60 8.355 8.184 0.171 1 1 744 . 2 1 1 A 60 60 ARG HA H 60 3.870 4.225 -0.355 1 1 752 . 2 1 1 A 60 60 ARG C C 60 175.350 176.404 -1.054 1 1 753 . 2 1 1 A 60 60 ARG CA C 60 56.695 56.535 0.160 1 1 754 . 2 1 1 A 60 60 ARG CB C 60 31.290 30.594 0.696 1 1 757 . 2 1 1 A 60 60 ARG N N 60 123.759 119.780 3.979 1 1 759 . 2 1 1 A 61 61 LYS H H 61 8.178 8.719 -0.541 1 1 760 . 2 1 1 A 61 61 LYS HA H 61 3.680 3.973 -0.293 1 1 769 . 2 1 1 A 61 61 LYS C C 61 177.290 177.901 -0.611 1 1 770 . 2 1 1 A 61 61 LYS CA C 61 58.733 59.465 -0.732 1 1 771 . 2 1 1 A 61 61 LYS CB C 61 31.564 32.809 -1.245 1 1 775 . 2 1 1 A 61 61 LYS N N 61 125.600 124.775 0.825 1 1 776 . 2 1 1 A 62 62 GLU H H 62 8.949 7.472 1.477 1 1 777 . 2 1 1 A 62 62 GLU HA H 62 3.340 4.325 -0.985 1 1 782 . 2 1 1 A 62 62 GLU C C 62 176.170 176.028 0.142 1 1 783 . 2 1 1 A 62 62 GLU CA C 62 59.156 56.127 3.029 1 1 784 . 2 1 1 A 62 62 GLU CB C 62 28.040 30.064 -2.024 1 1 786 . 2 1 1 A 62 62 GLU N N 62 112.860 116.043 -3.183 1 1 787 . 2 1 1 A 63 63 ALA H H 63 7.604 7.252 0.352 1 1 788 . 2 1 1 A 63 63 ALA HA H 63 4.020 4.742 -0.722 1 1 792 . 2 1 1 A 63 63 ALA C C 63 175.530 176.005 -0.475 1 1 793 . 2 1 1 A 63 63 ALA CA C 63 53.074 50.559 2.515 1 1 794 . 2 1 1 A 63 63 ALA CB C 63 19.323 21.641 -2.318 1 1 795 . 2 1 1 A 63 63 ALA N N 63 122.700 123.825 -1.125 1 1 796 . 2 1 1 A 64 64 PHE H H 64 8.876 8.903 -0.027 1 1 797 . 2 1 1 A 64 64 PHE HA H 64 5.470 5.512 -0.042 1 1 802 . 2 1 1 A 64 64 PHE C C 64 175.480 175.270 0.210 1 1 803 . 2 1 1 A 64 64 PHE CA C 64 56.780 56.517 0.263 1 1 804 . 2 1 1 A 64 64 PHE CB C 64 41.566 42.951 -1.385 1 1 807 . 2 1 1 A 64 64 PHE N N 64 118.670 115.624 3.046 1 1 808 . 2 1 1 A 65 65 LEU H H 65 8.870 9.391 -0.521 1 1 809 . 2 1 1 A 65 65 LEU HA H 65 5.390 5.298 0.092 1 1 819 . 2 1 1 A 65 65 LEU C C 65 176.030 175.801 0.229 1 1 820 . 2 1 1 A 65 65 LEU CA C 65 52.926 53.937 -1.011 1 1 821 . 2 1 1 A 65 65 LEU CB C 65 45.561 45.039 0.522 1 1 825 . 2 1 1 A 65 65 LEU N N 65 118.700 121.116 -2.416 1 1 826 . 2 1 1 A 66 66 ARG H H 66 9.031 8.934 0.097 1 1 827 . 2 1 1 A 66 66 ARG HA H 66 4.345 4.712 -0.367 1 1 835 . 2 1 1 A 66 66 ARG C C 66 174.220 175.022 -0.802 1 1 836 . 2 1 1 A 66 66 ARG CA C 66 54.957 55.755 -0.798 1 1 837 . 2 1 1 A 66 66 ARG CB C 66 32.885 29.982 2.903 1 1 840 . 2 1 1 A 66 66 ARG N N 66 121.590 125.175 -3.585 1 1 842 . 2 1 1 A 67 67 VAL H H 67 9.359 8.324 1.035 1 1 843 . 2 1 1 A 67 67 VAL HA H 67 4.400 4.322 0.078 1 1 851 . 2 1 1 A 67 67 VAL C C 67 174.070 175.449 -1.379 1 1 852 . 2 1 1 A 67 67 VAL CA C 67 60.910 62.050 -1.140 1 1 853 . 2 1 1 A 67 67 VAL CB C 67 33.960 32.306 1.654 1 1 856 . 2 1 1 A 67 67 VAL N N 67 126.230 124.765 1.465 1 1 857 . 2 1 1 A 68 68 TYR H H 68 8.710 8.983 -0.273 1 1 858 . 2 1 1 A 68 68 TYR HA H 68 5.070 4.875 0.195 1 1 865 . 2 1 1 A 68 68 TYR C C 68 175.390 174.790 0.600 1 1 866 . 2 1 1 A 68 68 TYR CA C 68 57.290 59.436 -2.146 1 1 867 . 2 1 1 A 68 68 TYR CB C 68 38.690 39.427 -0.737 1 1 872 . 2 1 1 A 68 68 TYR N N 68 125.200 128.626 -3.426 1 1 873 . 2 1 1 A 69 69 HIS H H 69 9.224 8.662 0.562 1 1 874 . 2 1 1 A 69 69 HIS HA H 69 5.200 4.577 0.623 1 1 879 . 2 1 1 A 69 69 HIS C C 69 173.600 173.269 0.331 1 1 880 . 2 1 1 A 69 69 HIS CA C 69 56.502 54.266 2.236 1 1 881 . 2 1 1 A 69 69 HIS CB C 69 35.873 34.058 1.815 1 1 884 . 2 1 1 A 69 69 HIS N N 69 124.780 126.591 -1.811 1 1 885 . 2 1 1 A 70 70 SER H H 70 7.425 8.345 -0.920 1 1 886 . 2 1 1 A 70 70 SER HA H 70 4.800 4.735 0.065 1 1 889 . 2 1 1 A 70 70 SER C C 70 173.790 173.804 -0.014 1 1 890 . 2 1 1 A 70 70 SER CA C 70 56.840 57.028 -0.188 1 1 891 . 2 1 1 A 70 70 SER CB C 70 66.500 66.825 -0.325 1 1 892 . 2 1 1 A 70 70 SER N N 70 118.910 115.645 3.265 1 1 893 . 2 1 1 A 71 71 ASP H H 71 9.020 8.912 0.108 1 1 894 . 2 1 1 A 71 71 ASP HA H 71 4.390 4.334 0.056 1 1 897 . 2 1 1 A 71 71 ASP C C 71 178.030 177.922 0.108 1 1 898 . 2 1 1 A 71 71 ASP CA C 71 57.220 57.739 -0.519 1 1 899 . 2 1 1 A 71 71 ASP CB C 71 40.622 40.179 0.443 1 1 900 . 2 1 1 A 71 71 ASP N N 71 123.340 122.438 0.902 1 1 901 . 2 1 1 A 72 72 LYS H H 72 8.220 7.737 0.483 1 1 902 . 2 1 1 A 72 72 LYS HA H 72 4.123 4.092 0.031 1 1 911 . 2 1 1 A 72 72 LYS C C 72 177.560 176.956 0.604 1 1 912 . 2 1 1 A 72 72 LYS CA C 72 58.383 58.771 -0.388 1 1 913 . 2 1 1 A 72 72 LYS CB C 72 32.778 32.233 0.545 1 1 917 . 2 1 1 A 72 72 LYS N N 72 116.640 117.738 -1.098 1 1 918 . 2 1 1 A 73 73 LYS H H 73 7.367 7.994 -0.627 1 1 919 . 2 1 1 A 73 73 LYS HA H 73 4.449 3.506 0.943 1 1 928 . 2 1 1 A 73 73 LYS C C 73 176.750 175.867 0.883 1 1 929 . 2 1 1 A 73 73 LYS CA C 73 55.614 57.769 -2.155 1 1 930 . 2 1 1 A 73 73 LYS CB C 73 33.910 32.396 1.514 1 1 934 . 2 1 1 A 73 73 LYS N N 73 115.780 119.440 -3.660 1 1 935 . 2 1 1 A 74 74 GLY H H 74 8.240 8.144 0.096 1 1 936 . 2 1 1 A 74 74 GLY HA2 H 74 3.630 3.779 -0.149 1 1 937 . 2 1 1 A 74 74 GLY HA3 H 74 4.240 3.789 0.451 1 1 938 . 2 1 1 A 74 74 GLY C C 74 174.817 174.365 0.452 1 1 939 . 2 1 1 A 74 74 GLY CA C 74 45.075 47.015 -1.940 1 1 940 . 2 1 1 A 74 74 GLY N N 74 110.370 107.241 3.129 1 1 941 . 2 1 1 A 75 75 VAL H H 75 9.140 8.061 1.079 1 1 942 . 2 1 1 A 75 75 VAL HA H 75 4.640 4.002 0.638 1 1 950 . 2 1 1 A 75 75 VAL C C 75 177.000 175.784 1.216 1 1 951 . 2 1 1 A 75 75 VAL CA C 75 63.550 62.762 0.788 1 1 952 . 2 1 1 A 75 75 VAL CB C 75 32.237 30.442 1.795 1 1 955 . 2 1 1 A 75 75 VAL N N 75 124.300 116.765 7.535 1 1 956 . 2 1 1 A 76 76 SER H H 76 9.020 8.853 0.167 1 1 957 . 2 1 1 A 76 76 SER HA H 76 4.640 4.801 -0.161 1 1 960 . 2 1 1 A 76 76 SER C C 76 174.250 175.040 -0.790 1 1 961 . 2 1 1 A 76 76 SER CA C 76 58.440 58.468 -0.028 1 1 962 . 2 1 1 A 76 76 SER CB C 76 64.550 64.552 -0.002 1 1 963 . 2 1 1 A 76 76 SER N N 76 122.490 120.385 2.105 1 1 964 . 2 1 1 A 77 77 ALA H H 77 7.890 7.896 -0.006 1 1 965 . 2 1 1 A 77 77 ALA HA H 77 4.420 4.718 -0.298 1 1 969 . 2 1 1 A 77 77 ALA C C 77 174.430 175.583 -1.153 1 1 970 . 2 1 1 A 77 77 ALA CA C 77 51.940 50.357 1.583 1 1 971 . 2 1 1 A 77 77 ALA CB C 77 22.234 22.822 -0.588 1 1 972 . 2 1 1 A 77 77 ALA N N 77 122.930 121.128 1.802 1 1 973 . 2 1 1 A 78 78 TRP H H 78 7.776 8.476 -0.700 1 1 974 . 2 1 1 A 78 78 TRP HA H 78 5.690 5.771 -0.081 1 1 982 . 2 1 1 A 78 78 TRP C C 78 174.450 173.514 0.936 1 1 983 . 2 1 1 A 78 78 TRP CA C 78 55.899 55.274 0.625 1 1 984 . 2 1 1 A 78 78 TRP CB C 78 32.602 32.426 0.176 1 1 989 . 2 1 1 A 78 78 TRP N N 78 114.705 117.957 -3.252 1 1 991 . 2 1 1 A 79 79 GLU H H 79 9.210 8.418 0.792 1 1 992 . 2 1 1 A 79 79 GLU HA H 79 4.730 5.167 -0.437 1 1 997 . 2 1 1 A 79 79 GLU C C 79 174.130 175.960 -1.830 1 1 998 . 2 1 1 A 79 79 GLU CA C 79 54.939 54.599 0.340 1 1 999 . 2 1 1 A 79 79 GLU CB C 79 31.656 33.428 -1.772 1 1 1001 . 2 1 1 A 79 79 GLU N N 79 114.860 119.835 -4.975 1 1 1002 . 2 1 1 A 80 80 GLU H H 80 9.120 8.752 0.368 1 1 1003 . 2 1 1 A 80 80 GLU HA H 80 5.030 4.903 0.127 1 1 1008 . 2 1 1 A 80 80 GLU C C 80 176.580 176.389 0.191 1 1 1009 . 2 1 1 A 80 80 GLU CA C 80 57.193 56.333 0.860 1 1 1010 . 2 1 1 A 80 80 GLU CB C 80 29.856 30.441 -0.585 1 1 1012 . 2 1 1 A 80 80 GLU N N 80 123.960 122.356 1.604 1 1 1013 . 2 1 1 A 81 81 VAL H H 81 8.694 9.319 -0.625 1 1 1014 . 2 1 1 A 81 81 VAL HA H 81 4.780 5.208 -0.428 1 1 1022 . 2 1 1 A 81 81 VAL C C 81 174.460 175.428 -0.968 1 1 1023 . 2 1 1 A 81 81 VAL CA C 81 58.927 59.476 -0.549 1 1 1024 . 2 1 1 A 81 81 VAL CB C 81 35.550 35.167 0.383 1 1 1027 . 2 1 1 A 81 81 VAL N N 81 118.990 118.161 0.829 1 1 1028 . 2 1 1 A 82 82 LYS H H 82 8.708 8.589 0.119 1 1 1029 . 2 1 1 A 82 82 LYS HA H 82 4.580 4.976 -0.396 1 1 1038 . 2 1 1 A 82 82 LYS C C 82 178.380 177.591 0.789 1 1 1039 . 2 1 1 A 82 82 LYS CA C 82 55.212 54.475 0.737 1 1 1040 . 2 1 1 A 82 82 LYS CB C 82 33.689 35.060 -1.371 1 1 1044 . 2 1 1 A 82 82 LYS N N 82 120.850 120.904 -0.054 1 1 1045 . 2 1 1 A 83 83 LYS H H 83 8.870 9.144 -0.274 1 1 1046 . 2 1 1 A 83 83 LYS HA H 83 3.180 3.693 -0.513 1 1 1055 . 2 1 1 A 83 83 LYS C C 83 177.690 178.258 -0.568 1 1 1056 . 2 1 1 A 83 83 LYS CA C 83 59.370 58.552 0.818 1 1 1057 . 2 1 1 A 83 83 LYS CB C 83 32.209 32.104 0.105 1 1 1061 . 2 1 1 A 83 83 LYS N N 83 121.435 121.144 0.291 1 1 1062 . 2 1 1 A 84 84 ASP H H 84 8.059 8.018 0.041 1 1 1063 . 2 1 1 A 84 84 ASP HA H 84 4.220 4.354 -0.134 1 1 1066 . 2 1 1 A 84 84 ASP C C 84 177.100 177.760 -0.660 1 1 1067 . 2 1 1 A 84 84 ASP CA C 84 55.680 57.540 -1.860 1 1 1068 . 2 1 1 A 84 84 ASP CB C 84 40.392 41.811 -1.419 1 1 1069 . 2 1 1 A 84 84 ASP N N 84 112.520 120.576 -8.056 1 1 1070 . 2 1 1 A 85 85 GLU H H 85 7.686 7.641 0.045 1 1 1071 . 2 1 1 A 85 85 GLU HA H 85 4.136 4.174 -0.038 1 1 1076 . 2 1 1 A 85 85 GLU C C 85 176.270 176.342 -0.072 1 1 1077 . 2 1 1 A 85 85 GLU CA C 85 56.133 56.857 -0.724 1 1 1078 . 2 1 1 A 85 85 GLU CB C 85 30.479 29.371 1.108 1 1 1080 . 2 1 1 A 85 85 GLU N N 85 116.930 115.112 1.818 1 1 1081 . 2 1 1 A 86 86 LEU H H 86 7.017 7.561 -0.544 1 1 1082 . 2 1 1 A 86 86 LEU HA H 86 3.710 4.499 -0.789 1 1 1092 . 2 1 1 A 86 86 LEU CA C 86 52.600 52.373 0.227 1 1 1093 . 2 1 1 A 86 86 LEU CB C 86 42.120 42.103 0.017 1 1 1097 . 2 1 1 A 86 86 LEU N N 86 119.530 120.694 -1.164 1 1 1098 . 2 1 1 A 87 87 PRO HA H 87 4.330 4.568 -0.238 1 1 1105 . 2 1 1 A 87 87 PRO C C 87 176.940 177.277 -0.337 1 1 1106 . 2 1 1 A 87 87 PRO CA C 87 62.400 62.431 -0.031 1 1 1107 . 2 1 1 A 87 87 PRO CB C 87 32.537 33.122 -0.585 1 1 1110 . 2 1 1 A 88 88 ALA H H 88 8.943 8.685 0.258 1 1 1111 . 2 1 1 A 88 88 ALA HA H 88 3.780 4.007 -0.227 1 1 1115 . 2 1 1 A 88 88 ALA C C 88 180.520 179.821 0.699 1 1 1116 . 2 1 1 A 88 88 ALA CA C 88 56.911 55.209 1.702 1 1 1117 . 2 1 1 A 88 88 ALA CB C 88 18.502 18.135 0.367 1 1 1118 . 2 1 1 A 88 88 ALA N N 88 128.160 125.216 2.944 1 1 1119 . 2 1 1 A 89 89 LYS H H 89 9.270 8.060 1.210 1 1 1120 . 2 1 1 A 89 89 LYS HA H 89 3.990 4.091 -0.101 1 1 1129 . 2 1 1 A 89 89 LYS C C 89 179.070 178.615 0.455 1 1 1130 . 2 1 1 A 89 89 LYS CA C 89 58.648 58.987 -0.339 1 1 1131 . 2 1 1 A 89 89 LYS CB C 89 31.962 31.527 0.435 1 1 1135 . 2 1 1 A 89 89 LYS N N 89 115.610 115.969 -0.359 1 1 1136 . 2 1 1 A 90 90 VAL H H 90 6.846 7.704 -0.858 1 1 1137 . 2 1 1 A 90 90 VAL HA H 90 3.230 3.605 -0.375 1 1 1145 . 2 1 1 A 90 90 VAL C C 90 177.100 178.119 -1.019 1 1 1146 . 2 1 1 A 90 90 VAL CA C 90 65.870 66.071 -0.201 1 1 1147 . 2 1 1 A 90 90 VAL CB C 90 30.880 31.660 -0.780 1 1 1150 . 2 1 1 A 90 90 VAL N N 90 117.560 119.935 -2.375 1 1 1151 . 2 1 1 A 91 91 LYS H H 91 7.850 7.656 0.194 1 1 1152 . 2 1 1 A 91 91 LYS HA H 91 3.430 4.055 -0.625 1 1 1161 . 2 1 1 A 91 91 LYS C C 91 178.420 178.813 -0.393 1 1 1162 . 2 1 1 A 91 91 LYS CA C 91 61.028 58.327 2.701 1 1 1163 . 2 1 1 A 91 91 LYS CB C 91 32.387 31.172 1.215 1 1 1167 . 2 1 1 A 91 91 LYS N N 91 118.750 119.602 -0.852 1 1 1168 . 2 1 1 A 92 92 GLU H H 92 7.282 7.857 -0.575 1 1 1169 . 2 1 1 A 92 92 GLU HA H 92 3.990 4.041 -0.051 1 1 1174 . 2 1 1 A 92 92 GLU C C 92 179.380 178.287 1.093 1 1 1175 . 2 1 1 A 92 92 GLU CA C 92 59.030 59.410 -0.380 1 1 1176 . 2 1 1 A 92 92 GLU CB C 92 29.841 29.253 0.588 1 1 1178 . 2 1 1 A 92 92 GLU N N 92 115.375 120.293 -4.918 1 1 1179 . 2 1 1 A 93 93 LYS H H 93 7.343 7.420 -0.077 1 1 1180 . 2 1 1 A 93 93 LYS HA H 93 3.800 4.252 -0.452 1 1 1189 . 2 1 1 A 93 93 LYS C C 93 178.310 176.537 1.773 1 1 1190 . 2 1 1 A 93 93 LYS CA C 93 56.970 57.868 -0.898 1 1 1191 . 2 1 1 A 93 93 LYS CB C 93 30.740 33.052 -2.312 1 1 1195 . 2 1 1 A 93 93 LYS N N 93 118.370 116.557 1.813 1 1 1196 . 2 1 1 A 94 94 LEU H H 94 8.000 7.891 0.109 1 1 1197 . 2 1 1 A 94 94 LEU HA H 94 4.360 3.978 0.382 1 1 1207 . 2 1 1 A 94 94 LEU C C 94 177.350 176.949 0.401 1 1 1208 . 2 1 1 A 94 94 LEU CA C 94 54.765 55.864 -1.099 1 1 1209 . 2 1 1 A 94 94 LEU CB C 94 42.796 40.921 1.875 1 1 1213 . 2 1 1 A 94 94 LEU N N 94 115.600 117.761 -2.161 1 1 1214 . 2 1 1 A 95 95 GLY H H 95 7.601 8.433 -0.832 1 1 1215 . 2 1 1 A 95 95 GLY HA2 H 95 3.830 3.944 -0.114 1 1 1216 . 2 1 1 A 95 95 GLY HA3 H 95 3.950 3.948 0.002 1 1 1217 . 2 1 1 A 95 95 GLY C C 95 174.790 174.270 0.520 1 1 1218 . 2 1 1 A 95 95 GLY CA C 95 46.550 45.204 1.346 1 1 1219 . 2 1 1 A 95 95 GLY N N 95 108.540 112.957 -4.417 1 1 1220 . 2 1 1 A 96 96 VAL H H 96 7.957 7.532 0.425 1 1 1221 . 2 1 1 A 96 96 VAL HA H 96 3.940 3.922 0.018 1 1 1229 . 2 1 1 A 96 96 VAL C C 96 175.540 175.396 0.144 1 1 1230 . 2 1 1 A 96 96 VAL CA C 96 62.314 62.639 -0.325 1 1 1231 . 2 1 1 A 96 96 VAL CB C 96 32.155 31.771 0.384 1 1 1234 . 2 1 1 A 96 96 VAL N N 96 119.490 120.703 -1.213 1 1 1235 . 2 1 1 A 97 97 LYS H H 97 8.293 8.718 -0.425 1 1 1236 . 2 1 1 A 97 97 LYS HA H 97 4.210 4.842 -0.632 1 1 1245 . 2 1 1 A 97 97 LYS C C 97 176.290 174.997 1.293 1 1 1246 . 2 1 1 A 97 97 LYS CA C 97 56.174 55.193 0.981 1 1 1247 . 2 1 1 A 97 97 LYS CB C 97 33.200 33.850 -0.650 1 1 1251 . 2 1 1 A 97 97 LYS N N 97 126.120 127.564 -1.444 1 1 1252 . 2 1 1 A 98 98 LEU H H 98 8.315 8.499 -0.184 1 1 1253 . 2 1 1 A 98 98 LEU HA H 98 4.240 4.865 -0.625 1 1 1263 . 2 1 1 A 98 98 LEU C C 98 176.930 176.598 0.332 1 1 1264 . 2 1 1 A 98 98 LEU CA C 98 54.800 53.436 1.364 1 1 1265 . 2 1 1 A 98 98 LEU CB C 98 42.217 44.002 -1.785 1 1 1269 . 2 1 1 A 98 98 LEU N N 98 124.170 121.265 2.905 1 1 1270 . 2 1 1 A 99 99 GLU H H 99 8.375 8.758 -0.383 1 1 1271 . 2 1 1 A 99 99 GLU HA H 99 4.175 4.142 0.033 1 1 1276 . 2 1 1 A 99 99 GLU C C 99 176.035 176.426 -0.391 1 1 1277 . 2 1 1 A 99 99 GLU CA C 99 56.352 58.569 -2.217 1 1 1278 . 2 1 1 A 99 99 GLU CB C 99 30.460 30.771 -0.311 1 1 1280 . 2 1 1 A 99 99 GLU N N 99 122.010 123.195 -1.185 1 1 1281 . 2 1 1 A 100 100 HIS H H 100 8.350 7.537 0.813 1 1 1282 . 2 1 1 A 100 100 HIS HA H 100 4.565 5.027 -0.462 1 1 1285 . 2 1 1 A 100 100 HIS C C 100 173.880 173.976 -0.096 1 1 1286 . 2 1 1 A 100 100 HIS CA C 100 56.050 54.624 1.426 1 1 1287 . 2 1 1 A 100 100 HIS CB C 100 30.144 33.270 -3.126 1 1 1288 . 2 1 1 A 100 100 HIS N N 100 120.245 114.758 5.487 1 1 1289 . 2 1 1 A 101 101 HIS H H 101 8.134 8.894 -0.760 1 1 1290 . 2 1 1 A 101 101 HIS HA H 101 4.410 4.823 -0.413 1 1 1293 . 2 1 1 A 101 101 HIS CA C 101 57.290 55.279 2.011 1 1 1294 . 2 1 1 A 101 101 HIS CB C 101 31.450 30.921 0.529 1 1 1 . 3 1 1 A 2 2 ASP HA H 2 4.670 4.618 0.052 1 1 4 . 3 1 1 A 2 2 ASP C C 2 176.480 176.880 -0.400 1 1 5 . 3 1 1 A 2 2 ASP CA C 2 53.400 53.425 -0.025 1 1 6 . 3 1 1 A 2 2 ASP CB C 2 41.170 40.473 0.697 1 1 7 . 3 1 1 A 3 3 LEU H H 3 8.650 8.068 0.582 1 1 8 . 3 1 1 A 3 3 LEU HA H 3 4.116 4.497 -0.381 1 1 18 . 3 1 1 A 3 3 LEU C C 3 177.880 177.919 -0.039 1 1 19 . 3 1 1 A 3 3 LEU CA C 3 56.390 55.231 1.159 1 1 20 . 3 1 1 A 3 3 LEU CB C 3 41.660 41.980 -0.320 1 1 24 . 3 1 1 A 3 3 LEU N N 3 125.300 122.398 2.902 1 1 25 . 3 1 1 A 4 4 ASN H H 4 8.370 7.988 0.382 1 1 26 . 3 1 1 A 4 4 ASN HA H 4 4.490 4.549 -0.059 1 1 31 . 3 1 1 A 4 4 ASN C C 4 175.050 176.571 -1.521 1 1 32 . 3 1 1 A 4 4 ASN CA C 4 54.320 55.470 -1.150 1 1 33 . 3 1 1 A 4 4 ASN CB C 4 38.240 39.243 -1.003 1 1 34 . 3 1 1 A 4 4 ASN N N 4 116.550 117.439 -0.889 1 1 36 . 3 1 1 A 5 5 ARG H H 5 7.645 8.089 -0.444 1 1 37 . 3 1 1 A 5 5 ARG HA H 5 3.920 4.260 -0.340 1 1 45 . 3 1 1 A 5 5 ARG C C 5 176.030 176.785 -0.755 1 1 46 . 3 1 1 A 5 5 ARG CA C 5 56.180 57.057 -0.877 1 1 47 . 3 1 1 A 5 5 ARG CB C 5 31.570 31.953 -0.383 1 1 50 . 3 1 1 A 5 5 ARG N N 5 118.590 115.960 2.630 1 1 52 . 3 1 1 A 6 6 MET H H 6 7.809 8.010 -0.201 1 1 53 . 3 1 1 A 6 6 MET HA H 6 4.355 4.316 0.039 1 1 58 . 3 1 1 A 6 6 MET C C 6 176.940 175.681 1.259 1 1 59 . 3 1 1 A 6 6 MET CA C 6 56.290 57.540 -1.250 1 1 60 . 3 1 1 A 6 6 MET CB C 6 33.020 31.335 1.685 1 1 62 . 3 1 1 A 6 6 MET N N 6 120.180 117.644 2.536 1 1 63 . 3 1 1 A 7 7 GLY H H 7 8.906 8.636 0.270 1 1 64 . 3 1 1 A 7 7 GLY HA2 H 7 3.870 3.848 0.022 1 1 65 . 3 1 1 A 7 7 GLY HA3 H 7 3.950 3.890 0.060 1 1 66 . 3 1 1 A 7 7 GLY C C 7 174.280 174.505 -0.225 1 1 67 . 3 1 1 A 7 7 GLY CA C 7 46.110 44.875 1.235 1 1 68 . 3 1 1 A 7 7 GLY N N 7 112.660 110.867 1.793 1 1 69 . 3 1 1 A 8 8 LYS H H 8 7.819 8.299 -0.480 1 1 70 . 3 1 1 A 8 8 LYS HA H 8 4.550 4.427 0.123 1 1 79 . 3 1 1 A 8 8 LYS C C 8 176.060 174.617 1.443 1 1 80 . 3 1 1 A 8 8 LYS CA C 8 54.444 57.977 -3.533 1 1 81 . 3 1 1 A 8 8 LYS CB C 8 33.760 31.564 2.196 1 1 85 . 3 1 1 A 8 8 LYS N N 8 119.130 114.941 4.189 1 1 86 . 3 1 1 A 9 9 ASP H H 9 8.790 9.007 -0.217 1 1 87 . 3 1 1 A 9 9 ASP HA H 9 4.730 5.253 -0.523 1 1 90 . 3 1 1 A 9 9 ASP C C 9 174.530 174.555 -0.025 1 1 91 . 3 1 1 A 9 9 ASP CA C 9 54.560 52.745 1.815 1 1 92 . 3 1 1 A 9 9 ASP CB C 9 42.530 42.592 -0.062 1 1 93 . 3 1 1 A 9 9 ASP N N 9 121.550 124.226 -2.676 1 1 94 . 3 1 1 A 10 10 GLU H H 10 7.950 8.879 -0.929 1 1 95 . 3 1 1 A 10 10 GLU HA H 10 4.570 4.883 -0.313 1 1 100 . 3 1 1 A 10 10 GLU C C 10 174.080 173.754 0.326 1 1 101 . 3 1 1 A 10 10 GLU CA C 10 54.640 54.535 0.105 1 1 102 . 3 1 1 A 10 10 GLU CB C 10 31.380 30.785 0.595 1 1 104 . 3 1 1 A 10 10 GLU N N 10 119.640 121.224 -1.584 1 1 105 . 3 1 1 A 11 11 TYR H H 11 8.767 9.057 -0.290 1 1 106 . 3 1 1 A 11 11 TYR HA H 11 4.555 4.930 -0.375 1 1 113 . 3 1 1 A 11 11 TYR C C 11 173.480 174.759 -1.279 1 1 114 . 3 1 1 A 11 11 TYR CA C 11 56.360 56.812 -0.452 1 1 115 . 3 1 1 A 11 11 TYR CB C 11 43.860 38.296 5.564 1 1 120 . 3 1 1 A 11 11 TYR N N 11 120.960 125.348 -4.388 1 1 121 . 3 1 1 A 12 12 TYR H H 12 9.290 8.998 0.292 1 1 122 . 3 1 1 A 12 12 TYR HA H 12 5.730 5.221 0.509 1 1 129 . 3 1 1 A 12 12 TYR C C 12 175.700 175.931 -0.231 1 1 130 . 3 1 1 A 12 12 TYR CA C 12 56.680 57.611 -0.931 1 1 131 . 3 1 1 A 12 12 TYR CB C 12 42.180 38.130 4.050 1 1 136 . 3 1 1 A 12 12 TYR N N 12 118.880 125.046 -6.166 1 1 137 . 3 1 1 A 13 13 VAL H H 13 8.670 8.864 -0.194 1 1 138 . 3 1 1 A 13 13 VAL HA H 13 5.050 5.304 -0.254 1 1 146 . 3 1 1 A 13 13 VAL C C 13 174.820 174.637 0.183 1 1 147 . 3 1 1 A 13 13 VAL CA C 13 58.130 59.270 -1.140 1 1 148 . 3 1 1 A 13 13 VAL CB C 13 35.890 35.977 -0.087 1 1 151 . 3 1 1 A 13 13 VAL N N 13 112.280 118.345 -6.065 1 1 152 . 3 1 1 A 14 14 GLN H H 14 8.760 8.853 -0.093 1 1 153 . 3 1 1 A 14 14 GLN HA H 14 5.090 5.188 -0.098 1 1 160 . 3 1 1 A 14 14 GLN C C 14 175.000 175.063 -0.063 1 1 161 . 3 1 1 A 14 14 GLN CA C 14 53.520 53.239 0.281 1 1 162 . 3 1 1 A 14 14 GLN CB C 14 31.250 31.803 -0.553 1 1 164 . 3 1 1 A 14 14 GLN N N 14 120.910 119.136 1.774 1 1 166 . 3 1 1 A 15 15 ILE H H 15 8.843 8.823 0.020 1 1 167 . 3 1 1 A 15 15 ILE HA H 15 3.900 4.137 -0.237 1 1 177 . 3 1 1 A 15 15 ILE C C 15 177.090 177.140 -0.050 1 1 178 . 3 1 1 A 15 15 ILE CA C 15 59.269 61.757 -2.488 1 1 179 . 3 1 1 A 15 15 ILE CB C 15 34.050 36.984 -2.934 1 1 183 . 3 1 1 A 15 15 ILE N N 15 125.520 122.196 3.324 1 1 184 . 3 1 1 A 16 16 THR H H 16 7.996 8.013 -0.017 1 1 185 . 3 1 1 A 16 16 THR HA H 16 4.540 4.271 0.269 1 1 190 . 3 1 1 A 16 16 THR C C 16 173.650 174.761 -1.111 1 1 191 . 3 1 1 A 16 16 THR CA C 16 61.180 63.897 -2.717 1 1 192 . 3 1 1 A 16 16 THR CB C 16 69.300 68.887 0.413 1 1 194 . 3 1 1 A 16 16 THR N N 16 118.080 119.184 -1.104 1 1 195 . 3 1 1 A 17 17 VAL H H 17 7.240 7.555 -0.315 1 1 196 . 3 1 1 A 17 17 VAL HA H 17 4.659 4.360 0.299 1 1 204 . 3 1 1 A 17 17 VAL C C 17 175.135 174.705 0.430 1 1 205 . 3 1 1 A 17 17 VAL CA C 17 58.870 60.890 -2.020 1 1 206 . 3 1 1 A 17 17 VAL CB C 17 36.070 33.064 3.006 1 1 209 . 3 1 1 A 17 17 VAL N N 17 113.230 118.669 -5.439 1 1 210 . 3 1 1 A 18 18 ASP H H 18 8.280 8.525 -0.245 1 1 211 . 3 1 1 A 18 18 ASP HA H 18 5.010 4.711 0.299 1 1 214 . 3 1 1 A 18 18 ASP C C 18 177.350 175.484 1.866 1 1 215 . 3 1 1 A 18 18 ASP CA C 18 54.765 52.010 2.755 1 1 216 . 3 1 1 A 18 18 ASP CB C 18 42.120 44.260 -2.140 1 1 217 . 3 1 1 A 18 18 ASP N N 18 120.730 124.935 -4.205 1 1 218 . 3 1 1 A 19 19 GLY H H 19 8.951 8.513 0.438 1 1 219 . 3 1 1 A 19 19 GLY HA2 H 19 2.920 3.851 -0.931 1 1 220 . 3 1 1 A 19 19 GLY HA3 H 19 2.978 3.902 -0.924 1 1 221 . 3 1 1 A 19 19 GLY C C 19 172.450 174.267 -1.817 1 1 222 . 3 1 1 A 19 19 GLY CA C 19 45.370 45.721 -0.351 1 1 223 . 3 1 1 A 19 19 GLY N N 19 110.580 110.430 0.150 1 1 224 . 3 1 1 A 20 20 LYS H H 20 8.110 7.808 0.302 1 1 225 . 3 1 1 A 20 20 LYS HA H 20 4.374 4.266 0.108 1 1 234 . 3 1 1 A 20 20 LYS C C 20 175.710 175.252 0.458 1 1 235 . 3 1 1 A 20 20 LYS CA C 20 54.800 55.569 -0.769 1 1 236 . 3 1 1 A 20 20 LYS CB C 20 33.240 31.835 1.405 1 1 240 . 3 1 1 A 20 20 LYS N N 20 124.290 122.407 1.883 1 1 241 . 3 1 1 A 21 21 GLU H H 21 8.710 8.363 0.347 1 1 242 . 3 1 1 A 21 21 GLU HA H 21 3.930 4.729 -0.799 1 1 247 . 3 1 1 A 21 21 GLU C C 21 175.960 176.073 -0.113 1 1 248 . 3 1 1 A 21 21 GLU CA C 21 56.940 55.680 1.260 1 1 249 . 3 1 1 A 21 21 GLU CB C 21 30.439 29.449 0.990 1 1 251 . 3 1 1 A 21 21 GLU N N 21 128.720 127.162 1.558 1 1 252 . 3 1 1 A 22 22 VAL H H 22 8.621 8.395 0.226 1 1 253 . 3 1 1 A 22 22 VAL HA H 22 4.160 4.220 -0.060 1 1 261 . 3 1 1 A 22 22 VAL C C 22 175.210 175.663 -0.453 1 1 262 . 3 1 1 A 22 22 VAL CA C 22 61.027 61.909 -0.882 1 1 263 . 3 1 1 A 22 22 VAL CB C 22 34.501 30.813 3.688 1 1 266 . 3 1 1 A 22 22 VAL N N 22 125.340 124.202 1.138 1 1 267 . 3 1 1 A 23 23 HIS H H 23 8.607 8.912 -0.305 1 1 268 . 3 1 1 A 23 23 HIS HA H 23 4.820 4.444 0.376 1 1 273 . 3 1 1 A 23 23 HIS C C 23 175.040 174.978 0.062 1 1 274 . 3 1 1 A 23 23 HIS CA C 23 55.498 56.805 -1.307 1 1 275 . 3 1 1 A 23 23 HIS CB C 23 30.660 30.036 0.624 1 1 278 . 3 1 1 A 23 23 HIS N N 23 124.000 125.838 -1.838 1 1 279 . 3 1 1 A 24 24 SER H H 24 8.480 7.665 0.815 1 1 280 . 3 1 1 A 24 24 SER HA H 24 4.480 4.339 0.141 1 1 283 . 3 1 1 A 24 24 SER C C 24 173.860 173.705 0.155 1 1 284 . 3 1 1 A 24 24 SER CA C 24 57.690 57.272 0.418 1 1 285 . 3 1 1 A 24 24 SER CB C 24 64.580 61.680 2.900 1 1 286 . 3 1 1 A 24 24 SER N N 24 118.250 116.270 1.980 1 1 287 . 3 1 1 A 25 25 LYS H H 25 8.517 7.589 0.928 1 1 288 . 3 1 1 A 25 25 LYS HA H 25 4.561 4.557 0.004 1 1 297 . 3 1 1 A 25 25 LYS C C 25 176.160 176.606 -0.446 1 1 298 . 3 1 1 A 25 25 LYS CA C 25 56.255 55.430 0.825 1 1 299 . 3 1 1 A 25 25 LYS CB C 25 33.714 34.501 -0.787 1 1 303 . 3 1 1 A 25 25 LYS N N 25 122.750 126.415 -3.665 1 1 304 . 3 1 1 A 26 26 ALA H H 26 8.468 7.888 0.580 1 1 305 . 3 1 1 A 26 26 ALA HA H 26 4.470 4.144 0.326 1 1 309 . 3 1 1 A 26 26 ALA C C 26 177.950 177.402 0.548 1 1 310 . 3 1 1 A 26 26 ALA CA C 26 51.912 55.131 -3.219 1 1 311 . 3 1 1 A 26 26 ALA CB C 26 20.050 18.556 1.494 1 1 312 . 3 1 1 A 26 26 ALA N N 26 125.370 122.481 2.889 1 1 313 . 3 1 1 A 27 27 ASP H H 27 8.509 8.069 0.440 1 1 314 . 3 1 1 A 27 27 ASP HA H 27 4.460 4.294 0.166 1 1 317 . 3 1 1 A 27 27 ASP C C 27 176.480 175.129 1.351 1 1 318 . 3 1 1 A 27 27 ASP CA C 27 55.490 54.874 0.616 1 1 319 . 3 1 1 A 27 27 ASP CB C 27 40.771 39.794 0.977 1 1 320 . 3 1 1 A 27 27 ASP N N 27 120.380 117.602 2.778 1 1 321 . 3 1 1 A 28 28 ASN H H 28 8.193 8.650 -0.457 1 1 322 . 3 1 1 A 28 28 ASN HA H 28 4.620 4.381 0.239 1 1 327 . 3 1 1 A 28 28 ASN C C 28 176.310 174.923 1.387 1 1 328 . 3 1 1 A 28 28 ASN CA C 28 53.050 54.593 -1.543 1 1 329 . 3 1 1 A 28 28 ASN CB C 28 38.080 37.440 0.640 1 1 330 . 3 1 1 A 28 28 ASN N N 28 117.470 117.042 0.428 1 1 332 . 3 1 1 A 29 29 GLY H H 29 8.359 7.897 0.462 1 1 333 . 3 1 1 A 29 29 GLY HA2 H 29 4.110 4.106 0.004 1 1 334 . 3 1 1 A 29 29 GLY HA3 H 29 3.720 4.120 -0.400 1 1 335 . 3 1 1 A 29 29 GLY C C 29 174.365 173.541 0.824 1 1 336 . 3 1 1 A 29 29 GLY CA C 29 45.688 45.766 -0.078 1 1 337 . 3 1 1 A 29 29 GLY N N 29 108.230 105.534 2.696 1 1 338 . 3 1 1 A 30 30 GLN H H 30 7.920 7.957 -0.037 1 1 339 . 3 1 1 A 30 30 GLN HA H 30 4.200 4.454 -0.254 1 1 346 . 3 1 1 A 30 30 GLN C C 30 174.330 175.955 -1.625 1 1 347 . 3 1 1 A 30 30 GLN CA C 30 56.210 55.162 1.048 1 1 348 . 3 1 1 A 30 30 GLN CB C 30 29.320 27.990 1.330 1 1 350 . 3 1 1 A 30 30 GLN N N 30 119.670 119.537 0.133 1 1 352 . 3 1 1 A 31 31 LYS H H 31 8.390 8.356 0.034 1 1 353 . 3 1 1 A 31 31 LYS HA H 31 4.490 4.640 -0.150 1 1 362 . 3 1 1 A 31 31 LYS C C 31 176.052 175.253 0.799 1 1 363 . 3 1 1 A 31 31 LYS CA C 31 56.417 55.671 0.746 1 1 364 . 3 1 1 A 31 31 LYS CB C 31 33.414 33.479 -0.065 1 1 368 . 3 1 1 A 31 31 LYS N N 31 121.950 124.981 -3.031 1 1 369 . 3 1 1 A 32 32 TYR H H 32 8.160 7.511 0.649 1 1 370 . 3 1 1 A 32 32 TYR HA H 32 4.770 5.307 -0.537 1 1 377 . 3 1 1 A 32 32 TYR C C 32 175.560 173.706 1.854 1 1 378 . 3 1 1 A 32 32 TYR CA C 32 56.300 56.019 0.281 1 1 379 . 3 1 1 A 32 32 TYR CB C 32 40.074 42.509 -2.435 1 1 384 . 3 1 1 A 32 32 TYR N N 32 119.960 117.296 2.664 1 1 385 . 3 1 1 A 33 33 LYS H H 33 8.397 8.751 -0.354 1 1 386 . 3 1 1 A 33 33 LYS HA H 33 4.610 5.078 -0.468 1 1 395 . 3 1 1 A 33 33 LYS C C 33 174.080 174.779 -0.699 1 1 396 . 3 1 1 A 33 33 LYS CA C 33 55.512 54.539 0.973 1 1 397 . 3 1 1 A 33 33 LYS CB C 33 34.570 36.905 -2.335 1 1 401 . 3 1 1 A 33 33 LYS N N 33 122.080 119.885 2.195 1 1 402 . 3 1 1 A 34 34 ASP H H 34 8.140 8.846 -0.706 1 1 403 . 3 1 1 A 34 34 ASP HA H 34 5.040 5.232 -0.192 1 1 406 . 3 1 1 A 34 34 ASP C C 34 173.740 174.489 -0.749 1 1 407 . 3 1 1 A 34 34 ASP CA C 34 53.104 52.473 0.631 1 1 408 . 3 1 1 A 34 34 ASP CB C 34 44.290 44.995 -0.705 1 1 409 . 3 1 1 A 34 34 ASP N N 34 121.430 120.992 0.438 1 1 410 . 3 1 1 A 35 35 TYR H H 35 8.849 8.502 0.347 1 1 411 . 3 1 1 A 35 35 TYR HA H 35 4.660 5.400 -0.740 1 1 418 . 3 1 1 A 35 35 TYR C C 35 174.450 174.743 -0.293 1 1 419 . 3 1 1 A 35 35 TYR CA C 35 57.177 57.196 -0.019 1 1 420 . 3 1 1 A 35 35 TYR CB C 35 40.955 40.748 0.207 1 1 425 . 3 1 1 A 35 35 TYR N N 35 116.670 120.066 -3.396 1 1 426 . 3 1 1 A 36 36 GLU H H 36 9.144 9.029 0.115 1 1 427 . 3 1 1 A 36 36 GLU HA H 36 4.615 4.837 -0.222 1 1 432 . 3 1 1 A 36 36 GLU C C 36 175.850 174.692 1.158 1 1 433 . 3 1 1 A 36 36 GLU CA C 36 55.700 54.943 0.757 1 1 434 . 3 1 1 A 36 36 GLU CB C 36 32.541 31.520 1.021 1 1 436 . 3 1 1 A 36 36 GLU N N 36 122.490 125.291 -2.801 1 1 437 . 3 1 1 A 37 37 TYR H H 37 8.598 9.208 -0.610 1 1 438 . 3 1 1 A 37 37 TYR HA H 37 4.090 4.859 -0.769 1 1 445 . 3 1 1 A 37 37 TYR C C 37 174.140 173.833 0.307 1 1 446 . 3 1 1 A 37 37 TYR CA C 37 58.399 55.914 2.485 1 1 447 . 3 1 1 A 37 37 TYR CB C 37 41.690 38.920 2.770 1 1 452 . 3 1 1 A 37 37 TYR N N 37 122.480 126.446 -3.966 1 1 453 . 3 1 1 A 38 38 LYS H H 38 8.410 8.752 -0.342 1 1 454 . 3 1 1 A 38 38 LYS HA H 38 5.080 4.793 0.287 1 1 463 . 3 1 1 A 38 38 LYS C C 38 174.980 174.556 0.424 1 1 464 . 3 1 1 A 38 38 LYS CA C 38 56.133 54.987 1.146 1 1 465 . 3 1 1 A 38 38 LYS CB C 38 33.525 32.597 0.928 1 1 469 . 3 1 1 A 38 38 LYS N N 38 124.250 126.080 -1.830 1 1 470 . 3 1 1 A 39 39 LEU H H 39 8.555 8.770 -0.215 1 1 471 . 3 1 1 A 39 39 LEU HA H 39 4.865 4.959 -0.094 1 1 480 . 3 1 1 A 39 39 LEU C C 39 175.120 176.344 -1.224 1 1 481 . 3 1 1 A 39 39 LEU CA C 39 53.316 53.421 -0.105 1 1 482 . 3 1 1 A 39 39 LEU CB C 39 47.338 44.711 2.627 1 1 485 . 3 1 1 A 39 39 LEU N N 39 124.840 128.220 -3.380 1 1 486 . 3 1 1 A 40 40 THR H H 40 8.615 8.641 -0.026 1 1 487 . 3 1 1 A 40 40 THR HA H 40 4.410 4.309 0.101 1 1 492 . 3 1 1 A 40 40 THR C C 40 173.360 174.236 -0.876 1 1 493 . 3 1 1 A 40 40 THR CA C 40 63.200 61.882 1.318 1 1 494 . 3 1 1 A 40 40 THR CB C 40 69.100 68.419 0.681 1 1 496 . 3 1 1 A 40 40 THR N N 40 118.390 118.930 -0.540 1 1 497 . 3 1 1 A 41 41 GLY H H 41 8.545 9.026 -0.481 1 1 498 . 3 1 1 A 41 41 GLY HA2 H 41 3.030 3.864 -0.834 1 1 499 . 3 1 1 A 41 41 GLY HA3 H 41 4.910 4.134 0.776 1 1 500 . 3 1 1 A 41 41 GLY C C 41 171.375 172.890 -1.515 1 1 501 . 3 1 1 A 41 41 GLY CA C 41 43.963 45.188 -1.225 1 1 502 . 3 1 1 A 41 41 GLY N N 41 113.500 113.259 0.241 1 1 503 . 3 1 1 A 42 42 PHE H H 42 8.650 9.068 -0.418 1 1 504 . 3 1 1 A 42 42 PHE HA H 42 5.910 5.248 0.662 1 1 512 . 3 1 1 A 42 42 PHE C C 42 176.670 175.684 0.986 1 1 513 . 3 1 1 A 42 42 PHE CA C 42 56.260 57.862 -1.602 1 1 514 . 3 1 1 A 42 42 PHE CB C 42 44.750 40.045 4.705 1 1 520 . 3 1 1 A 42 42 PHE N N 42 113.300 124.190 -10.890 1 1 521 . 3 1 1 A 43 43 ASP H H 43 9.040 9.072 -0.032 1 1 522 . 3 1 1 A 43 43 ASP HA H 43 5.100 4.740 0.360 1 1 525 . 3 1 1 A 43 43 ASP C C 43 177.790 177.358 0.432 1 1 526 . 3 1 1 A 43 43 ASP CA C 43 51.990 54.075 -2.085 1 1 527 . 3 1 1 A 43 43 ASP CB C 43 41.660 41.870 -0.210 1 1 528 . 3 1 1 A 43 43 ASP N N 43 123.450 124.645 -1.195 1 1 529 . 3 1 1 A 44 44 LYS H H 44 8.689 8.696 -0.007 1 1 530 . 3 1 1 A 44 44 LYS HA H 44 3.920 3.953 -0.033 1 1 539 . 3 1 1 A 44 44 LYS C C 44 175.450 177.994 -2.544 1 1 540 . 3 1 1 A 44 44 LYS CA C 44 58.730 59.475 -0.745 1 1 541 . 3 1 1 A 44 44 LYS CB C 44 31.707 32.106 -0.399 1 1 545 . 3 1 1 A 44 44 LYS N N 44 113.360 124.278 -10.918 1 1 546 . 3 1 1 A 45 45 ASP H H 45 8.178 7.965 0.213 1 1 547 . 3 1 1 A 45 45 ASP HA H 45 4.930 4.657 0.273 1 1 550 . 3 1 1 A 45 45 ASP C C 45 176.710 176.657 0.053 1 1 551 . 3 1 1 A 45 45 ASP CA C 45 54.501 54.178 0.323 1 1 552 . 3 1 1 A 45 45 ASP CB C 45 42.260 41.132 1.128 1 1 553 . 3 1 1 A 45 45 ASP N N 45 119.050 116.860 2.190 1 1 554 . 3 1 1 A 46 46 GLY H H 46 8.853 8.396 0.457 1 1 555 . 3 1 1 A 46 46 GLY HA2 H 46 4.120 3.992 0.128 1 1 556 . 3 1 1 A 46 46 GLY HA3 H 46 3.350 4.034 -0.684 1 1 557 . 3 1 1 A 46 46 GLY C C 46 173.020 174.261 -1.241 1 1 558 . 3 1 1 A 46 46 GLY CA C 46 45.510 45.599 -0.089 1 1 559 . 3 1 1 A 46 46 GLY N N 46 110.250 108.683 1.567 1 1 560 . 3 1 1 A 47 47 LYS H H 47 8.640 7.662 0.978 1 1 561 . 3 1 1 A 47 47 LYS HA H 47 4.320 4.346 -0.026 1 1 570 . 3 1 1 A 47 47 LYS C C 47 176.180 175.613 0.567 1 1 571 . 3 1 1 A 47 47 LYS CA C 47 57.200 56.144 1.056 1 1 572 . 3 1 1 A 47 47 LYS CB C 47 32.300 33.769 -1.469 1 1 576 . 3 1 1 A 47 47 LYS N N 47 123.450 120.712 2.738 1 1 577 . 3 1 1 A 48 48 GLU H H 48 8.510 8.851 -0.341 1 1 578 . 3 1 1 A 48 48 GLU HA H 48 4.914 4.755 0.159 1 1 583 . 3 1 1 A 48 48 GLU C C 48 176.545 175.125 1.420 1 1 584 . 3 1 1 A 48 48 GLU CA C 48 55.540 55.041 0.499 1 1 585 . 3 1 1 A 48 48 GLU CB C 48 32.850 30.780 2.070 1 1 587 . 3 1 1 A 48 48 GLU N N 48 123.300 118.540 4.760 1 1 588 . 3 1 1 A 49 49 LYS H H 49 8.304 8.979 -0.675 1 1 589 . 3 1 1 A 49 49 LYS HA H 49 4.080 4.704 -0.624 1 1 598 . 3 1 1 A 49 49 LYS C C 49 173.870 175.744 -1.874 1 1 599 . 3 1 1 A 49 49 LYS CA C 49 54.797 54.349 0.448 1 1 600 . 3 1 1 A 49 49 LYS CB C 49 36.248 34.695 1.553 1 1 604 . 3 1 1 A 49 49 LYS N N 49 123.450 125.792 -2.342 1 1 605 . 3 1 1 A 50 50 GLU H H 50 8.377 8.623 -0.246 1 1 606 . 3 1 1 A 50 50 GLU HA H 50 4.298 4.761 -0.463 1 1 611 . 3 1 1 A 50 50 GLU C C 50 175.090 174.989 0.101 1 1 612 . 3 1 1 A 50 50 GLU CA C 50 56.950 55.283 1.667 1 1 613 . 3 1 1 A 50 50 GLU CB C 50 29.872 30.458 -0.586 1 1 615 . 3 1 1 A 50 50 GLU N N 50 127.100 121.023 6.077 1 1 616 . 3 1 1 A 51 51 LEU H H 51 8.934 9.524 -0.590 1 1 617 . 3 1 1 A 51 51 LEU HA H 51 4.517 4.971 -0.454 1 1 627 . 3 1 1 A 51 51 LEU C C 51 174.890 175.217 -0.327 1 1 628 . 3 1 1 A 51 51 LEU CA C 51 53.817 54.129 -0.312 1 1 629 . 3 1 1 A 51 51 LEU CB C 51 45.254 42.173 3.081 1 1 633 . 3 1 1 A 51 51 LEU N N 51 127.790 126.952 0.838 1 1 634 . 3 1 1 A 52 52 GLU H H 52 8.360 8.771 -0.411 1 1 635 . 3 1 1 A 52 52 GLU HA H 52 5.417 5.093 0.324 1 1 640 . 3 1 1 A 52 52 GLU C C 52 174.890 175.675 -0.785 1 1 641 . 3 1 1 A 52 52 GLU CA C 52 54.519 55.462 -0.943 1 1 642 . 3 1 1 A 52 52 GLU CB C 52 32.500 30.916 1.584 1 1 644 . 3 1 1 A 52 52 GLU N N 52 121.180 125.417 -4.237 1 1 645 . 3 1 1 A 53 53 PHE H H 53 8.465 8.625 -0.160 1 1 646 . 3 1 1 A 53 53 PHE HA H 53 5.130 5.561 -0.431 1 1 654 . 3 1 1 A 53 53 PHE C C 53 172.660 173.383 -0.723 1 1 655 . 3 1 1 A 53 53 PHE CA C 53 56.508 55.623 0.885 1 1 656 . 3 1 1 A 53 53 PHE CB C 53 40.095 42.511 -2.416 1 1 662 . 3 1 1 A 53 53 PHE N N 53 118.940 119.192 -0.252 1 1 663 . 3 1 1 A 54 54 THR H H 54 8.622 8.956 -0.334 1 1 664 . 3 1 1 A 54 54 THR HA H 54 5.530 5.451 0.079 1 1 669 . 3 1 1 A 54 54 THR C C 54 173.470 174.494 -1.024 1 1 670 . 3 1 1 A 54 54 THR CA C 54 60.148 60.502 -0.354 1 1 671 . 3 1 1 A 54 54 THR CB C 54 71.820 70.538 1.282 1 1 673 . 3 1 1 A 54 54 THR N N 54 112.280 112.643 -0.363 1 1 674 . 3 1 1 A 55 55 ALA H H 55 9.710 8.959 0.751 1 1 675 . 3 1 1 A 55 55 ALA HA H 55 5.354 4.983 0.371 1 1 679 . 3 1 1 A 55 55 ALA C C 55 176.720 177.741 -1.021 1 1 680 . 3 1 1 A 55 55 ALA CA C 55 50.568 50.106 0.462 1 1 681 . 3 1 1 A 55 55 ALA CB C 55 24.180 23.209 0.971 1 1 682 . 3 1 1 A 55 55 ALA N N 55 126.340 124.646 1.694 1 1 683 . 3 1 1 A 56 56 GLN H H 56 9.130 9.030 0.100 1 1 684 . 3 1 1 A 56 56 GLN HA H 56 5.030 4.410 0.620 1 1 691 . 3 1 1 A 56 56 GLN C C 56 174.960 175.780 -0.820 1 1 692 . 3 1 1 A 56 56 GLN CA C 56 56.820 56.944 -0.124 1 1 693 . 3 1 1 A 56 56 GLN CB C 56 29.180 29.400 -0.220 1 1 695 . 3 1 1 A 56 56 GLN N N 56 118.540 118.756 -0.216 1 1 697 . 3 1 1 A 57 57 LYS H H 57 7.656 7.662 -0.006 1 1 698 . 3 1 1 A 57 57 LYS HA H 57 4.360 4.913 -0.553 1 1 707 . 3 1 1 A 57 57 LYS C C 57 172.490 175.747 -3.257 1 1 708 . 3 1 1 A 57 57 LYS CA C 57 54.351 54.530 -0.179 1 1 709 . 3 1 1 A 57 57 LYS CB C 57 35.360 36.931 -1.571 1 1 713 . 3 1 1 A 57 57 LYS N N 57 116.270 118.705 -2.435 1 1 714 . 3 1 1 A 58 58 ASN H H 58 7.709 8.365 -0.656 1 1 715 . 3 1 1 A 58 58 ASN HA H 58 4.000 4.875 -0.875 1 1 720 . 3 1 1 A 58 58 ASN C C 58 175.490 175.268 0.222 1 1 721 . 3 1 1 A 58 58 ASN CA C 58 53.498 52.980 0.518 1 1 722 . 3 1 1 A 58 58 ASN CB C 58 38.538 38.027 0.511 1 1 723 . 3 1 1 A 58 58 ASN N N 58 117.960 119.811 -1.851 1 1 725 . 3 1 1 A 59 59 LEU H H 59 7.940 8.626 -0.686 1 1 726 . 3 1 1 A 59 59 LEU HA H 59 3.950 4.166 -0.216 1 1 736 . 3 1 1 A 59 59 LEU C C 59 176.410 177.131 -0.721 1 1 737 . 3 1 1 A 59 59 LEU CA C 59 54.550 55.222 -0.672 1 1 738 . 3 1 1 A 59 59 LEU CB C 59 42.370 41.954 0.416 1 1 742 . 3 1 1 A 59 59 LEU N N 59 128.190 125.103 3.087 1 1 743 . 3 1 1 A 60 60 ARG H H 60 8.355 8.395 -0.040 1 1 744 . 3 1 1 A 60 60 ARG HA H 60 3.870 4.268 -0.398 1 1 752 . 3 1 1 A 60 60 ARG C C 60 175.350 176.151 -0.801 1 1 753 . 3 1 1 A 60 60 ARG CA C 60 56.695 56.058 0.637 1 1 754 . 3 1 1 A 60 60 ARG CB C 60 31.290 30.643 0.647 1 1 757 . 3 1 1 A 60 60 ARG N N 60 123.759 122.346 1.413 1 1 759 . 3 1 1 A 61 61 LYS H H 61 8.178 8.711 -0.533 1 1 760 . 3 1 1 A 61 61 LYS HA H 61 3.680 3.964 -0.284 1 1 769 . 3 1 1 A 61 61 LYS C C 61 177.290 176.815 0.475 1 1 770 . 3 1 1 A 61 61 LYS CA C 61 58.733 57.106 1.627 1 1 771 . 3 1 1 A 61 61 LYS CB C 61 31.564 32.789 -1.225 1 1 775 . 3 1 1 A 61 61 LYS N N 61 125.600 124.502 1.098 1 1 776 . 3 1 1 A 62 62 GLU H H 62 8.949 8.935 0.014 1 1 777 . 3 1 1 A 62 62 GLU HA H 62 3.340 3.736 -0.396 1 1 782 . 3 1 1 A 62 62 GLU C C 62 176.170 175.402 0.768 1 1 783 . 3 1 1 A 62 62 GLU CA C 62 59.156 57.754 1.402 1 1 784 . 3 1 1 A 62 62 GLU CB C 62 28.040 28.204 -0.164 1 1 786 . 3 1 1 A 62 62 GLU N N 62 112.860 119.199 -6.339 1 1 787 . 3 1 1 A 63 63 ALA H H 63 7.604 7.496 0.108 1 1 788 . 3 1 1 A 63 63 ALA HA H 63 4.020 4.513 -0.493 1 1 792 . 3 1 1 A 63 63 ALA C C 63 175.530 176.376 -0.846 1 1 793 . 3 1 1 A 63 63 ALA CA C 63 53.074 51.386 1.688 1 1 794 . 3 1 1 A 63 63 ALA CB C 63 19.323 20.789 -1.466 1 1 795 . 3 1 1 A 63 63 ALA N N 63 122.700 121.577 1.123 1 1 796 . 3 1 1 A 64 64 PHE H H 64 8.876 9.356 -0.480 1 1 797 . 3 1 1 A 64 64 PHE HA H 64 5.470 5.702 -0.232 1 1 802 . 3 1 1 A 64 64 PHE C C 64 175.480 174.851 0.629 1 1 803 . 3 1 1 A 64 64 PHE CA C 64 56.780 57.028 -0.248 1 1 804 . 3 1 1 A 64 64 PHE CB C 64 41.566 40.554 1.012 1 1 807 . 3 1 1 A 64 64 PHE N N 64 118.670 119.202 -0.532 1 1 808 . 3 1 1 A 65 65 LEU H H 65 8.870 9.615 -0.745 1 1 809 . 3 1 1 A 65 65 LEU HA H 65 5.390 5.479 -0.089 1 1 819 . 3 1 1 A 65 65 LEU C C 65 176.030 175.400 0.630 1 1 820 . 3 1 1 A 65 65 LEU CA C 65 52.926 53.833 -0.907 1 1 821 . 3 1 1 A 65 65 LEU CB C 65 45.561 42.309 3.252 1 1 825 . 3 1 1 A 65 65 LEU N N 65 118.700 125.850 -7.150 1 1 826 . 3 1 1 A 66 66 ARG H H 66 9.031 9.147 -0.116 1 1 827 . 3 1 1 A 66 66 ARG HA H 66 4.345 4.504 -0.159 1 1 835 . 3 1 1 A 66 66 ARG C C 66 174.220 174.590 -0.370 1 1 836 . 3 1 1 A 66 66 ARG CA C 66 54.957 55.903 -0.946 1 1 837 . 3 1 1 A 66 66 ARG CB C 66 32.885 30.041 2.844 1 1 840 . 3 1 1 A 66 66 ARG N N 66 121.590 125.784 -4.194 1 1 842 . 3 1 1 A 67 67 VAL H H 67 9.359 8.552 0.807 1 1 843 . 3 1 1 A 67 67 VAL HA H 67 4.400 4.479 -0.079 1 1 851 . 3 1 1 A 67 67 VAL C C 67 174.070 174.761 -0.691 1 1 852 . 3 1 1 A 67 67 VAL CA C 67 60.910 62.319 -1.409 1 1 853 . 3 1 1 A 67 67 VAL CB C 67 33.960 32.227 1.733 1 1 856 . 3 1 1 A 67 67 VAL N N 67 126.230 125.987 0.243 1 1 857 . 3 1 1 A 68 68 TYR H H 68 8.710 9.185 -0.475 1 1 858 . 3 1 1 A 68 68 TYR HA H 68 5.070 4.976 0.094 1 1 865 . 3 1 1 A 68 68 TYR C C 68 175.390 174.694 0.696 1 1 866 . 3 1 1 A 68 68 TYR CA C 68 57.290 57.031 0.259 1 1 867 . 3 1 1 A 68 68 TYR CB C 68 38.690 39.758 -1.068 1 1 872 . 3 1 1 A 68 68 TYR N N 68 125.200 128.383 -3.183 1 1 873 . 3 1 1 A 69 69 HIS H H 69 9.224 8.363 0.861 1 1 874 . 3 1 1 A 69 69 HIS HA H 69 5.200 4.687 0.513 1 1 879 . 3 1 1 A 69 69 HIS C C 69 173.600 173.584 0.016 1 1 880 . 3 1 1 A 69 69 HIS CA C 69 56.502 56.412 0.090 1 1 881 . 3 1 1 A 69 69 HIS CB C 69 35.873 29.972 5.901 1 1 884 . 3 1 1 A 69 69 HIS N N 69 124.780 129.083 -4.303 1 1 885 . 3 1 1 A 70 70 SER H H 70 7.425 8.854 -1.429 1 1 886 . 3 1 1 A 70 70 SER HA H 70 4.800 4.539 0.261 1 1 889 . 3 1 1 A 70 70 SER C C 70 173.790 173.274 0.516 1 1 890 . 3 1 1 A 70 70 SER CA C 70 56.840 55.785 1.055 1 1 891 . 3 1 1 A 70 70 SER CB C 70 66.500 65.809 0.691 1 1 892 . 3 1 1 A 70 70 SER N N 70 118.910 122.067 -3.157 1 1 893 . 3 1 1 A 71 71 ASP H H 71 9.020 8.911 0.109 1 1 894 . 3 1 1 A 71 71 ASP HA H 71 4.390 4.535 -0.145 1 1 897 . 3 1 1 A 71 71 ASP C C 71 178.030 178.218 -0.188 1 1 898 . 3 1 1 A 71 71 ASP CA C 71 57.220 56.111 1.109 1 1 899 . 3 1 1 A 71 71 ASP CB C 71 40.622 41.362 -0.740 1 1 900 . 3 1 1 A 71 71 ASP N N 71 123.340 124.274 -0.934 1 1 901 . 3 1 1 A 72 72 LYS H H 72 8.220 8.298 -0.078 1 1 902 . 3 1 1 A 72 72 LYS HA H 72 4.123 4.123 0.000 1 1 911 . 3 1 1 A 72 72 LYS C C 72 177.560 177.040 0.520 1 1 912 . 3 1 1 A 72 72 LYS CA C 72 58.383 59.415 -1.032 1 1 913 . 3 1 1 A 72 72 LYS CB C 72 32.778 31.867 0.911 1 1 917 . 3 1 1 A 72 72 LYS N N 72 116.640 118.009 -1.369 1 1 918 . 3 1 1 A 73 73 LYS H H 73 7.367 8.018 -0.651 1 1 919 . 3 1 1 A 73 73 LYS HA H 73 4.449 4.567 -0.118 1 1 928 . 3 1 1 A 73 73 LYS C C 73 176.750 176.894 -0.144 1 1 929 . 3 1 1 A 73 73 LYS CA C 73 55.614 54.981 0.633 1 1 930 . 3 1 1 A 73 73 LYS CB C 73 33.910 33.656 0.254 1 1 934 . 3 1 1 A 73 73 LYS N N 73 115.780 118.597 -2.817 1 1 935 . 3 1 1 A 74 74 GLY H H 74 8.240 8.373 -0.133 1 1 936 . 3 1 1 A 74 74 GLY HA2 H 74 3.630 3.958 -0.328 1 1 937 . 3 1 1 A 74 74 GLY HA3 H 74 4.240 3.974 0.266 1 1 938 . 3 1 1 A 74 74 GLY C C 74 174.817 173.445 1.372 1 1 939 . 3 1 1 A 74 74 GLY CA C 74 45.075 45.758 -0.683 1 1 940 . 3 1 1 A 74 74 GLY N N 74 110.370 108.291 2.079 1 1 941 . 3 1 1 A 75 75 VAL H H 75 9.140 8.077 1.063 1 1 942 . 3 1 1 A 75 75 VAL HA H 75 4.640 4.642 -0.002 1 1 950 . 3 1 1 A 75 75 VAL C C 75 177.000 175.319 1.681 1 1 951 . 3 1 1 A 75 75 VAL CA C 75 63.550 60.716 2.834 1 1 952 . 3 1 1 A 75 75 VAL CB C 75 32.237 34.620 -2.383 1 1 955 . 3 1 1 A 75 75 VAL N N 75 124.300 120.632 3.668 1 1 956 . 3 1 1 A 76 76 SER H H 76 9.020 9.207 -0.187 1 1 957 . 3 1 1 A 76 76 SER HA H 76 4.640 4.725 -0.085 1 1 960 . 3 1 1 A 76 76 SER C C 76 174.250 173.138 1.112 1 1 961 . 3 1 1 A 76 76 SER CA C 76 58.440 59.422 -0.982 1 1 962 . 3 1 1 A 76 76 SER CB C 76 64.550 66.528 -1.978 1 1 963 . 3 1 1 A 76 76 SER N N 76 122.490 121.132 1.358 1 1 964 . 3 1 1 A 77 77 ALA H H 77 7.890 7.981 -0.091 1 1 965 . 3 1 1 A 77 77 ALA HA H 77 4.420 4.721 -0.301 1 1 969 . 3 1 1 A 77 77 ALA C C 77 174.430 175.582 -1.152 1 1 970 . 3 1 1 A 77 77 ALA CA C 77 51.940 50.737 1.203 1 1 971 . 3 1 1 A 77 77 ALA CB C 77 22.234 23.046 -0.812 1 1 972 . 3 1 1 A 77 77 ALA N N 77 122.930 120.802 2.128 1 1 973 . 3 1 1 A 78 78 TRP H H 78 7.776 8.570 -0.794 1 1 974 . 3 1 1 A 78 78 TRP HA H 78 5.690 5.802 -0.112 1 1 982 . 3 1 1 A 78 78 TRP C C 78 174.450 173.047 1.403 1 1 983 . 3 1 1 A 78 78 TRP CA C 78 55.899 55.638 0.261 1 1 984 . 3 1 1 A 78 78 TRP CB C 78 32.602 32.124 0.478 1 1 989 . 3 1 1 A 78 78 TRP N N 78 114.705 117.939 -3.234 1 1 991 . 3 1 1 A 79 79 GLU H H 79 9.210 8.681 0.529 1 1 992 . 3 1 1 A 79 79 GLU HA H 79 4.730 5.037 -0.307 1 1 997 . 3 1 1 A 79 79 GLU C C 79 174.130 174.986 -0.856 1 1 998 . 3 1 1 A 79 79 GLU CA C 79 54.939 54.962 -0.023 1 1 999 . 3 1 1 A 79 79 GLU CB C 79 31.656 33.279 -1.623 1 1 1001 . 3 1 1 A 79 79 GLU N N 79 114.860 120.165 -5.305 1 1 1002 . 3 1 1 A 80 80 GLU H H 80 9.120 8.944 0.176 1 1 1003 . 3 1 1 A 80 80 GLU HA H 80 5.030 4.866 0.164 1 1 1008 . 3 1 1 A 80 80 GLU C C 80 176.580 175.779 0.801 1 1 1009 . 3 1 1 A 80 80 GLU CA C 80 57.193 55.529 1.664 1 1 1010 . 3 1 1 A 80 80 GLU CB C 80 29.856 30.477 -0.621 1 1 1012 . 3 1 1 A 80 80 GLU N N 80 123.960 123.883 0.077 1 1 1013 . 3 1 1 A 81 81 VAL H H 81 8.694 9.200 -0.506 1 1 1014 . 3 1 1 A 81 81 VAL HA H 81 4.780 5.186 -0.406 1 1 1022 . 3 1 1 A 81 81 VAL C C 81 174.460 175.087 -0.627 1 1 1023 . 3 1 1 A 81 81 VAL CA C 81 58.927 59.574 -0.647 1 1 1024 . 3 1 1 A 81 81 VAL CB C 81 35.550 35.100 0.450 1 1 1027 . 3 1 1 A 81 81 VAL N N 81 118.990 121.899 -2.909 1 1 1028 . 3 1 1 A 82 82 LYS H H 82 8.708 8.367 0.341 1 1 1029 . 3 1 1 A 82 82 LYS HA H 82 4.580 4.979 -0.399 1 1 1038 . 3 1 1 A 82 82 LYS C C 82 178.380 177.875 0.505 1 1 1039 . 3 1 1 A 82 82 LYS CA C 82 55.212 54.284 0.928 1 1 1040 . 3 1 1 A 82 82 LYS CB C 82 33.689 35.365 -1.676 1 1 1044 . 3 1 1 A 82 82 LYS N N 82 120.850 119.874 0.976 1 1 1045 . 3 1 1 A 83 83 LYS H H 83 8.870 9.210 -0.340 1 1 1046 . 3 1 1 A 83 83 LYS HA H 83 3.180 3.766 -0.586 1 1 1055 . 3 1 1 A 83 83 LYS C C 83 177.690 177.975 -0.285 1 1 1056 . 3 1 1 A 83 83 LYS CA C 83 59.370 58.656 0.714 1 1 1057 . 3 1 1 A 83 83 LYS CB C 83 32.209 32.096 0.113 1 1 1061 . 3 1 1 A 83 83 LYS N N 83 121.435 118.285 3.150 1 1 1062 . 3 1 1 A 84 84 ASP H H 84 8.059 8.301 -0.242 1 1 1063 . 3 1 1 A 84 84 ASP HA H 84 4.220 4.381 -0.161 1 1 1066 . 3 1 1 A 84 84 ASP C C 84 177.100 178.818 -1.718 1 1 1067 . 3 1 1 A 84 84 ASP CA C 84 55.680 56.735 -1.055 1 1 1068 . 3 1 1 A 84 84 ASP CB C 84 40.392 40.422 -0.030 1 1 1069 . 3 1 1 A 84 84 ASP N N 84 112.520 119.768 -7.248 1 1 1070 . 3 1 1 A 85 85 GLU H H 85 7.686 7.979 -0.293 1 1 1071 . 3 1 1 A 85 85 GLU HA H 85 4.136 4.341 -0.205 1 1 1076 . 3 1 1 A 85 85 GLU C C 85 176.270 177.056 -0.786 1 1 1077 . 3 1 1 A 85 85 GLU CA C 85 56.133 58.272 -2.139 1 1 1078 . 3 1 1 A 85 85 GLU CB C 85 30.479 30.540 -0.061 1 1 1080 . 3 1 1 A 85 85 GLU N N 85 116.930 118.019 -1.089 1 1 1081 . 3 1 1 A 86 86 LEU H H 86 7.017 7.316 -0.299 1 1 1082 . 3 1 1 A 86 86 LEU HA H 86 3.710 4.235 -0.525 1 1 1092 . 3 1 1 A 86 86 LEU CA C 86 52.600 51.190 1.410 1 1 1093 . 3 1 1 A 86 86 LEU CB C 86 42.120 41.687 0.433 1 1 1097 . 3 1 1 A 86 86 LEU N N 86 119.530 120.378 -0.848 1 1 1098 . 3 1 1 A 87 87 PRO HA H 87 4.330 4.489 -0.159 1 1 1105 . 3 1 1 A 87 87 PRO C C 87 176.940 177.184 -0.244 1 1 1106 . 3 1 1 A 87 87 PRO CA C 87 62.400 62.570 -0.170 1 1 1107 . 3 1 1 A 87 87 PRO CB C 87 32.537 32.623 -0.086 1 1 1110 . 3 1 1 A 88 88 ALA H H 88 8.943 8.700 0.243 1 1 1111 . 3 1 1 A 88 88 ALA HA H 88 3.780 3.961 -0.181 1 1 1115 . 3 1 1 A 88 88 ALA C C 88 180.520 179.757 0.763 1 1 1116 . 3 1 1 A 88 88 ALA CA C 88 56.911 54.834 2.077 1 1 1117 . 3 1 1 A 88 88 ALA CB C 88 18.502 18.247 0.255 1 1 1118 . 3 1 1 A 88 88 ALA N N 88 128.160 125.726 2.434 1 1 1119 . 3 1 1 A 89 89 LYS H H 89 9.270 8.197 1.073 1 1 1120 . 3 1 1 A 89 89 LYS HA H 89 3.990 3.964 0.026 1 1 1129 . 3 1 1 A 89 89 LYS C C 89 179.070 179.464 -0.394 1 1 1130 . 3 1 1 A 89 89 LYS CA C 89 58.648 59.049 -0.401 1 1 1131 . 3 1 1 A 89 89 LYS CB C 89 31.962 32.405 -0.443 1 1 1135 . 3 1 1 A 89 89 LYS N N 89 115.610 118.219 -2.609 1 1 1136 . 3 1 1 A 90 90 VAL H H 90 6.846 7.882 -1.036 1 1 1137 . 3 1 1 A 90 90 VAL HA H 90 3.230 3.502 -0.272 1 1 1145 . 3 1 1 A 90 90 VAL C C 90 177.100 177.758 -0.658 1 1 1146 . 3 1 1 A 90 90 VAL CA C 90 65.870 66.848 -0.978 1 1 1147 . 3 1 1 A 90 90 VAL CB C 90 30.880 31.598 -0.718 1 1 1150 . 3 1 1 A 90 90 VAL N N 90 117.560 119.838 -2.278 1 1 1151 . 3 1 1 A 91 91 LYS H H 91 7.850 7.964 -0.114 1 1 1152 . 3 1 1 A 91 91 LYS HA H 91 3.430 4.077 -0.647 1 1 1161 . 3 1 1 A 91 91 LYS C C 91 178.420 179.178 -0.758 1 1 1162 . 3 1 1 A 91 91 LYS CA C 91 61.028 59.460 1.568 1 1 1163 . 3 1 1 A 91 91 LYS CB C 91 32.387 32.167 0.220 1 1 1167 . 3 1 1 A 91 91 LYS N N 91 118.750 118.979 -0.229 1 1 1168 . 3 1 1 A 92 92 GLU H H 92 7.282 8.328 -1.046 1 1 1169 . 3 1 1 A 92 92 GLU HA H 92 3.990 4.120 -0.130 1 1 1174 . 3 1 1 A 92 92 GLU C C 92 179.380 178.592 0.788 1 1 1175 . 3 1 1 A 92 92 GLU CA C 92 59.030 58.812 0.218 1 1 1176 . 3 1 1 A 92 92 GLU CB C 92 29.841 30.291 -0.450 1 1 1178 . 3 1 1 A 92 92 GLU N N 92 115.375 119.131 -3.756 1 1 1179 . 3 1 1 A 93 93 LYS H H 93 7.343 8.111 -0.768 1 1 1180 . 3 1 1 A 93 93 LYS HA H 93 3.800 4.357 -0.557 1 1 1189 . 3 1 1 A 93 93 LYS C C 93 178.310 176.551 1.759 1 1 1190 . 3 1 1 A 93 93 LYS CA C 93 56.970 57.562 -0.592 1 1 1191 . 3 1 1 A 93 93 LYS CB C 93 30.740 33.700 -2.960 1 1 1195 . 3 1 1 A 93 93 LYS N N 93 118.370 117.039 1.331 1 1 1196 . 3 1 1 A 94 94 LEU H H 94 8.000 7.148 0.852 1 1 1197 . 3 1 1 A 94 94 LEU HA H 94 4.360 4.412 -0.052 1 1 1207 . 3 1 1 A 94 94 LEU C C 94 177.350 177.182 0.168 1 1 1208 . 3 1 1 A 94 94 LEU CA C 94 54.765 55.822 -1.057 1 1 1209 . 3 1 1 A 94 94 LEU CB C 94 42.796 44.729 -1.933 1 1 1213 . 3 1 1 A 94 94 LEU N N 94 115.600 116.174 -0.574 1 1 1214 . 3 1 1 A 95 95 GLY H H 95 7.601 8.119 -0.518 1 1 1215 . 3 1 1 A 95 95 GLY HA2 H 95 3.830 4.031 -0.201 1 1 1216 . 3 1 1 A 95 95 GLY HA3 H 95 3.950 4.066 -0.116 1 1 1217 . 3 1 1 A 95 95 GLY C C 95 174.790 174.830 -0.040 1 1 1218 . 3 1 1 A 95 95 GLY CA C 95 46.550 44.946 1.604 1 1 1219 . 3 1 1 A 95 95 GLY N N 95 108.540 107.835 0.705 1 1 1220 . 3 1 1 A 96 96 VAL H H 96 7.957 7.797 0.160 1 1 1221 . 3 1 1 A 96 96 VAL HA H 96 3.940 4.214 -0.274 1 1 1229 . 3 1 1 A 96 96 VAL C C 96 175.540 175.355 0.185 1 1 1230 . 3 1 1 A 96 96 VAL CA C 96 62.314 62.122 0.192 1 1 1231 . 3 1 1 A 96 96 VAL CB C 96 32.155 32.544 -0.389 1 1 1234 . 3 1 1 A 96 96 VAL N N 96 119.490 119.447 0.043 1 1 1235 . 3 1 1 A 97 97 LYS H H 97 8.293 8.501 -0.208 1 1 1236 . 3 1 1 A 97 97 LYS HA H 97 4.210 4.800 -0.590 1 1 1245 . 3 1 1 A 97 97 LYS C C 97 176.290 175.999 0.291 1 1 1246 . 3 1 1 A 97 97 LYS CA C 97 56.174 56.090 0.084 1 1 1247 . 3 1 1 A 97 97 LYS CB C 97 33.200 33.529 -0.329 1 1 1251 . 3 1 1 A 97 97 LYS N N 97 126.120 123.786 2.334 1 1 1252 . 3 1 1 A 98 98 LEU H H 98 8.315 8.774 -0.459 1 1 1253 . 3 1 1 A 98 98 LEU HA H 98 4.240 4.916 -0.676 1 1 1263 . 3 1 1 A 98 98 LEU C C 98 176.930 176.001 0.929 1 1 1264 . 3 1 1 A 98 98 LEU CA C 98 54.800 53.131 1.669 1 1 1265 . 3 1 1 A 98 98 LEU CB C 98 42.217 42.519 -0.302 1 1 1269 . 3 1 1 A 98 98 LEU N N 98 124.170 122.030 2.140 1 1 1270 . 3 1 1 A 99 99 GLU H H 99 8.375 8.720 -0.345 1 1 1271 . 3 1 1 A 99 99 GLU HA H 99 4.175 4.615 -0.440 1 1 1276 . 3 1 1 A 99 99 GLU C C 99 176.035 177.178 -1.143 1 1 1277 . 3 1 1 A 99 99 GLU CA C 99 56.352 55.968 0.384 1 1 1278 . 3 1 1 A 99 99 GLU CB C 99 30.460 31.720 -1.260 1 1 1280 . 3 1 1 A 99 99 GLU N N 99 122.010 120.472 1.538 1 1 1281 . 3 1 1 A 100 100 HIS H H 100 8.350 8.255 0.095 1 1 1282 . 3 1 1 A 100 100 HIS HA H 100 4.565 4.185 0.380 1 1 1285 . 3 1 1 A 100 100 HIS C C 100 173.880 175.232 -1.352 1 1 1286 . 3 1 1 A 100 100 HIS CA C 100 56.050 56.848 -0.798 1 1 1287 . 3 1 1 A 100 100 HIS CB C 100 30.144 28.604 1.540 1 1 1288 . 3 1 1 A 100 100 HIS N N 100 120.245 119.235 1.010 1 1 1289 . 3 1 1 A 101 101 HIS H H 101 8.134 7.960 0.174 1 1 1290 . 3 1 1 A 101 101 HIS HA H 101 4.410 4.823 -0.413 1 1 1293 . 3 1 1 A 101 101 HIS CA C 101 57.290 54.886 2.404 1 1 1294 . 3 1 1 A 101 101 HIS CB C 101 31.450 29.972 1.478 1 1 1 . 4 1 1 A 2 2 ASP HA H 2 4.670 4.847 -0.177 1 1 4 . 4 1 1 A 2 2 ASP C C 2 176.480 176.425 0.055 1 1 5 . 4 1 1 A 2 2 ASP CA C 2 53.400 54.156 -0.756 1 1 6 . 4 1 1 A 2 2 ASP CB C 2 41.170 41.452 -0.282 1 1 7 . 4 1 1 A 3 3 LEU H H 3 8.650 8.765 -0.115 1 1 8 . 4 1 1 A 3 3 LEU HA H 3 4.116 4.375 -0.259 1 1 18 . 4 1 1 A 3 3 LEU C C 3 177.880 176.886 0.994 1 1 19 . 4 1 1 A 3 3 LEU CA C 3 56.390 54.831 1.559 1 1 20 . 4 1 1 A 3 3 LEU CB C 3 41.660 41.233 0.427 1 1 24 . 4 1 1 A 3 3 LEU N N 3 125.300 125.469 -0.169 1 1 25 . 4 1 1 A 4 4 ASN H H 4 8.370 7.689 0.681 1 1 26 . 4 1 1 A 4 4 ASN HA H 4 4.490 4.777 -0.287 1 1 31 . 4 1 1 A 4 4 ASN C C 4 175.050 175.667 -0.617 1 1 32 . 4 1 1 A 4 4 ASN CA C 4 54.320 53.482 0.838 1 1 33 . 4 1 1 A 4 4 ASN CB C 4 38.240 38.307 -0.067 1 1 34 . 4 1 1 A 4 4 ASN N N 4 116.550 118.777 -2.227 1 1 36 . 4 1 1 A 5 5 ARG H H 5 7.645 9.066 -1.421 1 1 37 . 4 1 1 A 5 5 ARG HA H 5 3.920 3.789 0.131 1 1 45 . 4 1 1 A 5 5 ARG C C 5 176.030 176.320 -0.290 1 1 46 . 4 1 1 A 5 5 ARG CA C 5 56.180 56.826 -0.646 1 1 47 . 4 1 1 A 5 5 ARG CB C 5 31.570 27.845 3.725 1 1 50 . 4 1 1 A 5 5 ARG N N 5 118.590 121.250 -2.660 1 1 52 . 4 1 1 A 6 6 MET H H 6 7.809 8.071 -0.262 1 1 53 . 4 1 1 A 6 6 MET HA H 6 4.355 4.693 -0.338 1 1 58 . 4 1 1 A 6 6 MET C C 6 176.940 175.605 1.335 1 1 59 . 4 1 1 A 6 6 MET CA C 6 56.290 55.381 0.909 1 1 60 . 4 1 1 A 6 6 MET CB C 6 33.020 31.854 1.166 1 1 62 . 4 1 1 A 6 6 MET N N 6 120.180 117.117 3.063 1 1 63 . 4 1 1 A 7 7 GLY H H 7 8.906 8.048 0.858 1 1 64 . 4 1 1 A 7 7 GLY HA2 H 7 3.870 4.157 -0.287 1 1 65 . 4 1 1 A 7 7 GLY HA3 H 7 3.950 4.345 -0.395 1 1 66 . 4 1 1 A 7 7 GLY C C 7 174.280 173.373 0.907 1 1 67 . 4 1 1 A 7 7 GLY CA C 7 46.110 44.656 1.454 1 1 68 . 4 1 1 A 7 7 GLY N N 7 112.660 108.182 4.478 1 1 69 . 4 1 1 A 8 8 LYS H H 8 7.819 7.994 -0.175 1 1 70 . 4 1 1 A 8 8 LYS HA H 8 4.550 4.562 -0.012 1 1 79 . 4 1 1 A 8 8 LYS C C 8 176.060 175.901 0.159 1 1 80 . 4 1 1 A 8 8 LYS CA C 8 54.444 55.477 -1.033 1 1 81 . 4 1 1 A 8 8 LYS CB C 8 33.760 33.379 0.381 1 1 85 . 4 1 1 A 8 8 LYS N N 8 119.130 122.563 -3.433 1 1 86 . 4 1 1 A 9 9 ASP H H 9 8.790 7.994 0.796 1 1 87 . 4 1 1 A 9 9 ASP HA H 9 4.730 4.713 0.017 1 1 90 . 4 1 1 A 9 9 ASP C C 9 174.530 175.426 -0.896 1 1 91 . 4 1 1 A 9 9 ASP CA C 9 54.560 54.630 -0.070 1 1 92 . 4 1 1 A 9 9 ASP CB C 9 42.530 41.260 1.270 1 1 93 . 4 1 1 A 9 9 ASP N N 9 121.550 120.224 1.326 1 1 94 . 4 1 1 A 10 10 GLU H H 10 7.950 8.730 -0.780 1 1 95 . 4 1 1 A 10 10 GLU HA H 10 4.570 4.864 -0.294 1 1 100 . 4 1 1 A 10 10 GLU C C 10 174.080 174.573 -0.493 1 1 101 . 4 1 1 A 10 10 GLU CA C 10 54.640 55.106 -0.466 1 1 102 . 4 1 1 A 10 10 GLU CB C 10 31.380 32.680 -1.300 1 1 104 . 4 1 1 A 10 10 GLU N N 10 119.640 122.620 -2.980 1 1 105 . 4 1 1 A 11 11 TYR H H 11 8.767 8.845 -0.078 1 1 106 . 4 1 1 A 11 11 TYR HA H 11 4.555 4.955 -0.400 1 1 113 . 4 1 1 A 11 11 TYR C C 11 173.480 174.509 -1.029 1 1 114 . 4 1 1 A 11 11 TYR CA C 11 56.360 56.500 -0.140 1 1 115 . 4 1 1 A 11 11 TYR CB C 11 43.860 40.081 3.779 1 1 120 . 4 1 1 A 11 11 TYR N N 11 120.960 126.991 -6.031 1 1 121 . 4 1 1 A 12 12 TYR H H 12 9.290 9.081 0.209 1 1 122 . 4 1 1 A 12 12 TYR HA H 12 5.730 5.123 0.607 1 1 129 . 4 1 1 A 12 12 TYR C C 12 175.700 175.825 -0.125 1 1 130 . 4 1 1 A 12 12 TYR CA C 12 56.680 57.276 -0.596 1 1 131 . 4 1 1 A 12 12 TYR CB C 12 42.180 38.520 3.660 1 1 136 . 4 1 1 A 12 12 TYR N N 12 118.880 123.362 -4.482 1 1 137 . 4 1 1 A 13 13 VAL H H 13 8.670 8.817 -0.147 1 1 138 . 4 1 1 A 13 13 VAL HA H 13 5.050 5.214 -0.164 1 1 146 . 4 1 1 A 13 13 VAL C C 13 174.820 174.235 0.585 1 1 147 . 4 1 1 A 13 13 VAL CA C 13 58.130 59.269 -1.139 1 1 148 . 4 1 1 A 13 13 VAL CB C 13 35.890 35.940 -0.050 1 1 151 . 4 1 1 A 13 13 VAL N N 13 112.280 118.333 -6.053 1 1 152 . 4 1 1 A 14 14 GLN H H 14 8.760 8.813 -0.053 1 1 153 . 4 1 1 A 14 14 GLN HA H 14 5.090 4.922 0.168 1 1 160 . 4 1 1 A 14 14 GLN C C 14 175.000 174.609 0.391 1 1 161 . 4 1 1 A 14 14 GLN CA C 14 53.520 53.498 0.022 1 1 162 . 4 1 1 A 14 14 GLN CB C 14 31.250 32.174 -0.924 1 1 164 . 4 1 1 A 14 14 GLN N N 14 120.910 117.920 2.990 1 1 166 . 4 1 1 A 15 15 ILE H H 15 8.843 8.361 0.482 1 1 167 . 4 1 1 A 15 15 ILE HA H 15 3.900 4.100 -0.200 1 1 177 . 4 1 1 A 15 15 ILE C C 15 177.090 177.183 -0.093 1 1 178 . 4 1 1 A 15 15 ILE CA C 15 59.269 61.778 -2.509 1 1 179 . 4 1 1 A 15 15 ILE CB C 15 34.050 36.807 -2.757 1 1 183 . 4 1 1 A 15 15 ILE N N 15 125.520 122.922 2.598 1 1 184 . 4 1 1 A 16 16 THR H H 16 7.996 8.940 -0.944 1 1 185 . 4 1 1 A 16 16 THR HA H 16 4.540 4.409 0.131 1 1 190 . 4 1 1 A 16 16 THR C C 16 173.650 175.064 -1.414 1 1 191 . 4 1 1 A 16 16 THR CA C 16 61.180 63.110 -1.930 1 1 192 . 4 1 1 A 16 16 THR CB C 16 69.300 68.752 0.548 1 1 194 . 4 1 1 A 16 16 THR N N 16 118.080 119.884 -1.804 1 1 195 . 4 1 1 A 17 17 VAL H H 17 7.240 7.695 -0.455 1 1 196 . 4 1 1 A 17 17 VAL HA H 17 4.659 4.883 -0.224 1 1 204 . 4 1 1 A 17 17 VAL C C 17 175.135 174.294 0.841 1 1 205 . 4 1 1 A 17 17 VAL CA C 17 58.870 59.099 -0.229 1 1 206 . 4 1 1 A 17 17 VAL CB C 17 36.070 34.754 1.316 1 1 209 . 4 1 1 A 17 17 VAL N N 17 113.230 118.336 -5.106 1 1 210 . 4 1 1 A 18 18 ASP H H 18 8.280 8.574 -0.294 1 1 211 . 4 1 1 A 18 18 ASP HA H 18 5.010 4.634 0.376 1 1 214 . 4 1 1 A 18 18 ASP C C 18 177.350 175.329 2.021 1 1 215 . 4 1 1 A 18 18 ASP CA C 18 54.765 51.831 2.934 1 1 216 . 4 1 1 A 18 18 ASP CB C 18 42.120 43.782 -1.662 1 1 217 . 4 1 1 A 18 18 ASP N N 18 120.730 123.220 -2.490 1 1 218 . 4 1 1 A 19 19 GLY H H 19 8.951 8.582 0.369 1 1 219 . 4 1 1 A 19 19 GLY HA2 H 19 2.920 3.962 -1.042 1 1 220 . 4 1 1 A 19 19 GLY HA3 H 19 2.978 4.148 -1.170 1 1 221 . 4 1 1 A 19 19 GLY C C 19 172.450 174.166 -1.716 1 1 222 . 4 1 1 A 19 19 GLY CA C 19 45.370 45.674 -0.304 1 1 223 . 4 1 1 A 19 19 GLY N N 19 110.580 108.826 1.754 1 1 224 . 4 1 1 A 20 20 LYS H H 20 8.110 7.634 0.476 1 1 225 . 4 1 1 A 20 20 LYS HA H 20 4.374 4.240 0.134 1 1 234 . 4 1 1 A 20 20 LYS C C 20 175.710 175.731 -0.021 1 1 235 . 4 1 1 A 20 20 LYS CA C 20 54.800 55.007 -0.207 1 1 236 . 4 1 1 A 20 20 LYS CB C 20 33.240 31.017 2.223 1 1 240 . 4 1 1 A 20 20 LYS N N 20 124.290 121.312 2.978 1 1 241 . 4 1 1 A 21 21 GLU H H 21 8.710 7.966 0.744 1 1 242 . 4 1 1 A 21 21 GLU HA H 21 3.930 4.691 -0.761 1 1 247 . 4 1 1 A 21 21 GLU C C 21 175.960 175.757 0.203 1 1 248 . 4 1 1 A 21 21 GLU CA C 21 56.940 55.956 0.984 1 1 249 . 4 1 1 A 21 21 GLU CB C 21 30.439 29.802 0.637 1 1 251 . 4 1 1 A 21 21 GLU N N 21 128.720 124.644 4.076 1 1 252 . 4 1 1 A 22 22 VAL H H 22 8.621 8.589 0.032 1 1 253 . 4 1 1 A 22 22 VAL HA H 22 4.160 4.576 -0.416 1 1 261 . 4 1 1 A 22 22 VAL C C 22 175.210 176.140 -0.930 1 1 262 . 4 1 1 A 22 22 VAL CA C 22 61.027 61.329 -0.302 1 1 263 . 4 1 1 A 22 22 VAL CB C 22 34.501 31.969 2.532 1 1 266 . 4 1 1 A 22 22 VAL N N 22 125.340 121.859 3.481 1 1 267 . 4 1 1 A 23 23 HIS H H 23 8.607 8.809 -0.202 1 1 268 . 4 1 1 A 23 23 HIS HA H 23 4.820 4.418 0.402 1 1 273 . 4 1 1 A 23 23 HIS C C 23 175.040 175.199 -0.159 1 1 274 . 4 1 1 A 23 23 HIS CA C 23 55.498 55.512 -0.014 1 1 275 . 4 1 1 A 23 23 HIS CB C 23 30.660 28.627 2.033 1 1 278 . 4 1 1 A 23 23 HIS N N 23 124.000 127.520 -3.520 1 1 279 . 4 1 1 A 24 24 SER H H 24 8.480 7.848 0.632 1 1 280 . 4 1 1 A 24 24 SER HA H 24 4.480 4.494 -0.014 1 1 283 . 4 1 1 A 24 24 SER C C 24 173.860 174.811 -0.951 1 1 284 . 4 1 1 A 24 24 SER CA C 24 57.690 58.253 -0.563 1 1 285 . 4 1 1 A 24 24 SER CB C 24 64.580 63.430 1.150 1 1 286 . 4 1 1 A 24 24 SER N N 24 118.250 116.094 2.156 1 1 287 . 4 1 1 A 25 25 LYS H H 25 8.517 7.711 0.806 1 1 288 . 4 1 1 A 25 25 LYS HA H 25 4.561 4.574 -0.013 1 1 297 . 4 1 1 A 25 25 LYS C C 25 176.160 176.321 -0.161 1 1 298 . 4 1 1 A 25 25 LYS CA C 25 56.255 55.164 1.091 1 1 299 . 4 1 1 A 25 25 LYS CB C 25 33.714 33.276 0.438 1 1 303 . 4 1 1 A 25 25 LYS N N 25 122.750 121.477 1.273 1 1 304 . 4 1 1 A 26 26 ALA H H 26 8.468 7.907 0.561 1 1 305 . 4 1 1 A 26 26 ALA HA H 26 4.470 4.563 -0.093 1 1 309 . 4 1 1 A 26 26 ALA C C 26 177.950 177.785 0.165 1 1 310 . 4 1 1 A 26 26 ALA CA C 26 51.912 51.500 0.412 1 1 311 . 4 1 1 A 26 26 ALA CB C 26 20.050 19.674 0.376 1 1 312 . 4 1 1 A 26 26 ALA N N 26 125.370 122.653 2.717 1 1 313 . 4 1 1 A 27 27 ASP H H 27 8.509 8.291 0.218 1 1 314 . 4 1 1 A 27 27 ASP HA H 27 4.460 4.356 0.104 1 1 317 . 4 1 1 A 27 27 ASP C C 27 176.480 178.282 -1.802 1 1 318 . 4 1 1 A 27 27 ASP CA C 27 55.490 57.004 -1.514 1 1 319 . 4 1 1 A 27 27 ASP CB C 27 40.771 40.626 0.145 1 1 320 . 4 1 1 A 27 27 ASP N N 27 120.380 120.175 0.205 1 1 321 . 4 1 1 A 28 28 ASN H H 28 8.193 7.747 0.446 1 1 322 . 4 1 1 A 28 28 ASN HA H 28 4.620 4.809 -0.189 1 1 327 . 4 1 1 A 28 28 ASN C C 28 176.310 175.495 0.815 1 1 328 . 4 1 1 A 28 28 ASN CA C 28 53.050 53.346 -0.296 1 1 329 . 4 1 1 A 28 28 ASN CB C 28 38.080 38.973 -0.893 1 1 330 . 4 1 1 A 28 28 ASN N N 28 117.470 115.523 1.947 1 1 332 . 4 1 1 A 29 29 GLY H H 29 8.359 8.114 0.245 1 1 333 . 4 1 1 A 29 29 GLY HA2 H 29 4.110 4.048 0.062 1 1 334 . 4 1 1 A 29 29 GLY HA3 H 29 3.720 4.054 -0.334 1 1 335 . 4 1 1 A 29 29 GLY C C 29 174.365 173.972 0.393 1 1 336 . 4 1 1 A 29 29 GLY CA C 29 45.688 45.455 0.233 1 1 337 . 4 1 1 A 29 29 GLY N N 29 108.230 107.180 1.050 1 1 338 . 4 1 1 A 30 30 GLN H H 30 7.920 7.545 0.375 1 1 339 . 4 1 1 A 30 30 GLN HA H 30 4.200 4.913 -0.713 1 1 346 . 4 1 1 A 30 30 GLN C C 30 174.330 175.392 -1.062 1 1 347 . 4 1 1 A 30 30 GLN CA C 30 56.210 54.395 1.815 1 1 348 . 4 1 1 A 30 30 GLN CB C 30 29.320 31.886 -2.566 1 1 350 . 4 1 1 A 30 30 GLN N N 30 119.670 118.874 0.796 1 1 352 . 4 1 1 A 31 31 LYS H H 31 8.390 8.644 -0.254 1 1 353 . 4 1 1 A 31 31 LYS HA H 31 4.490 4.521 -0.031 1 1 362 . 4 1 1 A 31 31 LYS C C 31 176.052 175.775 0.277 1 1 363 . 4 1 1 A 31 31 LYS CA C 31 56.417 55.920 0.497 1 1 364 . 4 1 1 A 31 31 LYS CB C 31 33.414 34.074 -0.660 1 1 368 . 4 1 1 A 31 31 LYS N N 31 121.950 118.664 3.286 1 1 369 . 4 1 1 A 32 32 TYR H H 32 8.160 7.633 0.527 1 1 370 . 4 1 1 A 32 32 TYR HA H 32 4.770 4.371 0.399 1 1 377 . 4 1 1 A 32 32 TYR C C 32 175.560 174.656 0.904 1 1 378 . 4 1 1 A 32 32 TYR CA C 32 56.300 57.008 -0.708 1 1 379 . 4 1 1 A 32 32 TYR CB C 32 40.074 39.920 0.154 1 1 384 . 4 1 1 A 32 32 TYR N N 32 119.960 118.425 1.535 1 1 385 . 4 1 1 A 33 33 LYS H H 33 8.397 8.476 -0.079 1 1 386 . 4 1 1 A 33 33 LYS HA H 33 4.610 4.795 -0.185 1 1 395 . 4 1 1 A 33 33 LYS C C 33 174.080 174.929 -0.849 1 1 396 . 4 1 1 A 33 33 LYS CA C 33 55.512 53.997 1.515 1 1 397 . 4 1 1 A 33 33 LYS CB C 33 34.570 36.112 -1.542 1 1 401 . 4 1 1 A 33 33 LYS N N 33 122.080 119.309 2.771 1 1 402 . 4 1 1 A 34 34 ASP H H 34 8.140 8.706 -0.566 1 1 403 . 4 1 1 A 34 34 ASP HA H 34 5.040 5.235 -0.195 1 1 406 . 4 1 1 A 34 34 ASP C C 34 173.740 174.598 -0.858 1 1 407 . 4 1 1 A 34 34 ASP CA C 34 53.104 52.373 0.731 1 1 408 . 4 1 1 A 34 34 ASP CB C 34 44.290 44.557 -0.267 1 1 409 . 4 1 1 A 34 34 ASP N N 34 121.430 120.165 1.265 1 1 410 . 4 1 1 A 35 35 TYR H H 35 8.849 9.326 -0.477 1 1 411 . 4 1 1 A 35 35 TYR HA H 35 4.660 4.731 -0.071 1 1 418 . 4 1 1 A 35 35 TYR C C 35 174.450 175.353 -0.903 1 1 419 . 4 1 1 A 35 35 TYR CA C 35 57.177 57.979 -0.802 1 1 420 . 4 1 1 A 35 35 TYR CB C 35 40.955 38.967 1.988 1 1 425 . 4 1 1 A 35 35 TYR N N 35 116.670 121.241 -4.571 1 1 426 . 4 1 1 A 36 36 GLU H H 36 9.144 9.060 0.084 1 1 427 . 4 1 1 A 36 36 GLU HA H 36 4.615 4.480 0.135 1 1 432 . 4 1 1 A 36 36 GLU C C 36 175.850 174.443 1.407 1 1 433 . 4 1 1 A 36 36 GLU CA C 36 55.700 56.042 -0.342 1 1 434 . 4 1 1 A 36 36 GLU CB C 36 32.541 30.694 1.847 1 1 436 . 4 1 1 A 36 36 GLU N N 36 122.490 125.116 -2.626 1 1 437 . 4 1 1 A 37 37 TYR H H 37 8.598 9.184 -0.586 1 1 438 . 4 1 1 A 37 37 TYR HA H 37 4.090 4.859 -0.769 1 1 445 . 4 1 1 A 37 37 TYR C C 37 174.140 173.871 0.269 1 1 446 . 4 1 1 A 37 37 TYR CA C 37 58.399 56.124 2.275 1 1 447 . 4 1 1 A 37 37 TYR CB C 37 41.690 39.459 2.231 1 1 452 . 4 1 1 A 37 37 TYR N N 37 122.480 126.169 -3.689 1 1 453 . 4 1 1 A 38 38 LYS H H 38 8.410 8.997 -0.587 1 1 454 . 4 1 1 A 38 38 LYS HA H 38 5.080 5.009 0.071 1 1 463 . 4 1 1 A 38 38 LYS C C 38 174.980 175.480 -0.500 1 1 464 . 4 1 1 A 38 38 LYS CA C 38 56.133 54.953 1.180 1 1 465 . 4 1 1 A 38 38 LYS CB C 38 33.525 35.164 -1.639 1 1 469 . 4 1 1 A 38 38 LYS N N 38 124.250 125.999 -1.749 1 1 470 . 4 1 1 A 39 39 LEU H H 39 8.555 8.868 -0.313 1 1 471 . 4 1 1 A 39 39 LEU HA H 39 4.865 4.869 -0.004 1 1 480 . 4 1 1 A 39 39 LEU C C 39 175.120 175.089 0.031 1 1 481 . 4 1 1 A 39 39 LEU CA C 39 53.316 53.782 -0.466 1 1 482 . 4 1 1 A 39 39 LEU CB C 39 47.338 45.131 2.207 1 1 485 . 4 1 1 A 39 39 LEU N N 39 124.840 122.100 2.740 1 1 486 . 4 1 1 A 40 40 THR H H 40 8.615 8.689 -0.074 1 1 487 . 4 1 1 A 40 40 THR HA H 40 4.410 4.742 -0.332 1 1 492 . 4 1 1 A 40 40 THR C C 40 173.360 174.260 -0.900 1 1 493 . 4 1 1 A 40 40 THR CA C 40 63.200 61.329 1.871 1 1 494 . 4 1 1 A 40 40 THR CB C 40 69.100 69.925 -0.825 1 1 496 . 4 1 1 A 40 40 THR N N 40 118.390 116.673 1.717 1 1 497 . 4 1 1 A 41 41 GLY H H 41 8.545 9.357 -0.812 1 1 498 . 4 1 1 A 41 41 GLY HA2 H 41 3.030 4.047 -1.017 1 1 499 . 4 1 1 A 41 41 GLY HA3 H 41 4.910 4.248 0.662 1 1 500 . 4 1 1 A 41 41 GLY C C 41 171.375 173.016 -1.641 1 1 501 . 4 1 1 A 41 41 GLY CA C 41 43.963 44.787 -0.824 1 1 502 . 4 1 1 A 41 41 GLY N N 41 113.500 114.667 -1.167 1 1 503 . 4 1 1 A 42 42 PHE H H 42 8.650 8.084 0.566 1 1 504 . 4 1 1 A 42 42 PHE HA H 42 5.910 6.320 -0.410 1 1 512 . 4 1 1 A 42 42 PHE C C 42 176.670 173.674 2.996 1 1 513 . 4 1 1 A 42 42 PHE CA C 42 56.260 55.556 0.704 1 1 514 . 4 1 1 A 42 42 PHE CB C 42 44.750 41.415 3.335 1 1 520 . 4 1 1 A 42 42 PHE N N 42 113.300 121.316 -8.016 1 1 521 . 4 1 1 A 43 43 ASP H H 43 9.040 8.566 0.474 1 1 522 . 4 1 1 A 43 43 ASP HA H 43 5.100 4.825 0.275 1 1 525 . 4 1 1 A 43 43 ASP C C 43 177.790 175.123 2.667 1 1 526 . 4 1 1 A 43 43 ASP CA C 43 51.990 53.007 -1.017 1 1 527 . 4 1 1 A 43 43 ASP CB C 43 41.660 43.536 -1.876 1 1 528 . 4 1 1 A 43 43 ASP N N 43 123.450 121.193 2.257 1 1 529 . 4 1 1 A 44 44 LYS H H 44 8.689 8.747 -0.058 1 1 530 . 4 1 1 A 44 44 LYS HA H 44 3.920 4.150 -0.230 1 1 539 . 4 1 1 A 44 44 LYS C C 44 175.450 174.816 0.634 1 1 540 . 4 1 1 A 44 44 LYS CA C 44 58.730 58.216 0.514 1 1 541 . 4 1 1 A 44 44 LYS CB C 44 31.707 32.299 -0.592 1 1 545 . 4 1 1 A 44 44 LYS N N 44 113.360 122.352 -8.992 1 1 546 . 4 1 1 A 45 45 ASP H H 45 8.178 8.316 -0.138 1 1 547 . 4 1 1 A 45 45 ASP HA H 45 4.930 4.824 0.106 1 1 550 . 4 1 1 A 45 45 ASP C C 45 176.710 176.214 0.496 1 1 551 . 4 1 1 A 45 45 ASP CA C 45 54.501 53.093 1.408 1 1 552 . 4 1 1 A 45 45 ASP CB C 45 42.260 41.868 0.392 1 1 553 . 4 1 1 A 45 45 ASP N N 45 119.050 119.369 -0.319 1 1 554 . 4 1 1 A 46 46 GLY H H 46 8.853 8.167 0.686 1 1 555 . 4 1 1 A 46 46 GLY HA2 H 46 4.120 3.946 0.174 1 1 556 . 4 1 1 A 46 46 GLY HA3 H 46 3.350 3.980 -0.630 1 1 557 . 4 1 1 A 46 46 GLY C C 46 173.020 174.145 -1.125 1 1 558 . 4 1 1 A 46 46 GLY CA C 46 45.510 46.497 -0.987 1 1 559 . 4 1 1 A 46 46 GLY N N 46 110.250 107.848 2.402 1 1 560 . 4 1 1 A 47 47 LYS H H 47 8.640 7.416 1.224 1 1 561 . 4 1 1 A 47 47 LYS HA H 47 4.320 4.824 -0.504 1 1 570 . 4 1 1 A 47 47 LYS C C 47 176.180 175.559 0.621 1 1 571 . 4 1 1 A 47 47 LYS CA C 47 57.200 54.190 3.010 1 1 572 . 4 1 1 A 47 47 LYS CB C 47 32.300 35.421 -3.121 1 1 576 . 4 1 1 A 47 47 LYS N N 47 123.450 119.137 4.313 1 1 577 . 4 1 1 A 48 48 GLU H H 48 8.510 8.741 -0.231 1 1 578 . 4 1 1 A 48 48 GLU HA H 48 4.914 5.103 -0.189 1 1 583 . 4 1 1 A 48 48 GLU C C 48 176.545 175.668 0.877 1 1 584 . 4 1 1 A 48 48 GLU CA C 48 55.540 55.485 0.055 1 1 585 . 4 1 1 A 48 48 GLU CB C 48 32.850 31.734 1.116 1 1 587 . 4 1 1 A 48 48 GLU N N 48 123.300 121.757 1.543 1 1 588 . 4 1 1 A 49 49 LYS H H 49 8.304 9.040 -0.736 1 1 589 . 4 1 1 A 49 49 LYS HA H 49 4.080 5.047 -0.967 1 1 598 . 4 1 1 A 49 49 LYS C C 49 173.870 174.398 -0.528 1 1 599 . 4 1 1 A 49 49 LYS CA C 49 54.797 54.815 -0.018 1 1 600 . 4 1 1 A 49 49 LYS CB C 49 36.248 36.448 -0.200 1 1 604 . 4 1 1 A 49 49 LYS N N 49 123.450 123.544 -0.094 1 1 605 . 4 1 1 A 50 50 GLU H H 50 8.377 8.605 -0.228 1 1 606 . 4 1 1 A 50 50 GLU HA H 50 4.298 4.653 -0.355 1 1 611 . 4 1 1 A 50 50 GLU C C 50 175.090 175.509 -0.419 1 1 612 . 4 1 1 A 50 50 GLU CA C 50 56.950 55.909 1.041 1 1 613 . 4 1 1 A 50 50 GLU CB C 50 29.872 30.590 -0.718 1 1 615 . 4 1 1 A 50 50 GLU N N 50 127.100 126.788 0.312 1 1 616 . 4 1 1 A 51 51 LEU H H 51 8.934 8.926 0.008 1 1 617 . 4 1 1 A 51 51 LEU HA H 51 4.517 5.108 -0.591 1 1 627 . 4 1 1 A 51 51 LEU C C 51 174.890 175.713 -0.823 1 1 628 . 4 1 1 A 51 51 LEU CA C 51 53.817 53.391 0.426 1 1 629 . 4 1 1 A 51 51 LEU CB C 51 45.254 44.511 0.743 1 1 633 . 4 1 1 A 51 51 LEU N N 51 127.790 129.083 -1.293 1 1 634 . 4 1 1 A 52 52 GLU H H 52 8.360 9.137 -0.777 1 1 635 . 4 1 1 A 52 52 GLU HA H 52 5.417 5.615 -0.198 1 1 640 . 4 1 1 A 52 52 GLU C C 52 174.890 174.913 -0.023 1 1 641 . 4 1 1 A 52 52 GLU CA C 52 54.519 54.933 -0.414 1 1 642 . 4 1 1 A 52 52 GLU CB C 52 32.500 32.116 0.384 1 1 644 . 4 1 1 A 52 52 GLU N N 52 121.180 121.237 -0.057 1 1 645 . 4 1 1 A 53 53 PHE H H 53 8.465 8.345 0.120 1 1 646 . 4 1 1 A 53 53 PHE HA H 53 5.130 5.754 -0.624 1 1 654 . 4 1 1 A 53 53 PHE C C 53 172.660 173.101 -0.441 1 1 655 . 4 1 1 A 53 53 PHE CA C 53 56.508 55.451 1.057 1 1 656 . 4 1 1 A 53 53 PHE CB C 53 40.095 42.214 -2.119 1 1 662 . 4 1 1 A 53 53 PHE N N 53 118.940 119.354 -0.414 1 1 663 . 4 1 1 A 54 54 THR H H 54 8.622 9.110 -0.488 1 1 664 . 4 1 1 A 54 54 THR HA H 54 5.530 5.689 -0.159 1 1 669 . 4 1 1 A 54 54 THR C C 54 173.470 173.490 -0.020 1 1 670 . 4 1 1 A 54 54 THR CA C 54 60.148 60.576 -0.428 1 1 671 . 4 1 1 A 54 54 THR CB C 54 71.820 70.756 1.064 1 1 673 . 4 1 1 A 54 54 THR N N 54 112.280 112.557 -0.277 1 1 674 . 4 1 1 A 55 55 ALA H H 55 9.710 9.041 0.669 1 1 675 . 4 1 1 A 55 55 ALA HA H 55 5.354 4.852 0.502 1 1 679 . 4 1 1 A 55 55 ALA C C 55 176.720 178.062 -1.342 1 1 680 . 4 1 1 A 55 55 ALA CA C 55 50.568 50.814 -0.246 1 1 681 . 4 1 1 A 55 55 ALA CB C 55 24.180 20.470 3.710 1 1 682 . 4 1 1 A 55 55 ALA N N 55 126.340 129.142 -2.802 1 1 683 . 4 1 1 A 56 56 GLN H H 56 9.130 8.724 0.406 1 1 684 . 4 1 1 A 56 56 GLN HA H 56 5.030 4.421 0.609 1 1 691 . 4 1 1 A 56 56 GLN C C 56 174.960 175.896 -0.936 1 1 692 . 4 1 1 A 56 56 GLN CA C 56 56.820 58.167 -1.347 1 1 693 . 4 1 1 A 56 56 GLN CB C 56 29.180 29.782 -0.602 1 1 695 . 4 1 1 A 56 56 GLN N N 56 118.540 121.243 -2.703 1 1 697 . 4 1 1 A 57 57 LYS H H 57 7.656 7.759 -0.103 1 1 698 . 4 1 1 A 57 57 LYS HA H 57 4.360 5.034 -0.674 1 1 707 . 4 1 1 A 57 57 LYS C C 57 172.490 175.059 -2.569 1 1 708 . 4 1 1 A 57 57 LYS CA C 57 54.351 54.423 -0.072 1 1 709 . 4 1 1 A 57 57 LYS CB C 57 35.360 35.943 -0.583 1 1 713 . 4 1 1 A 57 57 LYS N N 57 116.270 119.897 -3.627 1 1 714 . 4 1 1 A 58 58 ASN H H 58 7.709 8.285 -0.576 1 1 715 . 4 1 1 A 58 58 ASN HA H 58 4.000 4.989 -0.989 1 1 720 . 4 1 1 A 58 58 ASN C C 58 175.490 175.372 0.118 1 1 721 . 4 1 1 A 58 58 ASN CA C 58 53.498 52.998 0.500 1 1 722 . 4 1 1 A 58 58 ASN CB C 58 38.538 38.963 -0.425 1 1 723 . 4 1 1 A 58 58 ASN N N 58 117.960 124.601 -6.641 1 1 725 . 4 1 1 A 59 59 LEU H H 59 7.940 9.003 -1.063 1 1 726 . 4 1 1 A 59 59 LEU HA H 59 3.950 4.529 -0.579 1 1 736 . 4 1 1 A 59 59 LEU C C 59 176.410 177.267 -0.857 1 1 737 . 4 1 1 A 59 59 LEU CA C 59 54.550 54.169 0.381 1 1 738 . 4 1 1 A 59 59 LEU CB C 59 42.370 42.197 0.173 1 1 742 . 4 1 1 A 59 59 LEU N N 59 128.190 126.537 1.653 1 1 743 . 4 1 1 A 60 60 ARG H H 60 8.355 8.132 0.223 1 1 744 . 4 1 1 A 60 60 ARG HA H 60 3.870 4.384 -0.514 1 1 752 . 4 1 1 A 60 60 ARG C C 60 175.350 176.186 -0.836 1 1 753 . 4 1 1 A 60 60 ARG CA C 60 56.695 56.339 0.356 1 1 754 . 4 1 1 A 60 60 ARG CB C 60 31.290 31.430 -0.140 1 1 757 . 4 1 1 A 60 60 ARG N N 60 123.759 120.199 3.560 1 1 759 . 4 1 1 A 61 61 LYS H H 61 8.178 8.738 -0.560 1 1 760 . 4 1 1 A 61 61 LYS HA H 61 3.680 4.461 -0.781 1 1 769 . 4 1 1 A 61 61 LYS C C 61 177.290 176.507 0.783 1 1 770 . 4 1 1 A 61 61 LYS CA C 61 58.733 57.416 1.317 1 1 771 . 4 1 1 A 61 61 LYS CB C 61 31.564 33.953 -2.389 1 1 775 . 4 1 1 A 61 61 LYS N N 61 125.600 119.946 5.654 1 1 776 . 4 1 1 A 62 62 GLU H H 62 8.949 7.774 1.175 1 1 777 . 4 1 1 A 62 62 GLU HA H 62 3.340 4.366 -1.026 1 1 782 . 4 1 1 A 62 62 GLU C C 62 176.170 175.051 1.119 1 1 783 . 4 1 1 A 62 62 GLU CA C 62 59.156 55.609 3.547 1 1 784 . 4 1 1 A 62 62 GLU CB C 62 28.040 28.291 -0.251 1 1 786 . 4 1 1 A 62 62 GLU N N 62 112.860 118.271 -5.411 1 1 787 . 4 1 1 A 63 63 ALA H H 63 7.604 7.721 -0.117 1 1 788 . 4 1 1 A 63 63 ALA HA H 63 4.020 4.859 -0.839 1 1 792 . 4 1 1 A 63 63 ALA C C 63 175.530 175.200 0.330 1 1 793 . 4 1 1 A 63 63 ALA CA C 63 53.074 51.570 1.504 1 1 794 . 4 1 1 A 63 63 ALA CB C 63 19.323 22.941 -3.618 1 1 795 . 4 1 1 A 63 63 ALA N N 63 122.700 125.849 -3.149 1 1 796 . 4 1 1 A 64 64 PHE H H 64 8.876 8.975 -0.099 1 1 797 . 4 1 1 A 64 64 PHE HA H 64 5.470 5.469 0.001 1 1 802 . 4 1 1 A 64 64 PHE C C 64 175.480 175.126 0.354 1 1 803 . 4 1 1 A 64 64 PHE CA C 64 56.780 56.859 -0.079 1 1 804 . 4 1 1 A 64 64 PHE CB C 64 41.566 41.791 -0.225 1 1 807 . 4 1 1 A 64 64 PHE N N 64 118.670 118.529 0.141 1 1 808 . 4 1 1 A 65 65 LEU H H 65 8.870 9.313 -0.443 1 1 809 . 4 1 1 A 65 65 LEU HA H 65 5.390 4.940 0.450 1 1 819 . 4 1 1 A 65 65 LEU C C 65 176.030 174.671 1.359 1 1 820 . 4 1 1 A 65 65 LEU CA C 65 52.926 54.537 -1.611 1 1 821 . 4 1 1 A 65 65 LEU CB C 65 45.561 46.172 -0.611 1 1 825 . 4 1 1 A 65 65 LEU N N 65 118.700 121.503 -2.803 1 1 826 . 4 1 1 A 66 66 ARG H H 66 9.031 9.011 0.020 1 1 827 . 4 1 1 A 66 66 ARG HA H 66 4.345 4.791 -0.446 1 1 835 . 4 1 1 A 66 66 ARG C C 66 174.220 175.679 -1.459 1 1 836 . 4 1 1 A 66 66 ARG CA C 66 54.957 55.760 -0.803 1 1 837 . 4 1 1 A 66 66 ARG CB C 66 32.885 31.088 1.797 1 1 840 . 4 1 1 A 66 66 ARG N N 66 121.590 126.333 -4.743 1 1 842 . 4 1 1 A 67 67 VAL H H 67 9.359 8.996 0.363 1 1 843 . 4 1 1 A 67 67 VAL HA H 67 4.400 4.881 -0.481 1 1 851 . 4 1 1 A 67 67 VAL C C 67 174.070 174.104 -0.034 1 1 852 . 4 1 1 A 67 67 VAL CA C 67 60.910 60.440 0.470 1 1 853 . 4 1 1 A 67 67 VAL CB C 67 33.960 34.047 -0.087 1 1 856 . 4 1 1 A 67 67 VAL N N 67 126.230 119.430 6.800 1 1 857 . 4 1 1 A 68 68 TYR H H 68 8.710 9.223 -0.513 1 1 858 . 4 1 1 A 68 68 TYR HA H 68 5.070 4.708 0.362 1 1 865 . 4 1 1 A 68 68 TYR C C 68 175.390 174.507 0.883 1 1 866 . 4 1 1 A 68 68 TYR CA C 68 57.290 56.818 0.472 1 1 867 . 4 1 1 A 68 68 TYR CB C 68 38.690 38.317 0.373 1 1 872 . 4 1 1 A 68 68 TYR N N 68 125.200 127.620 -2.420 1 1 873 . 4 1 1 A 69 69 HIS H H 69 9.224 8.904 0.320 1 1 874 . 4 1 1 A 69 69 HIS HA H 69 5.200 4.778 0.422 1 1 879 . 4 1 1 A 69 69 HIS C C 69 173.600 173.838 -0.238 1 1 880 . 4 1 1 A 69 69 HIS CA C 69 56.502 54.887 1.615 1 1 881 . 4 1 1 A 69 69 HIS CB C 69 35.873 29.610 6.263 1 1 884 . 4 1 1 A 69 69 HIS N N 69 124.780 129.193 -4.413 1 1 885 . 4 1 1 A 70 70 SER H H 70 7.425 8.073 -0.648 1 1 886 . 4 1 1 A 70 70 SER HA H 70 4.800 4.704 0.096 1 1 889 . 4 1 1 A 70 70 SER C C 70 173.790 175.031 -1.241 1 1 890 . 4 1 1 A 70 70 SER CA C 70 56.840 56.166 0.674 1 1 891 . 4 1 1 A 70 70 SER CB C 70 66.500 65.051 1.449 1 1 892 . 4 1 1 A 70 70 SER N N 70 118.910 123.135 -4.225 1 1 893 . 4 1 1 A 71 71 ASP H H 71 9.020 9.139 -0.119 1 1 894 . 4 1 1 A 71 71 ASP HA H 71 4.390 4.258 0.132 1 1 897 . 4 1 1 A 71 71 ASP C C 71 178.030 177.432 0.598 1 1 898 . 4 1 1 A 71 71 ASP CA C 71 57.220 56.521 0.699 1 1 899 . 4 1 1 A 71 71 ASP CB C 71 40.622 40.368 0.254 1 1 900 . 4 1 1 A 71 71 ASP N N 71 123.340 127.471 -4.131 1 1 901 . 4 1 1 A 72 72 LYS H H 72 8.220 7.749 0.471 1 1 902 . 4 1 1 A 72 72 LYS HA H 72 4.123 4.213 -0.090 1 1 911 . 4 1 1 A 72 72 LYS C C 72 177.560 176.139 1.421 1 1 912 . 4 1 1 A 72 72 LYS CA C 72 58.383 57.839 0.544 1 1 913 . 4 1 1 A 72 72 LYS CB C 72 32.778 32.019 0.759 1 1 917 . 4 1 1 A 72 72 LYS N N 72 116.640 115.176 1.464 1 1 918 . 4 1 1 A 73 73 LYS H H 73 7.367 8.146 -0.779 1 1 919 . 4 1 1 A 73 73 LYS HA H 73 4.449 4.214 0.235 1 1 928 . 4 1 1 A 73 73 LYS C C 73 176.750 176.288 0.462 1 1 929 . 4 1 1 A 73 73 LYS CA C 73 55.614 58.266 -2.652 1 1 930 . 4 1 1 A 73 73 LYS CB C 73 33.910 31.168 2.742 1 1 934 . 4 1 1 A 73 73 LYS N N 73 115.780 115.972 -0.192 1 1 935 . 4 1 1 A 74 74 GLY H H 74 8.240 8.681 -0.441 1 1 936 . 4 1 1 A 74 74 GLY HA2 H 74 3.630 3.948 -0.318 1 1 937 . 4 1 1 A 74 74 GLY HA3 H 74 4.240 3.959 0.281 1 1 938 . 4 1 1 A 74 74 GLY C C 74 174.817 174.616 0.201 1 1 939 . 4 1 1 A 74 74 GLY CA C 74 45.075 45.521 -0.446 1 1 940 . 4 1 1 A 74 74 GLY N N 74 110.370 110.704 -0.334 1 1 941 . 4 1 1 A 75 75 VAL H H 75 9.140 8.224 0.916 1 1 942 . 4 1 1 A 75 75 VAL HA H 75 4.640 4.079 0.561 1 1 950 . 4 1 1 A 75 75 VAL C C 75 177.000 175.708 1.292 1 1 951 . 4 1 1 A 75 75 VAL CA C 75 63.550 63.107 0.443 1 1 952 . 4 1 1 A 75 75 VAL CB C 75 32.237 30.697 1.540 1 1 955 . 4 1 1 A 75 75 VAL N N 75 124.300 116.342 7.958 1 1 956 . 4 1 1 A 76 76 SER H H 76 9.020 8.747 0.273 1 1 957 . 4 1 1 A 76 76 SER HA H 76 4.640 4.450 0.190 1 1 960 . 4 1 1 A 76 76 SER C C 76 174.250 174.122 0.128 1 1 961 . 4 1 1 A 76 76 SER CA C 76 58.440 60.265 -1.825 1 1 962 . 4 1 1 A 76 76 SER CB C 76 64.550 64.072 0.478 1 1 963 . 4 1 1 A 76 76 SER N N 76 122.490 121.687 0.803 1 1 964 . 4 1 1 A 77 77 ALA H H 77 7.890 7.564 0.326 1 1 965 . 4 1 1 A 77 77 ALA HA H 77 4.420 4.661 -0.241 1 1 969 . 4 1 1 A 77 77 ALA C C 77 174.430 175.023 -0.593 1 1 970 . 4 1 1 A 77 77 ALA CA C 77 51.940 51.280 0.660 1 1 971 . 4 1 1 A 77 77 ALA CB C 77 22.234 22.539 -0.305 1 1 972 . 4 1 1 A 77 77 ALA N N 77 122.930 119.463 3.467 1 1 973 . 4 1 1 A 78 78 TRP H H 78 7.776 8.435 -0.659 1 1 974 . 4 1 1 A 78 78 TRP HA H 78 5.690 5.655 0.035 1 1 982 . 4 1 1 A 78 78 TRP C C 78 174.450 174.393 0.057 1 1 983 . 4 1 1 A 78 78 TRP CA C 78 55.899 54.825 1.074 1 1 984 . 4 1 1 A 78 78 TRP CB C 78 32.602 31.947 0.655 1 1 989 . 4 1 1 A 78 78 TRP N N 78 114.705 116.543 -1.838 1 1 991 . 4 1 1 A 79 79 GLU H H 79 9.210 8.989 0.221 1 1 992 . 4 1 1 A 79 79 GLU HA H 79 4.730 4.703 0.027 1 1 997 . 4 1 1 A 79 79 GLU C C 79 174.130 174.806 -0.676 1 1 998 . 4 1 1 A 79 79 GLU CA C 79 54.939 55.029 -0.090 1 1 999 . 4 1 1 A 79 79 GLU CB C 79 31.656 32.318 -0.662 1 1 1001 . 4 1 1 A 79 79 GLU N N 79 114.860 124.185 -9.325 1 1 1002 . 4 1 1 A 80 80 GLU H H 80 9.120 8.782 0.338 1 1 1003 . 4 1 1 A 80 80 GLU HA H 80 5.030 4.917 0.113 1 1 1008 . 4 1 1 A 80 80 GLU C C 80 176.580 176.493 0.087 1 1 1009 . 4 1 1 A 80 80 GLU CA C 80 57.193 56.010 1.183 1 1 1010 . 4 1 1 A 80 80 GLU CB C 80 29.856 31.092 -1.236 1 1 1012 . 4 1 1 A 80 80 GLU N N 80 123.960 125.439 -1.479 1 1 1013 . 4 1 1 A 81 81 VAL H H 81 8.694 8.929 -0.235 1 1 1014 . 4 1 1 A 81 81 VAL HA H 81 4.780 5.083 -0.303 1 1 1022 . 4 1 1 A 81 81 VAL C C 81 174.460 175.159 -0.699 1 1 1023 . 4 1 1 A 81 81 VAL CA C 81 58.927 59.033 -0.106 1 1 1024 . 4 1 1 A 81 81 VAL CB C 81 35.550 36.326 -0.776 1 1 1027 . 4 1 1 A 81 81 VAL N N 81 118.990 120.209 -1.219 1 1 1028 . 4 1 1 A 82 82 LYS H H 82 8.708 8.621 0.087 1 1 1029 . 4 1 1 A 82 82 LYS HA H 82 4.580 4.872 -0.292 1 1 1038 . 4 1 1 A 82 82 LYS C C 82 178.380 177.691 0.689 1 1 1039 . 4 1 1 A 82 82 LYS CA C 82 55.212 54.510 0.702 1 1 1040 . 4 1 1 A 82 82 LYS CB C 82 33.689 35.134 -1.445 1 1 1044 . 4 1 1 A 82 82 LYS N N 82 120.850 120.396 0.454 1 1 1045 . 4 1 1 A 83 83 LYS H H 83 8.870 9.139 -0.269 1 1 1046 . 4 1 1 A 83 83 LYS HA H 83 3.180 3.887 -0.707 1 1 1055 . 4 1 1 A 83 83 LYS C C 83 177.690 178.200 -0.510 1 1 1056 . 4 1 1 A 83 83 LYS CA C 83 59.370 58.759 0.611 1 1 1057 . 4 1 1 A 83 83 LYS CB C 83 32.209 32.054 0.155 1 1 1061 . 4 1 1 A 83 83 LYS N N 83 121.435 121.169 0.266 1 1 1062 . 4 1 1 A 84 84 ASP H H 84 8.059 8.270 -0.211 1 1 1063 . 4 1 1 A 84 84 ASP HA H 84 4.220 4.410 -0.190 1 1 1066 . 4 1 1 A 84 84 ASP C C 84 177.100 177.697 -0.597 1 1 1067 . 4 1 1 A 84 84 ASP CA C 84 55.680 56.932 -1.252 1 1 1068 . 4 1 1 A 84 84 ASP CB C 84 40.392 40.471 -0.079 1 1 1069 . 4 1 1 A 84 84 ASP N N 84 112.520 119.658 -7.138 1 1 1070 . 4 1 1 A 85 85 GLU H H 85 7.686 7.507 0.179 1 1 1071 . 4 1 1 A 85 85 GLU HA H 85 4.136 4.395 -0.259 1 1 1076 . 4 1 1 A 85 85 GLU C C 85 176.270 176.208 0.062 1 1 1077 . 4 1 1 A 85 85 GLU CA C 85 56.133 56.269 -0.136 1 1 1078 . 4 1 1 A 85 85 GLU CB C 85 30.479 30.368 0.111 1 1 1080 . 4 1 1 A 85 85 GLU N N 85 116.930 117.507 -0.577 1 1 1081 . 4 1 1 A 86 86 LEU H H 86 7.017 7.099 -0.082 1 1 1082 . 4 1 1 A 86 86 LEU HA H 86 3.710 4.362 -0.652 1 1 1092 . 4 1 1 A 86 86 LEU CA C 86 52.600 51.864 0.736 1 1 1093 . 4 1 1 A 86 86 LEU CB C 86 42.120 42.179 -0.059 1 1 1097 . 4 1 1 A 86 86 LEU N N 86 119.530 121.534 -2.004 1 1 1098 . 4 1 1 A 87 87 PRO HA H 87 4.330 4.430 -0.100 1 1 1105 . 4 1 1 A 87 87 PRO C C 87 176.940 177.484 -0.544 1 1 1106 . 4 1 1 A 87 87 PRO CA C 87 62.400 62.797 -0.397 1 1 1107 . 4 1 1 A 87 87 PRO CB C 87 32.537 32.566 -0.029 1 1 1110 . 4 1 1 A 88 88 ALA H H 88 8.943 8.675 0.268 1 1 1111 . 4 1 1 A 88 88 ALA HA H 88 3.780 3.995 -0.215 1 1 1115 . 4 1 1 A 88 88 ALA C C 88 180.520 179.728 0.792 1 1 1116 . 4 1 1 A 88 88 ALA CA C 88 56.911 55.159 1.752 1 1 1117 . 4 1 1 A 88 88 ALA CB C 88 18.502 18.110 0.392 1 1 1118 . 4 1 1 A 88 88 ALA N N 88 128.160 127.011 1.149 1 1 1119 . 4 1 1 A 89 89 LYS H H 89 9.270 8.121 1.149 1 1 1120 . 4 1 1 A 89 89 LYS HA H 89 3.990 4.000 -0.010 1 1 1129 . 4 1 1 A 89 89 LYS C C 89 179.070 179.338 -0.268 1 1 1130 . 4 1 1 A 89 89 LYS CA C 89 58.648 59.167 -0.519 1 1 1131 . 4 1 1 A 89 89 LYS CB C 89 31.962 32.553 -0.591 1 1 1135 . 4 1 1 A 89 89 LYS N N 89 115.610 117.531 -1.921 1 1 1136 . 4 1 1 A 90 90 VAL H H 90 6.846 7.662 -0.816 1 1 1137 . 4 1 1 A 90 90 VAL HA H 90 3.230 3.490 -0.260 1 1 1145 . 4 1 1 A 90 90 VAL C C 90 177.100 178.310 -1.210 1 1 1146 . 4 1 1 A 90 90 VAL CA C 90 65.870 66.513 -0.643 1 1 1147 . 4 1 1 A 90 90 VAL CB C 90 30.880 31.347 -0.467 1 1 1150 . 4 1 1 A 90 90 VAL N N 90 117.560 119.797 -2.237 1 1 1151 . 4 1 1 A 91 91 LYS H H 91 7.850 7.907 -0.057 1 1 1152 . 4 1 1 A 91 91 LYS HA H 91 3.430 4.015 -0.585 1 1 1161 . 4 1 1 A 91 91 LYS C C 91 178.420 178.438 -0.018 1 1 1162 . 4 1 1 A 91 91 LYS CA C 91 61.028 59.078 1.950 1 1 1163 . 4 1 1 A 91 91 LYS CB C 91 32.387 31.855 0.532 1 1 1167 . 4 1 1 A 91 91 LYS N N 91 118.750 119.867 -1.117 1 1 1168 . 4 1 1 A 92 92 GLU H H 92 7.282 8.143 -0.861 1 1 1169 . 4 1 1 A 92 92 GLU HA H 92 3.990 4.239 -0.249 1 1 1174 . 4 1 1 A 92 92 GLU C C 92 179.380 178.339 1.041 1 1 1175 . 4 1 1 A 92 92 GLU CA C 92 59.030 58.570 0.460 1 1 1176 . 4 1 1 A 92 92 GLU CB C 92 29.841 30.428 -0.587 1 1 1178 . 4 1 1 A 92 92 GLU N N 92 115.375 118.733 -3.358 1 1 1179 . 4 1 1 A 93 93 LYS H H 93 7.343 8.066 -0.723 1 1 1180 . 4 1 1 A 93 93 LYS HA H 93 3.800 4.386 -0.586 1 1 1189 . 4 1 1 A 93 93 LYS C C 93 178.310 176.372 1.938 1 1 1190 . 4 1 1 A 93 93 LYS CA C 93 56.970 57.416 -0.446 1 1 1191 . 4 1 1 A 93 93 LYS CB C 93 30.740 34.721 -3.981 1 1 1195 . 4 1 1 A 93 93 LYS N N 93 118.370 118.575 -0.205 1 1 1196 . 4 1 1 A 94 94 LEU H H 94 8.000 8.525 -0.525 1 1 1197 . 4 1 1 A 94 94 LEU HA H 94 4.360 4.170 0.190 1 1 1207 . 4 1 1 A 94 94 LEU C C 94 177.350 176.205 1.145 1 1 1208 . 4 1 1 A 94 94 LEU CA C 94 54.765 55.925 -1.160 1 1 1209 . 4 1 1 A 94 94 LEU CB C 94 42.796 41.644 1.152 1 1 1213 . 4 1 1 A 94 94 LEU N N 94 115.600 119.616 -4.016 1 1 1214 . 4 1 1 A 95 95 GLY H H 95 7.601 8.588 -0.987 1 1 1215 . 4 1 1 A 95 95 GLY HA2 H 95 3.830 4.018 -0.188 1 1 1216 . 4 1 1 A 95 95 GLY HA3 H 95 3.950 4.062 -0.112 1 1 1217 . 4 1 1 A 95 95 GLY C C 95 174.790 174.171 0.619 1 1 1218 . 4 1 1 A 95 95 GLY CA C 95 46.550 45.128 1.422 1 1 1219 . 4 1 1 A 95 95 GLY N N 95 108.540 114.654 -6.114 1 1 1220 . 4 1 1 A 96 96 VAL H H 96 7.957 7.789 0.168 1 1 1221 . 4 1 1 A 96 96 VAL HA H 96 3.940 4.217 -0.277 1 1 1229 . 4 1 1 A 96 96 VAL C C 96 175.540 175.697 -0.157 1 1 1230 . 4 1 1 A 96 96 VAL CA C 96 62.314 61.554 0.760 1 1 1231 . 4 1 1 A 96 96 VAL CB C 96 32.155 32.949 -0.794 1 1 1234 . 4 1 1 A 96 96 VAL N N 96 119.490 118.964 0.526 1 1 1235 . 4 1 1 A 97 97 LYS H H 97 8.293 8.530 -0.237 1 1 1236 . 4 1 1 A 97 97 LYS HA H 97 4.210 4.578 -0.368 1 1 1245 . 4 1 1 A 97 97 LYS C C 97 176.290 175.884 0.406 1 1 1246 . 4 1 1 A 97 97 LYS CA C 97 56.174 55.914 0.260 1 1 1247 . 4 1 1 A 97 97 LYS CB C 97 33.200 33.795 -0.595 1 1 1251 . 4 1 1 A 97 97 LYS N N 97 126.120 119.657 6.463 1 1 1252 . 4 1 1 A 98 98 LEU H H 98 8.315 7.424 0.891 1 1 1253 . 4 1 1 A 98 98 LEU HA H 98 4.240 4.712 -0.472 1 1 1263 . 4 1 1 A 98 98 LEU C C 98 176.930 175.517 1.413 1 1 1264 . 4 1 1 A 98 98 LEU CA C 98 54.800 53.905 0.895 1 1 1265 . 4 1 1 A 98 98 LEU CB C 98 42.217 44.386 -2.169 1 1 1269 . 4 1 1 A 98 98 LEU N N 98 124.170 122.216 1.954 1 1 1270 . 4 1 1 A 99 99 GLU H H 99 8.375 8.472 -0.097 1 1 1271 . 4 1 1 A 99 99 GLU HA H 99 4.175 4.219 -0.044 1 1 1276 . 4 1 1 A 99 99 GLU C C 99 176.035 176.365 -0.330 1 1 1277 . 4 1 1 A 99 99 GLU CA C 99 56.352 57.577 -1.225 1 1 1278 . 4 1 1 A 99 99 GLU CB C 99 30.460 30.724 -0.264 1 1 1280 . 4 1 1 A 99 99 GLU N N 99 122.010 124.911 -2.901 1 1 1281 . 4 1 1 A 100 100 HIS H H 100 8.350 7.820 0.530 1 1 1282 . 4 1 1 A 100 100 HIS HA H 100 4.565 4.016 0.549 1 1 1285 . 4 1 1 A 100 100 HIS C C 100 173.880 173.676 0.204 1 1 1286 . 4 1 1 A 100 100 HIS CA C 100 56.050 55.975 0.075 1 1 1287 . 4 1 1 A 100 100 HIS CB C 100 30.144 27.710 2.434 1 1 1288 . 4 1 1 A 100 100 HIS N N 100 120.245 115.000 5.245 1 1 1289 . 4 1 1 A 101 101 HIS H H 101 8.134 8.248 -0.114 1 1 1290 . 4 1 1 A 101 101 HIS HA H 101 4.410 4.788 -0.378 1 1 1293 . 4 1 1 A 101 101 HIS CA C 101 57.290 54.474 2.816 1 1 1294 . 4 1 1 A 101 101 HIS CB C 101 31.450 30.879 0.571 1 1 1 . 5 1 1 A 2 2 ASP HA H 2 4.670 4.827 -0.157 1 1 4 . 5 1 1 A 2 2 ASP C C 2 176.480 176.960 -0.480 1 1 5 . 5 1 1 A 2 2 ASP CA C 2 53.400 52.881 0.519 1 1 6 . 5 1 1 A 2 2 ASP CB C 2 41.170 38.806 2.364 1 1 7 . 5 1 1 A 3 3 LEU H H 3 8.650 7.894 0.756 1 1 8 . 5 1 1 A 3 3 LEU HA H 3 4.116 3.972 0.144 1 1 18 . 5 1 1 A 3 3 LEU C C 3 177.880 178.518 -0.638 1 1 19 . 5 1 1 A 3 3 LEU CA C 3 56.390 57.574 -1.184 1 1 20 . 5 1 1 A 3 3 LEU CB C 3 41.660 41.438 0.222 1 1 24 . 5 1 1 A 3 3 LEU N N 3 125.300 121.890 3.410 1 1 25 . 5 1 1 A 4 4 ASN H H 4 8.370 8.196 0.174 1 1 26 . 5 1 1 A 4 4 ASN HA H 4 4.490 4.505 -0.015 1 1 31 . 5 1 1 A 4 4 ASN C C 4 175.050 176.505 -1.455 1 1 32 . 5 1 1 A 4 4 ASN CA C 4 54.320 56.469 -2.149 1 1 33 . 5 1 1 A 4 4 ASN CB C 4 38.240 38.035 0.205 1 1 34 . 5 1 1 A 4 4 ASN N N 4 116.550 117.710 -1.160 1 1 36 . 5 1 1 A 5 5 ARG H H 5 7.645 7.861 -0.216 1 1 37 . 5 1 1 A 5 5 ARG HA H 5 3.920 4.589 -0.669 1 1 45 . 5 1 1 A 5 5 ARG C C 5 176.030 175.251 0.779 1 1 46 . 5 1 1 A 5 5 ARG CA C 5 56.180 55.954 0.226 1 1 47 . 5 1 1 A 5 5 ARG CB C 5 31.570 31.238 0.332 1 1 50 . 5 1 1 A 5 5 ARG N N 5 118.590 114.244 4.346 1 1 52 . 5 1 1 A 6 6 MET H H 6 7.809 7.801 0.008 1 1 53 . 5 1 1 A 6 6 MET HA H 6 4.355 4.760 -0.405 1 1 58 . 5 1 1 A 6 6 MET C C 6 176.940 176.299 0.641 1 1 59 . 5 1 1 A 6 6 MET CA C 6 56.290 54.697 1.593 1 1 60 . 5 1 1 A 6 6 MET CB C 6 33.020 35.033 -2.013 1 1 62 . 5 1 1 A 6 6 MET N N 6 120.180 118.917 1.263 1 1 63 . 5 1 1 A 7 7 GLY H H 7 8.906 8.809 0.097 1 1 64 . 5 1 1 A 7 7 GLY HA2 H 7 3.870 3.878 -0.008 1 1 65 . 5 1 1 A 7 7 GLY HA3 H 7 3.950 3.878 0.072 1 1 66 . 5 1 1 A 7 7 GLY C C 7 174.280 174.873 -0.593 1 1 67 . 5 1 1 A 7 7 GLY CA C 7 46.110 46.425 -0.315 1 1 68 . 5 1 1 A 7 7 GLY N N 7 112.660 111.792 0.868 1 1 69 . 5 1 1 A 8 8 LYS H H 8 7.819 7.838 -0.019 1 1 70 . 5 1 1 A 8 8 LYS HA H 8 4.550 4.678 -0.128 1 1 79 . 5 1 1 A 8 8 LYS C C 8 176.060 175.863 0.197 1 1 80 . 5 1 1 A 8 8 LYS CA C 8 54.444 54.431 0.013 1 1 81 . 5 1 1 A 8 8 LYS CB C 8 33.760 34.314 -0.554 1 1 85 . 5 1 1 A 8 8 LYS N N 8 119.130 118.972 0.158 1 1 86 . 5 1 1 A 9 9 ASP H H 9 8.790 8.667 0.123 1 1 87 . 5 1 1 A 9 9 ASP HA H 9 4.730 4.909 -0.179 1 1 90 . 5 1 1 A 9 9 ASP C C 9 174.530 175.767 -1.237 1 1 91 . 5 1 1 A 9 9 ASP CA C 9 54.560 54.366 0.194 1 1 92 . 5 1 1 A 9 9 ASP CB C 9 42.530 41.339 1.191 1 1 93 . 5 1 1 A 9 9 ASP N N 9 121.550 122.440 -0.890 1 1 94 . 5 1 1 A 10 10 GLU H H 10 7.950 8.635 -0.685 1 1 95 . 5 1 1 A 10 10 GLU HA H 10 4.570 5.205 -0.635 1 1 100 . 5 1 1 A 10 10 GLU C C 10 174.080 174.910 -0.830 1 1 101 . 5 1 1 A 10 10 GLU CA C 10 54.640 55.211 -0.571 1 1 102 . 5 1 1 A 10 10 GLU CB C 10 31.380 31.260 0.120 1 1 104 . 5 1 1 A 10 10 GLU N N 10 119.640 123.888 -4.248 1 1 105 . 5 1 1 A 11 11 TYR H H 11 8.767 9.010 -0.243 1 1 106 . 5 1 1 A 11 11 TYR HA H 11 4.555 5.211 -0.656 1 1 113 . 5 1 1 A 11 11 TYR C C 11 173.480 174.319 -0.839 1 1 114 . 5 1 1 A 11 11 TYR CA C 11 56.360 56.241 0.119 1 1 115 . 5 1 1 A 11 11 TYR CB C 11 43.860 41.755 2.105 1 1 120 . 5 1 1 A 11 11 TYR N N 11 120.960 122.571 -1.611 1 1 121 . 5 1 1 A 12 12 TYR H H 12 9.290 9.096 0.194 1 1 122 . 5 1 1 A 12 12 TYR HA H 12 5.730 5.358 0.372 1 1 129 . 5 1 1 A 12 12 TYR C C 12 175.700 176.040 -0.340 1 1 130 . 5 1 1 A 12 12 TYR CA C 12 56.680 57.498 -0.818 1 1 131 . 5 1 1 A 12 12 TYR CB C 12 42.180 38.137 4.043 1 1 136 . 5 1 1 A 12 12 TYR N N 12 118.880 123.695 -4.815 1 1 137 . 5 1 1 A 13 13 VAL H H 13 8.670 8.981 -0.311 1 1 138 . 5 1 1 A 13 13 VAL HA H 13 5.050 5.184 -0.134 1 1 146 . 5 1 1 A 13 13 VAL C C 13 174.820 175.149 -0.329 1 1 147 . 5 1 1 A 13 13 VAL CA C 13 58.130 59.516 -1.386 1 1 148 . 5 1 1 A 13 13 VAL CB C 13 35.890 35.183 0.707 1 1 151 . 5 1 1 A 13 13 VAL N N 13 112.280 118.400 -6.120 1 1 152 . 5 1 1 A 14 14 GLN H H 14 8.760 8.472 0.288 1 1 153 . 5 1 1 A 14 14 GLN HA H 14 5.090 4.787 0.303 1 1 160 . 5 1 1 A 14 14 GLN C C 14 175.000 175.875 -0.875 1 1 161 . 5 1 1 A 14 14 GLN CA C 14 53.520 54.892 -1.372 1 1 162 . 5 1 1 A 14 14 GLN CB C 14 31.250 29.213 2.037 1 1 164 . 5 1 1 A 14 14 GLN N N 14 120.910 122.324 -1.414 1 1 166 . 5 1 1 A 15 15 ILE H H 15 8.843 8.386 0.457 1 1 167 . 5 1 1 A 15 15 ILE HA H 15 3.900 4.110 -0.210 1 1 177 . 5 1 1 A 15 15 ILE C C 15 177.090 177.280 -0.190 1 1 178 . 5 1 1 A 15 15 ILE CA C 15 59.269 61.909 -2.640 1 1 179 . 5 1 1 A 15 15 ILE CB C 15 34.050 37.437 -3.387 1 1 183 . 5 1 1 A 15 15 ILE N N 15 125.520 123.842 1.678 1 1 184 . 5 1 1 A 16 16 THR H H 16 7.996 8.965 -0.969 1 1 185 . 5 1 1 A 16 16 THR HA H 16 4.540 4.340 0.200 1 1 190 . 5 1 1 A 16 16 THR C C 16 173.650 174.990 -1.340 1 1 191 . 5 1 1 A 16 16 THR CA C 16 61.180 63.220 -2.040 1 1 192 . 5 1 1 A 16 16 THR CB C 16 69.300 68.677 0.623 1 1 194 . 5 1 1 A 16 16 THR N N 16 118.080 119.599 -1.519 1 1 195 . 5 1 1 A 17 17 VAL H H 17 7.240 7.698 -0.458 1 1 196 . 5 1 1 A 17 17 VAL HA H 17 4.659 4.870 -0.211 1 1 204 . 5 1 1 A 17 17 VAL C C 17 175.135 174.328 0.807 1 1 205 . 5 1 1 A 17 17 VAL CA C 17 58.870 58.962 -0.092 1 1 206 . 5 1 1 A 17 17 VAL CB C 17 36.070 34.676 1.394 1 1 209 . 5 1 1 A 17 17 VAL N N 17 113.230 118.758 -5.528 1 1 210 . 5 1 1 A 18 18 ASP H H 18 8.280 8.518 -0.238 1 1 211 . 5 1 1 A 18 18 ASP HA H 18 5.010 4.921 0.089 1 1 214 . 5 1 1 A 18 18 ASP C C 18 177.350 175.347 2.003 1 1 215 . 5 1 1 A 18 18 ASP CA C 18 54.765 51.897 2.868 1 1 216 . 5 1 1 A 18 18 ASP CB C 18 42.120 44.309 -2.189 1 1 217 . 5 1 1 A 18 18 ASP N N 18 120.730 122.069 -1.339 1 1 218 . 5 1 1 A 19 19 GLY H H 19 8.951 8.223 0.728 1 1 219 . 5 1 1 A 19 19 GLY HA2 H 19 2.920 2.915 0.005 1 1 220 . 5 1 1 A 19 19 GLY HA3 H 19 2.978 3.577 -0.599 1 1 221 . 5 1 1 A 19 19 GLY C C 19 172.450 173.873 -1.423 1 1 222 . 5 1 1 A 19 19 GLY CA C 19 45.370 45.158 0.212 1 1 223 . 5 1 1 A 19 19 GLY N N 19 110.580 109.667 0.913 1 1 224 . 5 1 1 A 20 20 LYS H H 20 8.110 7.682 0.428 1 1 225 . 5 1 1 A 20 20 LYS HA H 20 4.374 4.465 -0.091 1 1 234 . 5 1 1 A 20 20 LYS C C 20 175.710 175.440 0.270 1 1 235 . 5 1 1 A 20 20 LYS CA C 20 54.800 55.164 -0.364 1 1 236 . 5 1 1 A 20 20 LYS CB C 20 33.240 32.114 1.126 1 1 240 . 5 1 1 A 20 20 LYS N N 20 124.290 122.001 2.289 1 1 241 . 5 1 1 A 21 21 GLU H H 21 8.710 8.290 0.420 1 1 242 . 5 1 1 A 21 21 GLU HA H 21 3.930 4.550 -0.620 1 1 247 . 5 1 1 A 21 21 GLU C C 21 175.960 176.435 -0.475 1 1 248 . 5 1 1 A 21 21 GLU CA C 21 56.940 56.968 -0.028 1 1 249 . 5 1 1 A 21 21 GLU CB C 21 30.439 30.035 0.404 1 1 251 . 5 1 1 A 21 21 GLU N N 21 128.720 125.857 2.863 1 1 252 . 5 1 1 A 22 22 VAL H H 22 8.621 8.987 -0.366 1 1 253 . 5 1 1 A 22 22 VAL HA H 22 4.160 4.238 -0.078 1 1 261 . 5 1 1 A 22 22 VAL C C 22 175.210 175.240 -0.030 1 1 262 . 5 1 1 A 22 22 VAL CA C 22 61.027 61.567 -0.540 1 1 263 . 5 1 1 A 22 22 VAL CB C 22 34.501 30.914 3.587 1 1 266 . 5 1 1 A 22 22 VAL N N 22 125.340 120.928 4.412 1 1 267 . 5 1 1 A 23 23 HIS H H 23 8.607 8.254 0.353 1 1 268 . 5 1 1 A 23 23 HIS HA H 23 4.820 4.807 0.013 1 1 273 . 5 1 1 A 23 23 HIS C C 23 175.040 175.242 -0.202 1 1 274 . 5 1 1 A 23 23 HIS CA C 23 55.498 55.429 0.069 1 1 275 . 5 1 1 A 23 23 HIS CB C 23 30.660 28.454 2.206 1 1 278 . 5 1 1 A 23 23 HIS N N 23 124.000 123.722 0.278 1 1 279 . 5 1 1 A 24 24 SER H H 24 8.480 8.040 0.440 1 1 280 . 5 1 1 A 24 24 SER HA H 24 4.480 4.072 0.408 1 1 283 . 5 1 1 A 24 24 SER C C 24 173.860 174.159 -0.299 1 1 284 . 5 1 1 A 24 24 SER CA C 24 57.690 61.578 -3.888 1 1 285 . 5 1 1 A 24 24 SER CB C 24 64.580 63.467 1.113 1 1 286 . 5 1 1 A 24 24 SER N N 24 118.250 117.500 0.750 1 1 287 . 5 1 1 A 25 25 LYS H H 25 8.517 7.354 1.163 1 1 288 . 5 1 1 A 25 25 LYS HA H 25 4.561 4.528 0.033 1 1 297 . 5 1 1 A 25 25 LYS C C 25 176.160 175.081 1.079 1 1 298 . 5 1 1 A 25 25 LYS CA C 25 56.255 55.220 1.035 1 1 299 . 5 1 1 A 25 25 LYS CB C 25 33.714 33.555 0.159 1 1 303 . 5 1 1 A 25 25 LYS N N 25 122.750 114.666 8.084 1 1 304 . 5 1 1 A 26 26 ALA H H 26 8.468 8.685 -0.217 1 1 305 . 5 1 1 A 26 26 ALA HA H 26 4.470 4.564 -0.094 1 1 309 . 5 1 1 A 26 26 ALA C C 26 177.950 177.345 0.605 1 1 310 . 5 1 1 A 26 26 ALA CA C 26 51.912 52.240 -0.328 1 1 311 . 5 1 1 A 26 26 ALA CB C 26 20.050 19.133 0.917 1 1 312 . 5 1 1 A 26 26 ALA N N 26 125.370 125.682 -0.312 1 1 313 . 5 1 1 A 27 27 ASP H H 27 8.509 7.811 0.698 1 1 314 . 5 1 1 A 27 27 ASP HA H 27 4.460 4.516 -0.056 1 1 317 . 5 1 1 A 27 27 ASP C C 27 176.480 176.146 0.334 1 1 318 . 5 1 1 A 27 27 ASP CA C 27 55.490 54.053 1.437 1 1 319 . 5 1 1 A 27 27 ASP CB C 27 40.771 39.096 1.675 1 1 320 . 5 1 1 A 27 27 ASP N N 27 120.380 119.870 0.510 1 1 321 . 5 1 1 A 28 28 ASN H H 28 8.193 8.426 -0.233 1 1 322 . 5 1 1 A 28 28 ASN HA H 28 4.620 4.981 -0.361 1 1 327 . 5 1 1 A 28 28 ASN C C 28 176.310 175.796 0.514 1 1 328 . 5 1 1 A 28 28 ASN CA C 28 53.050 54.661 -1.611 1 1 329 . 5 1 1 A 28 28 ASN CB C 28 38.080 41.218 -3.138 1 1 330 . 5 1 1 A 28 28 ASN N N 28 117.470 123.112 -5.642 1 1 332 . 5 1 1 A 29 29 GLY H H 29 8.359 7.526 0.833 1 1 333 . 5 1 1 A 29 29 GLY HA2 H 29 4.110 4.056 0.054 1 1 334 . 5 1 1 A 29 29 GLY HA3 H 29 3.720 4.059 -0.339 1 1 335 . 5 1 1 A 29 29 GLY C C 29 174.365 174.540 -0.175 1 1 336 . 5 1 1 A 29 29 GLY CA C 29 45.688 45.496 0.192 1 1 337 . 5 1 1 A 29 29 GLY N N 29 108.230 106.918 1.312 1 1 338 . 5 1 1 A 30 30 GLN H H 30 7.920 7.844 0.076 1 1 339 . 5 1 1 A 30 30 GLN HA H 30 4.200 4.453 -0.253 1 1 346 . 5 1 1 A 30 30 GLN C C 30 174.330 175.467 -1.137 1 1 347 . 5 1 1 A 30 30 GLN CA C 30 56.210 55.252 0.958 1 1 348 . 5 1 1 A 30 30 GLN CB C 30 29.320 30.161 -0.841 1 1 350 . 5 1 1 A 30 30 GLN N N 30 119.670 119.226 0.444 1 1 352 . 5 1 1 A 31 31 LYS H H 31 8.390 8.416 -0.026 1 1 353 . 5 1 1 A 31 31 LYS HA H 31 4.490 4.594 -0.104 1 1 362 . 5 1 1 A 31 31 LYS C C 31 176.052 175.891 0.161 1 1 363 . 5 1 1 A 31 31 LYS CA C 31 56.417 55.713 0.704 1 1 364 . 5 1 1 A 31 31 LYS CB C 31 33.414 33.399 0.015 1 1 368 . 5 1 1 A 31 31 LYS N N 31 121.950 122.783 -0.833 1 1 369 . 5 1 1 A 32 32 TYR H H 32 8.160 9.189 -1.029 1 1 370 . 5 1 1 A 32 32 TYR HA H 32 4.770 5.067 -0.297 1 1 377 . 5 1 1 A 32 32 TYR C C 32 175.560 175.135 0.425 1 1 378 . 5 1 1 A 32 32 TYR CA C 32 56.300 56.786 -0.486 1 1 379 . 5 1 1 A 32 32 TYR CB C 32 40.074 39.200 0.874 1 1 384 . 5 1 1 A 32 32 TYR N N 32 119.960 123.479 -3.519 1 1 385 . 5 1 1 A 33 33 LYS H H 33 8.397 8.661 -0.264 1 1 386 . 5 1 1 A 33 33 LYS HA H 33 4.610 4.853 -0.243 1 1 395 . 5 1 1 A 33 33 LYS C C 33 174.080 174.633 -0.553 1 1 396 . 5 1 1 A 33 33 LYS CA C 33 55.512 55.166 0.346 1 1 397 . 5 1 1 A 33 33 LYS CB C 33 34.570 33.416 1.154 1 1 401 . 5 1 1 A 33 33 LYS N N 33 122.080 124.409 -2.329 1 1 402 . 5 1 1 A 34 34 ASP H H 34 8.140 8.814 -0.674 1 1 403 . 5 1 1 A 34 34 ASP HA H 34 5.040 4.929 0.111 1 1 406 . 5 1 1 A 34 34 ASP C C 34 173.740 175.177 -1.437 1 1 407 . 5 1 1 A 34 34 ASP CA C 34 53.104 52.614 0.490 1 1 408 . 5 1 1 A 34 34 ASP CB C 34 44.290 44.199 0.091 1 1 409 . 5 1 1 A 34 34 ASP N N 34 121.430 124.537 -3.107 1 1 410 . 5 1 1 A 35 35 TYR H H 35 8.849 8.895 -0.046 1 1 411 . 5 1 1 A 35 35 TYR HA H 35 4.660 4.947 -0.287 1 1 418 . 5 1 1 A 35 35 TYR C C 35 174.450 175.496 -1.046 1 1 419 . 5 1 1 A 35 35 TYR CA C 35 57.177 58.834 -1.657 1 1 420 . 5 1 1 A 35 35 TYR CB C 35 40.955 39.318 1.637 1 1 425 . 5 1 1 A 35 35 TYR N N 35 116.670 121.123 -4.453 1 1 426 . 5 1 1 A 36 36 GLU H H 36 9.144 9.215 -0.071 1 1 427 . 5 1 1 A 36 36 GLU HA H 36 4.615 4.522 0.093 1 1 432 . 5 1 1 A 36 36 GLU C C 36 175.850 174.558 1.292 1 1 433 . 5 1 1 A 36 36 GLU CA C 36 55.700 55.669 0.031 1 1 434 . 5 1 1 A 36 36 GLU CB C 36 32.541 30.968 1.573 1 1 436 . 5 1 1 A 36 36 GLU N N 36 122.490 125.157 -2.667 1 1 437 . 5 1 1 A 37 37 TYR H H 37 8.598 8.567 0.031 1 1 438 . 5 1 1 A 37 37 TYR HA H 37 4.090 4.896 -0.806 1 1 445 . 5 1 1 A 37 37 TYR C C 37 174.140 173.706 0.434 1 1 446 . 5 1 1 A 37 37 TYR CA C 37 58.399 56.160 2.239 1 1 447 . 5 1 1 A 37 37 TYR CB C 37 41.690 39.450 2.240 1 1 452 . 5 1 1 A 37 37 TYR N N 37 122.480 126.345 -3.865 1 1 453 . 5 1 1 A 38 38 LYS H H 38 8.410 8.946 -0.536 1 1 454 . 5 1 1 A 38 38 LYS HA H 38 5.080 5.090 -0.010 1 1 463 . 5 1 1 A 38 38 LYS C C 38 174.980 175.224 -0.244 1 1 464 . 5 1 1 A 38 38 LYS CA C 38 56.133 54.945 1.188 1 1 465 . 5 1 1 A 38 38 LYS CB C 38 33.525 34.799 -1.274 1 1 469 . 5 1 1 A 38 38 LYS N N 38 124.250 125.867 -1.617 1 1 470 . 5 1 1 A 39 39 LEU H H 39 8.555 8.895 -0.340 1 1 471 . 5 1 1 A 39 39 LEU HA H 39 4.865 5.057 -0.192 1 1 480 . 5 1 1 A 39 39 LEU C C 39 175.120 174.702 0.418 1 1 481 . 5 1 1 A 39 39 LEU CA C 39 53.316 53.347 -0.031 1 1 482 . 5 1 1 A 39 39 LEU CB C 39 47.338 46.156 1.182 1 1 485 . 5 1 1 A 39 39 LEU N N 39 124.840 122.481 2.359 1 1 486 . 5 1 1 A 40 40 THR H H 40 8.615 8.635 -0.020 1 1 487 . 5 1 1 A 40 40 THR HA H 40 4.410 5.200 -0.790 1 1 492 . 5 1 1 A 40 40 THR C C 40 173.360 174.170 -0.810 1 1 493 . 5 1 1 A 40 40 THR CA C 40 63.200 60.568 2.632 1 1 494 . 5 1 1 A 40 40 THR CB C 40 69.100 70.307 -1.207 1 1 496 . 5 1 1 A 40 40 THR N N 40 118.390 116.235 2.155 1 1 497 . 5 1 1 A 41 41 GLY H H 41 8.545 9.103 -0.558 1 1 498 . 5 1 1 A 41 41 GLY HA2 H 41 3.030 4.253 -1.223 1 1 499 . 5 1 1 A 41 41 GLY HA3 H 41 4.910 4.304 0.606 1 1 500 . 5 1 1 A 41 41 GLY C C 41 171.375 172.300 -0.925 1 1 501 . 5 1 1 A 41 41 GLY CA C 41 43.963 44.623 -0.660 1 1 502 . 5 1 1 A 41 41 GLY N N 41 113.500 114.892 -1.392 1 1 503 . 5 1 1 A 42 42 PHE H H 42 8.650 9.246 -0.596 1 1 504 . 5 1 1 A 42 42 PHE HA H 42 5.910 5.468 0.442 1 1 512 . 5 1 1 A 42 42 PHE C C 42 176.670 174.660 2.010 1 1 513 . 5 1 1 A 42 42 PHE CA C 42 56.260 57.030 -0.770 1 1 514 . 5 1 1 A 42 42 PHE CB C 42 44.750 39.995 4.755 1 1 520 . 5 1 1 A 42 42 PHE N N 42 113.300 124.645 -11.345 1 1 521 . 5 1 1 A 43 43 ASP H H 43 9.040 8.991 0.049 1 1 522 . 5 1 1 A 43 43 ASP HA H 43 5.100 4.861 0.239 1 1 525 . 5 1 1 A 43 43 ASP C C 43 177.790 174.984 2.806 1 1 526 . 5 1 1 A 43 43 ASP CA C 43 51.990 53.219 -1.229 1 1 527 . 5 1 1 A 43 43 ASP CB C 43 41.660 44.151 -2.491 1 1 528 . 5 1 1 A 43 43 ASP N N 43 123.450 123.056 0.394 1 1 529 . 5 1 1 A 44 44 LYS H H 44 8.689 9.235 -0.546 1 1 530 . 5 1 1 A 44 44 LYS HA H 44 3.920 3.901 0.019 1 1 539 . 5 1 1 A 44 44 LYS C C 44 175.450 175.093 0.357 1 1 540 . 5 1 1 A 44 44 LYS CA C 44 58.730 57.275 1.455 1 1 541 . 5 1 1 A 44 44 LYS CB C 44 31.707 31.405 0.302 1 1 545 . 5 1 1 A 44 44 LYS N N 44 113.360 123.976 -10.616 1 1 546 . 5 1 1 A 45 45 ASP H H 45 8.178 8.656 -0.478 1 1 547 . 5 1 1 A 45 45 ASP HA H 45 4.930 4.351 0.579 1 1 550 . 5 1 1 A 45 45 ASP C C 45 176.710 176.234 0.476 1 1 551 . 5 1 1 A 45 45 ASP CA C 45 54.501 55.309 -0.808 1 1 552 . 5 1 1 A 45 45 ASP CB C 45 42.260 39.203 3.057 1 1 553 . 5 1 1 A 45 45 ASP N N 45 119.050 114.676 4.374 1 1 554 . 5 1 1 A 46 46 GLY H H 46 8.853 8.421 0.432 1 1 555 . 5 1 1 A 46 46 GLY HA2 H 46 4.120 4.014 0.106 1 1 556 . 5 1 1 A 46 46 GLY HA3 H 46 3.350 4.053 -0.703 1 1 557 . 5 1 1 A 46 46 GLY C C 46 173.020 174.903 -1.883 1 1 558 . 5 1 1 A 46 46 GLY CA C 46 45.510 45.453 0.057 1 1 559 . 5 1 1 A 46 46 GLY N N 46 110.250 105.320 4.930 1 1 560 . 5 1 1 A 47 47 LYS H H 47 8.640 7.562 1.078 1 1 561 . 5 1 1 A 47 47 LYS HA H 47 4.320 4.306 0.014 1 1 570 . 5 1 1 A 47 47 LYS C C 47 176.180 175.892 0.288 1 1 571 . 5 1 1 A 47 47 LYS CA C 47 57.200 56.436 0.764 1 1 572 . 5 1 1 A 47 47 LYS CB C 47 32.300 33.157 -0.857 1 1 576 . 5 1 1 A 47 47 LYS N N 47 123.450 120.238 3.212 1 1 577 . 5 1 1 A 48 48 GLU H H 48 8.510 8.609 -0.099 1 1 578 . 5 1 1 A 48 48 GLU HA H 48 4.914 4.684 0.230 1 1 583 . 5 1 1 A 48 48 GLU C C 48 176.545 174.479 2.066 1 1 584 . 5 1 1 A 48 48 GLU CA C 48 55.540 55.435 0.105 1 1 585 . 5 1 1 A 48 48 GLU CB C 48 32.850 30.398 2.452 1 1 587 . 5 1 1 A 48 48 GLU N N 48 123.300 124.027 -0.727 1 1 588 . 5 1 1 A 49 49 LYS H H 49 8.304 8.600 -0.296 1 1 589 . 5 1 1 A 49 49 LYS HA H 49 4.080 4.782 -0.702 1 1 598 . 5 1 1 A 49 49 LYS C C 49 173.870 175.330 -1.460 1 1 599 . 5 1 1 A 49 49 LYS CA C 49 54.797 54.530 0.267 1 1 600 . 5 1 1 A 49 49 LYS CB C 49 36.248 34.433 1.815 1 1 604 . 5 1 1 A 49 49 LYS N N 49 123.450 126.703 -3.253 1 1 605 . 5 1 1 A 50 50 GLU H H 50 8.377 8.534 -0.157 1 1 606 . 5 1 1 A 50 50 GLU HA H 50 4.298 4.602 -0.304 1 1 611 . 5 1 1 A 50 50 GLU C C 50 175.090 175.625 -0.535 1 1 612 . 5 1 1 A 50 50 GLU CA C 50 56.950 55.572 1.378 1 1 613 . 5 1 1 A 50 50 GLU CB C 50 29.872 29.507 0.365 1 1 615 . 5 1 1 A 50 50 GLU N N 50 127.100 124.660 2.440 1 1 616 . 5 1 1 A 51 51 LEU H H 51 8.934 8.929 0.005 1 1 617 . 5 1 1 A 51 51 LEU HA H 51 4.517 4.771 -0.254 1 1 627 . 5 1 1 A 51 51 LEU C C 51 174.890 176.191 -1.301 1 1 628 . 5 1 1 A 51 51 LEU CA C 51 53.817 53.982 -0.165 1 1 629 . 5 1 1 A 51 51 LEU CB C 51 45.254 43.140 2.114 1 1 633 . 5 1 1 A 51 51 LEU N N 51 127.790 126.594 1.196 1 1 634 . 5 1 1 A 52 52 GLU H H 52 8.360 8.819 -0.459 1 1 635 . 5 1 1 A 52 52 GLU HA H 52 5.417 5.632 -0.215 1 1 640 . 5 1 1 A 52 52 GLU C C 52 174.890 175.073 -0.183 1 1 641 . 5 1 1 A 52 52 GLU CA C 52 54.519 54.950 -0.431 1 1 642 . 5 1 1 A 52 52 GLU CB C 52 32.500 33.499 -0.999 1 1 644 . 5 1 1 A 52 52 GLU N N 52 121.180 122.865 -1.685 1 1 645 . 5 1 1 A 53 53 PHE H H 53 8.465 8.653 -0.188 1 1 646 . 5 1 1 A 53 53 PHE HA H 53 5.130 5.299 -0.169 1 1 654 . 5 1 1 A 53 53 PHE C C 53 172.660 173.214 -0.554 1 1 655 . 5 1 1 A 53 53 PHE CA C 53 56.508 56.094 0.414 1 1 656 . 5 1 1 A 53 53 PHE CB C 53 40.095 41.984 -1.889 1 1 662 . 5 1 1 A 53 53 PHE N N 53 118.940 121.066 -2.126 1 1 663 . 5 1 1 A 54 54 THR H H 54 8.622 9.090 -0.468 1 1 664 . 5 1 1 A 54 54 THR HA H 54 5.530 5.653 -0.123 1 1 669 . 5 1 1 A 54 54 THR C C 54 173.470 174.151 -0.681 1 1 670 . 5 1 1 A 54 54 THR CA C 54 60.148 60.464 -0.316 1 1 671 . 5 1 1 A 54 54 THR CB C 54 71.820 70.164 1.656 1 1 673 . 5 1 1 A 54 54 THR N N 54 112.280 113.436 -1.156 1 1 674 . 5 1 1 A 55 55 ALA H H 55 9.710 8.635 1.075 1 1 675 . 5 1 1 A 55 55 ALA HA H 55 5.354 5.083 0.271 1 1 679 . 5 1 1 A 55 55 ALA C C 55 176.720 178.758 -2.038 1 1 680 . 5 1 1 A 55 55 ALA CA C 55 50.568 50.687 -0.119 1 1 681 . 5 1 1 A 55 55 ALA CB C 55 24.180 21.500 2.680 1 1 682 . 5 1 1 A 55 55 ALA N N 55 126.340 127.379 -1.039 1 1 683 . 5 1 1 A 56 56 GLN H H 56 9.130 8.937 0.193 1 1 684 . 5 1 1 A 56 56 GLN HA H 56 5.030 4.208 0.822 1 1 691 . 5 1 1 A 56 56 GLN C C 56 174.960 175.533 -0.573 1 1 692 . 5 1 1 A 56 56 GLN CA C 56 56.820 57.729 -0.909 1 1 693 . 5 1 1 A 56 56 GLN CB C 56 29.180 28.264 0.916 1 1 695 . 5 1 1 A 56 56 GLN N N 56 118.540 119.783 -1.243 1 1 697 . 5 1 1 A 57 57 LYS H H 57 7.656 7.831 -0.175 1 1 698 . 5 1 1 A 57 57 LYS HA H 57 4.360 5.085 -0.725 1 1 707 . 5 1 1 A 57 57 LYS C C 57 172.490 174.855 -2.365 1 1 708 . 5 1 1 A 57 57 LYS CA C 57 54.351 55.060 -0.709 1 1 709 . 5 1 1 A 57 57 LYS CB C 57 35.360 35.916 -0.556 1 1 713 . 5 1 1 A 57 57 LYS N N 57 116.270 119.849 -3.579 1 1 714 . 5 1 1 A 58 58 ASN H H 58 7.709 8.829 -1.120 1 1 715 . 5 1 1 A 58 58 ASN HA H 58 4.000 4.947 -0.947 1 1 720 . 5 1 1 A 58 58 ASN C C 58 175.490 175.623 -0.133 1 1 721 . 5 1 1 A 58 58 ASN CA C 58 53.498 53.975 -0.477 1 1 722 . 5 1 1 A 58 58 ASN CB C 58 38.538 38.386 0.152 1 1 723 . 5 1 1 A 58 58 ASN N N 58 117.960 122.243 -4.283 1 1 725 . 5 1 1 A 59 59 LEU H H 59 7.940 9.029 -1.089 1 1 726 . 5 1 1 A 59 59 LEU HA H 59 3.950 4.596 -0.646 1 1 736 . 5 1 1 A 59 59 LEU C C 59 176.410 177.072 -0.662 1 1 737 . 5 1 1 A 59 59 LEU CA C 59 54.550 53.997 0.553 1 1 738 . 5 1 1 A 59 59 LEU CB C 59 42.370 42.309 0.061 1 1 742 . 5 1 1 A 59 59 LEU N N 59 128.190 125.161 3.029 1 1 743 . 5 1 1 A 60 60 ARG H H 60 8.355 8.454 -0.099 1 1 744 . 5 1 1 A 60 60 ARG HA H 60 3.870 4.588 -0.718 1 1 752 . 5 1 1 A 60 60 ARG C C 60 175.350 176.276 -0.926 1 1 753 . 5 1 1 A 60 60 ARG CA C 60 56.695 55.563 1.132 1 1 754 . 5 1 1 A 60 60 ARG CB C 60 31.290 31.381 -0.091 1 1 757 . 5 1 1 A 60 60 ARG N N 60 123.759 120.920 2.839 1 1 759 . 5 1 1 A 61 61 LYS H H 61 8.178 8.483 -0.305 1 1 760 . 5 1 1 A 61 61 LYS HA H 61 3.680 4.555 -0.875 1 1 769 . 5 1 1 A 61 61 LYS C C 61 177.290 176.510 0.780 1 1 770 . 5 1 1 A 61 61 LYS CA C 61 58.733 54.809 3.924 1 1 771 . 5 1 1 A 61 61 LYS CB C 61 31.564 33.736 -2.172 1 1 775 . 5 1 1 A 61 61 LYS N N 61 125.600 121.501 4.099 1 1 776 . 5 1 1 A 62 62 GLU H H 62 8.949 8.658 0.291 1 1 777 . 5 1 1 A 62 62 GLU HA H 62 3.340 4.145 -0.805 1 1 782 . 5 1 1 A 62 62 GLU C C 62 176.170 175.579 0.591 1 1 783 . 5 1 1 A 62 62 GLU CA C 62 59.156 58.316 0.840 1 1 784 . 5 1 1 A 62 62 GLU CB C 62 28.040 29.412 -1.372 1 1 786 . 5 1 1 A 62 62 GLU N N 62 112.860 119.007 -6.147 1 1 787 . 5 1 1 A 63 63 ALA H H 63 7.604 8.040 -0.436 1 1 788 . 5 1 1 A 63 63 ALA HA H 63 4.020 4.493 -0.473 1 1 792 . 5 1 1 A 63 63 ALA C C 63 175.530 176.752 -1.222 1 1 793 . 5 1 1 A 63 63 ALA CA C 63 53.074 52.415 0.659 1 1 794 . 5 1 1 A 63 63 ALA CB C 63 19.323 20.250 -0.927 1 1 795 . 5 1 1 A 63 63 ALA N N 63 122.700 123.941 -1.241 1 1 796 . 5 1 1 A 64 64 PHE H H 64 8.876 8.745 0.131 1 1 797 . 5 1 1 A 64 64 PHE HA H 64 5.470 5.446 0.024 1 1 802 . 5 1 1 A 64 64 PHE C C 64 175.480 175.671 -0.191 1 1 803 . 5 1 1 A 64 64 PHE CA C 64 56.780 56.702 0.078 1 1 804 . 5 1 1 A 64 64 PHE CB C 64 41.566 41.637 -0.071 1 1 807 . 5 1 1 A 64 64 PHE N N 64 118.670 118.620 0.050 1 1 808 . 5 1 1 A 65 65 LEU H H 65 8.870 9.187 -0.317 1 1 809 . 5 1 1 A 65 65 LEU HA H 65 5.390 5.336 0.054 1 1 819 . 5 1 1 A 65 65 LEU C C 65 176.030 175.636 0.394 1 1 820 . 5 1 1 A 65 65 LEU CA C 65 52.926 53.581 -0.655 1 1 821 . 5 1 1 A 65 65 LEU CB C 65 45.561 45.566 -0.005 1 1 825 . 5 1 1 A 65 65 LEU N N 65 118.700 120.741 -2.041 1 1 826 . 5 1 1 A 66 66 ARG H H 66 9.031 8.700 0.331 1 1 827 . 5 1 1 A 66 66 ARG HA H 66 4.345 4.546 -0.201 1 1 835 . 5 1 1 A 66 66 ARG C C 66 174.220 175.264 -1.044 1 1 836 . 5 1 1 A 66 66 ARG CA C 66 54.957 55.901 -0.944 1 1 837 . 5 1 1 A 66 66 ARG CB C 66 32.885 30.633 2.252 1 1 840 . 5 1 1 A 66 66 ARG N N 66 121.590 123.797 -2.207 1 1 842 . 5 1 1 A 67 67 VAL H H 67 9.359 8.461 0.898 1 1 843 . 5 1 1 A 67 67 VAL HA H 67 4.400 4.585 -0.185 1 1 851 . 5 1 1 A 67 67 VAL C C 67 174.070 174.496 -0.426 1 1 852 . 5 1 1 A 67 67 VAL CA C 67 60.910 61.532 -0.622 1 1 853 . 5 1 1 A 67 67 VAL CB C 67 33.960 32.719 1.241 1 1 856 . 5 1 1 A 67 67 VAL N N 67 126.230 124.109 2.121 1 1 857 . 5 1 1 A 68 68 TYR H H 68 8.710 9.178 -0.468 1 1 858 . 5 1 1 A 68 68 TYR HA H 68 5.070 4.736 0.334 1 1 865 . 5 1 1 A 68 68 TYR C C 68 175.390 174.595 0.795 1 1 866 . 5 1 1 A 68 68 TYR CA C 68 57.290 56.854 0.436 1 1 867 . 5 1 1 A 68 68 TYR CB C 68 38.690 38.328 0.362 1 1 872 . 5 1 1 A 68 68 TYR N N 68 125.200 127.285 -2.085 1 1 873 . 5 1 1 A 69 69 HIS H H 69 9.224 9.039 0.185 1 1 874 . 5 1 1 A 69 69 HIS HA H 69 5.200 5.102 0.098 1 1 879 . 5 1 1 A 69 69 HIS C C 69 173.600 173.462 0.138 1 1 880 . 5 1 1 A 69 69 HIS CA C 69 56.502 55.288 1.214 1 1 881 . 5 1 1 A 69 69 HIS CB C 69 35.873 29.816 6.057 1 1 884 . 5 1 1 A 69 69 HIS N N 69 124.780 129.046 -4.266 1 1 885 . 5 1 1 A 70 70 SER H H 70 7.425 8.276 -0.851 1 1 886 . 5 1 1 A 70 70 SER HA H 70 4.800 4.557 0.243 1 1 889 . 5 1 1 A 70 70 SER C C 70 173.790 174.248 -0.458 1 1 890 . 5 1 1 A 70 70 SER CA C 70 56.840 55.744 1.096 1 1 891 . 5 1 1 A 70 70 SER CB C 70 66.500 64.804 1.696 1 1 892 . 5 1 1 A 70 70 SER N N 70 118.910 122.934 -4.024 1 1 893 . 5 1 1 A 71 71 ASP H H 71 9.020 9.029 -0.009 1 1 894 . 5 1 1 A 71 71 ASP HA H 71 4.390 4.234 0.156 1 1 897 . 5 1 1 A 71 71 ASP C C 71 178.030 178.107 -0.077 1 1 898 . 5 1 1 A 71 71 ASP CA C 71 57.220 56.557 0.663 1 1 899 . 5 1 1 A 71 71 ASP CB C 71 40.622 40.394 0.228 1 1 900 . 5 1 1 A 71 71 ASP N N 71 123.340 127.675 -4.335 1 1 901 . 5 1 1 A 72 72 LYS H H 72 8.220 7.403 0.817 1 1 902 . 5 1 1 A 72 72 LYS HA H 72 4.123 4.029 0.094 1 1 911 . 5 1 1 A 72 72 LYS C C 72 177.560 177.434 0.126 1 1 912 . 5 1 1 A 72 72 LYS CA C 72 58.383 59.578 -1.195 1 1 913 . 5 1 1 A 72 72 LYS CB C 72 32.778 32.090 0.688 1 1 917 . 5 1 1 A 72 72 LYS N N 72 116.640 119.917 -3.277 1 1 918 . 5 1 1 A 73 73 LYS H H 73 7.367 8.027 -0.660 1 1 919 . 5 1 1 A 73 73 LYS HA H 73 4.449 4.567 -0.118 1 1 928 . 5 1 1 A 73 73 LYS C C 73 176.750 176.757 -0.007 1 1 929 . 5 1 1 A 73 73 LYS CA C 73 55.614 55.223 0.391 1 1 930 . 5 1 1 A 73 73 LYS CB C 73 33.910 33.843 0.067 1 1 934 . 5 1 1 A 73 73 LYS N N 73 115.780 117.204 -1.424 1 1 935 . 5 1 1 A 74 74 GLY H H 74 8.240 8.563 -0.323 1 1 936 . 5 1 1 A 74 74 GLY HA2 H 74 3.630 3.999 -0.369 1 1 937 . 5 1 1 A 74 74 GLY HA3 H 74 4.240 4.003 0.237 1 1 938 . 5 1 1 A 74 74 GLY C C 74 174.817 173.537 1.280 1 1 939 . 5 1 1 A 74 74 GLY CA C 74 45.075 46.224 -1.149 1 1 940 . 5 1 1 A 74 74 GLY N N 74 110.370 108.654 1.716 1 1 941 . 5 1 1 A 75 75 VAL H H 75 9.140 8.018 1.122 1 1 942 . 5 1 1 A 75 75 VAL HA H 75 4.640 4.626 0.014 1 1 950 . 5 1 1 A 75 75 VAL C C 75 177.000 175.076 1.924 1 1 951 . 5 1 1 A 75 75 VAL CA C 75 63.550 61.595 1.955 1 1 952 . 5 1 1 A 75 75 VAL CB C 75 32.237 33.449 -1.212 1 1 955 . 5 1 1 A 75 75 VAL N N 75 124.300 120.936 3.364 1 1 956 . 5 1 1 A 76 76 SER H H 76 9.020 8.659 0.361 1 1 957 . 5 1 1 A 76 76 SER HA H 76 4.640 4.736 -0.096 1 1 960 . 5 1 1 A 76 76 SER C C 76 174.250 173.645 0.605 1 1 961 . 5 1 1 A 76 76 SER CA C 76 58.440 58.881 -0.441 1 1 962 . 5 1 1 A 76 76 SER CB C 76 64.550 64.299 0.251 1 1 963 . 5 1 1 A 76 76 SER N N 76 122.490 121.822 0.668 1 1 964 . 5 1 1 A 77 77 ALA H H 77 7.890 7.742 0.148 1 1 965 . 5 1 1 A 77 77 ALA HA H 77 4.420 4.543 -0.123 1 1 969 . 5 1 1 A 77 77 ALA C C 77 174.430 175.226 -0.796 1 1 970 . 5 1 1 A 77 77 ALA CA C 77 51.940 51.406 0.534 1 1 971 . 5 1 1 A 77 77 ALA CB C 77 22.234 22.525 -0.291 1 1 972 . 5 1 1 A 77 77 ALA N N 77 122.930 119.932 2.998 1 1 973 . 5 1 1 A 78 78 TRP H H 78 7.776 8.285 -0.509 1 1 974 . 5 1 1 A 78 78 TRP HA H 78 5.690 5.438 0.252 1 1 982 . 5 1 1 A 78 78 TRP C C 78 174.450 173.841 0.609 1 1 983 . 5 1 1 A 78 78 TRP CA C 78 55.899 55.746 0.153 1 1 984 . 5 1 1 A 78 78 TRP CB C 78 32.602 32.101 0.501 1 1 989 . 5 1 1 A 78 78 TRP N N 78 114.705 117.044 -2.339 1 1 991 . 5 1 1 A 79 79 GLU H H 79 9.210 8.475 0.735 1 1 992 . 5 1 1 A 79 79 GLU HA H 79 4.730 5.110 -0.380 1 1 997 . 5 1 1 A 79 79 GLU C C 79 174.130 174.900 -0.770 1 1 998 . 5 1 1 A 79 79 GLU CA C 79 54.939 54.646 0.293 1 1 999 . 5 1 1 A 79 79 GLU CB C 79 31.656 33.931 -2.275 1 1 1001 . 5 1 1 A 79 79 GLU N N 79 114.860 120.324 -5.464 1 1 1002 . 5 1 1 A 80 80 GLU H H 80 9.120 8.752 0.368 1 1 1003 . 5 1 1 A 80 80 GLU HA H 80 5.030 4.777 0.253 1 1 1008 . 5 1 1 A 80 80 GLU C C 80 176.580 176.174 0.406 1 1 1009 . 5 1 1 A 80 80 GLU CA C 80 57.193 56.844 0.349 1 1 1010 . 5 1 1 A 80 80 GLU CB C 80 29.856 30.915 -1.059 1 1 1012 . 5 1 1 A 80 80 GLU N N 80 123.960 123.019 0.941 1 1 1013 . 5 1 1 A 81 81 VAL H H 81 8.694 9.195 -0.501 1 1 1014 . 5 1 1 A 81 81 VAL HA H 81 4.780 4.822 -0.042 1 1 1022 . 5 1 1 A 81 81 VAL C C 81 174.460 174.428 0.032 1 1 1023 . 5 1 1 A 81 81 VAL CA C 81 58.927 59.723 -0.796 1 1 1024 . 5 1 1 A 81 81 VAL CB C 81 35.550 35.646 -0.096 1 1 1027 . 5 1 1 A 81 81 VAL N N 81 118.990 119.780 -0.790 1 1 1028 . 5 1 1 A 82 82 LYS H H 82 8.708 8.605 0.103 1 1 1029 . 5 1 1 A 82 82 LYS HA H 82 4.580 4.371 0.209 1 1 1038 . 5 1 1 A 82 82 LYS C C 82 178.380 178.176 0.204 1 1 1039 . 5 1 1 A 82 82 LYS CA C 82 55.212 56.466 -1.254 1 1 1040 . 5 1 1 A 82 82 LYS CB C 82 33.689 32.665 1.024 1 1 1044 . 5 1 1 A 82 82 LYS N N 82 120.850 125.682 -4.832 1 1 1045 . 5 1 1 A 83 83 LYS H H 83 8.870 8.819 0.051 1 1 1046 . 5 1 1 A 83 83 LYS HA H 83 3.180 3.990 -0.810 1 1 1055 . 5 1 1 A 83 83 LYS C C 83 177.690 177.904 -0.214 1 1 1056 . 5 1 1 A 83 83 LYS CA C 83 59.370 58.684 0.686 1 1 1057 . 5 1 1 A 83 83 LYS CB C 83 32.209 32.189 0.020 1 1 1061 . 5 1 1 A 83 83 LYS N N 83 121.435 123.791 -2.356 1 1 1062 . 5 1 1 A 84 84 ASP H H 84 8.059 8.118 -0.059 1 1 1063 . 5 1 1 A 84 84 ASP HA H 84 4.220 4.420 -0.200 1 1 1066 . 5 1 1 A 84 84 ASP C C 84 177.100 177.094 0.006 1 1 1067 . 5 1 1 A 84 84 ASP CA C 84 55.680 56.861 -1.181 1 1 1068 . 5 1 1 A 84 84 ASP CB C 84 40.392 40.421 -0.029 1 1 1069 . 5 1 1 A 84 84 ASP N N 84 112.520 119.235 -6.715 1 1 1070 . 5 1 1 A 85 85 GLU H H 85 7.686 7.686 0.000 1 1 1071 . 5 1 1 A 85 85 GLU HA H 85 4.136 4.466 -0.330 1 1 1076 . 5 1 1 A 85 85 GLU C C 85 176.270 176.140 0.130 1 1 1077 . 5 1 1 A 85 85 GLU CA C 85 56.133 55.789 0.344 1 1 1078 . 5 1 1 A 85 85 GLU CB C 85 30.479 30.742 -0.263 1 1 1080 . 5 1 1 A 85 85 GLU N N 85 116.930 117.078 -0.148 1 1 1081 . 5 1 1 A 86 86 LEU H H 86 7.017 7.352 -0.335 1 1 1082 . 5 1 1 A 86 86 LEU HA H 86 3.710 4.225 -0.515 1 1 1092 . 5 1 1 A 86 86 LEU CA C 86 52.600 53.038 -0.438 1 1 1093 . 5 1 1 A 86 86 LEU CB C 86 42.120 41.602 0.518 1 1 1097 . 5 1 1 A 86 86 LEU N N 86 119.530 122.618 -3.088 1 1 1098 . 5 1 1 A 87 87 PRO HA H 87 4.330 4.473 -0.143 1 1 1105 . 5 1 1 A 87 87 PRO C C 87 176.940 177.289 -0.349 1 1 1106 . 5 1 1 A 87 87 PRO CA C 87 62.400 62.820 -0.420 1 1 1107 . 5 1 1 A 87 87 PRO CB C 87 32.537 32.646 -0.109 1 1 1110 . 5 1 1 A 88 88 ALA H H 88 8.943 8.663 0.280 1 1 1111 . 5 1 1 A 88 88 ALA HA H 88 3.780 4.014 -0.234 1 1 1115 . 5 1 1 A 88 88 ALA C C 88 180.520 179.857 0.663 1 1 1116 . 5 1 1 A 88 88 ALA CA C 88 56.911 55.038 1.873 1 1 1117 . 5 1 1 A 88 88 ALA CB C 88 18.502 18.126 0.376 1 1 1118 . 5 1 1 A 88 88 ALA N N 88 128.160 127.616 0.544 1 1 1119 . 5 1 1 A 89 89 LYS H H 89 9.270 7.891 1.379 1 1 1120 . 5 1 1 A 89 89 LYS HA H 89 3.990 4.073 -0.083 1 1 1129 . 5 1 1 A 89 89 LYS C C 89 179.070 178.601 0.469 1 1 1130 . 5 1 1 A 89 89 LYS CA C 89 58.648 59.221 -0.573 1 1 1131 . 5 1 1 A 89 89 LYS CB C 89 31.962 32.406 -0.444 1 1 1135 . 5 1 1 A 89 89 LYS N N 89 115.610 117.796 -2.186 1 1 1136 . 5 1 1 A 90 90 VAL H H 90 6.846 7.843 -0.997 1 1 1137 . 5 1 1 A 90 90 VAL HA H 90 3.230 3.880 -0.650 1 1 1145 . 5 1 1 A 90 90 VAL C C 90 177.100 177.511 -0.411 1 1 1146 . 5 1 1 A 90 90 VAL CA C 90 65.870 64.605 1.265 1 1 1147 . 5 1 1 A 90 90 VAL CB C 90 30.880 31.895 -1.015 1 1 1150 . 5 1 1 A 90 90 VAL N N 90 117.560 119.650 -2.090 1 1 1151 . 5 1 1 A 91 91 LYS H H 91 7.850 7.675 0.175 1 1 1152 . 5 1 1 A 91 91 LYS HA H 91 3.430 3.884 -0.454 1 1 1161 . 5 1 1 A 91 91 LYS C C 91 178.420 178.959 -0.539 1 1 1162 . 5 1 1 A 91 91 LYS CA C 91 61.028 58.762 2.266 1 1 1163 . 5 1 1 A 91 91 LYS CB C 91 32.387 32.067 0.320 1 1 1167 . 5 1 1 A 91 91 LYS N N 91 118.750 121.278 -2.528 1 1 1168 . 5 1 1 A 92 92 GLU H H 92 7.282 8.109 -0.827 1 1 1169 . 5 1 1 A 92 92 GLU HA H 92 3.990 4.030 -0.040 1 1 1174 . 5 1 1 A 92 92 GLU C C 92 179.380 177.851 1.529 1 1 1175 . 5 1 1 A 92 92 GLU CA C 92 59.030 58.804 0.226 1 1 1176 . 5 1 1 A 92 92 GLU CB C 92 29.841 29.541 0.300 1 1 1178 . 5 1 1 A 92 92 GLU N N 92 115.375 119.032 -3.657 1 1 1179 . 5 1 1 A 93 93 LYS H H 93 7.343 7.559 -0.216 1 1 1180 . 5 1 1 A 93 93 LYS HA H 93 3.800 4.389 -0.589 1 1 1189 . 5 1 1 A 93 93 LYS C C 93 178.310 177.339 0.971 1 1 1190 . 5 1 1 A 93 93 LYS CA C 93 56.970 57.011 -0.041 1 1 1191 . 5 1 1 A 93 93 LYS CB C 93 30.740 33.740 -3.000 1 1 1195 . 5 1 1 A 93 93 LYS N N 93 118.370 117.102 1.268 1 1 1196 . 5 1 1 A 94 94 LEU H H 94 8.000 7.973 0.027 1 1 1197 . 5 1 1 A 94 94 LEU HA H 94 4.360 4.194 0.166 1 1 1207 . 5 1 1 A 94 94 LEU C C 94 177.350 177.306 0.044 1 1 1208 . 5 1 1 A 94 94 LEU CA C 94 54.765 56.151 -1.386 1 1 1209 . 5 1 1 A 94 94 LEU CB C 94 42.796 41.718 1.078 1 1 1213 . 5 1 1 A 94 94 LEU N N 94 115.600 119.482 -3.882 1 1 1214 . 5 1 1 A 95 95 GLY H H 95 7.601 8.358 -0.757 1 1 1215 . 5 1 1 A 95 95 GLY HA2 H 95 3.830 4.017 -0.187 1 1 1216 . 5 1 1 A 95 95 GLY HA3 H 95 3.950 4.024 -0.074 1 1 1217 . 5 1 1 A 95 95 GLY C C 95 174.790 174.694 0.096 1 1 1218 . 5 1 1 A 95 95 GLY CA C 95 46.550 45.070 1.480 1 1 1219 . 5 1 1 A 95 95 GLY N N 95 108.540 113.412 -4.872 1 1 1220 . 5 1 1 A 96 96 VAL H H 96 7.957 7.366 0.591 1 1 1221 . 5 1 1 A 96 96 VAL HA H 96 3.940 4.171 -0.231 1 1 1229 . 5 1 1 A 96 96 VAL C C 96 175.540 175.291 0.249 1 1 1230 . 5 1 1 A 96 96 VAL CA C 96 62.314 61.822 0.492 1 1 1231 . 5 1 1 A 96 96 VAL CB C 96 32.155 33.025 -0.870 1 1 1234 . 5 1 1 A 96 96 VAL N N 96 119.490 120.469 -0.979 1 1 1235 . 5 1 1 A 97 97 LYS H H 97 8.293 8.615 -0.322 1 1 1236 . 5 1 1 A 97 97 LYS HA H 97 4.210 4.681 -0.471 1 1 1245 . 5 1 1 A 97 97 LYS C C 97 176.290 175.799 0.491 1 1 1246 . 5 1 1 A 97 97 LYS CA C 97 56.174 55.458 0.716 1 1 1247 . 5 1 1 A 97 97 LYS CB C 97 33.200 32.965 0.235 1 1 1251 . 5 1 1 A 97 97 LYS N N 97 126.120 126.431 -0.311 1 1 1252 . 5 1 1 A 98 98 LEU H H 98 8.315 8.549 -0.234 1 1 1253 . 5 1 1 A 98 98 LEU HA H 98 4.240 4.252 -0.012 1 1 1263 . 5 1 1 A 98 98 LEU C C 98 176.930 176.861 0.069 1 1 1264 . 5 1 1 A 98 98 LEU CA C 98 54.800 54.842 -0.042 1 1 1265 . 5 1 1 A 98 98 LEU CB C 98 42.217 41.751 0.466 1 1 1269 . 5 1 1 A 98 98 LEU N N 98 124.170 124.981 -0.811 1 1 1270 . 5 1 1 A 99 99 GLU H H 99 8.375 9.056 -0.681 1 1 1271 . 5 1 1 A 99 99 GLU HA H 99 4.175 4.437 -0.262 1 1 1276 . 5 1 1 A 99 99 GLU C C 99 176.035 176.432 -0.397 1 1 1277 . 5 1 1 A 99 99 GLU CA C 99 56.352 58.484 -2.132 1 1 1278 . 5 1 1 A 99 99 GLU CB C 99 30.460 30.947 -0.487 1 1 1280 . 5 1 1 A 99 99 GLU N N 99 122.010 123.768 -1.758 1 1 1281 . 5 1 1 A 100 100 HIS H H 100 8.350 7.962 0.388 1 1 1282 . 5 1 1 A 100 100 HIS HA H 100 4.565 4.324 0.241 1 1 1285 . 5 1 1 A 100 100 HIS C C 100 173.880 174.343 -0.463 1 1 1286 . 5 1 1 A 100 100 HIS CA C 100 56.050 56.254 -0.204 1 1 1287 . 5 1 1 A 100 100 HIS CB C 100 30.144 28.291 1.853 1 1 1288 . 5 1 1 A 100 100 HIS N N 100 120.245 116.807 3.438 1 1 1289 . 5 1 1 A 101 101 HIS H H 101 8.134 8.571 -0.437 1 1 1290 . 5 1 1 A 101 101 HIS HA H 101 4.410 4.737 -0.327 1 1 1293 . 5 1 1 A 101 101 HIS CA C 101 57.290 55.512 1.778 1 1 1294 . 5 1 1 A 101 101 HIS CB C 101 31.450 28.789 2.661 1 1 1 . 6 1 1 A 2 2 ASP HA H 2 4.670 4.834 -0.164 1 1 4 . 6 1 1 A 2 2 ASP C C 2 176.480 176.009 0.471 1 1 5 . 6 1 1 A 2 2 ASP CA C 2 53.400 53.018 0.382 1 1 6 . 6 1 1 A 2 2 ASP CB C 2 41.170 39.234 1.936 1 1 7 . 6 1 1 A 3 3 LEU H H 3 8.650 7.853 0.797 1 1 8 . 6 1 1 A 3 3 LEU HA H 3 4.116 4.360 -0.244 1 1 18 . 6 1 1 A 3 3 LEU C C 3 177.880 177.451 0.429 1 1 19 . 6 1 1 A 3 3 LEU CA C 3 56.390 55.094 1.296 1 1 20 . 6 1 1 A 3 3 LEU CB C 3 41.660 40.956 0.704 1 1 24 . 6 1 1 A 3 3 LEU N N 3 125.300 125.177 0.123 1 1 25 . 6 1 1 A 4 4 ASN H H 4 8.370 7.864 0.506 1 1 26 . 6 1 1 A 4 4 ASN HA H 4 4.490 4.983 -0.493 1 1 31 . 6 1 1 A 4 4 ASN C C 4 175.050 175.854 -0.804 1 1 32 . 6 1 1 A 4 4 ASN CA C 4 54.320 53.192 1.128 1 1 33 . 6 1 1 A 4 4 ASN CB C 4 38.240 39.511 -1.271 1 1 34 . 6 1 1 A 4 4 ASN N N 4 116.550 116.412 0.138 1 1 36 . 6 1 1 A 5 5 ARG H H 5 7.645 7.711 -0.066 1 1 37 . 6 1 1 A 5 5 ARG HA H 5 3.920 4.503 -0.583 1 1 45 . 6 1 1 A 5 5 ARG C C 5 176.030 176.538 -0.508 1 1 46 . 6 1 1 A 5 5 ARG CA C 5 56.180 55.355 0.825 1 1 47 . 6 1 1 A 5 5 ARG CB C 5 31.570 31.609 -0.039 1 1 50 . 6 1 1 A 5 5 ARG N N 5 118.590 118.054 0.536 1 1 52 . 6 1 1 A 6 6 MET H H 6 7.809 8.089 -0.280 1 1 53 . 6 1 1 A 6 6 MET HA H 6 4.355 4.579 -0.224 1 1 58 . 6 1 1 A 6 6 MET C C 6 176.940 176.359 0.581 1 1 59 . 6 1 1 A 6 6 MET CA C 6 56.290 54.404 1.886 1 1 60 . 6 1 1 A 6 6 MET CB C 6 33.020 33.639 -0.619 1 1 62 . 6 1 1 A 6 6 MET N N 6 120.180 116.765 3.415 1 1 63 . 6 1 1 A 7 7 GLY H H 7 8.906 7.695 1.211 1 1 64 . 6 1 1 A 7 7 GLY HA2 H 7 3.870 3.831 0.039 1 1 65 . 6 1 1 A 7 7 GLY HA3 H 7 3.950 3.835 0.115 1 1 66 . 6 1 1 A 7 7 GLY C C 7 174.280 174.145 0.135 1 1 67 . 6 1 1 A 7 7 GLY CA C 7 46.110 47.023 -0.913 1 1 68 . 6 1 1 A 7 7 GLY N N 7 112.660 109.066 3.594 1 1 69 . 6 1 1 A 8 8 LYS H H 8 7.819 8.218 -0.399 1 1 70 . 6 1 1 A 8 8 LYS HA H 8 4.550 4.543 0.007 1 1 79 . 6 1 1 A 8 8 LYS C C 8 176.060 175.287 0.773 1 1 80 . 6 1 1 A 8 8 LYS CA C 8 54.444 56.163 -1.719 1 1 81 . 6 1 1 A 8 8 LYS CB C 8 33.760 32.680 1.080 1 1 85 . 6 1 1 A 8 8 LYS N N 8 119.130 120.293 -1.163 1 1 86 . 6 1 1 A 9 9 ASP H H 9 8.790 8.585 0.205 1 1 87 . 6 1 1 A 9 9 ASP HA H 9 4.730 4.977 -0.247 1 1 90 . 6 1 1 A 9 9 ASP C C 9 174.530 173.788 0.742 1 1 91 . 6 1 1 A 9 9 ASP CA C 9 54.560 53.251 1.309 1 1 92 . 6 1 1 A 9 9 ASP CB C 9 42.530 44.879 -2.349 1 1 93 . 6 1 1 A 9 9 ASP N N 9 121.550 120.963 0.587 1 1 94 . 6 1 1 A 10 10 GLU H H 10 7.950 8.673 -0.723 1 1 95 . 6 1 1 A 10 10 GLU HA H 10 4.570 5.573 -1.003 1 1 100 . 6 1 1 A 10 10 GLU C C 10 174.080 174.392 -0.312 1 1 101 . 6 1 1 A 10 10 GLU CA C 10 54.640 54.757 -0.117 1 1 102 . 6 1 1 A 10 10 GLU CB C 10 31.380 31.786 -0.406 1 1 104 . 6 1 1 A 10 10 GLU N N 10 119.640 119.120 0.520 1 1 105 . 6 1 1 A 11 11 TYR H H 11 8.767 9.296 -0.529 1 1 106 . 6 1 1 A 11 11 TYR HA H 11 4.555 5.226 -0.671 1 1 113 . 6 1 1 A 11 11 TYR C C 11 173.480 175.021 -1.541 1 1 114 . 6 1 1 A 11 11 TYR CA C 11 56.360 56.761 -0.401 1 1 115 . 6 1 1 A 11 11 TYR CB C 11 43.860 39.937 3.923 1 1 120 . 6 1 1 A 11 11 TYR N N 11 120.960 124.351 -3.391 1 1 121 . 6 1 1 A 12 12 TYR H H 12 9.290 9.262 0.028 1 1 122 . 6 1 1 A 12 12 TYR HA H 12 5.730 5.163 0.567 1 1 129 . 6 1 1 A 12 12 TYR C C 12 175.700 176.080 -0.380 1 1 130 . 6 1 1 A 12 12 TYR CA C 12 56.680 57.516 -0.836 1 1 131 . 6 1 1 A 12 12 TYR CB C 12 42.180 38.259 3.921 1 1 136 . 6 1 1 A 12 12 TYR N N 12 118.880 123.161 -4.281 1 1 137 . 6 1 1 A 13 13 VAL H H 13 8.670 8.882 -0.212 1 1 138 . 6 1 1 A 13 13 VAL HA H 13 5.050 5.088 -0.038 1 1 146 . 6 1 1 A 13 13 VAL C C 13 174.820 173.983 0.837 1 1 147 . 6 1 1 A 13 13 VAL CA C 13 58.130 59.138 -1.008 1 1 148 . 6 1 1 A 13 13 VAL CB C 13 35.890 35.197 0.693 1 1 151 . 6 1 1 A 13 13 VAL N N 13 112.280 118.383 -6.103 1 1 152 . 6 1 1 A 14 14 GLN H H 14 8.760 8.585 0.175 1 1 153 . 6 1 1 A 14 14 GLN HA H 14 5.090 3.908 1.182 1 1 160 . 6 1 1 A 14 14 GLN C C 14 175.000 175.337 -0.337 1 1 161 . 6 1 1 A 14 14 GLN CA C 14 53.520 54.276 -0.756 1 1 162 . 6 1 1 A 14 14 GLN CB C 14 31.250 29.935 1.315 1 1 164 . 6 1 1 A 14 14 GLN N N 14 120.910 122.146 -1.236 1 1 166 . 6 1 1 A 15 15 ILE H H 15 8.843 8.116 0.727 1 1 167 . 6 1 1 A 15 15 ILE HA H 15 3.900 4.053 -0.153 1 1 177 . 6 1 1 A 15 15 ILE C C 15 177.090 177.161 -0.071 1 1 178 . 6 1 1 A 15 15 ILE CA C 15 59.269 61.561 -2.292 1 1 179 . 6 1 1 A 15 15 ILE CB C 15 34.050 36.655 -2.605 1 1 183 . 6 1 1 A 15 15 ILE N N 15 125.520 126.444 -0.924 1 1 184 . 6 1 1 A 16 16 THR H H 16 7.996 8.149 -0.153 1 1 185 . 6 1 1 A 16 16 THR HA H 16 4.540 4.291 0.249 1 1 190 . 6 1 1 A 16 16 THR C C 16 173.650 174.835 -1.185 1 1 191 . 6 1 1 A 16 16 THR CA C 16 61.180 63.957 -2.777 1 1 192 . 6 1 1 A 16 16 THR CB C 16 69.300 68.836 0.464 1 1 194 . 6 1 1 A 16 16 THR N N 16 118.080 119.476 -1.396 1 1 195 . 6 1 1 A 17 17 VAL H H 17 7.240 7.650 -0.410 1 1 196 . 6 1 1 A 17 17 VAL HA H 17 4.659 4.700 -0.041 1 1 204 . 6 1 1 A 17 17 VAL C C 17 175.135 174.541 0.594 1 1 205 . 6 1 1 A 17 17 VAL CA C 17 58.870 59.981 -1.111 1 1 206 . 6 1 1 A 17 17 VAL CB C 17 36.070 34.158 1.912 1 1 209 . 6 1 1 A 17 17 VAL N N 17 113.230 118.190 -4.960 1 1 210 . 6 1 1 A 18 18 ASP H H 18 8.280 8.501 -0.221 1 1 211 . 6 1 1 A 18 18 ASP HA H 18 5.010 4.596 0.414 1 1 214 . 6 1 1 A 18 18 ASP C C 18 177.350 175.383 1.967 1 1 215 . 6 1 1 A 18 18 ASP CA C 18 54.765 51.862 2.903 1 1 216 . 6 1 1 A 18 18 ASP CB C 18 42.120 44.465 -2.345 1 1 217 . 6 1 1 A 18 18 ASP N N 18 120.730 123.935 -3.205 1 1 218 . 6 1 1 A 19 19 GLY H H 19 8.951 8.303 0.648 1 1 219 . 6 1 1 A 19 19 GLY HA2 H 19 2.920 3.604 -0.684 1 1 220 . 6 1 1 A 19 19 GLY HA3 H 19 2.978 3.716 -0.738 1 1 221 . 6 1 1 A 19 19 GLY C C 19 172.450 174.747 -2.297 1 1 222 . 6 1 1 A 19 19 GLY CA C 19 45.370 45.509 -0.139 1 1 223 . 6 1 1 A 19 19 GLY N N 19 110.580 110.148 0.432 1 1 224 . 6 1 1 A 20 20 LYS H H 20 8.110 7.592 0.518 1 1 225 . 6 1 1 A 20 20 LYS HA H 20 4.374 4.214 0.160 1 1 234 . 6 1 1 A 20 20 LYS C C 20 175.710 175.663 0.047 1 1 235 . 6 1 1 A 20 20 LYS CA C 20 54.800 55.477 -0.677 1 1 236 . 6 1 1 A 20 20 LYS CB C 20 33.240 31.484 1.756 1 1 240 . 6 1 1 A 20 20 LYS N N 20 124.290 120.880 3.410 1 1 241 . 6 1 1 A 21 21 GLU H H 21 8.710 8.272 0.438 1 1 242 . 6 1 1 A 21 21 GLU HA H 21 3.930 5.244 -1.314 1 1 247 . 6 1 1 A 21 21 GLU C C 21 175.960 176.386 -0.426 1 1 248 . 6 1 1 A 21 21 GLU CA C 21 56.940 56.436 0.504 1 1 249 . 6 1 1 A 21 21 GLU CB C 21 30.439 30.389 0.050 1 1 251 . 6 1 1 A 21 21 GLU N N 21 128.720 124.560 4.160 1 1 252 . 6 1 1 A 22 22 VAL H H 22 8.621 8.504 0.117 1 1 253 . 6 1 1 A 22 22 VAL HA H 22 4.160 4.314 -0.154 1 1 261 . 6 1 1 A 22 22 VAL C C 22 175.210 176.626 -1.416 1 1 262 . 6 1 1 A 22 22 VAL CA C 22 61.027 61.530 -0.503 1 1 263 . 6 1 1 A 22 22 VAL CB C 22 34.501 30.786 3.715 1 1 266 . 6 1 1 A 22 22 VAL N N 22 125.340 124.060 1.280 1 1 267 . 6 1 1 A 23 23 HIS H H 23 8.607 7.833 0.774 1 1 268 . 6 1 1 A 23 23 HIS HA H 23 4.820 4.442 0.378 1 1 273 . 6 1 1 A 23 23 HIS C C 23 175.040 176.898 -1.858 1 1 274 . 6 1 1 A 23 23 HIS CA C 23 55.498 56.346 -0.848 1 1 275 . 6 1 1 A 23 23 HIS CB C 23 30.660 29.794 0.866 1 1 278 . 6 1 1 A 23 23 HIS N N 23 124.000 122.326 1.674 1 1 279 . 6 1 1 A 24 24 SER H H 24 8.480 7.806 0.674 1 1 280 . 6 1 1 A 24 24 SER HA H 24 4.480 4.082 0.398 1 1 283 . 6 1 1 A 24 24 SER C C 24 173.860 175.419 -1.559 1 1 284 . 6 1 1 A 24 24 SER CA C 24 57.690 60.624 -2.934 1 1 285 . 6 1 1 A 24 24 SER CB C 24 64.580 62.569 2.011 1 1 286 . 6 1 1 A 24 24 SER N N 24 118.250 116.054 2.196 1 1 287 . 6 1 1 A 25 25 LYS H H 25 8.517 7.425 1.092 1 1 288 . 6 1 1 A 25 25 LYS HA H 25 4.561 4.442 0.119 1 1 297 . 6 1 1 A 25 25 LYS C C 25 176.160 175.005 1.155 1 1 298 . 6 1 1 A 25 25 LYS CA C 25 56.255 55.667 0.588 1 1 299 . 6 1 1 A 25 25 LYS CB C 25 33.714 32.570 1.144 1 1 303 . 6 1 1 A 25 25 LYS N N 25 122.750 117.102 5.648 1 1 304 . 6 1 1 A 26 26 ALA H H 26 8.468 7.452 1.016 1 1 305 . 6 1 1 A 26 26 ALA HA H 26 4.470 4.621 -0.151 1 1 309 . 6 1 1 A 26 26 ALA C C 26 177.950 175.387 2.563 1 1 310 . 6 1 1 A 26 26 ALA CA C 26 51.912 51.026 0.886 1 1 311 . 6 1 1 A 26 26 ALA CB C 26 20.050 19.887 0.163 1 1 312 . 6 1 1 A 26 26 ALA N N 26 125.370 121.949 3.421 1 1 313 . 6 1 1 A 27 27 ASP H H 27 8.509 8.769 -0.260 1 1 314 . 6 1 1 A 27 27 ASP HA H 27 4.460 4.841 -0.381 1 1 317 . 6 1 1 A 27 27 ASP C C 27 176.480 176.237 0.243 1 1 318 . 6 1 1 A 27 27 ASP CA C 27 55.490 54.350 1.140 1 1 319 . 6 1 1 A 27 27 ASP CB C 27 40.771 40.612 0.159 1 1 320 . 6 1 1 A 27 27 ASP N N 27 120.380 123.387 -3.007 1 1 321 . 6 1 1 A 28 28 ASN H H 28 8.193 8.932 -0.739 1 1 322 . 6 1 1 A 28 28 ASN HA H 28 4.620 4.360 0.260 1 1 327 . 6 1 1 A 28 28 ASN C C 28 176.310 175.326 0.984 1 1 328 . 6 1 1 A 28 28 ASN CA C 28 53.050 54.661 -1.611 1 1 329 . 6 1 1 A 28 28 ASN CB C 28 38.080 37.415 0.665 1 1 330 . 6 1 1 A 28 28 ASN N N 28 117.470 120.956 -3.486 1 1 332 . 6 1 1 A 29 29 GLY H H 29 8.359 8.084 0.275 1 1 333 . 6 1 1 A 29 29 GLY HA2 H 29 4.110 4.124 -0.014 1 1 334 . 6 1 1 A 29 29 GLY HA3 H 29 3.720 4.152 -0.432 1 1 335 . 6 1 1 A 29 29 GLY C C 29 174.365 174.041 0.324 1 1 336 . 6 1 1 A 29 29 GLY CA C 29 45.688 45.645 0.043 1 1 337 . 6 1 1 A 29 29 GLY N N 29 108.230 105.367 2.863 1 1 338 . 6 1 1 A 30 30 GLN H H 30 7.920 7.826 0.094 1 1 339 . 6 1 1 A 30 30 GLN HA H 30 4.200 4.001 0.199 1 1 346 . 6 1 1 A 30 30 GLN C C 30 174.330 175.410 -1.080 1 1 347 . 6 1 1 A 30 30 GLN CA C 30 56.210 55.168 1.042 1 1 348 . 6 1 1 A 30 30 GLN CB C 30 29.320 27.554 1.766 1 1 350 . 6 1 1 A 30 30 GLN N N 30 119.670 118.092 1.578 1 1 352 . 6 1 1 A 31 31 LYS H H 31 8.390 8.445 -0.055 1 1 353 . 6 1 1 A 31 31 LYS HA H 31 4.490 4.534 -0.044 1 1 362 . 6 1 1 A 31 31 LYS C C 31 176.052 175.642 0.410 1 1 363 . 6 1 1 A 31 31 LYS CA C 31 56.417 56.227 0.190 1 1 364 . 6 1 1 A 31 31 LYS CB C 31 33.414 33.627 -0.213 1 1 368 . 6 1 1 A 31 31 LYS N N 31 121.950 124.326 -2.376 1 1 369 . 6 1 1 A 32 32 TYR H H 32 8.160 7.515 0.645 1 1 370 . 6 1 1 A 32 32 TYR HA H 32 4.770 5.375 -0.605 1 1 377 . 6 1 1 A 32 32 TYR C C 32 175.560 173.610 1.950 1 1 378 . 6 1 1 A 32 32 TYR CA C 32 56.300 55.730 0.570 1 1 379 . 6 1 1 A 32 32 TYR CB C 32 40.074 42.679 -2.605 1 1 384 . 6 1 1 A 32 32 TYR N N 32 119.960 116.187 3.773 1 1 385 . 6 1 1 A 33 33 LYS H H 33 8.397 8.849 -0.452 1 1 386 . 6 1 1 A 33 33 LYS HA H 33 4.610 5.047 -0.437 1 1 395 . 6 1 1 A 33 33 LYS C C 33 174.080 174.408 -0.328 1 1 396 . 6 1 1 A 33 33 LYS CA C 33 55.512 54.892 0.620 1 1 397 . 6 1 1 A 33 33 LYS CB C 33 34.570 36.325 -1.755 1 1 401 . 6 1 1 A 33 33 LYS N N 33 122.080 119.220 2.860 1 1 402 . 6 1 1 A 34 34 ASP H H 34 8.140 8.656 -0.516 1 1 403 . 6 1 1 A 34 34 ASP HA H 34 5.040 4.596 0.444 1 1 406 . 6 1 1 A 34 34 ASP C C 34 173.740 175.115 -1.375 1 1 407 . 6 1 1 A 34 34 ASP CA C 34 53.104 53.539 -0.435 1 1 408 . 6 1 1 A 34 34 ASP CB C 34 44.290 42.175 2.115 1 1 409 . 6 1 1 A 34 34 ASP N N 34 121.430 123.754 -2.324 1 1 410 . 6 1 1 A 35 35 TYR H H 35 8.849 8.478 0.371 1 1 411 . 6 1 1 A 35 35 TYR HA H 35 4.660 5.387 -0.727 1 1 418 . 6 1 1 A 35 35 TYR C C 35 174.450 174.901 -0.451 1 1 419 . 6 1 1 A 35 35 TYR CA C 35 57.177 56.440 0.737 1 1 420 . 6 1 1 A 35 35 TYR CB C 35 40.955 39.273 1.682 1 1 425 . 6 1 1 A 35 35 TYR N N 35 116.670 119.011 -2.341 1 1 426 . 6 1 1 A 36 36 GLU H H 36 9.144 9.317 -0.173 1 1 427 . 6 1 1 A 36 36 GLU HA H 36 4.615 4.768 -0.153 1 1 432 . 6 1 1 A 36 36 GLU C C 36 175.850 174.540 1.310 1 1 433 . 6 1 1 A 36 36 GLU CA C 36 55.700 56.042 -0.342 1 1 434 . 6 1 1 A 36 36 GLU CB C 36 32.541 30.811 1.730 1 1 436 . 6 1 1 A 36 36 GLU N N 36 122.490 125.694 -3.204 1 1 437 . 6 1 1 A 37 37 TYR H H 37 8.598 8.915 -0.317 1 1 438 . 6 1 1 A 37 37 TYR HA H 37 4.090 4.832 -0.742 1 1 445 . 6 1 1 A 37 37 TYR C C 37 174.140 174.319 -0.179 1 1 446 . 6 1 1 A 37 37 TYR CA C 37 58.399 55.964 2.435 1 1 447 . 6 1 1 A 37 37 TYR CB C 37 41.690 38.855 2.835 1 1 452 . 6 1 1 A 37 37 TYR N N 37 122.480 126.251 -3.771 1 1 453 . 6 1 1 A 38 38 LYS H H 38 8.410 8.600 -0.190 1 1 454 . 6 1 1 A 38 38 LYS HA H 38 5.080 4.429 0.651 1 1 463 . 6 1 1 A 38 38 LYS C C 38 174.980 174.801 0.179 1 1 464 . 6 1 1 A 38 38 LYS CA C 38 56.133 55.447 0.686 1 1 465 . 6 1 1 A 38 38 LYS CB C 38 33.525 32.026 1.499 1 1 469 . 6 1 1 A 38 38 LYS N N 38 124.250 126.192 -1.942 1 1 470 . 6 1 1 A 39 39 LEU H H 39 8.555 8.788 -0.233 1 1 471 . 6 1 1 A 39 39 LEU HA H 39 4.865 4.945 -0.080 1 1 480 . 6 1 1 A 39 39 LEU C C 39 175.120 175.582 -0.462 1 1 481 . 6 1 1 A 39 39 LEU CA C 39 53.316 53.280 0.036 1 1 482 . 6 1 1 A 39 39 LEU CB C 39 47.338 43.555 3.783 1 1 485 . 6 1 1 A 39 39 LEU N N 39 124.840 127.925 -3.085 1 1 486 . 6 1 1 A 40 40 THR H H 40 8.615 8.851 -0.236 1 1 487 . 6 1 1 A 40 40 THR HA H 40 4.410 4.377 0.033 1 1 492 . 6 1 1 A 40 40 THR C C 40 173.360 174.412 -1.052 1 1 493 . 6 1 1 A 40 40 THR CA C 40 63.200 61.879 1.321 1 1 494 . 6 1 1 A 40 40 THR CB C 40 69.100 68.987 0.113 1 1 496 . 6 1 1 A 40 40 THR N N 40 118.390 120.263 -1.873 1 1 497 . 6 1 1 A 41 41 GLY H H 41 8.545 8.811 -0.266 1 1 498 . 6 1 1 A 41 41 GLY HA2 H 41 3.030 3.865 -0.835 1 1 499 . 6 1 1 A 41 41 GLY HA3 H 41 4.910 4.211 0.699 1 1 500 . 6 1 1 A 41 41 GLY C C 41 171.375 172.049 -0.674 1 1 501 . 6 1 1 A 41 41 GLY CA C 41 43.963 44.485 -0.522 1 1 502 . 6 1 1 A 41 41 GLY N N 41 113.500 114.566 -1.066 1 1 503 . 6 1 1 A 42 42 PHE H H 42 8.650 9.317 -0.667 1 1 504 . 6 1 1 A 42 42 PHE HA H 42 5.910 5.315 0.595 1 1 512 . 6 1 1 A 42 42 PHE C C 42 176.670 174.616 2.054 1 1 513 . 6 1 1 A 42 42 PHE CA C 42 56.260 57.029 -0.769 1 1 514 . 6 1 1 A 42 42 PHE CB C 42 44.750 39.786 4.964 1 1 520 . 6 1 1 A 42 42 PHE N N 42 113.300 122.910 -9.610 1 1 521 . 6 1 1 A 43 43 ASP H H 43 9.040 9.374 -0.334 1 1 522 . 6 1 1 A 43 43 ASP HA H 43 5.100 4.751 0.349 1 1 525 . 6 1 1 A 43 43 ASP C C 43 177.790 176.850 0.940 1 1 526 . 6 1 1 A 43 43 ASP CA C 43 51.990 53.725 -1.735 1 1 527 . 6 1 1 A 43 43 ASP CB C 43 41.660 41.862 -0.202 1 1 528 . 6 1 1 A 43 43 ASP N N 43 123.450 125.237 -1.787 1 1 529 . 6 1 1 A 44 44 LYS H H 44 8.689 8.885 -0.196 1 1 530 . 6 1 1 A 44 44 LYS HA H 44 3.920 4.157 -0.237 1 1 539 . 6 1 1 A 44 44 LYS C C 44 175.450 175.547 -0.097 1 1 540 . 6 1 1 A 44 44 LYS CA C 44 58.730 58.445 0.285 1 1 541 . 6 1 1 A 44 44 LYS CB C 44 31.707 32.373 -0.666 1 1 545 . 6 1 1 A 44 44 LYS N N 44 113.360 124.782 -11.422 1 1 546 . 6 1 1 A 45 45 ASP H H 45 8.178 8.716 -0.538 1 1 547 . 6 1 1 A 45 45 ASP HA H 45 4.930 4.948 -0.018 1 1 550 . 6 1 1 A 45 45 ASP C C 45 176.710 177.223 -0.513 1 1 551 . 6 1 1 A 45 45 ASP CA C 45 54.501 55.610 -1.109 1 1 552 . 6 1 1 A 45 45 ASP CB C 45 42.260 43.728 -1.468 1 1 553 . 6 1 1 A 45 45 ASP N N 45 119.050 117.948 1.102 1 1 554 . 6 1 1 A 46 46 GLY H H 46 8.853 7.645 1.208 1 1 555 . 6 1 1 A 46 46 GLY HA2 H 46 4.120 4.159 -0.039 1 1 556 . 6 1 1 A 46 46 GLY HA3 H 46 3.350 4.236 -0.886 1 1 557 . 6 1 1 A 46 46 GLY C C 46 173.020 173.463 -0.443 1 1 558 . 6 1 1 A 46 46 GLY CA C 46 45.510 45.750 -0.240 1 1 559 . 6 1 1 A 46 46 GLY N N 46 110.250 106.287 3.963 1 1 560 . 6 1 1 A 47 47 LYS H H 47 8.640 7.414 1.226 1 1 561 . 6 1 1 A 47 47 LYS HA H 47 4.320 4.451 -0.131 1 1 570 . 6 1 1 A 47 47 LYS C C 47 176.180 175.731 0.449 1 1 571 . 6 1 1 A 47 47 LYS CA C 47 57.200 55.813 1.387 1 1 572 . 6 1 1 A 47 47 LYS CB C 47 32.300 33.460 -1.160 1 1 576 . 6 1 1 A 47 47 LYS N N 47 123.450 120.143 3.307 1 1 577 . 6 1 1 A 48 48 GLU H H 48 8.510 8.769 -0.259 1 1 578 . 6 1 1 A 48 48 GLU HA H 48 4.914 5.094 -0.180 1 1 583 . 6 1 1 A 48 48 GLU C C 48 176.545 175.713 0.832 1 1 584 . 6 1 1 A 48 48 GLU CA C 48 55.540 55.541 -0.001 1 1 585 . 6 1 1 A 48 48 GLU CB C 48 32.850 30.547 2.303 1 1 587 . 6 1 1 A 48 48 GLU N N 48 123.300 124.661 -1.361 1 1 588 . 6 1 1 A 49 49 LYS H H 49 8.304 8.908 -0.604 1 1 589 . 6 1 1 A 49 49 LYS HA H 49 4.080 4.850 -0.770 1 1 598 . 6 1 1 A 49 49 LYS C C 49 173.870 175.428 -1.558 1 1 599 . 6 1 1 A 49 49 LYS CA C 49 54.797 54.495 0.302 1 1 600 . 6 1 1 A 49 49 LYS CB C 49 36.248 35.783 0.465 1 1 604 . 6 1 1 A 49 49 LYS N N 49 123.450 124.171 -0.721 1 1 605 . 6 1 1 A 50 50 GLU H H 50 8.377 8.500 -0.123 1 1 606 . 6 1 1 A 50 50 GLU HA H 50 4.298 4.514 -0.216 1 1 611 . 6 1 1 A 50 50 GLU C C 50 175.090 175.352 -0.262 1 1 612 . 6 1 1 A 50 50 GLU CA C 50 56.950 56.080 0.870 1 1 613 . 6 1 1 A 50 50 GLU CB C 50 29.872 30.506 -0.634 1 1 615 . 6 1 1 A 50 50 GLU N N 50 127.100 122.002 5.098 1 1 616 . 6 1 1 A 51 51 LEU H H 51 8.934 9.299 -0.365 1 1 617 . 6 1 1 A 51 51 LEU HA H 51 4.517 4.925 -0.408 1 1 627 . 6 1 1 A 51 51 LEU C C 51 174.890 175.304 -0.414 1 1 628 . 6 1 1 A 51 51 LEU CA C 51 53.817 53.569 0.248 1 1 629 . 6 1 1 A 51 51 LEU CB C 51 45.254 42.594 2.660 1 1 633 . 6 1 1 A 51 51 LEU N N 51 127.790 127.360 0.430 1 1 634 . 6 1 1 A 52 52 GLU H H 52 8.360 8.924 -0.564 1 1 635 . 6 1 1 A 52 52 GLU HA H 52 5.417 5.680 -0.263 1 1 640 . 6 1 1 A 52 52 GLU C C 52 174.890 175.365 -0.475 1 1 641 . 6 1 1 A 52 52 GLU CA C 52 54.519 54.774 -0.255 1 1 642 . 6 1 1 A 52 52 GLU CB C 52 32.500 32.753 -0.253 1 1 644 . 6 1 1 A 52 52 GLU N N 52 121.180 122.874 -1.694 1 1 645 . 6 1 1 A 53 53 PHE H H 53 8.465 8.225 0.240 1 1 646 . 6 1 1 A 53 53 PHE HA H 53 5.130 5.523 -0.393 1 1 654 . 6 1 1 A 53 53 PHE C C 53 172.660 173.039 -0.379 1 1 655 . 6 1 1 A 53 53 PHE CA C 53 56.508 55.760 0.748 1 1 656 . 6 1 1 A 53 53 PHE CB C 53 40.095 42.541 -2.446 1 1 662 . 6 1 1 A 53 53 PHE N N 53 118.940 118.028 0.912 1 1 663 . 6 1 1 A 54 54 THR H H 54 8.622 8.947 -0.325 1 1 664 . 6 1 1 A 54 54 THR HA H 54 5.530 5.288 0.242 1 1 669 . 6 1 1 A 54 54 THR C C 54 173.470 174.209 -0.739 1 1 670 . 6 1 1 A 54 54 THR CA C 54 60.148 60.811 -0.663 1 1 671 . 6 1 1 A 54 54 THR CB C 54 71.820 70.242 1.578 1 1 673 . 6 1 1 A 54 54 THR N N 54 112.280 112.351 -0.071 1 1 674 . 6 1 1 A 55 55 ALA H H 55 9.710 9.220 0.490 1 1 675 . 6 1 1 A 55 55 ALA HA H 55 5.354 5.164 0.190 1 1 679 . 6 1 1 A 55 55 ALA C C 55 176.720 178.509 -1.789 1 1 680 . 6 1 1 A 55 55 ALA CA C 55 50.568 50.807 -0.239 1 1 681 . 6 1 1 A 55 55 ALA CB C 55 24.180 21.455 2.725 1 1 682 . 6 1 1 A 55 55 ALA N N 55 126.340 129.355 -3.015 1 1 683 . 6 1 1 A 56 56 GLN H H 56 9.130 9.061 0.069 1 1 684 . 6 1 1 A 56 56 GLN HA H 56 5.030 4.246 0.784 1 1 691 . 6 1 1 A 56 56 GLN C C 56 174.960 175.896 -0.936 1 1 692 . 6 1 1 A 56 56 GLN CA C 56 56.820 58.063 -1.243 1 1 693 . 6 1 1 A 56 56 GLN CB C 56 29.180 29.315 -0.135 1 1 695 . 6 1 1 A 56 56 GLN N N 56 118.540 121.029 -2.489 1 1 697 . 6 1 1 A 57 57 LYS H H 57 7.656 8.026 -0.370 1 1 698 . 6 1 1 A 57 57 LYS HA H 57 4.360 5.084 -0.724 1 1 707 . 6 1 1 A 57 57 LYS C C 57 172.490 175.394 -2.904 1 1 708 . 6 1 1 A 57 57 LYS CA C 57 54.351 55.033 -0.682 1 1 709 . 6 1 1 A 57 57 LYS CB C 57 35.360 35.680 -0.320 1 1 713 . 6 1 1 A 57 57 LYS N N 57 116.270 114.942 1.328 1 1 714 . 6 1 1 A 58 58 ASN H H 58 7.709 8.427 -0.718 1 1 715 . 6 1 1 A 58 58 ASN HA H 58 4.000 5.327 -1.327 1 1 720 . 6 1 1 A 58 58 ASN C C 58 175.490 175.729 -0.239 1 1 721 . 6 1 1 A 58 58 ASN CA C 58 53.498 53.912 -0.414 1 1 722 . 6 1 1 A 58 58 ASN CB C 58 38.538 38.936 -0.398 1 1 723 . 6 1 1 A 58 58 ASN N N 58 117.960 119.353 -1.393 1 1 725 . 6 1 1 A 59 59 LEU H H 59 7.940 8.880 -0.940 1 1 726 . 6 1 1 A 59 59 LEU HA H 59 3.950 5.186 -1.236 1 1 736 . 6 1 1 A 59 59 LEU C C 59 176.410 175.987 0.423 1 1 737 . 6 1 1 A 59 59 LEU CA C 59 54.550 52.506 2.044 1 1 738 . 6 1 1 A 59 59 LEU CB C 59 42.370 45.529 -3.159 1 1 742 . 6 1 1 A 59 59 LEU N N 59 128.190 118.473 9.717 1 1 743 . 6 1 1 A 60 60 ARG H H 60 8.355 8.603 -0.248 1 1 744 . 6 1 1 A 60 60 ARG HA H 60 3.870 4.254 -0.384 1 1 752 . 6 1 1 A 60 60 ARG C C 60 175.350 176.137 -0.787 1 1 753 . 6 1 1 A 60 60 ARG CA C 60 56.695 56.094 0.601 1 1 754 . 6 1 1 A 60 60 ARG CB C 60 31.290 30.385 0.905 1 1 757 . 6 1 1 A 60 60 ARG N N 60 123.759 119.708 4.051 1 1 759 . 6 1 1 A 61 61 LYS H H 61 8.178 8.598 -0.420 1 1 760 . 6 1 1 A 61 61 LYS HA H 61 3.680 4.096 -0.416 1 1 769 . 6 1 1 A 61 61 LYS C C 61 177.290 177.534 -0.244 1 1 770 . 6 1 1 A 61 61 LYS CA C 61 58.733 59.064 -0.331 1 1 771 . 6 1 1 A 61 61 LYS CB C 61 31.564 32.088 -0.524 1 1 775 . 6 1 1 A 61 61 LYS N N 61 125.600 125.402 0.198 1 1 776 . 6 1 1 A 62 62 GLU H H 62 8.949 7.464 1.485 1 1 777 . 6 1 1 A 62 62 GLU HA H 62 3.340 4.460 -1.120 1 1 782 . 6 1 1 A 62 62 GLU C C 62 176.170 176.160 0.010 1 1 783 . 6 1 1 A 62 62 GLU CA C 62 59.156 56.431 2.725 1 1 784 . 6 1 1 A 62 62 GLU CB C 62 28.040 30.297 -2.257 1 1 786 . 6 1 1 A 62 62 GLU N N 62 112.860 116.531 -3.671 1 1 787 . 6 1 1 A 63 63 ALA H H 63 7.604 7.358 0.246 1 1 788 . 6 1 1 A 63 63 ALA HA H 63 4.020 4.885 -0.865 1 1 792 . 6 1 1 A 63 63 ALA C C 63 175.530 175.757 -0.227 1 1 793 . 6 1 1 A 63 63 ALA CA C 63 53.074 50.471 2.603 1 1 794 . 6 1 1 A 63 63 ALA CB C 63 19.323 22.131 -2.808 1 1 795 . 6 1 1 A 63 63 ALA N N 63 122.700 123.290 -0.590 1 1 796 . 6 1 1 A 64 64 PHE H H 64 8.876 9.177 -0.301 1 1 797 . 6 1 1 A 64 64 PHE HA H 64 5.470 5.524 -0.054 1 1 802 . 6 1 1 A 64 64 PHE C C 64 175.480 174.882 0.598 1 1 803 . 6 1 1 A 64 64 PHE CA C 64 56.780 56.204 0.576 1 1 804 . 6 1 1 A 64 64 PHE CB C 64 41.566 41.700 -0.134 1 1 807 . 6 1 1 A 64 64 PHE N N 64 118.670 117.158 1.512 1 1 808 . 6 1 1 A 65 65 LEU H H 65 8.870 9.338 -0.468 1 1 809 . 6 1 1 A 65 65 LEU HA H 65 5.390 5.367 0.023 1 1 819 . 6 1 1 A 65 65 LEU C C 65 176.030 175.705 0.325 1 1 820 . 6 1 1 A 65 65 LEU CA C 65 52.926 53.270 -0.344 1 1 821 . 6 1 1 A 65 65 LEU CB C 65 45.561 42.783 2.778 1 1 825 . 6 1 1 A 65 65 LEU N N 65 118.700 123.784 -5.084 1 1 826 . 6 1 1 A 66 66 ARG H H 66 9.031 9.033 -0.002 1 1 827 . 6 1 1 A 66 66 ARG HA H 66 4.345 5.090 -0.745 1 1 835 . 6 1 1 A 66 66 ARG C C 66 174.220 176.039 -1.819 1 1 836 . 6 1 1 A 66 66 ARG CA C 66 54.957 55.420 -0.463 1 1 837 . 6 1 1 A 66 66 ARG CB C 66 32.885 30.041 2.844 1 1 840 . 6 1 1 A 66 66 ARG N N 66 121.590 124.991 -3.401 1 1 842 . 6 1 1 A 67 67 VAL H H 67 9.359 8.345 1.014 1 1 843 . 6 1 1 A 67 67 VAL HA H 67 4.400 4.731 -0.331 1 1 851 . 6 1 1 A 67 67 VAL C C 67 174.070 174.419 -0.349 1 1 852 . 6 1 1 A 67 67 VAL CA C 67 60.910 61.355 -0.445 1 1 853 . 6 1 1 A 67 67 VAL CB C 67 33.960 33.155 0.805 1 1 856 . 6 1 1 A 67 67 VAL N N 67 126.230 119.776 6.454 1 1 857 . 6 1 1 A 68 68 TYR H H 68 8.710 9.235 -0.525 1 1 858 . 6 1 1 A 68 68 TYR HA H 68 5.070 5.218 -0.148 1 1 865 . 6 1 1 A 68 68 TYR C C 68 175.390 174.629 0.761 1 1 866 . 6 1 1 A 68 68 TYR CA C 68 57.290 56.936 0.354 1 1 867 . 6 1 1 A 68 68 TYR CB C 68 38.690 39.733 -1.043 1 1 872 . 6 1 1 A 68 68 TYR N N 68 125.200 126.279 -1.079 1 1 873 . 6 1 1 A 69 69 HIS H H 69 9.224 8.943 0.281 1 1 874 . 6 1 1 A 69 69 HIS HA H 69 5.200 4.873 0.327 1 1 879 . 6 1 1 A 69 69 HIS C C 69 173.600 174.104 -0.504 1 1 880 . 6 1 1 A 69 69 HIS CA C 69 56.502 57.028 -0.526 1 1 881 . 6 1 1 A 69 69 HIS CB C 69 35.873 30.540 5.333 1 1 884 . 6 1 1 A 69 69 HIS N N 69 124.780 129.124 -4.344 1 1 885 . 6 1 1 A 70 70 SER H H 70 7.425 8.481 -1.056 1 1 886 . 6 1 1 A 70 70 SER HA H 70 4.800 4.728 0.072 1 1 889 . 6 1 1 A 70 70 SER C C 70 173.790 174.098 -0.308 1 1 890 . 6 1 1 A 70 70 SER CA C 70 56.840 57.606 -0.766 1 1 891 . 6 1 1 A 70 70 SER CB C 70 66.500 65.408 1.092 1 1 892 . 6 1 1 A 70 70 SER N N 70 118.910 124.818 -5.908 1 1 893 . 6 1 1 A 71 71 ASP H H 71 9.020 8.804 0.216 1 1 894 . 6 1 1 A 71 71 ASP HA H 71 4.390 4.407 -0.017 1 1 897 . 6 1 1 A 71 71 ASP C C 71 178.030 176.835 1.195 1 1 898 . 6 1 1 A 71 71 ASP CA C 71 57.220 56.715 0.505 1 1 899 . 6 1 1 A 71 71 ASP CB C 71 40.622 40.522 0.100 1 1 900 . 6 1 1 A 71 71 ASP N N 71 123.340 127.094 -3.754 1 1 901 . 6 1 1 A 72 72 LYS H H 72 8.220 7.814 0.406 1 1 902 . 6 1 1 A 72 72 LYS HA H 72 4.123 4.389 -0.266 1 1 911 . 6 1 1 A 72 72 LYS C C 72 177.560 176.928 0.632 1 1 912 . 6 1 1 A 72 72 LYS CA C 72 58.383 56.349 2.034 1 1 913 . 6 1 1 A 72 72 LYS CB C 72 32.778 32.645 0.133 1 1 917 . 6 1 1 A 72 72 LYS N N 72 116.640 115.596 1.044 1 1 918 . 6 1 1 A 73 73 LYS H H 73 7.367 8.003 -0.636 1 1 919 . 6 1 1 A 73 73 LYS HA H 73 4.449 4.648 -0.199 1 1 928 . 6 1 1 A 73 73 LYS C C 73 176.750 176.774 -0.024 1 1 929 . 6 1 1 A 73 73 LYS CA C 73 55.614 55.886 -0.272 1 1 930 . 6 1 1 A 73 73 LYS CB C 73 33.910 35.103 -1.193 1 1 934 . 6 1 1 A 73 73 LYS N N 73 115.780 119.681 -3.901 1 1 935 . 6 1 1 A 74 74 GLY H H 74 8.240 8.753 -0.513 1 1 936 . 6 1 1 A 74 74 GLY HA2 H 74 3.630 3.947 -0.317 1 1 937 . 6 1 1 A 74 74 GLY HA3 H 74 4.240 3.949 0.291 1 1 938 . 6 1 1 A 74 74 GLY C C 74 174.817 173.955 0.862 1 1 939 . 6 1 1 A 74 74 GLY CA C 74 45.075 47.397 -2.322 1 1 940 . 6 1 1 A 74 74 GLY N N 74 110.370 108.522 1.848 1 1 941 . 6 1 1 A 75 75 VAL H H 75 9.140 8.050 1.090 1 1 942 . 6 1 1 A 75 75 VAL HA H 75 4.640 4.918 -0.278 1 1 950 . 6 1 1 A 75 75 VAL C C 75 177.000 175.324 1.676 1 1 951 . 6 1 1 A 75 75 VAL CA C 75 63.550 61.503 2.047 1 1 952 . 6 1 1 A 75 75 VAL CB C 75 32.237 34.279 -2.042 1 1 955 . 6 1 1 A 75 75 VAL N N 75 124.300 122.778 1.522 1 1 956 . 6 1 1 A 76 76 SER H H 76 9.020 9.194 -0.174 1 1 957 . 6 1 1 A 76 76 SER HA H 76 4.640 4.581 0.059 1 1 960 . 6 1 1 A 76 76 SER C C 76 174.250 173.986 0.264 1 1 961 . 6 1 1 A 76 76 SER CA C 76 58.440 59.394 -0.954 1 1 962 . 6 1 1 A 76 76 SER CB C 76 64.550 64.306 0.244 1 1 963 . 6 1 1 A 76 76 SER N N 76 122.490 122.794 -0.304 1 1 964 . 6 1 1 A 77 77 ALA H H 77 7.890 7.580 0.310 1 1 965 . 6 1 1 A 77 77 ALA HA H 77 4.420 4.536 -0.116 1 1 969 . 6 1 1 A 77 77 ALA C C 77 174.430 175.198 -0.768 1 1 970 . 6 1 1 A 77 77 ALA CA C 77 51.940 51.502 0.438 1 1 971 . 6 1 1 A 77 77 ALA CB C 77 22.234 22.353 -0.119 1 1 972 . 6 1 1 A 77 77 ALA N N 77 122.930 120.113 2.817 1 1 973 . 6 1 1 A 78 78 TRP H H 78 7.776 8.305 -0.529 1 1 974 . 6 1 1 A 78 78 TRP HA H 78 5.690 5.549 0.141 1 1 982 . 6 1 1 A 78 78 TRP C C 78 174.450 172.952 1.498 1 1 983 . 6 1 1 A 78 78 TRP CA C 78 55.899 55.566 0.333 1 1 984 . 6 1 1 A 78 78 TRP CB C 78 32.602 32.102 0.500 1 1 989 . 6 1 1 A 78 78 TRP N N 78 114.705 116.632 -1.927 1 1 991 . 6 1 1 A 79 79 GLU H H 79 9.210 8.968 0.242 1 1 992 . 6 1 1 A 79 79 GLU HA H 79 4.730 5.060 -0.330 1 1 997 . 6 1 1 A 79 79 GLU C C 79 174.130 174.463 -0.333 1 1 998 . 6 1 1 A 79 79 GLU CA C 79 54.939 54.863 0.076 1 1 999 . 6 1 1 A 79 79 GLU CB C 79 31.656 32.944 -1.288 1 1 1001 . 6 1 1 A 79 79 GLU N N 79 114.860 120.540 -5.680 1 1 1002 . 6 1 1 A 80 80 GLU H H 80 9.120 8.817 0.303 1 1 1003 . 6 1 1 A 80 80 GLU HA H 80 5.030 4.893 0.137 1 1 1008 . 6 1 1 A 80 80 GLU C C 80 176.580 176.088 0.492 1 1 1009 . 6 1 1 A 80 80 GLU CA C 80 57.193 55.018 2.175 1 1 1010 . 6 1 1 A 80 80 GLU CB C 80 29.856 30.973 -1.117 1 1 1012 . 6 1 1 A 80 80 GLU N N 80 123.960 123.296 0.664 1 1 1013 . 6 1 1 A 81 81 VAL H H 81 8.694 9.352 -0.658 1 1 1014 . 6 1 1 A 81 81 VAL HA H 81 4.780 5.094 -0.314 1 1 1022 . 6 1 1 A 81 81 VAL C C 81 174.460 175.517 -1.057 1 1 1023 . 6 1 1 A 81 81 VAL CA C 81 58.927 59.264 -0.337 1 1 1024 . 6 1 1 A 81 81 VAL CB C 81 35.550 35.240 0.310 1 1 1027 . 6 1 1 A 81 81 VAL N N 81 118.990 121.365 -2.375 1 1 1028 . 6 1 1 A 82 82 LYS H H 82 8.708 8.316 0.392 1 1 1029 . 6 1 1 A 82 82 LYS HA H 82 4.580 4.779 -0.199 1 1 1038 . 6 1 1 A 82 82 LYS C C 82 178.380 177.756 0.624 1 1 1039 . 6 1 1 A 82 82 LYS CA C 82 55.212 54.762 0.450 1 1 1040 . 6 1 1 A 82 82 LYS CB C 82 33.689 34.501 -0.812 1 1 1044 . 6 1 1 A 82 82 LYS N N 82 120.850 121.036 -0.186 1 1 1045 . 6 1 1 A 83 83 LYS H H 83 8.870 9.022 -0.152 1 1 1046 . 6 1 1 A 83 83 LYS HA H 83 3.180 3.572 -0.392 1 1 1055 . 6 1 1 A 83 83 LYS C C 83 177.690 176.982 0.708 1 1 1056 . 6 1 1 A 83 83 LYS CA C 83 59.370 58.538 0.832 1 1 1057 . 6 1 1 A 83 83 LYS CB C 83 32.209 31.949 0.260 1 1 1061 . 6 1 1 A 83 83 LYS N N 83 121.435 121.133 0.302 1 1 1062 . 6 1 1 A 84 84 ASP H H 84 8.059 8.938 -0.879 1 1 1063 . 6 1 1 A 84 84 ASP HA H 84 4.220 4.361 -0.141 1 1 1066 . 6 1 1 A 84 84 ASP C C 84 177.100 176.836 0.264 1 1 1067 . 6 1 1 A 84 84 ASP CA C 84 55.680 55.203 0.477 1 1 1068 . 6 1 1 A 84 84 ASP CB C 84 40.392 39.223 1.169 1 1 1069 . 6 1 1 A 84 84 ASP N N 84 112.520 119.692 -7.172 1 1 1070 . 6 1 1 A 85 85 GLU H H 85 7.686 7.427 0.259 1 1 1071 . 6 1 1 A 85 85 GLU HA H 85 4.136 4.430 -0.294 1 1 1076 . 6 1 1 A 85 85 GLU C C 85 176.270 176.210 0.060 1 1 1077 . 6 1 1 A 85 85 GLU CA C 85 56.133 56.420 -0.287 1 1 1078 . 6 1 1 A 85 85 GLU CB C 85 30.479 30.026 0.453 1 1 1080 . 6 1 1 A 85 85 GLU N N 85 116.930 117.631 -0.701 1 1 1081 . 6 1 1 A 86 86 LEU H H 86 7.017 7.238 -0.221 1 1 1082 . 6 1 1 A 86 86 LEU HA H 86 3.710 4.345 -0.635 1 1 1092 . 6 1 1 A 86 86 LEU CA C 86 52.600 51.822 0.778 1 1 1093 . 6 1 1 A 86 86 LEU CB C 86 42.120 41.640 0.480 1 1 1097 . 6 1 1 A 86 86 LEU N N 86 119.530 122.677 -3.147 1 1 1098 . 6 1 1 A 87 87 PRO HA H 87 4.330 4.472 -0.142 1 1 1105 . 6 1 1 A 87 87 PRO C C 87 176.940 177.552 -0.612 1 1 1106 . 6 1 1 A 87 87 PRO CA C 87 62.400 62.854 -0.454 1 1 1107 . 6 1 1 A 87 87 PRO CB C 87 32.537 32.615 -0.078 1 1 1110 . 6 1 1 A 88 88 ALA H H 88 8.943 8.676 0.267 1 1 1111 . 6 1 1 A 88 88 ALA HA H 88 3.780 4.011 -0.231 1 1 1115 . 6 1 1 A 88 88 ALA C C 88 180.520 179.790 0.730 1 1 1116 . 6 1 1 A 88 88 ALA CA C 88 56.911 55.240 1.671 1 1 1117 . 6 1 1 A 88 88 ALA CB C 88 18.502 18.162 0.340 1 1 1118 . 6 1 1 A 88 88 ALA N N 88 128.160 126.910 1.250 1 1 1119 . 6 1 1 A 89 89 LYS H H 89 9.270 7.964 1.306 1 1 1120 . 6 1 1 A 89 89 LYS HA H 89 3.990 4.110 -0.120 1 1 1129 . 6 1 1 A 89 89 LYS C C 89 179.070 179.083 -0.013 1 1 1130 . 6 1 1 A 89 89 LYS CA C 89 58.648 58.305 0.343 1 1 1131 . 6 1 1 A 89 89 LYS CB C 89 31.962 31.987 -0.025 1 1 1135 . 6 1 1 A 89 89 LYS N N 89 115.610 117.505 -1.895 1 1 1136 . 6 1 1 A 90 90 VAL H H 90 6.846 7.927 -1.081 1 1 1137 . 6 1 1 A 90 90 VAL HA H 90 3.230 3.423 -0.193 1 1 1145 . 6 1 1 A 90 90 VAL C C 90 177.100 178.168 -1.068 1 1 1146 . 6 1 1 A 90 90 VAL CA C 90 65.870 66.889 -1.019 1 1 1147 . 6 1 1 A 90 90 VAL CB C 90 30.880 31.543 -0.663 1 1 1150 . 6 1 1 A 90 90 VAL N N 90 117.560 120.089 -2.529 1 1 1151 . 6 1 1 A 91 91 LYS H H 91 7.850 7.887 -0.037 1 1 1152 . 6 1 1 A 91 91 LYS HA H 91 3.430 4.070 -0.640 1 1 1161 . 6 1 1 A 91 91 LYS C C 91 178.420 179.425 -1.005 1 1 1162 . 6 1 1 A 91 91 LYS CA C 91 61.028 58.820 2.208 1 1 1163 . 6 1 1 A 91 91 LYS CB C 91 32.387 31.905 0.482 1 1 1167 . 6 1 1 A 91 91 LYS N N 91 118.750 120.117 -1.367 1 1 1168 . 6 1 1 A 92 92 GLU H H 92 7.282 8.156 -0.874 1 1 1169 . 6 1 1 A 92 92 GLU HA H 92 3.990 4.138 -0.148 1 1 1174 . 6 1 1 A 92 92 GLU C C 92 179.380 178.138 1.242 1 1 1175 . 6 1 1 A 92 92 GLU CA C 92 59.030 58.897 0.133 1 1 1176 . 6 1 1 A 92 92 GLU CB C 92 29.841 29.360 0.481 1 1 1178 . 6 1 1 A 92 92 GLU N N 92 115.375 118.846 -3.471 1 1 1179 . 6 1 1 A 93 93 LYS H H 93 7.343 7.469 -0.126 1 1 1180 . 6 1 1 A 93 93 LYS HA H 93 3.800 4.503 -0.703 1 1 1189 . 6 1 1 A 93 93 LYS C C 93 178.310 175.518 2.792 1 1 1190 . 6 1 1 A 93 93 LYS CA C 93 56.970 56.887 0.083 1 1 1191 . 6 1 1 A 93 93 LYS CB C 93 30.740 33.557 -2.817 1 1 1195 . 6 1 1 A 93 93 LYS N N 93 118.370 115.383 2.987 1 1 1196 . 6 1 1 A 94 94 LEU H H 94 8.000 7.615 0.385 1 1 1197 . 6 1 1 A 94 94 LEU HA H 94 4.360 4.684 -0.324 1 1 1207 . 6 1 1 A 94 94 LEU C C 94 177.350 176.210 1.140 1 1 1208 . 6 1 1 A 94 94 LEU CA C 94 54.765 53.216 1.549 1 1 1209 . 6 1 1 A 94 94 LEU CB C 94 42.796 43.908 -1.112 1 1 1213 . 6 1 1 A 94 94 LEU N N 94 115.600 120.911 -5.311 1 1 1214 . 6 1 1 A 95 95 GLY H H 95 7.601 8.650 -1.049 1 1 1215 . 6 1 1 A 95 95 GLY HA2 H 95 3.830 3.940 -0.110 1 1 1216 . 6 1 1 A 95 95 GLY HA3 H 95 3.950 3.946 0.004 1 1 1217 . 6 1 1 A 95 95 GLY C C 95 174.790 175.040 -0.250 1 1 1218 . 6 1 1 A 95 95 GLY CA C 95 46.550 46.716 -0.166 1 1 1219 . 6 1 1 A 95 95 GLY N N 95 108.540 113.980 -5.440 1 1 1220 . 6 1 1 A 96 96 VAL H H 96 7.957 8.142 -0.185 1 1 1221 . 6 1 1 A 96 96 VAL HA H 96 3.940 3.908 0.032 1 1 1229 . 6 1 1 A 96 96 VAL C C 96 175.540 175.866 -0.326 1 1 1230 . 6 1 1 A 96 96 VAL CA C 96 62.314 62.520 -0.206 1 1 1231 . 6 1 1 A 96 96 VAL CB C 96 32.155 31.758 0.397 1 1 1234 . 6 1 1 A 96 96 VAL N N 96 119.490 120.634 -1.144 1 1 1235 . 6 1 1 A 97 97 LYS H H 97 8.293 8.531 -0.238 1 1 1236 . 6 1 1 A 97 97 LYS HA H 97 4.210 5.041 -0.831 1 1 1245 . 6 1 1 A 97 97 LYS C C 97 176.290 175.279 1.011 1 1 1246 . 6 1 1 A 97 97 LYS CA C 97 56.174 55.020 1.154 1 1 1247 . 6 1 1 A 97 97 LYS CB C 97 33.200 34.984 -1.784 1 1 1251 . 6 1 1 A 97 97 LYS N N 97 126.120 127.306 -1.186 1 1 1252 . 6 1 1 A 98 98 LEU H H 98 8.315 8.349 -0.034 1 1 1253 . 6 1 1 A 98 98 LEU HA H 98 4.240 4.355 -0.115 1 1 1263 . 6 1 1 A 98 98 LEU C C 98 176.930 176.064 0.866 1 1 1264 . 6 1 1 A 98 98 LEU CA C 98 54.800 54.691 0.109 1 1 1265 . 6 1 1 A 98 98 LEU CB C 98 42.217 42.222 -0.005 1 1 1269 . 6 1 1 A 98 98 LEU N N 98 124.170 124.966 -0.796 1 1 1270 . 6 1 1 A 99 99 GLU H H 99 8.375 8.473 -0.098 1 1 1271 . 6 1 1 A 99 99 GLU HA H 99 4.175 4.517 -0.342 1 1 1276 . 6 1 1 A 99 99 GLU C C 99 176.035 177.110 -1.075 1 1 1277 . 6 1 1 A 99 99 GLU CA C 99 56.352 56.848 -0.496 1 1 1278 . 6 1 1 A 99 99 GLU CB C 99 30.460 32.389 -1.929 1 1 1280 . 6 1 1 A 99 99 GLU N N 99 122.010 126.171 -4.161 1 1 1281 . 6 1 1 A 100 100 HIS H H 100 8.350 7.941 0.409 1 1 1282 . 6 1 1 A 100 100 HIS HA H 100 4.565 4.508 0.057 1 1 1285 . 6 1 1 A 100 100 HIS C C 100 173.880 176.734 -2.854 1 1 1286 . 6 1 1 A 100 100 HIS CA C 100 56.050 58.380 -2.330 1 1 1287 . 6 1 1 A 100 100 HIS CB C 100 30.144 28.382 1.762 1 1 1288 . 6 1 1 A 100 100 HIS N N 100 120.245 117.561 2.684 1 1 1289 . 6 1 1 A 101 101 HIS H H 101 8.134 8.883 -0.749 1 1 1290 . 6 1 1 A 101 101 HIS HA H 101 4.410 4.328 0.082 1 1 1293 . 6 1 1 A 101 101 HIS CA C 101 57.290 58.050 -0.760 1 1 1294 . 6 1 1 A 101 101 HIS CB C 101 31.450 29.968 1.482 1 1 1 . 7 1 1 A 2 2 ASP HA H 2 4.670 4.927 -0.257 1 1 4 . 7 1 1 A 2 2 ASP C C 2 176.480 176.097 0.383 1 1 5 . 7 1 1 A 2 2 ASP CA C 2 53.400 54.005 -0.605 1 1 6 . 7 1 1 A 2 2 ASP CB C 2 41.170 40.766 0.404 1 1 7 . 7 1 1 A 3 3 LEU H H 3 8.650 8.633 0.017 1 1 8 . 7 1 1 A 3 3 LEU HA H 3 4.116 4.252 -0.136 1 1 18 . 7 1 1 A 3 3 LEU C C 3 177.880 178.081 -0.201 1 1 19 . 7 1 1 A 3 3 LEU CA C 3 56.390 55.802 0.588 1 1 20 . 7 1 1 A 3 3 LEU CB C 3 41.660 41.840 -0.180 1 1 24 . 7 1 1 A 3 3 LEU N N 3 125.300 126.373 -1.073 1 1 25 . 7 1 1 A 4 4 ASN H H 4 8.370 8.066 0.304 1 1 26 . 7 1 1 A 4 4 ASN HA H 4 4.490 4.464 0.026 1 1 31 . 7 1 1 A 4 4 ASN C C 4 175.050 176.947 -1.897 1 1 32 . 7 1 1 A 4 4 ASN CA C 4 54.320 56.548 -2.228 1 1 33 . 7 1 1 A 4 4 ASN CB C 4 38.240 37.838 0.402 1 1 34 . 7 1 1 A 4 4 ASN N N 4 116.550 117.482 -0.932 1 1 36 . 7 1 1 A 5 5 ARG H H 5 7.645 8.038 -0.393 1 1 37 . 7 1 1 A 5 5 ARG HA H 5 3.920 4.368 -0.448 1 1 45 . 7 1 1 A 5 5 ARG C C 5 176.030 175.546 0.484 1 1 46 . 7 1 1 A 5 5 ARG CA C 5 56.180 56.461 -0.281 1 1 47 . 7 1 1 A 5 5 ARG CB C 5 31.570 29.952 1.618 1 1 50 . 7 1 1 A 5 5 ARG N N 5 118.590 114.609 3.981 1 1 52 . 7 1 1 A 6 6 MET H H 6 7.809 7.617 0.192 1 1 53 . 7 1 1 A 6 6 MET HA H 6 4.355 4.925 -0.570 1 1 58 . 7 1 1 A 6 6 MET C C 6 176.940 176.262 0.678 1 1 59 . 7 1 1 A 6 6 MET CA C 6 56.290 54.620 1.670 1 1 60 . 7 1 1 A 6 6 MET CB C 6 33.020 34.874 -1.854 1 1 62 . 7 1 1 A 6 6 MET N N 6 120.180 118.583 1.597 1 1 63 . 7 1 1 A 7 7 GLY H H 7 8.906 8.381 0.525 1 1 64 . 7 1 1 A 7 7 GLY HA2 H 7 3.870 4.226 -0.356 1 1 65 . 7 1 1 A 7 7 GLY HA3 H 7 3.950 4.227 -0.277 1 1 66 . 7 1 1 A 7 7 GLY C C 7 174.280 172.011 2.269 1 1 67 . 7 1 1 A 7 7 GLY CA C 7 46.110 46.133 -0.023 1 1 68 . 7 1 1 A 7 7 GLY N N 7 112.660 108.848 3.812 1 1 69 . 7 1 1 A 8 8 LYS H H 8 7.819 8.568 -0.749 1 1 70 . 7 1 1 A 8 8 LYS HA H 8 4.550 5.228 -0.678 1 1 79 . 7 1 1 A 8 8 LYS C C 8 176.060 174.216 1.844 1 1 80 . 7 1 1 A 8 8 LYS CA C 8 54.444 54.494 -0.050 1 1 81 . 7 1 1 A 8 8 LYS CB C 8 33.760 35.311 -1.551 1 1 85 . 7 1 1 A 8 8 LYS N N 8 119.130 120.570 -1.440 1 1 86 . 7 1 1 A 9 9 ASP H H 9 8.790 8.924 -0.134 1 1 87 . 7 1 1 A 9 9 ASP HA H 9 4.730 5.083 -0.353 1 1 90 . 7 1 1 A 9 9 ASP C C 9 174.530 173.962 0.568 1 1 91 . 7 1 1 A 9 9 ASP CA C 9 54.560 52.641 1.919 1 1 92 . 7 1 1 A 9 9 ASP CB C 9 42.530 43.941 -1.411 1 1 93 . 7 1 1 A 9 9 ASP N N 9 121.550 123.473 -1.923 1 1 94 . 7 1 1 A 10 10 GLU H H 10 7.950 8.601 -0.651 1 1 95 . 7 1 1 A 10 10 GLU HA H 10 4.570 4.776 -0.206 1 1 100 . 7 1 1 A 10 10 GLU C C 10 174.080 174.292 -0.212 1 1 101 . 7 1 1 A 10 10 GLU CA C 10 54.640 54.912 -0.272 1 1 102 . 7 1 1 A 10 10 GLU CB C 10 31.380 30.646 0.734 1 1 104 . 7 1 1 A 10 10 GLU N N 10 119.640 118.607 1.033 1 1 105 . 7 1 1 A 11 11 TYR H H 11 8.767 8.774 -0.007 1 1 106 . 7 1 1 A 11 11 TYR HA H 11 4.555 5.019 -0.464 1 1 113 . 7 1 1 A 11 11 TYR C C 11 173.480 174.805 -1.325 1 1 114 . 7 1 1 A 11 11 TYR CA C 11 56.360 56.554 -0.194 1 1 115 . 7 1 1 A 11 11 TYR CB C 11 43.860 39.851 4.009 1 1 120 . 7 1 1 A 11 11 TYR N N 11 120.960 125.340 -4.380 1 1 121 . 7 1 1 A 12 12 TYR H H 12 9.290 9.112 0.178 1 1 122 . 7 1 1 A 12 12 TYR HA H 12 5.730 5.007 0.723 1 1 129 . 7 1 1 A 12 12 TYR C C 12 175.700 175.516 0.184 1 1 130 . 7 1 1 A 12 12 TYR CA C 12 56.680 57.978 -1.298 1 1 131 . 7 1 1 A 12 12 TYR CB C 12 42.180 37.960 4.220 1 1 136 . 7 1 1 A 12 12 TYR N N 12 118.880 124.142 -5.262 1 1 137 . 7 1 1 A 13 13 VAL H H 13 8.670 8.881 -0.211 1 1 138 . 7 1 1 A 13 13 VAL HA H 13 5.050 4.967 0.083 1 1 146 . 7 1 1 A 13 13 VAL C C 13 174.820 174.089 0.731 1 1 147 . 7 1 1 A 13 13 VAL CA C 13 58.130 59.786 -1.656 1 1 148 . 7 1 1 A 13 13 VAL CB C 13 35.890 34.192 1.698 1 1 151 . 7 1 1 A 13 13 VAL N N 13 112.280 119.223 -6.943 1 1 152 . 7 1 1 A 14 14 GLN H H 14 8.760 8.900 -0.140 1 1 153 . 7 1 1 A 14 14 GLN HA H 14 5.090 4.752 0.338 1 1 160 . 7 1 1 A 14 14 GLN C C 14 175.000 174.822 0.178 1 1 161 . 7 1 1 A 14 14 GLN CA C 14 53.520 54.219 -0.699 1 1 162 . 7 1 1 A 14 14 GLN CB C 14 31.250 31.919 -0.669 1 1 164 . 7 1 1 A 14 14 GLN N N 14 120.910 120.319 0.591 1 1 166 . 7 1 1 A 15 15 ILE H H 15 8.843 8.784 0.059 1 1 167 . 7 1 1 A 15 15 ILE HA H 15 3.900 4.099 -0.199 1 1 177 . 7 1 1 A 15 15 ILE C C 15 177.090 177.106 -0.016 1 1 178 . 7 1 1 A 15 15 ILE CA C 15 59.269 61.713 -2.444 1 1 179 . 7 1 1 A 15 15 ILE CB C 15 34.050 36.759 -2.709 1 1 183 . 7 1 1 A 15 15 ILE N N 15 125.520 126.572 -1.052 1 1 184 . 7 1 1 A 16 16 THR H H 16 7.996 8.306 -0.310 1 1 185 . 7 1 1 A 16 16 THR HA H 16 4.540 4.366 0.174 1 1 190 . 7 1 1 A 16 16 THR C C 16 173.650 174.888 -1.238 1 1 191 . 7 1 1 A 16 16 THR CA C 16 61.180 63.316 -2.136 1 1 192 . 7 1 1 A 16 16 THR CB C 16 69.300 68.778 0.522 1 1 194 . 7 1 1 A 16 16 THR N N 16 118.080 119.672 -1.592 1 1 195 . 7 1 1 A 17 17 VAL H H 17 7.240 7.697 -0.457 1 1 196 . 7 1 1 A 17 17 VAL HA H 17 4.659 4.697 -0.038 1 1 204 . 7 1 1 A 17 17 VAL C C 17 175.135 174.654 0.481 1 1 205 . 7 1 1 A 17 17 VAL CA C 17 58.870 59.933 -1.063 1 1 206 . 7 1 1 A 17 17 VAL CB C 17 36.070 34.197 1.873 1 1 209 . 7 1 1 A 17 17 VAL N N 17 113.230 118.812 -5.582 1 1 210 . 7 1 1 A 18 18 ASP H H 18 8.280 8.563 -0.283 1 1 211 . 7 1 1 A 18 18 ASP HA H 18 5.010 5.250 -0.240 1 1 214 . 7 1 1 A 18 18 ASP C C 18 177.350 175.583 1.767 1 1 215 . 7 1 1 A 18 18 ASP CA C 18 54.765 52.264 2.501 1 1 216 . 7 1 1 A 18 18 ASP CB C 18 42.120 44.496 -2.376 1 1 217 . 7 1 1 A 18 18 ASP N N 18 120.730 124.098 -3.368 1 1 218 . 7 1 1 A 19 19 GLY H H 19 8.951 8.439 0.512 1 1 219 . 7 1 1 A 19 19 GLY HA2 H 19 2.920 3.865 -0.945 1 1 220 . 7 1 1 A 19 19 GLY HA3 H 19 2.978 3.869 -0.891 1 1 221 . 7 1 1 A 19 19 GLY C C 19 172.450 174.671 -2.221 1 1 222 . 7 1 1 A 19 19 GLY CA C 19 45.370 45.603 -0.233 1 1 223 . 7 1 1 A 19 19 GLY N N 19 110.580 110.493 0.087 1 1 224 . 7 1 1 A 20 20 LYS H H 20 8.110 7.602 0.508 1 1 225 . 7 1 1 A 20 20 LYS HA H 20 4.374 4.164 0.210 1 1 234 . 7 1 1 A 20 20 LYS C C 20 175.710 175.448 0.262 1 1 235 . 7 1 1 A 20 20 LYS CA C 20 54.800 55.676 -0.876 1 1 236 . 7 1 1 A 20 20 LYS CB C 20 33.240 31.968 1.272 1 1 240 . 7 1 1 A 20 20 LYS N N 20 124.290 120.568 3.722 1 1 241 . 7 1 1 A 21 21 GLU H H 21 8.710 8.292 0.418 1 1 242 . 7 1 1 A 21 21 GLU HA H 21 3.930 4.725 -0.795 1 1 247 . 7 1 1 A 21 21 GLU C C 21 175.960 176.225 -0.265 1 1 248 . 7 1 1 A 21 21 GLU CA C 21 56.940 56.127 0.813 1 1 249 . 7 1 1 A 21 21 GLU CB C 21 30.439 30.429 0.010 1 1 251 . 7 1 1 A 21 21 GLU N N 21 128.720 124.802 3.918 1 1 252 . 7 1 1 A 22 22 VAL H H 22 8.621 8.452 0.169 1 1 253 . 7 1 1 A 22 22 VAL HA H 22 4.160 4.272 -0.112 1 1 261 . 7 1 1 A 22 22 VAL C C 22 175.210 175.077 0.133 1 1 262 . 7 1 1 A 22 22 VAL CA C 22 61.027 61.837 -0.810 1 1 263 . 7 1 1 A 22 22 VAL CB C 22 34.501 30.809 3.692 1 1 266 . 7 1 1 A 22 22 VAL N N 22 125.340 123.277 2.063 1 1 267 . 7 1 1 A 23 23 HIS H H 23 8.607 8.440 0.167 1 1 268 . 7 1 1 A 23 23 HIS HA H 23 4.820 4.553 0.267 1 1 273 . 7 1 1 A 23 23 HIS C C 23 175.040 175.340 -0.300 1 1 274 . 7 1 1 A 23 23 HIS CA C 23 55.498 54.132 1.366 1 1 275 . 7 1 1 A 23 23 HIS CB C 23 30.660 27.349 3.311 1 1 278 . 7 1 1 A 23 23 HIS N N 23 124.000 127.137 -3.137 1 1 279 . 7 1 1 A 24 24 SER H H 24 8.480 7.883 0.597 1 1 280 . 7 1 1 A 24 24 SER HA H 24 4.480 4.106 0.374 1 1 283 . 7 1 1 A 24 24 SER C C 24 173.860 174.236 -0.376 1 1 284 . 7 1 1 A 24 24 SER CA C 24 57.690 60.638 -2.948 1 1 285 . 7 1 1 A 24 24 SER CB C 24 64.580 63.803 0.777 1 1 286 . 7 1 1 A 24 24 SER N N 24 118.250 116.655 1.595 1 1 287 . 7 1 1 A 25 25 LYS H H 25 8.517 7.699 0.818 1 1 288 . 7 1 1 A 25 25 LYS HA H 25 4.561 3.870 0.691 1 1 297 . 7 1 1 A 25 25 LYS C C 25 176.160 175.568 0.592 1 1 298 . 7 1 1 A 25 25 LYS CA C 25 56.255 57.069 -0.814 1 1 299 . 7 1 1 A 25 25 LYS CB C 25 33.714 30.811 2.903 1 1 303 . 7 1 1 A 25 25 LYS N N 25 122.750 120.159 2.591 1 1 304 . 7 1 1 A 26 26 ALA H H 26 8.468 8.093 0.375 1 1 305 . 7 1 1 A 26 26 ALA HA H 26 4.470 4.453 0.017 1 1 309 . 7 1 1 A 26 26 ALA C C 26 177.950 176.270 1.680 1 1 310 . 7 1 1 A 26 26 ALA CA C 26 51.912 51.544 0.368 1 1 311 . 7 1 1 A 26 26 ALA CB C 26 20.050 17.755 2.295 1 1 312 . 7 1 1 A 26 26 ALA N N 26 125.370 126.319 -0.949 1 1 313 . 7 1 1 A 27 27 ASP H H 27 8.509 8.220 0.289 1 1 314 . 7 1 1 A 27 27 ASP HA H 27 4.460 4.654 -0.194 1 1 317 . 7 1 1 A 27 27 ASP C C 27 176.480 176.333 0.147 1 1 318 . 7 1 1 A 27 27 ASP CA C 27 55.490 54.815 0.675 1 1 319 . 7 1 1 A 27 27 ASP CB C 27 40.771 39.935 0.836 1 1 320 . 7 1 1 A 27 27 ASP N N 27 120.380 124.628 -4.248 1 1 321 . 7 1 1 A 28 28 ASN H H 28 8.193 8.590 -0.397 1 1 322 . 7 1 1 A 28 28 ASN HA H 28 4.620 4.928 -0.308 1 1 327 . 7 1 1 A 28 28 ASN C C 28 176.310 175.693 0.617 1 1 328 . 7 1 1 A 28 28 ASN CA C 28 53.050 53.518 -0.468 1 1 329 . 7 1 1 A 28 28 ASN CB C 28 38.080 41.548 -3.468 1 1 330 . 7 1 1 A 28 28 ASN N N 28 117.470 123.716 -6.246 1 1 332 . 7 1 1 A 29 29 GLY H H 29 8.359 7.481 0.878 1 1 333 . 7 1 1 A 29 29 GLY HA2 H 29 4.110 4.053 0.057 1 1 334 . 7 1 1 A 29 29 GLY HA3 H 29 3.720 4.054 -0.334 1 1 335 . 7 1 1 A 29 29 GLY C C 29 174.365 174.579 -0.214 1 1 336 . 7 1 1 A 29 29 GLY CA C 29 45.688 45.522 0.166 1 1 337 . 7 1 1 A 29 29 GLY N N 29 108.230 107.063 1.167 1 1 338 . 7 1 1 A 30 30 GLN H H 30 7.920 7.873 0.047 1 1 339 . 7 1 1 A 30 30 GLN HA H 30 4.200 4.411 -0.211 1 1 346 . 7 1 1 A 30 30 GLN C C 30 174.330 174.722 -0.392 1 1 347 . 7 1 1 A 30 30 GLN CA C 30 56.210 55.267 0.943 1 1 348 . 7 1 1 A 30 30 GLN CB C 30 29.320 28.315 1.005 1 1 350 . 7 1 1 A 30 30 GLN N N 30 119.670 121.299 -1.629 1 1 352 . 7 1 1 A 31 31 LYS H H 31 8.390 8.631 -0.241 1 1 353 . 7 1 1 A 31 31 LYS HA H 31 4.490 4.582 -0.092 1 1 362 . 7 1 1 A 31 31 LYS C C 31 176.052 175.215 0.837 1 1 363 . 7 1 1 A 31 31 LYS CA C 31 56.417 54.792 1.625 1 1 364 . 7 1 1 A 31 31 LYS CB C 31 33.414 31.501 1.913 1 1 368 . 7 1 1 A 31 31 LYS N N 31 121.950 127.413 -5.463 1 1 369 . 7 1 1 A 32 32 TYR H H 32 8.160 8.696 -0.536 1 1 370 . 7 1 1 A 32 32 TYR HA H 32 4.770 5.598 -0.828 1 1 377 . 7 1 1 A 32 32 TYR C C 32 175.560 174.618 0.942 1 1 378 . 7 1 1 A 32 32 TYR CA C 32 56.300 55.406 0.894 1 1 379 . 7 1 1 A 32 32 TYR CB C 32 40.074 41.595 -1.521 1 1 384 . 7 1 1 A 32 32 TYR N N 32 119.960 122.459 -2.499 1 1 385 . 7 1 1 A 33 33 LYS H H 33 8.397 8.684 -0.287 1 1 386 . 7 1 1 A 33 33 LYS HA H 33 4.610 4.512 0.098 1 1 395 . 7 1 1 A 33 33 LYS C C 33 174.080 174.774 -0.694 1 1 396 . 7 1 1 A 33 33 LYS CA C 33 55.512 54.671 0.841 1 1 397 . 7 1 1 A 33 33 LYS CB C 33 34.570 33.922 0.648 1 1 401 . 7 1 1 A 33 33 LYS N N 33 122.080 120.681 1.399 1 1 402 . 7 1 1 A 34 34 ASP H H 34 8.140 8.931 -0.791 1 1 403 . 7 1 1 A 34 34 ASP HA H 34 5.040 5.158 -0.118 1 1 406 . 7 1 1 A 34 34 ASP C C 34 173.740 174.660 -0.920 1 1 407 . 7 1 1 A 34 34 ASP CA C 34 53.104 52.700 0.404 1 1 408 . 7 1 1 A 34 34 ASP CB C 34 44.290 42.880 1.410 1 1 409 . 7 1 1 A 34 34 ASP N N 34 121.430 124.689 -3.259 1 1 410 . 7 1 1 A 35 35 TYR H H 35 8.849 8.577 0.272 1 1 411 . 7 1 1 A 35 35 TYR HA H 35 4.660 4.841 -0.181 1 1 418 . 7 1 1 A 35 35 TYR C C 35 174.450 174.695 -0.245 1 1 419 . 7 1 1 A 35 35 TYR CA C 35 57.177 57.401 -0.224 1 1 420 . 7 1 1 A 35 35 TYR CB C 35 40.955 38.628 2.327 1 1 425 . 7 1 1 A 35 35 TYR N N 35 116.670 122.400 -5.730 1 1 426 . 7 1 1 A 36 36 GLU H H 36 9.144 8.972 0.172 1 1 427 . 7 1 1 A 36 36 GLU HA H 36 4.615 4.690 -0.075 1 1 432 . 7 1 1 A 36 36 GLU C C 36 175.850 174.619 1.231 1 1 433 . 7 1 1 A 36 36 GLU CA C 36 55.700 55.254 0.446 1 1 434 . 7 1 1 A 36 36 GLU CB C 36 32.541 31.343 1.198 1 1 436 . 7 1 1 A 36 36 GLU N N 36 122.490 125.704 -3.214 1 1 437 . 7 1 1 A 37 37 TYR H H 37 8.598 9.035 -0.437 1 1 438 . 7 1 1 A 37 37 TYR HA H 37 4.090 4.912 -0.822 1 1 445 . 7 1 1 A 37 37 TYR C C 37 174.140 173.839 0.301 1 1 446 . 7 1 1 A 37 37 TYR CA C 37 58.399 56.269 2.130 1 1 447 . 7 1 1 A 37 37 TYR CB C 37 41.690 40.218 1.472 1 1 452 . 7 1 1 A 37 37 TYR N N 37 122.480 126.199 -3.719 1 1 453 . 7 1 1 A 38 38 LYS H H 38 8.410 8.951 -0.541 1 1 454 . 7 1 1 A 38 38 LYS HA H 38 5.080 5.137 -0.057 1 1 463 . 7 1 1 A 38 38 LYS C C 38 174.980 175.669 -0.689 1 1 464 . 7 1 1 A 38 38 LYS CA C 38 56.133 55.048 1.085 1 1 465 . 7 1 1 A 38 38 LYS CB C 38 33.525 34.623 -1.098 1 1 469 . 7 1 1 A 38 38 LYS N N 38 124.250 125.567 -1.317 1 1 470 . 7 1 1 A 39 39 LEU H H 39 8.555 9.067 -0.512 1 1 471 . 7 1 1 A 39 39 LEU HA H 39 4.865 5.053 -0.188 1 1 480 . 7 1 1 A 39 39 LEU C C 39 175.120 174.973 0.147 1 1 481 . 7 1 1 A 39 39 LEU CA C 39 53.316 53.237 0.079 1 1 482 . 7 1 1 A 39 39 LEU CB C 39 47.338 45.834 1.504 1 1 485 . 7 1 1 A 39 39 LEU N N 39 124.840 122.175 2.665 1 1 486 . 7 1 1 A 40 40 THR H H 40 8.615 8.470 0.145 1 1 487 . 7 1 1 A 40 40 THR HA H 40 4.410 5.222 -0.812 1 1 492 . 7 1 1 A 40 40 THR C C 40 173.360 173.957 -0.597 1 1 493 . 7 1 1 A 40 40 THR CA C 40 63.200 60.240 2.960 1 1 494 . 7 1 1 A 40 40 THR CB C 40 69.100 70.731 -1.631 1 1 496 . 7 1 1 A 40 40 THR N N 40 118.390 115.352 3.038 1 1 497 . 7 1 1 A 41 41 GLY H H 41 8.545 8.989 -0.444 1 1 498 . 7 1 1 A 41 41 GLY HA2 H 41 3.030 3.934 -0.904 1 1 499 . 7 1 1 A 41 41 GLY HA3 H 41 4.910 4.116 0.794 1 1 500 . 7 1 1 A 41 41 GLY C C 41 171.375 172.452 -1.077 1 1 501 . 7 1 1 A 41 41 GLY CA C 41 43.963 43.919 0.044 1 1 502 . 7 1 1 A 41 41 GLY N N 41 113.500 114.318 -0.818 1 1 503 . 7 1 1 A 42 42 PHE H H 42 8.650 8.189 0.461 1 1 504 . 7 1 1 A 42 42 PHE HA H 42 5.910 6.142 -0.232 1 1 512 . 7 1 1 A 42 42 PHE C C 42 176.670 173.175 3.495 1 1 513 . 7 1 1 A 42 42 PHE CA C 42 56.260 55.448 0.812 1 1 514 . 7 1 1 A 42 42 PHE CB C 42 44.750 43.254 1.496 1 1 520 . 7 1 1 A 42 42 PHE N N 42 113.300 117.792 -4.492 1 1 521 . 7 1 1 A 43 43 ASP H H 43 9.040 9.131 -0.091 1 1 522 . 7 1 1 A 43 43 ASP HA H 43 5.100 5.107 -0.007 1 1 525 . 7 1 1 A 43 43 ASP C C 43 177.790 175.947 1.843 1 1 526 . 7 1 1 A 43 43 ASP CA C 43 51.990 53.438 -1.448 1 1 527 . 7 1 1 A 43 43 ASP CB C 43 41.660 44.434 -2.774 1 1 528 . 7 1 1 A 43 43 ASP N N 43 123.450 120.382 3.068 1 1 529 . 7 1 1 A 44 44 LYS H H 44 8.689 8.911 -0.222 1 1 530 . 7 1 1 A 44 44 LYS HA H 44 3.920 4.161 -0.241 1 1 539 . 7 1 1 A 44 44 LYS C C 44 175.450 176.268 -0.818 1 1 540 . 7 1 1 A 44 44 LYS CA C 44 58.730 59.113 -0.383 1 1 541 . 7 1 1 A 44 44 LYS CB C 44 31.707 32.026 -0.319 1 1 545 . 7 1 1 A 44 44 LYS N N 44 113.360 124.223 -10.863 1 1 546 . 7 1 1 A 45 45 ASP H H 45 8.178 8.174 0.004 1 1 547 . 7 1 1 A 45 45 ASP HA H 45 4.930 4.694 0.236 1 1 550 . 7 1 1 A 45 45 ASP C C 45 176.710 176.817 -0.107 1 1 551 . 7 1 1 A 45 45 ASP CA C 45 54.501 54.048 0.453 1 1 552 . 7 1 1 A 45 45 ASP CB C 45 42.260 41.342 0.918 1 1 553 . 7 1 1 A 45 45 ASP N N 45 119.050 118.598 0.452 1 1 554 . 7 1 1 A 46 46 GLY H H 46 8.853 8.237 0.616 1 1 555 . 7 1 1 A 46 46 GLY HA2 H 46 4.120 3.916 0.204 1 1 556 . 7 1 1 A 46 46 GLY HA3 H 46 3.350 4.018 -0.668 1 1 557 . 7 1 1 A 46 46 GLY C C 46 173.020 174.804 -1.784 1 1 558 . 7 1 1 A 46 46 GLY CA C 46 45.510 45.947 -0.437 1 1 559 . 7 1 1 A 46 46 GLY N N 46 110.250 109.149 1.101 1 1 560 . 7 1 1 A 47 47 LYS H H 47 8.640 7.734 0.906 1 1 561 . 7 1 1 A 47 47 LYS HA H 47 4.320 4.318 0.002 1 1 570 . 7 1 1 A 47 47 LYS C C 47 176.180 175.900 0.280 1 1 571 . 7 1 1 A 47 47 LYS CA C 47 57.200 56.333 0.867 1 1 572 . 7 1 1 A 47 47 LYS CB C 47 32.300 33.811 -1.511 1 1 576 . 7 1 1 A 47 47 LYS N N 47 123.450 120.196 3.254 1 1 577 . 7 1 1 A 48 48 GLU H H 48 8.510 8.532 -0.022 1 1 578 . 7 1 1 A 48 48 GLU HA H 48 4.914 4.679 0.235 1 1 583 . 7 1 1 A 48 48 GLU C C 48 176.545 174.801 1.744 1 1 584 . 7 1 1 A 48 48 GLU CA C 48 55.540 55.784 -0.244 1 1 585 . 7 1 1 A 48 48 GLU CB C 48 32.850 30.240 2.610 1 1 587 . 7 1 1 A 48 48 GLU N N 48 123.300 122.764 0.536 1 1 588 . 7 1 1 A 49 49 LYS H H 49 8.304 8.796 -0.492 1 1 589 . 7 1 1 A 49 49 LYS HA H 49 4.080 4.763 -0.683 1 1 598 . 7 1 1 A 49 49 LYS C C 49 173.870 176.240 -2.370 1 1 599 . 7 1 1 A 49 49 LYS CA C 49 54.797 54.648 0.149 1 1 600 . 7 1 1 A 49 49 LYS CB C 49 36.248 33.827 2.421 1 1 604 . 7 1 1 A 49 49 LYS N N 49 123.450 126.614 -3.164 1 1 605 . 7 1 1 A 50 50 GLU H H 50 8.377 8.561 -0.184 1 1 606 . 7 1 1 A 50 50 GLU HA H 50 4.298 4.916 -0.618 1 1 611 . 7 1 1 A 50 50 GLU C C 50 175.090 175.519 -0.429 1 1 612 . 7 1 1 A 50 50 GLU CA C 50 56.950 55.311 1.639 1 1 613 . 7 1 1 A 50 50 GLU CB C 50 29.872 30.779 -0.907 1 1 615 . 7 1 1 A 50 50 GLU N N 50 127.100 123.893 3.207 1 1 616 . 7 1 1 A 51 51 LEU H H 51 8.934 9.037 -0.103 1 1 617 . 7 1 1 A 51 51 LEU HA H 51 4.517 5.115 -0.598 1 1 627 . 7 1 1 A 51 51 LEU C C 51 174.890 175.335 -0.445 1 1 628 . 7 1 1 A 51 51 LEU CA C 51 53.817 53.703 0.114 1 1 629 . 7 1 1 A 51 51 LEU CB C 51 45.254 46.406 -1.152 1 1 633 . 7 1 1 A 51 51 LEU N N 51 127.790 123.835 3.955 1 1 634 . 7 1 1 A 52 52 GLU H H 52 8.360 9.112 -0.752 1 1 635 . 7 1 1 A 52 52 GLU HA H 52 5.417 5.330 0.087 1 1 640 . 7 1 1 A 52 52 GLU C C 52 174.890 175.361 -0.471 1 1 641 . 7 1 1 A 52 52 GLU CA C 52 54.519 54.764 -0.245 1 1 642 . 7 1 1 A 52 52 GLU CB C 52 32.500 33.249 -0.749 1 1 644 . 7 1 1 A 52 52 GLU N N 52 121.180 120.147 1.033 1 1 645 . 7 1 1 A 53 53 PHE H H 53 8.465 8.710 -0.245 1 1 646 . 7 1 1 A 53 53 PHE HA H 53 5.130 5.598 -0.468 1 1 654 . 7 1 1 A 53 53 PHE C C 53 172.660 173.465 -0.805 1 1 655 . 7 1 1 A 53 53 PHE CA C 53 56.508 55.646 0.862 1 1 656 . 7 1 1 A 53 53 PHE CB C 53 40.095 42.586 -2.491 1 1 662 . 7 1 1 A 53 53 PHE N N 53 118.940 117.825 1.115 1 1 663 . 7 1 1 A 54 54 THR H H 54 8.622 9.103 -0.481 1 1 664 . 7 1 1 A 54 54 THR HA H 54 5.530 5.352 0.178 1 1 669 . 7 1 1 A 54 54 THR C C 54 173.470 174.137 -0.667 1 1 670 . 7 1 1 A 54 54 THR CA C 54 60.148 60.938 -0.790 1 1 671 . 7 1 1 A 54 54 THR CB C 54 71.820 70.156 1.664 1 1 673 . 7 1 1 A 54 54 THR N N 54 112.280 113.550 -1.270 1 1 674 . 7 1 1 A 55 55 ALA H H 55 9.710 9.167 0.543 1 1 675 . 7 1 1 A 55 55 ALA HA H 55 5.354 5.184 0.170 1 1 679 . 7 1 1 A 55 55 ALA C C 55 176.720 178.466 -1.746 1 1 680 . 7 1 1 A 55 55 ALA CA C 55 50.568 51.244 -0.676 1 1 681 . 7 1 1 A 55 55 ALA CB C 55 24.180 21.101 3.079 1 1 682 . 7 1 1 A 55 55 ALA N N 55 126.340 129.508 -3.168 1 1 683 . 7 1 1 A 56 56 GLN H H 56 9.130 9.045 0.085 1 1 684 . 7 1 1 A 56 56 GLN HA H 56 5.030 4.421 0.609 1 1 691 . 7 1 1 A 56 56 GLN C C 56 174.960 175.653 -0.693 1 1 692 . 7 1 1 A 56 56 GLN CA C 56 56.820 57.753 -0.933 1 1 693 . 7 1 1 A 56 56 GLN CB C 56 29.180 29.546 -0.366 1 1 695 . 7 1 1 A 56 56 GLN N N 56 118.540 121.001 -2.461 1 1 697 . 7 1 1 A 57 57 LYS H H 57 7.656 7.761 -0.105 1 1 698 . 7 1 1 A 57 57 LYS HA H 57 4.360 4.726 -0.366 1 1 707 . 7 1 1 A 57 57 LYS C C 57 172.490 175.545 -3.055 1 1 708 . 7 1 1 A 57 57 LYS CA C 57 54.351 54.545 -0.194 1 1 709 . 7 1 1 A 57 57 LYS CB C 57 35.360 37.341 -1.981 1 1 713 . 7 1 1 A 57 57 LYS N N 57 116.270 117.981 -1.711 1 1 714 . 7 1 1 A 58 58 ASN H H 58 7.709 8.381 -0.672 1 1 715 . 7 1 1 A 58 58 ASN HA H 58 4.000 5.432 -1.432 1 1 720 . 7 1 1 A 58 58 ASN C C 58 175.490 175.492 -0.002 1 1 721 . 7 1 1 A 58 58 ASN CA C 58 53.498 52.522 0.976 1 1 722 . 7 1 1 A 58 58 ASN CB C 58 38.538 38.537 0.001 1 1 723 . 7 1 1 A 58 58 ASN N N 58 117.960 120.447 -2.487 1 1 725 . 7 1 1 A 59 59 LEU H H 59 7.940 8.146 -0.206 1 1 726 . 7 1 1 A 59 59 LEU HA H 59 3.950 4.427 -0.477 1 1 736 . 7 1 1 A 59 59 LEU C C 59 176.410 176.178 0.232 1 1 737 . 7 1 1 A 59 59 LEU CA C 59 54.550 53.672 0.878 1 1 738 . 7 1 1 A 59 59 LEU CB C 59 42.370 43.596 -1.226 1 1 742 . 7 1 1 A 59 59 LEU N N 59 128.190 122.583 5.607 1 1 743 . 7 1 1 A 60 60 ARG H H 60 8.355 8.240 0.115 1 1 744 . 7 1 1 A 60 60 ARG HA H 60 3.870 4.655 -0.785 1 1 752 . 7 1 1 A 60 60 ARG C C 60 175.350 176.211 -0.861 1 1 753 . 7 1 1 A 60 60 ARG CA C 60 56.695 54.578 2.117 1 1 754 . 7 1 1 A 60 60 ARG CB C 60 31.290 32.619 -1.329 1 1 757 . 7 1 1 A 60 60 ARG N N 60 123.759 119.241 4.518 1 1 759 . 7 1 1 A 61 61 LYS H H 61 8.178 8.596 -0.418 1 1 760 . 7 1 1 A 61 61 LYS HA H 61 3.680 4.521 -0.841 1 1 769 . 7 1 1 A 61 61 LYS C C 61 177.290 175.877 1.413 1 1 770 . 7 1 1 A 61 61 LYS CA C 61 58.733 54.875 3.858 1 1 771 . 7 1 1 A 61 61 LYS CB C 61 31.564 33.318 -1.754 1 1 775 . 7 1 1 A 61 61 LYS N N 61 125.600 121.877 3.723 1 1 776 . 7 1 1 A 62 62 GLU H H 62 8.949 8.844 0.105 1 1 777 . 7 1 1 A 62 62 GLU HA H 62 3.340 3.866 -0.526 1 1 782 . 7 1 1 A 62 62 GLU C C 62 176.170 175.224 0.946 1 1 783 . 7 1 1 A 62 62 GLU CA C 62 59.156 57.733 1.423 1 1 784 . 7 1 1 A 62 62 GLU CB C 62 28.040 27.908 0.132 1 1 786 . 7 1 1 A 62 62 GLU N N 62 112.860 116.587 -3.727 1 1 787 . 7 1 1 A 63 63 ALA H H 63 7.604 7.278 0.326 1 1 788 . 7 1 1 A 63 63 ALA HA H 63 4.020 5.061 -1.041 1 1 792 . 7 1 1 A 63 63 ALA C C 63 175.530 175.277 0.253 1 1 793 . 7 1 1 A 63 63 ALA CA C 63 53.074 50.785 2.289 1 1 794 . 7 1 1 A 63 63 ALA CB C 63 19.323 23.345 -4.022 1 1 795 . 7 1 1 A 63 63 ALA N N 63 122.700 120.131 2.569 1 1 796 . 7 1 1 A 64 64 PHE H H 64 8.876 8.356 0.520 1 1 797 . 7 1 1 A 64 64 PHE HA H 64 5.470 5.324 0.146 1 1 802 . 7 1 1 A 64 64 PHE C C 64 175.480 175.423 0.057 1 1 803 . 7 1 1 A 64 64 PHE CA C 64 56.780 56.360 0.420 1 1 804 . 7 1 1 A 64 64 PHE CB C 64 41.566 44.015 -2.449 1 1 807 . 7 1 1 A 64 64 PHE N N 64 118.670 115.897 2.773 1 1 808 . 7 1 1 A 65 65 LEU H H 65 8.870 8.734 0.136 1 1 809 . 7 1 1 A 65 65 LEU HA H 65 5.390 5.478 -0.088 1 1 819 . 7 1 1 A 65 65 LEU C C 65 176.030 175.592 0.438 1 1 820 . 7 1 1 A 65 65 LEU CA C 65 52.926 53.456 -0.530 1 1 821 . 7 1 1 A 65 65 LEU CB C 65 45.561 45.468 0.093 1 1 825 . 7 1 1 A 65 65 LEU N N 65 118.700 121.386 -2.686 1 1 826 . 7 1 1 A 66 66 ARG H H 66 9.031 8.500 0.531 1 1 827 . 7 1 1 A 66 66 ARG HA H 66 4.345 4.411 -0.066 1 1 835 . 7 1 1 A 66 66 ARG C C 66 174.220 174.818 -0.598 1 1 836 . 7 1 1 A 66 66 ARG CA C 66 54.957 55.737 -0.780 1 1 837 . 7 1 1 A 66 66 ARG CB C 66 32.885 30.342 2.543 1 1 840 . 7 1 1 A 66 66 ARG N N 66 121.590 123.144 -1.554 1 1 842 . 7 1 1 A 67 67 VAL H H 67 9.359 8.396 0.963 1 1 843 . 7 1 1 A 67 67 VAL HA H 67 4.400 4.378 0.022 1 1 851 . 7 1 1 A 67 67 VAL C C 67 174.070 174.594 -0.524 1 1 852 . 7 1 1 A 67 67 VAL CA C 67 60.910 61.927 -1.017 1 1 853 . 7 1 1 A 67 67 VAL CB C 67 33.960 32.554 1.406 1 1 856 . 7 1 1 A 67 67 VAL N N 67 126.230 125.481 0.749 1 1 857 . 7 1 1 A 68 68 TYR H H 68 8.710 9.125 -0.415 1 1 858 . 7 1 1 A 68 68 TYR HA H 68 5.070 4.743 0.327 1 1 865 . 7 1 1 A 68 68 TYR C C 68 175.390 174.520 0.870 1 1 866 . 7 1 1 A 68 68 TYR CA C 68 57.290 56.832 0.458 1 1 867 . 7 1 1 A 68 68 TYR CB C 68 38.690 38.944 -0.254 1 1 872 . 7 1 1 A 68 68 TYR N N 68 125.200 127.852 -2.652 1 1 873 . 7 1 1 A 69 69 HIS H H 69 9.224 8.917 0.307 1 1 874 . 7 1 1 A 69 69 HIS HA H 69 5.200 4.815 0.385 1 1 879 . 7 1 1 A 69 69 HIS C C 69 173.600 173.950 -0.350 1 1 880 . 7 1 1 A 69 69 HIS CA C 69 56.502 55.628 0.874 1 1 881 . 7 1 1 A 69 69 HIS CB C 69 35.873 29.425 6.448 1 1 884 . 7 1 1 A 69 69 HIS N N 69 124.780 129.222 -4.442 1 1 885 . 7 1 1 A 70 70 SER H H 70 7.425 8.360 -0.935 1 1 886 . 7 1 1 A 70 70 SER HA H 70 4.800 5.023 -0.223 1 1 889 . 7 1 1 A 70 70 SER C C 70 173.790 174.416 -0.626 1 1 890 . 7 1 1 A 70 70 SER CA C 70 56.840 56.710 0.130 1 1 891 . 7 1 1 A 70 70 SER CB C 70 66.500 64.870 1.630 1 1 892 . 7 1 1 A 70 70 SER N N 70 118.910 120.301 -1.391 1 1 893 . 7 1 1 A 71 71 ASP H H 71 9.020 8.861 0.159 1 1 894 . 7 1 1 A 71 71 ASP HA H 71 4.390 4.541 -0.151 1 1 897 . 7 1 1 A 71 71 ASP C C 71 178.030 177.411 0.619 1 1 898 . 7 1 1 A 71 71 ASP CA C 71 57.220 56.017 1.203 1 1 899 . 7 1 1 A 71 71 ASP CB C 71 40.622 40.318 0.304 1 1 900 . 7 1 1 A 71 71 ASP N N 71 123.340 126.182 -2.842 1 1 901 . 7 1 1 A 72 72 LYS H H 72 8.220 7.830 0.390 1 1 902 . 7 1 1 A 72 72 LYS HA H 72 4.123 4.190 -0.067 1 1 911 . 7 1 1 A 72 72 LYS C C 72 177.560 177.374 0.186 1 1 912 . 7 1 1 A 72 72 LYS CA C 72 58.383 58.749 -0.366 1 1 913 . 7 1 1 A 72 72 LYS CB C 72 32.778 32.988 -0.210 1 1 917 . 7 1 1 A 72 72 LYS N N 72 116.640 118.967 -2.327 1 1 918 . 7 1 1 A 73 73 LYS H H 73 7.367 8.040 -0.673 1 1 919 . 7 1 1 A 73 73 LYS HA H 73 4.449 4.607 -0.158 1 1 928 . 7 1 1 A 73 73 LYS C C 73 176.750 177.079 -0.329 1 1 929 . 7 1 1 A 73 73 LYS CA C 73 55.614 55.120 0.494 1 1 930 . 7 1 1 A 73 73 LYS CB C 73 33.910 33.811 0.099 1 1 934 . 7 1 1 A 73 73 LYS N N 73 115.780 116.424 -0.644 1 1 935 . 7 1 1 A 74 74 GLY H H 74 8.240 8.454 -0.214 1 1 936 . 7 1 1 A 74 74 GLY HA2 H 74 3.630 4.038 -0.408 1 1 937 . 7 1 1 A 74 74 GLY HA3 H 74 4.240 4.058 0.182 1 1 938 . 7 1 1 A 74 74 GLY C C 74 174.817 173.752 1.065 1 1 939 . 7 1 1 A 74 74 GLY CA C 74 45.075 46.287 -1.212 1 1 940 . 7 1 1 A 74 74 GLY N N 74 110.370 107.802 2.568 1 1 941 . 7 1 1 A 75 75 VAL H H 75 9.140 8.132 1.008 1 1 942 . 7 1 1 A 75 75 VAL HA H 75 4.640 4.994 -0.354 1 1 950 . 7 1 1 A 75 75 VAL C C 75 177.000 175.151 1.849 1 1 951 . 7 1 1 A 75 75 VAL CA C 75 63.550 61.103 2.447 1 1 952 . 7 1 1 A 75 75 VAL CB C 75 32.237 34.848 -2.611 1 1 955 . 7 1 1 A 75 75 VAL N N 75 124.300 120.810 3.490 1 1 956 . 7 1 1 A 76 76 SER H H 76 9.020 8.836 0.184 1 1 957 . 7 1 1 A 76 76 SER HA H 76 4.640 4.576 0.064 1 1 960 . 7 1 1 A 76 76 SER C C 76 174.250 174.012 0.238 1 1 961 . 7 1 1 A 76 76 SER CA C 76 58.440 59.864 -1.424 1 1 962 . 7 1 1 A 76 76 SER CB C 76 64.550 64.423 0.127 1 1 963 . 7 1 1 A 76 76 SER N N 76 122.490 122.195 0.295 1 1 964 . 7 1 1 A 77 77 ALA H H 77 7.890 7.574 0.316 1 1 965 . 7 1 1 A 77 77 ALA HA H 77 4.420 4.539 -0.119 1 1 969 . 7 1 1 A 77 77 ALA C C 77 174.430 175.481 -1.051 1 1 970 . 7 1 1 A 77 77 ALA CA C 77 51.940 51.596 0.344 1 1 971 . 7 1 1 A 77 77 ALA CB C 77 22.234 22.174 0.060 1 1 972 . 7 1 1 A 77 77 ALA N N 77 122.930 119.681 3.249 1 1 973 . 7 1 1 A 78 78 TRP H H 78 7.776 8.342 -0.566 1 1 974 . 7 1 1 A 78 78 TRP HA H 78 5.690 5.524 0.166 1 1 982 . 7 1 1 A 78 78 TRP C C 78 174.450 173.104 1.346 1 1 983 . 7 1 1 A 78 78 TRP CA C 78 55.899 55.719 0.180 1 1 984 . 7 1 1 A 78 78 TRP CB C 78 32.602 31.940 0.662 1 1 989 . 7 1 1 A 78 78 TRP N N 78 114.705 116.146 -1.441 1 1 991 . 7 1 1 A 79 79 GLU H H 79 9.210 8.480 0.730 1 1 992 . 7 1 1 A 79 79 GLU HA H 79 4.730 4.861 -0.131 1 1 997 . 7 1 1 A 79 79 GLU C C 79 174.130 174.755 -0.625 1 1 998 . 7 1 1 A 79 79 GLU CA C 79 54.939 54.630 0.309 1 1 999 . 7 1 1 A 79 79 GLU CB C 79 31.656 33.183 -1.527 1 1 1001 . 7 1 1 A 79 79 GLU N N 79 114.860 120.381 -5.521 1 1 1002 . 7 1 1 A 80 80 GLU H H 80 9.120 8.753 0.367 1 1 1003 . 7 1 1 A 80 80 GLU HA H 80 5.030 4.771 0.259 1 1 1008 . 7 1 1 A 80 80 GLU C C 80 176.580 176.368 0.212 1 1 1009 . 7 1 1 A 80 80 GLU CA C 80 57.193 55.943 1.250 1 1 1010 . 7 1 1 A 80 80 GLU CB C 80 29.856 30.666 -0.810 1 1 1012 . 7 1 1 A 80 80 GLU N N 80 123.960 124.150 -0.190 1 1 1013 . 7 1 1 A 81 81 VAL H H 81 8.694 9.302 -0.608 1 1 1014 . 7 1 1 A 81 81 VAL HA H 81 4.780 5.148 -0.368 1 1 1022 . 7 1 1 A 81 81 VAL C C 81 174.460 174.895 -0.435 1 1 1023 . 7 1 1 A 81 81 VAL CA C 81 58.927 59.507 -0.580 1 1 1024 . 7 1 1 A 81 81 VAL CB C 81 35.550 34.730 0.820 1 1 1027 . 7 1 1 A 81 81 VAL N N 81 118.990 122.122 -3.132 1 1 1028 . 7 1 1 A 82 82 LYS H H 82 8.708 8.446 0.262 1 1 1029 . 7 1 1 A 82 82 LYS HA H 82 4.580 5.057 -0.477 1 1 1038 . 7 1 1 A 82 82 LYS C C 82 178.380 177.359 1.021 1 1 1039 . 7 1 1 A 82 82 LYS CA C 82 55.212 54.623 0.589 1 1 1040 . 7 1 1 A 82 82 LYS CB C 82 33.689 35.586 -1.897 1 1 1044 . 7 1 1 A 82 82 LYS N N 82 120.850 120.528 0.322 1 1 1045 . 7 1 1 A 83 83 LYS H H 83 8.870 8.957 -0.087 1 1 1046 . 7 1 1 A 83 83 LYS HA H 83 3.180 4.083 -0.903 1 1 1055 . 7 1 1 A 83 83 LYS C C 83 177.690 177.605 0.085 1 1 1056 . 7 1 1 A 83 83 LYS CA C 83 59.370 58.624 0.746 1 1 1057 . 7 1 1 A 83 83 LYS CB C 83 32.209 32.132 0.077 1 1 1061 . 7 1 1 A 83 83 LYS N N 83 121.435 119.729 1.706 1 1 1062 . 7 1 1 A 84 84 ASP H H 84 8.059 8.190 -0.131 1 1 1063 . 7 1 1 A 84 84 ASP HA H 84 4.220 4.505 -0.285 1 1 1066 . 7 1 1 A 84 84 ASP C C 84 177.100 177.798 -0.698 1 1 1067 . 7 1 1 A 84 84 ASP CA C 84 55.680 56.679 -0.999 1 1 1068 . 7 1 1 A 84 84 ASP CB C 84 40.392 40.662 -0.270 1 1 1069 . 7 1 1 A 84 84 ASP N N 84 112.520 119.095 -6.575 1 1 1070 . 7 1 1 A 85 85 GLU H H 85 7.686 8.144 -0.458 1 1 1071 . 7 1 1 A 85 85 GLU HA H 85 4.136 4.372 -0.236 1 1 1076 . 7 1 1 A 85 85 GLU C C 85 176.270 176.105 0.165 1 1 1077 . 7 1 1 A 85 85 GLU CA C 85 56.133 56.468 -0.335 1 1 1078 . 7 1 1 A 85 85 GLU CB C 85 30.479 29.106 1.373 1 1 1080 . 7 1 1 A 85 85 GLU N N 85 116.930 114.791 2.139 1 1 1081 . 7 1 1 A 86 86 LEU H H 86 7.017 7.488 -0.471 1 1 1082 . 7 1 1 A 86 86 LEU HA H 86 3.710 4.353 -0.643 1 1 1092 . 7 1 1 A 86 86 LEU CA C 86 52.600 52.012 0.588 1 1 1093 . 7 1 1 A 86 86 LEU CB C 86 42.120 41.673 0.447 1 1 1097 . 7 1 1 A 86 86 LEU N N 86 119.530 124.136 -4.606 1 1 1098 . 7 1 1 A 87 87 PRO HA H 87 4.330 4.536 -0.206 1 1 1105 . 7 1 1 A 87 87 PRO C C 87 176.940 177.570 -0.630 1 1 1106 . 7 1 1 A 87 87 PRO CA C 87 62.400 62.752 -0.352 1 1 1107 . 7 1 1 A 87 87 PRO CB C 87 32.537 32.405 0.132 1 1 1110 . 7 1 1 A 88 88 ALA H H 88 8.943 8.632 0.311 1 1 1111 . 7 1 1 A 88 88 ALA HA H 88 3.780 3.998 -0.218 1 1 1115 . 7 1 1 A 88 88 ALA C C 88 180.520 179.709 0.811 1 1 1116 . 7 1 1 A 88 88 ALA CA C 88 56.911 55.226 1.685 1 1 1117 . 7 1 1 A 88 88 ALA CB C 88 18.502 18.191 0.311 1 1 1118 . 7 1 1 A 88 88 ALA N N 88 128.160 127.261 0.899 1 1 1119 . 7 1 1 A 89 89 LYS H H 89 9.270 7.981 1.289 1 1 1120 . 7 1 1 A 89 89 LYS HA H 89 3.990 4.022 -0.032 1 1 1129 . 7 1 1 A 89 89 LYS C C 89 179.070 179.504 -0.434 1 1 1130 . 7 1 1 A 89 89 LYS CA C 89 58.648 59.310 -0.662 1 1 1131 . 7 1 1 A 89 89 LYS CB C 89 31.962 32.607 -0.645 1 1 1135 . 7 1 1 A 89 89 LYS N N 89 115.610 117.292 -1.682 1 1 1136 . 7 1 1 A 90 90 VAL H H 90 6.846 7.495 -0.649 1 1 1137 . 7 1 1 A 90 90 VAL HA H 90 3.230 3.472 -0.242 1 1 1145 . 7 1 1 A 90 90 VAL C C 90 177.100 178.316 -1.216 1 1 1146 . 7 1 1 A 90 90 VAL CA C 90 65.870 66.670 -0.800 1 1 1147 . 7 1 1 A 90 90 VAL CB C 90 30.880 31.401 -0.521 1 1 1150 . 7 1 1 A 90 90 VAL N N 90 117.560 119.982 -2.422 1 1 1151 . 7 1 1 A 91 91 LYS H H 91 7.850 7.759 0.091 1 1 1152 . 7 1 1 A 91 91 LYS HA H 91 3.430 3.962 -0.532 1 1 1161 . 7 1 1 A 91 91 LYS C C 91 178.420 178.502 -0.082 1 1 1162 . 7 1 1 A 91 91 LYS CA C 91 61.028 59.106 1.922 1 1 1163 . 7 1 1 A 91 91 LYS CB C 91 32.387 31.698 0.689 1 1 1167 . 7 1 1 A 91 91 LYS N N 91 118.750 119.834 -1.084 1 1 1168 . 7 1 1 A 92 92 GLU H H 92 7.282 8.079 -0.797 1 1 1169 . 7 1 1 A 92 92 GLU HA H 92 3.990 4.038 -0.048 1 1 1174 . 7 1 1 A 92 92 GLU C C 92 179.380 178.659 0.721 1 1 1175 . 7 1 1 A 92 92 GLU CA C 92 59.030 59.385 -0.355 1 1 1176 . 7 1 1 A 92 92 GLU CB C 92 29.841 29.136 0.705 1 1 1178 . 7 1 1 A 92 92 GLU N N 92 115.375 119.127 -3.752 1 1 1179 . 7 1 1 A 93 93 LYS H H 93 7.343 7.260 0.083 1 1 1180 . 7 1 1 A 93 93 LYS HA H 93 3.800 4.352 -0.552 1 1 1189 . 7 1 1 A 93 93 LYS C C 93 178.310 175.928 2.382 1 1 1190 . 7 1 1 A 93 93 LYS CA C 93 56.970 56.057 0.913 1 1 1191 . 7 1 1 A 93 93 LYS CB C 93 30.740 32.471 -1.731 1 1 1195 . 7 1 1 A 93 93 LYS N N 93 118.370 116.117 2.253 1 1 1196 . 7 1 1 A 94 94 LEU H H 94 8.000 8.149 -0.149 1 1 1197 . 7 1 1 A 94 94 LEU HA H 94 4.360 3.926 0.434 1 1 1207 . 7 1 1 A 94 94 LEU C C 94 177.350 175.870 1.480 1 1 1208 . 7 1 1 A 94 94 LEU CA C 94 54.765 55.838 -1.073 1 1 1209 . 7 1 1 A 94 94 LEU CB C 94 42.796 40.989 1.807 1 1 1213 . 7 1 1 A 94 94 LEU N N 94 115.600 119.728 -4.128 1 1 1214 . 7 1 1 A 95 95 GLY H H 95 7.601 8.374 -0.773 1 1 1215 . 7 1 1 A 95 95 GLY HA2 H 95 3.830 3.996 -0.166 1 1 1216 . 7 1 1 A 95 95 GLY HA3 H 95 3.950 3.998 -0.048 1 1 1217 . 7 1 1 A 95 95 GLY C C 95 174.790 173.938 0.852 1 1 1218 . 7 1 1 A 95 95 GLY CA C 95 46.550 45.386 1.164 1 1 1219 . 7 1 1 A 95 95 GLY N N 95 108.540 106.811 1.729 1 1 1220 . 7 1 1 A 96 96 VAL H H 96 7.957 7.559 0.398 1 1 1221 . 7 1 1 A 96 96 VAL HA H 96 3.940 4.050 -0.110 1 1 1229 . 7 1 1 A 96 96 VAL C C 96 175.540 175.951 -0.411 1 1 1230 . 7 1 1 A 96 96 VAL CA C 96 62.314 62.562 -0.248 1 1 1231 . 7 1 1 A 96 96 VAL CB C 96 32.155 31.572 0.583 1 1 1234 . 7 1 1 A 96 96 VAL N N 96 119.490 120.026 -0.536 1 1 1235 . 7 1 1 A 97 97 LYS H H 97 8.293 8.347 -0.054 1 1 1236 . 7 1 1 A 97 97 LYS HA H 97 4.210 4.679 -0.469 1 1 1245 . 7 1 1 A 97 97 LYS C C 97 176.290 174.787 1.503 1 1 1246 . 7 1 1 A 97 97 LYS CA C 97 56.174 55.862 0.312 1 1 1247 . 7 1 1 A 97 97 LYS CB C 97 33.200 36.641 -3.441 1 1 1251 . 7 1 1 A 97 97 LYS N N 97 126.120 125.651 0.469 1 1 1252 . 7 1 1 A 98 98 LEU H H 98 8.315 8.877 -0.562 1 1 1253 . 7 1 1 A 98 98 LEU HA H 98 4.240 4.534 -0.294 1 1 1263 . 7 1 1 A 98 98 LEU C C 98 176.930 176.776 0.154 1 1 1264 . 7 1 1 A 98 98 LEU CA C 98 54.800 54.736 0.064 1 1 1265 . 7 1 1 A 98 98 LEU CB C 98 42.217 41.472 0.745 1 1 1269 . 7 1 1 A 98 98 LEU N N 98 124.170 127.593 -3.423 1 1 1270 . 7 1 1 A 99 99 GLU H H 99 8.375 9.291 -0.916 1 1 1271 . 7 1 1 A 99 99 GLU HA H 99 4.175 4.364 -0.189 1 1 1276 . 7 1 1 A 99 99 GLU C C 99 176.035 176.464 -0.429 1 1 1277 . 7 1 1 A 99 99 GLU CA C 99 56.352 58.311 -1.959 1 1 1278 . 7 1 1 A 99 99 GLU CB C 99 30.460 30.884 -0.424 1 1 1280 . 7 1 1 A 99 99 GLU N N 99 122.010 126.854 -4.844 1 1 1281 . 7 1 1 A 100 100 HIS H H 100 8.350 8.319 0.031 1 1 1282 . 7 1 1 A 100 100 HIS HA H 100 4.565 4.183 0.382 1 1 1285 . 7 1 1 A 100 100 HIS C C 100 173.880 174.970 -1.090 1 1 1286 . 7 1 1 A 100 100 HIS CA C 100 56.050 57.251 -1.201 1 1 1287 . 7 1 1 A 100 100 HIS CB C 100 30.144 27.091 3.053 1 1 1288 . 7 1 1 A 100 100 HIS N N 100 120.245 117.625 2.620 1 1 1289 . 7 1 1 A 101 101 HIS H H 101 8.134 8.712 -0.578 1 1 1290 . 7 1 1 A 101 101 HIS HA H 101 4.410 4.620 -0.210 1 1 1293 . 7 1 1 A 101 101 HIS CA C 101 57.290 57.207 0.083 1 1 1294 . 7 1 1 A 101 101 HIS CB C 101 31.450 28.067 3.383 1 1 1 . 8 1 1 A 2 2 ASP HA H 2 4.670 4.564 0.106 1 1 4 . 8 1 1 A 2 2 ASP C C 2 176.480 176.474 0.006 1 1 5 . 8 1 1 A 2 2 ASP CA C 2 53.400 54.641 -1.241 1 1 6 . 8 1 1 A 2 2 ASP CB C 2 41.170 41.261 -0.091 1 1 7 . 8 1 1 A 3 3 LEU H H 3 8.650 8.445 0.205 1 1 8 . 8 1 1 A 3 3 LEU HA H 3 4.116 4.644 -0.528 1 1 18 . 8 1 1 A 3 3 LEU C C 3 177.880 177.611 0.269 1 1 19 . 8 1 1 A 3 3 LEU CA C 3 56.390 54.629 1.761 1 1 20 . 8 1 1 A 3 3 LEU CB C 3 41.660 41.239 0.421 1 1 24 . 8 1 1 A 3 3 LEU N N 3 125.300 125.163 0.137 1 1 25 . 8 1 1 A 4 4 ASN H H 4 8.370 7.995 0.375 1 1 26 . 8 1 1 A 4 4 ASN HA H 4 4.490 4.648 -0.158 1 1 31 . 8 1 1 A 4 4 ASN C C 4 175.050 176.926 -1.876 1 1 32 . 8 1 1 A 4 4 ASN CA C 4 54.320 56.127 -1.807 1 1 33 . 8 1 1 A 4 4 ASN CB C 4 38.240 38.149 0.091 1 1 34 . 8 1 1 A 4 4 ASN N N 4 116.550 118.158 -1.608 1 1 36 . 8 1 1 A 5 5 ARG H H 5 7.645 7.562 0.083 1 1 37 . 8 1 1 A 5 5 ARG HA H 5 3.920 4.423 -0.503 1 1 45 . 8 1 1 A 5 5 ARG C C 5 176.030 176.339 -0.309 1 1 46 . 8 1 1 A 5 5 ARG CA C 5 56.180 56.288 -0.108 1 1 47 . 8 1 1 A 5 5 ARG CB C 5 31.570 30.746 0.824 1 1 50 . 8 1 1 A 5 5 ARG N N 5 118.590 116.813 1.777 1 1 52 . 8 1 1 A 6 6 MET H H 6 7.809 7.389 0.420 1 1 53 . 8 1 1 A 6 6 MET HA H 6 4.355 4.275 0.080 1 1 58 . 8 1 1 A 6 6 MET C C 6 176.940 177.322 -0.382 1 1 59 . 8 1 1 A 6 6 MET CA C 6 56.290 57.732 -1.442 1 1 60 . 8 1 1 A 6 6 MET CB C 6 33.020 32.303 0.717 1 1 62 . 8 1 1 A 6 6 MET N N 6 120.180 120.034 0.146 1 1 63 . 8 1 1 A 7 7 GLY H H 7 8.906 8.912 -0.006 1 1 64 . 8 1 1 A 7 7 GLY HA2 H 7 3.870 3.951 -0.081 1 1 65 . 8 1 1 A 7 7 GLY HA3 H 7 3.950 3.958 -0.008 1 1 66 . 8 1 1 A 7 7 GLY C C 7 174.280 173.680 0.600 1 1 67 . 8 1 1 A 7 7 GLY CA C 7 46.110 44.988 1.122 1 1 68 . 8 1 1 A 7 7 GLY N N 7 112.660 111.778 0.882 1 1 69 . 8 1 1 A 8 8 LYS H H 8 7.819 7.606 0.213 1 1 70 . 8 1 1 A 8 8 LYS HA H 8 4.550 4.399 0.151 1 1 79 . 8 1 1 A 8 8 LYS C C 8 176.060 175.113 0.947 1 1 80 . 8 1 1 A 8 8 LYS CA C 8 54.444 54.851 -0.407 1 1 81 . 8 1 1 A 8 8 LYS CB C 8 33.760 33.999 -0.239 1 1 85 . 8 1 1 A 8 8 LYS N N 8 119.130 120.794 -1.664 1 1 86 . 8 1 1 A 9 9 ASP H H 9 8.790 8.848 -0.058 1 1 87 . 8 1 1 A 9 9 ASP HA H 9 4.730 5.214 -0.484 1 1 90 . 8 1 1 A 9 9 ASP C C 9 174.530 174.357 0.173 1 1 91 . 8 1 1 A 9 9 ASP CA C 9 54.560 52.474 2.086 1 1 92 . 8 1 1 A 9 9 ASP CB C 9 42.530 45.296 -2.766 1 1 93 . 8 1 1 A 9 9 ASP N N 9 121.550 124.762 -3.212 1 1 94 . 8 1 1 A 10 10 GLU H H 10 7.950 8.691 -0.741 1 1 95 . 8 1 1 A 10 10 GLU HA H 10 4.570 5.531 -0.961 1 1 100 . 8 1 1 A 10 10 GLU C C 10 174.080 175.041 -0.961 1 1 101 . 8 1 1 A 10 10 GLU CA C 10 54.640 55.282 -0.642 1 1 102 . 8 1 1 A 10 10 GLU CB C 10 31.380 31.810 -0.430 1 1 104 . 8 1 1 A 10 10 GLU N N 10 119.640 118.607 1.033 1 1 105 . 8 1 1 A 11 11 TYR H H 11 8.767 9.233 -0.466 1 1 106 . 8 1 1 A 11 11 TYR HA H 11 4.555 5.400 -0.845 1 1 113 . 8 1 1 A 11 11 TYR C C 11 173.480 175.088 -1.608 1 1 114 . 8 1 1 A 11 11 TYR CA C 11 56.360 56.639 -0.279 1 1 115 . 8 1 1 A 11 11 TYR CB C 11 43.860 39.891 3.969 1 1 120 . 8 1 1 A 11 11 TYR N N 11 120.960 122.402 -1.442 1 1 121 . 8 1 1 A 12 12 TYR H H 12 9.290 9.041 0.249 1 1 122 . 8 1 1 A 12 12 TYR HA H 12 5.730 5.062 0.668 1 1 129 . 8 1 1 A 12 12 TYR C C 12 175.700 176.101 -0.401 1 1 130 . 8 1 1 A 12 12 TYR CA C 12 56.680 58.242 -1.562 1 1 131 . 8 1 1 A 12 12 TYR CB C 12 42.180 38.498 3.682 1 1 136 . 8 1 1 A 12 12 TYR N N 12 118.880 124.113 -5.233 1 1 137 . 8 1 1 A 13 13 VAL H H 13 8.670 8.836 -0.166 1 1 138 . 8 1 1 A 13 13 VAL HA H 13 5.050 5.135 -0.085 1 1 146 . 8 1 1 A 13 13 VAL C C 13 174.820 175.138 -0.318 1 1 147 . 8 1 1 A 13 13 VAL CA C 13 58.130 59.631 -1.501 1 1 148 . 8 1 1 A 13 13 VAL CB C 13 35.890 34.558 1.332 1 1 151 . 8 1 1 A 13 13 VAL N N 13 112.280 118.692 -6.412 1 1 152 . 8 1 1 A 14 14 GLN H H 14 8.760 8.701 0.059 1 1 153 . 8 1 1 A 14 14 GLN HA H 14 5.090 4.904 0.186 1 1 160 . 8 1 1 A 14 14 GLN C C 14 175.000 175.331 -0.331 1 1 161 . 8 1 1 A 14 14 GLN CA C 14 53.520 54.200 -0.680 1 1 162 . 8 1 1 A 14 14 GLN CB C 14 31.250 30.450 0.800 1 1 164 . 8 1 1 A 14 14 GLN N N 14 120.910 122.651 -1.741 1 1 166 . 8 1 1 A 15 15 ILE H H 15 8.843 8.762 0.081 1 1 167 . 8 1 1 A 15 15 ILE HA H 15 3.900 4.151 -0.251 1 1 177 . 8 1 1 A 15 15 ILE C C 15 177.090 176.728 0.362 1 1 178 . 8 1 1 A 15 15 ILE CA C 15 59.269 61.657 -2.388 1 1 179 . 8 1 1 A 15 15 ILE CB C 15 34.050 36.737 -2.687 1 1 183 . 8 1 1 A 15 15 ILE N N 15 125.520 124.343 1.177 1 1 184 . 8 1 1 A 16 16 THR H H 16 7.996 8.902 -0.906 1 1 185 . 8 1 1 A 16 16 THR HA H 16 4.540 4.374 0.166 1 1 190 . 8 1 1 A 16 16 THR C C 16 173.650 174.847 -1.197 1 1 191 . 8 1 1 A 16 16 THR CA C 16 61.180 62.684 -1.504 1 1 192 . 8 1 1 A 16 16 THR CB C 16 69.300 69.007 0.293 1 1 194 . 8 1 1 A 16 16 THR N N 16 118.080 119.528 -1.448 1 1 195 . 8 1 1 A 17 17 VAL H H 17 7.240 7.637 -0.397 1 1 196 . 8 1 1 A 17 17 VAL HA H 17 4.659 4.217 0.442 1 1 204 . 8 1 1 A 17 17 VAL C C 17 175.135 174.992 0.143 1 1 205 . 8 1 1 A 17 17 VAL CA C 17 58.870 61.189 -2.319 1 1 206 . 8 1 1 A 17 17 VAL CB C 17 36.070 32.871 3.199 1 1 209 . 8 1 1 A 17 17 VAL N N 17 113.230 119.156 -5.926 1 1 210 . 8 1 1 A 18 18 ASP H H 18 8.280 8.456 -0.176 1 1 211 . 8 1 1 A 18 18 ASP HA H 18 5.010 4.953 0.057 1 1 214 . 8 1 1 A 18 18 ASP C C 18 177.350 175.469 1.881 1 1 215 . 8 1 1 A 18 18 ASP CA C 18 54.765 52.137 2.628 1 1 216 . 8 1 1 A 18 18 ASP CB C 18 42.120 44.383 -2.263 1 1 217 . 8 1 1 A 18 18 ASP N N 18 120.730 122.928 -2.198 1 1 218 . 8 1 1 A 19 19 GLY H H 19 8.951 8.667 0.284 1 1 219 . 8 1 1 A 19 19 GLY HA2 H 19 2.920 3.502 -0.582 1 1 220 . 8 1 1 A 19 19 GLY HA3 H 19 2.978 3.725 -0.747 1 1 221 . 8 1 1 A 19 19 GLY C C 19 172.450 173.930 -1.480 1 1 222 . 8 1 1 A 19 19 GLY CA C 19 45.370 45.521 -0.151 1 1 223 . 8 1 1 A 19 19 GLY N N 19 110.580 110.759 -0.179 1 1 224 . 8 1 1 A 20 20 LYS H H 20 8.110 7.629 0.481 1 1 225 . 8 1 1 A 20 20 LYS HA H 20 4.374 4.249 0.125 1 1 234 . 8 1 1 A 20 20 LYS C C 20 175.710 174.773 0.937 1 1 235 . 8 1 1 A 20 20 LYS CA C 20 54.800 55.244 -0.444 1 1 236 . 8 1 1 A 20 20 LYS CB C 20 33.240 31.539 1.701 1 1 240 . 8 1 1 A 20 20 LYS N N 20 124.290 122.163 2.127 1 1 241 . 8 1 1 A 21 21 GLU H H 21 8.710 8.456 0.254 1 1 242 . 8 1 1 A 21 21 GLU HA H 21 3.930 5.082 -1.152 1 1 247 . 8 1 1 A 21 21 GLU C C 21 175.960 175.753 0.207 1 1 248 . 8 1 1 A 21 21 GLU CA C 21 56.940 55.288 1.652 1 1 249 . 8 1 1 A 21 21 GLU CB C 21 30.439 30.805 -0.366 1 1 251 . 8 1 1 A 21 21 GLU N N 21 128.720 126.511 2.209 1 1 252 . 8 1 1 A 22 22 VAL H H 22 8.621 8.610 0.011 1 1 253 . 8 1 1 A 22 22 VAL HA H 22 4.160 4.425 -0.265 1 1 261 . 8 1 1 A 22 22 VAL C C 22 175.210 175.439 -0.229 1 1 262 . 8 1 1 A 22 22 VAL CA C 22 61.027 61.404 -0.377 1 1 263 . 8 1 1 A 22 22 VAL CB C 22 34.501 31.132 3.369 1 1 266 . 8 1 1 A 22 22 VAL N N 22 125.340 124.045 1.295 1 1 267 . 8 1 1 A 23 23 HIS H H 23 8.607 8.411 0.196 1 1 268 . 8 1 1 A 23 23 HIS HA H 23 4.820 5.209 -0.389 1 1 273 . 8 1 1 A 23 23 HIS C C 23 175.040 176.307 -1.267 1 1 274 . 8 1 1 A 23 23 HIS CA C 23 55.498 57.564 -2.066 1 1 275 . 8 1 1 A 23 23 HIS CB C 23 30.660 30.527 0.133 1 1 278 . 8 1 1 A 23 23 HIS N N 23 124.000 127.247 -3.247 1 1 279 . 8 1 1 A 24 24 SER H H 24 8.480 7.931 0.549 1 1 280 . 8 1 1 A 24 24 SER HA H 24 4.480 4.175 0.305 1 1 283 . 8 1 1 A 24 24 SER C C 24 173.860 175.209 -1.349 1 1 284 . 8 1 1 A 24 24 SER CA C 24 57.690 60.280 -2.590 1 1 285 . 8 1 1 A 24 24 SER CB C 24 64.580 62.597 1.983 1 1 286 . 8 1 1 A 24 24 SER N N 24 118.250 114.027 4.223 1 1 287 . 8 1 1 A 25 25 LYS H H 25 8.517 7.804 0.713 1 1 288 . 8 1 1 A 25 25 LYS HA H 25 4.561 4.558 0.003 1 1 297 . 8 1 1 A 25 25 LYS C C 25 176.160 176.218 -0.058 1 1 298 . 8 1 1 A 25 25 LYS CA C 25 56.255 55.256 0.999 1 1 299 . 8 1 1 A 25 25 LYS CB C 25 33.714 31.493 2.221 1 1 303 . 8 1 1 A 25 25 LYS N N 25 122.750 118.141 4.609 1 1 304 . 8 1 1 A 26 26 ALA H H 26 8.468 7.823 0.645 1 1 305 . 8 1 1 A 26 26 ALA HA H 26 4.470 4.695 -0.225 1 1 309 . 8 1 1 A 26 26 ALA C C 26 177.950 177.811 0.139 1 1 310 . 8 1 1 A 26 26 ALA CA C 26 51.912 53.189 -1.277 1 1 311 . 8 1 1 A 26 26 ALA CB C 26 20.050 20.354 -0.304 1 1 312 . 8 1 1 A 26 26 ALA N N 26 125.370 121.287 4.083 1 1 313 . 8 1 1 A 27 27 ASP H H 27 8.509 8.146 0.363 1 1 314 . 8 1 1 A 27 27 ASP HA H 27 4.460 4.483 -0.023 1 1 317 . 8 1 1 A 27 27 ASP C C 27 176.480 175.782 0.698 1 1 318 . 8 1 1 A 27 27 ASP CA C 27 55.490 54.693 0.797 1 1 319 . 8 1 1 A 27 27 ASP CB C 27 40.771 40.380 0.391 1 1 320 . 8 1 1 A 27 27 ASP N N 27 120.380 117.862 2.518 1 1 321 . 8 1 1 A 28 28 ASN H H 28 8.193 9.169 -0.976 1 1 322 . 8 1 1 A 28 28 ASN HA H 28 4.620 4.356 0.264 1 1 327 . 8 1 1 A 28 28 ASN C C 28 176.310 175.440 0.870 1 1 328 . 8 1 1 A 28 28 ASN CA C 28 53.050 55.263 -2.213 1 1 329 . 8 1 1 A 28 28 ASN CB C 28 38.080 36.721 1.359 1 1 330 . 8 1 1 A 28 28 ASN N N 28 117.470 118.846 -1.376 1 1 332 . 8 1 1 A 29 29 GLY H H 29 8.359 8.663 -0.304 1 1 333 . 8 1 1 A 29 29 GLY HA2 H 29 4.110 4.079 0.031 1 1 334 . 8 1 1 A 29 29 GLY HA3 H 29 3.720 4.106 -0.386 1 1 335 . 8 1 1 A 29 29 GLY C C 29 174.365 174.509 -0.144 1 1 336 . 8 1 1 A 29 29 GLY CA C 29 45.688 45.008 0.680 1 1 337 . 8 1 1 A 29 29 GLY N N 29 108.230 106.231 1.999 1 1 338 . 8 1 1 A 30 30 GLN H H 30 7.920 7.787 0.133 1 1 339 . 8 1 1 A 30 30 GLN HA H 30 4.200 4.265 -0.065 1 1 346 . 8 1 1 A 30 30 GLN C C 30 174.330 176.272 -1.942 1 1 347 . 8 1 1 A 30 30 GLN CA C 30 56.210 56.063 0.147 1 1 348 . 8 1 1 A 30 30 GLN CB C 30 29.320 29.874 -0.554 1 1 350 . 8 1 1 A 30 30 GLN N N 30 119.670 121.413 -1.743 1 1 352 . 8 1 1 A 31 31 LYS H H 31 8.390 8.578 -0.188 1 1 353 . 8 1 1 A 31 31 LYS HA H 31 4.490 4.515 -0.025 1 1 362 . 8 1 1 A 31 31 LYS C C 31 176.052 175.536 0.516 1 1 363 . 8 1 1 A 31 31 LYS CA C 31 56.417 55.925 0.492 1 1 364 . 8 1 1 A 31 31 LYS CB C 31 33.414 31.659 1.755 1 1 368 . 8 1 1 A 31 31 LYS N N 31 121.950 124.221 -2.271 1 1 369 . 8 1 1 A 32 32 TYR H H 32 8.160 7.908 0.252 1 1 370 . 8 1 1 A 32 32 TYR HA H 32 4.770 4.842 -0.072 1 1 377 . 8 1 1 A 32 32 TYR C C 32 175.560 174.967 0.593 1 1 378 . 8 1 1 A 32 32 TYR CA C 32 56.300 58.134 -1.834 1 1 379 . 8 1 1 A 32 32 TYR CB C 32 40.074 38.395 1.679 1 1 384 . 8 1 1 A 32 32 TYR N N 32 119.960 121.529 -1.569 1 1 385 . 8 1 1 A 33 33 LYS H H 33 8.397 8.619 -0.222 1 1 386 . 8 1 1 A 33 33 LYS HA H 33 4.610 4.816 -0.206 1 1 395 . 8 1 1 A 33 33 LYS C C 33 174.080 174.984 -0.904 1 1 396 . 8 1 1 A 33 33 LYS CA C 33 55.512 55.513 -0.001 1 1 397 . 8 1 1 A 33 33 LYS CB C 33 34.570 32.707 1.863 1 1 401 . 8 1 1 A 33 33 LYS N N 33 122.080 126.159 -4.079 1 1 402 . 8 1 1 A 34 34 ASP H H 34 8.140 8.540 -0.400 1 1 403 . 8 1 1 A 34 34 ASP HA H 34 5.040 5.079 -0.039 1 1 406 . 8 1 1 A 34 34 ASP C C 34 173.740 176.326 -2.586 1 1 407 . 8 1 1 A 34 34 ASP CA C 34 53.104 53.588 -0.484 1 1 408 . 8 1 1 A 34 34 ASP CB C 34 44.290 42.238 2.052 1 1 409 . 8 1 1 A 34 34 ASP N N 34 121.430 124.958 -3.528 1 1 410 . 8 1 1 A 35 35 TYR H H 35 8.849 8.905 -0.056 1 1 411 . 8 1 1 A 35 35 TYR HA H 35 4.660 4.696 -0.036 1 1 418 . 8 1 1 A 35 35 TYR C C 35 174.450 175.386 -0.936 1 1 419 . 8 1 1 A 35 35 TYR CA C 35 57.177 59.225 -2.048 1 1 420 . 8 1 1 A 35 35 TYR CB C 35 40.955 39.107 1.848 1 1 425 . 8 1 1 A 35 35 TYR N N 35 116.670 120.639 -3.969 1 1 426 . 8 1 1 A 36 36 GLU H H 36 9.144 9.276 -0.132 1 1 427 . 8 1 1 A 36 36 GLU HA H 36 4.615 4.943 -0.328 1 1 432 . 8 1 1 A 36 36 GLU C C 36 175.850 174.643 1.207 1 1 433 . 8 1 1 A 36 36 GLU CA C 36 55.700 54.755 0.945 1 1 434 . 8 1 1 A 36 36 GLU CB C 36 32.541 32.351 0.190 1 1 436 . 8 1 1 A 36 36 GLU N N 36 122.490 125.302 -2.812 1 1 437 . 8 1 1 A 37 37 TYR H H 37 8.598 9.074 -0.476 1 1 438 . 8 1 1 A 37 37 TYR HA H 37 4.090 4.965 -0.875 1 1 445 . 8 1 1 A 37 37 TYR C C 37 174.140 173.792 0.348 1 1 446 . 8 1 1 A 37 37 TYR CA C 37 58.399 56.347 2.052 1 1 447 . 8 1 1 A 37 37 TYR CB C 37 41.690 40.397 1.293 1 1 452 . 8 1 1 A 37 37 TYR N N 37 122.480 126.472 -3.992 1 1 453 . 8 1 1 A 38 38 LYS H H 38 8.410 8.899 -0.489 1 1 454 . 8 1 1 A 38 38 LYS HA H 38 5.080 4.997 0.083 1 1 463 . 8 1 1 A 38 38 LYS C C 38 174.980 175.269 -0.289 1 1 464 . 8 1 1 A 38 38 LYS CA C 38 56.133 54.983 1.150 1 1 465 . 8 1 1 A 38 38 LYS CB C 38 33.525 34.754 -1.229 1 1 469 . 8 1 1 A 38 38 LYS N N 38 124.250 125.315 -1.065 1 1 470 . 8 1 1 A 39 39 LEU H H 39 8.555 8.701 -0.146 1 1 471 . 8 1 1 A 39 39 LEU HA H 39 4.865 4.946 -0.081 1 1 480 . 8 1 1 A 39 39 LEU C C 39 175.120 174.967 0.153 1 1 481 . 8 1 1 A 39 39 LEU CA C 39 53.316 53.569 -0.253 1 1 482 . 8 1 1 A 39 39 LEU CB C 39 47.338 45.706 1.632 1 1 485 . 8 1 1 A 39 39 LEU N N 39 124.840 122.592 2.248 1 1 486 . 8 1 1 A 40 40 THR H H 40 8.615 8.761 -0.146 1 1 487 . 8 1 1 A 40 40 THR HA H 40 4.410 4.641 -0.231 1 1 492 . 8 1 1 A 40 40 THR C C 40 173.360 174.393 -1.033 1 1 493 . 8 1 1 A 40 40 THR CA C 40 63.200 61.831 1.369 1 1 494 . 8 1 1 A 40 40 THR CB C 40 69.100 69.236 -0.136 1 1 496 . 8 1 1 A 40 40 THR N N 40 118.390 116.759 1.631 1 1 497 . 8 1 1 A 41 41 GLY H H 41 8.545 9.045 -0.500 1 1 498 . 8 1 1 A 41 41 GLY HA2 H 41 3.030 4.164 -1.134 1 1 499 . 8 1 1 A 41 41 GLY HA3 H 41 4.910 4.247 0.663 1 1 500 . 8 1 1 A 41 41 GLY C C 41 171.375 172.424 -1.049 1 1 501 . 8 1 1 A 41 41 GLY CA C 41 43.963 45.295 -1.332 1 1 502 . 8 1 1 A 41 41 GLY N N 41 113.500 114.263 -0.763 1 1 503 . 8 1 1 A 42 42 PHE H H 42 8.650 8.748 -0.098 1 1 504 . 8 1 1 A 42 42 PHE HA H 42 5.910 5.384 0.526 1 1 512 . 8 1 1 A 42 42 PHE C C 42 176.670 175.149 1.521 1 1 513 . 8 1 1 A 42 42 PHE CA C 42 56.260 57.031 -0.771 1 1 514 . 8 1 1 A 42 42 PHE CB C 42 44.750 40.993 3.757 1 1 520 . 8 1 1 A 42 42 PHE N N 42 113.300 122.566 -9.266 1 1 521 . 8 1 1 A 43 43 ASP H H 43 9.040 8.389 0.651 1 1 522 . 8 1 1 A 43 43 ASP HA H 43 5.100 3.970 1.130 1 1 525 . 8 1 1 A 43 43 ASP C C 43 177.790 177.352 0.438 1 1 526 . 8 1 1 A 43 43 ASP CA C 43 51.990 53.614 -1.624 1 1 527 . 8 1 1 A 43 43 ASP CB C 43 41.660 41.636 0.024 1 1 528 . 8 1 1 A 43 43 ASP N N 43 123.450 123.896 -0.446 1 1 529 . 8 1 1 A 44 44 LYS H H 44 8.689 8.933 -0.244 1 1 530 . 8 1 1 A 44 44 LYS HA H 44 3.920 4.030 -0.110 1 1 539 . 8 1 1 A 44 44 LYS C C 44 175.450 177.099 -1.649 1 1 540 . 8 1 1 A 44 44 LYS CA C 44 58.730 58.529 0.201 1 1 541 . 8 1 1 A 44 44 LYS CB C 44 31.707 32.051 -0.344 1 1 545 . 8 1 1 A 44 44 LYS N N 44 113.360 122.411 -9.051 1 1 546 . 8 1 1 A 45 45 ASP H H 45 8.178 7.743 0.435 1 1 547 . 8 1 1 A 45 45 ASP HA H 45 4.930 4.736 0.194 1 1 550 . 8 1 1 A 45 45 ASP C C 45 176.710 176.400 0.310 1 1 551 . 8 1 1 A 45 45 ASP CA C 45 54.501 53.976 0.525 1 1 552 . 8 1 1 A 45 45 ASP CB C 45 42.260 41.581 0.679 1 1 553 . 8 1 1 A 45 45 ASP N N 45 119.050 119.769 -0.719 1 1 554 . 8 1 1 A 46 46 GLY H H 46 8.853 8.777 0.076 1 1 555 . 8 1 1 A 46 46 GLY HA2 H 46 4.120 3.918 0.202 1 1 556 . 8 1 1 A 46 46 GLY HA3 H 46 3.350 3.937 -0.587 1 1 557 . 8 1 1 A 46 46 GLY C C 46 173.020 174.334 -1.314 1 1 558 . 8 1 1 A 46 46 GLY CA C 46 45.510 46.392 -0.882 1 1 559 . 8 1 1 A 46 46 GLY N N 46 110.250 107.975 2.275 1 1 560 . 8 1 1 A 47 47 LYS H H 47 8.640 7.799 0.841 1 1 561 . 8 1 1 A 47 47 LYS HA H 47 4.320 4.828 -0.508 1 1 570 . 8 1 1 A 47 47 LYS C C 47 176.180 175.323 0.857 1 1 571 . 8 1 1 A 47 47 LYS CA C 47 57.200 54.052 3.148 1 1 572 . 8 1 1 A 47 47 LYS CB C 47 32.300 35.306 -3.006 1 1 576 . 8 1 1 A 47 47 LYS N N 47 123.450 118.666 4.784 1 1 577 . 8 1 1 A 48 48 GLU H H 48 8.510 8.649 -0.139 1 1 578 . 8 1 1 A 48 48 GLU HA H 48 4.914 4.670 0.244 1 1 583 . 8 1 1 A 48 48 GLU C C 48 176.545 175.337 1.208 1 1 584 . 8 1 1 A 48 48 GLU CA C 48 55.540 55.597 -0.057 1 1 585 . 8 1 1 A 48 48 GLU CB C 48 32.850 31.286 1.564 1 1 587 . 8 1 1 A 48 48 GLU N N 48 123.300 118.676 4.624 1 1 588 . 8 1 1 A 49 49 LYS H H 49 8.304 7.966 0.338 1 1 589 . 8 1 1 A 49 49 LYS HA H 49 4.080 4.674 -0.594 1 1 598 . 8 1 1 A 49 49 LYS C C 49 173.870 174.140 -0.270 1 1 599 . 8 1 1 A 49 49 LYS CA C 49 54.797 55.679 -0.882 1 1 600 . 8 1 1 A 49 49 LYS CB C 49 36.248 36.547 -0.299 1 1 604 . 8 1 1 A 49 49 LYS N N 49 123.450 120.649 2.801 1 1 605 . 8 1 1 A 50 50 GLU H H 50 8.377 8.544 -0.167 1 1 606 . 8 1 1 A 50 50 GLU HA H 50 4.298 4.607 -0.309 1 1 611 . 8 1 1 A 50 50 GLU C C 50 175.090 175.639 -0.549 1 1 612 . 8 1 1 A 50 50 GLU CA C 50 56.950 55.968 0.982 1 1 613 . 8 1 1 A 50 50 GLU CB C 50 29.872 30.356 -0.484 1 1 615 . 8 1 1 A 50 50 GLU N N 50 127.100 126.765 0.335 1 1 616 . 8 1 1 A 51 51 LEU H H 51 8.934 9.358 -0.424 1 1 617 . 8 1 1 A 51 51 LEU HA H 51 4.517 5.178 -0.661 1 1 627 . 8 1 1 A 51 51 LEU C C 51 174.890 175.965 -1.075 1 1 628 . 8 1 1 A 51 51 LEU CA C 51 53.817 53.345 0.472 1 1 629 . 8 1 1 A 51 51 LEU CB C 51 45.254 45.536 -0.282 1 1 633 . 8 1 1 A 51 51 LEU N N 51 127.790 128.909 -1.119 1 1 634 . 8 1 1 A 52 52 GLU H H 52 8.360 9.170 -0.810 1 1 635 . 8 1 1 A 52 52 GLU HA H 52 5.417 5.353 0.064 1 1 640 . 8 1 1 A 52 52 GLU C C 52 174.890 174.571 0.319 1 1 641 . 8 1 1 A 52 52 GLU CA C 52 54.519 54.481 0.038 1 1 642 . 8 1 1 A 52 52 GLU CB C 52 32.500 33.672 -1.172 1 1 644 . 8 1 1 A 52 52 GLU N N 52 121.180 119.481 1.699 1 1 645 . 8 1 1 A 53 53 PHE H H 53 8.465 8.460 0.005 1 1 646 . 8 1 1 A 53 53 PHE HA H 53 5.130 5.184 -0.054 1 1 654 . 8 1 1 A 53 53 PHE C C 53 172.660 172.859 -0.199 1 1 655 . 8 1 1 A 53 53 PHE CA C 53 56.508 56.285 0.223 1 1 656 . 8 1 1 A 53 53 PHE CB C 53 40.095 40.717 -0.622 1 1 662 . 8 1 1 A 53 53 PHE N N 53 118.940 117.121 1.819 1 1 663 . 8 1 1 A 54 54 THR H H 54 8.622 9.127 -0.505 1 1 664 . 8 1 1 A 54 54 THR HA H 54 5.530 5.683 -0.153 1 1 669 . 8 1 1 A 54 54 THR C C 54 173.470 174.049 -0.579 1 1 670 . 8 1 1 A 54 54 THR CA C 54 60.148 60.458 -0.310 1 1 671 . 8 1 1 A 54 54 THR CB C 54 71.820 70.442 1.378 1 1 673 . 8 1 1 A 54 54 THR N N 54 112.280 112.071 0.209 1 1 674 . 8 1 1 A 55 55 ALA H H 55 9.710 9.140 0.570 1 1 675 . 8 1 1 A 55 55 ALA HA H 55 5.354 4.917 0.437 1 1 679 . 8 1 1 A 55 55 ALA C C 55 176.720 178.035 -1.315 1 1 680 . 8 1 1 A 55 55 ALA CA C 55 50.568 50.474 0.094 1 1 681 . 8 1 1 A 55 55 ALA CB C 55 24.180 20.808 3.372 1 1 682 . 8 1 1 A 55 55 ALA N N 55 126.340 128.533 -2.193 1 1 683 . 8 1 1 A 56 56 GLN H H 56 9.130 9.062 0.068 1 1 684 . 8 1 1 A 56 56 GLN HA H 56 5.030 4.444 0.586 1 1 691 . 8 1 1 A 56 56 GLN C C 56 174.960 175.652 -0.692 1 1 692 . 8 1 1 A 56 56 GLN CA C 56 56.820 57.199 -0.379 1 1 693 . 8 1 1 A 56 56 GLN CB C 56 29.180 29.838 -0.658 1 1 695 . 8 1 1 A 56 56 GLN N N 56 118.540 121.462 -2.922 1 1 697 . 8 1 1 A 57 57 LYS H H 57 7.656 7.638 0.018 1 1 698 . 8 1 1 A 57 57 LYS HA H 57 4.360 4.769 -0.409 1 1 707 . 8 1 1 A 57 57 LYS C C 57 172.490 174.559 -2.069 1 1 708 . 8 1 1 A 57 57 LYS CA C 57 54.351 54.626 -0.275 1 1 709 . 8 1 1 A 57 57 LYS CB C 57 35.360 35.539 -0.179 1 1 713 . 8 1 1 A 57 57 LYS N N 57 116.270 115.613 0.657 1 1 714 . 8 1 1 A 58 58 ASN H H 58 7.709 8.620 -0.911 1 1 715 . 8 1 1 A 58 58 ASN HA H 58 4.000 5.227 -1.227 1 1 720 . 8 1 1 A 58 58 ASN C C 58 175.490 175.091 0.399 1 1 721 . 8 1 1 A 58 58 ASN CA C 58 53.498 52.657 0.841 1 1 722 . 8 1 1 A 58 58 ASN CB C 58 38.538 38.672 -0.134 1 1 723 . 8 1 1 A 58 58 ASN N N 58 117.960 120.698 -2.738 1 1 725 . 8 1 1 A 59 59 LEU H H 59 7.940 8.707 -0.767 1 1 726 . 8 1 1 A 59 59 LEU HA H 59 3.950 4.162 -0.212 1 1 736 . 8 1 1 A 59 59 LEU C C 59 176.410 177.231 -0.821 1 1 737 . 8 1 1 A 59 59 LEU CA C 59 54.550 55.160 -0.610 1 1 738 . 8 1 1 A 59 59 LEU CB C 59 42.370 41.932 0.438 1 1 742 . 8 1 1 A 59 59 LEU N N 59 128.190 126.831 1.359 1 1 743 . 8 1 1 A 60 60 ARG H H 60 8.355 8.448 -0.093 1 1 744 . 8 1 1 A 60 60 ARG HA H 60 3.870 4.448 -0.578 1 1 752 . 8 1 1 A 60 60 ARG C C 60 175.350 176.259 -0.909 1 1 753 . 8 1 1 A 60 60 ARG CA C 60 56.695 55.895 0.800 1 1 754 . 8 1 1 A 60 60 ARG CB C 60 31.290 30.781 0.509 1 1 757 . 8 1 1 A 60 60 ARG N N 60 123.759 122.693 1.066 1 1 759 . 8 1 1 A 61 61 LYS H H 61 8.178 8.593 -0.415 1 1 760 . 8 1 1 A 61 61 LYS HA H 61 3.680 4.156 -0.476 1 1 769 . 8 1 1 A 61 61 LYS C C 61 177.290 176.139 1.151 1 1 770 . 8 1 1 A 61 61 LYS CA C 61 58.733 57.301 1.432 1 1 771 . 8 1 1 A 61 61 LYS CB C 61 31.564 32.690 -1.126 1 1 775 . 8 1 1 A 61 61 LYS N N 61 125.600 124.849 0.751 1 1 776 . 8 1 1 A 62 62 GLU H H 62 8.949 8.725 0.224 1 1 777 . 8 1 1 A 62 62 GLU HA H 62 3.340 3.689 -0.349 1 1 782 . 8 1 1 A 62 62 GLU C C 62 176.170 175.272 0.898 1 1 783 . 8 1 1 A 62 62 GLU CA C 62 59.156 57.917 1.239 1 1 784 . 8 1 1 A 62 62 GLU CB C 62 28.040 28.600 -0.560 1 1 786 . 8 1 1 A 62 62 GLU N N 62 112.860 116.381 -3.521 1 1 787 . 8 1 1 A 63 63 ALA H H 63 7.604 7.550 0.054 1 1 788 . 8 1 1 A 63 63 ALA HA H 63 4.020 4.850 -0.830 1 1 792 . 8 1 1 A 63 63 ALA C C 63 175.530 175.838 -0.308 1 1 793 . 8 1 1 A 63 63 ALA CA C 63 53.074 50.783 2.291 1 1 794 . 8 1 1 A 63 63 ALA CB C 63 19.323 22.186 -2.863 1 1 795 . 8 1 1 A 63 63 ALA N N 63 122.700 120.915 1.785 1 1 796 . 8 1 1 A 64 64 PHE H H 64 8.876 9.005 -0.129 1 1 797 . 8 1 1 A 64 64 PHE HA H 64 5.470 5.882 -0.412 1 1 802 . 8 1 1 A 64 64 PHE C C 64 175.480 174.733 0.747 1 1 803 . 8 1 1 A 64 64 PHE CA C 64 56.780 56.312 0.468 1 1 804 . 8 1 1 A 64 64 PHE CB C 64 41.566 41.460 0.106 1 1 807 . 8 1 1 A 64 64 PHE N N 64 118.670 118.469 0.201 1 1 808 . 8 1 1 A 65 65 LEU H H 65 8.870 9.510 -0.640 1 1 809 . 8 1 1 A 65 65 LEU HA H 65 5.390 5.546 -0.156 1 1 819 . 8 1 1 A 65 65 LEU C C 65 176.030 176.131 -0.101 1 1 820 . 8 1 1 A 65 65 LEU CA C 65 52.926 53.299 -0.373 1 1 821 . 8 1 1 A 65 65 LEU CB C 65 45.561 43.101 2.460 1 1 825 . 8 1 1 A 65 65 LEU N N 65 118.700 124.051 -5.351 1 1 826 . 8 1 1 A 66 66 ARG H H 66 9.031 8.816 0.215 1 1 827 . 8 1 1 A 66 66 ARG HA H 66 4.345 4.365 -0.020 1 1 835 . 8 1 1 A 66 66 ARG C C 66 174.220 174.931 -0.711 1 1 836 . 8 1 1 A 66 66 ARG CA C 66 54.957 55.310 -0.353 1 1 837 . 8 1 1 A 66 66 ARG CB C 66 32.885 29.442 3.443 1 1 840 . 8 1 1 A 66 66 ARG N N 66 121.590 124.979 -3.389 1 1 842 . 8 1 1 A 67 67 VAL H H 67 9.359 8.055 1.304 1 1 843 . 8 1 1 A 67 67 VAL HA H 67 4.400 4.332 0.068 1 1 851 . 8 1 1 A 67 67 VAL C C 67 174.070 175.039 -0.969 1 1 852 . 8 1 1 A 67 67 VAL CA C 67 60.910 62.110 -1.200 1 1 853 . 8 1 1 A 67 67 VAL CB C 67 33.960 32.472 1.488 1 1 856 . 8 1 1 A 67 67 VAL N N 67 126.230 124.580 1.650 1 1 857 . 8 1 1 A 68 68 TYR H H 68 8.710 9.004 -0.294 1 1 858 . 8 1 1 A 68 68 TYR HA H 68 5.070 4.727 0.343 1 1 865 . 8 1 1 A 68 68 TYR C C 68 175.390 174.450 0.940 1 1 866 . 8 1 1 A 68 68 TYR CA C 68 57.290 56.856 0.434 1 1 867 . 8 1 1 A 68 68 TYR CB C 68 38.690 38.181 0.509 1 1 872 . 8 1 1 A 68 68 TYR N N 68 125.200 128.153 -2.953 1 1 873 . 8 1 1 A 69 69 HIS H H 69 9.224 9.005 0.219 1 1 874 . 8 1 1 A 69 69 HIS HA H 69 5.200 5.317 -0.117 1 1 879 . 8 1 1 A 69 69 HIS C C 69 173.600 173.131 0.469 1 1 880 . 8 1 1 A 69 69 HIS CA C 69 56.502 54.821 1.681 1 1 881 . 8 1 1 A 69 69 HIS CB C 69 35.873 30.489 5.384 1 1 884 . 8 1 1 A 69 69 HIS N N 69 124.780 128.879 -4.099 1 1 885 . 8 1 1 A 70 70 SER H H 70 7.425 8.630 -1.205 1 1 886 . 8 1 1 A 70 70 SER HA H 70 4.800 4.586 0.214 1 1 889 . 8 1 1 A 70 70 SER C C 70 173.790 173.746 0.044 1 1 890 . 8 1 1 A 70 70 SER CA C 70 56.840 57.371 -0.531 1 1 891 . 8 1 1 A 70 70 SER CB C 70 66.500 62.498 4.002 1 1 892 . 8 1 1 A 70 70 SER N N 70 118.910 124.357 -5.447 1 1 893 . 8 1 1 A 71 71 ASP H H 71 9.020 8.917 0.103 1 1 894 . 8 1 1 A 71 71 ASP HA H 71 4.390 4.127 0.263 1 1 897 . 8 1 1 A 71 71 ASP C C 71 178.030 176.479 1.551 1 1 898 . 8 1 1 A 71 71 ASP CA C 71 57.220 56.308 0.912 1 1 899 . 8 1 1 A 71 71 ASP CB C 71 40.622 39.350 1.272 1 1 900 . 8 1 1 A 71 71 ASP N N 71 123.340 122.185 1.155 1 1 901 . 8 1 1 A 72 72 LYS H H 72 8.220 8.434 -0.214 1 1 902 . 8 1 1 A 72 72 LYS HA H 72 4.123 4.026 0.097 1 1 911 . 8 1 1 A 72 72 LYS C C 72 177.560 177.723 -0.163 1 1 912 . 8 1 1 A 72 72 LYS CA C 72 58.383 59.125 -0.742 1 1 913 . 8 1 1 A 72 72 LYS CB C 72 32.778 32.102 0.676 1 1 917 . 8 1 1 A 72 72 LYS N N 72 116.640 118.291 -1.651 1 1 918 . 8 1 1 A 73 73 LYS H H 73 7.367 7.347 0.020 1 1 919 . 8 1 1 A 73 73 LYS HA H 73 4.449 4.488 -0.039 1 1 928 . 8 1 1 A 73 73 LYS C C 73 176.750 177.732 -0.982 1 1 929 . 8 1 1 A 73 73 LYS CA C 73 55.614 56.914 -1.300 1 1 930 . 8 1 1 A 73 73 LYS CB C 73 33.910 35.017 -1.107 1 1 934 . 8 1 1 A 73 73 LYS N N 73 115.780 117.847 -2.067 1 1 935 . 8 1 1 A 74 74 GLY H H 74 8.240 8.120 0.120 1 1 936 . 8 1 1 A 74 74 GLY HA2 H 74 3.630 3.847 -0.217 1 1 937 . 8 1 1 A 74 74 GLY HA3 H 74 4.240 3.847 0.393 1 1 938 . 8 1 1 A 74 74 GLY C C 74 174.817 174.971 -0.154 1 1 939 . 8 1 1 A 74 74 GLY CA C 74 45.075 46.964 -1.889 1 1 940 . 8 1 1 A 74 74 GLY N N 74 110.370 108.123 2.247 1 1 941 . 8 1 1 A 75 75 VAL H H 75 9.140 8.355 0.785 1 1 942 . 8 1 1 A 75 75 VAL HA H 75 4.640 3.866 0.774 1 1 950 . 8 1 1 A 75 75 VAL C C 75 177.000 175.972 1.028 1 1 951 . 8 1 1 A 75 75 VAL CA C 75 63.550 62.986 0.564 1 1 952 . 8 1 1 A 75 75 VAL CB C 75 32.237 29.846 2.391 1 1 955 . 8 1 1 A 75 75 VAL N N 75 124.300 118.532 5.768 1 1 956 . 8 1 1 A 76 76 SER H H 76 9.020 8.158 0.862 1 1 957 . 8 1 1 A 76 76 SER HA H 76 4.640 4.175 0.465 1 1 960 . 8 1 1 A 76 76 SER C C 76 174.250 173.889 0.361 1 1 961 . 8 1 1 A 76 76 SER CA C 76 58.440 61.424 -2.984 1 1 962 . 8 1 1 A 76 76 SER CB C 76 64.550 63.336 1.214 1 1 963 . 8 1 1 A 76 76 SER N N 76 122.490 116.760 5.730 1 1 964 . 8 1 1 A 77 77 ALA H H 77 7.890 7.517 0.373 1 1 965 . 8 1 1 A 77 77 ALA HA H 77 4.420 4.559 -0.139 1 1 969 . 8 1 1 A 77 77 ALA C C 77 174.430 175.117 -0.687 1 1 970 . 8 1 1 A 77 77 ALA CA C 77 51.940 51.235 0.705 1 1 971 . 8 1 1 A 77 77 ALA CB C 77 22.234 22.643 -0.409 1 1 972 . 8 1 1 A 77 77 ALA N N 77 122.930 119.031 3.899 1 1 973 . 8 1 1 A 78 78 TRP H H 78 7.776 8.324 -0.548 1 1 974 . 8 1 1 A 78 78 TRP HA H 78 5.690 5.799 -0.109 1 1 982 . 8 1 1 A 78 78 TRP C C 78 174.450 173.564 0.886 1 1 983 . 8 1 1 A 78 78 TRP CA C 78 55.899 55.031 0.868 1 1 984 . 8 1 1 A 78 78 TRP CB C 78 32.602 32.824 -0.222 1 1 989 . 8 1 1 A 78 78 TRP N N 78 114.705 116.455 -1.750 1 1 991 . 8 1 1 A 79 79 GLU H H 79 9.210 8.580 0.630 1 1 992 . 8 1 1 A 79 79 GLU HA H 79 4.730 4.979 -0.249 1 1 997 . 8 1 1 A 79 79 GLU C C 79 174.130 174.817 -0.687 1 1 998 . 8 1 1 A 79 79 GLU CA C 79 54.939 54.727 0.212 1 1 999 . 8 1 1 A 79 79 GLU CB C 79 31.656 33.304 -1.648 1 1 1001 . 8 1 1 A 79 79 GLU N N 79 114.860 120.345 -5.485 1 1 1002 . 8 1 1 A 80 80 GLU H H 80 9.120 8.819 0.301 1 1 1003 . 8 1 1 A 80 80 GLU HA H 80 5.030 4.820 0.210 1 1 1008 . 8 1 1 A 80 80 GLU C C 80 176.580 176.005 0.575 1 1 1009 . 8 1 1 A 80 80 GLU CA C 80 57.193 55.539 1.654 1 1 1010 . 8 1 1 A 80 80 GLU CB C 80 29.856 30.493 -0.637 1 1 1012 . 8 1 1 A 80 80 GLU N N 80 123.960 124.337 -0.377 1 1 1013 . 8 1 1 A 81 81 VAL H H 81 8.694 9.047 -0.353 1 1 1014 . 8 1 1 A 81 81 VAL HA H 81 4.780 5.149 -0.369 1 1 1022 . 8 1 1 A 81 81 VAL C C 81 174.460 175.449 -0.989 1 1 1023 . 8 1 1 A 81 81 VAL CA C 81 58.927 59.688 -0.761 1 1 1024 . 8 1 1 A 81 81 VAL CB C 81 35.550 34.853 0.697 1 1 1027 . 8 1 1 A 81 81 VAL N N 81 118.990 121.692 -2.702 1 1 1028 . 8 1 1 A 82 82 LYS H H 82 8.708 8.033 0.675 1 1 1029 . 8 1 1 A 82 82 LYS HA H 82 4.580 4.791 -0.211 1 1 1038 . 8 1 1 A 82 82 LYS C C 82 178.380 176.890 1.490 1 1 1039 . 8 1 1 A 82 82 LYS CA C 82 55.212 54.710 0.502 1 1 1040 . 8 1 1 A 82 82 LYS CB C 82 33.689 34.256 -0.567 1 1 1044 . 8 1 1 A 82 82 LYS N N 82 120.850 120.610 0.240 1 1 1045 . 8 1 1 A 83 83 LYS H H 83 8.870 9.095 -0.225 1 1 1046 . 8 1 1 A 83 83 LYS HA H 83 3.180 3.886 -0.706 1 1 1055 . 8 1 1 A 83 83 LYS C C 83 177.690 177.207 0.483 1 1 1056 . 8 1 1 A 83 83 LYS CA C 83 59.370 58.839 0.531 1 1 1057 . 8 1 1 A 83 83 LYS CB C 83 32.209 31.959 0.250 1 1 1061 . 8 1 1 A 83 83 LYS N N 83 121.435 120.287 1.148 1 1 1062 . 8 1 1 A 84 84 ASP H H 84 8.059 8.241 -0.182 1 1 1063 . 8 1 1 A 84 84 ASP HA H 84 4.220 4.379 -0.159 1 1 1066 . 8 1 1 A 84 84 ASP C C 84 177.100 178.123 -1.023 1 1 1067 . 8 1 1 A 84 84 ASP CA C 84 55.680 57.687 -2.007 1 1 1068 . 8 1 1 A 84 84 ASP CB C 84 40.392 42.053 -1.661 1 1 1069 . 8 1 1 A 84 84 ASP N N 84 112.520 119.962 -7.442 1 1 1070 . 8 1 1 A 85 85 GLU H H 85 7.686 8.319 -0.633 1 1 1071 . 8 1 1 A 85 85 GLU HA H 85 4.136 4.299 -0.163 1 1 1076 . 8 1 1 A 85 85 GLU C C 85 176.270 176.806 -0.536 1 1 1077 . 8 1 1 A 85 85 GLU CA C 85 56.133 56.792 -0.659 1 1 1078 . 8 1 1 A 85 85 GLU CB C 85 30.479 28.872 1.607 1 1 1080 . 8 1 1 A 85 85 GLU N N 85 116.930 115.136 1.794 1 1 1081 . 8 1 1 A 86 86 LEU H H 86 7.017 7.033 -0.016 1 1 1082 . 8 1 1 A 86 86 LEU HA H 86 3.710 4.222 -0.512 1 1 1092 . 8 1 1 A 86 86 LEU CA C 86 52.600 53.642 -1.042 1 1 1093 . 8 1 1 A 86 86 LEU CB C 86 42.120 41.329 0.791 1 1 1097 . 8 1 1 A 86 86 LEU N N 86 119.530 124.962 -5.432 1 1 1098 . 8 1 1 A 87 87 PRO HA H 87 4.330 4.423 -0.093 1 1 1105 . 8 1 1 A 87 87 PRO C C 87 176.940 177.605 -0.665 1 1 1106 . 8 1 1 A 87 87 PRO CA C 87 62.400 62.943 -0.543 1 1 1107 . 8 1 1 A 87 87 PRO CB C 87 32.537 32.507 0.030 1 1 1110 . 8 1 1 A 88 88 ALA H H 88 8.943 8.589 0.354 1 1 1111 . 8 1 1 A 88 88 ALA HA H 88 3.780 3.964 -0.184 1 1 1115 . 8 1 1 A 88 88 ALA C C 88 180.520 179.725 0.795 1 1 1116 . 8 1 1 A 88 88 ALA CA C 88 56.911 55.132 1.779 1 1 1117 . 8 1 1 A 88 88 ALA CB C 88 18.502 18.117 0.385 1 1 1118 . 8 1 1 A 88 88 ALA N N 88 128.160 126.999 1.161 1 1 1119 . 8 1 1 A 89 89 LYS H H 89 9.270 7.882 1.388 1 1 1120 . 8 1 1 A 89 89 LYS HA H 89 3.990 4.015 -0.025 1 1 1129 . 8 1 1 A 89 89 LYS C C 89 179.070 179.126 -0.056 1 1 1130 . 8 1 1 A 89 89 LYS CA C 89 58.648 58.125 0.523 1 1 1131 . 8 1 1 A 89 89 LYS CB C 89 31.962 32.102 -0.140 1 1 1135 . 8 1 1 A 89 89 LYS N N 89 115.610 117.225 -1.615 1 1 1136 . 8 1 1 A 90 90 VAL H H 90 6.846 7.947 -1.101 1 1 1137 . 8 1 1 A 90 90 VAL HA H 90 3.230 3.753 -0.523 1 1 1145 . 8 1 1 A 90 90 VAL C C 90 177.100 177.595 -0.495 1 1 1146 . 8 1 1 A 90 90 VAL CA C 90 65.870 64.514 1.356 1 1 1147 . 8 1 1 A 90 90 VAL CB C 90 30.880 31.319 -0.439 1 1 1150 . 8 1 1 A 90 90 VAL N N 90 117.560 119.377 -1.817 1 1 1151 . 8 1 1 A 91 91 LYS H H 91 7.850 7.849 0.001 1 1 1152 . 8 1 1 A 91 91 LYS HA H 91 3.430 4.068 -0.638 1 1 1161 . 8 1 1 A 91 91 LYS C C 91 178.420 177.751 0.669 1 1 1162 . 8 1 1 A 91 91 LYS CA C 91 61.028 58.737 2.291 1 1 1163 . 8 1 1 A 91 91 LYS CB C 91 32.387 31.870 0.517 1 1 1167 . 8 1 1 A 91 91 LYS N N 91 118.750 120.723 -1.973 1 1 1168 . 8 1 1 A 92 92 GLU H H 92 7.282 7.625 -0.343 1 1 1169 . 8 1 1 A 92 92 GLU HA H 92 3.990 4.105 -0.115 1 1 1174 . 8 1 1 A 92 92 GLU C C 92 179.380 176.975 2.405 1 1 1175 . 8 1 1 A 92 92 GLU CA C 92 59.030 58.468 0.562 1 1 1176 . 8 1 1 A 92 92 GLU CB C 92 29.841 29.263 0.578 1 1 1178 . 8 1 1 A 92 92 GLU N N 92 115.375 119.094 -3.719 1 1 1179 . 8 1 1 A 93 93 LYS H H 93 7.343 7.677 -0.334 1 1 1180 . 8 1 1 A 93 93 LYS HA H 93 3.800 4.345 -0.545 1 1 1189 . 8 1 1 A 93 93 LYS C C 93 178.310 176.034 2.276 1 1 1190 . 8 1 1 A 93 93 LYS CA C 93 56.970 57.311 -0.341 1 1 1191 . 8 1 1 A 93 93 LYS CB C 93 30.740 33.158 -2.418 1 1 1195 . 8 1 1 A 93 93 LYS N N 93 118.370 117.750 0.620 1 1 1196 . 8 1 1 A 94 94 LEU H H 94 8.000 8.165 -0.165 1 1 1197 . 8 1 1 A 94 94 LEU HA H 94 4.360 4.488 -0.128 1 1 1207 . 8 1 1 A 94 94 LEU C C 94 177.350 177.494 -0.144 1 1 1208 . 8 1 1 A 94 94 LEU CA C 94 54.765 54.326 0.439 1 1 1209 . 8 1 1 A 94 94 LEU CB C 94 42.796 42.544 0.252 1 1 1213 . 8 1 1 A 94 94 LEU N N 94 115.600 119.926 -4.326 1 1 1214 . 8 1 1 A 95 95 GLY H H 95 7.601 9.008 -1.407 1 1 1215 . 8 1 1 A 95 95 GLY HA2 H 95 3.830 3.844 -0.014 1 1 1216 . 8 1 1 A 95 95 GLY HA3 H 95 3.950 3.852 0.098 1 1 1217 . 8 1 1 A 95 95 GLY C C 95 174.790 174.711 0.079 1 1 1218 . 8 1 1 A 95 95 GLY CA C 95 46.550 46.882 -0.332 1 1 1219 . 8 1 1 A 95 95 GLY N N 95 108.540 113.116 -4.576 1 1 1220 . 8 1 1 A 96 96 VAL H H 96 7.957 7.756 0.201 1 1 1221 . 8 1 1 A 96 96 VAL HA H 96 3.940 4.345 -0.405 1 1 1229 . 8 1 1 A 96 96 VAL C C 96 175.540 175.541 -0.001 1 1 1230 . 8 1 1 A 96 96 VAL CA C 96 62.314 61.708 0.606 1 1 1231 . 8 1 1 A 96 96 VAL CB C 96 32.155 31.549 0.606 1 1 1234 . 8 1 1 A 96 96 VAL N N 96 119.490 118.227 1.263 1 1 1235 . 8 1 1 A 97 97 LYS H H 97 8.293 8.489 -0.196 1 1 1236 . 8 1 1 A 97 97 LYS HA H 97 4.210 4.739 -0.529 1 1 1245 . 8 1 1 A 97 97 LYS C C 97 176.290 175.572 0.718 1 1 1246 . 8 1 1 A 97 97 LYS CA C 97 56.174 55.052 1.122 1 1 1247 . 8 1 1 A 97 97 LYS CB C 97 33.200 34.530 -1.330 1 1 1251 . 8 1 1 A 97 97 LYS N N 97 126.120 127.957 -1.837 1 1 1252 . 8 1 1 A 98 98 LEU H H 98 8.315 8.973 -0.658 1 1 1253 . 8 1 1 A 98 98 LEU HA H 98 4.240 4.510 -0.270 1 1 1263 . 8 1 1 A 98 98 LEU C C 98 176.930 177.391 -0.461 1 1 1264 . 8 1 1 A 98 98 LEU CA C 98 54.800 54.546 0.254 1 1 1265 . 8 1 1 A 98 98 LEU CB C 98 42.217 40.554 1.663 1 1 1269 . 8 1 1 A 98 98 LEU N N 98 124.170 125.981 -1.811 1 1 1270 . 8 1 1 A 99 99 GLU H H 99 8.375 8.497 -0.122 1 1 1271 . 8 1 1 A 99 99 GLU HA H 99 4.175 4.333 -0.158 1 1 1276 . 8 1 1 A 99 99 GLU C C 99 176.035 177.508 -1.473 1 1 1277 . 8 1 1 A 99 99 GLU CA C 99 56.352 55.546 0.806 1 1 1278 . 8 1 1 A 99 99 GLU CB C 99 30.460 28.574 1.886 1 1 1280 . 8 1 1 A 99 99 GLU N N 99 122.010 122.212 -0.202 1 1 1281 . 8 1 1 A 100 100 HIS H H 100 8.350 8.328 0.022 1 1 1282 . 8 1 1 A 100 100 HIS HA H 100 4.565 4.556 0.009 1 1 1285 . 8 1 1 A 100 100 HIS C C 100 173.880 174.734 -0.854 1 1 1286 . 8 1 1 A 100 100 HIS CA C 100 56.050 57.498 -1.448 1 1 1287 . 8 1 1 A 100 100 HIS CB C 100 30.144 29.662 0.482 1 1 1288 . 8 1 1 A 100 100 HIS N N 100 120.245 118.605 1.640 1 1 1289 . 8 1 1 A 101 101 HIS H H 101 8.134 8.694 -0.560 1 1 1290 . 8 1 1 A 101 101 HIS HA H 101 4.410 4.069 0.341 1 1 1293 . 8 1 1 A 101 101 HIS CA C 101 57.290 56.903 0.387 1 1 1294 . 8 1 1 A 101 101 HIS CB C 101 31.450 28.644 2.806 1 1 1 . 9 1 1 A 2 2 ASP HA H 2 4.670 4.373 0.297 1 1 4 . 9 1 1 A 2 2 ASP C C 2 176.480 175.890 0.590 1 1 5 . 9 1 1 A 2 2 ASP CA C 2 53.400 56.213 -2.813 1 1 6 . 9 1 1 A 2 2 ASP CB C 2 41.170 39.417 1.753 1 1 7 . 9 1 1 A 3 3 LEU H H 3 8.650 8.717 -0.067 1 1 8 . 9 1 1 A 3 3 LEU HA H 3 4.116 4.214 -0.098 1 1 18 . 9 1 1 A 3 3 LEU C C 3 177.880 177.473 0.407 1 1 19 . 9 1 1 A 3 3 LEU CA C 3 56.390 55.964 0.426 1 1 20 . 9 1 1 A 3 3 LEU CB C 3 41.660 41.453 0.207 1 1 24 . 9 1 1 A 3 3 LEU N N 3 125.300 120.587 4.713 1 1 25 . 9 1 1 A 4 4 ASN H H 4 8.370 9.038 -0.668 1 1 26 . 9 1 1 A 4 4 ASN HA H 4 4.490 4.512 -0.022 1 1 31 . 9 1 1 A 4 4 ASN C C 4 175.050 175.976 -0.926 1 1 32 . 9 1 1 A 4 4 ASN CA C 4 54.320 54.377 -0.057 1 1 33 . 9 1 1 A 4 4 ASN CB C 4 38.240 37.149 1.091 1 1 34 . 9 1 1 A 4 4 ASN N N 4 116.550 120.197 -3.647 1 1 36 . 9 1 1 A 5 5 ARG H H 5 7.645 7.892 -0.247 1 1 37 . 9 1 1 A 5 5 ARG HA H 5 3.920 4.596 -0.676 1 1 45 . 9 1 1 A 5 5 ARG C C 5 176.030 175.147 0.883 1 1 46 . 9 1 1 A 5 5 ARG CA C 5 56.180 56.016 0.164 1 1 47 . 9 1 1 A 5 5 ARG CB C 5 31.570 31.796 -0.226 1 1 50 . 9 1 1 A 5 5 ARG N N 5 118.590 114.560 4.030 1 1 52 . 9 1 1 A 6 6 MET H H 6 7.809 7.556 0.253 1 1 53 . 9 1 1 A 6 6 MET HA H 6 4.355 4.969 -0.614 1 1 58 . 9 1 1 A 6 6 MET C C 6 176.940 174.942 1.998 1 1 59 . 9 1 1 A 6 6 MET CA C 6 56.290 53.597 2.693 1 1 60 . 9 1 1 A 6 6 MET CB C 6 33.020 35.848 -2.828 1 1 62 . 9 1 1 A 6 6 MET N N 6 120.180 119.691 0.489 1 1 63 . 9 1 1 A 7 7 GLY H H 7 8.906 8.411 0.495 1 1 64 . 9 1 1 A 7 7 GLY HA2 H 7 3.870 4.320 -0.450 1 1 65 . 9 1 1 A 7 7 GLY HA3 H 7 3.950 4.380 -0.430 1 1 66 . 9 1 1 A 7 7 GLY C C 7 174.280 172.895 1.385 1 1 67 . 9 1 1 A 7 7 GLY CA C 7 46.110 45.779 0.331 1 1 68 . 9 1 1 A 7 7 GLY N N 7 112.660 111.625 1.035 1 1 69 . 9 1 1 A 8 8 LYS H H 8 7.819 9.017 -1.198 1 1 70 . 9 1 1 A 8 8 LYS HA H 8 4.550 4.602 -0.052 1 1 79 . 9 1 1 A 8 8 LYS C C 8 176.060 174.527 1.533 1 1 80 . 9 1 1 A 8 8 LYS CA C 8 54.444 57.581 -3.137 1 1 81 . 9 1 1 A 8 8 LYS CB C 8 33.760 34.514 -0.754 1 1 85 . 9 1 1 A 8 8 LYS N N 8 119.130 122.466 -3.336 1 1 86 . 9 1 1 A 9 9 ASP H H 9 8.790 7.847 0.943 1 1 87 . 9 1 1 A 9 9 ASP HA H 9 4.730 5.124 -0.394 1 1 90 . 9 1 1 A 9 9 ASP C C 9 174.530 174.428 0.102 1 1 91 . 9 1 1 A 9 9 ASP CA C 9 54.560 53.177 1.383 1 1 92 . 9 1 1 A 9 9 ASP CB C 9 42.530 45.284 -2.754 1 1 93 . 9 1 1 A 9 9 ASP N N 9 121.550 117.329 4.221 1 1 94 . 9 1 1 A 10 10 GLU H H 10 7.950 8.848 -0.898 1 1 95 . 9 1 1 A 10 10 GLU HA H 10 4.570 5.566 -0.996 1 1 100 . 9 1 1 A 10 10 GLU C C 10 174.080 174.447 -0.367 1 1 101 . 9 1 1 A 10 10 GLU CA C 10 54.640 54.822 -0.182 1 1 102 . 9 1 1 A 10 10 GLU CB C 10 31.380 32.787 -1.407 1 1 104 . 9 1 1 A 10 10 GLU N N 10 119.640 119.096 0.544 1 1 105 . 9 1 1 A 11 11 TYR H H 11 8.767 9.178 -0.411 1 1 106 . 9 1 1 A 11 11 TYR HA H 11 4.555 5.441 -0.886 1 1 113 . 9 1 1 A 11 11 TYR C C 11 173.480 174.832 -1.352 1 1 114 . 9 1 1 A 11 11 TYR CA C 11 56.360 56.298 0.062 1 1 115 . 9 1 1 A 11 11 TYR CB C 11 43.860 40.646 3.214 1 1 120 . 9 1 1 A 11 11 TYR N N 11 120.960 122.169 -1.209 1 1 121 . 9 1 1 A 12 12 TYR H H 12 9.290 9.142 0.148 1 1 122 . 9 1 1 A 12 12 TYR HA H 12 5.730 5.156 0.574 1 1 129 . 9 1 1 A 12 12 TYR C C 12 175.700 176.005 -0.305 1 1 130 . 9 1 1 A 12 12 TYR CA C 12 56.680 57.667 -0.987 1 1 131 . 9 1 1 A 12 12 TYR CB C 12 42.180 38.164 4.016 1 1 136 . 9 1 1 A 12 12 TYR N N 12 118.880 124.083 -5.203 1 1 137 . 9 1 1 A 13 13 VAL H H 13 8.670 8.963 -0.293 1 1 138 . 9 1 1 A 13 13 VAL HA H 13 5.050 5.126 -0.076 1 1 146 . 9 1 1 A 13 13 VAL C C 13 174.820 175.053 -0.233 1 1 147 . 9 1 1 A 13 13 VAL CA C 13 58.130 59.873 -1.743 1 1 148 . 9 1 1 A 13 13 VAL CB C 13 35.890 34.956 0.934 1 1 151 . 9 1 1 A 13 13 VAL N N 13 112.280 118.488 -6.208 1 1 152 . 9 1 1 A 14 14 GLN H H 14 8.760 8.568 0.192 1 1 153 . 9 1 1 A 14 14 GLN HA H 14 5.090 4.728 0.362 1 1 160 . 9 1 1 A 14 14 GLN C C 14 175.000 175.441 -0.441 1 1 161 . 9 1 1 A 14 14 GLN CA C 14 53.520 55.080 -1.560 1 1 162 . 9 1 1 A 14 14 GLN CB C 14 31.250 29.177 2.073 1 1 164 . 9 1 1 A 14 14 GLN N N 14 120.910 123.103 -2.193 1 1 166 . 9 1 1 A 15 15 ILE H H 15 8.843 8.789 0.054 1 1 167 . 9 1 1 A 15 15 ILE HA H 15 3.900 4.044 -0.144 1 1 177 . 9 1 1 A 15 15 ILE C C 15 177.090 177.562 -0.472 1 1 178 . 9 1 1 A 15 15 ILE CA C 15 59.269 61.526 -2.257 1 1 179 . 9 1 1 A 15 15 ILE CB C 15 34.050 36.728 -2.678 1 1 183 . 9 1 1 A 15 15 ILE N N 15 125.520 123.156 2.364 1 1 184 . 9 1 1 A 16 16 THR H H 16 7.996 7.842 0.154 1 1 185 . 9 1 1 A 16 16 THR HA H 16 4.540 4.123 0.417 1 1 190 . 9 1 1 A 16 16 THR C C 16 173.650 174.817 -1.167 1 1 191 . 9 1 1 A 16 16 THR CA C 16 61.180 65.246 -4.066 1 1 192 . 9 1 1 A 16 16 THR CB C 16 69.300 68.196 1.104 1 1 194 . 9 1 1 A 16 16 THR N N 16 118.080 120.413 -2.333 1 1 195 . 9 1 1 A 17 17 VAL H H 17 7.240 7.540 -0.300 1 1 196 . 9 1 1 A 17 17 VAL HA H 17 4.659 4.722 -0.063 1 1 204 . 9 1 1 A 17 17 VAL C C 17 175.135 175.053 0.082 1 1 205 . 9 1 1 A 17 17 VAL CA C 17 58.870 59.984 -1.114 1 1 206 . 9 1 1 A 17 17 VAL CB C 17 36.070 34.406 1.664 1 1 209 . 9 1 1 A 17 17 VAL N N 17 113.230 118.172 -4.942 1 1 210 . 9 1 1 A 18 18 ASP H H 18 8.280 8.671 -0.391 1 1 211 . 9 1 1 A 18 18 ASP HA H 18 5.010 5.129 -0.119 1 1 214 . 9 1 1 A 18 18 ASP C C 18 177.350 175.982 1.368 1 1 215 . 9 1 1 A 18 18 ASP CA C 18 54.765 51.979 2.786 1 1 216 . 9 1 1 A 18 18 ASP CB C 18 42.120 42.738 -0.618 1 1 217 . 9 1 1 A 18 18 ASP N N 18 120.730 124.098 -3.368 1 1 218 . 9 1 1 A 19 19 GLY H H 19 8.951 8.893 0.058 1 1 219 . 9 1 1 A 19 19 GLY HA2 H 19 2.920 3.916 -0.996 1 1 220 . 9 1 1 A 19 19 GLY HA3 H 19 2.978 4.001 -1.023 1 1 221 . 9 1 1 A 19 19 GLY C C 19 172.450 174.862 -2.412 1 1 222 . 9 1 1 A 19 19 GLY CA C 19 45.370 45.687 -0.317 1 1 223 . 9 1 1 A 19 19 GLY N N 19 110.580 109.873 0.707 1 1 224 . 9 1 1 A 20 20 LYS H H 20 8.110 7.570 0.540 1 1 225 . 9 1 1 A 20 20 LYS HA H 20 4.374 4.182 0.192 1 1 234 . 9 1 1 A 20 20 LYS C C 20 175.710 175.330 0.380 1 1 235 . 9 1 1 A 20 20 LYS CA C 20 54.800 56.517 -1.717 1 1 236 . 9 1 1 A 20 20 LYS CB C 20 33.240 33.279 -0.039 1 1 240 . 9 1 1 A 20 20 LYS N N 20 124.290 120.866 3.424 1 1 241 . 9 1 1 A 21 21 GLU H H 21 8.710 8.762 -0.052 1 1 242 . 9 1 1 A 21 21 GLU HA H 21 3.930 4.903 -0.973 1 1 247 . 9 1 1 A 21 21 GLU C C 21 175.960 175.103 0.857 1 1 248 . 9 1 1 A 21 21 GLU CA C 21 56.940 54.156 2.784 1 1 249 . 9 1 1 A 21 21 GLU CB C 21 30.439 32.509 -2.070 1 1 251 . 9 1 1 A 21 21 GLU N N 21 128.720 122.892 5.828 1 1 252 . 9 1 1 A 22 22 VAL H H 22 8.621 8.524 0.097 1 1 253 . 9 1 1 A 22 22 VAL HA H 22 4.160 3.990 0.170 1 1 261 . 9 1 1 A 22 22 VAL C C 22 175.210 175.207 0.003 1 1 262 . 9 1 1 A 22 22 VAL CA C 22 61.027 61.668 -0.641 1 1 263 . 9 1 1 A 22 22 VAL CB C 22 34.501 30.758 3.743 1 1 266 . 9 1 1 A 22 22 VAL N N 22 125.340 123.770 1.570 1 1 267 . 9 1 1 A 23 23 HIS H H 23 8.607 7.488 1.119 1 1 268 . 9 1 1 A 23 23 HIS HA H 23 4.820 5.175 -0.355 1 1 273 . 9 1 1 A 23 23 HIS C C 23 175.040 175.139 -0.099 1 1 274 . 9 1 1 A 23 23 HIS CA C 23 55.498 54.377 1.121 1 1 275 . 9 1 1 A 23 23 HIS CB C 23 30.660 30.698 -0.038 1 1 278 . 9 1 1 A 23 23 HIS N N 23 124.000 121.278 2.722 1 1 279 . 9 1 1 A 24 24 SER H H 24 8.480 8.688 -0.208 1 1 280 . 9 1 1 A 24 24 SER HA H 24 4.480 4.048 0.432 1 1 283 . 9 1 1 A 24 24 SER C C 24 173.860 176.149 -2.289 1 1 284 . 9 1 1 A 24 24 SER CA C 24 57.690 61.662 -3.972 1 1 285 . 9 1 1 A 24 24 SER CB C 24 64.580 63.506 1.074 1 1 286 . 9 1 1 A 24 24 SER N N 24 118.250 118.572 -0.322 1 1 287 . 9 1 1 A 25 25 LYS H H 25 8.517 8.173 0.344 1 1 288 . 9 1 1 A 25 25 LYS HA H 25 4.561 4.535 0.026 1 1 297 . 9 1 1 A 25 25 LYS C C 25 176.160 176.851 -0.691 1 1 298 . 9 1 1 A 25 25 LYS CA C 25 56.255 55.671 0.584 1 1 299 . 9 1 1 A 25 25 LYS CB C 25 33.714 33.372 0.342 1 1 303 . 9 1 1 A 25 25 LYS N N 25 122.750 119.257 3.493 1 1 304 . 9 1 1 A 26 26 ALA H H 26 8.468 7.771 0.697 1 1 305 . 9 1 1 A 26 26 ALA HA H 26 4.470 3.941 0.529 1 1 309 . 9 1 1 A 26 26 ALA C C 26 177.950 176.431 1.519 1 1 310 . 9 1 1 A 26 26 ALA CA C 26 51.912 52.797 -0.885 1 1 311 . 9 1 1 A 26 26 ALA CB C 26 20.050 18.148 1.902 1 1 312 . 9 1 1 A 26 26 ALA N N 26 125.370 122.490 2.880 1 1 313 . 9 1 1 A 27 27 ASP H H 27 8.509 7.965 0.544 1 1 314 . 9 1 1 A 27 27 ASP HA H 27 4.460 4.600 -0.140 1 1 317 . 9 1 1 A 27 27 ASP C C 27 176.480 177.184 -0.704 1 1 318 . 9 1 1 A 27 27 ASP CA C 27 55.490 54.738 0.752 1 1 319 . 9 1 1 A 27 27 ASP CB C 27 40.771 42.426 -1.655 1 1 320 . 9 1 1 A 27 27 ASP N N 27 120.380 117.868 2.512 1 1 321 . 9 1 1 A 28 28 ASN H H 28 8.193 7.782 0.411 1 1 322 . 9 1 1 A 28 28 ASN HA H 28 4.620 4.815 -0.195 1 1 327 . 9 1 1 A 28 28 ASN C C 28 176.310 174.703 1.607 1 1 328 . 9 1 1 A 28 28 ASN CA C 28 53.050 52.713 0.337 1 1 329 . 9 1 1 A 28 28 ASN CB C 28 38.080 39.785 -1.705 1 1 330 . 9 1 1 A 28 28 ASN N N 28 117.470 114.727 2.743 1 1 332 . 9 1 1 A 29 29 GLY H H 29 8.359 7.347 1.012 1 1 333 . 9 1 1 A 29 29 GLY HA2 H 29 4.110 4.056 0.054 1 1 334 . 9 1 1 A 29 29 GLY HA3 H 29 3.720 4.061 -0.341 1 1 335 . 9 1 1 A 29 29 GLY C C 29 174.365 174.085 0.280 1 1 336 . 9 1 1 A 29 29 GLY CA C 29 45.688 45.368 0.320 1 1 337 . 9 1 1 A 29 29 GLY N N 29 108.230 106.552 1.678 1 1 338 . 9 1 1 A 30 30 GLN H H 30 7.920 7.902 0.018 1 1 339 . 9 1 1 A 30 30 GLN HA H 30 4.200 4.060 0.140 1 1 346 . 9 1 1 A 30 30 GLN C C 30 174.330 175.496 -1.166 1 1 347 . 9 1 1 A 30 30 GLN CA C 30 56.210 55.021 1.189 1 1 348 . 9 1 1 A 30 30 GLN CB C 30 29.320 27.587 1.733 1 1 350 . 9 1 1 A 30 30 GLN N N 30 119.670 119.619 0.051 1 1 352 . 9 1 1 A 31 31 LYS H H 31 8.390 8.441 -0.051 1 1 353 . 9 1 1 A 31 31 LYS HA H 31 4.490 4.346 0.144 1 1 362 . 9 1 1 A 31 31 LYS C C 31 176.052 175.790 0.262 1 1 363 . 9 1 1 A 31 31 LYS CA C 31 56.417 58.105 -1.688 1 1 364 . 9 1 1 A 31 31 LYS CB C 31 33.414 33.362 0.052 1 1 368 . 9 1 1 A 31 31 LYS N N 31 121.950 124.134 -2.184 1 1 369 . 9 1 1 A 32 32 TYR H H 32 8.160 7.326 0.834 1 1 370 . 9 1 1 A 32 32 TYR HA H 32 4.770 5.334 -0.564 1 1 377 . 9 1 1 A 32 32 TYR C C 32 175.560 173.500 2.060 1 1 378 . 9 1 1 A 32 32 TYR CA C 32 56.300 55.718 0.582 1 1 379 . 9 1 1 A 32 32 TYR CB C 32 40.074 42.219 -2.145 1 1 384 . 9 1 1 A 32 32 TYR N N 32 119.960 115.934 4.026 1 1 385 . 9 1 1 A 33 33 LYS H H 33 8.397 8.708 -0.311 1 1 386 . 9 1 1 A 33 33 LYS HA H 33 4.610 4.713 -0.103 1 1 395 . 9 1 1 A 33 33 LYS C C 33 174.080 174.639 -0.559 1 1 396 . 9 1 1 A 33 33 LYS CA C 33 55.512 55.524 -0.012 1 1 397 . 9 1 1 A 33 33 LYS CB C 33 34.570 35.308 -0.738 1 1 401 . 9 1 1 A 33 33 LYS N N 33 122.080 122.019 0.061 1 1 402 . 9 1 1 A 34 34 ASP H H 34 8.140 9.036 -0.896 1 1 403 . 9 1 1 A 34 34 ASP HA H 34 5.040 5.440 -0.400 1 1 406 . 9 1 1 A 34 34 ASP C C 34 173.740 174.710 -0.970 1 1 407 . 9 1 1 A 34 34 ASP CA C 34 53.104 52.779 0.325 1 1 408 . 9 1 1 A 34 34 ASP CB C 34 44.290 44.030 0.260 1 1 409 . 9 1 1 A 34 34 ASP N N 34 121.430 126.079 -4.649 1 1 410 . 9 1 1 A 35 35 TYR H H 35 8.849 9.077 -0.228 1 1 411 . 9 1 1 A 35 35 TYR HA H 35 4.660 5.228 -0.568 1 1 418 . 9 1 1 A 35 35 TYR C C 35 174.450 174.338 0.112 1 1 419 . 9 1 1 A 35 35 TYR CA C 35 57.177 57.057 0.120 1 1 420 . 9 1 1 A 35 35 TYR CB C 35 40.955 41.580 -0.625 1 1 425 . 9 1 1 A 35 35 TYR N N 35 116.670 119.583 -2.913 1 1 426 . 9 1 1 A 36 36 GLU H H 36 9.144 8.948 0.196 1 1 427 . 9 1 1 A 36 36 GLU HA H 36 4.615 5.050 -0.435 1 1 432 . 9 1 1 A 36 36 GLU C C 36 175.850 173.897 1.953 1 1 433 . 9 1 1 A 36 36 GLU CA C 36 55.700 54.771 0.929 1 1 434 . 9 1 1 A 36 36 GLU CB C 36 32.541 33.487 -0.946 1 1 436 . 9 1 1 A 36 36 GLU N N 36 122.490 120.984 1.506 1 1 437 . 9 1 1 A 37 37 TYR H H 37 8.598 8.852 -0.254 1 1 438 . 9 1 1 A 37 37 TYR HA H 37 4.090 4.807 -0.717 1 1 445 . 9 1 1 A 37 37 TYR C C 37 174.140 173.782 0.358 1 1 446 . 9 1 1 A 37 37 TYR CA C 37 58.399 56.109 2.290 1 1 447 . 9 1 1 A 37 37 TYR CB C 37 41.690 40.116 1.574 1 1 452 . 9 1 1 A 37 37 TYR N N 37 122.480 124.356 -1.876 1 1 453 . 9 1 1 A 38 38 LYS H H 38 8.410 8.872 -0.462 1 1 454 . 9 1 1 A 38 38 LYS HA H 38 5.080 4.713 0.367 1 1 463 . 9 1 1 A 38 38 LYS C C 38 174.980 175.143 -0.163 1 1 464 . 9 1 1 A 38 38 LYS CA C 38 56.133 55.110 1.023 1 1 465 . 9 1 1 A 38 38 LYS CB C 38 33.525 33.638 -0.113 1 1 469 . 9 1 1 A 38 38 LYS N N 38 124.250 126.058 -1.808 1 1 470 . 9 1 1 A 39 39 LEU H H 39 8.555 8.936 -0.381 1 1 471 . 9 1 1 A 39 39 LEU HA H 39 4.865 4.938 -0.073 1 1 480 . 9 1 1 A 39 39 LEU C C 39 175.120 175.455 -0.335 1 1 481 . 9 1 1 A 39 39 LEU CA C 39 53.316 53.149 0.167 1 1 482 . 9 1 1 A 39 39 LEU CB C 39 47.338 45.585 1.753 1 1 485 . 9 1 1 A 39 39 LEU N N 39 124.840 128.249 -3.409 1 1 486 . 9 1 1 A 40 40 THR H H 40 8.615 8.478 0.137 1 1 487 . 9 1 1 A 40 40 THR HA H 40 4.410 4.590 -0.180 1 1 492 . 9 1 1 A 40 40 THR C C 40 173.360 173.861 -0.501 1 1 493 . 9 1 1 A 40 40 THR CA C 40 63.200 60.452 2.748 1 1 494 . 9 1 1 A 40 40 THR CB C 40 69.100 69.493 -0.393 1 1 496 . 9 1 1 A 40 40 THR N N 40 118.390 117.050 1.340 1 1 497 . 9 1 1 A 41 41 GLY H H 41 8.545 8.758 -0.213 1 1 498 . 9 1 1 A 41 41 GLY HA2 H 41 3.030 3.611 -0.581 1 1 499 . 9 1 1 A 41 41 GLY HA3 H 41 4.910 3.829 1.081 1 1 500 . 9 1 1 A 41 41 GLY C C 41 171.375 172.852 -1.477 1 1 501 . 9 1 1 A 41 41 GLY CA C 41 43.963 45.616 -1.653 1 1 502 . 9 1 1 A 41 41 GLY N N 41 113.500 113.650 -0.150 1 1 503 . 9 1 1 A 42 42 PHE H H 42 8.650 8.799 -0.149 1 1 504 . 9 1 1 A 42 42 PHE HA H 42 5.910 5.241 0.669 1 1 512 . 9 1 1 A 42 42 PHE C C 42 176.670 175.777 0.893 1 1 513 . 9 1 1 A 42 42 PHE CA C 42 56.260 57.816 -1.556 1 1 514 . 9 1 1 A 42 42 PHE CB C 42 44.750 39.909 4.841 1 1 520 . 9 1 1 A 42 42 PHE N N 42 113.300 125.952 -12.652 1 1 521 . 9 1 1 A 43 43 ASP H H 43 9.040 8.767 0.273 1 1 522 . 9 1 1 A 43 43 ASP HA H 43 5.100 4.774 0.326 1 1 525 . 9 1 1 A 43 43 ASP C C 43 177.790 177.390 0.400 1 1 526 . 9 1 1 A 43 43 ASP CA C 43 51.990 54.525 -2.535 1 1 527 . 9 1 1 A 43 43 ASP CB C 43 41.660 42.689 -1.029 1 1 528 . 9 1 1 A 43 43 ASP N N 43 123.450 124.774 -1.324 1 1 529 . 9 1 1 A 44 44 LYS H H 44 8.689 8.660 0.029 1 1 530 . 9 1 1 A 44 44 LYS HA H 44 3.920 3.903 0.017 1 1 539 . 9 1 1 A 44 44 LYS C C 44 175.450 178.275 -2.825 1 1 540 . 9 1 1 A 44 44 LYS CA C 44 58.730 59.892 -1.162 1 1 541 . 9 1 1 A 44 44 LYS CB C 44 31.707 32.095 -0.388 1 1 545 . 9 1 1 A 44 44 LYS N N 44 113.360 124.760 -11.400 1 1 546 . 9 1 1 A 45 45 ASP H H 45 8.178 7.562 0.616 1 1 547 . 9 1 1 A 45 45 ASP HA H 45 4.930 4.699 0.231 1 1 550 . 9 1 1 A 45 45 ASP C C 45 176.710 176.246 0.464 1 1 551 . 9 1 1 A 45 45 ASP CA C 45 54.501 54.331 0.170 1 1 552 . 9 1 1 A 45 45 ASP CB C 45 42.260 41.305 0.955 1 1 553 . 9 1 1 A 45 45 ASP N N 45 119.050 116.144 2.906 1 1 554 . 9 1 1 A 46 46 GLY H H 46 8.853 8.010 0.843 1 1 555 . 9 1 1 A 46 46 GLY HA2 H 46 4.120 4.086 0.034 1 1 556 . 9 1 1 A 46 46 GLY HA3 H 46 3.350 4.112 -0.762 1 1 557 . 9 1 1 A 46 46 GLY C C 46 173.020 174.277 -1.257 1 1 558 . 9 1 1 A 46 46 GLY CA C 46 45.510 45.187 0.323 1 1 559 . 9 1 1 A 46 46 GLY N N 46 110.250 107.222 3.028 1 1 560 . 9 1 1 A 47 47 LYS H H 47 8.640 7.900 0.740 1 1 561 . 9 1 1 A 47 47 LYS HA H 47 4.320 4.692 -0.372 1 1 570 . 9 1 1 A 47 47 LYS C C 47 176.180 175.938 0.242 1 1 571 . 9 1 1 A 47 47 LYS CA C 47 57.200 55.008 2.192 1 1 572 . 9 1 1 A 47 47 LYS CB C 47 32.300 34.354 -2.054 1 1 576 . 9 1 1 A 47 47 LYS N N 47 123.450 119.227 4.223 1 1 577 . 9 1 1 A 48 48 GLU H H 48 8.510 8.950 -0.440 1 1 578 . 9 1 1 A 48 48 GLU HA H 48 4.914 5.200 -0.286 1 1 583 . 9 1 1 A 48 48 GLU C C 48 176.545 174.856 1.689 1 1 584 . 9 1 1 A 48 48 GLU CA C 48 55.540 55.099 0.441 1 1 585 . 9 1 1 A 48 48 GLU CB C 48 32.850 32.443 0.407 1 1 587 . 9 1 1 A 48 48 GLU N N 48 123.300 118.361 4.939 1 1 588 . 9 1 1 A 49 49 LYS H H 49 8.304 8.469 -0.165 1 1 589 . 9 1 1 A 49 49 LYS HA H 49 4.080 4.938 -0.858 1 1 598 . 9 1 1 A 49 49 LYS C C 49 173.870 174.876 -1.006 1 1 599 . 9 1 1 A 49 49 LYS CA C 49 54.797 54.719 0.078 1 1 600 . 9 1 1 A 49 49 LYS CB C 49 36.248 36.035 0.213 1 1 604 . 9 1 1 A 49 49 LYS N N 49 123.450 122.340 1.110 1 1 605 . 9 1 1 A 50 50 GLU H H 50 8.377 8.532 -0.155 1 1 606 . 9 1 1 A 50 50 GLU HA H 50 4.298 4.428 -0.130 1 1 611 . 9 1 1 A 50 50 GLU C C 50 175.090 175.418 -0.328 1 1 612 . 9 1 1 A 50 50 GLU CA C 50 56.950 56.538 0.412 1 1 613 . 9 1 1 A 50 50 GLU CB C 50 29.872 30.035 -0.163 1 1 615 . 9 1 1 A 50 50 GLU N N 50 127.100 125.536 1.564 1 1 616 . 9 1 1 A 51 51 LEU H H 51 8.934 8.394 0.540 1 1 617 . 9 1 1 A 51 51 LEU HA H 51 4.517 4.663 -0.146 1 1 627 . 9 1 1 A 51 51 LEU C C 51 174.890 174.951 -0.061 1 1 628 . 9 1 1 A 51 51 LEU CA C 51 53.817 54.181 -0.364 1 1 629 . 9 1 1 A 51 51 LEU CB C 51 45.254 42.815 2.439 1 1 633 . 9 1 1 A 51 51 LEU N N 51 127.790 126.332 1.458 1 1 634 . 9 1 1 A 52 52 GLU H H 52 8.360 9.028 -0.668 1 1 635 . 9 1 1 A 52 52 GLU HA H 52 5.417 4.969 0.448 1 1 640 . 9 1 1 A 52 52 GLU C C 52 174.890 175.706 -0.816 1 1 641 . 9 1 1 A 52 52 GLU CA C 52 54.519 55.397 -0.878 1 1 642 . 9 1 1 A 52 52 GLU CB C 52 32.500 30.700 1.800 1 1 644 . 9 1 1 A 52 52 GLU N N 52 121.180 126.794 -5.614 1 1 645 . 9 1 1 A 53 53 PHE H H 53 8.465 8.787 -0.322 1 1 646 . 9 1 1 A 53 53 PHE HA H 53 5.130 5.551 -0.421 1 1 654 . 9 1 1 A 53 53 PHE C C 53 172.660 173.033 -0.373 1 1 655 . 9 1 1 A 53 53 PHE CA C 53 56.508 55.568 0.940 1 1 656 . 9 1 1 A 53 53 PHE CB C 53 40.095 41.918 -1.823 1 1 662 . 9 1 1 A 53 53 PHE N N 53 118.940 120.937 -1.997 1 1 663 . 9 1 1 A 54 54 THR H H 54 8.622 9.131 -0.509 1 1 664 . 9 1 1 A 54 54 THR HA H 54 5.530 5.305 0.225 1 1 669 . 9 1 1 A 54 54 THR C C 54 173.470 174.086 -0.616 1 1 670 . 9 1 1 A 54 54 THR CA C 54 60.148 60.073 0.075 1 1 671 . 9 1 1 A 54 54 THR CB C 54 71.820 71.482 0.338 1 1 673 . 9 1 1 A 54 54 THR N N 54 112.280 111.858 0.422 1 1 674 . 9 1 1 A 55 55 ALA H H 55 9.710 9.017 0.693 1 1 675 . 9 1 1 A 55 55 ALA HA H 55 5.354 5.263 0.091 1 1 679 . 9 1 1 A 55 55 ALA C C 55 176.720 176.588 0.132 1 1 680 . 9 1 1 A 55 55 ALA CA C 55 50.568 51.205 -0.637 1 1 681 . 9 1 1 A 55 55 ALA CB C 55 24.180 24.018 0.162 1 1 682 . 9 1 1 A 55 55 ALA N N 55 126.340 122.829 3.511 1 1 683 . 9 1 1 A 56 56 GLN H H 56 9.130 8.959 0.171 1 1 684 . 9 1 1 A 56 56 GLN HA H 56 5.030 4.607 0.423 1 1 691 . 9 1 1 A 56 56 GLN C C 56 174.960 175.467 -0.507 1 1 692 . 9 1 1 A 56 56 GLN CA C 56 56.820 55.942 0.878 1 1 693 . 9 1 1 A 56 56 GLN CB C 56 29.180 29.326 -0.146 1 1 695 . 9 1 1 A 56 56 GLN N N 56 118.540 118.921 -0.381 1 1 697 . 9 1 1 A 57 57 LYS H H 57 7.656 7.618 0.038 1 1 698 . 9 1 1 A 57 57 LYS HA H 57 4.360 4.656 -0.296 1 1 707 . 9 1 1 A 57 57 LYS C C 57 172.490 174.021 -1.531 1 1 708 . 9 1 1 A 57 57 LYS CA C 57 54.351 55.673 -1.322 1 1 709 . 9 1 1 A 57 57 LYS CB C 57 35.360 36.405 -1.045 1 1 713 . 9 1 1 A 57 57 LYS N N 57 116.270 119.127 -2.857 1 1 714 . 9 1 1 A 58 58 ASN H H 58 7.709 8.203 -0.494 1 1 715 . 9 1 1 A 58 58 ASN HA H 58 4.000 5.074 -1.074 1 1 720 . 9 1 1 A 58 58 ASN C C 58 175.490 175.438 0.052 1 1 721 . 9 1 1 A 58 58 ASN CA C 58 53.498 52.675 0.823 1 1 722 . 9 1 1 A 58 58 ASN CB C 58 38.538 39.337 -0.799 1 1 723 . 9 1 1 A 58 58 ASN N N 58 117.960 121.843 -3.883 1 1 725 . 9 1 1 A 59 59 LEU H H 59 7.940 8.589 -0.649 1 1 726 . 9 1 1 A 59 59 LEU HA H 59 3.950 4.915 -0.965 1 1 736 . 9 1 1 A 59 59 LEU C C 59 176.410 176.601 -0.191 1 1 737 . 9 1 1 A 59 59 LEU CA C 59 54.550 52.871 1.679 1 1 738 . 9 1 1 A 59 59 LEU CB C 59 42.370 42.857 -0.487 1 1 742 . 9 1 1 A 59 59 LEU N N 59 128.190 120.842 7.348 1 1 743 . 9 1 1 A 60 60 ARG H H 60 8.355 8.354 0.001 1 1 744 . 9 1 1 A 60 60 ARG HA H 60 3.870 4.518 -0.648 1 1 752 . 9 1 1 A 60 60 ARG C C 60 175.350 176.227 -0.877 1 1 753 . 9 1 1 A 60 60 ARG CA C 60 56.695 55.718 0.977 1 1 754 . 9 1 1 A 60 60 ARG CB C 60 31.290 31.442 -0.152 1 1 757 . 9 1 1 A 60 60 ARG N N 60 123.759 119.119 4.640 1 1 759 . 9 1 1 A 61 61 LYS H H 61 8.178 8.685 -0.507 1 1 760 . 9 1 1 A 61 61 LYS HA H 61 3.680 4.162 -0.482 1 1 769 . 9 1 1 A 61 61 LYS C C 61 177.290 176.395 0.895 1 1 770 . 9 1 1 A 61 61 LYS CA C 61 58.733 57.103 1.630 1 1 771 . 9 1 1 A 61 61 LYS CB C 61 31.564 32.827 -1.263 1 1 775 . 9 1 1 A 61 61 LYS N N 61 125.600 123.748 1.852 1 1 776 . 9 1 1 A 62 62 GLU H H 62 8.949 9.198 -0.249 1 1 777 . 9 1 1 A 62 62 GLU HA H 62 3.340 4.008 -0.668 1 1 782 . 9 1 1 A 62 62 GLU C C 62 176.170 175.386 0.784 1 1 783 . 9 1 1 A 62 62 GLU CA C 62 59.156 57.824 1.332 1 1 784 . 9 1 1 A 62 62 GLU CB C 62 28.040 29.312 -1.272 1 1 786 . 9 1 1 A 62 62 GLU N N 62 112.860 120.192 -7.332 1 1 787 . 9 1 1 A 63 63 ALA H H 63 7.604 7.354 0.250 1 1 788 . 9 1 1 A 63 63 ALA HA H 63 4.020 4.447 -0.427 1 1 792 . 9 1 1 A 63 63 ALA C C 63 175.530 177.438 -1.908 1 1 793 . 9 1 1 A 63 63 ALA CA C 63 53.074 52.609 0.465 1 1 794 . 9 1 1 A 63 63 ALA CB C 63 19.323 19.954 -0.631 1 1 795 . 9 1 1 A 63 63 ALA N N 63 122.700 124.680 -1.980 1 1 796 . 9 1 1 A 64 64 PHE H H 64 8.876 8.767 0.109 1 1 797 . 9 1 1 A 64 64 PHE HA H 64 5.470 5.131 0.339 1 1 802 . 9 1 1 A 64 64 PHE C C 64 175.480 175.031 0.449 1 1 803 . 9 1 1 A 64 64 PHE CA C 64 56.780 57.250 -0.470 1 1 804 . 9 1 1 A 64 64 PHE CB C 64 41.566 40.159 1.407 1 1 807 . 9 1 1 A 64 64 PHE N N 64 118.670 120.423 -1.753 1 1 808 . 9 1 1 A 65 65 LEU H H 65 8.870 9.434 -0.564 1 1 809 . 9 1 1 A 65 65 LEU HA H 65 5.390 4.896 0.494 1 1 819 . 9 1 1 A 65 65 LEU C C 65 176.030 175.558 0.472 1 1 820 . 9 1 1 A 65 65 LEU CA C 65 52.926 54.140 -1.214 1 1 821 . 9 1 1 A 65 65 LEU CB C 65 45.561 41.944 3.617 1 1 825 . 9 1 1 A 65 65 LEU N N 65 118.700 125.842 -7.142 1 1 826 . 9 1 1 A 66 66 ARG H H 66 9.031 9.092 -0.061 1 1 827 . 9 1 1 A 66 66 ARG HA H 66 4.345 4.178 0.167 1 1 835 . 9 1 1 A 66 66 ARG C C 66 174.220 175.183 -0.963 1 1 836 . 9 1 1 A 66 66 ARG CA C 66 54.957 55.456 -0.499 1 1 837 . 9 1 1 A 66 66 ARG CB C 66 32.885 29.370 3.515 1 1 840 . 9 1 1 A 66 66 ARG N N 66 121.590 125.724 -4.134 1 1 842 . 9 1 1 A 67 67 VAL H H 67 9.359 8.127 1.232 1 1 843 . 9 1 1 A 67 67 VAL HA H 67 4.400 4.597 -0.197 1 1 851 . 9 1 1 A 67 67 VAL C C 67 174.070 174.509 -0.439 1 1 852 . 9 1 1 A 67 67 VAL CA C 67 60.910 61.571 -0.661 1 1 853 . 9 1 1 A 67 67 VAL CB C 67 33.960 32.658 1.302 1 1 856 . 9 1 1 A 67 67 VAL N N 67 126.230 122.679 3.551 1 1 857 . 9 1 1 A 68 68 TYR H H 68 8.710 9.143 -0.433 1 1 858 . 9 1 1 A 68 68 TYR HA H 68 5.070 4.696 0.374 1 1 865 . 9 1 1 A 68 68 TYR C C 68 175.390 174.574 0.816 1 1 866 . 9 1 1 A 68 68 TYR CA C 68 57.290 57.130 0.160 1 1 867 . 9 1 1 A 68 68 TYR CB C 68 38.690 38.709 -0.019 1 1 872 . 9 1 1 A 68 68 TYR N N 68 125.200 127.230 -2.030 1 1 873 . 9 1 1 A 69 69 HIS H H 69 9.224 8.944 0.280 1 1 874 . 9 1 1 A 69 69 HIS HA H 69 5.200 5.115 0.085 1 1 879 . 9 1 1 A 69 69 HIS C C 69 173.600 174.374 -0.774 1 1 880 . 9 1 1 A 69 69 HIS CA C 69 56.502 54.975 1.527 1 1 881 . 9 1 1 A 69 69 HIS CB C 69 35.873 30.013 5.860 1 1 884 . 9 1 1 A 69 69 HIS N N 69 124.780 129.109 -4.329 1 1 885 . 9 1 1 A 70 70 SER H H 70 7.425 8.558 -1.133 1 1 886 . 9 1 1 A 70 70 SER HA H 70 4.800 4.458 0.342 1 1 889 . 9 1 1 A 70 70 SER C C 70 173.790 174.985 -1.195 1 1 890 . 9 1 1 A 70 70 SER CA C 70 56.840 56.259 0.581 1 1 891 . 9 1 1 A 70 70 SER CB C 70 66.500 66.105 0.395 1 1 892 . 9 1 1 A 70 70 SER N N 70 118.910 118.615 0.295 1 1 893 . 9 1 1 A 71 71 ASP H H 71 9.020 8.698 0.322 1 1 894 . 9 1 1 A 71 71 ASP HA H 71 4.390 4.212 0.178 1 1 897 . 9 1 1 A 71 71 ASP C C 71 178.030 178.310 -0.280 1 1 898 . 9 1 1 A 71 71 ASP CA C 71 57.220 56.681 0.539 1 1 899 . 9 1 1 A 71 71 ASP CB C 71 40.622 40.993 -0.371 1 1 900 . 9 1 1 A 71 71 ASP N N 71 123.340 120.819 2.521 1 1 901 . 9 1 1 A 72 72 LYS H H 72 8.220 7.931 0.289 1 1 902 . 9 1 1 A 72 72 LYS HA H 72 4.123 4.186 -0.063 1 1 911 . 9 1 1 A 72 72 LYS C C 72 177.560 177.822 -0.262 1 1 912 . 9 1 1 A 72 72 LYS CA C 72 58.383 59.067 -0.684 1 1 913 . 9 1 1 A 72 72 LYS CB C 72 32.778 32.466 0.312 1 1 917 . 9 1 1 A 72 72 LYS N N 72 116.640 120.819 -4.179 1 1 918 . 9 1 1 A 73 73 LYS H H 73 7.367 7.626 -0.259 1 1 919 . 9 1 1 A 73 73 LYS HA H 73 4.449 4.517 -0.068 1 1 928 . 9 1 1 A 73 73 LYS C C 73 176.750 176.771 -0.021 1 1 929 . 9 1 1 A 73 73 LYS CA C 73 55.614 55.122 0.492 1 1 930 . 9 1 1 A 73 73 LYS CB C 73 33.910 32.798 1.112 1 1 934 . 9 1 1 A 73 73 LYS N N 73 115.780 116.220 -0.440 1 1 935 . 9 1 1 A 74 74 GLY H H 74 8.240 8.444 -0.204 1 1 936 . 9 1 1 A 74 74 GLY HA2 H 74 3.630 3.954 -0.324 1 1 937 . 9 1 1 A 74 74 GLY HA3 H 74 4.240 4.011 0.229 1 1 938 . 9 1 1 A 74 74 GLY C C 74 174.817 173.606 1.211 1 1 939 . 9 1 1 A 74 74 GLY CA C 74 45.075 45.888 -0.813 1 1 940 . 9 1 1 A 74 74 GLY N N 74 110.370 107.904 2.466 1 1 941 . 9 1 1 A 75 75 VAL H H 75 9.140 8.080 1.060 1 1 942 . 9 1 1 A 75 75 VAL HA H 75 4.640 4.767 -0.127 1 1 950 . 9 1 1 A 75 75 VAL C C 75 177.000 174.994 2.006 1 1 951 . 9 1 1 A 75 75 VAL CA C 75 63.550 61.014 2.536 1 1 952 . 9 1 1 A 75 75 VAL CB C 75 32.237 34.527 -2.290 1 1 955 . 9 1 1 A 75 75 VAL N N 75 124.300 120.525 3.775 1 1 956 . 9 1 1 A 76 76 SER H H 76 9.020 8.821 0.199 1 1 957 . 9 1 1 A 76 76 SER HA H 76 4.640 4.641 -0.001 1 1 960 . 9 1 1 A 76 76 SER C C 76 174.250 173.898 0.352 1 1 961 . 9 1 1 A 76 76 SER CA C 76 58.440 59.333 -0.893 1 1 962 . 9 1 1 A 76 76 SER CB C 76 64.550 64.902 -0.352 1 1 963 . 9 1 1 A 76 76 SER N N 76 122.490 122.071 0.419 1 1 964 . 9 1 1 A 77 77 ALA H H 77 7.890 7.743 0.147 1 1 965 . 9 1 1 A 77 77 ALA HA H 77 4.420 4.636 -0.216 1 1 969 . 9 1 1 A 77 77 ALA C C 77 174.430 175.265 -0.835 1 1 970 . 9 1 1 A 77 77 ALA CA C 77 51.940 51.261 0.679 1 1 971 . 9 1 1 A 77 77 ALA CB C 77 22.234 22.777 -0.543 1 1 972 . 9 1 1 A 77 77 ALA N N 77 122.930 120.134 2.796 1 1 973 . 9 1 1 A 78 78 TRP H H 78 7.776 8.392 -0.616 1 1 974 . 9 1 1 A 78 78 TRP HA H 78 5.690 5.403 0.287 1 1 982 . 9 1 1 A 78 78 TRP C C 78 174.450 173.424 1.026 1 1 983 . 9 1 1 A 78 78 TRP CA C 78 55.899 55.868 0.031 1 1 984 . 9 1 1 A 78 78 TRP CB C 78 32.602 32.121 0.481 1 1 989 . 9 1 1 A 78 78 TRP N N 78 114.705 116.969 -2.264 1 1 991 . 9 1 1 A 79 79 GLU H H 79 9.210 8.457 0.753 1 1 992 . 9 1 1 A 79 79 GLU HA H 79 4.730 5.081 -0.351 1 1 997 . 9 1 1 A 79 79 GLU C C 79 174.130 174.715 -0.585 1 1 998 . 9 1 1 A 79 79 GLU CA C 79 54.939 54.816 0.123 1 1 999 . 9 1 1 A 79 79 GLU CB C 79 31.656 33.098 -1.442 1 1 1001 . 9 1 1 A 79 79 GLU N N 79 114.860 121.460 -6.600 1 1 1002 . 9 1 1 A 80 80 GLU H H 80 9.120 8.716 0.404 1 1 1003 . 9 1 1 A 80 80 GLU HA H 80 5.030 4.948 0.082 1 1 1008 . 9 1 1 A 80 80 GLU C C 80 176.580 176.483 0.097 1 1 1009 . 9 1 1 A 80 80 GLU CA C 80 57.193 55.892 1.301 1 1 1010 . 9 1 1 A 80 80 GLU CB C 80 29.856 31.341 -1.485 1 1 1012 . 9 1 1 A 80 80 GLU N N 80 123.960 123.204 0.756 1 1 1013 . 9 1 1 A 81 81 VAL H H 81 8.694 9.471 -0.777 1 1 1014 . 9 1 1 A 81 81 VAL HA H 81 4.780 5.035 -0.255 1 1 1022 . 9 1 1 A 81 81 VAL C C 81 174.460 174.559 -0.099 1 1 1023 . 9 1 1 A 81 81 VAL CA C 81 58.927 58.914 0.013 1 1 1024 . 9 1 1 A 81 81 VAL CB C 81 35.550 35.786 -0.236 1 1 1027 . 9 1 1 A 81 81 VAL N N 81 118.990 120.514 -1.524 1 1 1028 . 9 1 1 A 82 82 LYS H H 82 8.708 8.693 0.015 1 1 1029 . 9 1 1 A 82 82 LYS HA H 82 4.580 4.827 -0.247 1 1 1038 . 9 1 1 A 82 82 LYS C C 82 178.380 177.594 0.786 1 1 1039 . 9 1 1 A 82 82 LYS CA C 82 55.212 54.300 0.912 1 1 1040 . 9 1 1 A 82 82 LYS CB C 82 33.689 34.735 -1.046 1 1 1044 . 9 1 1 A 82 82 LYS N N 82 120.850 121.555 -0.705 1 1 1045 . 9 1 1 A 83 83 LYS H H 83 8.870 8.914 -0.044 1 1 1046 . 9 1 1 A 83 83 LYS HA H 83 3.180 3.755 -0.575 1 1 1055 . 9 1 1 A 83 83 LYS C C 83 177.690 178.147 -0.457 1 1 1056 . 9 1 1 A 83 83 LYS CA C 83 59.370 58.614 0.756 1 1 1057 . 9 1 1 A 83 83 LYS CB C 83 32.209 31.962 0.247 1 1 1061 . 9 1 1 A 83 83 LYS N N 83 121.435 122.138 -0.703 1 1 1062 . 9 1 1 A 84 84 ASP H H 84 8.059 8.300 -0.241 1 1 1063 . 9 1 1 A 84 84 ASP HA H 84 4.220 4.405 -0.185 1 1 1066 . 9 1 1 A 84 84 ASP C C 84 177.100 178.274 -1.174 1 1 1067 . 9 1 1 A 84 84 ASP CA C 84 55.680 56.783 -1.103 1 1 1068 . 9 1 1 A 84 84 ASP CB C 84 40.392 40.227 0.165 1 1 1069 . 9 1 1 A 84 84 ASP N N 84 112.520 119.691 -7.171 1 1 1070 . 9 1 1 A 85 85 GLU H H 85 7.686 7.716 -0.030 1 1 1071 . 9 1 1 A 85 85 GLU HA H 85 4.136 4.353 -0.217 1 1 1076 . 9 1 1 A 85 85 GLU C C 85 176.270 176.749 -0.479 1 1 1077 . 9 1 1 A 85 85 GLU CA C 85 56.133 56.812 -0.679 1 1 1078 . 9 1 1 A 85 85 GLU CB C 85 30.479 30.215 0.264 1 1 1080 . 9 1 1 A 85 85 GLU N N 85 116.930 116.827 0.103 1 1 1081 . 9 1 1 A 86 86 LEU H H 86 7.017 6.993 0.024 1 1 1082 . 9 1 1 A 86 86 LEU HA H 86 3.710 4.253 -0.543 1 1 1092 . 9 1 1 A 86 86 LEU CA C 86 52.600 52.895 -0.295 1 1 1093 . 9 1 1 A 86 86 LEU CB C 86 42.120 41.726 0.394 1 1 1097 . 9 1 1 A 86 86 LEU N N 86 119.530 122.523 -2.993 1 1 1098 . 9 1 1 A 87 87 PRO HA H 87 4.330 4.555 -0.225 1 1 1105 . 9 1 1 A 87 87 PRO C C 87 176.940 177.337 -0.397 1 1 1106 . 9 1 1 A 87 87 PRO CA C 87 62.400 62.593 -0.193 1 1 1107 . 9 1 1 A 87 87 PRO CB C 87 32.537 32.690 -0.153 1 1 1110 . 9 1 1 A 88 88 ALA H H 88 8.943 8.682 0.261 1 1 1111 . 9 1 1 A 88 88 ALA HA H 88 3.780 4.002 -0.222 1 1 1115 . 9 1 1 A 88 88 ALA C C 88 180.520 179.858 0.662 1 1 1116 . 9 1 1 A 88 88 ALA CA C 88 56.911 55.268 1.643 1 1 1117 . 9 1 1 A 88 88 ALA CB C 88 18.502 18.133 0.369 1 1 1118 . 9 1 1 A 88 88 ALA N N 88 128.160 126.122 2.038 1 1 1119 . 9 1 1 A 89 89 LYS H H 89 9.270 8.061 1.209 1 1 1120 . 9 1 1 A 89 89 LYS HA H 89 3.990 3.980 0.010 1 1 1129 . 9 1 1 A 89 89 LYS C C 89 179.070 178.414 0.656 1 1 1130 . 9 1 1 A 89 89 LYS CA C 89 58.648 59.722 -1.074 1 1 1131 . 9 1 1 A 89 89 LYS CB C 89 31.962 32.175 -0.213 1 1 1135 . 9 1 1 A 89 89 LYS N N 89 115.610 118.726 -3.116 1 1 1136 . 9 1 1 A 90 90 VAL H H 90 6.846 7.578 -0.732 1 1 1137 . 9 1 1 A 90 90 VAL HA H 90 3.230 3.896 -0.666 1 1 1145 . 9 1 1 A 90 90 VAL C C 90 177.100 177.921 -0.821 1 1 1146 . 9 1 1 A 90 90 VAL CA C 90 65.870 65.050 0.820 1 1 1147 . 9 1 1 A 90 90 VAL CB C 90 30.880 31.754 -0.874 1 1 1150 . 9 1 1 A 90 90 VAL N N 90 117.560 116.673 0.887 1 1 1151 . 9 1 1 A 91 91 LYS H H 91 7.850 8.110 -0.260 1 1 1152 . 9 1 1 A 91 91 LYS HA H 91 3.430 3.903 -0.473 1 1 1161 . 9 1 1 A 91 91 LYS C C 91 178.420 178.864 -0.444 1 1 1162 . 9 1 1 A 91 91 LYS CA C 91 61.028 59.703 1.325 1 1 1163 . 9 1 1 A 91 91 LYS CB C 91 32.387 32.338 0.049 1 1 1167 . 9 1 1 A 91 91 LYS N N 91 118.750 121.843 -3.093 1 1 1168 . 9 1 1 A 92 92 GLU H H 92 7.282 8.331 -1.049 1 1 1169 . 9 1 1 A 92 92 GLU HA H 92 3.990 4.265 -0.275 1 1 1174 . 9 1 1 A 92 92 GLU C C 92 179.380 178.329 1.051 1 1 1175 . 9 1 1 A 92 92 GLU CA C 92 59.030 58.098 0.932 1 1 1176 . 9 1 1 A 92 92 GLU CB C 92 29.841 29.073 0.768 1 1 1178 . 9 1 1 A 92 92 GLU N N 92 115.375 119.154 -3.779 1 1 1179 . 9 1 1 A 93 93 LYS H H 93 7.343 7.991 -0.648 1 1 1180 . 9 1 1 A 93 93 LYS HA H 93 3.800 4.091 -0.291 1 1 1189 . 9 1 1 A 93 93 LYS C C 93 178.310 176.426 1.884 1 1 1190 . 9 1 1 A 93 93 LYS CA C 93 56.970 58.446 -1.476 1 1 1191 . 9 1 1 A 93 93 LYS CB C 93 30.740 33.368 -2.628 1 1 1195 . 9 1 1 A 93 93 LYS N N 93 118.370 120.575 -2.205 1 1 1196 . 9 1 1 A 94 94 LEU H H 94 8.000 7.682 0.318 1 1 1197 . 9 1 1 A 94 94 LEU HA H 94 4.360 4.600 -0.240 1 1 1207 . 9 1 1 A 94 94 LEU C C 94 177.350 176.445 0.905 1 1 1208 . 9 1 1 A 94 94 LEU CA C 94 54.765 53.314 1.451 1 1 1209 . 9 1 1 A 94 94 LEU CB C 94 42.796 43.330 -0.534 1 1 1213 . 9 1 1 A 94 94 LEU N N 94 115.600 120.075 -4.475 1 1 1214 . 9 1 1 A 95 95 GLY H H 95 7.601 8.695 -1.094 1 1 1215 . 9 1 1 A 95 95 GLY HA2 H 95 3.830 3.946 -0.116 1 1 1216 . 9 1 1 A 95 95 GLY HA3 H 95 3.950 3.947 0.003 1 1 1217 . 9 1 1 A 95 95 GLY C C 95 174.790 174.718 0.072 1 1 1218 . 9 1 1 A 95 95 GLY CA C 95 46.550 46.573 -0.023 1 1 1219 . 9 1 1 A 95 95 GLY N N 95 108.540 114.105 -5.565 1 1 1220 . 9 1 1 A 96 96 VAL H H 96 7.957 7.883 0.074 1 1 1221 . 9 1 1 A 96 96 VAL HA H 96 3.940 4.116 -0.176 1 1 1229 . 9 1 1 A 96 96 VAL C C 96 175.540 175.514 0.026 1 1 1230 . 9 1 1 A 96 96 VAL CA C 96 62.314 61.748 0.566 1 1 1231 . 9 1 1 A 96 96 VAL CB C 96 32.155 31.440 0.715 1 1 1234 . 9 1 1 A 96 96 VAL N N 96 119.490 118.490 1.000 1 1 1235 . 9 1 1 A 97 97 LYS H H 97 8.293 8.501 -0.208 1 1 1236 . 9 1 1 A 97 97 LYS HA H 97 4.210 4.653 -0.443 1 1 1245 . 9 1 1 A 97 97 LYS C C 97 176.290 175.157 1.133 1 1 1246 . 9 1 1 A 97 97 LYS CA C 97 56.174 55.564 0.610 1 1 1247 . 9 1 1 A 97 97 LYS CB C 97 33.200 32.426 0.774 1 1 1251 . 9 1 1 A 97 97 LYS N N 97 126.120 125.139 0.981 1 1 1252 . 9 1 1 A 98 98 LEU H H 98 8.315 8.622 -0.307 1 1 1253 . 9 1 1 A 98 98 LEU HA H 98 4.240 4.747 -0.507 1 1 1263 . 9 1 1 A 98 98 LEU C C 98 176.930 176.133 0.797 1 1 1264 . 9 1 1 A 98 98 LEU CA C 98 54.800 54.030 0.770 1 1 1265 . 9 1 1 A 98 98 LEU CB C 98 42.217 43.417 -1.200 1 1 1269 . 9 1 1 A 98 98 LEU N N 98 124.170 126.499 -2.329 1 1 1270 . 9 1 1 A 99 99 GLU H H 99 8.375 8.829 -0.454 1 1 1271 . 9 1 1 A 99 99 GLU HA H 99 4.175 4.211 -0.036 1 1 1276 . 9 1 1 A 99 99 GLU C C 99 176.035 176.296 -0.261 1 1 1277 . 9 1 1 A 99 99 GLU CA C 99 56.352 58.279 -1.927 1 1 1278 . 9 1 1 A 99 99 GLU CB C 99 30.460 31.010 -0.550 1 1 1280 . 9 1 1 A 99 99 GLU N N 99 122.010 125.060 -3.050 1 1 1281 . 9 1 1 A 100 100 HIS H H 100 8.350 7.690 0.660 1 1 1282 . 9 1 1 A 100 100 HIS HA H 100 4.565 4.897 -0.332 1 1 1285 . 9 1 1 A 100 100 HIS C C 100 173.880 174.804 -0.924 1 1 1286 . 9 1 1 A 100 100 HIS CA C 100 56.050 54.711 1.339 1 1 1287 . 9 1 1 A 100 100 HIS CB C 100 30.144 33.534 -3.390 1 1 1288 . 9 1 1 A 100 100 HIS N N 100 120.245 115.065 5.180 1 1 1289 . 9 1 1 A 101 101 HIS H H 101 8.134 8.881 -0.747 1 1 1290 . 9 1 1 A 101 101 HIS HA H 101 4.410 4.539 -0.129 1 1 1293 . 9 1 1 A 101 101 HIS CA C 101 57.290 58.035 -0.745 1 1 1294 . 9 1 1 A 101 101 HIS CB C 101 31.450 30.314 1.136 1 1 1 . 10 1 1 A 2 2 ASP HA H 2 4.670 4.910 -0.240 1 1 4 . 10 1 1 A 2 2 ASP C C 2 176.480 175.772 0.708 1 1 5 . 10 1 1 A 2 2 ASP CA C 2 53.400 53.269 0.131 1 1 6 . 10 1 1 A 2 2 ASP CB C 2 41.170 43.050 -1.880 1 1 7 . 10 1 1 A 3 3 LEU H H 3 8.650 8.372 0.278 1 1 8 . 10 1 1 A 3 3 LEU HA H 3 4.116 4.750 -0.634 1 1 18 . 10 1 1 A 3 3 LEU C C 3 177.880 177.512 0.368 1 1 19 . 10 1 1 A 3 3 LEU CA C 3 56.390 54.179 2.211 1 1 20 . 10 1 1 A 3 3 LEU CB C 3 41.660 42.056 -0.396 1 1 24 . 10 1 1 A 3 3 LEU N N 3 125.300 118.367 6.933 1 1 25 . 10 1 1 A 4 4 ASN H H 4 8.370 7.870 0.500 1 1 26 . 10 1 1 A 4 4 ASN HA H 4 4.490 4.763 -0.273 1 1 31 . 10 1 1 A 4 4 ASN C C 4 175.050 177.117 -2.067 1 1 32 . 10 1 1 A 4 4 ASN CA C 4 54.320 55.061 -0.741 1 1 33 . 10 1 1 A 4 4 ASN CB C 4 38.240 38.426 -0.186 1 1 34 . 10 1 1 A 4 4 ASN N N 4 116.550 117.896 -1.346 1 1 36 . 10 1 1 A 5 5 ARG H H 5 7.645 7.754 -0.109 1 1 37 . 10 1 1 A 5 5 ARG HA H 5 3.920 4.607 -0.687 1 1 45 . 10 1 1 A 5 5 ARG C C 5 176.030 175.559 0.471 1 1 46 . 10 1 1 A 5 5 ARG CA C 5 56.180 55.239 0.941 1 1 47 . 10 1 1 A 5 5 ARG CB C 5 31.570 30.637 0.933 1 1 50 . 10 1 1 A 5 5 ARG N N 5 118.590 116.196 2.394 1 1 52 . 10 1 1 A 6 6 MET H H 6 7.809 7.549 0.260 1 1 53 . 10 1 1 A 6 6 MET HA H 6 4.355 4.380 -0.025 1 1 58 . 10 1 1 A 6 6 MET C C 6 176.940 176.208 0.732 1 1 59 . 10 1 1 A 6 6 MET CA C 6 56.290 55.967 0.323 1 1 60 . 10 1 1 A 6 6 MET CB C 6 33.020 33.327 -0.307 1 1 62 . 10 1 1 A 6 6 MET N N 6 120.180 119.044 1.136 1 1 63 . 10 1 1 A 7 7 GLY H H 7 8.906 8.330 0.576 1 1 64 . 10 1 1 A 7 7 GLY HA2 H 7 3.870 4.053 -0.183 1 1 65 . 10 1 1 A 7 7 GLY HA3 H 7 3.950 4.053 -0.103 1 1 66 . 10 1 1 A 7 7 GLY C C 7 174.280 174.059 0.221 1 1 67 . 10 1 1 A 7 7 GLY CA C 7 46.110 45.159 0.951 1 1 68 . 10 1 1 A 7 7 GLY N N 7 112.660 108.007 4.653 1 1 69 . 10 1 1 A 8 8 LYS H H 8 7.819 8.022 -0.203 1 1 70 . 10 1 1 A 8 8 LYS HA H 8 4.550 3.689 0.861 1 1 79 . 10 1 1 A 8 8 LYS C C 8 176.060 175.126 0.934 1 1 80 . 10 1 1 A 8 8 LYS CA C 8 54.444 56.951 -2.507 1 1 81 . 10 1 1 A 8 8 LYS CB C 8 33.760 30.998 2.762 1 1 85 . 10 1 1 A 8 8 LYS N N 8 119.130 113.638 5.492 1 1 86 . 10 1 1 A 9 9 ASP H H 9 8.790 7.918 0.872 1 1 87 . 10 1 1 A 9 9 ASP HA H 9 4.730 4.542 0.188 1 1 90 . 10 1 1 A 9 9 ASP C C 9 174.530 175.023 -0.493 1 1 91 . 10 1 1 A 9 9 ASP CA C 9 54.560 53.773 0.787 1 1 92 . 10 1 1 A 9 9 ASP CB C 9 42.530 39.803 2.727 1 1 93 . 10 1 1 A 9 9 ASP N N 9 121.550 119.713 1.837 1 1 94 . 10 1 1 A 10 10 GLU H H 10 7.950 7.939 0.011 1 1 95 . 10 1 1 A 10 10 GLU HA H 10 4.570 5.070 -0.500 1 1 100 . 10 1 1 A 10 10 GLU C C 10 174.080 174.535 -0.455 1 1 101 . 10 1 1 A 10 10 GLU CA C 10 54.640 54.948 -0.308 1 1 102 . 10 1 1 A 10 10 GLU CB C 10 31.380 30.768 0.612 1 1 104 . 10 1 1 A 10 10 GLU N N 10 119.640 124.032 -4.392 1 1 105 . 10 1 1 A 11 11 TYR H H 11 8.767 8.723 0.044 1 1 106 . 10 1 1 A 11 11 TYR HA H 11 4.555 4.893 -0.338 1 1 113 . 10 1 1 A 11 11 TYR C C 11 173.480 174.806 -1.326 1 1 114 . 10 1 1 A 11 11 TYR CA C 11 56.360 56.612 -0.252 1 1 115 . 10 1 1 A 11 11 TYR CB C 11 43.860 39.819 4.041 1 1 120 . 10 1 1 A 11 11 TYR N N 11 120.960 124.963 -4.003 1 1 121 . 10 1 1 A 12 12 TYR H H 12 9.290 9.018 0.272 1 1 122 . 10 1 1 A 12 12 TYR HA H 12 5.730 5.127 0.603 1 1 129 . 10 1 1 A 12 12 TYR C C 12 175.700 175.754 -0.054 1 1 130 . 10 1 1 A 12 12 TYR CA C 12 56.680 57.893 -1.213 1 1 131 . 10 1 1 A 12 12 TYR CB C 12 42.180 37.822 4.358 1 1 136 . 10 1 1 A 12 12 TYR N N 12 118.880 124.554 -5.674 1 1 137 . 10 1 1 A 13 13 VAL H H 13 8.670 8.998 -0.328 1 1 138 . 10 1 1 A 13 13 VAL HA H 13 5.050 5.242 -0.192 1 1 146 . 10 1 1 A 13 13 VAL C C 13 174.820 174.564 0.256 1 1 147 . 10 1 1 A 13 13 VAL CA C 13 58.130 59.641 -1.511 1 1 148 . 10 1 1 A 13 13 VAL CB C 13 35.890 35.010 0.880 1 1 151 . 10 1 1 A 13 13 VAL N N 13 112.280 119.276 -6.996 1 1 152 . 10 1 1 A 14 14 GLN H H 14 8.760 8.838 -0.078 1 1 153 . 10 1 1 A 14 14 GLN HA H 14 5.090 4.977 0.113 1 1 160 . 10 1 1 A 14 14 GLN C C 14 175.000 174.185 0.815 1 1 161 . 10 1 1 A 14 14 GLN CA C 14 53.520 53.624 -0.104 1 1 162 . 10 1 1 A 14 14 GLN CB C 14 31.250 31.949 -0.699 1 1 164 . 10 1 1 A 14 14 GLN N N 14 120.910 118.197 2.713 1 1 166 . 10 1 1 A 15 15 ILE H H 15 8.843 8.911 -0.068 1 1 167 . 10 1 1 A 15 15 ILE HA H 15 3.900 4.127 -0.227 1 1 177 . 10 1 1 A 15 15 ILE C C 15 177.090 177.069 0.021 1 1 178 . 10 1 1 A 15 15 ILE CA C 15 59.269 61.416 -2.147 1 1 179 . 10 1 1 A 15 15 ILE CB C 15 34.050 36.923 -2.873 1 1 183 . 10 1 1 A 15 15 ILE N N 15 125.520 124.034 1.486 1 1 184 . 10 1 1 A 16 16 THR H H 16 7.996 8.146 -0.150 1 1 185 . 10 1 1 A 16 16 THR HA H 16 4.540 4.325 0.215 1 1 190 . 10 1 1 A 16 16 THR C C 16 173.650 174.896 -1.246 1 1 191 . 10 1 1 A 16 16 THR CA C 16 61.180 63.600 -2.420 1 1 192 . 10 1 1 A 16 16 THR CB C 16 69.300 68.774 0.526 1 1 194 . 10 1 1 A 16 16 THR N N 16 118.080 119.366 -1.286 1 1 195 . 10 1 1 A 17 17 VAL H H 17 7.240 7.591 -0.351 1 1 196 . 10 1 1 A 17 17 VAL HA H 17 4.659 4.440 0.219 1 1 204 . 10 1 1 A 17 17 VAL C C 17 175.135 174.948 0.187 1 1 205 . 10 1 1 A 17 17 VAL CA C 17 58.870 60.596 -1.726 1 1 206 . 10 1 1 A 17 17 VAL CB C 17 36.070 33.518 2.552 1 1 209 . 10 1 1 A 17 17 VAL N N 17 113.230 119.297 -6.067 1 1 210 . 10 1 1 A 18 18 ASP H H 18 8.280 8.579 -0.299 1 1 211 . 10 1 1 A 18 18 ASP HA H 18 5.010 4.931 0.079 1 1 214 . 10 1 1 A 18 18 ASP C C 18 177.350 175.443 1.907 1 1 215 . 10 1 1 A 18 18 ASP CA C 18 54.765 52.014 2.751 1 1 216 . 10 1 1 A 18 18 ASP CB C 18 42.120 44.406 -2.286 1 1 217 . 10 1 1 A 18 18 ASP N N 18 120.730 124.364 -3.634 1 1 218 . 10 1 1 A 19 19 GLY H H 19 8.951 8.325 0.626 1 1 219 . 10 1 1 A 19 19 GLY HA2 H 19 2.920 3.884 -0.964 1 1 220 . 10 1 1 A 19 19 GLY HA3 H 19 2.978 4.014 -1.036 1 1 221 . 10 1 1 A 19 19 GLY C C 19 172.450 174.640 -2.190 1 1 222 . 10 1 1 A 19 19 GLY CA C 19 45.370 45.656 -0.286 1 1 223 . 10 1 1 A 19 19 GLY N N 19 110.580 110.174 0.406 1 1 224 . 10 1 1 A 20 20 LYS H H 20 8.110 7.724 0.386 1 1 225 . 10 1 1 A 20 20 LYS HA H 20 4.374 4.199 0.175 1 1 234 . 10 1 1 A 20 20 LYS C C 20 175.710 175.358 0.352 1 1 235 . 10 1 1 A 20 20 LYS CA C 20 54.800 54.914 -0.114 1 1 236 . 10 1 1 A 20 20 LYS CB C 20 33.240 31.034 2.206 1 1 240 . 10 1 1 A 20 20 LYS N N 20 124.290 120.913 3.377 1 1 241 . 10 1 1 A 21 21 GLU H H 21 8.710 8.197 0.513 1 1 242 . 10 1 1 A 21 21 GLU HA H 21 3.930 4.613 -0.683 1 1 247 . 10 1 1 A 21 21 GLU C C 21 175.960 176.429 -0.469 1 1 248 . 10 1 1 A 21 21 GLU CA C 21 56.940 56.294 0.646 1 1 249 . 10 1 1 A 21 21 GLU CB C 21 30.439 30.028 0.411 1 1 251 . 10 1 1 A 21 21 GLU N N 21 128.720 124.338 4.382 1 1 252 . 10 1 1 A 22 22 VAL H H 22 8.621 8.668 -0.047 1 1 253 . 10 1 1 A 22 22 VAL HA H 22 4.160 4.587 -0.427 1 1 261 . 10 1 1 A 22 22 VAL C C 22 175.210 174.106 1.104 1 1 262 . 10 1 1 A 22 22 VAL CA C 22 61.027 61.348 -0.321 1 1 263 . 10 1 1 A 22 22 VAL CB C 22 34.501 31.402 3.099 1 1 266 . 10 1 1 A 22 22 VAL N N 22 125.340 121.073 4.267 1 1 267 . 10 1 1 A 23 23 HIS H H 23 8.607 8.902 -0.295 1 1 268 . 10 1 1 A 23 23 HIS HA H 23 4.820 4.646 0.174 1 1 273 . 10 1 1 A 23 23 HIS C C 23 175.040 174.243 0.797 1 1 274 . 10 1 1 A 23 23 HIS CA C 23 55.498 54.310 1.188 1 1 275 . 10 1 1 A 23 23 HIS CB C 23 30.660 28.825 1.835 1 1 278 . 10 1 1 A 23 23 HIS N N 23 124.000 127.818 -3.818 1 1 279 . 10 1 1 A 24 24 SER H H 24 8.480 8.445 0.035 1 1 280 . 10 1 1 A 24 24 SER HA H 24 4.480 4.484 -0.004 1 1 283 . 10 1 1 A 24 24 SER C C 24 173.860 175.806 -1.946 1 1 284 . 10 1 1 A 24 24 SER CA C 24 57.690 58.858 -1.168 1 1 285 . 10 1 1 A 24 24 SER CB C 24 64.580 65.924 -1.344 1 1 286 . 10 1 1 A 24 24 SER N N 24 118.250 123.354 -5.104 1 1 287 . 10 1 1 A 25 25 LYS H H 25 8.517 7.733 0.784 1 1 288 . 10 1 1 A 25 25 LYS HA H 25 4.561 4.065 0.496 1 1 297 . 10 1 1 A 25 25 LYS C C 25 176.160 177.217 -1.057 1 1 298 . 10 1 1 A 25 25 LYS CA C 25 56.255 56.833 -0.578 1 1 299 . 10 1 1 A 25 25 LYS CB C 25 33.714 32.114 1.600 1 1 303 . 10 1 1 A 25 25 LYS N N 25 122.750 122.097 0.653 1 1 304 . 10 1 1 A 26 26 ALA H H 26 8.468 7.525 0.943 1 1 305 . 10 1 1 A 26 26 ALA HA H 26 4.470 4.612 -0.142 1 1 309 . 10 1 1 A 26 26 ALA C C 26 177.950 177.466 0.484 1 1 310 . 10 1 1 A 26 26 ALA CA C 26 51.912 51.316 0.596 1 1 311 . 10 1 1 A 26 26 ALA CB C 26 20.050 19.144 0.906 1 1 312 . 10 1 1 A 26 26 ALA N N 26 125.370 122.587 2.783 1 1 313 . 10 1 1 A 27 27 ASP H H 27 8.509 8.207 0.302 1 1 314 . 10 1 1 A 27 27 ASP HA H 27 4.460 4.250 0.210 1 1 317 . 10 1 1 A 27 27 ASP C C 27 176.480 177.829 -1.349 1 1 318 . 10 1 1 A 27 27 ASP CA C 27 55.490 57.195 -1.705 1 1 319 . 10 1 1 A 27 27 ASP CB C 27 40.771 40.653 0.118 1 1 320 . 10 1 1 A 27 27 ASP N N 27 120.380 119.307 1.073 1 1 321 . 10 1 1 A 28 28 ASN H H 28 8.193 8.071 0.122 1 1 322 . 10 1 1 A 28 28 ASN HA H 28 4.620 4.746 -0.126 1 1 327 . 10 1 1 A 28 28 ASN C C 28 176.310 175.595 0.715 1 1 328 . 10 1 1 A 28 28 ASN CA C 28 53.050 53.185 -0.135 1 1 329 . 10 1 1 A 28 28 ASN CB C 28 38.080 39.037 -0.957 1 1 330 . 10 1 1 A 28 28 ASN N N 28 117.470 115.516 1.954 1 1 332 . 10 1 1 A 29 29 GLY H H 29 8.359 8.015 0.344 1 1 333 . 10 1 1 A 29 29 GLY HA2 H 29 4.110 4.047 0.063 1 1 334 . 10 1 1 A 29 29 GLY HA3 H 29 3.720 4.057 -0.337 1 1 335 . 10 1 1 A 29 29 GLY C C 29 174.365 174.693 -0.328 1 1 336 . 10 1 1 A 29 29 GLY CA C 29 45.688 45.169 0.519 1 1 337 . 10 1 1 A 29 29 GLY N N 29 108.230 105.554 2.676 1 1 338 . 10 1 1 A 30 30 GLN H H 30 7.920 7.931 -0.011 1 1 339 . 10 1 1 A 30 30 GLN HA H 30 4.200 4.394 -0.194 1 1 346 . 10 1 1 A 30 30 GLN C C 30 174.330 175.457 -1.127 1 1 347 . 10 1 1 A 30 30 GLN CA C 30 56.210 55.546 0.664 1 1 348 . 10 1 1 A 30 30 GLN CB C 30 29.320 28.504 0.816 1 1 350 . 10 1 1 A 30 30 GLN N N 30 119.670 120.928 -1.258 1 1 352 . 10 1 1 A 31 31 LYS H H 31 8.390 8.831 -0.441 1 1 353 . 10 1 1 A 31 31 LYS HA H 31 4.490 4.544 -0.054 1 1 362 . 10 1 1 A 31 31 LYS C C 31 176.052 174.882 1.170 1 1 363 . 10 1 1 A 31 31 LYS CA C 31 56.417 55.471 0.946 1 1 364 . 10 1 1 A 31 31 LYS CB C 31 33.414 31.017 2.397 1 1 368 . 10 1 1 A 31 31 LYS N N 31 121.950 126.700 -4.750 1 1 369 . 10 1 1 A 32 32 TYR H H 32 8.160 8.573 -0.413 1 1 370 . 10 1 1 A 32 32 TYR HA H 32 4.770 5.438 -0.668 1 1 377 . 10 1 1 A 32 32 TYR C C 32 175.560 173.406 2.154 1 1 378 . 10 1 1 A 32 32 TYR CA C 32 56.300 55.466 0.834 1 1 379 . 10 1 1 A 32 32 TYR CB C 32 40.074 41.261 -1.187 1 1 384 . 10 1 1 A 32 32 TYR N N 32 119.960 122.078 -2.118 1 1 385 . 10 1 1 A 33 33 LYS H H 33 8.397 8.848 -0.451 1 1 386 . 10 1 1 A 33 33 LYS HA H 33 4.610 5.160 -0.550 1 1 395 . 10 1 1 A 33 33 LYS C C 33 174.080 174.736 -0.656 1 1 396 . 10 1 1 A 33 33 LYS CA C 33 55.512 54.243 1.269 1 1 397 . 10 1 1 A 33 33 LYS CB C 33 34.570 36.360 -1.790 1 1 401 . 10 1 1 A 33 33 LYS N N 33 122.080 119.057 3.023 1 1 402 . 10 1 1 A 34 34 ASP H H 34 8.140 8.707 -0.567 1 1 403 . 10 1 1 A 34 34 ASP HA H 34 5.040 5.373 -0.333 1 1 406 . 10 1 1 A 34 34 ASP C C 34 173.740 174.258 -0.518 1 1 407 . 10 1 1 A 34 34 ASP CA C 34 53.104 52.688 0.416 1 1 408 . 10 1 1 A 34 34 ASP CB C 34 44.290 44.124 0.166 1 1 409 . 10 1 1 A 34 34 ASP N N 34 121.430 120.944 0.486 1 1 410 . 10 1 1 A 35 35 TYR H H 35 8.849 9.094 -0.245 1 1 411 . 10 1 1 A 35 35 TYR HA H 35 4.660 5.114 -0.454 1 1 418 . 10 1 1 A 35 35 TYR C C 35 174.450 174.902 -0.452 1 1 419 . 10 1 1 A 35 35 TYR CA C 35 57.177 56.733 0.444 1 1 420 . 10 1 1 A 35 35 TYR CB C 35 40.955 39.509 1.446 1 1 425 . 10 1 1 A 35 35 TYR N N 35 116.670 119.734 -3.064 1 1 426 . 10 1 1 A 36 36 GLU H H 36 9.144 9.153 -0.009 1 1 427 . 10 1 1 A 36 36 GLU HA H 36 4.615 4.596 0.019 1 1 432 . 10 1 1 A 36 36 GLU C C 36 175.850 174.557 1.293 1 1 433 . 10 1 1 A 36 36 GLU CA C 36 55.700 56.012 -0.312 1 1 434 . 10 1 1 A 36 36 GLU CB C 36 32.541 30.741 1.800 1 1 436 . 10 1 1 A 36 36 GLU N N 36 122.490 125.238 -2.748 1 1 437 . 10 1 1 A 37 37 TYR H H 37 8.598 8.994 -0.396 1 1 438 . 10 1 1 A 37 37 TYR HA H 37 4.090 4.865 -0.775 1 1 445 . 10 1 1 A 37 37 TYR C C 37 174.140 173.934 0.206 1 1 446 . 10 1 1 A 37 37 TYR CA C 37 58.399 56.103 2.296 1 1 447 . 10 1 1 A 37 37 TYR CB C 37 41.690 39.494 2.196 1 1 452 . 10 1 1 A 37 37 TYR N N 37 122.480 125.915 -3.435 1 1 453 . 10 1 1 A 38 38 LYS H H 38 8.410 9.021 -0.611 1 1 454 . 10 1 1 A 38 38 LYS HA H 38 5.080 4.899 0.181 1 1 463 . 10 1 1 A 38 38 LYS C C 38 174.980 175.752 -0.772 1 1 464 . 10 1 1 A 38 38 LYS CA C 38 56.133 55.111 1.022 1 1 465 . 10 1 1 A 38 38 LYS CB C 38 33.525 33.822 -0.297 1 1 469 . 10 1 1 A 38 38 LYS N N 38 124.250 126.297 -2.047 1 1 470 . 10 1 1 A 39 39 LEU H H 39 8.555 8.781 -0.226 1 1 471 . 10 1 1 A 39 39 LEU HA H 39 4.865 4.928 -0.063 1 1 480 . 10 1 1 A 39 39 LEU C C 39 175.120 174.915 0.205 1 1 481 . 10 1 1 A 39 39 LEU CA C 39 53.316 53.626 -0.310 1 1 482 . 10 1 1 A 39 39 LEU CB C 39 47.338 45.648 1.690 1 1 485 . 10 1 1 A 39 39 LEU N N 39 124.840 121.991 2.849 1 1 486 . 10 1 1 A 40 40 THR H H 40 8.615 8.578 0.037 1 1 487 . 10 1 1 A 40 40 THR HA H 40 4.410 5.243 -0.833 1 1 492 . 10 1 1 A 40 40 THR C C 40 173.360 173.982 -0.622 1 1 493 . 10 1 1 A 40 40 THR CA C 40 63.200 59.865 3.335 1 1 494 . 10 1 1 A 40 40 THR CB C 40 69.100 70.904 -1.804 1 1 496 . 10 1 1 A 40 40 THR N N 40 118.390 116.244 2.146 1 1 497 . 10 1 1 A 41 41 GLY H H 41 8.545 8.769 -0.224 1 1 498 . 10 1 1 A 41 41 GLY HA2 H 41 3.030 4.273 -1.243 1 1 499 . 10 1 1 A 41 41 GLY HA3 H 41 4.910 4.342 0.568 1 1 500 . 10 1 1 A 41 41 GLY C C 41 171.375 171.421 -0.046 1 1 501 . 10 1 1 A 41 41 GLY CA C 41 43.963 43.977 -0.014 1 1 502 . 10 1 1 A 41 41 GLY N N 41 113.500 113.434 0.066 1 1 503 . 10 1 1 A 42 42 PHE H H 42 8.650 9.017 -0.367 1 1 504 . 10 1 1 A 42 42 PHE HA H 42 5.910 5.430 0.480 1 1 512 . 10 1 1 A 42 42 PHE C C 42 176.670 174.291 2.379 1 1 513 . 10 1 1 A 42 42 PHE CA C 42 56.260 56.296 -0.036 1 1 514 . 10 1 1 A 42 42 PHE CB C 42 44.750 42.926 1.824 1 1 520 . 10 1 1 A 42 42 PHE N N 42 113.300 122.021 -8.721 1 1 521 . 10 1 1 A 43 43 ASP H H 43 9.040 8.312 0.728 1 1 522 . 10 1 1 A 43 43 ASP HA H 43 5.100 4.897 0.203 1 1 525 . 10 1 1 A 43 43 ASP C C 43 177.790 175.286 2.504 1 1 526 . 10 1 1 A 43 43 ASP CA C 43 51.990 53.708 -1.718 1 1 527 . 10 1 1 A 43 43 ASP CB C 43 41.660 43.940 -2.280 1 1 528 . 10 1 1 A 43 43 ASP N N 43 123.450 121.010 2.440 1 1 529 . 10 1 1 A 44 44 LYS H H 44 8.689 8.934 -0.245 1 1 530 . 10 1 1 A 44 44 LYS HA H 44 3.920 3.987 -0.067 1 1 539 . 10 1 1 A 44 44 LYS C C 44 175.450 175.957 -0.507 1 1 540 . 10 1 1 A 44 44 LYS CA C 44 58.730 58.818 -0.088 1 1 541 . 10 1 1 A 44 44 LYS CB C 44 31.707 31.114 0.593 1 1 545 . 10 1 1 A 44 44 LYS N N 44 113.360 122.324 -8.964 1 1 546 . 10 1 1 A 45 45 ASP H H 45 8.178 8.529 -0.351 1 1 547 . 10 1 1 A 45 45 ASP HA H 45 4.930 4.949 -0.019 1 1 550 . 10 1 1 A 45 45 ASP C C 45 176.710 176.606 0.104 1 1 551 . 10 1 1 A 45 45 ASP CA C 45 54.501 54.664 -0.163 1 1 552 . 10 1 1 A 45 45 ASP CB C 45 42.260 43.395 -1.135 1 1 553 . 10 1 1 A 45 45 ASP N N 45 119.050 119.634 -0.584 1 1 554 . 10 1 1 A 46 46 GLY H H 46 8.853 7.345 1.508 1 1 555 . 10 1 1 A 46 46 GLY HA2 H 46 4.120 4.080 0.040 1 1 556 . 10 1 1 A 46 46 GLY HA3 H 46 3.350 4.123 -0.773 1 1 557 . 10 1 1 A 46 46 GLY C C 46 173.020 174.632 -1.612 1 1 558 . 10 1 1 A 46 46 GLY CA C 46 45.510 45.474 0.036 1 1 559 . 10 1 1 A 46 46 GLY N N 46 110.250 107.130 3.120 1 1 560 . 10 1 1 A 47 47 LYS H H 47 8.640 7.871 0.769 1 1 561 . 10 1 1 A 47 47 LYS HA H 47 4.320 4.315 0.005 1 1 570 . 10 1 1 A 47 47 LYS C C 47 176.180 175.858 0.322 1 1 571 . 10 1 1 A 47 47 LYS CA C 47 57.200 56.327 0.873 1 1 572 . 10 1 1 A 47 47 LYS CB C 47 32.300 33.081 -0.781 1 1 576 . 10 1 1 A 47 47 LYS N N 47 123.450 120.141 3.309 1 1 577 . 10 1 1 A 48 48 GLU H H 48 8.510 8.671 -0.161 1 1 578 . 10 1 1 A 48 48 GLU HA H 48 4.914 4.934 -0.020 1 1 583 . 10 1 1 A 48 48 GLU C C 48 176.545 174.585 1.960 1 1 584 . 10 1 1 A 48 48 GLU CA C 48 55.540 54.143 1.397 1 1 585 . 10 1 1 A 48 48 GLU CB C 48 32.850 32.399 0.451 1 1 587 . 10 1 1 A 48 48 GLU N N 48 123.300 118.598 4.702 1 1 588 . 10 1 1 A 49 49 LYS H H 49 8.304 8.206 0.098 1 1 589 . 10 1 1 A 49 49 LYS HA H 49 4.080 4.755 -0.675 1 1 598 . 10 1 1 A 49 49 LYS C C 49 173.870 175.843 -1.973 1 1 599 . 10 1 1 A 49 49 LYS CA C 49 54.797 54.709 0.088 1 1 600 . 10 1 1 A 49 49 LYS CB C 49 36.248 36.187 0.061 1 1 604 . 10 1 1 A 49 49 LYS N N 49 123.450 122.789 0.661 1 1 605 . 10 1 1 A 50 50 GLU H H 50 8.377 8.506 -0.129 1 1 606 . 10 1 1 A 50 50 GLU HA H 50 4.298 4.771 -0.473 1 1 611 . 10 1 1 A 50 50 GLU C C 50 175.090 175.405 -0.315 1 1 612 . 10 1 1 A 50 50 GLU CA C 50 56.950 56.225 0.725 1 1 613 . 10 1 1 A 50 50 GLU CB C 50 29.872 30.127 -0.255 1 1 615 . 10 1 1 A 50 50 GLU N N 50 127.100 122.507 4.593 1 1 616 . 10 1 1 A 51 51 LEU H H 51 8.934 9.206 -0.272 1 1 617 . 10 1 1 A 51 51 LEU HA H 51 4.517 4.858 -0.341 1 1 627 . 10 1 1 A 51 51 LEU C C 51 174.890 175.595 -0.705 1 1 628 . 10 1 1 A 51 51 LEU CA C 51 53.817 54.443 -0.626 1 1 629 . 10 1 1 A 51 51 LEU CB C 51 45.254 40.669 4.585 1 1 633 . 10 1 1 A 51 51 LEU N N 51 127.790 127.677 0.113 1 1 634 . 10 1 1 A 52 52 GLU H H 52 8.360 8.128 0.232 1 1 635 . 10 1 1 A 52 52 GLU HA H 52 5.417 5.435 -0.018 1 1 640 . 10 1 1 A 52 52 GLU C C 52 174.890 175.909 -1.019 1 1 641 . 10 1 1 A 52 52 GLU CA C 52 54.519 55.451 -0.932 1 1 642 . 10 1 1 A 52 52 GLU CB C 52 32.500 30.864 1.636 1 1 644 . 10 1 1 A 52 52 GLU N N 52 121.180 123.999 -2.819 1 1 645 . 10 1 1 A 53 53 PHE H H 53 8.465 8.567 -0.102 1 1 646 . 10 1 1 A 53 53 PHE HA H 53 5.130 5.612 -0.482 1 1 654 . 10 1 1 A 53 53 PHE C C 53 172.660 173.080 -0.420 1 1 655 . 10 1 1 A 53 53 PHE CA C 53 56.508 55.159 1.349 1 1 656 . 10 1 1 A 53 53 PHE CB C 53 40.095 42.013 -1.918 1 1 662 . 10 1 1 A 53 53 PHE N N 53 118.940 120.091 -1.151 1 1 663 . 10 1 1 A 54 54 THR H H 54 8.622 9.262 -0.640 1 1 664 . 10 1 1 A 54 54 THR HA H 54 5.530 5.687 -0.157 1 1 669 . 10 1 1 A 54 54 THR C C 54 173.470 173.903 -0.433 1 1 670 . 10 1 1 A 54 54 THR CA C 54 60.148 60.698 -0.550 1 1 671 . 10 1 1 A 54 54 THR CB C 54 71.820 70.711 1.109 1 1 673 . 10 1 1 A 54 54 THR N N 54 112.280 112.560 -0.280 1 1 674 . 10 1 1 A 55 55 ALA H H 55 9.710 9.339 0.371 1 1 675 . 10 1 1 A 55 55 ALA HA H 55 5.354 5.115 0.239 1 1 679 . 10 1 1 A 55 55 ALA C C 55 176.720 179.260 -2.540 1 1 680 . 10 1 1 A 55 55 ALA CA C 55 50.568 51.134 -0.566 1 1 681 . 10 1 1 A 55 55 ALA CB C 55 24.180 21.230 2.950 1 1 682 . 10 1 1 A 55 55 ALA N N 55 126.340 129.573 -3.233 1 1 683 . 10 1 1 A 56 56 GLN H H 56 9.130 8.942 0.188 1 1 684 . 10 1 1 A 56 56 GLN HA H 56 5.030 4.470 0.560 1 1 691 . 10 1 1 A 56 56 GLN C C 56 174.960 175.635 -0.675 1 1 692 . 10 1 1 A 56 56 GLN CA C 56 56.820 56.796 0.024 1 1 693 . 10 1 1 A 56 56 GLN CB C 56 29.180 28.419 0.761 1 1 695 . 10 1 1 A 56 56 GLN N N 56 118.540 119.079 -0.539 1 1 697 . 10 1 1 A 57 57 LYS H H 57 7.656 7.694 -0.038 1 1 698 . 10 1 1 A 57 57 LYS HA H 57 4.360 4.508 -0.148 1 1 707 . 10 1 1 A 57 57 LYS C C 57 172.490 174.484 -1.994 1 1 708 . 10 1 1 A 57 57 LYS CA C 57 54.351 55.688 -1.337 1 1 709 . 10 1 1 A 57 57 LYS CB C 57 35.360 36.366 -1.006 1 1 713 . 10 1 1 A 57 57 LYS N N 57 116.270 119.914 -3.644 1 1 714 . 10 1 1 A 58 58 ASN H H 58 7.709 8.277 -0.568 1 1 715 . 10 1 1 A 58 58 ASN HA H 58 4.000 5.364 -1.364 1 1 720 . 10 1 1 A 58 58 ASN C C 58 175.490 175.111 0.379 1 1 721 . 10 1 1 A 58 58 ASN CA C 58 53.498 53.797 -0.299 1 1 722 . 10 1 1 A 58 58 ASN CB C 58 38.538 39.054 -0.516 1 1 723 . 10 1 1 A 58 58 ASN N N 58 117.960 121.184 -3.224 1 1 725 . 10 1 1 A 59 59 LEU H H 59 7.940 8.721 -0.781 1 1 726 . 10 1 1 A 59 59 LEU HA H 59 3.950 4.979 -1.029 1 1 736 . 10 1 1 A 59 59 LEU C C 59 176.410 175.654 0.756 1 1 737 . 10 1 1 A 59 59 LEU CA C 59 54.550 52.993 1.557 1 1 738 . 10 1 1 A 59 59 LEU CB C 59 42.370 45.181 -2.811 1 1 742 . 10 1 1 A 59 59 LEU N N 59 128.190 117.671 10.519 1 1 743 . 10 1 1 A 60 60 ARG H H 60 8.355 8.195 0.160 1 1 744 . 10 1 1 A 60 60 ARG HA H 60 3.870 4.441 -0.571 1 1 752 . 10 1 1 A 60 60 ARG C C 60 175.350 176.474 -1.124 1 1 753 . 10 1 1 A 60 60 ARG CA C 60 56.695 55.931 0.764 1 1 754 . 10 1 1 A 60 60 ARG CB C 60 31.290 30.942 0.348 1 1 757 . 10 1 1 A 60 60 ARG N N 60 123.759 119.457 4.302 1 1 759 . 10 1 1 A 61 61 LYS H H 61 8.178 8.612 -0.434 1 1 760 . 10 1 1 A 61 61 LYS HA H 61 3.680 4.225 -0.545 1 1 769 . 10 1 1 A 61 61 LYS C C 61 177.290 176.449 0.841 1 1 770 . 10 1 1 A 61 61 LYS CA C 61 58.733 56.782 1.951 1 1 771 . 10 1 1 A 61 61 LYS CB C 61 31.564 32.975 -1.411 1 1 775 . 10 1 1 A 61 61 LYS N N 61 125.600 125.214 0.386 1 1 776 . 10 1 1 A 62 62 GLU H H 62 8.949 9.128 -0.179 1 1 777 . 10 1 1 A 62 62 GLU HA H 62 3.340 4.336 -0.996 1 1 782 . 10 1 1 A 62 62 GLU C C 62 176.170 175.677 0.493 1 1 783 . 10 1 1 A 62 62 GLU CA C 62 59.156 57.882 1.274 1 1 784 . 10 1 1 A 62 62 GLU CB C 62 28.040 29.308 -1.268 1 1 786 . 10 1 1 A 62 62 GLU N N 62 112.860 120.209 -7.349 1 1 787 . 10 1 1 A 63 63 ALA H H 63 7.604 7.871 -0.267 1 1 788 . 10 1 1 A 63 63 ALA HA H 63 4.020 4.484 -0.464 1 1 792 . 10 1 1 A 63 63 ALA C C 63 175.530 176.872 -1.342 1 1 793 . 10 1 1 A 63 63 ALA CA C 63 53.074 52.468 0.606 1 1 794 . 10 1 1 A 63 63 ALA CB C 63 19.323 20.217 -0.894 1 1 795 . 10 1 1 A 63 63 ALA N N 63 122.700 125.122 -2.422 1 1 796 . 10 1 1 A 64 64 PHE H H 64 8.876 9.020 -0.144 1 1 797 . 10 1 1 A 64 64 PHE HA H 64 5.470 5.572 -0.102 1 1 802 . 10 1 1 A 64 64 PHE C C 64 175.480 175.577 -0.097 1 1 803 . 10 1 1 A 64 64 PHE CA C 64 56.780 56.934 -0.154 1 1 804 . 10 1 1 A 64 64 PHE CB C 64 41.566 41.360 0.206 1 1 807 . 10 1 1 A 64 64 PHE N N 64 118.670 118.445 0.225 1 1 808 . 10 1 1 A 65 65 LEU H H 65 8.870 9.234 -0.364 1 1 809 . 10 1 1 A 65 65 LEU HA H 65 5.390 5.320 0.070 1 1 819 . 10 1 1 A 65 65 LEU C C 65 176.030 175.888 0.142 1 1 820 . 10 1 1 A 65 65 LEU CA C 65 52.926 53.968 -1.042 1 1 821 . 10 1 1 A 65 65 LEU CB C 65 45.561 45.901 -0.340 1 1 825 . 10 1 1 A 65 65 LEU N N 65 118.700 121.651 -2.951 1 1 826 . 10 1 1 A 66 66 ARG H H 66 9.031 9.161 -0.130 1 1 827 . 10 1 1 A 66 66 ARG HA H 66 4.345 4.528 -0.183 1 1 835 . 10 1 1 A 66 66 ARG C C 66 174.220 174.846 -0.626 1 1 836 . 10 1 1 A 66 66 ARG CA C 66 54.957 55.504 -0.547 1 1 837 . 10 1 1 A 66 66 ARG CB C 66 32.885 29.365 3.520 1 1 840 . 10 1 1 A 66 66 ARG N N 66 121.590 124.895 -3.305 1 1 842 . 10 1 1 A 67 67 VAL H H 67 9.359 8.203 1.156 1 1 843 . 10 1 1 A 67 67 VAL HA H 67 4.400 4.443 -0.043 1 1 851 . 10 1 1 A 67 67 VAL C C 67 174.070 175.042 -0.972 1 1 852 . 10 1 1 A 67 67 VAL CA C 67 60.910 61.551 -0.641 1 1 853 . 10 1 1 A 67 67 VAL CB C 67 33.960 32.101 1.859 1 1 856 . 10 1 1 A 67 67 VAL N N 67 126.230 125.154 1.076 1 1 857 . 10 1 1 A 68 68 TYR H H 68 8.710 9.139 -0.429 1 1 858 . 10 1 1 A 68 68 TYR HA H 68 5.070 4.571 0.499 1 1 865 . 10 1 1 A 68 68 TYR C C 68 175.390 174.223 1.167 1 1 866 . 10 1 1 A 68 68 TYR CA C 68 57.290 57.770 -0.480 1 1 867 . 10 1 1 A 68 68 TYR CB C 68 38.690 38.688 0.002 1 1 872 . 10 1 1 A 68 68 TYR N N 68 125.200 128.618 -3.418 1 1 873 . 10 1 1 A 69 69 HIS H H 69 9.224 8.706 0.518 1 1 874 . 10 1 1 A 69 69 HIS HA H 69 5.200 5.413 -0.213 1 1 879 . 10 1 1 A 69 69 HIS C C 69 173.600 173.641 -0.041 1 1 880 . 10 1 1 A 69 69 HIS CA C 69 56.502 54.670 1.832 1 1 881 . 10 1 1 A 69 69 HIS CB C 69 35.873 30.903 4.970 1 1 884 . 10 1 1 A 69 69 HIS N N 69 124.780 129.168 -4.388 1 1 885 . 10 1 1 A 70 70 SER H H 70 7.425 8.463 -1.038 1 1 886 . 10 1 1 A 70 70 SER HA H 70 4.800 4.875 -0.075 1 1 889 . 10 1 1 A 70 70 SER C C 70 173.790 174.846 -1.056 1 1 890 . 10 1 1 A 70 70 SER CA C 70 56.840 55.398 1.442 1 1 891 . 10 1 1 A 70 70 SER CB C 70 66.500 65.381 1.119 1 1 892 . 10 1 1 A 70 70 SER N N 70 118.910 118.470 0.440 1 1 893 . 10 1 1 A 71 71 ASP H H 71 9.020 8.943 0.077 1 1 894 . 10 1 1 A 71 71 ASP HA H 71 4.390 4.321 0.069 1 1 897 . 10 1 1 A 71 71 ASP C C 71 178.030 178.233 -0.203 1 1 898 . 10 1 1 A 71 71 ASP CA C 71 57.220 56.284 0.936 1 1 899 . 10 1 1 A 71 71 ASP CB C 71 40.622 40.368 0.254 1 1 900 . 10 1 1 A 71 71 ASP N N 71 123.340 122.674 0.666 1 1 901 . 10 1 1 A 72 72 LYS H H 72 8.220 7.717 0.503 1 1 902 . 10 1 1 A 72 72 LYS HA H 72 4.123 4.060 0.063 1 1 911 . 10 1 1 A 72 72 LYS C C 72 177.560 177.544 0.016 1 1 912 . 10 1 1 A 72 72 LYS CA C 72 58.383 59.542 -1.159 1 1 913 . 10 1 1 A 72 72 LYS CB C 72 32.778 32.091 0.687 1 1 917 . 10 1 1 A 72 72 LYS N N 72 116.640 120.067 -3.427 1 1 918 . 10 1 1 A 73 73 LYS H H 73 7.367 7.422 -0.055 1 1 919 . 10 1 1 A 73 73 LYS HA H 73 4.449 4.556 -0.107 1 1 928 . 10 1 1 A 73 73 LYS C C 73 176.750 176.713 0.037 1 1 929 . 10 1 1 A 73 73 LYS CA C 73 55.614 55.103 0.511 1 1 930 . 10 1 1 A 73 73 LYS CB C 73 33.910 33.149 0.761 1 1 934 . 10 1 1 A 73 73 LYS N N 73 115.780 115.582 0.198 1 1 935 . 10 1 1 A 74 74 GLY H H 74 8.240 7.945 0.295 1 1 936 . 10 1 1 A 74 74 GLY HA2 H 74 3.630 3.772 -0.142 1 1 937 . 10 1 1 A 74 74 GLY HA3 H 74 4.240 3.981 0.259 1 1 938 . 10 1 1 A 74 74 GLY C C 74 174.817 173.405 1.412 1 1 939 . 10 1 1 A 74 74 GLY CA C 74 45.075 45.580 -0.505 1 1 940 . 10 1 1 A 74 74 GLY N N 74 110.370 108.561 1.809 1 1 941 . 10 1 1 A 75 75 VAL H H 75 9.140 8.031 1.109 1 1 942 . 10 1 1 A 75 75 VAL HA H 75 4.640 4.807 -0.167 1 1 950 . 10 1 1 A 75 75 VAL C C 75 177.000 175.098 1.902 1 1 951 . 10 1 1 A 75 75 VAL CA C 75 63.550 60.627 2.923 1 1 952 . 10 1 1 A 75 75 VAL CB C 75 32.237 34.731 -2.494 1 1 955 . 10 1 1 A 75 75 VAL N N 75 124.300 120.736 3.564 1 1 956 . 10 1 1 A 76 76 SER H H 76 9.020 8.984 0.036 1 1 957 . 10 1 1 A 76 76 SER HA H 76 4.640 4.632 0.008 1 1 960 . 10 1 1 A 76 76 SER C C 76 174.250 173.248 1.002 1 1 961 . 10 1 1 A 76 76 SER CA C 76 58.440 59.547 -1.107 1 1 962 . 10 1 1 A 76 76 SER CB C 76 64.550 65.888 -1.338 1 1 963 . 10 1 1 A 76 76 SER N N 76 122.490 121.575 0.915 1 1 964 . 10 1 1 A 77 77 ALA H H 77 7.890 7.674 0.216 1 1 965 . 10 1 1 A 77 77 ALA HA H 77 4.420 4.579 -0.159 1 1 969 . 10 1 1 A 77 77 ALA C C 77 174.430 175.384 -0.954 1 1 970 . 10 1 1 A 77 77 ALA CA C 77 51.940 51.154 0.786 1 1 971 . 10 1 1 A 77 77 ALA CB C 77 22.234 22.523 -0.289 1 1 972 . 10 1 1 A 77 77 ALA N N 77 122.930 120.115 2.815 1 1 973 . 10 1 1 A 78 78 TRP H H 78 7.776 8.396 -0.620 1 1 974 . 10 1 1 A 78 78 TRP HA H 78 5.690 5.516 0.174 1 1 982 . 10 1 1 A 78 78 TRP C C 78 174.450 173.146 1.304 1 1 983 . 10 1 1 A 78 78 TRP CA C 78 55.899 55.707 0.192 1 1 984 . 10 1 1 A 78 78 TRP CB C 78 32.602 32.054 0.548 1 1 989 . 10 1 1 A 78 78 TRP N N 78 114.705 116.417 -1.712 1 1 991 . 10 1 1 A 79 79 GLU H H 79 9.210 8.949 0.261 1 1 992 . 10 1 1 A 79 79 GLU HA H 79 4.730 5.071 -0.341 1 1 997 . 10 1 1 A 79 79 GLU C C 79 174.130 174.708 -0.578 1 1 998 . 10 1 1 A 79 79 GLU CA C 79 54.939 54.887 0.052 1 1 999 . 10 1 1 A 79 79 GLU CB C 79 31.656 33.064 -1.408 1 1 1001 . 10 1 1 A 79 79 GLU N N 79 114.860 121.194 -6.334 1 1 1002 . 10 1 1 A 80 80 GLU H H 80 9.120 8.813 0.307 1 1 1003 . 10 1 1 A 80 80 GLU HA H 80 5.030 5.152 -0.122 1 1 1008 . 10 1 1 A 80 80 GLU C C 80 176.580 176.056 0.524 1 1 1009 . 10 1 1 A 80 80 GLU CA C 80 57.193 55.700 1.493 1 1 1010 . 10 1 1 A 80 80 GLU CB C 80 29.856 31.392 -1.536 1 1 1012 . 10 1 1 A 80 80 GLU N N 80 123.960 123.282 0.678 1 1 1013 . 10 1 1 A 81 81 VAL H H 81 8.694 9.405 -0.711 1 1 1014 . 10 1 1 A 81 81 VAL HA H 81 4.780 5.091 -0.311 1 1 1022 . 10 1 1 A 81 81 VAL C C 81 174.460 174.739 -0.279 1 1 1023 . 10 1 1 A 81 81 VAL CA C 81 58.927 59.023 -0.096 1 1 1024 . 10 1 1 A 81 81 VAL CB C 81 35.550 36.352 -0.802 1 1 1027 . 10 1 1 A 81 81 VAL N N 81 118.990 119.387 -0.397 1 1 1028 . 10 1 1 A 82 82 LYS H H 82 8.708 8.509 0.199 1 1 1029 . 10 1 1 A 82 82 LYS HA H 82 4.580 4.891 -0.311 1 1 1038 . 10 1 1 A 82 82 LYS C C 82 178.380 177.476 0.904 1 1 1039 . 10 1 1 A 82 82 LYS CA C 82 55.212 54.404 0.808 1 1 1040 . 10 1 1 A 82 82 LYS CB C 82 33.689 34.876 -1.187 1 1 1044 . 10 1 1 A 82 82 LYS N N 82 120.850 120.840 0.010 1 1 1045 . 10 1 1 A 83 83 LYS H H 83 8.870 8.933 -0.063 1 1 1046 . 10 1 1 A 83 83 LYS HA H 83 3.180 3.569 -0.389 1 1 1055 . 10 1 1 A 83 83 LYS C C 83 177.690 177.556 0.134 1 1 1056 . 10 1 1 A 83 83 LYS CA C 83 59.370 58.346 1.024 1 1 1057 . 10 1 1 A 83 83 LYS CB C 83 32.209 31.737 0.472 1 1 1061 . 10 1 1 A 83 83 LYS N N 83 121.435 120.846 0.589 1 1 1062 . 10 1 1 A 84 84 ASP H H 84 8.059 8.073 -0.014 1 1 1063 . 10 1 1 A 84 84 ASP HA H 84 4.220 4.492 -0.272 1 1 1066 . 10 1 1 A 84 84 ASP C C 84 177.100 177.101 -0.001 1 1 1067 . 10 1 1 A 84 84 ASP CA C 84 55.680 56.267 -0.587 1 1 1068 . 10 1 1 A 84 84 ASP CB C 84 40.392 40.507 -0.115 1 1 1069 . 10 1 1 A 84 84 ASP N N 84 112.520 119.281 -6.761 1 1 1070 . 10 1 1 A 85 85 GLU H H 85 7.686 7.654 0.032 1 1 1071 . 10 1 1 A 85 85 GLU HA H 85 4.136 4.387 -0.251 1 1 1076 . 10 1 1 A 85 85 GLU C C 85 176.270 174.855 1.415 1 1 1077 . 10 1 1 A 85 85 GLU CA C 85 56.133 55.563 0.570 1 1 1078 . 10 1 1 A 85 85 GLU CB C 85 30.479 30.186 0.293 1 1 1080 . 10 1 1 A 85 85 GLU N N 85 116.930 117.437 -0.507 1 1 1081 . 10 1 1 A 86 86 LEU H H 86 7.017 7.040 -0.023 1 1 1082 . 10 1 1 A 86 86 LEU HA H 86 3.710 4.469 -0.759 1 1 1092 . 10 1 1 A 86 86 LEU CA C 86 52.600 50.898 1.702 1 1 1093 . 10 1 1 A 86 86 LEU CB C 86 42.120 43.301 -1.181 1 1 1097 . 10 1 1 A 86 86 LEU N N 86 119.530 121.390 -1.860 1 1 1098 . 10 1 1 A 87 87 PRO HA H 87 4.330 4.503 -0.173 1 1 1105 . 10 1 1 A 87 87 PRO C C 87 176.940 177.619 -0.679 1 1 1106 . 10 1 1 A 87 87 PRO CA C 87 62.400 62.821 -0.421 1 1 1107 . 10 1 1 A 87 87 PRO CB C 87 32.537 32.034 0.503 1 1 1110 . 10 1 1 A 88 88 ALA H H 88 8.943 8.658 0.285 1 1 1111 . 10 1 1 A 88 88 ALA HA H 88 3.780 3.976 -0.196 1 1 1115 . 10 1 1 A 88 88 ALA C C 88 180.520 179.557 0.963 1 1 1116 . 10 1 1 A 88 88 ALA CA C 88 56.911 55.218 1.693 1 1 1117 . 10 1 1 A 88 88 ALA CB C 88 18.502 18.070 0.432 1 1 1118 . 10 1 1 A 88 88 ALA N N 88 128.160 127.712 0.448 1 1 1119 . 10 1 1 A 89 89 LYS H H 89 9.270 8.007 1.263 1 1 1120 . 10 1 1 A 89 89 LYS HA H 89 3.990 3.908 0.082 1 1 1129 . 10 1 1 A 89 89 LYS C C 89 179.070 178.972 0.098 1 1 1130 . 10 1 1 A 89 89 LYS CA C 89 58.648 59.883 -1.235 1 1 1131 . 10 1 1 A 89 89 LYS CB C 89 31.962 32.120 -0.158 1 1 1135 . 10 1 1 A 89 89 LYS N N 89 115.610 118.784 -3.174 1 1 1136 . 10 1 1 A 90 90 VAL H H 90 6.846 7.488 -0.642 1 1 1137 . 10 1 1 A 90 90 VAL HA H 90 3.230 3.519 -0.289 1 1 1145 . 10 1 1 A 90 90 VAL C C 90 177.100 178.029 -0.929 1 1 1146 . 10 1 1 A 90 90 VAL CA C 90 65.870 66.620 -0.750 1 1 1147 . 10 1 1 A 90 90 VAL CB C 90 30.880 31.410 -0.530 1 1 1150 . 10 1 1 A 90 90 VAL N N 90 117.560 119.517 -1.957 1 1 1151 . 10 1 1 A 91 91 LYS H H 91 7.850 7.937 -0.087 1 1 1152 . 10 1 1 A 91 91 LYS HA H 91 3.430 3.923 -0.493 1 1 1161 . 10 1 1 A 91 91 LYS C C 91 178.420 178.606 -0.186 1 1 1162 . 10 1 1 A 91 91 LYS CA C 91 61.028 59.090 1.938 1 1 1163 . 10 1 1 A 91 91 LYS CB C 91 32.387 32.102 0.285 1 1 1167 . 10 1 1 A 91 91 LYS N N 91 118.750 119.657 -0.907 1 1 1168 . 10 1 1 A 92 92 GLU H H 92 7.282 8.094 -0.812 1 1 1169 . 10 1 1 A 92 92 GLU HA H 92 3.990 4.086 -0.096 1 1 1174 . 10 1 1 A 92 92 GLU C C 92 179.380 179.001 0.379 1 1 1175 . 10 1 1 A 92 92 GLU CA C 92 59.030 59.159 -0.129 1 1 1176 . 10 1 1 A 92 92 GLU CB C 92 29.841 29.383 0.458 1 1 1178 . 10 1 1 A 92 92 GLU N N 92 115.375 119.117 -3.742 1 1 1179 . 10 1 1 A 93 93 LYS H H 93 7.343 7.973 -0.630 1 1 1180 . 10 1 1 A 93 93 LYS HA H 93 3.800 4.048 -0.248 1 1 1189 . 10 1 1 A 93 93 LYS C C 93 178.310 177.608 0.702 1 1 1190 . 10 1 1 A 93 93 LYS CA C 93 56.970 58.806 -1.836 1 1 1191 . 10 1 1 A 93 93 LYS CB C 93 30.740 32.148 -1.408 1 1 1195 . 10 1 1 A 93 93 LYS N N 93 118.370 119.900 -1.530 1 1 1196 . 10 1 1 A 94 94 LEU H H 94 8.000 7.887 0.113 1 1 1197 . 10 1 1 A 94 94 LEU HA H 94 4.360 4.169 0.191 1 1 1207 . 10 1 1 A 94 94 LEU C C 94 177.350 177.370 -0.020 1 1 1208 . 10 1 1 A 94 94 LEU CA C 94 54.765 55.946 -1.181 1 1 1209 . 10 1 1 A 94 94 LEU CB C 94 42.796 41.780 1.016 1 1 1213 . 10 1 1 A 94 94 LEU N N 94 115.600 119.787 -4.187 1 1 1214 . 10 1 1 A 95 95 GLY H H 95 7.601 8.576 -0.975 1 1 1215 . 10 1 1 A 95 95 GLY HA2 H 95 3.830 3.939 -0.109 1 1 1216 . 10 1 1 A 95 95 GLY HA3 H 95 3.950 3.959 -0.009 1 1 1217 . 10 1 1 A 95 95 GLY C C 95 174.790 174.860 -0.070 1 1 1218 . 10 1 1 A 95 95 GLY CA C 95 46.550 45.761 0.789 1 1 1219 . 10 1 1 A 95 95 GLY N N 95 108.540 113.936 -5.396 1 1 1220 . 10 1 1 A 96 96 VAL H H 96 7.957 7.834 0.123 1 1 1221 . 10 1 1 A 96 96 VAL HA H 96 3.940 4.145 -0.205 1 1 1229 . 10 1 1 A 96 96 VAL C C 96 175.540 175.504 0.036 1 1 1230 . 10 1 1 A 96 96 VAL CA C 96 62.314 61.790 0.524 1 1 1231 . 10 1 1 A 96 96 VAL CB C 96 32.155 32.899 -0.744 1 1 1234 . 10 1 1 A 96 96 VAL N N 96 119.490 118.917 0.573 1 1 1235 . 10 1 1 A 97 97 LYS H H 97 8.293 8.352 -0.059 1 1 1236 . 10 1 1 A 97 97 LYS HA H 97 4.210 4.906 -0.696 1 1 1245 . 10 1 1 A 97 97 LYS C C 97 176.290 176.126 0.164 1 1 1246 . 10 1 1 A 97 97 LYS CA C 97 56.174 54.577 1.597 1 1 1247 . 10 1 1 A 97 97 LYS CB C 97 33.200 35.566 -2.366 1 1 1251 . 10 1 1 A 97 97 LYS N N 97 126.120 119.523 6.597 1 1 1252 . 10 1 1 A 98 98 LEU H H 98 8.315 8.958 -0.643 1 1 1253 . 10 1 1 A 98 98 LEU HA H 98 4.240 4.319 -0.079 1 1 1263 . 10 1 1 A 98 98 LEU C C 98 176.930 176.484 0.446 1 1 1264 . 10 1 1 A 98 98 LEU CA C 98 54.800 55.280 -0.480 1 1 1265 . 10 1 1 A 98 98 LEU CB C 98 42.217 41.329 0.888 1 1 1269 . 10 1 1 A 98 98 LEU N N 98 124.170 121.463 2.707 1 1 1270 . 10 1 1 A 99 99 GLU H H 99 8.375 8.759 -0.384 1 1 1271 . 10 1 1 A 99 99 GLU HA H 99 4.175 3.822 0.353 1 1 1276 . 10 1 1 A 99 99 GLU C C 99 176.035 177.000 -0.965 1 1 1277 . 10 1 1 A 99 99 GLU CA C 99 56.352 58.990 -2.638 1 1 1278 . 10 1 1 A 99 99 GLU CB C 99 30.460 29.119 1.341 1 1 1280 . 10 1 1 A 99 99 GLU N N 99 122.010 124.950 -2.940 1 1 1281 . 10 1 1 A 100 100 HIS H H 100 8.350 8.054 0.296 1 1 1282 . 10 1 1 A 100 100 HIS HA H 100 4.565 4.154 0.411 1 1 1285 . 10 1 1 A 100 100 HIS C C 100 173.880 174.497 -0.617 1 1 1286 . 10 1 1 A 100 100 HIS CA C 100 56.050 57.085 -1.035 1 1 1287 . 10 1 1 A 100 100 HIS CB C 100 30.144 29.039 1.105 1 1 1288 . 10 1 1 A 100 100 HIS N N 100 120.245 119.356 0.889 1 1 1289 . 10 1 1 A 101 101 HIS H H 101 8.134 7.704 0.430 1 1 1290 . 10 1 1 A 101 101 HIS HA H 101 4.410 4.488 -0.078 1 1 1293 . 10 1 1 A 101 101 HIS CA C 101 57.290 57.247 0.043 1 1 1294 . 10 1 1 A 101 101 HIS CB C 101 31.450 30.305 1.145 1 1 1 . 11 1 1 A 2 2 ASP HA H 2 4.670 4.896 -0.226 1 1 4 . 11 1 1 A 2 2 ASP C C 2 176.480 177.088 -0.608 1 1 5 . 11 1 1 A 2 2 ASP CA C 2 53.400 53.113 0.287 1 1 6 . 11 1 1 A 2 2 ASP CB C 2 41.170 38.647 2.523 1 1 7 . 11 1 1 A 3 3 LEU H H 3 8.650 8.164 0.486 1 1 8 . 11 1 1 A 3 3 LEU HA H 3 4.116 4.095 0.021 1 1 18 . 11 1 1 A 3 3 LEU C C 3 177.880 178.790 -0.910 1 1 19 . 11 1 1 A 3 3 LEU CA C 3 56.390 56.997 -0.607 1 1 20 . 11 1 1 A 3 3 LEU CB C 3 41.660 41.790 -0.130 1 1 24 . 11 1 1 A 3 3 LEU N N 3 125.300 121.176 4.124 1 1 25 . 11 1 1 A 4 4 ASN H H 4 8.370 8.312 0.058 1 1 26 . 11 1 1 A 4 4 ASN HA H 4 4.490 4.416 0.074 1 1 31 . 11 1 1 A 4 4 ASN C C 4 175.050 177.399 -2.349 1 1 32 . 11 1 1 A 4 4 ASN CA C 4 54.320 56.307 -1.987 1 1 33 . 11 1 1 A 4 4 ASN CB C 4 38.240 38.232 0.008 1 1 34 . 11 1 1 A 4 4 ASN N N 4 116.550 118.574 -2.024 1 1 36 . 11 1 1 A 5 5 ARG H H 5 7.645 8.158 -0.513 1 1 37 . 11 1 1 A 5 5 ARG HA H 5 3.920 4.321 -0.401 1 1 45 . 11 1 1 A 5 5 ARG C C 5 176.030 177.175 -1.145 1 1 46 . 11 1 1 A 5 5 ARG CA C 5 56.180 56.425 -0.245 1 1 47 . 11 1 1 A 5 5 ARG CB C 5 31.570 30.299 1.271 1 1 50 . 11 1 1 A 5 5 ARG N N 5 118.590 116.327 2.263 1 1 52 . 11 1 1 A 6 6 MET H H 6 7.809 7.858 -0.049 1 1 53 . 11 1 1 A 6 6 MET HA H 6 4.355 4.445 -0.090 1 1 58 . 11 1 1 A 6 6 MET C C 6 176.940 177.218 -0.278 1 1 59 . 11 1 1 A 6 6 MET CA C 6 56.290 56.411 -0.121 1 1 60 . 11 1 1 A 6 6 MET CB C 6 33.020 33.105 -0.085 1 1 62 . 11 1 1 A 6 6 MET N N 6 120.180 117.049 3.131 1 1 63 . 11 1 1 A 7 7 GLY H H 7 8.906 7.850 1.056 1 1 64 . 11 1 1 A 7 7 GLY HA2 H 7 3.870 4.003 -0.133 1 1 65 . 11 1 1 A 7 7 GLY HA3 H 7 3.950 4.009 -0.059 1 1 66 . 11 1 1 A 7 7 GLY C C 7 174.280 172.958 1.322 1 1 67 . 11 1 1 A 7 7 GLY CA C 7 46.110 45.192 0.918 1 1 68 . 11 1 1 A 7 7 GLY N N 7 112.660 106.617 6.043 1 1 69 . 11 1 1 A 8 8 LYS H H 8 7.819 8.403 -0.584 1 1 70 . 11 1 1 A 8 8 LYS HA H 8 4.550 5.038 -0.488 1 1 79 . 11 1 1 A 8 8 LYS C C 8 176.060 174.463 1.597 1 1 80 . 11 1 1 A 8 8 LYS CA C 8 54.444 54.269 0.175 1 1 81 . 11 1 1 A 8 8 LYS CB C 8 33.760 36.545 -2.785 1 1 85 . 11 1 1 A 8 8 LYS N N 8 119.130 120.921 -1.791 1 1 86 . 11 1 1 A 9 9 ASP H H 9 8.790 7.902 0.888 1 1 87 . 11 1 1 A 9 9 ASP HA H 9 4.730 5.141 -0.411 1 1 90 . 11 1 1 A 9 9 ASP C C 9 174.530 175.288 -0.758 1 1 91 . 11 1 1 A 9 9 ASP CA C 9 54.560 52.906 1.654 1 1 92 . 11 1 1 A 9 9 ASP CB C 9 42.530 42.285 0.245 1 1 93 . 11 1 1 A 9 9 ASP N N 9 121.550 120.872 0.678 1 1 94 . 11 1 1 A 10 10 GLU H H 10 7.950 8.771 -0.821 1 1 95 . 11 1 1 A 10 10 GLU HA H 10 4.570 5.023 -0.453 1 1 100 . 11 1 1 A 10 10 GLU C C 10 174.080 173.715 0.365 1 1 101 . 11 1 1 A 10 10 GLU CA C 10 54.640 54.342 0.298 1 1 102 . 11 1 1 A 10 10 GLU CB C 10 31.380 32.954 -1.574 1 1 104 . 11 1 1 A 10 10 GLU N N 10 119.640 120.733 -1.093 1 1 105 . 11 1 1 A 11 11 TYR H H 11 8.767 9.266 -0.499 1 1 106 . 11 1 1 A 11 11 TYR HA H 11 4.555 5.314 -0.759 1 1 113 . 11 1 1 A 11 11 TYR C C 11 173.480 174.663 -1.183 1 1 114 . 11 1 1 A 11 11 TYR CA C 11 56.360 56.468 -0.108 1 1 115 . 11 1 1 A 11 11 TYR CB C 11 43.860 41.807 2.053 1 1 120 . 11 1 1 A 11 11 TYR N N 11 120.960 122.269 -1.309 1 1 121 . 11 1 1 A 12 12 TYR H H 12 9.290 9.317 -0.027 1 1 122 . 11 1 1 A 12 12 TYR HA H 12 5.730 5.091 0.639 1 1 129 . 11 1 1 A 12 12 TYR C C 12 175.700 175.937 -0.237 1 1 130 . 11 1 1 A 12 12 TYR CA C 12 56.680 57.645 -0.965 1 1 131 . 11 1 1 A 12 12 TYR CB C 12 42.180 38.060 4.120 1 1 136 . 11 1 1 A 12 12 TYR N N 12 118.880 123.679 -4.799 1 1 137 . 11 1 1 A 13 13 VAL H H 13 8.670 9.128 -0.458 1 1 138 . 11 1 1 A 13 13 VAL HA H 13 5.050 5.341 -0.291 1 1 146 . 11 1 1 A 13 13 VAL C C 13 174.820 175.153 -0.333 1 1 147 . 11 1 1 A 13 13 VAL CA C 13 58.130 59.506 -1.376 1 1 148 . 11 1 1 A 13 13 VAL CB C 13 35.890 34.753 1.137 1 1 151 . 11 1 1 A 13 13 VAL N N 13 112.280 118.679 -6.399 1 1 152 . 11 1 1 A 14 14 GLN H H 14 8.760 8.857 -0.097 1 1 153 . 11 1 1 A 14 14 GLN HA H 14 5.090 4.735 0.355 1 1 160 . 11 1 1 A 14 14 GLN C C 14 175.000 175.688 -0.688 1 1 161 . 11 1 1 A 14 14 GLN CA C 14 53.520 54.157 -0.637 1 1 162 . 11 1 1 A 14 14 GLN CB C 14 31.250 31.869 -0.619 1 1 164 . 11 1 1 A 14 14 GLN N N 14 120.910 120.179 0.731 1 1 166 . 11 1 1 A 15 15 ILE H H 15 8.843 8.745 0.098 1 1 167 . 11 1 1 A 15 15 ILE HA H 15 3.900 4.183 -0.283 1 1 177 . 11 1 1 A 15 15 ILE C C 15 177.090 177.181 -0.091 1 1 178 . 11 1 1 A 15 15 ILE CA C 15 59.269 61.712 -2.443 1 1 179 . 11 1 1 A 15 15 ILE CB C 15 34.050 36.707 -2.657 1 1 183 . 11 1 1 A 15 15 ILE N N 15 125.520 123.156 2.364 1 1 184 . 11 1 1 A 16 16 THR H H 16 7.996 8.012 -0.016 1 1 185 . 11 1 1 A 16 16 THR HA H 16 4.540 4.149 0.391 1 1 190 . 11 1 1 A 16 16 THR C C 16 173.650 174.792 -1.142 1 1 191 . 11 1 1 A 16 16 THR CA C 16 61.180 65.104 -3.924 1 1 192 . 11 1 1 A 16 16 THR CB C 16 69.300 68.267 1.033 1 1 194 . 11 1 1 A 16 16 THR N N 16 118.080 118.501 -0.421 1 1 195 . 11 1 1 A 17 17 VAL H H 17 7.240 7.478 -0.238 1 1 196 . 11 1 1 A 17 17 VAL HA H 17 4.659 4.469 0.190 1 1 204 . 11 1 1 A 17 17 VAL C C 17 175.135 174.654 0.481 1 1 205 . 11 1 1 A 17 17 VAL CA C 17 58.870 60.635 -1.765 1 1 206 . 11 1 1 A 17 17 VAL CB C 17 36.070 32.934 3.136 1 1 209 . 11 1 1 A 17 17 VAL N N 17 113.230 117.971 -4.741 1 1 210 . 11 1 1 A 18 18 ASP H H 18 8.280 8.621 -0.341 1 1 211 . 11 1 1 A 18 18 ASP HA H 18 5.010 4.779 0.231 1 1 214 . 11 1 1 A 18 18 ASP C C 18 177.350 176.281 1.069 1 1 215 . 11 1 1 A 18 18 ASP CA C 18 54.765 52.791 1.974 1 1 216 . 11 1 1 A 18 18 ASP CB C 18 42.120 42.597 -0.477 1 1 217 . 11 1 1 A 18 18 ASP N N 18 120.730 125.453 -4.723 1 1 218 . 11 1 1 A 19 19 GLY H H 19 8.951 8.641 0.310 1 1 219 . 11 1 1 A 19 19 GLY HA2 H 19 2.920 3.627 -0.707 1 1 220 . 11 1 1 A 19 19 GLY HA3 H 19 2.978 3.796 -0.818 1 1 221 . 11 1 1 A 19 19 GLY C C 19 172.450 174.217 -1.767 1 1 222 . 11 1 1 A 19 19 GLY CA C 19 45.370 45.541 -0.171 1 1 223 . 11 1 1 A 19 19 GLY N N 19 110.580 110.454 0.126 1 1 224 . 11 1 1 A 20 20 LYS H H 20 8.110 7.771 0.339 1 1 225 . 11 1 1 A 20 20 LYS HA H 20 4.374 4.431 -0.057 1 1 234 . 11 1 1 A 20 20 LYS C C 20 175.710 175.248 0.462 1 1 235 . 11 1 1 A 20 20 LYS CA C 20 54.800 55.244 -0.444 1 1 236 . 11 1 1 A 20 20 LYS CB C 20 33.240 31.159 2.081 1 1 240 . 11 1 1 A 20 20 LYS N N 20 124.290 122.375 1.915 1 1 241 . 11 1 1 A 21 21 GLU H H 21 8.710 7.959 0.751 1 1 242 . 11 1 1 A 21 21 GLU HA H 21 3.930 4.674 -0.744 1 1 247 . 11 1 1 A 21 21 GLU C C 21 175.960 175.689 0.271 1 1 248 . 11 1 1 A 21 21 GLU CA C 21 56.940 55.979 0.961 1 1 249 . 11 1 1 A 21 21 GLU CB C 21 30.439 30.420 0.019 1 1 251 . 11 1 1 A 21 21 GLU N N 21 128.720 124.870 3.850 1 1 252 . 11 1 1 A 22 22 VAL H H 22 8.621 8.974 -0.353 1 1 253 . 11 1 1 A 22 22 VAL HA H 22 4.160 4.847 -0.687 1 1 261 . 11 1 1 A 22 22 VAL C C 22 175.210 174.089 1.121 1 1 262 . 11 1 1 A 22 22 VAL CA C 22 61.027 60.720 0.307 1 1 263 . 11 1 1 A 22 22 VAL CB C 22 34.501 32.990 1.511 1 1 266 . 11 1 1 A 22 22 VAL N N 22 125.340 116.798 8.542 1 1 267 . 11 1 1 A 23 23 HIS H H 23 8.607 8.983 -0.376 1 1 268 . 11 1 1 A 23 23 HIS HA H 23 4.820 4.974 -0.154 1 1 273 . 11 1 1 A 23 23 HIS C C 23 175.040 173.522 1.518 1 1 274 . 11 1 1 A 23 23 HIS CA C 23 55.498 53.552 1.946 1 1 275 . 11 1 1 A 23 23 HIS CB C 23 30.660 30.047 0.613 1 1 278 . 11 1 1 A 23 23 HIS N N 23 124.000 128.139 -4.139 1 1 279 . 11 1 1 A 24 24 SER H H 24 8.480 8.344 0.136 1 1 280 . 11 1 1 A 24 24 SER HA H 24 4.480 4.470 0.010 1 1 283 . 11 1 1 A 24 24 SER C C 24 173.860 172.730 1.130 1 1 284 . 11 1 1 A 24 24 SER CA C 24 57.690 57.027 0.663 1 1 285 . 11 1 1 A 24 24 SER CB C 24 64.580 63.070 1.510 1 1 286 . 11 1 1 A 24 24 SER N N 24 118.250 121.768 -3.518 1 1 287 . 11 1 1 A 25 25 LYS H H 25 8.517 7.910 0.607 1 1 288 . 11 1 1 A 25 25 LYS HA H 25 4.561 4.529 0.032 1 1 297 . 11 1 1 A 25 25 LYS C C 25 176.160 175.855 0.305 1 1 298 . 11 1 1 A 25 25 LYS CA C 25 56.255 55.467 0.788 1 1 299 . 11 1 1 A 25 25 LYS CB C 25 33.714 32.841 0.873 1 1 303 . 11 1 1 A 25 25 LYS N N 25 122.750 126.563 -3.813 1 1 304 . 11 1 1 A 26 26 ALA H H 26 8.468 7.909 0.559 1 1 305 . 11 1 1 A 26 26 ALA HA H 26 4.470 4.576 -0.106 1 1 309 . 11 1 1 A 26 26 ALA C C 26 177.950 177.861 0.089 1 1 310 . 11 1 1 A 26 26 ALA CA C 26 51.912 53.624 -1.712 1 1 311 . 11 1 1 A 26 26 ALA CB C 26 20.050 19.468 0.582 1 1 312 . 11 1 1 A 26 26 ALA N N 26 125.370 123.971 1.399 1 1 313 . 11 1 1 A 27 27 ASP H H 27 8.509 8.056 0.453 1 1 314 . 11 1 1 A 27 27 ASP HA H 27 4.460 4.268 0.192 1 1 317 . 11 1 1 A 27 27 ASP C C 27 176.480 176.124 0.356 1 1 318 . 11 1 1 A 27 27 ASP CA C 27 55.490 56.494 -1.004 1 1 319 . 11 1 1 A 27 27 ASP CB C 27 40.771 39.410 1.361 1 1 320 . 11 1 1 A 27 27 ASP N N 27 120.380 115.114 5.266 1 1 321 . 11 1 1 A 28 28 ASN H H 28 8.193 8.553 -0.360 1 1 322 . 11 1 1 A 28 28 ASN HA H 28 4.620 4.866 -0.246 1 1 327 . 11 1 1 A 28 28 ASN C C 28 176.310 175.538 0.772 1 1 328 . 11 1 1 A 28 28 ASN CA C 28 53.050 52.960 0.090 1 1 329 . 11 1 1 A 28 28 ASN CB C 28 38.080 39.680 -1.600 1 1 330 . 11 1 1 A 28 28 ASN N N 28 117.470 117.901 -0.431 1 1 332 . 11 1 1 A 29 29 GLY H H 29 8.359 7.955 0.404 1 1 333 . 11 1 1 A 29 29 GLY HA2 H 29 4.110 4.094 0.016 1 1 334 . 11 1 1 A 29 29 GLY HA3 H 29 3.720 4.100 -0.380 1 1 335 . 11 1 1 A 29 29 GLY C C 29 174.365 174.556 -0.191 1 1 336 . 11 1 1 A 29 29 GLY CA C 29 45.688 45.049 0.639 1 1 337 . 11 1 1 A 29 29 GLY N N 29 108.230 107.072 1.158 1 1 338 . 11 1 1 A 30 30 GLN H H 30 7.920 8.218 -0.298 1 1 339 . 11 1 1 A 30 30 GLN HA H 30 4.200 4.401 -0.201 1 1 346 . 11 1 1 A 30 30 GLN C C 30 174.330 176.161 -1.831 1 1 347 . 11 1 1 A 30 30 GLN CA C 30 56.210 55.116 1.094 1 1 348 . 11 1 1 A 30 30 GLN CB C 30 29.320 27.988 1.332 1 1 350 . 11 1 1 A 30 30 GLN N N 30 119.670 121.189 -1.519 1 1 352 . 11 1 1 A 31 31 LYS H H 31 8.390 8.524 -0.134 1 1 353 . 11 1 1 A 31 31 LYS HA H 31 4.490 4.704 -0.214 1 1 362 . 11 1 1 A 31 31 LYS C C 31 176.052 175.751 0.301 1 1 363 . 11 1 1 A 31 31 LYS CA C 31 56.417 56.264 0.153 1 1 364 . 11 1 1 A 31 31 LYS CB C 31 33.414 32.416 0.998 1 1 368 . 11 1 1 A 31 31 LYS N N 31 121.950 126.823 -4.873 1 1 369 . 11 1 1 A 32 32 TYR H H 32 8.160 7.853 0.307 1 1 370 . 11 1 1 A 32 32 TYR HA H 32 4.770 4.594 0.176 1 1 377 . 11 1 1 A 32 32 TYR C C 32 175.560 175.015 0.545 1 1 378 . 11 1 1 A 32 32 TYR CA C 32 56.300 56.899 -0.599 1 1 379 . 11 1 1 A 32 32 TYR CB C 32 40.074 40.169 -0.095 1 1 384 . 11 1 1 A 32 32 TYR N N 32 119.960 118.521 1.439 1 1 385 . 11 1 1 A 33 33 LYS H H 33 8.397 8.876 -0.479 1 1 386 . 11 1 1 A 33 33 LYS HA H 33 4.610 4.768 -0.158 1 1 395 . 11 1 1 A 33 33 LYS C C 33 174.080 174.707 -0.627 1 1 396 . 11 1 1 A 33 33 LYS CA C 33 55.512 54.753 0.759 1 1 397 . 11 1 1 A 33 33 LYS CB C 33 34.570 35.500 -0.930 1 1 401 . 11 1 1 A 33 33 LYS N N 33 122.080 119.734 2.346 1 1 402 . 11 1 1 A 34 34 ASP H H 34 8.140 8.568 -0.428 1 1 403 . 11 1 1 A 34 34 ASP HA H 34 5.040 5.164 -0.124 1 1 406 . 11 1 1 A 34 34 ASP C C 34 173.740 174.253 -0.513 1 1 407 . 11 1 1 A 34 34 ASP CA C 34 53.104 52.803 0.301 1 1 408 . 11 1 1 A 34 34 ASP CB C 34 44.290 43.339 0.951 1 1 409 . 11 1 1 A 34 34 ASP N N 34 121.430 124.419 -2.989 1 1 410 . 11 1 1 A 35 35 TYR H H 35 8.849 8.828 0.021 1 1 411 . 11 1 1 A 35 35 TYR HA H 35 4.660 5.161 -0.501 1 1 418 . 11 1 1 A 35 35 TYR C C 35 174.450 174.333 0.117 1 1 419 . 11 1 1 A 35 35 TYR CA C 35 57.177 56.059 1.118 1 1 420 . 11 1 1 A 35 35 TYR CB C 35 40.955 41.811 -0.856 1 1 425 . 11 1 1 A 35 35 TYR N N 35 116.670 117.991 -1.321 1 1 426 . 11 1 1 A 36 36 GLU H H 36 9.144 9.168 -0.024 1 1 427 . 11 1 1 A 36 36 GLU HA H 36 4.615 4.844 -0.229 1 1 432 . 11 1 1 A 36 36 GLU C C 36 175.850 174.522 1.328 1 1 433 . 11 1 1 A 36 36 GLU CA C 36 55.700 54.567 1.133 1 1 434 . 11 1 1 A 36 36 GLU CB C 36 32.541 31.740 0.801 1 1 436 . 11 1 1 A 36 36 GLU N N 36 122.490 122.588 -0.098 1 1 437 . 11 1 1 A 37 37 TYR H H 37 8.598 8.875 -0.277 1 1 438 . 11 1 1 A 37 37 TYR HA H 37 4.090 4.614 -0.524 1 1 445 . 11 1 1 A 37 37 TYR C C 37 174.140 174.574 -0.434 1 1 446 . 11 1 1 A 37 37 TYR CA C 37 58.399 57.055 1.344 1 1 447 . 11 1 1 A 37 37 TYR CB C 37 41.690 36.734 4.956 1 1 452 . 11 1 1 A 37 37 TYR N N 37 122.480 126.804 -4.324 1 1 453 . 11 1 1 A 38 38 LYS H H 38 8.410 8.196 0.214 1 1 454 . 11 1 1 A 38 38 LYS HA H 38 5.080 4.534 0.546 1 1 463 . 11 1 1 A 38 38 LYS C C 38 174.980 174.960 0.020 1 1 464 . 11 1 1 A 38 38 LYS CA C 38 56.133 55.433 0.700 1 1 465 . 11 1 1 A 38 38 LYS CB C 38 33.525 32.500 1.025 1 1 469 . 11 1 1 A 38 38 LYS N N 38 124.250 126.861 -2.611 1 1 470 . 11 1 1 A 39 39 LEU H H 39 8.555 8.980 -0.425 1 1 471 . 11 1 1 A 39 39 LEU HA H 39 4.865 5.049 -0.184 1 1 480 . 11 1 1 A 39 39 LEU C C 39 175.120 176.008 -0.888 1 1 481 . 11 1 1 A 39 39 LEU CA C 39 53.316 53.253 0.063 1 1 482 . 11 1 1 A 39 39 LEU CB C 39 47.338 45.401 1.937 1 1 485 . 11 1 1 A 39 39 LEU N N 39 124.840 128.040 -3.200 1 1 486 . 11 1 1 A 40 40 THR H H 40 8.615 8.628 -0.013 1 1 487 . 11 1 1 A 40 40 THR HA H 40 4.410 4.744 -0.334 1 1 492 . 11 1 1 A 40 40 THR C C 40 173.360 173.847 -0.487 1 1 493 . 11 1 1 A 40 40 THR CA C 40 63.200 60.312 2.888 1 1 494 . 11 1 1 A 40 40 THR CB C 40 69.100 69.713 -0.613 1 1 496 . 11 1 1 A 40 40 THR N N 40 118.390 116.380 2.010 1 1 497 . 11 1 1 A 41 41 GLY H H 41 8.545 9.056 -0.511 1 1 498 . 11 1 1 A 41 41 GLY HA2 H 41 3.030 3.832 -0.802 1 1 499 . 11 1 1 A 41 41 GLY HA3 H 41 4.910 4.174 0.736 1 1 500 . 11 1 1 A 41 41 GLY C C 41 171.375 172.480 -1.105 1 1 501 . 11 1 1 A 41 41 GLY CA C 41 43.963 45.015 -1.052 1 1 502 . 11 1 1 A 41 41 GLY N N 41 113.500 114.037 -0.537 1 1 503 . 11 1 1 A 42 42 PHE H H 42 8.650 8.921 -0.271 1 1 504 . 11 1 1 A 42 42 PHE HA H 42 5.910 5.439 0.471 1 1 512 . 11 1 1 A 42 42 PHE C C 42 176.670 175.985 0.685 1 1 513 . 11 1 1 A 42 42 PHE CA C 42 56.260 58.134 -1.874 1 1 514 . 11 1 1 A 42 42 PHE CB C 42 44.750 40.490 4.260 1 1 520 . 11 1 1 A 42 42 PHE N N 42 113.300 122.794 -9.494 1 1 521 . 11 1 1 A 43 43 ASP H H 43 9.040 8.799 0.241 1 1 522 . 11 1 1 A 43 43 ASP HA H 43 5.100 5.107 -0.007 1 1 525 . 11 1 1 A 43 43 ASP C C 43 177.790 177.597 0.193 1 1 526 . 11 1 1 A 43 43 ASP CA C 43 51.990 54.075 -2.085 1 1 527 . 11 1 1 A 43 43 ASP CB C 43 41.660 41.919 -0.259 1 1 528 . 11 1 1 A 43 43 ASP N N 43 123.450 124.432 -0.982 1 1 529 . 11 1 1 A 44 44 LYS H H 44 8.689 8.894 -0.205 1 1 530 . 11 1 1 A 44 44 LYS HA H 44 3.920 4.089 -0.169 1 1 539 . 11 1 1 A 44 44 LYS C C 44 175.450 177.524 -2.074 1 1 540 . 11 1 1 A 44 44 LYS CA C 44 58.730 59.018 -0.288 1 1 541 . 11 1 1 A 44 44 LYS CB C 44 31.707 32.000 -0.293 1 1 545 . 11 1 1 A 44 44 LYS N N 44 113.360 124.247 -10.887 1 1 546 . 11 1 1 A 45 45 ASP H H 45 8.178 8.115 0.063 1 1 547 . 11 1 1 A 45 45 ASP HA H 45 4.930 4.685 0.245 1 1 550 . 11 1 1 A 45 45 ASP C C 45 176.710 176.694 0.016 1 1 551 . 11 1 1 A 45 45 ASP CA C 45 54.501 54.039 0.462 1 1 552 . 11 1 1 A 45 45 ASP CB C 45 42.260 41.683 0.577 1 1 553 . 11 1 1 A 45 45 ASP N N 45 119.050 117.010 2.040 1 1 554 . 11 1 1 A 46 46 GLY H H 46 8.853 8.236 0.617 1 1 555 . 11 1 1 A 46 46 GLY HA2 H 46 4.120 4.041 0.079 1 1 556 . 11 1 1 A 46 46 GLY HA3 H 46 3.350 4.106 -0.756 1 1 557 . 11 1 1 A 46 46 GLY C C 46 173.020 174.427 -1.407 1 1 558 . 11 1 1 A 46 46 GLY CA C 46 45.510 45.686 -0.176 1 1 559 . 11 1 1 A 46 46 GLY N N 46 110.250 107.129 3.121 1 1 560 . 11 1 1 A 47 47 LYS H H 47 8.640 7.818 0.822 1 1 561 . 11 1 1 A 47 47 LYS HA H 47 4.320 4.664 -0.344 1 1 570 . 11 1 1 A 47 47 LYS C C 47 176.180 175.912 0.268 1 1 571 . 11 1 1 A 47 47 LYS CA C 47 57.200 54.995 2.205 1 1 572 . 11 1 1 A 47 47 LYS CB C 47 32.300 34.195 -1.895 1 1 576 . 11 1 1 A 47 47 LYS N N 47 123.450 119.403 4.047 1 1 577 . 11 1 1 A 48 48 GLU H H 48 8.510 8.624 -0.114 1 1 578 . 11 1 1 A 48 48 GLU HA H 48 4.914 4.560 0.354 1 1 583 . 11 1 1 A 48 48 GLU C C 48 176.545 174.659 1.886 1 1 584 . 11 1 1 A 48 48 GLU CA C 48 55.540 55.082 0.458 1 1 585 . 11 1 1 A 48 48 GLU CB C 48 32.850 30.756 2.094 1 1 587 . 11 1 1 A 48 48 GLU N N 48 123.300 119.775 3.525 1 1 588 . 11 1 1 A 49 49 LYS H H 49 8.304 8.921 -0.617 1 1 589 . 11 1 1 A 49 49 LYS HA H 49 4.080 4.955 -0.875 1 1 598 . 11 1 1 A 49 49 LYS C C 49 173.870 175.232 -1.362 1 1 599 . 11 1 1 A 49 49 LYS CA C 49 54.797 54.158 0.639 1 1 600 . 11 1 1 A 49 49 LYS CB C 49 36.248 35.708 0.540 1 1 604 . 11 1 1 A 49 49 LYS N N 49 123.450 124.641 -1.191 1 1 605 . 11 1 1 A 50 50 GLU H H 50 8.377 8.473 -0.096 1 1 606 . 11 1 1 A 50 50 GLU HA H 50 4.298 4.628 -0.330 1 1 611 . 11 1 1 A 50 50 GLU C C 50 175.090 175.930 -0.840 1 1 612 . 11 1 1 A 50 50 GLU CA C 50 56.950 56.210 0.740 1 1 613 . 11 1 1 A 50 50 GLU CB C 50 29.872 30.274 -0.402 1 1 615 . 11 1 1 A 50 50 GLU N N 50 127.100 124.788 2.312 1 1 616 . 11 1 1 A 51 51 LEU H H 51 8.934 8.965 -0.031 1 1 617 . 11 1 1 A 51 51 LEU HA H 51 4.517 5.206 -0.689 1 1 627 . 11 1 1 A 51 51 LEU C C 51 174.890 175.734 -0.844 1 1 628 . 11 1 1 A 51 51 LEU CA C 51 53.817 53.375 0.442 1 1 629 . 11 1 1 A 51 51 LEU CB C 51 45.254 45.691 -0.437 1 1 633 . 11 1 1 A 51 51 LEU N N 51 127.790 126.954 0.836 1 1 634 . 11 1 1 A 52 52 GLU H H 52 8.360 8.863 -0.503 1 1 635 . 11 1 1 A 52 52 GLU HA H 52 5.417 5.273 0.144 1 1 640 . 11 1 1 A 52 52 GLU C C 52 174.890 174.750 0.140 1 1 641 . 11 1 1 A 52 52 GLU CA C 52 54.519 55.956 -1.437 1 1 642 . 11 1 1 A 52 52 GLU CB C 52 32.500 33.050 -0.550 1 1 644 . 11 1 1 A 52 52 GLU N N 52 121.180 123.130 -1.950 1 1 645 . 11 1 1 A 53 53 PHE H H 53 8.465 8.283 0.182 1 1 646 . 11 1 1 A 53 53 PHE HA H 53 5.130 5.358 -0.228 1 1 654 . 11 1 1 A 53 53 PHE C C 53 172.660 173.119 -0.459 1 1 655 . 11 1 1 A 53 53 PHE CA C 53 56.508 56.061 0.447 1 1 656 . 11 1 1 A 53 53 PHE CB C 53 40.095 42.217 -2.122 1 1 662 . 11 1 1 A 53 53 PHE N N 53 118.940 120.957 -2.017 1 1 663 . 11 1 1 A 54 54 THR H H 54 8.622 8.906 -0.284 1 1 664 . 11 1 1 A 54 54 THR HA H 54 5.530 5.395 0.135 1 1 669 . 11 1 1 A 54 54 THR C C 54 173.470 174.166 -0.696 1 1 670 . 11 1 1 A 54 54 THR CA C 54 60.148 60.634 -0.486 1 1 671 . 11 1 1 A 54 54 THR CB C 54 71.820 70.180 1.640 1 1 673 . 11 1 1 A 54 54 THR N N 54 112.280 113.439 -1.159 1 1 674 . 11 1 1 A 55 55 ALA H H 55 9.710 8.857 0.853 1 1 675 . 11 1 1 A 55 55 ALA HA H 55 5.354 5.023 0.331 1 1 679 . 11 1 1 A 55 55 ALA C C 55 176.720 178.753 -2.033 1 1 680 . 11 1 1 A 55 55 ALA CA C 55 50.568 50.802 -0.234 1 1 681 . 11 1 1 A 55 55 ALA CB C 55 24.180 20.582 3.598 1 1 682 . 11 1 1 A 55 55 ALA N N 55 126.340 129.391 -3.051 1 1 683 . 11 1 1 A 56 56 GLN H H 56 9.130 8.949 0.181 1 1 684 . 11 1 1 A 56 56 GLN HA H 56 5.030 4.285 0.745 1 1 691 . 11 1 1 A 56 56 GLN C C 56 174.960 175.679 -0.719 1 1 692 . 11 1 1 A 56 56 GLN CA C 56 56.820 57.542 -0.722 1 1 693 . 11 1 1 A 56 56 GLN CB C 56 29.180 28.659 0.521 1 1 695 . 11 1 1 A 56 56 GLN N N 56 118.540 120.061 -1.521 1 1 697 . 11 1 1 A 57 57 LYS H H 57 7.656 7.798 -0.142 1 1 698 . 11 1 1 A 57 57 LYS HA H 57 4.360 5.028 -0.668 1 1 707 . 11 1 1 A 57 57 LYS C C 57 172.490 174.959 -2.469 1 1 708 . 11 1 1 A 57 57 LYS CA C 57 54.351 55.142 -0.791 1 1 709 . 11 1 1 A 57 57 LYS CB C 57 35.360 36.222 -0.862 1 1 713 . 11 1 1 A 57 57 LYS N N 57 116.270 119.715 -3.445 1 1 714 . 11 1 1 A 58 58 ASN H H 58 7.709 8.656 -0.947 1 1 715 . 11 1 1 A 58 58 ASN HA H 58 4.000 4.944 -0.944 1 1 720 . 11 1 1 A 58 58 ASN C C 58 175.490 175.251 0.239 1 1 721 . 11 1 1 A 58 58 ASN CA C 58 53.498 52.697 0.801 1 1 722 . 11 1 1 A 58 58 ASN CB C 58 38.538 38.573 -0.035 1 1 723 . 11 1 1 A 58 58 ASN N N 58 117.960 125.044 -7.084 1 1 725 . 11 1 1 A 59 59 LEU H H 59 7.940 8.826 -0.886 1 1 726 . 11 1 1 A 59 59 LEU HA H 59 3.950 4.321 -0.371 1 1 736 . 11 1 1 A 59 59 LEU C C 59 176.410 177.396 -0.986 1 1 737 . 11 1 1 A 59 59 LEU CA C 59 54.550 54.873 -0.323 1 1 738 . 11 1 1 A 59 59 LEU CB C 59 42.370 42.048 0.322 1 1 742 . 11 1 1 A 59 59 LEU N N 59 128.190 127.319 0.871 1 1 743 . 11 1 1 A 60 60 ARG H H 60 8.355 8.557 -0.202 1 1 744 . 11 1 1 A 60 60 ARG HA H 60 3.870 4.427 -0.557 1 1 752 . 11 1 1 A 60 60 ARG C C 60 175.350 176.850 -1.500 1 1 753 . 11 1 1 A 60 60 ARG CA C 60 56.695 56.204 0.491 1 1 754 . 11 1 1 A 60 60 ARG CB C 60 31.290 30.923 0.367 1 1 757 . 11 1 1 A 60 60 ARG N N 60 123.759 121.226 2.533 1 1 759 . 11 1 1 A 61 61 LYS H H 61 8.178 8.645 -0.467 1 1 760 . 11 1 1 A 61 61 LYS HA H 61 3.680 4.294 -0.614 1 1 769 . 11 1 1 A 61 61 LYS C C 61 177.290 176.348 0.942 1 1 770 . 11 1 1 A 61 61 LYS CA C 61 58.733 56.256 2.477 1 1 771 . 11 1 1 A 61 61 LYS CB C 61 31.564 33.076 -1.512 1 1 775 . 11 1 1 A 61 61 LYS N N 61 125.600 123.194 2.406 1 1 776 . 11 1 1 A 62 62 GLU H H 62 8.949 8.976 -0.027 1 1 777 . 11 1 1 A 62 62 GLU HA H 62 3.340 3.942 -0.602 1 1 782 . 11 1 1 A 62 62 GLU C C 62 176.170 175.064 1.106 1 1 783 . 11 1 1 A 62 62 GLU CA C 62 59.156 57.811 1.345 1 1 784 . 11 1 1 A 62 62 GLU CB C 62 28.040 29.393 -1.353 1 1 786 . 11 1 1 A 62 62 GLU N N 62 112.860 119.994 -7.134 1 1 787 . 11 1 1 A 63 63 ALA H H 63 7.604 7.720 -0.116 1 1 788 . 11 1 1 A 63 63 ALA HA H 63 4.020 4.528 -0.508 1 1 792 . 11 1 1 A 63 63 ALA C C 63 175.530 177.306 -1.776 1 1 793 . 11 1 1 A 63 63 ALA CA C 63 53.074 51.691 1.383 1 1 794 . 11 1 1 A 63 63 ALA CB C 63 19.323 20.322 -0.999 1 1 795 . 11 1 1 A 63 63 ALA N N 63 122.700 123.171 -0.471 1 1 796 . 11 1 1 A 64 64 PHE H H 64 8.876 9.168 -0.292 1 1 797 . 11 1 1 A 64 64 PHE HA H 64 5.470 5.146 0.324 1 1 802 . 11 1 1 A 64 64 PHE C C 64 175.480 174.890 0.590 1 1 803 . 11 1 1 A 64 64 PHE CA C 64 56.780 57.493 -0.713 1 1 804 . 11 1 1 A 64 64 PHE CB C 64 41.566 39.117 2.449 1 1 807 . 11 1 1 A 64 64 PHE N N 64 118.670 120.778 -2.108 1 1 808 . 11 1 1 A 65 65 LEU H H 65 8.870 9.434 -0.564 1 1 809 . 11 1 1 A 65 65 LEU HA H 65 5.390 5.071 0.319 1 1 819 . 11 1 1 A 65 65 LEU C C 65 176.030 175.032 0.998 1 1 820 . 11 1 1 A 65 65 LEU CA C 65 52.926 54.253 -1.327 1 1 821 . 11 1 1 A 65 65 LEU CB C 65 45.561 42.964 2.597 1 1 825 . 11 1 1 A 65 65 LEU N N 65 118.700 126.792 -8.092 1 1 826 . 11 1 1 A 66 66 ARG H H 66 9.031 9.292 -0.261 1 1 827 . 11 1 1 A 66 66 ARG HA H 66 4.345 4.681 -0.336 1 1 835 . 11 1 1 A 66 66 ARG C C 66 174.220 176.110 -1.890 1 1 836 . 11 1 1 A 66 66 ARG CA C 66 54.957 55.968 -1.011 1 1 837 . 11 1 1 A 66 66 ARG CB C 66 32.885 30.364 2.521 1 1 840 . 11 1 1 A 66 66 ARG N N 66 121.590 126.976 -5.386 1 1 842 . 11 1 1 A 67 67 VAL H H 67 9.359 8.505 0.854 1 1 843 . 11 1 1 A 67 67 VAL HA H 67 4.400 4.665 -0.265 1 1 851 . 11 1 1 A 67 67 VAL C C 67 174.070 174.259 -0.189 1 1 852 . 11 1 1 A 67 67 VAL CA C 67 60.910 61.612 -0.702 1 1 853 . 11 1 1 A 67 67 VAL CB C 67 33.960 32.999 0.961 1 1 856 . 11 1 1 A 67 67 VAL N N 67 126.230 119.921 6.309 1 1 857 . 11 1 1 A 68 68 TYR H H 68 8.710 8.953 -0.243 1 1 858 . 11 1 1 A 68 68 TYR HA H 68 5.070 4.977 0.093 1 1 865 . 11 1 1 A 68 68 TYR C C 68 175.390 174.182 1.208 1 1 866 . 11 1 1 A 68 68 TYR CA C 68 57.290 57.060 0.230 1 1 867 . 11 1 1 A 68 68 TYR CB C 68 38.690 40.034 -1.344 1 1 872 . 11 1 1 A 68 68 TYR N N 68 125.200 126.996 -1.796 1 1 873 . 11 1 1 A 69 69 HIS H H 69 9.224 8.787 0.437 1 1 874 . 11 1 1 A 69 69 HIS HA H 69 5.200 5.822 -0.622 1 1 879 . 11 1 1 A 69 69 HIS C C 69 173.600 173.270 0.330 1 1 880 . 11 1 1 A 69 69 HIS CA C 69 56.502 54.298 2.204 1 1 881 . 11 1 1 A 69 69 HIS CB C 69 35.873 33.176 2.697 1 1 884 . 11 1 1 A 69 69 HIS N N 69 124.780 129.299 -4.519 1 1 885 . 11 1 1 A 70 70 SER H H 70 7.425 8.367 -0.942 1 1 886 . 11 1 1 A 70 70 SER HA H 70 4.800 4.639 0.161 1 1 889 . 11 1 1 A 70 70 SER C C 70 173.790 173.576 0.214 1 1 890 . 11 1 1 A 70 70 SER CA C 70 56.840 57.130 -0.290 1 1 891 . 11 1 1 A 70 70 SER CB C 70 66.500 67.042 -0.542 1 1 892 . 11 1 1 A 70 70 SER N N 70 118.910 121.472 -2.562 1 1 893 . 11 1 1 A 71 71 ASP H H 71 9.020 8.972 0.048 1 1 894 . 11 1 1 A 71 71 ASP HA H 71 4.390 4.286 0.104 1 1 897 . 11 1 1 A 71 71 ASP C C 71 178.030 177.889 0.141 1 1 898 . 11 1 1 A 71 71 ASP CA C 71 57.220 57.980 -0.760 1 1 899 . 11 1 1 A 71 71 ASP CB C 71 40.622 40.554 0.068 1 1 900 . 11 1 1 A 71 71 ASP N N 71 123.340 124.571 -1.231 1 1 901 . 11 1 1 A 72 72 LYS H H 72 8.220 8.170 0.050 1 1 902 . 11 1 1 A 72 72 LYS HA H 72 4.123 4.157 -0.034 1 1 911 . 11 1 1 A 72 72 LYS C C 72 177.560 176.780 0.780 1 1 912 . 11 1 1 A 72 72 LYS CA C 72 58.383 57.094 1.289 1 1 913 . 11 1 1 A 72 72 LYS CB C 72 32.778 32.062 0.716 1 1 917 . 11 1 1 A 72 72 LYS N N 72 116.640 116.557 0.083 1 1 918 . 11 1 1 A 73 73 LYS H H 73 7.367 7.605 -0.238 1 1 919 . 11 1 1 A 73 73 LYS HA H 73 4.449 4.572 -0.123 1 1 928 . 11 1 1 A 73 73 LYS C C 73 176.750 176.670 0.080 1 1 929 . 11 1 1 A 73 73 LYS CA C 73 55.614 55.815 -0.201 1 1 930 . 11 1 1 A 73 73 LYS CB C 73 33.910 35.036 -1.126 1 1 934 . 11 1 1 A 73 73 LYS N N 73 115.780 119.296 -3.516 1 1 935 . 11 1 1 A 74 74 GLY H H 74 8.240 8.193 0.047 1 1 936 . 11 1 1 A 74 74 GLY HA2 H 74 3.630 3.730 -0.100 1 1 937 . 11 1 1 A 74 74 GLY HA3 H 74 4.240 3.889 0.351 1 1 938 . 11 1 1 A 74 74 GLY C C 74 174.817 173.723 1.094 1 1 939 . 11 1 1 A 74 74 GLY CA C 74 45.075 47.395 -2.320 1 1 940 . 11 1 1 A 74 74 GLY N N 74 110.370 108.334 2.036 1 1 941 . 11 1 1 A 75 75 VAL H H 75 9.140 8.060 1.080 1 1 942 . 11 1 1 A 75 75 VAL HA H 75 4.640 5.001 -0.361 1 1 950 . 11 1 1 A 75 75 VAL C C 75 177.000 175.199 1.801 1 1 951 . 11 1 1 A 75 75 VAL CA C 75 63.550 60.704 2.846 1 1 952 . 11 1 1 A 75 75 VAL CB C 75 32.237 34.917 -2.680 1 1 955 . 11 1 1 A 75 75 VAL N N 75 124.300 121.652 2.648 1 1 956 . 11 1 1 A 76 76 SER H H 76 9.020 8.913 0.107 1 1 957 . 11 1 1 A 76 76 SER HA H 76 4.640 4.666 -0.026 1 1 960 . 11 1 1 A 76 76 SER C C 76 174.250 173.260 0.990 1 1 961 . 11 1 1 A 76 76 SER CA C 76 58.440 59.394 -0.954 1 1 962 . 11 1 1 A 76 76 SER CB C 76 64.550 66.372 -1.822 1 1 963 . 11 1 1 A 76 76 SER N N 76 122.490 121.445 1.045 1 1 964 . 11 1 1 A 77 77 ALA H H 77 7.890 7.738 0.152 1 1 965 . 11 1 1 A 77 77 ALA HA H 77 4.420 4.441 -0.021 1 1 969 . 11 1 1 A 77 77 ALA C C 77 174.430 175.363 -0.933 1 1 970 . 11 1 1 A 77 77 ALA CA C 77 51.940 51.187 0.753 1 1 971 . 11 1 1 A 77 77 ALA CB C 77 22.234 22.432 -0.198 1 1 972 . 11 1 1 A 77 77 ALA N N 77 122.930 120.140 2.790 1 1 973 . 11 1 1 A 78 78 TRP H H 78 7.776 8.319 -0.543 1 1 974 . 11 1 1 A 78 78 TRP HA H 78 5.690 5.447 0.243 1 1 982 . 11 1 1 A 78 78 TRP C C 78 174.450 173.463 0.987 1 1 983 . 11 1 1 A 78 78 TRP CA C 78 55.899 55.822 0.077 1 1 984 . 11 1 1 A 78 78 TRP CB C 78 32.602 31.893 0.709 1 1 989 . 11 1 1 A 78 78 TRP N N 78 114.705 116.431 -1.726 1 1 991 . 11 1 1 A 79 79 GLU H H 79 9.210 8.860 0.350 1 1 992 . 11 1 1 A 79 79 GLU HA H 79 4.730 5.203 -0.473 1 1 997 . 11 1 1 A 79 79 GLU C C 79 174.130 175.243 -1.113 1 1 998 . 11 1 1 A 79 79 GLU CA C 79 54.939 54.961 -0.022 1 1 999 . 11 1 1 A 79 79 GLU CB C 79 31.656 33.804 -2.148 1 1 1001 . 11 1 1 A 79 79 GLU N N 79 114.860 120.510 -5.650 1 1 1002 . 11 1 1 A 80 80 GLU H H 80 9.120 8.652 0.468 1 1 1003 . 11 1 1 A 80 80 GLU HA H 80 5.030 5.229 -0.199 1 1 1008 . 11 1 1 A 80 80 GLU C C 80 176.580 175.747 0.833 1 1 1009 . 11 1 1 A 80 80 GLU CA C 80 57.193 55.142 2.051 1 1 1010 . 11 1 1 A 80 80 GLU CB C 80 29.856 31.818 -1.962 1 1 1012 . 11 1 1 A 80 80 GLU N N 80 123.960 121.852 2.108 1 1 1013 . 11 1 1 A 81 81 VAL H H 81 8.694 9.395 -0.701 1 1 1014 . 11 1 1 A 81 81 VAL HA H 81 4.780 5.195 -0.415 1 1 1022 . 11 1 1 A 81 81 VAL C C 81 174.460 175.360 -0.900 1 1 1023 . 11 1 1 A 81 81 VAL CA C 81 58.927 59.311 -0.384 1 1 1024 . 11 1 1 A 81 81 VAL CB C 81 35.550 35.409 0.141 1 1 1027 . 11 1 1 A 81 81 VAL N N 81 118.990 118.240 0.750 1 1 1028 . 11 1 1 A 82 82 LYS H H 82 8.708 8.667 0.041 1 1 1029 . 11 1 1 A 82 82 LYS HA H 82 4.580 4.871 -0.291 1 1 1038 . 11 1 1 A 82 82 LYS C C 82 178.380 177.703 0.677 1 1 1039 . 11 1 1 A 82 82 LYS CA C 82 55.212 54.701 0.511 1 1 1040 . 11 1 1 A 82 82 LYS CB C 82 33.689 34.752 -1.063 1 1 1044 . 11 1 1 A 82 82 LYS N N 82 120.850 121.176 -0.326 1 1 1045 . 11 1 1 A 83 83 LYS H H 83 8.870 9.030 -0.160 1 1 1046 . 11 1 1 A 83 83 LYS HA H 83 3.180 3.886 -0.706 1 1 1055 . 11 1 1 A 83 83 LYS C C 83 177.690 178.650 -0.960 1 1 1056 . 11 1 1 A 83 83 LYS CA C 83 59.370 58.813 0.557 1 1 1057 . 11 1 1 A 83 83 LYS CB C 83 32.209 32.084 0.125 1 1 1061 . 11 1 1 A 83 83 LYS N N 83 121.435 121.786 -0.351 1 1 1062 . 11 1 1 A 84 84 ASP H H 84 8.059 8.243 -0.184 1 1 1063 . 11 1 1 A 84 84 ASP HA H 84 4.220 4.439 -0.219 1 1 1066 . 11 1 1 A 84 84 ASP C C 84 177.100 177.772 -0.672 1 1 1067 . 11 1 1 A 84 84 ASP CA C 84 55.680 56.879 -1.199 1 1 1068 . 11 1 1 A 84 84 ASP CB C 84 40.392 41.152 -0.760 1 1 1069 . 11 1 1 A 84 84 ASP N N 84 112.520 120.324 -7.804 1 1 1070 . 11 1 1 A 85 85 GLU H H 85 7.686 7.690 -0.004 1 1 1071 . 11 1 1 A 85 85 GLU HA H 85 4.136 4.403 -0.267 1 1 1076 . 11 1 1 A 85 85 GLU C C 85 176.270 175.967 0.303 1 1 1077 . 11 1 1 A 85 85 GLU CA C 85 56.133 56.325 -0.192 1 1 1078 . 11 1 1 A 85 85 GLU CB C 85 30.479 30.208 0.271 1 1 1080 . 11 1 1 A 85 85 GLU N N 85 116.930 116.294 0.636 1 1 1081 . 11 1 1 A 86 86 LEU H H 86 7.017 7.326 -0.309 1 1 1082 . 11 1 1 A 86 86 LEU HA H 86 3.710 4.467 -0.757 1 1 1092 . 11 1 1 A 86 86 LEU CA C 86 52.600 51.182 1.418 1 1 1093 . 11 1 1 A 86 86 LEU CB C 86 42.120 43.453 -1.333 1 1 1097 . 11 1 1 A 86 86 LEU N N 86 119.530 121.204 -1.674 1 1 1098 . 11 1 1 A 87 87 PRO HA H 87 4.330 4.573 -0.243 1 1 1105 . 11 1 1 A 87 87 PRO C C 87 176.940 176.860 0.080 1 1 1106 . 11 1 1 A 87 87 PRO CA C 87 62.400 62.573 -0.173 1 1 1107 . 11 1 1 A 87 87 PRO CB C 87 32.537 32.806 -0.269 1 1 1110 . 11 1 1 A 88 88 ALA H H 88 8.943 8.585 0.358 1 1 1111 . 11 1 1 A 88 88 ALA HA H 88 3.780 3.972 -0.192 1 1 1115 . 11 1 1 A 88 88 ALA C C 88 180.520 179.757 0.763 1 1 1116 . 11 1 1 A 88 88 ALA CA C 88 56.911 55.183 1.728 1 1 1117 . 11 1 1 A 88 88 ALA CB C 88 18.502 18.707 -0.205 1 1 1118 . 11 1 1 A 88 88 ALA N N 88 128.160 125.784 2.376 1 1 1119 . 11 1 1 A 89 89 LYS H H 89 9.270 7.914 1.356 1 1 1120 . 11 1 1 A 89 89 LYS HA H 89 3.990 3.967 0.023 1 1 1129 . 11 1 1 A 89 89 LYS C C 89 179.070 178.801 0.269 1 1 1130 . 11 1 1 A 89 89 LYS CA C 89 58.648 59.080 -0.432 1 1 1131 . 11 1 1 A 89 89 LYS CB C 89 31.962 32.491 -0.529 1 1 1135 . 11 1 1 A 89 89 LYS N N 89 115.610 117.879 -2.269 1 1 1136 . 11 1 1 A 90 90 VAL H H 90 6.846 8.001 -1.155 1 1 1137 . 11 1 1 A 90 90 VAL HA H 90 3.230 3.779 -0.549 1 1 1145 . 11 1 1 A 90 90 VAL C C 90 177.100 177.910 -0.810 1 1 1146 . 11 1 1 A 90 90 VAL CA C 90 65.870 64.706 1.164 1 1 1147 . 11 1 1 A 90 90 VAL CB C 90 30.880 31.330 -0.450 1 1 1150 . 11 1 1 A 90 90 VAL N N 90 117.560 119.467 -1.907 1 1 1151 . 11 1 1 A 91 91 LYS H H 91 7.850 7.696 0.154 1 1 1152 . 11 1 1 A 91 91 LYS HA H 91 3.430 4.102 -0.672 1 1 1161 . 11 1 1 A 91 91 LYS C C 91 178.420 179.182 -0.762 1 1 1162 . 11 1 1 A 91 91 LYS CA C 91 61.028 58.379 2.649 1 1 1163 . 11 1 1 A 91 91 LYS CB C 91 32.387 31.845 0.542 1 1 1167 . 11 1 1 A 91 91 LYS N N 91 118.750 119.847 -1.097 1 1 1168 . 11 1 1 A 92 92 GLU H H 92 7.282 7.921 -0.639 1 1 1169 . 11 1 1 A 92 92 GLU HA H 92 3.990 4.181 -0.191 1 1 1174 . 11 1 1 A 92 92 GLU C C 92 179.380 177.356 2.024 1 1 1175 . 11 1 1 A 92 92 GLU CA C 92 59.030 58.285 0.745 1 1 1176 . 11 1 1 A 92 92 GLU CB C 92 29.841 29.543 0.298 1 1 1178 . 11 1 1 A 92 92 GLU N N 92 115.375 120.211 -4.836 1 1 1179 . 11 1 1 A 93 93 LYS H H 93 7.343 7.671 -0.328 1 1 1180 . 11 1 1 A 93 93 LYS HA H 93 3.800 4.416 -0.616 1 1 1189 . 11 1 1 A 93 93 LYS C C 93 178.310 176.329 1.981 1 1 1190 . 11 1 1 A 93 93 LYS CA C 93 56.970 56.561 0.409 1 1 1191 . 11 1 1 A 93 93 LYS CB C 93 30.740 34.242 -3.502 1 1 1195 . 11 1 1 A 93 93 LYS N N 93 118.370 118.102 0.268 1 1 1196 . 11 1 1 A 94 94 LEU H H 94 8.000 7.612 0.388 1 1 1197 . 11 1 1 A 94 94 LEU HA H 94 4.360 4.403 -0.043 1 1 1207 . 11 1 1 A 94 94 LEU C C 94 177.350 177.509 -0.159 1 1 1208 . 11 1 1 A 94 94 LEU CA C 94 54.765 54.708 0.057 1 1 1209 . 11 1 1 A 94 94 LEU CB C 94 42.796 42.046 0.750 1 1 1213 . 11 1 1 A 94 94 LEU N N 94 115.600 120.193 -4.593 1 1 1214 . 11 1 1 A 95 95 GLY H H 95 7.601 9.090 -1.489 1 1 1215 . 11 1 1 A 95 95 GLY HA2 H 95 3.830 3.873 -0.043 1 1 1216 . 11 1 1 A 95 95 GLY HA3 H 95 3.950 3.880 0.070 1 1 1217 . 11 1 1 A 95 95 GLY C C 95 174.790 174.715 0.075 1 1 1218 . 11 1 1 A 95 95 GLY CA C 95 46.550 46.850 -0.300 1 1 1219 . 11 1 1 A 95 95 GLY N N 95 108.540 112.769 -4.229 1 1 1220 . 11 1 1 A 96 96 VAL H H 96 7.957 7.800 0.157 1 1 1221 . 11 1 1 A 96 96 VAL HA H 96 3.940 4.548 -0.608 1 1 1229 . 11 1 1 A 96 96 VAL C C 96 175.540 175.315 0.225 1 1 1230 . 11 1 1 A 96 96 VAL CA C 96 62.314 61.389 0.925 1 1 1231 . 11 1 1 A 96 96 VAL CB C 96 32.155 33.938 -1.783 1 1 1234 . 11 1 1 A 96 96 VAL N N 96 119.490 119.593 -0.103 1 1 1235 . 11 1 1 A 97 97 LYS H H 97 8.293 8.713 -0.420 1 1 1236 . 11 1 1 A 97 97 LYS HA H 97 4.210 4.510 -0.300 1 1 1245 . 11 1 1 A 97 97 LYS C C 97 176.290 175.820 0.470 1 1 1246 . 11 1 1 A 97 97 LYS CA C 97 56.174 57.297 -1.123 1 1 1247 . 11 1 1 A 97 97 LYS CB C 97 33.200 35.659 -2.459 1 1 1251 . 11 1 1 A 97 97 LYS N N 97 126.120 126.844 -0.724 1 1 1252 . 11 1 1 A 98 98 LEU H H 98 8.315 7.776 0.539 1 1 1253 . 11 1 1 A 98 98 LEU HA H 98 4.240 4.386 -0.146 1 1 1263 . 11 1 1 A 98 98 LEU C C 98 176.930 177.048 -0.118 1 1 1264 . 11 1 1 A 98 98 LEU CA C 98 54.800 54.774 0.026 1 1 1265 . 11 1 1 A 98 98 LEU CB C 98 42.217 40.476 1.741 1 1 1269 . 11 1 1 A 98 98 LEU N N 98 124.170 120.377 3.793 1 1 1270 . 11 1 1 A 99 99 GLU H H 99 8.375 8.661 -0.286 1 1 1271 . 11 1 1 A 99 99 GLU HA H 99 4.175 3.963 0.212 1 1 1276 . 11 1 1 A 99 99 GLU C C 99 176.035 176.263 -0.228 1 1 1277 . 11 1 1 A 99 99 GLU CA C 99 56.352 59.631 -3.279 1 1 1278 . 11 1 1 A 99 99 GLU CB C 99 30.460 30.204 0.256 1 1 1280 . 11 1 1 A 99 99 GLU N N 99 122.010 127.019 -5.009 1 1 1281 . 11 1 1 A 100 100 HIS H H 100 8.350 7.841 0.509 1 1 1282 . 11 1 1 A 100 100 HIS HA H 100 4.565 4.366 0.199 1 1 1285 . 11 1 1 A 100 100 HIS C C 100 173.880 173.349 0.531 1 1 1286 . 11 1 1 A 100 100 HIS CA C 100 56.050 58.137 -2.087 1 1 1287 . 11 1 1 A 100 100 HIS CB C 100 30.144 28.370 1.774 1 1 1288 . 11 1 1 A 100 100 HIS N N 100 120.245 117.321 2.924 1 1 1289 . 11 1 1 A 101 101 HIS H H 101 8.134 8.630 -0.496 1 1 1290 . 11 1 1 A 101 101 HIS HA H 101 4.410 5.058 -0.648 1 1 1293 . 11 1 1 A 101 101 HIS CA C 101 57.290 53.985 3.305 1 1 1294 . 11 1 1 A 101 101 HIS CB C 101 31.450 32.805 -1.355 1 1 1 . 12 1 1 A 2 2 ASP HA H 2 4.670 4.892 -0.222 1 1 4 . 12 1 1 A 2 2 ASP C C 2 176.480 177.091 -0.611 1 1 5 . 12 1 1 A 2 2 ASP CA C 2 53.400 53.940 -0.540 1 1 6 . 12 1 1 A 2 2 ASP CB C 2 41.170 41.749 -0.579 1 1 7 . 12 1 1 A 3 3 LEU H H 3 8.650 8.522 0.128 1 1 8 . 12 1 1 A 3 3 LEU HA H 3 4.116 4.563 -0.447 1 1 18 . 12 1 1 A 3 3 LEU C C 3 177.880 176.793 1.087 1 1 19 . 12 1 1 A 3 3 LEU CA C 3 56.390 55.097 1.293 1 1 20 . 12 1 1 A 3 3 LEU CB C 3 41.660 42.063 -0.403 1 1 24 . 12 1 1 A 3 3 LEU N N 3 125.300 121.156 4.144 1 1 25 . 12 1 1 A 4 4 ASN H H 4 8.370 8.050 0.320 1 1 26 . 12 1 1 A 4 4 ASN HA H 4 4.490 4.828 -0.338 1 1 31 . 12 1 1 A 4 4 ASN C C 4 175.050 175.268 -0.218 1 1 32 . 12 1 1 A 4 4 ASN CA C 4 54.320 54.709 -0.389 1 1 33 . 12 1 1 A 4 4 ASN CB C 4 38.240 39.295 -1.055 1 1 34 . 12 1 1 A 4 4 ASN N N 4 116.550 115.561 0.989 1 1 36 . 12 1 1 A 5 5 ARG H H 5 7.645 7.725 -0.080 1 1 37 . 12 1 1 A 5 5 ARG HA H 5 3.920 4.425 -0.505 1 1 45 . 12 1 1 A 5 5 ARG C C 5 176.030 174.788 1.242 1 1 46 . 12 1 1 A 5 5 ARG CA C 5 56.180 54.840 1.340 1 1 47 . 12 1 1 A 5 5 ARG CB C 5 31.570 28.886 2.684 1 1 50 . 12 1 1 A 5 5 ARG N N 5 118.590 118.040 0.550 1 1 52 . 12 1 1 A 6 6 MET H H 6 7.809 8.107 -0.298 1 1 53 . 12 1 1 A 6 6 MET HA H 6 4.355 4.923 -0.568 1 1 58 . 12 1 1 A 6 6 MET C C 6 176.940 176.601 0.339 1 1 59 . 12 1 1 A 6 6 MET CA C 6 56.290 53.794 2.496 1 1 60 . 12 1 1 A 6 6 MET CB C 6 33.020 35.127 -2.107 1 1 62 . 12 1 1 A 6 6 MET N N 6 120.180 121.599 -1.419 1 1 63 . 12 1 1 A 7 7 GLY H H 7 8.906 8.660 0.246 1 1 64 . 12 1 1 A 7 7 GLY HA2 H 7 3.870 3.982 -0.112 1 1 65 . 12 1 1 A 7 7 GLY HA3 H 7 3.950 3.983 -0.033 1 1 66 . 12 1 1 A 7 7 GLY C C 7 174.280 173.881 0.399 1 1 67 . 12 1 1 A 7 7 GLY CA C 7 46.110 46.178 -0.068 1 1 68 . 12 1 1 A 7 7 GLY N N 7 112.660 108.645 4.015 1 1 69 . 12 1 1 A 8 8 LYS H H 8 7.819 8.763 -0.944 1 1 70 . 12 1 1 A 8 8 LYS HA H 8 4.550 4.161 0.389 1 1 79 . 12 1 1 A 8 8 LYS C C 8 176.060 174.305 1.755 1 1 80 . 12 1 1 A 8 8 LYS CA C 8 54.444 58.447 -4.003 1 1 81 . 12 1 1 A 8 8 LYS CB C 8 33.760 31.222 2.538 1 1 85 . 12 1 1 A 8 8 LYS N N 8 119.130 120.481 -1.351 1 1 86 . 12 1 1 A 9 9 ASP H H 9 8.790 8.685 0.105 1 1 87 . 12 1 1 A 9 9 ASP HA H 9 4.730 5.377 -0.647 1 1 90 . 12 1 1 A 9 9 ASP C C 9 174.530 174.970 -0.440 1 1 91 . 12 1 1 A 9 9 ASP CA C 9 54.560 52.706 1.854 1 1 92 . 12 1 1 A 9 9 ASP CB C 9 42.530 43.097 -0.567 1 1 93 . 12 1 1 A 9 9 ASP N N 9 121.550 120.394 1.156 1 1 94 . 12 1 1 A 10 10 GLU H H 10 7.950 8.913 -0.963 1 1 95 . 12 1 1 A 10 10 GLU HA H 10 4.570 5.001 -0.431 1 1 100 . 12 1 1 A 10 10 GLU C C 10 174.080 174.944 -0.864 1 1 101 . 12 1 1 A 10 10 GLU CA C 10 54.640 55.300 -0.660 1 1 102 . 12 1 1 A 10 10 GLU CB C 10 31.380 30.585 0.795 1 1 104 . 12 1 1 A 10 10 GLU N N 10 119.640 124.343 -4.703 1 1 105 . 12 1 1 A 11 11 TYR H H 11 8.767 9.416 -0.649 1 1 106 . 12 1 1 A 11 11 TYR HA H 11 4.555 5.221 -0.666 1 1 113 . 12 1 1 A 11 11 TYR C C 11 173.480 174.855 -1.375 1 1 114 . 12 1 1 A 11 11 TYR CA C 11 56.360 56.651 -0.291 1 1 115 . 12 1 1 A 11 11 TYR CB C 11 43.860 39.883 3.977 1 1 120 . 12 1 1 A 11 11 TYR N N 11 120.960 123.972 -3.012 1 1 121 . 12 1 1 A 12 12 TYR H H 12 9.290 9.361 -0.071 1 1 122 . 12 1 1 A 12 12 TYR HA H 12 5.730 5.075 0.655 1 1 129 . 12 1 1 A 12 12 TYR C C 12 175.700 176.055 -0.355 1 1 130 . 12 1 1 A 12 12 TYR CA C 12 56.680 57.647 -0.967 1 1 131 . 12 1 1 A 12 12 TYR CB C 12 42.180 38.094 4.086 1 1 136 . 12 1 1 A 12 12 TYR N N 12 118.880 124.520 -5.640 1 1 137 . 12 1 1 A 13 13 VAL H H 13 8.670 8.847 -0.177 1 1 138 . 12 1 1 A 13 13 VAL HA H 13 5.050 5.182 -0.132 1 1 146 . 12 1 1 A 13 13 VAL C C 13 174.820 174.896 -0.076 1 1 147 . 12 1 1 A 13 13 VAL CA C 13 58.130 59.236 -1.106 1 1 148 . 12 1 1 A 13 13 VAL CB C 13 35.890 35.704 0.186 1 1 151 . 12 1 1 A 13 13 VAL N N 13 112.280 118.431 -6.151 1 1 152 . 12 1 1 A 14 14 GLN H H 14 8.760 8.466 0.294 1 1 153 . 12 1 1 A 14 14 GLN HA H 14 5.090 4.874 0.216 1 1 160 . 12 1 1 A 14 14 GLN C C 14 175.000 175.703 -0.703 1 1 161 . 12 1 1 A 14 14 GLN CA C 14 53.520 54.826 -1.306 1 1 162 . 12 1 1 A 14 14 GLN CB C 14 31.250 29.708 1.542 1 1 164 . 12 1 1 A 14 14 GLN N N 14 120.910 120.800 0.110 1 1 166 . 12 1 1 A 15 15 ILE H H 15 8.843 8.893 -0.050 1 1 167 . 12 1 1 A 15 15 ILE HA H 15 3.900 4.192 -0.292 1 1 177 . 12 1 1 A 15 15 ILE C C 15 177.090 176.803 0.287 1 1 178 . 12 1 1 A 15 15 ILE CA C 15 59.269 61.335 -2.066 1 1 179 . 12 1 1 A 15 15 ILE CB C 15 34.050 36.764 -2.714 1 1 183 . 12 1 1 A 15 15 ILE N N 15 125.520 124.099 1.421 1 1 184 . 12 1 1 A 16 16 THR H H 16 7.996 8.999 -1.003 1 1 185 . 12 1 1 A 16 16 THR HA H 16 4.540 4.420 0.120 1 1 190 . 12 1 1 A 16 16 THR C C 16 173.650 174.640 -0.990 1 1 191 . 12 1 1 A 16 16 THR CA C 16 61.180 62.510 -1.330 1 1 192 . 12 1 1 A 16 16 THR CB C 16 69.300 69.421 -0.121 1 1 194 . 12 1 1 A 16 16 THR N N 16 118.080 119.409 -1.329 1 1 195 . 12 1 1 A 17 17 VAL H H 17 7.240 7.645 -0.405 1 1 196 . 12 1 1 A 17 17 VAL HA H 17 4.659 4.277 0.382 1 1 204 . 12 1 1 A 17 17 VAL C C 17 175.135 175.086 0.049 1 1 205 . 12 1 1 A 17 17 VAL CA C 17 58.870 60.852 -1.982 1 1 206 . 12 1 1 A 17 17 VAL CB C 17 36.070 33.142 2.928 1 1 209 . 12 1 1 A 17 17 VAL N N 17 113.230 119.177 -5.947 1 1 210 . 12 1 1 A 18 18 ASP H H 18 8.280 8.538 -0.258 1 1 211 . 12 1 1 A 18 18 ASP HA H 18 5.010 4.747 0.263 1 1 214 . 12 1 1 A 18 18 ASP C C 18 177.350 175.253 2.097 1 1 215 . 12 1 1 A 18 18 ASP CA C 18 54.765 51.875 2.890 1 1 216 . 12 1 1 A 18 18 ASP CB C 18 42.120 43.853 -1.733 1 1 217 . 12 1 1 A 18 18 ASP N N 18 120.730 124.016 -3.286 1 1 218 . 12 1 1 A 19 19 GLY H H 19 8.951 8.264 0.687 1 1 219 . 12 1 1 A 19 19 GLY HA2 H 19 2.920 3.534 -0.614 1 1 220 . 12 1 1 A 19 19 GLY HA3 H 19 2.978 3.725 -0.747 1 1 221 . 12 1 1 A 19 19 GLY C C 19 172.450 174.529 -2.079 1 1 222 . 12 1 1 A 19 19 GLY CA C 19 45.370 45.579 -0.209 1 1 223 . 12 1 1 A 19 19 GLY N N 19 110.580 108.918 1.662 1 1 224 . 12 1 1 A 20 20 LYS H H 20 8.110 7.620 0.490 1 1 225 . 12 1 1 A 20 20 LYS HA H 20 4.374 4.204 0.170 1 1 234 . 12 1 1 A 20 20 LYS C C 20 175.710 175.562 0.148 1 1 235 . 12 1 1 A 20 20 LYS CA C 20 54.800 55.380 -0.580 1 1 236 . 12 1 1 A 20 20 LYS CB C 20 33.240 31.193 2.047 1 1 240 . 12 1 1 A 20 20 LYS N N 20 124.290 120.735 3.555 1 1 241 . 12 1 1 A 21 21 GLU H H 21 8.710 8.370 0.340 1 1 242 . 12 1 1 A 21 21 GLU HA H 21 3.930 4.548 -0.618 1 1 247 . 12 1 1 A 21 21 GLU C C 21 175.960 176.955 -0.995 1 1 248 . 12 1 1 A 21 21 GLU CA C 21 56.940 56.260 0.680 1 1 249 . 12 1 1 A 21 21 GLU CB C 21 30.439 30.122 0.317 1 1 251 . 12 1 1 A 21 21 GLU N N 21 128.720 124.623 4.097 1 1 252 . 12 1 1 A 22 22 VAL H H 22 8.621 8.052 0.569 1 1 253 . 12 1 1 A 22 22 VAL HA H 22 4.160 4.192 -0.032 1 1 261 . 12 1 1 A 22 22 VAL C C 22 175.210 176.322 -1.112 1 1 262 . 12 1 1 A 22 22 VAL CA C 22 61.027 60.958 0.069 1 1 263 . 12 1 1 A 22 22 VAL CB C 22 34.501 31.145 3.356 1 1 266 . 12 1 1 A 22 22 VAL N N 22 125.340 121.513 3.827 1 1 267 . 12 1 1 A 23 23 HIS H H 23 8.607 7.423 1.184 1 1 268 . 12 1 1 A 23 23 HIS HA H 23 4.820 3.933 0.887 1 1 273 . 12 1 1 A 23 23 HIS C C 23 175.040 175.940 -0.900 1 1 274 . 12 1 1 A 23 23 HIS CA C 23 55.498 55.022 0.476 1 1 275 . 12 1 1 A 23 23 HIS CB C 23 30.660 29.582 1.078 1 1 278 . 12 1 1 A 23 23 HIS N N 23 124.000 120.324 3.676 1 1 279 . 12 1 1 A 24 24 SER H H 24 8.480 8.033 0.447 1 1 280 . 12 1 1 A 24 24 SER HA H 24 4.480 3.975 0.505 1 1 283 . 12 1 1 A 24 24 SER C C 24 173.860 175.627 -1.767 1 1 284 . 12 1 1 A 24 24 SER CA C 24 57.690 61.266 -3.576 1 1 285 . 12 1 1 A 24 24 SER CB C 24 64.580 63.004 1.576 1 1 286 . 12 1 1 A 24 24 SER N N 24 118.250 115.735 2.515 1 1 287 . 12 1 1 A 25 25 LYS H H 25 8.517 8.245 0.272 1 1 288 . 12 1 1 A 25 25 LYS HA H 25 4.561 4.521 0.040 1 1 297 . 12 1 1 A 25 25 LYS C C 25 176.160 177.640 -1.480 1 1 298 . 12 1 1 A 25 25 LYS CA C 25 56.255 55.743 0.512 1 1 299 . 12 1 1 A 25 25 LYS CB C 25 33.714 32.827 0.887 1 1 303 . 12 1 1 A 25 25 LYS N N 25 122.750 120.226 2.524 1 1 304 . 12 1 1 A 26 26 ALA H H 26 8.468 8.229 0.239 1 1 305 . 12 1 1 A 26 26 ALA HA H 26 4.470 4.557 -0.087 1 1 309 . 12 1 1 A 26 26 ALA C C 26 177.950 179.631 -1.681 1 1 310 . 12 1 1 A 26 26 ALA CA C 26 51.912 54.720 -2.808 1 1 311 . 12 1 1 A 26 26 ALA CB C 26 20.050 18.124 1.926 1 1 312 . 12 1 1 A 26 26 ALA N N 26 125.370 123.212 2.158 1 1 313 . 12 1 1 A 27 27 ASP H H 27 8.509 8.446 0.063 1 1 314 . 12 1 1 A 27 27 ASP HA H 27 4.460 4.345 0.115 1 1 317 . 12 1 1 A 27 27 ASP C C 27 176.480 177.702 -1.222 1 1 318 . 12 1 1 A 27 27 ASP CA C 27 55.490 56.895 -1.405 1 1 319 . 12 1 1 A 27 27 ASP CB C 27 40.771 40.455 0.316 1 1 320 . 12 1 1 A 27 27 ASP N N 27 120.380 119.354 1.026 1 1 321 . 12 1 1 A 28 28 ASN H H 28 8.193 7.432 0.761 1 1 322 . 12 1 1 A 28 28 ASN HA H 28 4.620 4.793 -0.173 1 1 327 . 12 1 1 A 28 28 ASN C C 28 176.310 175.159 1.151 1 1 328 . 12 1 1 A 28 28 ASN CA C 28 53.050 53.290 -0.240 1 1 329 . 12 1 1 A 28 28 ASN CB C 28 38.080 38.662 -0.582 1 1 330 . 12 1 1 A 28 28 ASN N N 28 117.470 115.550 1.920 1 1 332 . 12 1 1 A 29 29 GLY H H 29 8.359 7.902 0.457 1 1 333 . 12 1 1 A 29 29 GLY HA2 H 29 4.110 4.033 0.077 1 1 334 . 12 1 1 A 29 29 GLY HA3 H 29 3.720 4.041 -0.321 1 1 335 . 12 1 1 A 29 29 GLY C C 29 174.365 174.453 -0.088 1 1 336 . 12 1 1 A 29 29 GLY CA C 29 45.688 45.433 0.255 1 1 337 . 12 1 1 A 29 29 GLY N N 29 108.230 105.313 2.917 1 1 338 . 12 1 1 A 30 30 GLN H H 30 7.920 7.863 0.057 1 1 339 . 12 1 1 A 30 30 GLN HA H 30 4.200 4.614 -0.414 1 1 346 . 12 1 1 A 30 30 GLN C C 30 174.330 175.098 -0.768 1 1 347 . 12 1 1 A 30 30 GLN CA C 30 56.210 54.906 1.304 1 1 348 . 12 1 1 A 30 30 GLN CB C 30 29.320 29.508 -0.188 1 1 350 . 12 1 1 A 30 30 GLN N N 30 119.670 121.465 -1.795 1 1 352 . 12 1 1 A 31 31 LYS H H 31 8.390 8.864 -0.474 1 1 353 . 12 1 1 A 31 31 LYS HA H 31 4.490 4.479 0.011 1 1 362 . 12 1 1 A 31 31 LYS C C 31 176.052 175.365 0.687 1 1 363 . 12 1 1 A 31 31 LYS CA C 31 56.417 54.942 1.475 1 1 364 . 12 1 1 A 31 31 LYS CB C 31 33.414 31.286 2.128 1 1 368 . 12 1 1 A 31 31 LYS N N 31 121.950 128.274 -6.324 1 1 369 . 12 1 1 A 32 32 TYR H H 32 8.160 8.176 -0.016 1 1 370 . 12 1 1 A 32 32 TYR HA H 32 4.770 4.767 0.003 1 1 377 . 12 1 1 A 32 32 TYR C C 32 175.560 175.716 -0.156 1 1 378 . 12 1 1 A 32 32 TYR CA C 32 56.300 57.470 -1.170 1 1 379 . 12 1 1 A 32 32 TYR CB C 32 40.074 39.477 0.597 1 1 384 . 12 1 1 A 32 32 TYR N N 32 119.960 123.133 -3.173 1 1 385 . 12 1 1 A 33 33 LYS H H 33 8.397 8.766 -0.369 1 1 386 . 12 1 1 A 33 33 LYS HA H 33 4.610 4.581 0.029 1 1 395 . 12 1 1 A 33 33 LYS C C 33 174.080 174.772 -0.692 1 1 396 . 12 1 1 A 33 33 LYS CA C 33 55.512 54.937 0.575 1 1 397 . 12 1 1 A 33 33 LYS CB C 33 34.570 33.639 0.931 1 1 401 . 12 1 1 A 33 33 LYS N N 33 122.080 125.076 -2.996 1 1 402 . 12 1 1 A 34 34 ASP H H 34 8.140 9.031 -0.891 1 1 403 . 12 1 1 A 34 34 ASP HA H 34 5.040 5.207 -0.167 1 1 406 . 12 1 1 A 34 34 ASP C C 34 173.740 174.884 -1.144 1 1 407 . 12 1 1 A 34 34 ASP CA C 34 53.104 52.458 0.646 1 1 408 . 12 1 1 A 34 34 ASP CB C 34 44.290 43.651 0.639 1 1 409 . 12 1 1 A 34 34 ASP N N 34 121.430 124.414 -2.984 1 1 410 . 12 1 1 A 35 35 TYR H H 35 8.849 9.174 -0.325 1 1 411 . 12 1 1 A 35 35 TYR HA H 35 4.660 5.289 -0.629 1 1 418 . 12 1 1 A 35 35 TYR C C 35 174.450 175.284 -0.834 1 1 419 . 12 1 1 A 35 35 TYR CA C 35 57.177 57.579 -0.402 1 1 420 . 12 1 1 A 35 35 TYR CB C 35 40.955 39.134 1.821 1 1 425 . 12 1 1 A 35 35 TYR N N 35 116.670 123.131 -6.461 1 1 426 . 12 1 1 A 36 36 GLU H H 36 9.144 9.015 0.129 1 1 427 . 12 1 1 A 36 36 GLU HA H 36 4.615 4.545 0.070 1 1 432 . 12 1 1 A 36 36 GLU C C 36 175.850 174.589 1.261 1 1 433 . 12 1 1 A 36 36 GLU CA C 36 55.700 55.868 -0.168 1 1 434 . 12 1 1 A 36 36 GLU CB C 36 32.541 30.723 1.818 1 1 436 . 12 1 1 A 36 36 GLU N N 36 122.490 125.217 -2.727 1 1 437 . 12 1 1 A 37 37 TYR H H 37 8.598 8.937 -0.339 1 1 438 . 12 1 1 A 37 37 TYR HA H 37 4.090 4.881 -0.791 1 1 445 . 12 1 1 A 37 37 TYR C C 37 174.140 174.229 -0.089 1 1 446 . 12 1 1 A 37 37 TYR CA C 37 58.399 56.131 2.268 1 1 447 . 12 1 1 A 37 37 TYR CB C 37 41.690 39.421 2.269 1 1 452 . 12 1 1 A 37 37 TYR N N 37 122.480 125.990 -3.510 1 1 453 . 12 1 1 A 38 38 LYS H H 38 8.410 8.847 -0.437 1 1 454 . 12 1 1 A 38 38 LYS HA H 38 5.080 4.824 0.256 1 1 463 . 12 1 1 A 38 38 LYS C C 38 174.980 175.831 -0.851 1 1 464 . 12 1 1 A 38 38 LYS CA C 38 56.133 55.266 0.867 1 1 465 . 12 1 1 A 38 38 LYS CB C 38 33.525 33.715 -0.190 1 1 469 . 12 1 1 A 38 38 LYS N N 38 124.250 125.906 -1.656 1 1 470 . 12 1 1 A 39 39 LEU H H 39 8.555 8.777 -0.222 1 1 471 . 12 1 1 A 39 39 LEU HA H 39 4.865 4.886 -0.021 1 1 480 . 12 1 1 A 39 39 LEU C C 39 175.120 174.720 0.400 1 1 481 . 12 1 1 A 39 39 LEU CA C 39 53.316 53.636 -0.320 1 1 482 . 12 1 1 A 39 39 LEU CB C 39 47.338 45.551 1.787 1 1 485 . 12 1 1 A 39 39 LEU N N 39 124.840 121.855 2.985 1 1 486 . 12 1 1 A 40 40 THR H H 40 8.615 8.566 0.049 1 1 487 . 12 1 1 A 40 40 THR HA H 40 4.410 4.799 -0.389 1 1 492 . 12 1 1 A 40 40 THR C C 40 173.360 174.118 -0.758 1 1 493 . 12 1 1 A 40 40 THR CA C 40 63.200 60.371 2.829 1 1 494 . 12 1 1 A 40 40 THR CB C 40 69.100 70.584 -1.484 1 1 496 . 12 1 1 A 40 40 THR N N 40 118.390 114.602 3.788 1 1 497 . 12 1 1 A 41 41 GLY H H 41 8.545 8.955 -0.410 1 1 498 . 12 1 1 A 41 41 GLY HA2 H 41 3.030 3.658 -0.628 1 1 499 . 12 1 1 A 41 41 GLY HA3 H 41 4.910 4.093 0.817 1 1 500 . 12 1 1 A 41 41 GLY C C 41 171.375 172.096 -0.721 1 1 501 . 12 1 1 A 41 41 GLY CA C 41 43.963 44.930 -0.967 1 1 502 . 12 1 1 A 41 41 GLY N N 41 113.500 114.558 -1.058 1 1 503 . 12 1 1 A 42 42 PHE H H 42 8.650 9.260 -0.610 1 1 504 . 12 1 1 A 42 42 PHE HA H 42 5.910 5.661 0.249 1 1 512 . 12 1 1 A 42 42 PHE C C 42 176.670 174.806 1.864 1 1 513 . 12 1 1 A 42 42 PHE CA C 42 56.260 56.914 -0.654 1 1 514 . 12 1 1 A 42 42 PHE CB C 42 44.750 40.202 4.548 1 1 520 . 12 1 1 A 42 42 PHE N N 42 113.300 122.500 -9.200 1 1 521 . 12 1 1 A 43 43 ASP H H 43 9.040 9.084 -0.044 1 1 522 . 12 1 1 A 43 43 ASP HA H 43 5.100 4.867 0.233 1 1 525 . 12 1 1 A 43 43 ASP C C 43 177.790 176.968 0.822 1 1 526 . 12 1 1 A 43 43 ASP CA C 43 51.990 54.711 -2.721 1 1 527 . 12 1 1 A 43 43 ASP CB C 43 41.660 41.484 0.176 1 1 528 . 12 1 1 A 43 43 ASP N N 43 123.450 124.773 -1.323 1 1 529 . 12 1 1 A 44 44 LYS H H 44 8.689 9.257 -0.568 1 1 530 . 12 1 1 A 44 44 LYS HA H 44 3.920 4.022 -0.102 1 1 539 . 12 1 1 A 44 44 LYS C C 44 175.450 175.282 0.168 1 1 540 . 12 1 1 A 44 44 LYS CA C 44 58.730 57.528 1.202 1 1 541 . 12 1 1 A 44 44 LYS CB C 44 31.707 31.690 0.017 1 1 545 . 12 1 1 A 44 44 LYS N N 44 113.360 125.847 -12.487 1 1 546 . 12 1 1 A 45 45 ASP H H 45 8.178 8.585 -0.407 1 1 547 . 12 1 1 A 45 45 ASP HA H 45 4.930 4.424 0.506 1 1 550 . 12 1 1 A 45 45 ASP C C 45 176.710 176.374 0.336 1 1 551 . 12 1 1 A 45 45 ASP CA C 45 54.501 55.655 -1.154 1 1 552 . 12 1 1 A 45 45 ASP CB C 45 42.260 40.611 1.649 1 1 553 . 12 1 1 A 45 45 ASP N N 45 119.050 117.700 1.350 1 1 554 . 12 1 1 A 46 46 GLY H H 46 8.853 8.277 0.576 1 1 555 . 12 1 1 A 46 46 GLY HA2 H 46 4.120 4.149 -0.029 1 1 556 . 12 1 1 A 46 46 GLY HA3 H 46 3.350 4.166 -0.816 1 1 557 . 12 1 1 A 46 46 GLY C C 46 173.020 174.245 -1.225 1 1 558 . 12 1 1 A 46 46 GLY CA C 46 45.510 45.968 -0.458 1 1 559 . 12 1 1 A 46 46 GLY N N 46 110.250 107.396 2.854 1 1 560 . 12 1 1 A 47 47 LYS H H 47 8.640 7.962 0.678 1 1 561 . 12 1 1 A 47 47 LYS HA H 47 4.320 4.360 -0.040 1 1 570 . 12 1 1 A 47 47 LYS C C 47 176.180 176.318 -0.138 1 1 571 . 12 1 1 A 47 47 LYS CA C 47 57.200 56.532 0.668 1 1 572 . 12 1 1 A 47 47 LYS CB C 47 32.300 33.519 -1.219 1 1 576 . 12 1 1 A 47 47 LYS N N 47 123.450 120.083 3.367 1 1 577 . 12 1 1 A 48 48 GLU H H 48 8.510 8.500 0.010 1 1 578 . 12 1 1 A 48 48 GLU HA H 48 4.914 4.640 0.274 1 1 583 . 12 1 1 A 48 48 GLU C C 48 176.545 175.020 1.525 1 1 584 . 12 1 1 A 48 48 GLU CA C 48 55.540 55.630 -0.090 1 1 585 . 12 1 1 A 48 48 GLU CB C 48 32.850 30.877 1.973 1 1 587 . 12 1 1 A 48 48 GLU N N 48 123.300 122.834 0.466 1 1 588 . 12 1 1 A 49 49 LYS H H 49 8.304 8.369 -0.065 1 1 589 . 12 1 1 A 49 49 LYS HA H 49 4.080 4.677 -0.597 1 1 598 . 12 1 1 A 49 49 LYS C C 49 173.870 174.510 -0.640 1 1 599 . 12 1 1 A 49 49 LYS CA C 49 54.797 54.904 -0.107 1 1 600 . 12 1 1 A 49 49 LYS CB C 49 36.248 36.153 0.095 1 1 604 . 12 1 1 A 49 49 LYS N N 49 123.450 121.364 2.086 1 1 605 . 12 1 1 A 50 50 GLU H H 50 8.377 8.550 -0.173 1 1 606 . 12 1 1 A 50 50 GLU HA H 50 4.298 4.494 -0.196 1 1 611 . 12 1 1 A 50 50 GLU C C 50 175.090 175.766 -0.676 1 1 612 . 12 1 1 A 50 50 GLU CA C 50 56.950 56.695 0.255 1 1 613 . 12 1 1 A 50 50 GLU CB C 50 29.872 30.157 -0.285 1 1 615 . 12 1 1 A 50 50 GLU N N 50 127.100 126.441 0.659 1 1 616 . 12 1 1 A 51 51 LEU H H 51 8.934 9.113 -0.179 1 1 617 . 12 1 1 A 51 51 LEU HA H 51 4.517 4.988 -0.471 1 1 627 . 12 1 1 A 51 51 LEU C C 51 174.890 175.419 -0.529 1 1 628 . 12 1 1 A 51 51 LEU CA C 51 53.817 53.403 0.414 1 1 629 . 12 1 1 A 51 51 LEU CB C 51 45.254 43.081 2.173 1 1 633 . 12 1 1 A 51 51 LEU N N 51 127.790 127.254 0.536 1 1 634 . 12 1 1 A 52 52 GLU H H 52 8.360 9.154 -0.794 1 1 635 . 12 1 1 A 52 52 GLU HA H 52 5.417 5.478 -0.061 1 1 640 . 12 1 1 A 52 52 GLU C C 52 174.890 175.015 -0.125 1 1 641 . 12 1 1 A 52 52 GLU CA C 52 54.519 54.841 -0.322 1 1 642 . 12 1 1 A 52 52 GLU CB C 52 32.500 32.048 0.452 1 1 644 . 12 1 1 A 52 52 GLU N N 52 121.180 122.492 -1.312 1 1 645 . 12 1 1 A 53 53 PHE H H 53 8.465 8.250 0.215 1 1 646 . 12 1 1 A 53 53 PHE HA H 53 5.130 5.783 -0.653 1 1 654 . 12 1 1 A 53 53 PHE C C 53 172.660 173.013 -0.353 1 1 655 . 12 1 1 A 53 53 PHE CA C 53 56.508 55.471 1.037 1 1 656 . 12 1 1 A 53 53 PHE CB C 53 40.095 41.989 -1.894 1 1 662 . 12 1 1 A 53 53 PHE N N 53 118.940 119.319 -0.379 1 1 663 . 12 1 1 A 54 54 THR H H 54 8.622 9.169 -0.547 1 1 664 . 12 1 1 A 54 54 THR HA H 54 5.530 5.749 -0.219 1 1 669 . 12 1 1 A 54 54 THR C C 54 173.470 174.132 -0.662 1 1 670 . 12 1 1 A 54 54 THR CA C 54 60.148 59.626 0.522 1 1 671 . 12 1 1 A 54 54 THR CB C 54 71.820 71.775 0.045 1 1 673 . 12 1 1 A 54 54 THR N N 54 112.280 111.958 0.322 1 1 674 . 12 1 1 A 55 55 ALA H H 55 9.710 8.937 0.773 1 1 675 . 12 1 1 A 55 55 ALA HA H 55 5.354 5.211 0.143 1 1 679 . 12 1 1 A 55 55 ALA C C 55 176.720 177.043 -0.323 1 1 680 . 12 1 1 A 55 55 ALA CA C 55 50.568 50.347 0.221 1 1 681 . 12 1 1 A 55 55 ALA CB C 55 24.180 23.649 0.531 1 1 682 . 12 1 1 A 55 55 ALA N N 55 126.340 123.537 2.803 1 1 683 . 12 1 1 A 56 56 GLN H H 56 9.130 8.980 0.150 1 1 684 . 12 1 1 A 56 56 GLN HA H 56 5.030 4.495 0.535 1 1 691 . 12 1 1 A 56 56 GLN C C 56 174.960 175.868 -0.908 1 1 692 . 12 1 1 A 56 56 GLN CA C 56 56.820 57.069 -0.249 1 1 693 . 12 1 1 A 56 56 GLN CB C 56 29.180 29.758 -0.578 1 1 695 . 12 1 1 A 56 56 GLN N N 56 118.540 118.209 0.331 1 1 697 . 12 1 1 A 57 57 LYS H H 57 7.656 7.966 -0.310 1 1 698 . 12 1 1 A 57 57 LYS HA H 57 4.360 4.969 -0.609 1 1 707 . 12 1 1 A 57 57 LYS C C 57 172.490 175.451 -2.961 1 1 708 . 12 1 1 A 57 57 LYS CA C 57 54.351 54.949 -0.598 1 1 709 . 12 1 1 A 57 57 LYS CB C 57 35.360 35.823 -0.463 1 1 713 . 12 1 1 A 57 57 LYS N N 57 116.270 116.345 -0.075 1 1 714 . 12 1 1 A 58 58 ASN H H 58 7.709 9.023 -1.314 1 1 715 . 12 1 1 A 58 58 ASN HA H 58 4.000 5.116 -1.116 1 1 720 . 12 1 1 A 58 58 ASN C C 58 175.490 174.906 0.584 1 1 721 . 12 1 1 A 58 58 ASN CA C 58 53.498 53.230 0.268 1 1 722 . 12 1 1 A 58 58 ASN CB C 58 38.538 39.151 -0.613 1 1 723 . 12 1 1 A 58 58 ASN N N 58 117.960 118.672 -0.712 1 1 725 . 12 1 1 A 59 59 LEU H H 59 7.940 9.175 -1.235 1 1 726 . 12 1 1 A 59 59 LEU HA H 59 3.950 4.367 -0.417 1 1 736 . 12 1 1 A 59 59 LEU C C 59 176.410 176.688 -0.278 1 1 737 . 12 1 1 A 59 59 LEU CA C 59 54.550 56.255 -1.705 1 1 738 . 12 1 1 A 59 59 LEU CB C 59 42.370 42.108 0.262 1 1 742 . 12 1 1 A 59 59 LEU N N 59 128.190 124.137 4.053 1 1 743 . 12 1 1 A 60 60 ARG H H 60 8.355 7.642 0.713 1 1 744 . 12 1 1 A 60 60 ARG HA H 60 3.870 4.886 -1.016 1 1 752 . 12 1 1 A 60 60 ARG C C 60 175.350 174.838 0.512 1 1 753 . 12 1 1 A 60 60 ARG CA C 60 56.695 54.456 2.239 1 1 754 . 12 1 1 A 60 60 ARG CB C 60 31.290 35.001 -3.711 1 1 757 . 12 1 1 A 60 60 ARG N N 60 123.759 116.688 7.071 1 1 759 . 12 1 1 A 61 61 LYS H H 61 8.178 8.557 -0.379 1 1 760 . 12 1 1 A 61 61 LYS HA H 61 3.680 4.880 -1.200 1 1 769 . 12 1 1 A 61 61 LYS C C 61 177.290 176.372 0.918 1 1 770 . 12 1 1 A 61 61 LYS CA C 61 58.733 54.546 4.187 1 1 771 . 12 1 1 A 61 61 LYS CB C 61 31.564 35.565 -4.001 1 1 775 . 12 1 1 A 61 61 LYS N N 61 125.600 119.971 5.629 1 1 776 . 12 1 1 A 62 62 GLU H H 62 8.949 9.134 -0.185 1 1 777 . 12 1 1 A 62 62 GLU HA H 62 3.340 4.135 -0.795 1 1 782 . 12 1 1 A 62 62 GLU C C 62 176.170 175.518 0.652 1 1 783 . 12 1 1 A 62 62 GLU CA C 62 59.156 58.193 0.963 1 1 784 . 12 1 1 A 62 62 GLU CB C 62 28.040 29.395 -1.355 1 1 786 . 12 1 1 A 62 62 GLU N N 62 112.860 122.923 -10.063 1 1 787 . 12 1 1 A 63 63 ALA H H 63 7.604 7.950 -0.346 1 1 788 . 12 1 1 A 63 63 ALA HA H 63 4.020 4.323 -0.303 1 1 792 . 12 1 1 A 63 63 ALA C C 63 175.530 177.306 -1.776 1 1 793 . 12 1 1 A 63 63 ALA CA C 63 53.074 52.391 0.683 1 1 794 . 12 1 1 A 63 63 ALA CB C 63 19.323 20.098 -0.775 1 1 795 . 12 1 1 A 63 63 ALA N N 63 122.700 124.969 -2.269 1 1 796 . 12 1 1 A 64 64 PHE H H 64 8.876 8.649 0.227 1 1 797 . 12 1 1 A 64 64 PHE HA H 64 5.470 5.280 0.190 1 1 802 . 12 1 1 A 64 64 PHE C C 64 175.480 175.389 0.091 1 1 803 . 12 1 1 A 64 64 PHE CA C 64 56.780 57.731 -0.951 1 1 804 . 12 1 1 A 64 64 PHE CB C 64 41.566 40.914 0.652 1 1 807 . 12 1 1 A 64 64 PHE N N 64 118.670 118.432 0.238 1 1 808 . 12 1 1 A 65 65 LEU H H 65 8.870 9.122 -0.252 1 1 809 . 12 1 1 A 65 65 LEU HA H 65 5.390 4.976 0.414 1 1 819 . 12 1 1 A 65 65 LEU C C 65 176.030 174.558 1.472 1 1 820 . 12 1 1 A 65 65 LEU CA C 65 52.926 54.294 -1.368 1 1 821 . 12 1 1 A 65 65 LEU CB C 65 45.561 46.036 -0.475 1 1 825 . 12 1 1 A 65 65 LEU N N 65 118.700 121.350 -2.650 1 1 826 . 12 1 1 A 66 66 ARG H H 66 9.031 8.970 0.061 1 1 827 . 12 1 1 A 66 66 ARG HA H 66 4.345 4.310 0.035 1 1 835 . 12 1 1 A 66 66 ARG C C 66 174.220 174.892 -0.672 1 1 836 . 12 1 1 A 66 66 ARG CA C 66 54.957 55.719 -0.762 1 1 837 . 12 1 1 A 66 66 ARG CB C 66 32.885 30.096 2.789 1 1 840 . 12 1 1 A 66 66 ARG N N 66 121.590 126.011 -4.421 1 1 842 . 12 1 1 A 67 67 VAL H H 67 9.359 8.593 0.766 1 1 843 . 12 1 1 A 67 67 VAL HA H 67 4.400 4.334 0.066 1 1 851 . 12 1 1 A 67 67 VAL C C 67 174.070 174.647 -0.577 1 1 852 . 12 1 1 A 67 67 VAL CA C 67 60.910 61.926 -1.016 1 1 853 . 12 1 1 A 67 67 VAL CB C 67 33.960 32.032 1.928 1 1 856 . 12 1 1 A 67 67 VAL N N 67 126.230 125.462 0.768 1 1 857 . 12 1 1 A 68 68 TYR H H 68 8.710 8.946 -0.236 1 1 858 . 12 1 1 A 68 68 TYR HA H 68 5.070 4.788 0.282 1 1 865 . 12 1 1 A 68 68 TYR C C 68 175.390 174.573 0.817 1 1 866 . 12 1 1 A 68 68 TYR CA C 68 57.290 56.884 0.406 1 1 867 . 12 1 1 A 68 68 TYR CB C 68 38.690 38.796 -0.106 1 1 872 . 12 1 1 A 68 68 TYR N N 68 125.200 128.378 -3.178 1 1 873 . 12 1 1 A 69 69 HIS H H 69 9.224 8.944 0.280 1 1 874 . 12 1 1 A 69 69 HIS HA H 69 5.200 4.844 0.356 1 1 879 . 12 1 1 A 69 69 HIS C C 69 173.600 175.138 -1.538 1 1 880 . 12 1 1 A 69 69 HIS CA C 69 56.502 55.072 1.430 1 1 881 . 12 1 1 A 69 69 HIS CB C 69 35.873 30.360 5.513 1 1 884 . 12 1 1 A 69 69 HIS N N 69 124.780 129.290 -4.510 1 1 885 . 12 1 1 A 70 70 SER H H 70 7.425 8.632 -1.207 1 1 886 . 12 1 1 A 70 70 SER HA H 70 4.800 4.243 0.557 1 1 889 . 12 1 1 A 70 70 SER C C 70 173.790 174.895 -1.105 1 1 890 . 12 1 1 A 70 70 SER CA C 70 56.840 58.343 -1.503 1 1 891 . 12 1 1 A 70 70 SER CB C 70 66.500 64.198 2.302 1 1 892 . 12 1 1 A 70 70 SER N N 70 118.910 122.828 -3.918 1 1 893 . 12 1 1 A 71 71 ASP H H 71 9.020 8.874 0.146 1 1 894 . 12 1 1 A 71 71 ASP HA H 71 4.390 4.229 0.161 1 1 897 . 12 1 1 A 71 71 ASP C C 71 178.030 177.331 0.699 1 1 898 . 12 1 1 A 71 71 ASP CA C 71 57.220 57.594 -0.374 1 1 899 . 12 1 1 A 71 71 ASP CB C 71 40.622 40.852 -0.230 1 1 900 . 12 1 1 A 71 71 ASP N N 71 123.340 124.206 -0.866 1 1 901 . 12 1 1 A 72 72 LYS H H 72 8.220 7.892 0.328 1 1 902 . 12 1 1 A 72 72 LYS HA H 72 4.123 4.346 -0.223 1 1 911 . 12 1 1 A 72 72 LYS C C 72 177.560 176.637 0.923 1 1 912 . 12 1 1 A 72 72 LYS CA C 72 58.383 57.570 0.813 1 1 913 . 12 1 1 A 72 72 LYS CB C 72 32.778 33.386 -0.608 1 1 917 . 12 1 1 A 72 72 LYS N N 72 116.640 116.310 0.330 1 1 918 . 12 1 1 A 73 73 LYS H H 73 7.367 7.851 -0.484 1 1 919 . 12 1 1 A 73 73 LYS HA H 73 4.449 4.639 -0.190 1 1 928 . 12 1 1 A 73 73 LYS C C 73 176.750 176.406 0.344 1 1 929 . 12 1 1 A 73 73 LYS CA C 73 55.614 54.951 0.663 1 1 930 . 12 1 1 A 73 73 LYS CB C 73 33.910 33.800 0.110 1 1 934 . 12 1 1 A 73 73 LYS N N 73 115.780 114.039 1.741 1 1 935 . 12 1 1 A 74 74 GLY H H 74 8.240 8.619 -0.379 1 1 936 . 12 1 1 A 74 74 GLY HA2 H 74 3.630 3.993 -0.363 1 1 937 . 12 1 1 A 74 74 GLY HA3 H 74 4.240 4.013 0.227 1 1 938 . 12 1 1 A 74 74 GLY C C 74 174.817 174.720 0.097 1 1 939 . 12 1 1 A 74 74 GLY CA C 74 45.075 45.388 -0.313 1 1 940 . 12 1 1 A 74 74 GLY N N 74 110.370 108.585 1.785 1 1 941 . 12 1 1 A 75 75 VAL H H 75 9.140 8.324 0.816 1 1 942 . 12 1 1 A 75 75 VAL HA H 75 4.640 4.009 0.631 1 1 950 . 12 1 1 A 75 75 VAL C C 75 177.000 175.870 1.130 1 1 951 . 12 1 1 A 75 75 VAL CA C 75 63.550 62.816 0.734 1 1 952 . 12 1 1 A 75 75 VAL CB C 75 32.237 30.701 1.536 1 1 955 . 12 1 1 A 75 75 VAL N N 75 124.300 117.055 7.245 1 1 956 . 12 1 1 A 76 76 SER H H 76 9.020 8.838 0.182 1 1 957 . 12 1 1 A 76 76 SER HA H 76 4.640 4.598 0.042 1 1 960 . 12 1 1 A 76 76 SER C C 76 174.250 174.278 -0.028 1 1 961 . 12 1 1 A 76 76 SER CA C 76 58.440 60.087 -1.647 1 1 962 . 12 1 1 A 76 76 SER CB C 76 64.550 64.675 -0.125 1 1 963 . 12 1 1 A 76 76 SER N N 76 122.490 122.618 -0.128 1 1 964 . 12 1 1 A 77 77 ALA H H 77 7.890 7.718 0.172 1 1 965 . 12 1 1 A 77 77 ALA HA H 77 4.420 4.595 -0.175 1 1 969 . 12 1 1 A 77 77 ALA C C 77 174.430 175.404 -0.974 1 1 970 . 12 1 1 A 77 77 ALA CA C 77 51.940 51.348 0.592 1 1 971 . 12 1 1 A 77 77 ALA CB C 77 22.234 22.104 0.130 1 1 972 . 12 1 1 A 77 77 ALA N N 77 122.930 119.966 2.964 1 1 973 . 12 1 1 A 78 78 TRP H H 78 7.776 8.425 -0.649 1 1 974 . 12 1 1 A 78 78 TRP HA H 78 5.690 5.399 0.291 1 1 982 . 12 1 1 A 78 78 TRP C C 78 174.450 173.297 1.153 1 1 983 . 12 1 1 A 78 78 TRP CA C 78 55.899 55.807 0.092 1 1 984 . 12 1 1 A 78 78 TRP CB C 78 32.602 31.742 0.860 1 1 989 . 12 1 1 A 78 78 TRP N N 78 114.705 116.518 -1.813 1 1 991 . 12 1 1 A 79 79 GLU H H 79 9.210 8.885 0.325 1 1 992 . 12 1 1 A 79 79 GLU HA H 79 4.730 5.073 -0.343 1 1 997 . 12 1 1 A 79 79 GLU C C 79 174.130 174.528 -0.398 1 1 998 . 12 1 1 A 79 79 GLU CA C 79 54.939 54.664 0.275 1 1 999 . 12 1 1 A 79 79 GLU CB C 79 31.656 33.239 -1.583 1 1 1001 . 12 1 1 A 79 79 GLU N N 79 114.860 120.319 -5.459 1 1 1002 . 12 1 1 A 80 80 GLU H H 80 9.120 8.784 0.336 1 1 1003 . 12 1 1 A 80 80 GLU HA H 80 5.030 5.080 -0.050 1 1 1008 . 12 1 1 A 80 80 GLU C C 80 176.580 175.838 0.742 1 1 1009 . 12 1 1 A 80 80 GLU CA C 80 57.193 55.700 1.493 1 1 1010 . 12 1 1 A 80 80 GLU CB C 80 29.856 31.534 -1.678 1 1 1012 . 12 1 1 A 80 80 GLU N N 80 123.960 123.302 0.658 1 1 1013 . 12 1 1 A 81 81 VAL H H 81 8.694 8.881 -0.187 1 1 1014 . 12 1 1 A 81 81 VAL HA H 81 4.780 4.857 -0.077 1 1 1022 . 12 1 1 A 81 81 VAL C C 81 174.460 174.193 0.267 1 1 1023 . 12 1 1 A 81 81 VAL CA C 81 58.927 59.505 -0.578 1 1 1024 . 12 1 1 A 81 81 VAL CB C 81 35.550 35.817 -0.267 1 1 1027 . 12 1 1 A 81 81 VAL N N 81 118.990 119.875 -0.885 1 1 1028 . 12 1 1 A 82 82 LYS H H 82 8.708 8.734 -0.026 1 1 1029 . 12 1 1 A 82 82 LYS HA H 82 4.580 4.763 -0.183 1 1 1038 . 12 1 1 A 82 82 LYS C C 82 178.380 177.818 0.562 1 1 1039 . 12 1 1 A 82 82 LYS CA C 82 55.212 55.331 -0.119 1 1 1040 . 12 1 1 A 82 82 LYS CB C 82 33.689 33.704 -0.015 1 1 1044 . 12 1 1 A 82 82 LYS N N 82 120.850 123.685 -2.835 1 1 1045 . 12 1 1 A 83 83 LYS H H 83 8.870 9.096 -0.226 1 1 1046 . 12 1 1 A 83 83 LYS HA H 83 3.180 3.982 -0.802 1 1 1055 . 12 1 1 A 83 83 LYS C C 83 177.690 178.213 -0.523 1 1 1056 . 12 1 1 A 83 83 LYS CA C 83 59.370 58.749 0.621 1 1 1057 . 12 1 1 A 83 83 LYS CB C 83 32.209 32.127 0.082 1 1 1061 . 12 1 1 A 83 83 LYS N N 83 121.435 121.613 -0.178 1 1 1062 . 12 1 1 A 84 84 ASP H H 84 8.059 8.220 -0.161 1 1 1063 . 12 1 1 A 84 84 ASP HA H 84 4.220 4.404 -0.184 1 1 1066 . 12 1 1 A 84 84 ASP C C 84 177.100 179.405 -2.305 1 1 1067 . 12 1 1 A 84 84 ASP CA C 84 55.680 56.944 -1.264 1 1 1068 . 12 1 1 A 84 84 ASP CB C 84 40.392 40.259 0.133 1 1 1069 . 12 1 1 A 84 84 ASP N N 84 112.520 119.915 -7.395 1 1 1070 . 12 1 1 A 85 85 GLU H H 85 7.686 7.838 -0.152 1 1 1071 . 12 1 1 A 85 85 GLU HA H 85 4.136 4.374 -0.238 1 1 1076 . 12 1 1 A 85 85 GLU C C 85 176.270 177.783 -1.513 1 1 1077 . 12 1 1 A 85 85 GLU CA C 85 56.133 58.181 -2.048 1 1 1078 . 12 1 1 A 85 85 GLU CB C 85 30.479 30.073 0.406 1 1 1080 . 12 1 1 A 85 85 GLU N N 85 116.930 117.271 -0.341 1 1 1081 . 12 1 1 A 86 86 LEU H H 86 7.017 7.351 -0.334 1 1 1082 . 12 1 1 A 86 86 LEU HA H 86 3.710 4.430 -0.720 1 1 1092 . 12 1 1 A 86 86 LEU CA C 86 52.600 53.619 -1.019 1 1 1093 . 12 1 1 A 86 86 LEU CB C 86 42.120 41.353 0.767 1 1 1097 . 12 1 1 A 86 86 LEU N N 86 119.530 122.111 -2.581 1 1 1098 . 12 1 1 A 87 87 PRO HA H 87 4.330 4.544 -0.214 1 1 1105 . 12 1 1 A 87 87 PRO C C 87 176.940 177.309 -0.369 1 1 1106 . 12 1 1 A 87 87 PRO CA C 87 62.400 62.841 -0.441 1 1 1107 . 12 1 1 A 87 87 PRO CB C 87 32.537 32.863 -0.326 1 1 1110 . 12 1 1 A 88 88 ALA H H 88 8.943 8.732 0.211 1 1 1111 . 12 1 1 A 88 88 ALA HA H 88 3.780 4.009 -0.229 1 1 1115 . 12 1 1 A 88 88 ALA C C 88 180.520 179.712 0.808 1 1 1116 . 12 1 1 A 88 88 ALA CA C 88 56.911 55.139 1.772 1 1 1117 . 12 1 1 A 88 88 ALA CB C 88 18.502 18.131 0.371 1 1 1118 . 12 1 1 A 88 88 ALA N N 88 128.160 126.686 1.474 1 1 1119 . 12 1 1 A 89 89 LYS H H 89 9.270 8.126 1.144 1 1 1120 . 12 1 1 A 89 89 LYS HA H 89 3.990 3.993 -0.003 1 1 1129 . 12 1 1 A 89 89 LYS C C 89 179.070 179.110 -0.040 1 1 1130 . 12 1 1 A 89 89 LYS CA C 89 58.648 59.179 -0.531 1 1 1131 . 12 1 1 A 89 89 LYS CB C 89 31.962 32.711 -0.749 1 1 1135 . 12 1 1 A 89 89 LYS N N 89 115.610 117.705 -2.095 1 1 1136 . 12 1 1 A 90 90 VAL H H 90 6.846 7.701 -0.855 1 1 1137 . 12 1 1 A 90 90 VAL HA H 90 3.230 3.458 -0.228 1 1 1145 . 12 1 1 A 90 90 VAL C C 90 177.100 178.074 -0.974 1 1 1146 . 12 1 1 A 90 90 VAL CA C 90 65.870 66.448 -0.578 1 1 1147 . 12 1 1 A 90 90 VAL CB C 90 30.880 31.627 -0.747 1 1 1150 . 12 1 1 A 90 90 VAL N N 90 117.560 119.624 -2.064 1 1 1151 . 12 1 1 A 91 91 LYS H H 91 7.850 8.115 -0.265 1 1 1152 . 12 1 1 A 91 91 LYS HA H 91 3.430 4.275 -0.845 1 1 1161 . 12 1 1 A 91 91 LYS C C 91 178.420 178.989 -0.569 1 1 1162 . 12 1 1 A 91 91 LYS CA C 91 61.028 58.253 2.775 1 1 1163 . 12 1 1 A 91 91 LYS CB C 91 32.387 31.275 1.112 1 1 1167 . 12 1 1 A 91 91 LYS N N 91 118.750 119.654 -0.904 1 1 1168 . 12 1 1 A 92 92 GLU H H 92 7.282 7.958 -0.676 1 1 1169 . 12 1 1 A 92 92 GLU HA H 92 3.990 4.153 -0.163 1 1 1174 . 12 1 1 A 92 92 GLU C C 92 179.380 178.699 0.681 1 1 1175 . 12 1 1 A 92 92 GLU CA C 92 59.030 58.701 0.329 1 1 1176 . 12 1 1 A 92 92 GLU CB C 92 29.841 29.587 0.254 1 1 1178 . 12 1 1 A 92 92 GLU N N 92 115.375 120.018 -4.643 1 1 1179 . 12 1 1 A 93 93 LYS H H 93 7.343 7.926 -0.583 1 1 1180 . 12 1 1 A 93 93 LYS HA H 93 3.800 4.269 -0.469 1 1 1189 . 12 1 1 A 93 93 LYS C C 93 178.310 176.144 2.166 1 1 1190 . 12 1 1 A 93 93 LYS CA C 93 56.970 57.871 -0.901 1 1 1191 . 12 1 1 A 93 93 LYS CB C 93 30.740 33.464 -2.724 1 1 1195 . 12 1 1 A 93 93 LYS N N 93 118.370 119.124 -0.754 1 1 1196 . 12 1 1 A 94 94 LEU H H 94 8.000 7.679 0.321 1 1 1197 . 12 1 1 A 94 94 LEU HA H 94 4.360 4.516 -0.156 1 1 1207 . 12 1 1 A 94 94 LEU C C 94 177.350 177.186 0.164 1 1 1208 . 12 1 1 A 94 94 LEU CA C 94 54.765 53.868 0.897 1 1 1209 . 12 1 1 A 94 94 LEU CB C 94 42.796 41.646 1.150 1 1 1213 . 12 1 1 A 94 94 LEU N N 94 115.600 120.114 -4.514 1 1 1214 . 12 1 1 A 95 95 GLY H H 95 7.601 8.798 -1.197 1 1 1215 . 12 1 1 A 95 95 GLY HA2 H 95 3.830 3.957 -0.127 1 1 1216 . 12 1 1 A 95 95 GLY HA3 H 95 3.950 3.968 -0.018 1 1 1217 . 12 1 1 A 95 95 GLY C C 95 174.790 174.713 0.077 1 1 1218 . 12 1 1 A 95 95 GLY CA C 95 46.550 46.625 -0.075 1 1 1219 . 12 1 1 A 95 95 GLY N N 95 108.540 113.589 -5.049 1 1 1220 . 12 1 1 A 96 96 VAL H H 96 7.957 7.846 0.111 1 1 1221 . 12 1 1 A 96 96 VAL HA H 96 3.940 4.102 -0.162 1 1 1229 . 12 1 1 A 96 96 VAL C C 96 175.540 175.617 -0.077 1 1 1230 . 12 1 1 A 96 96 VAL CA C 96 62.314 61.562 0.752 1 1 1231 . 12 1 1 A 96 96 VAL CB C 96 32.155 31.849 0.306 1 1 1234 . 12 1 1 A 96 96 VAL N N 96 119.490 118.092 1.398 1 1 1235 . 12 1 1 A 97 97 LYS H H 97 8.293 8.778 -0.485 1 1 1236 . 12 1 1 A 97 97 LYS HA H 97 4.210 4.685 -0.475 1 1 1245 . 12 1 1 A 97 97 LYS C C 97 176.290 177.552 -1.262 1 1 1246 . 12 1 1 A 97 97 LYS CA C 97 56.174 54.168 2.006 1 1 1247 . 12 1 1 A 97 97 LYS CB C 97 33.200 35.342 -2.142 1 1 1251 . 12 1 1 A 97 97 LYS N N 97 126.120 125.508 0.612 1 1 1252 . 12 1 1 A 98 98 LEU H H 98 8.315 8.492 -0.177 1 1 1253 . 12 1 1 A 98 98 LEU HA H 98 4.240 4.200 0.040 1 1 1263 . 12 1 1 A 98 98 LEU C C 98 176.930 177.035 -0.105 1 1 1264 . 12 1 1 A 98 98 LEU CA C 98 54.800 55.971 -1.171 1 1 1265 . 12 1 1 A 98 98 LEU CB C 98 42.217 41.297 0.920 1 1 1269 . 12 1 1 A 98 98 LEU N N 98 124.170 121.604 2.566 1 1 1270 . 12 1 1 A 99 99 GLU H H 99 8.375 8.362 0.013 1 1 1271 . 12 1 1 A 99 99 GLU HA H 99 4.175 4.260 -0.085 1 1 1276 . 12 1 1 A 99 99 GLU C C 99 176.035 176.519 -0.484 1 1 1277 . 12 1 1 A 99 99 GLU CA C 99 56.352 56.901 -0.549 1 1 1278 . 12 1 1 A 99 99 GLU CB C 99 30.460 28.731 1.729 1 1 1280 . 12 1 1 A 99 99 GLU N N 99 122.010 118.454 3.556 1 1 1281 . 12 1 1 A 100 100 HIS H H 100 8.350 7.496 0.854 1 1 1282 . 12 1 1 A 100 100 HIS HA H 100 4.565 4.488 0.077 1 1 1285 . 12 1 1 A 100 100 HIS C C 100 173.880 174.448 -0.568 1 1 1286 . 12 1 1 A 100 100 HIS CA C 100 56.050 56.683 -0.633 1 1 1287 . 12 1 1 A 100 100 HIS CB C 100 30.144 29.597 0.547 1 1 1288 . 12 1 1 A 100 100 HIS N N 100 120.245 121.220 -0.975 1 1 1289 . 12 1 1 A 101 101 HIS H H 101 8.134 8.933 -0.799 1 1 1290 . 12 1 1 A 101 101 HIS HA H 101 4.410 5.245 -0.835 1 1 1293 . 12 1 1 A 101 101 HIS CA C 101 57.290 54.434 2.856 1 1 1294 . 12 1 1 A 101 101 HIS CB C 101 31.450 33.114 -1.664 1 1 1 . 13 1 1 A 2 2 ASP HA H 2 4.670 5.166 -0.496 1 1 4 . 13 1 1 A 2 2 ASP C C 2 176.480 175.638 0.842 1 1 5 . 13 1 1 A 2 2 ASP CA C 2 53.400 52.959 0.441 1 1 6 . 13 1 1 A 2 2 ASP CB C 2 41.170 41.694 -0.524 1 1 7 . 13 1 1 A 3 3 LEU H H 3 8.650 8.405 0.245 1 1 8 . 13 1 1 A 3 3 LEU HA H 3 4.116 4.393 -0.277 1 1 18 . 13 1 1 A 3 3 LEU C C 3 177.880 178.121 -0.241 1 1 19 . 13 1 1 A 3 3 LEU CA C 3 56.390 55.620 0.770 1 1 20 . 13 1 1 A 3 3 LEU CB C 3 41.660 43.423 -1.763 1 1 24 . 13 1 1 A 3 3 LEU N N 3 125.300 124.255 1.045 1 1 25 . 13 1 1 A 4 4 ASN H H 4 8.370 8.261 0.109 1 1 26 . 13 1 1 A 4 4 ASN HA H 4 4.490 4.669 -0.179 1 1 31 . 13 1 1 A 4 4 ASN C C 4 175.050 176.315 -1.265 1 1 32 . 13 1 1 A 4 4 ASN CA C 4 54.320 53.909 0.411 1 1 33 . 13 1 1 A 4 4 ASN CB C 4 38.240 38.421 -0.181 1 1 34 . 13 1 1 A 4 4 ASN N N 4 116.550 116.626 -0.076 1 1 36 . 13 1 1 A 5 5 ARG H H 5 7.645 7.802 -0.157 1 1 37 . 13 1 1 A 5 5 ARG HA H 5 3.920 4.588 -0.668 1 1 45 . 13 1 1 A 5 5 ARG C C 5 176.030 175.792 0.238 1 1 46 . 13 1 1 A 5 5 ARG CA C 5 56.180 55.212 0.968 1 1 47 . 13 1 1 A 5 5 ARG CB C 5 31.570 31.061 0.509 1 1 50 . 13 1 1 A 5 5 ARG N N 5 118.590 117.561 1.029 1 1 52 . 13 1 1 A 6 6 MET H H 6 7.809 7.225 0.584 1 1 53 . 13 1 1 A 6 6 MET HA H 6 4.355 4.320 0.035 1 1 58 . 13 1 1 A 6 6 MET C C 6 176.940 177.088 -0.148 1 1 59 . 13 1 1 A 6 6 MET CA C 6 56.290 56.273 0.017 1 1 60 . 13 1 1 A 6 6 MET CB C 6 33.020 33.726 -0.706 1 1 62 . 13 1 1 A 6 6 MET N N 6 120.180 119.561 0.619 1 1 63 . 13 1 1 A 7 7 GLY H H 7 8.906 8.887 0.019 1 1 64 . 13 1 1 A 7 7 GLY HA2 H 7 3.870 3.970 -0.100 1 1 65 . 13 1 1 A 7 7 GLY HA3 H 7 3.950 3.979 -0.029 1 1 66 . 13 1 1 A 7 7 GLY C C 7 174.280 174.488 -0.208 1 1 67 . 13 1 1 A 7 7 GLY CA C 7 46.110 44.923 1.187 1 1 68 . 13 1 1 A 7 7 GLY N N 7 112.660 111.384 1.276 1 1 69 . 13 1 1 A 8 8 LYS H H 8 7.819 7.742 0.077 1 1 70 . 13 1 1 A 8 8 LYS HA H 8 4.550 4.207 0.343 1 1 79 . 13 1 1 A 8 8 LYS C C 8 176.060 174.862 1.198 1 1 80 . 13 1 1 A 8 8 LYS CA C 8 54.444 55.534 -1.090 1 1 81 . 13 1 1 A 8 8 LYS CB C 8 33.760 32.337 1.423 1 1 85 . 13 1 1 A 8 8 LYS N N 8 119.130 119.843 -0.713 1 1 86 . 13 1 1 A 9 9 ASP H H 9 8.790 8.507 0.283 1 1 87 . 13 1 1 A 9 9 ASP HA H 9 4.730 4.494 0.236 1 1 90 . 13 1 1 A 9 9 ASP C C 9 174.530 175.374 -0.844 1 1 91 . 13 1 1 A 9 9 ASP CA C 9 54.560 53.824 0.736 1 1 92 . 13 1 1 A 9 9 ASP CB C 9 42.530 41.988 0.542 1 1 93 . 13 1 1 A 9 9 ASP N N 9 121.550 124.614 -3.064 1 1 94 . 13 1 1 A 10 10 GLU H H 10 7.950 8.686 -0.736 1 1 95 . 13 1 1 A 10 10 GLU HA H 10 4.570 5.144 -0.574 1 1 100 . 13 1 1 A 10 10 GLU C C 10 174.080 174.281 -0.201 1 1 101 . 13 1 1 A 10 10 GLU CA C 10 54.640 54.132 0.508 1 1 102 . 13 1 1 A 10 10 GLU CB C 10 31.380 33.631 -2.251 1 1 104 . 13 1 1 A 10 10 GLU N N 10 119.640 116.696 2.944 1 1 105 . 13 1 1 A 11 11 TYR H H 11 8.767 8.948 -0.181 1 1 106 . 13 1 1 A 11 11 TYR HA H 11 4.555 4.907 -0.352 1 1 113 . 13 1 1 A 11 11 TYR C C 11 173.480 174.663 -1.183 1 1 114 . 13 1 1 A 11 11 TYR CA C 11 56.360 56.550 -0.190 1 1 115 . 13 1 1 A 11 11 TYR CB C 11 43.860 41.649 2.211 1 1 120 . 13 1 1 A 11 11 TYR N N 11 120.960 118.257 2.703 1 1 121 . 13 1 1 A 12 12 TYR H H 12 9.290 9.116 0.174 1 1 122 . 13 1 1 A 12 12 TYR HA H 12 5.730 5.066 0.664 1 1 129 . 13 1 1 A 12 12 TYR C C 12 175.700 175.829 -0.129 1 1 130 . 13 1 1 A 12 12 TYR CA C 12 56.680 58.072 -1.392 1 1 131 . 13 1 1 A 12 12 TYR CB C 12 42.180 37.877 4.303 1 1 136 . 13 1 1 A 12 12 TYR N N 12 118.880 123.891 -5.011 1 1 137 . 13 1 1 A 13 13 VAL H H 13 8.670 9.148 -0.478 1 1 138 . 13 1 1 A 13 13 VAL HA H 13 5.050 5.097 -0.047 1 1 146 . 13 1 1 A 13 13 VAL C C 13 174.820 174.440 0.380 1 1 147 . 13 1 1 A 13 13 VAL CA C 13 58.130 60.254 -2.124 1 1 148 . 13 1 1 A 13 13 VAL CB C 13 35.890 33.866 2.024 1 1 151 . 13 1 1 A 13 13 VAL N N 13 112.280 120.502 -8.222 1 1 152 . 13 1 1 A 14 14 GLN H H 14 8.760 8.832 -0.072 1 1 153 . 13 1 1 A 14 14 GLN HA H 14 5.090 5.167 -0.077 1 1 160 . 13 1 1 A 14 14 GLN C C 14 175.000 174.708 0.292 1 1 161 . 13 1 1 A 14 14 GLN CA C 14 53.520 54.021 -0.501 1 1 162 . 13 1 1 A 14 14 GLN CB C 14 31.250 32.101 -0.851 1 1 164 . 13 1 1 A 14 14 GLN N N 14 120.910 120.542 0.368 1 1 166 . 13 1 1 A 15 15 ILE H H 15 8.843 9.062 -0.219 1 1 167 . 13 1 1 A 15 15 ILE HA H 15 3.900 4.142 -0.242 1 1 177 . 13 1 1 A 15 15 ILE C C 15 177.090 177.190 -0.100 1 1 178 . 13 1 1 A 15 15 ILE CA C 15 59.269 61.635 -2.366 1 1 179 . 13 1 1 A 15 15 ILE CB C 15 34.050 36.852 -2.802 1 1 183 . 13 1 1 A 15 15 ILE N N 15 125.520 127.697 -2.177 1 1 184 . 13 1 1 A 16 16 THR H H 16 7.996 8.161 -0.165 1 1 185 . 13 1 1 A 16 16 THR HA H 16 4.540 4.231 0.309 1 1 190 . 13 1 1 A 16 16 THR C C 16 173.650 174.857 -1.207 1 1 191 . 13 1 1 A 16 16 THR CA C 16 61.180 64.115 -2.935 1 1 192 . 13 1 1 A 16 16 THR CB C 16 69.300 68.856 0.444 1 1 194 . 13 1 1 A 16 16 THR N N 16 118.080 119.681 -1.601 1 1 195 . 13 1 1 A 17 17 VAL H H 17 7.240 7.655 -0.415 1 1 196 . 13 1 1 A 17 17 VAL HA H 17 4.659 4.211 0.448 1 1 204 . 13 1 1 A 17 17 VAL C C 17 175.135 175.159 -0.024 1 1 205 . 13 1 1 A 17 17 VAL CA C 17 58.870 61.257 -2.387 1 1 206 . 13 1 1 A 17 17 VAL CB C 17 36.070 32.992 3.078 1 1 209 . 13 1 1 A 17 17 VAL N N 17 113.230 119.110 -5.880 1 1 210 . 13 1 1 A 18 18 ASP H H 18 8.280 8.552 -0.272 1 1 211 . 13 1 1 A 18 18 ASP HA H 18 5.010 5.045 -0.035 1 1 214 . 13 1 1 A 18 18 ASP C C 18 177.350 175.529 1.821 1 1 215 . 13 1 1 A 18 18 ASP CA C 18 54.765 52.042 2.723 1 1 216 . 13 1 1 A 18 18 ASP CB C 18 42.120 44.560 -2.440 1 1 217 . 13 1 1 A 18 18 ASP N N 18 120.730 125.115 -4.385 1 1 218 . 13 1 1 A 19 19 GLY H H 19 8.951 8.551 0.400 1 1 219 . 13 1 1 A 19 19 GLY HA2 H 19 2.920 3.855 -0.935 1 1 220 . 13 1 1 A 19 19 GLY HA3 H 19 2.978 3.859 -0.881 1 1 221 . 13 1 1 A 19 19 GLY C C 19 172.450 174.076 -1.626 1 1 222 . 13 1 1 A 19 19 GLY CA C 19 45.370 45.721 -0.351 1 1 223 . 13 1 1 A 19 19 GLY N N 19 110.580 110.373 0.207 1 1 224 . 13 1 1 A 20 20 LYS H H 20 8.110 7.815 0.295 1 1 225 . 13 1 1 A 20 20 LYS HA H 20 4.374 4.354 0.020 1 1 234 . 13 1 1 A 20 20 LYS C C 20 175.710 175.961 -0.251 1 1 235 . 13 1 1 A 20 20 LYS CA C 20 54.800 55.679 -0.879 1 1 236 . 13 1 1 A 20 20 LYS CB C 20 33.240 32.661 0.579 1 1 240 . 13 1 1 A 20 20 LYS N N 20 124.290 122.409 1.881 1 1 241 . 13 1 1 A 21 21 GLU H H 21 8.710 8.875 -0.165 1 1 242 . 13 1 1 A 21 21 GLU HA H 21 3.930 5.040 -1.110 1 1 247 . 13 1 1 A 21 21 GLU C C 21 175.960 176.143 -0.183 1 1 248 . 13 1 1 A 21 21 GLU CA C 21 56.940 55.569 1.371 1 1 249 . 13 1 1 A 21 21 GLU CB C 21 30.439 31.646 -1.207 1 1 251 . 13 1 1 A 21 21 GLU N N 21 128.720 126.905 1.815 1 1 252 . 13 1 1 A 22 22 VAL H H 22 8.621 8.798 -0.177 1 1 253 . 13 1 1 A 22 22 VAL HA H 22 4.160 4.784 -0.624 1 1 261 . 13 1 1 A 22 22 VAL C C 22 175.210 174.004 1.206 1 1 262 . 13 1 1 A 22 22 VAL CA C 22 61.027 60.484 0.543 1 1 263 . 13 1 1 A 22 22 VAL CB C 22 34.501 33.566 0.935 1 1 266 . 13 1 1 A 22 22 VAL N N 22 125.340 118.516 6.824 1 1 267 . 13 1 1 A 23 23 HIS H H 23 8.607 8.949 -0.342 1 1 268 . 13 1 1 A 23 23 HIS HA H 23 4.820 4.484 0.336 1 1 273 . 13 1 1 A 23 23 HIS C C 23 175.040 174.639 0.401 1 1 274 . 13 1 1 A 23 23 HIS CA C 23 55.498 54.758 0.740 1 1 275 . 13 1 1 A 23 23 HIS CB C 23 30.660 28.035 2.625 1 1 278 . 13 1 1 A 23 23 HIS N N 23 124.000 127.704 -3.704 1 1 279 . 13 1 1 A 24 24 SER H H 24 8.480 8.027 0.453 1 1 280 . 13 1 1 A 24 24 SER HA H 24 4.480 4.353 0.127 1 1 283 . 13 1 1 A 24 24 SER C C 24 173.860 174.251 -0.391 1 1 284 . 13 1 1 A 24 24 SER CA C 24 57.690 58.901 -1.211 1 1 285 . 13 1 1 A 24 24 SER CB C 24 64.580 63.778 0.802 1 1 286 . 13 1 1 A 24 24 SER N N 24 118.250 117.160 1.090 1 1 287 . 13 1 1 A 25 25 LYS H H 25 8.517 7.619 0.898 1 1 288 . 13 1 1 A 25 25 LYS HA H 25 4.561 4.436 0.125 1 1 297 . 13 1 1 A 25 25 LYS C C 25 176.160 174.619 1.541 1 1 298 . 13 1 1 A 25 25 LYS CA C 25 56.255 55.239 1.016 1 1 299 . 13 1 1 A 25 25 LYS CB C 25 33.714 33.286 0.428 1 1 303 . 13 1 1 A 25 25 LYS N N 25 122.750 119.226 3.524 1 1 304 . 13 1 1 A 26 26 ALA H H 26 8.468 8.385 0.083 1 1 305 . 13 1 1 A 26 26 ALA HA H 26 4.470 4.275 0.195 1 1 309 . 13 1 1 A 26 26 ALA C C 26 177.950 177.179 0.771 1 1 310 . 13 1 1 A 26 26 ALA CA C 26 51.912 50.284 1.628 1 1 311 . 13 1 1 A 26 26 ALA CB C 26 20.050 18.768 1.282 1 1 312 . 13 1 1 A 26 26 ALA N N 26 125.370 126.366 -0.996 1 1 313 . 13 1 1 A 27 27 ASP H H 27 8.509 8.264 0.245 1 1 314 . 13 1 1 A 27 27 ASP HA H 27 4.460 4.486 -0.026 1 1 317 . 13 1 1 A 27 27 ASP C C 27 176.480 177.121 -0.641 1 1 318 . 13 1 1 A 27 27 ASP CA C 27 55.490 57.432 -1.942 1 1 319 . 13 1 1 A 27 27 ASP CB C 27 40.771 41.486 -0.715 1 1 320 . 13 1 1 A 27 27 ASP N N 27 120.380 123.734 -3.354 1 1 321 . 13 1 1 A 28 28 ASN H H 28 8.193 8.329 -0.136 1 1 322 . 13 1 1 A 28 28 ASN HA H 28 4.620 5.076 -0.456 1 1 327 . 13 1 1 A 28 28 ASN C C 28 176.310 174.953 1.357 1 1 328 . 13 1 1 A 28 28 ASN CA C 28 53.050 52.065 0.985 1 1 329 . 13 1 1 A 28 28 ASN CB C 28 38.080 38.968 -0.888 1 1 330 . 13 1 1 A 28 28 ASN N N 28 117.470 114.787 2.683 1 1 332 . 13 1 1 A 29 29 GLY H H 29 8.359 8.073 0.286 1 1 333 . 13 1 1 A 29 29 GLY HA2 H 29 4.110 4.130 -0.020 1 1 334 . 13 1 1 A 29 29 GLY HA3 H 29 3.720 4.154 -0.434 1 1 335 . 13 1 1 A 29 29 GLY C C 29 174.365 175.072 -0.707 1 1 336 . 13 1 1 A 29 29 GLY CA C 29 45.688 45.551 0.137 1 1 337 . 13 1 1 A 29 29 GLY N N 29 108.230 111.004 -2.774 1 1 338 . 13 1 1 A 30 30 GLN H H 30 7.920 8.124 -0.204 1 1 339 . 13 1 1 A 30 30 GLN HA H 30 4.200 4.085 0.115 1 1 346 . 13 1 1 A 30 30 GLN C C 30 174.330 175.557 -1.227 1 1 347 . 13 1 1 A 30 30 GLN CA C 30 56.210 56.102 0.108 1 1 348 . 13 1 1 A 30 30 GLN CB C 30 29.320 28.882 0.438 1 1 350 . 13 1 1 A 30 30 GLN N N 30 119.670 119.961 -0.291 1 1 352 . 13 1 1 A 31 31 LYS H H 31 8.390 8.597 -0.207 1 1 353 . 13 1 1 A 31 31 LYS HA H 31 4.490 4.585 -0.095 1 1 362 . 13 1 1 A 31 31 LYS C C 31 176.052 175.357 0.695 1 1 363 . 13 1 1 A 31 31 LYS CA C 31 56.417 56.064 0.353 1 1 364 . 13 1 1 A 31 31 LYS CB C 31 33.414 34.890 -1.476 1 1 368 . 13 1 1 A 31 31 LYS N N 31 121.950 125.215 -3.265 1 1 369 . 13 1 1 A 32 32 TYR H H 32 8.160 7.358 0.802 1 1 370 . 13 1 1 A 32 32 TYR HA H 32 4.770 5.107 -0.337 1 1 377 . 13 1 1 A 32 32 TYR C C 32 175.560 173.335 2.225 1 1 378 . 13 1 1 A 32 32 TYR CA C 32 56.300 56.330 -0.030 1 1 379 . 13 1 1 A 32 32 TYR CB C 32 40.074 41.263 -1.189 1 1 384 . 13 1 1 A 32 32 TYR N N 32 119.960 117.280 2.680 1 1 385 . 13 1 1 A 33 33 LYS H H 33 8.397 8.519 -0.122 1 1 386 . 13 1 1 A 33 33 LYS HA H 33 4.610 4.892 -0.282 1 1 395 . 13 1 1 A 33 33 LYS C C 33 174.080 174.756 -0.676 1 1 396 . 13 1 1 A 33 33 LYS CA C 33 55.512 54.388 1.124 1 1 397 . 13 1 1 A 33 33 LYS CB C 33 34.570 36.670 -2.100 1 1 401 . 13 1 1 A 33 33 LYS N N 33 122.080 120.712 1.368 1 1 402 . 13 1 1 A 34 34 ASP H H 34 8.140 8.251 -0.111 1 1 403 . 13 1 1 A 34 34 ASP HA H 34 5.040 5.213 -0.173 1 1 406 . 13 1 1 A 34 34 ASP C C 34 173.740 174.379 -0.639 1 1 407 . 13 1 1 A 34 34 ASP CA C 34 53.104 52.768 0.336 1 1 408 . 13 1 1 A 34 34 ASP CB C 34 44.290 43.620 0.670 1 1 409 . 13 1 1 A 34 34 ASP N N 34 121.430 121.014 0.416 1 1 410 . 13 1 1 A 35 35 TYR H H 35 8.849 8.516 0.333 1 1 411 . 13 1 1 A 35 35 TYR HA H 35 4.660 5.480 -0.820 1 1 418 . 13 1 1 A 35 35 TYR C C 35 174.450 174.361 0.089 1 1 419 . 13 1 1 A 35 35 TYR CA C 35 57.177 56.521 0.656 1 1 420 . 13 1 1 A 35 35 TYR CB C 35 40.955 41.760 -0.805 1 1 425 . 13 1 1 A 35 35 TYR N N 35 116.670 118.130 -1.460 1 1 426 . 13 1 1 A 36 36 GLU H H 36 9.144 9.025 0.119 1 1 427 . 13 1 1 A 36 36 GLU HA H 36 4.615 5.126 -0.511 1 1 432 . 13 1 1 A 36 36 GLU C C 36 175.850 173.984 1.866 1 1 433 . 13 1 1 A 36 36 GLU CA C 36 55.700 54.754 0.946 1 1 434 . 13 1 1 A 36 36 GLU CB C 36 32.541 33.487 -0.946 1 1 436 . 13 1 1 A 36 36 GLU N N 36 122.490 121.741 0.749 1 1 437 . 13 1 1 A 37 37 TYR H H 37 8.598 8.779 -0.181 1 1 438 . 13 1 1 A 37 37 TYR HA H 37 4.090 4.860 -0.770 1 1 445 . 13 1 1 A 37 37 TYR C C 37 174.140 173.942 0.198 1 1 446 . 13 1 1 A 37 37 TYR CA C 37 58.399 56.231 2.168 1 1 447 . 13 1 1 A 37 37 TYR CB C 37 41.690 39.728 1.962 1 1 452 . 13 1 1 A 37 37 TYR N N 37 122.480 124.427 -1.947 1 1 453 . 13 1 1 A 38 38 LYS H H 38 8.410 8.956 -0.546 1 1 454 . 13 1 1 A 38 38 LYS HA H 38 5.080 4.876 0.204 1 1 463 . 13 1 1 A 38 38 LYS C C 38 174.980 175.651 -0.671 1 1 464 . 13 1 1 A 38 38 LYS CA C 38 56.133 55.030 1.103 1 1 465 . 13 1 1 A 38 38 LYS CB C 38 33.525 33.948 -0.423 1 1 469 . 13 1 1 A 38 38 LYS N N 38 124.250 126.042 -1.792 1 1 470 . 13 1 1 A 39 39 LEU H H 39 8.555 8.551 0.004 1 1 471 . 13 1 1 A 39 39 LEU HA H 39 4.865 5.010 -0.145 1 1 480 . 13 1 1 A 39 39 LEU C C 39 175.120 174.609 0.511 1 1 481 . 13 1 1 A 39 39 LEU CA C 39 53.316 53.318 -0.002 1 1 482 . 13 1 1 A 39 39 LEU CB C 39 47.338 46.101 1.237 1 1 485 . 13 1 1 A 39 39 LEU N N 39 124.840 122.045 2.795 1 1 486 . 13 1 1 A 40 40 THR H H 40 8.615 8.607 0.008 1 1 487 . 13 1 1 A 40 40 THR HA H 40 4.410 5.059 -0.649 1 1 492 . 13 1 1 A 40 40 THR C C 40 173.360 173.994 -0.634 1 1 493 . 13 1 1 A 40 40 THR CA C 40 63.200 60.061 3.139 1 1 494 . 13 1 1 A 40 40 THR CB C 40 69.100 70.619 -1.519 1 1 496 . 13 1 1 A 40 40 THR N N 40 118.390 117.029 1.361 1 1 497 . 13 1 1 A 41 41 GLY H H 41 8.545 8.809 -0.264 1 1 498 . 13 1 1 A 41 41 GLY HA2 H 41 3.030 4.294 -1.264 1 1 499 . 13 1 1 A 41 41 GLY HA3 H 41 4.910 4.356 0.554 1 1 500 . 13 1 1 A 41 41 GLY C C 41 171.375 171.519 -0.144 1 1 501 . 13 1 1 A 41 41 GLY CA C 41 43.963 44.020 -0.057 1 1 502 . 13 1 1 A 41 41 GLY N N 41 113.500 114.203 -0.703 1 1 503 . 13 1 1 A 42 42 PHE H H 42 8.650 8.986 -0.336 1 1 504 . 13 1 1 A 42 42 PHE HA H 42 5.910 5.810 0.100 1 1 512 . 13 1 1 A 42 42 PHE C C 42 176.670 174.538 2.132 1 1 513 . 13 1 1 A 42 42 PHE CA C 42 56.260 56.559 -0.299 1 1 514 . 13 1 1 A 42 42 PHE CB C 42 44.750 41.567 3.183 1 1 520 . 13 1 1 A 42 42 PHE N N 42 113.300 121.747 -8.447 1 1 521 . 13 1 1 A 43 43 ASP H H 43 9.040 9.026 0.014 1 1 522 . 13 1 1 A 43 43 ASP HA H 43 5.100 5.053 0.047 1 1 525 . 13 1 1 A 43 43 ASP C C 43 177.790 175.625 2.165 1 1 526 . 13 1 1 A 43 43 ASP CA C 43 51.990 53.028 -1.038 1 1 527 . 13 1 1 A 43 43 ASP CB C 43 41.660 44.444 -2.784 1 1 528 . 13 1 1 A 43 43 ASP N N 43 123.450 122.260 1.190 1 1 529 . 13 1 1 A 44 44 LYS H H 44 8.689 8.881 -0.192 1 1 530 . 13 1 1 A 44 44 LYS HA H 44 3.920 4.130 -0.210 1 1 539 . 13 1 1 A 44 44 LYS C C 44 175.450 174.969 0.481 1 1 540 . 13 1 1 A 44 44 LYS CA C 44 58.730 58.735 -0.005 1 1 541 . 13 1 1 A 44 44 LYS CB C 44 31.707 32.305 -0.598 1 1 545 . 13 1 1 A 44 44 LYS N N 44 113.360 122.625 -9.265 1 1 546 . 13 1 1 A 45 45 ASP H H 45 8.178 8.393 -0.215 1 1 547 . 13 1 1 A 45 45 ASP HA H 45 4.930 4.816 0.114 1 1 550 . 13 1 1 A 45 45 ASP C C 45 176.710 175.399 1.311 1 1 551 . 13 1 1 A 45 45 ASP CA C 45 54.501 53.020 1.481 1 1 552 . 13 1 1 A 45 45 ASP CB C 45 42.260 41.078 1.182 1 1 553 . 13 1 1 A 45 45 ASP N N 45 119.050 120.252 -1.202 1 1 554 . 13 1 1 A 46 46 GLY H H 46 8.853 8.251 0.602 1 1 555 . 13 1 1 A 46 46 GLY HA2 H 46 4.120 4.016 0.104 1 1 556 . 13 1 1 A 46 46 GLY HA3 H 46 3.350 4.073 -0.723 1 1 557 . 13 1 1 A 46 46 GLY C C 46 173.020 174.583 -1.563 1 1 558 . 13 1 1 A 46 46 GLY CA C 46 45.510 46.743 -1.233 1 1 559 . 13 1 1 A 46 46 GLY N N 46 110.250 111.051 -0.801 1 1 560 . 13 1 1 A 47 47 LYS H H 47 8.640 7.587 1.053 1 1 561 . 13 1 1 A 47 47 LYS HA H 47 4.320 4.702 -0.382 1 1 570 . 13 1 1 A 47 47 LYS C C 47 176.180 175.779 0.401 1 1 571 . 13 1 1 A 47 47 LYS CA C 47 57.200 54.589 2.611 1 1 572 . 13 1 1 A 47 47 LYS CB C 47 32.300 34.899 -2.599 1 1 576 . 13 1 1 A 47 47 LYS N N 47 123.450 119.033 4.417 1 1 577 . 13 1 1 A 48 48 GLU H H 48 8.510 8.871 -0.361 1 1 578 . 13 1 1 A 48 48 GLU HA H 48 4.914 5.078 -0.164 1 1 583 . 13 1 1 A 48 48 GLU C C 48 176.545 174.660 1.885 1 1 584 . 13 1 1 A 48 48 GLU CA C 48 55.540 54.892 0.648 1 1 585 . 13 1 1 A 48 48 GLU CB C 48 32.850 31.429 1.421 1 1 587 . 13 1 1 A 48 48 GLU N N 48 123.300 121.986 1.314 1 1 588 . 13 1 1 A 49 49 LYS H H 49 8.304 8.023 0.281 1 1 589 . 13 1 1 A 49 49 LYS HA H 49 4.080 4.425 -0.345 1 1 598 . 13 1 1 A 49 49 LYS C C 49 173.870 174.059 -0.189 1 1 599 . 13 1 1 A 49 49 LYS CA C 49 54.797 55.270 -0.473 1 1 600 . 13 1 1 A 49 49 LYS CB C 49 36.248 35.805 0.443 1 1 604 . 13 1 1 A 49 49 LYS N N 49 123.450 120.202 3.248 1 1 605 . 13 1 1 A 50 50 GLU H H 50 8.377 8.544 -0.167 1 1 606 . 13 1 1 A 50 50 GLU HA H 50 4.298 4.837 -0.539 1 1 611 . 13 1 1 A 50 50 GLU C C 50 175.090 175.342 -0.252 1 1 612 . 13 1 1 A 50 50 GLU CA C 50 56.950 55.916 1.034 1 1 613 . 13 1 1 A 50 50 GLU CB C 50 29.872 30.584 -0.712 1 1 615 . 13 1 1 A 50 50 GLU N N 50 127.100 126.261 0.839 1 1 616 . 13 1 1 A 51 51 LEU H H 51 8.934 9.374 -0.440 1 1 617 . 13 1 1 A 51 51 LEU HA H 51 4.517 5.128 -0.611 1 1 627 . 13 1 1 A 51 51 LEU C C 51 174.890 176.314 -1.424 1 1 628 . 13 1 1 A 51 51 LEU CA C 51 53.817 53.308 0.509 1 1 629 . 13 1 1 A 51 51 LEU CB C 51 45.254 45.257 -0.003 1 1 633 . 13 1 1 A 51 51 LEU N N 51 127.790 127.098 0.692 1 1 634 . 13 1 1 A 52 52 GLU H H 52 8.360 9.174 -0.814 1 1 635 . 13 1 1 A 52 52 GLU HA H 52 5.417 5.263 0.154 1 1 640 . 13 1 1 A 52 52 GLU C C 52 174.890 175.294 -0.404 1 1 641 . 13 1 1 A 52 52 GLU CA C 52 54.519 54.892 -0.373 1 1 642 . 13 1 1 A 52 52 GLU CB C 52 32.500 32.585 -0.085 1 1 644 . 13 1 1 A 52 52 GLU N N 52 121.180 119.659 1.521 1 1 645 . 13 1 1 A 53 53 PHE H H 53 8.465 8.271 0.194 1 1 646 . 13 1 1 A 53 53 PHE HA H 53 5.130 5.356 -0.226 1 1 654 . 13 1 1 A 53 53 PHE C C 53 172.660 172.908 -0.248 1 1 655 . 13 1 1 A 53 53 PHE CA C 53 56.508 56.240 0.268 1 1 656 . 13 1 1 A 53 53 PHE CB C 53 40.095 41.706 -1.611 1 1 662 . 13 1 1 A 53 53 PHE N N 53 118.940 117.972 0.968 1 1 663 . 13 1 1 A 54 54 THR H H 54 8.622 9.213 -0.591 1 1 664 . 13 1 1 A 54 54 THR HA H 54 5.530 5.529 0.001 1 1 669 . 13 1 1 A 54 54 THR C C 54 173.470 174.151 -0.681 1 1 670 . 13 1 1 A 54 54 THR CA C 54 60.148 59.720 0.428 1 1 671 . 13 1 1 A 54 54 THR CB C 54 71.820 71.858 -0.038 1 1 673 . 13 1 1 A 54 54 THR N N 54 112.280 112.099 0.181 1 1 674 . 13 1 1 A 55 55 ALA H H 55 9.710 9.118 0.592 1 1 675 . 13 1 1 A 55 55 ALA HA H 55 5.354 5.098 0.256 1 1 679 . 13 1 1 A 55 55 ALA C C 55 176.720 178.332 -1.612 1 1 680 . 13 1 1 A 55 55 ALA CA C 55 50.568 50.520 0.048 1 1 681 . 13 1 1 A 55 55 ALA CB C 55 24.180 22.985 1.195 1 1 682 . 13 1 1 A 55 55 ALA N N 55 126.340 122.601 3.739 1 1 683 . 13 1 1 A 56 56 GLN H H 56 9.130 9.040 0.090 1 1 684 . 13 1 1 A 56 56 GLN HA H 56 5.030 4.307 0.723 1 1 691 . 13 1 1 A 56 56 GLN C C 56 174.960 175.529 -0.569 1 1 692 . 13 1 1 A 56 56 GLN CA C 56 56.820 58.226 -1.406 1 1 693 . 13 1 1 A 56 56 GLN CB C 56 29.180 29.251 -0.071 1 1 695 . 13 1 1 A 56 56 GLN N N 56 118.540 120.383 -1.843 1 1 697 . 13 1 1 A 57 57 LYS H H 57 7.656 7.768 -0.112 1 1 698 . 13 1 1 A 57 57 LYS HA H 57 4.360 4.621 -0.261 1 1 707 . 13 1 1 A 57 57 LYS C C 57 172.490 174.822 -2.332 1 1 708 . 13 1 1 A 57 57 LYS CA C 57 54.351 54.483 -0.132 1 1 709 . 13 1 1 A 57 57 LYS CB C 57 35.360 36.815 -1.455 1 1 713 . 13 1 1 A 57 57 LYS N N 57 116.270 116.864 -0.594 1 1 714 . 13 1 1 A 58 58 ASN H H 58 7.709 8.374 -0.665 1 1 715 . 13 1 1 A 58 58 ASN HA H 58 4.000 4.963 -0.963 1 1 720 . 13 1 1 A 58 58 ASN C C 58 175.490 175.844 -0.354 1 1 721 . 13 1 1 A 58 58 ASN CA C 58 53.498 52.461 1.037 1 1 722 . 13 1 1 A 58 58 ASN CB C 58 38.538 38.118 0.420 1 1 723 . 13 1 1 A 58 58 ASN N N 58 117.960 119.806 -1.846 1 1 725 . 13 1 1 A 59 59 LEU H H 59 7.940 9.287 -1.347 1 1 726 . 13 1 1 A 59 59 LEU HA H 59 3.950 4.113 -0.163 1 1 736 . 13 1 1 A 59 59 LEU C C 59 176.410 177.014 -0.604 1 1 737 . 13 1 1 A 59 59 LEU CA C 59 54.550 57.634 -3.084 1 1 738 . 13 1 1 A 59 59 LEU CB C 59 42.370 42.000 0.370 1 1 742 . 13 1 1 A 59 59 LEU N N 59 128.190 127.828 0.362 1 1 743 . 13 1 1 A 60 60 ARG H H 60 8.355 7.561 0.794 1 1 744 . 13 1 1 A 60 60 ARG HA H 60 3.870 4.634 -0.764 1 1 752 . 13 1 1 A 60 60 ARG C C 60 175.350 174.141 1.209 1 1 753 . 13 1 1 A 60 60 ARG CA C 60 56.695 55.780 0.915 1 1 754 . 13 1 1 A 60 60 ARG CB C 60 31.290 33.372 -2.082 1 1 757 . 13 1 1 A 60 60 ARG N N 60 123.759 115.096 8.663 1 1 759 . 13 1 1 A 61 61 LYS H H 61 8.178 8.567 -0.389 1 1 760 . 13 1 1 A 61 61 LYS HA H 61 3.680 4.351 -0.671 1 1 769 . 13 1 1 A 61 61 LYS C C 61 177.290 176.175 1.115 1 1 770 . 13 1 1 A 61 61 LYS CA C 61 58.733 56.171 2.562 1 1 771 . 13 1 1 A 61 61 LYS CB C 61 31.564 33.134 -1.570 1 1 775 . 13 1 1 A 61 61 LYS N N 61 125.600 123.566 2.034 1 1 776 . 13 1 1 A 62 62 GLU H H 62 8.949 8.987 -0.038 1 1 777 . 13 1 1 A 62 62 GLU HA H 62 3.340 3.841 -0.501 1 1 782 . 13 1 1 A 62 62 GLU C C 62 176.170 175.422 0.748 1 1 783 . 13 1 1 A 62 62 GLU CA C 62 59.156 58.199 0.957 1 1 784 . 13 1 1 A 62 62 GLU CB C 62 28.040 28.010 0.030 1 1 786 . 13 1 1 A 62 62 GLU N N 62 112.860 116.400 -3.540 1 1 787 . 13 1 1 A 63 63 ALA H H 63 7.604 7.733 -0.129 1 1 788 . 13 1 1 A 63 63 ALA HA H 63 4.020 4.585 -0.565 1 1 792 . 13 1 1 A 63 63 ALA C C 63 175.530 176.589 -1.059 1 1 793 . 13 1 1 A 63 63 ALA CA C 63 53.074 51.151 1.923 1 1 794 . 13 1 1 A 63 63 ALA CB C 63 19.323 21.858 -2.535 1 1 795 . 13 1 1 A 63 63 ALA N N 63 122.700 122.072 0.628 1 1 796 . 13 1 1 A 64 64 PHE H H 64 8.876 8.581 0.295 1 1 797 . 13 1 1 A 64 64 PHE HA H 64 5.470 5.467 0.003 1 1 802 . 13 1 1 A 64 64 PHE C C 64 175.480 175.390 0.090 1 1 803 . 13 1 1 A 64 64 PHE CA C 64 56.780 57.437 -0.657 1 1 804 . 13 1 1 A 64 64 PHE CB C 64 41.566 41.326 0.240 1 1 807 . 13 1 1 A 64 64 PHE N N 64 118.670 117.980 0.690 1 1 808 . 13 1 1 A 65 65 LEU H H 65 8.870 9.104 -0.234 1 1 809 . 13 1 1 A 65 65 LEU HA H 65 5.390 5.013 0.377 1 1 819 . 13 1 1 A 65 65 LEU C C 65 176.030 174.439 1.591 1 1 820 . 13 1 1 A 65 65 LEU CA C 65 52.926 54.486 -1.560 1 1 821 . 13 1 1 A 65 65 LEU CB C 65 45.561 46.053 -0.492 1 1 825 . 13 1 1 A 65 65 LEU N N 65 118.700 121.461 -2.761 1 1 826 . 13 1 1 A 66 66 ARG H H 66 9.031 9.061 -0.030 1 1 827 . 13 1 1 A 66 66 ARG HA H 66 4.345 4.363 -0.018 1 1 835 . 13 1 1 A 66 66 ARG C C 66 174.220 174.992 -0.772 1 1 836 . 13 1 1 A 66 66 ARG CA C 66 54.957 55.910 -0.953 1 1 837 . 13 1 1 A 66 66 ARG CB C 66 32.885 30.753 2.132 1 1 840 . 13 1 1 A 66 66 ARG N N 66 121.590 128.363 -6.773 1 1 842 . 13 1 1 A 67 67 VAL H H 67 9.359 8.671 0.688 1 1 843 . 13 1 1 A 67 67 VAL HA H 67 4.400 4.495 -0.095 1 1 851 . 13 1 1 A 67 67 VAL C C 67 174.070 174.467 -0.397 1 1 852 . 13 1 1 A 67 67 VAL CA C 67 60.910 61.759 -0.849 1 1 853 . 13 1 1 A 67 67 VAL CB C 67 33.960 32.600 1.360 1 1 856 . 13 1 1 A 67 67 VAL N N 67 126.230 127.288 -1.058 1 1 857 . 13 1 1 A 68 68 TYR H H 68 8.710 9.049 -0.339 1 1 858 . 13 1 1 A 68 68 TYR HA H 68 5.070 4.857 0.213 1 1 865 . 13 1 1 A 68 68 TYR C C 68 175.390 174.293 1.097 1 1 866 . 13 1 1 A 68 68 TYR CA C 68 57.290 56.694 0.596 1 1 867 . 13 1 1 A 68 68 TYR CB C 68 38.690 39.400 -0.710 1 1 872 . 13 1 1 A 68 68 TYR N N 68 125.200 128.185 -2.985 1 1 873 . 13 1 1 A 69 69 HIS H H 69 9.224 8.893 0.331 1 1 874 . 13 1 1 A 69 69 HIS HA H 69 5.200 5.846 -0.646 1 1 879 . 13 1 1 A 69 69 HIS C C 69 173.600 173.675 -0.075 1 1 880 . 13 1 1 A 69 69 HIS CA C 69 56.502 54.871 1.631 1 1 881 . 13 1 1 A 69 69 HIS CB C 69 35.873 32.000 3.873 1 1 884 . 13 1 1 A 69 69 HIS N N 69 124.780 129.862 -5.082 1 1 885 . 13 1 1 A 70 70 SER H H 70 7.425 8.525 -1.100 1 1 886 . 13 1 1 A 70 70 SER HA H 70 4.800 4.518 0.282 1 1 889 . 13 1 1 A 70 70 SER C C 70 173.790 174.404 -0.614 1 1 890 . 13 1 1 A 70 70 SER CA C 70 56.840 56.909 -0.069 1 1 891 . 13 1 1 A 70 70 SER CB C 70 66.500 65.749 0.751 1 1 892 . 13 1 1 A 70 70 SER N N 70 118.910 123.170 -4.260 1 1 893 . 13 1 1 A 71 71 ASP H H 71 9.020 8.988 0.032 1 1 894 . 13 1 1 A 71 71 ASP HA H 71 4.390 4.260 0.130 1 1 897 . 13 1 1 A 71 71 ASP C C 71 178.030 178.438 -0.408 1 1 898 . 13 1 1 A 71 71 ASP CA C 71 57.220 58.021 -0.801 1 1 899 . 13 1 1 A 71 71 ASP CB C 71 40.622 40.459 0.163 1 1 900 . 13 1 1 A 71 71 ASP N N 71 123.340 124.483 -1.143 1 1 901 . 13 1 1 A 72 72 LYS H H 72 8.220 8.060 0.160 1 1 902 . 13 1 1 A 72 72 LYS HA H 72 4.123 4.173 -0.050 1 1 911 . 13 1 1 A 72 72 LYS C C 72 177.560 179.237 -1.677 1 1 912 . 13 1 1 A 72 72 LYS CA C 72 58.383 58.492 -0.109 1 1 913 . 13 1 1 A 72 72 LYS CB C 72 32.778 33.270 -0.492 1 1 917 . 13 1 1 A 72 72 LYS N N 72 116.640 117.487 -0.847 1 1 918 . 13 1 1 A 73 73 LYS H H 73 7.367 7.797 -0.430 1 1 919 . 13 1 1 A 73 73 LYS HA H 73 4.449 4.283 0.166 1 1 928 . 13 1 1 A 73 73 LYS C C 73 176.750 176.907 -0.157 1 1 929 . 13 1 1 A 73 73 LYS CA C 73 55.614 57.676 -2.062 1 1 930 . 13 1 1 A 73 73 LYS CB C 73 33.910 33.270 0.640 1 1 934 . 13 1 1 A 73 73 LYS N N 73 115.780 119.798 -4.018 1 1 935 . 13 1 1 A 74 74 GLY H H 74 8.240 8.743 -0.503 1 1 936 . 13 1 1 A 74 74 GLY HA2 H 74 3.630 3.889 -0.259 1 1 937 . 13 1 1 A 74 74 GLY HA3 H 74 4.240 3.990 0.250 1 1 938 . 13 1 1 A 74 74 GLY C C 74 174.817 173.614 1.203 1 1 939 . 13 1 1 A 74 74 GLY CA C 74 45.075 46.576 -1.501 1 1 940 . 13 1 1 A 74 74 GLY N N 74 110.370 107.715 2.655 1 1 941 . 13 1 1 A 75 75 VAL H H 75 9.140 7.915 1.225 1 1 942 . 13 1 1 A 75 75 VAL HA H 75 4.640 4.963 -0.323 1 1 950 . 13 1 1 A 75 75 VAL C C 75 177.000 175.188 1.812 1 1 951 . 13 1 1 A 75 75 VAL CA C 75 63.550 61.441 2.109 1 1 952 . 13 1 1 A 75 75 VAL CB C 75 32.237 34.254 -2.017 1 1 955 . 13 1 1 A 75 75 VAL N N 75 124.300 120.712 3.588 1 1 956 . 13 1 1 A 76 76 SER H H 76 9.020 8.943 0.077 1 1 957 . 13 1 1 A 76 76 SER HA H 76 4.640 4.536 0.104 1 1 960 . 13 1 1 A 76 76 SER C C 76 174.250 174.703 -0.453 1 1 961 . 13 1 1 A 76 76 SER CA C 76 58.440 60.045 -1.605 1 1 962 . 13 1 1 A 76 76 SER CB C 76 64.550 64.146 0.404 1 1 963 . 13 1 1 A 76 76 SER N N 76 122.490 121.502 0.988 1 1 964 . 13 1 1 A 77 77 ALA H H 77 7.890 7.534 0.356 1 1 965 . 13 1 1 A 77 77 ALA HA H 77 4.420 4.398 0.022 1 1 969 . 13 1 1 A 77 77 ALA C C 77 174.430 175.440 -1.010 1 1 970 . 13 1 1 A 77 77 ALA CA C 77 51.940 51.569 0.371 1 1 971 . 13 1 1 A 77 77 ALA CB C 77 22.234 21.804 0.430 1 1 972 . 13 1 1 A 77 77 ALA N N 77 122.930 118.592 4.338 1 1 973 . 13 1 1 A 78 78 TRP H H 78 7.776 8.269 -0.493 1 1 974 . 13 1 1 A 78 78 TRP HA H 78 5.690 5.548 0.142 1 1 982 . 13 1 1 A 78 78 TRP C C 78 174.450 173.164 1.286 1 1 983 . 13 1 1 A 78 78 TRP CA C 78 55.899 55.619 0.280 1 1 984 . 13 1 1 A 78 78 TRP CB C 78 32.602 32.139 0.463 1 1 989 . 13 1 1 A 78 78 TRP N N 78 114.705 116.189 -1.484 1 1 991 . 13 1 1 A 79 79 GLU H H 79 9.210 9.008 0.202 1 1 992 . 13 1 1 A 79 79 GLU HA H 79 4.730 5.131 -0.401 1 1 997 . 13 1 1 A 79 79 GLU C C 79 174.130 174.563 -0.433 1 1 998 . 13 1 1 A 79 79 GLU CA C 79 54.939 54.799 0.140 1 1 999 . 13 1 1 A 79 79 GLU CB C 79 31.656 33.223 -1.567 1 1 1001 . 13 1 1 A 79 79 GLU N N 79 114.860 120.073 -5.213 1 1 1002 . 13 1 1 A 80 80 GLU H H 80 9.120 8.816 0.304 1 1 1003 . 13 1 1 A 80 80 GLU HA H 80 5.030 5.096 -0.066 1 1 1008 . 13 1 1 A 80 80 GLU C C 80 176.580 175.934 0.646 1 1 1009 . 13 1 1 A 80 80 GLU CA C 80 57.193 55.667 1.526 1 1 1010 . 13 1 1 A 80 80 GLU CB C 80 29.856 31.727 -1.871 1 1 1012 . 13 1 1 A 80 80 GLU N N 80 123.960 123.909 0.051 1 1 1013 . 13 1 1 A 81 81 VAL H H 81 8.694 8.951 -0.257 1 1 1014 . 13 1 1 A 81 81 VAL HA H 81 4.780 4.889 -0.109 1 1 1022 . 13 1 1 A 81 81 VAL C C 81 174.460 174.708 -0.248 1 1 1023 . 13 1 1 A 81 81 VAL CA C 81 58.927 59.328 -0.401 1 1 1024 . 13 1 1 A 81 81 VAL CB C 81 35.550 35.888 -0.338 1 1 1027 . 13 1 1 A 81 81 VAL N N 81 118.990 120.238 -1.248 1 1 1028 . 13 1 1 A 82 82 LYS H H 82 8.708 8.754 -0.046 1 1 1029 . 13 1 1 A 82 82 LYS HA H 82 4.580 4.515 0.065 1 1 1038 . 13 1 1 A 82 82 LYS C C 82 178.380 178.244 0.136 1 1 1039 . 13 1 1 A 82 82 LYS CA C 82 55.212 55.840 -0.628 1 1 1040 . 13 1 1 A 82 82 LYS CB C 82 33.689 33.417 0.272 1 1 1044 . 13 1 1 A 82 82 LYS N N 82 120.850 124.409 -3.559 1 1 1045 . 13 1 1 A 83 83 LYS H H 83 8.870 9.078 -0.208 1 1 1046 . 13 1 1 A 83 83 LYS HA H 83 3.180 3.949 -0.769 1 1 1055 . 13 1 1 A 83 83 LYS C C 83 177.690 177.945 -0.255 1 1 1056 . 13 1 1 A 83 83 LYS CA C 83 59.370 59.860 -0.490 1 1 1057 . 13 1 1 A 83 83 LYS CB C 83 32.209 32.127 0.082 1 1 1061 . 13 1 1 A 83 83 LYS N N 83 121.435 124.137 -2.702 1 1 1062 . 13 1 1 A 84 84 ASP H H 84 8.059 8.312 -0.253 1 1 1063 . 13 1 1 A 84 84 ASP HA H 84 4.220 4.435 -0.215 1 1 1066 . 13 1 1 A 84 84 ASP C C 84 177.100 177.901 -0.801 1 1 1067 . 13 1 1 A 84 84 ASP CA C 84 55.680 56.919 -1.239 1 1 1068 . 13 1 1 A 84 84 ASP CB C 84 40.392 40.658 -0.266 1 1 1069 . 13 1 1 A 84 84 ASP N N 84 112.520 119.617 -7.097 1 1 1070 . 13 1 1 A 85 85 GLU H H 85 7.686 7.834 -0.148 1 1 1071 . 13 1 1 A 85 85 GLU HA H 85 4.136 4.388 -0.252 1 1 1076 . 13 1 1 A 85 85 GLU C C 85 176.270 176.112 0.158 1 1 1077 . 13 1 1 A 85 85 GLU CA C 85 56.133 56.844 -0.711 1 1 1078 . 13 1 1 A 85 85 GLU CB C 85 30.479 30.137 0.342 1 1 1080 . 13 1 1 A 85 85 GLU N N 85 116.930 117.372 -0.442 1 1 1081 . 13 1 1 A 86 86 LEU H H 86 7.017 7.462 -0.445 1 1 1082 . 13 1 1 A 86 86 LEU HA H 86 3.710 4.399 -0.689 1 1 1092 . 13 1 1 A 86 86 LEU CA C 86 52.600 51.248 1.352 1 1 1093 . 13 1 1 A 86 86 LEU CB C 86 42.120 42.362 -0.242 1 1 1097 . 13 1 1 A 86 86 LEU N N 86 119.530 121.069 -1.539 1 1 1098 . 13 1 1 A 87 87 PRO HA H 87 4.330 4.481 -0.151 1 1 1105 . 13 1 1 A 87 87 PRO C C 87 176.940 177.420 -0.480 1 1 1106 . 13 1 1 A 87 87 PRO CA C 87 62.400 62.730 -0.330 1 1 1107 . 13 1 1 A 87 87 PRO CB C 87 32.537 32.734 -0.197 1 1 1110 . 13 1 1 A 88 88 ALA H H 88 8.943 8.628 0.315 1 1 1111 . 13 1 1 A 88 88 ALA HA H 88 3.780 3.936 -0.156 1 1 1115 . 13 1 1 A 88 88 ALA C C 88 180.520 179.674 0.846 1 1 1116 . 13 1 1 A 88 88 ALA CA C 88 56.911 54.942 1.969 1 1 1117 . 13 1 1 A 88 88 ALA CB C 88 18.502 18.035 0.467 1 1 1118 . 13 1 1 A 88 88 ALA N N 88 128.160 126.594 1.566 1 1 1119 . 13 1 1 A 89 89 LYS H H 89 9.270 8.088 1.182 1 1 1120 . 13 1 1 A 89 89 LYS HA H 89 3.990 4.044 -0.054 1 1 1129 . 13 1 1 A 89 89 LYS C C 89 179.070 179.276 -0.206 1 1 1130 . 13 1 1 A 89 89 LYS CA C 89 58.648 58.700 -0.052 1 1 1131 . 13 1 1 A 89 89 LYS CB C 89 31.962 31.904 0.058 1 1 1135 . 13 1 1 A 89 89 LYS N N 89 115.610 117.794 -2.184 1 1 1136 . 13 1 1 A 90 90 VAL H H 90 6.846 7.541 -0.695 1 1 1137 . 13 1 1 A 90 90 VAL HA H 90 3.230 3.820 -0.590 1 1 1145 . 13 1 1 A 90 90 VAL C C 90 177.100 177.577 -0.477 1 1 1146 . 13 1 1 A 90 90 VAL CA C 90 65.870 65.500 0.370 1 1 1147 . 13 1 1 A 90 90 VAL CB C 90 30.880 30.967 -0.087 1 1 1150 . 13 1 1 A 90 90 VAL N N 90 117.560 117.123 0.437 1 1 1151 . 13 1 1 A 91 91 LYS H H 91 7.850 7.996 -0.146 1 1 1152 . 13 1 1 A 91 91 LYS HA H 91 3.430 4.136 -0.706 1 1 1161 . 13 1 1 A 91 91 LYS C C 91 178.420 179.402 -0.982 1 1 1162 . 13 1 1 A 91 91 LYS CA C 91 61.028 58.838 2.190 1 1 1163 . 13 1 1 A 91 91 LYS CB C 91 32.387 32.692 -0.305 1 1 1167 . 13 1 1 A 91 91 LYS N N 91 118.750 120.736 -1.986 1 1 1168 . 13 1 1 A 92 92 GLU H H 92 7.282 8.421 -1.139 1 1 1169 . 13 1 1 A 92 92 GLU HA H 92 3.990 4.056 -0.066 1 1 1174 . 13 1 1 A 92 92 GLU C C 92 179.380 177.891 1.489 1 1 1175 . 13 1 1 A 92 92 GLU CA C 92 59.030 59.057 -0.027 1 1 1176 . 13 1 1 A 92 92 GLU CB C 92 29.841 29.268 0.573 1 1 1178 . 13 1 1 A 92 92 GLU N N 92 115.375 119.981 -4.606 1 1 1179 . 13 1 1 A 93 93 LYS H H 93 7.343 7.164 0.179 1 1 1180 . 13 1 1 A 93 93 LYS HA H 93 3.800 4.445 -0.645 1 1 1189 . 13 1 1 A 93 93 LYS C C 93 178.310 175.322 2.988 1 1 1190 . 13 1 1 A 93 93 LYS CA C 93 56.970 56.611 0.359 1 1 1191 . 13 1 1 A 93 93 LYS CB C 93 30.740 33.322 -2.582 1 1 1195 . 13 1 1 A 93 93 LYS N N 93 118.370 117.760 0.610 1 1 1196 . 13 1 1 A 94 94 LEU H H 94 8.000 7.575 0.425 1 1 1197 . 13 1 1 A 94 94 LEU HA H 94 4.360 4.648 -0.288 1 1 1207 . 13 1 1 A 94 94 LEU C C 94 177.350 176.960 0.390 1 1 1208 . 13 1 1 A 94 94 LEU CA C 94 54.765 53.568 1.197 1 1 1209 . 13 1 1 A 94 94 LEU CB C 94 42.796 44.269 -1.473 1 1 1213 . 13 1 1 A 94 94 LEU N N 94 115.600 119.173 -3.573 1 1 1214 . 13 1 1 A 95 95 GLY H H 95 7.601 8.687 -1.086 1 1 1215 . 13 1 1 A 95 95 GLY HA2 H 95 3.830 3.936 -0.106 1 1 1216 . 13 1 1 A 95 95 GLY HA3 H 95 3.950 3.939 0.011 1 1 1217 . 13 1 1 A 95 95 GLY C C 95 174.790 173.803 0.987 1 1 1218 . 13 1 1 A 95 95 GLY CA C 95 46.550 44.995 1.555 1 1 1219 . 13 1 1 A 95 95 GLY N N 95 108.540 112.557 -4.017 1 1 1220 . 13 1 1 A 96 96 VAL H H 96 7.957 7.738 0.219 1 1 1221 . 13 1 1 A 96 96 VAL HA H 96 3.940 4.247 -0.307 1 1 1229 . 13 1 1 A 96 96 VAL C C 96 175.540 174.971 0.569 1 1 1230 . 13 1 1 A 96 96 VAL CA C 96 62.314 61.646 0.668 1 1 1231 . 13 1 1 A 96 96 VAL CB C 96 32.155 33.430 -1.275 1 1 1234 . 13 1 1 A 96 96 VAL N N 96 119.490 122.199 -2.709 1 1 1235 . 13 1 1 A 97 97 LYS H H 97 8.293 8.353 -0.060 1 1 1236 . 13 1 1 A 97 97 LYS HA H 97 4.210 4.826 -0.616 1 1 1245 . 13 1 1 A 97 97 LYS C C 97 176.290 176.367 -0.077 1 1 1246 . 13 1 1 A 97 97 LYS CA C 97 56.174 54.879 1.295 1 1 1247 . 13 1 1 A 97 97 LYS CB C 97 33.200 34.843 -1.643 1 1 1251 . 13 1 1 A 97 97 LYS N N 97 126.120 124.411 1.709 1 1 1252 . 13 1 1 A 98 98 LEU H H 98 8.315 9.009 -0.694 1 1 1253 . 13 1 1 A 98 98 LEU HA H 98 4.240 4.154 0.086 1 1 1263 . 13 1 1 A 98 98 LEU C C 98 176.930 176.407 0.523 1 1 1264 . 13 1 1 A 98 98 LEU CA C 98 54.800 55.281 -0.481 1 1 1265 . 13 1 1 A 98 98 LEU CB C 98 42.217 41.803 0.414 1 1 1269 . 13 1 1 A 98 98 LEU N N 98 124.170 121.799 2.371 1 1 1270 . 13 1 1 A 99 99 GLU H H 99 8.375 9.040 -0.665 1 1 1271 . 13 1 1 A 99 99 GLU HA H 99 4.175 3.994 0.181 1 1 1276 . 13 1 1 A 99 99 GLU C C 99 176.035 175.400 0.635 1 1 1277 . 13 1 1 A 99 99 GLU CA C 99 56.352 57.215 -0.863 1 1 1278 . 13 1 1 A 99 99 GLU CB C 99 30.460 28.193 2.267 1 1 1280 . 13 1 1 A 99 99 GLU N N 99 122.010 121.566 0.444 1 1 1281 . 13 1 1 A 100 100 HIS H H 100 8.350 8.080 0.270 1 1 1282 . 13 1 1 A 100 100 HIS HA H 100 4.565 4.721 -0.156 1 1 1285 . 13 1 1 A 100 100 HIS C C 100 173.880 174.341 -0.461 1 1 1286 . 13 1 1 A 100 100 HIS CA C 100 56.050 55.442 0.608 1 1 1287 . 13 1 1 A 100 100 HIS CB C 100 30.144 28.849 1.295 1 1 1288 . 13 1 1 A 100 100 HIS N N 100 120.245 119.553 0.692 1 1 1289 . 13 1 1 A 101 101 HIS H H 101 8.134 8.759 -0.625 1 1 1290 . 13 1 1 A 101 101 HIS HA H 101 4.410 4.426 -0.016 1 1 1293 . 13 1 1 A 101 101 HIS CA C 101 57.290 57.230 0.060 1 1 1294 . 13 1 1 A 101 101 HIS CB C 101 31.450 29.769 1.681 1 1 1 . 14 1 1 A 2 2 ASP HA H 2 4.670 5.112 -0.442 1 1 4 . 14 1 1 A 2 2 ASP C C 2 176.480 175.464 1.016 1 1 5 . 14 1 1 A 2 2 ASP CA C 2 53.400 52.847 0.553 1 1 6 . 14 1 1 A 2 2 ASP CB C 2 41.170 43.852 -2.682 1 1 7 . 14 1 1 A 3 3 LEU H H 3 8.650 8.421 0.229 1 1 8 . 14 1 1 A 3 3 LEU HA H 3 4.116 4.739 -0.623 1 1 18 . 14 1 1 A 3 3 LEU C C 3 177.880 178.223 -0.343 1 1 19 . 14 1 1 A 3 3 LEU CA C 3 56.390 54.924 1.466 1 1 20 . 14 1 1 A 3 3 LEU CB C 3 41.660 43.151 -1.491 1 1 24 . 14 1 1 A 3 3 LEU N N 3 125.300 121.645 3.655 1 1 25 . 14 1 1 A 4 4 ASN H H 4 8.370 7.739 0.631 1 1 26 . 14 1 1 A 4 4 ASN HA H 4 4.490 4.563 -0.073 1 1 31 . 14 1 1 A 4 4 ASN C C 4 175.050 176.943 -1.893 1 1 32 . 14 1 1 A 4 4 ASN CA C 4 54.320 55.572 -1.252 1 1 33 . 14 1 1 A 4 4 ASN CB C 4 38.240 38.734 -0.494 1 1 34 . 14 1 1 A 4 4 ASN N N 4 116.550 117.760 -1.210 1 1 36 . 14 1 1 A 5 5 ARG H H 5 7.645 8.053 -0.408 1 1 37 . 14 1 1 A 5 5 ARG HA H 5 3.920 4.547 -0.627 1 1 45 . 14 1 1 A 5 5 ARG C C 5 176.030 177.475 -1.445 1 1 46 . 14 1 1 A 5 5 ARG CA C 5 56.180 58.829 -2.649 1 1 47 . 14 1 1 A 5 5 ARG CB C 5 31.570 30.413 1.157 1 1 50 . 14 1 1 A 5 5 ARG N N 5 118.590 119.538 -0.948 1 1 52 . 14 1 1 A 6 6 MET H H 6 7.809 7.756 0.053 1 1 53 . 14 1 1 A 6 6 MET HA H 6 4.355 4.112 0.243 1 1 58 . 14 1 1 A 6 6 MET C C 6 176.940 176.986 -0.046 1 1 59 . 14 1 1 A 6 6 MET CA C 6 56.290 57.873 -1.583 1 1 60 . 14 1 1 A 6 6 MET CB C 6 33.020 31.280 1.740 1 1 62 . 14 1 1 A 6 6 MET N N 6 120.180 118.372 1.808 1 1 63 . 14 1 1 A 7 7 GLY H H 7 8.906 8.321 0.585 1 1 64 . 14 1 1 A 7 7 GLY HA2 H 7 3.870 4.002 -0.132 1 1 65 . 14 1 1 A 7 7 GLY HA3 H 7 3.950 4.008 -0.058 1 1 66 . 14 1 1 A 7 7 GLY C C 7 174.280 174.106 0.174 1 1 67 . 14 1 1 A 7 7 GLY CA C 7 46.110 45.323 0.787 1 1 68 . 14 1 1 A 7 7 GLY N N 7 112.660 108.113 4.547 1 1 69 . 14 1 1 A 8 8 LYS H H 8 7.819 7.597 0.222 1 1 70 . 14 1 1 A 8 8 LYS HA H 8 4.550 4.325 0.225 1 1 79 . 14 1 1 A 8 8 LYS C C 8 176.060 175.567 0.493 1 1 80 . 14 1 1 A 8 8 LYS CA C 8 54.444 55.662 -1.218 1 1 81 . 14 1 1 A 8 8 LYS CB C 8 33.760 32.974 0.786 1 1 85 . 14 1 1 A 8 8 LYS N N 8 119.130 120.330 -1.200 1 1 86 . 14 1 1 A 9 9 ASP H H 9 8.790 8.663 0.127 1 1 87 . 14 1 1 A 9 9 ASP HA H 9 4.730 4.941 -0.211 1 1 90 . 14 1 1 A 9 9 ASP C C 9 174.530 176.185 -1.655 1 1 91 . 14 1 1 A 9 9 ASP CA C 9 54.560 53.626 0.934 1 1 92 . 14 1 1 A 9 9 ASP CB C 9 42.530 42.373 0.157 1 1 93 . 14 1 1 A 9 9 ASP N N 9 121.550 124.178 -2.628 1 1 94 . 14 1 1 A 10 10 GLU H H 10 7.950 8.674 -0.724 1 1 95 . 14 1 1 A 10 10 GLU HA H 10 4.570 5.179 -0.609 1 1 100 . 14 1 1 A 10 10 GLU C C 10 174.080 175.179 -1.099 1 1 101 . 14 1 1 A 10 10 GLU CA C 10 54.640 55.450 -0.810 1 1 102 . 14 1 1 A 10 10 GLU CB C 10 31.380 31.043 0.337 1 1 104 . 14 1 1 A 10 10 GLU N N 10 119.640 119.627 0.013 1 1 105 . 14 1 1 A 11 11 TYR H H 11 8.767 9.397 -0.630 1 1 106 . 14 1 1 A 11 11 TYR HA H 11 4.555 4.973 -0.418 1 1 113 . 14 1 1 A 11 11 TYR C C 11 173.480 174.888 -1.408 1 1 114 . 14 1 1 A 11 11 TYR CA C 11 56.360 56.430 -0.070 1 1 115 . 14 1 1 A 11 11 TYR CB C 11 43.860 39.723 4.137 1 1 120 . 14 1 1 A 11 11 TYR N N 11 120.960 123.097 -2.137 1 1 121 . 14 1 1 A 12 12 TYR H H 12 9.290 9.117 0.173 1 1 122 . 14 1 1 A 12 12 TYR HA H 12 5.730 5.090 0.640 1 1 129 . 14 1 1 A 12 12 TYR C C 12 175.700 176.244 -0.544 1 1 130 . 14 1 1 A 12 12 TYR CA C 12 56.680 57.718 -1.038 1 1 131 . 14 1 1 A 12 12 TYR CB C 12 42.180 38.863 3.317 1 1 136 . 14 1 1 A 12 12 TYR N N 12 118.880 123.571 -4.691 1 1 137 . 14 1 1 A 13 13 VAL H H 13 8.670 9.076 -0.406 1 1 138 . 14 1 1 A 13 13 VAL HA H 13 5.050 5.174 -0.124 1 1 146 . 14 1 1 A 13 13 VAL C C 13 174.820 173.794 1.026 1 1 147 . 14 1 1 A 13 13 VAL CA C 13 58.130 59.554 -1.424 1 1 148 . 14 1 1 A 13 13 VAL CB C 13 35.890 34.943 0.947 1 1 151 . 14 1 1 A 13 13 VAL N N 13 112.280 118.586 -6.306 1 1 152 . 14 1 1 A 14 14 GLN H H 14 8.760 9.018 -0.258 1 1 153 . 14 1 1 A 14 14 GLN HA H 14 5.090 5.188 -0.098 1 1 160 . 14 1 1 A 14 14 GLN C C 14 175.000 175.142 -0.142 1 1 161 . 14 1 1 A 14 14 GLN CA C 14 53.520 54.154 -0.634 1 1 162 . 14 1 1 A 14 14 GLN CB C 14 31.250 31.954 -0.704 1 1 164 . 14 1 1 A 14 14 GLN N N 14 120.910 123.426 -2.516 1 1 166 . 14 1 1 A 15 15 ILE H H 15 8.843 8.756 0.087 1 1 167 . 14 1 1 A 15 15 ILE HA H 15 3.900 4.183 -0.283 1 1 177 . 14 1 1 A 15 15 ILE C C 15 177.090 176.787 0.303 1 1 178 . 14 1 1 A 15 15 ILE CA C 15 59.269 61.942 -2.673 1 1 179 . 14 1 1 A 15 15 ILE CB C 15 34.050 36.808 -2.758 1 1 183 . 14 1 1 A 15 15 ILE N N 15 125.520 127.615 -2.095 1 1 184 . 14 1 1 A 16 16 THR H H 16 7.996 9.062 -1.066 1 1 185 . 14 1 1 A 16 16 THR HA H 16 4.540 4.490 0.050 1 1 190 . 14 1 1 A 16 16 THR C C 16 173.650 174.603 -0.953 1 1 191 . 14 1 1 A 16 16 THR CA C 16 61.180 62.374 -1.194 1 1 192 . 14 1 1 A 16 16 THR CB C 16 69.300 69.724 -0.424 1 1 194 . 14 1 1 A 16 16 THR N N 16 118.080 119.131 -1.051 1 1 195 . 14 1 1 A 17 17 VAL H H 17 7.240 7.689 -0.449 1 1 196 . 14 1 1 A 17 17 VAL HA H 17 4.659 4.230 0.429 1 1 204 . 14 1 1 A 17 17 VAL C C 17 175.135 175.196 -0.061 1 1 205 . 14 1 1 A 17 17 VAL CA C 17 58.870 61.346 -2.476 1 1 206 . 14 1 1 A 17 17 VAL CB C 17 36.070 32.913 3.157 1 1 209 . 14 1 1 A 17 17 VAL N N 17 113.230 119.188 -5.958 1 1 210 . 14 1 1 A 18 18 ASP H H 18 8.280 8.539 -0.259 1 1 211 . 14 1 1 A 18 18 ASP HA H 18 5.010 4.488 0.522 1 1 214 . 14 1 1 A 18 18 ASP C C 18 177.350 175.267 2.083 1 1 215 . 14 1 1 A 18 18 ASP CA C 18 54.765 51.788 2.977 1 1 216 . 14 1 1 A 18 18 ASP CB C 18 42.120 44.032 -1.912 1 1 217 . 14 1 1 A 18 18 ASP N N 18 120.730 124.924 -4.194 1 1 218 . 14 1 1 A 19 19 GLY H H 19 8.951 8.314 0.637 1 1 219 . 14 1 1 A 19 19 GLY HA2 H 19 2.920 3.579 -0.659 1 1 220 . 14 1 1 A 19 19 GLY HA3 H 19 2.978 3.723 -0.745 1 1 221 . 14 1 1 A 19 19 GLY C C 19 172.450 174.503 -2.053 1 1 222 . 14 1 1 A 19 19 GLY CA C 19 45.370 45.521 -0.151 1 1 223 . 14 1 1 A 19 19 GLY N N 19 110.580 109.158 1.422 1 1 224 . 14 1 1 A 20 20 LYS H H 20 8.110 7.804 0.306 1 1 225 . 14 1 1 A 20 20 LYS HA H 20 4.374 4.217 0.157 1 1 234 . 14 1 1 A 20 20 LYS C C 20 175.710 175.726 -0.016 1 1 235 . 14 1 1 A 20 20 LYS CA C 20 54.800 55.261 -0.461 1 1 236 . 14 1 1 A 20 20 LYS CB C 20 33.240 31.255 1.985 1 1 240 . 14 1 1 A 20 20 LYS N N 20 124.290 120.908 3.382 1 1 241 . 14 1 1 A 21 21 GLU H H 21 8.710 8.160 0.550 1 1 242 . 14 1 1 A 21 21 GLU HA H 21 3.930 4.358 -0.428 1 1 247 . 14 1 1 A 21 21 GLU C C 21 175.960 175.896 0.064 1 1 248 . 14 1 1 A 21 21 GLU CA C 21 56.940 56.624 0.316 1 1 249 . 14 1 1 A 21 21 GLU CB C 21 30.439 29.762 0.677 1 1 251 . 14 1 1 A 21 21 GLU N N 21 128.720 125.227 3.493 1 1 252 . 14 1 1 A 22 22 VAL H H 22 8.621 8.626 -0.005 1 1 253 . 14 1 1 A 22 22 VAL HA H 22 4.160 4.342 -0.182 1 1 261 . 14 1 1 A 22 22 VAL C C 22 175.210 174.798 0.412 1 1 262 . 14 1 1 A 22 22 VAL CA C 22 61.027 61.442 -0.415 1 1 263 . 14 1 1 A 22 22 VAL CB C 22 34.501 30.908 3.593 1 1 266 . 14 1 1 A 22 22 VAL N N 22 125.340 121.022 4.318 1 1 267 . 14 1 1 A 23 23 HIS H H 23 8.607 8.493 0.114 1 1 268 . 14 1 1 A 23 23 HIS HA H 23 4.820 4.613 0.207 1 1 273 . 14 1 1 A 23 23 HIS C C 23 175.040 175.851 -0.811 1 1 274 . 14 1 1 A 23 23 HIS CA C 23 55.498 54.828 0.670 1 1 275 . 14 1 1 A 23 23 HIS CB C 23 30.660 29.887 0.773 1 1 278 . 14 1 1 A 23 23 HIS N N 23 124.000 127.121 -3.121 1 1 279 . 14 1 1 A 24 24 SER H H 24 8.480 8.011 0.469 1 1 280 . 14 1 1 A 24 24 SER HA H 24 4.480 4.008 0.472 1 1 283 . 14 1 1 A 24 24 SER C C 24 173.860 174.325 -0.465 1 1 284 . 14 1 1 A 24 24 SER CA C 24 57.690 61.620 -3.930 1 1 285 . 14 1 1 A 24 24 SER CB C 24 64.580 63.298 1.282 1 1 286 . 14 1 1 A 24 24 SER N N 24 118.250 115.499 2.751 1 1 287 . 14 1 1 A 25 25 LYS H H 25 8.517 7.503 1.014 1 1 288 . 14 1 1 A 25 25 LYS HA H 25 4.561 4.273 0.288 1 1 297 . 14 1 1 A 25 25 LYS C C 25 176.160 175.225 0.935 1 1 298 . 14 1 1 A 25 25 LYS CA C 25 56.255 55.585 0.670 1 1 299 . 14 1 1 A 25 25 LYS CB C 25 33.714 32.915 0.799 1 1 303 . 14 1 1 A 25 25 LYS N N 25 122.750 119.275 3.475 1 1 304 . 14 1 1 A 26 26 ALA H H 26 8.468 8.571 -0.103 1 1 305 . 14 1 1 A 26 26 ALA HA H 26 4.470 3.959 0.511 1 1 309 . 14 1 1 A 26 26 ALA C C 26 177.950 177.131 0.819 1 1 310 . 14 1 1 A 26 26 ALA CA C 26 51.912 52.971 -1.059 1 1 311 . 14 1 1 A 26 26 ALA CB C 26 20.050 17.349 2.701 1 1 312 . 14 1 1 A 26 26 ALA N N 26 125.370 129.973 -4.603 1 1 313 . 14 1 1 A 27 27 ASP H H 27 8.509 7.839 0.670 1 1 314 . 14 1 1 A 27 27 ASP HA H 27 4.460 4.469 -0.009 1 1 317 . 14 1 1 A 27 27 ASP C C 27 176.480 176.231 0.249 1 1 318 . 14 1 1 A 27 27 ASP CA C 27 55.490 56.155 -0.665 1 1 319 . 14 1 1 A 27 27 ASP CB C 27 40.771 40.401 0.370 1 1 320 . 14 1 1 A 27 27 ASP N N 27 120.380 115.324 5.056 1 1 321 . 14 1 1 A 28 28 ASN H H 28 8.193 8.479 -0.286 1 1 322 . 14 1 1 A 28 28 ASN HA H 28 4.620 5.103 -0.483 1 1 327 . 14 1 1 A 28 28 ASN C C 28 176.310 175.681 0.629 1 1 328 . 14 1 1 A 28 28 ASN CA C 28 53.050 52.590 0.460 1 1 329 . 14 1 1 A 28 28 ASN CB C 28 38.080 39.704 -1.624 1 1 330 . 14 1 1 A 28 28 ASN N N 28 117.470 118.283 -0.813 1 1 332 . 14 1 1 A 29 29 GLY H H 29 8.359 8.168 0.191 1 1 333 . 14 1 1 A 29 29 GLY HA2 H 29 4.110 4.065 0.045 1 1 334 . 14 1 1 A 29 29 GLY HA3 H 29 3.720 4.065 -0.345 1 1 335 . 14 1 1 A 29 29 GLY C C 29 174.365 173.931 0.434 1 1 336 . 14 1 1 A 29 29 GLY CA C 29 45.688 45.254 0.434 1 1 337 . 14 1 1 A 29 29 GLY N N 29 108.230 107.150 1.080 1 1 338 . 14 1 1 A 30 30 GLN H H 30 7.920 7.882 0.038 1 1 339 . 14 1 1 A 30 30 GLN HA H 30 4.200 4.873 -0.673 1 1 346 . 14 1 1 A 30 30 GLN C C 30 174.330 175.383 -1.053 1 1 347 . 14 1 1 A 30 30 GLN CA C 30 56.210 54.354 1.856 1 1 348 . 14 1 1 A 30 30 GLN CB C 30 29.320 31.143 -1.823 1 1 350 . 14 1 1 A 30 30 GLN N N 30 119.670 117.311 2.359 1 1 352 . 14 1 1 A 31 31 LYS H H 31 8.390 8.546 -0.156 1 1 353 . 14 1 1 A 31 31 LYS HA H 31 4.490 4.329 0.161 1 1 362 . 14 1 1 A 31 31 LYS C C 31 176.052 176.123 -0.071 1 1 363 . 14 1 1 A 31 31 LYS CA C 31 56.417 56.399 0.018 1 1 364 . 14 1 1 A 31 31 LYS CB C 31 33.414 31.590 1.824 1 1 368 . 14 1 1 A 31 31 LYS N N 31 121.950 119.865 2.085 1 1 369 . 14 1 1 A 32 32 TYR H H 32 8.160 8.349 -0.189 1 1 370 . 14 1 1 A 32 32 TYR HA H 32 4.770 4.983 -0.213 1 1 377 . 14 1 1 A 32 32 TYR C C 32 175.560 174.826 0.734 1 1 378 . 14 1 1 A 32 32 TYR CA C 32 56.300 56.381 -0.081 1 1 379 . 14 1 1 A 32 32 TYR CB C 32 40.074 40.630 -0.556 1 1 384 . 14 1 1 A 32 32 TYR N N 32 119.960 118.831 1.129 1 1 385 . 14 1 1 A 33 33 LYS H H 33 8.397 8.895 -0.498 1 1 386 . 14 1 1 A 33 33 LYS HA H 33 4.610 4.794 -0.184 1 1 395 . 14 1 1 A 33 33 LYS C C 33 174.080 174.716 -0.636 1 1 396 . 14 1 1 A 33 33 LYS CA C 33 55.512 54.528 0.984 1 1 397 . 14 1 1 A 33 33 LYS CB C 33 34.570 34.984 -0.414 1 1 401 . 14 1 1 A 33 33 LYS N N 33 122.080 119.855 2.225 1 1 402 . 14 1 1 A 34 34 ASP H H 34 8.140 8.924 -0.784 1 1 403 . 14 1 1 A 34 34 ASP HA H 34 5.040 5.120 -0.080 1 1 406 . 14 1 1 A 34 34 ASP C C 34 173.740 175.101 -1.361 1 1 407 . 14 1 1 A 34 34 ASP CA C 34 53.104 52.707 0.397 1 1 408 . 14 1 1 A 34 34 ASP CB C 34 44.290 43.006 1.284 1 1 409 . 14 1 1 A 34 34 ASP N N 34 121.430 124.936 -3.506 1 1 410 . 14 1 1 A 35 35 TYR H H 35 8.849 9.068 -0.219 1 1 411 . 14 1 1 A 35 35 TYR HA H 35 4.660 4.945 -0.285 1 1 418 . 14 1 1 A 35 35 TYR C C 35 174.450 175.200 -0.750 1 1 419 . 14 1 1 A 35 35 TYR CA C 35 57.177 57.930 -0.753 1 1 420 . 14 1 1 A 35 35 TYR CB C 35 40.955 38.276 2.679 1 1 425 . 14 1 1 A 35 35 TYR N N 35 116.670 121.573 -4.903 1 1 426 . 14 1 1 A 36 36 GLU H H 36 9.144 9.237 -0.093 1 1 427 . 14 1 1 A 36 36 GLU HA H 36 4.615 4.661 -0.046 1 1 432 . 14 1 1 A 36 36 GLU C C 36 175.850 174.873 0.977 1 1 433 . 14 1 1 A 36 36 GLU CA C 36 55.700 55.711 -0.011 1 1 434 . 14 1 1 A 36 36 GLU CB C 36 32.541 30.705 1.836 1 1 436 . 14 1 1 A 36 36 GLU N N 36 122.490 125.837 -3.347 1 1 437 . 14 1 1 A 37 37 TYR H H 37 8.598 8.982 -0.384 1 1 438 . 14 1 1 A 37 37 TYR HA H 37 4.090 4.854 -0.764 1 1 445 . 14 1 1 A 37 37 TYR C C 37 174.140 174.118 0.022 1 1 446 . 14 1 1 A 37 37 TYR CA C 37 58.399 56.026 2.373 1 1 447 . 14 1 1 A 37 37 TYR CB C 37 41.690 38.456 3.234 1 1 452 . 14 1 1 A 37 37 TYR N N 37 122.480 126.739 -4.259 1 1 453 . 14 1 1 A 38 38 LYS H H 38 8.410 8.753 -0.343 1 1 454 . 14 1 1 A 38 38 LYS HA H 38 5.080 4.828 0.252 1 1 463 . 14 1 1 A 38 38 LYS C C 38 174.980 175.795 -0.815 1 1 464 . 14 1 1 A 38 38 LYS CA C 38 56.133 55.170 0.963 1 1 465 . 14 1 1 A 38 38 LYS CB C 38 33.525 33.727 -0.202 1 1 469 . 14 1 1 A 38 38 LYS N N 38 124.250 126.241 -1.991 1 1 470 . 14 1 1 A 39 39 LEU H H 39 8.555 8.877 -0.322 1 1 471 . 14 1 1 A 39 39 LEU HA H 39 4.865 5.020 -0.155 1 1 480 . 14 1 1 A 39 39 LEU C C 39 175.120 175.198 -0.078 1 1 481 . 14 1 1 A 39 39 LEU CA C 39 53.316 53.234 0.082 1 1 482 . 14 1 1 A 39 39 LEU CB C 39 47.338 45.763 1.575 1 1 485 . 14 1 1 A 39 39 LEU N N 39 124.840 122.548 2.292 1 1 486 . 14 1 1 A 40 40 THR H H 40 8.615 8.619 -0.004 1 1 487 . 14 1 1 A 40 40 THR HA H 40 4.410 4.865 -0.455 1 1 492 . 14 1 1 A 40 40 THR C C 40 173.360 174.207 -0.847 1 1 493 . 14 1 1 A 40 40 THR CA C 40 63.200 60.495 2.705 1 1 494 . 14 1 1 A 40 40 THR CB C 40 69.100 69.747 -0.647 1 1 496 . 14 1 1 A 40 40 THR N N 40 118.390 116.050 2.340 1 1 497 . 14 1 1 A 41 41 GLY H H 41 8.545 9.351 -0.806 1 1 498 . 14 1 1 A 41 41 GLY HA2 H 41 3.030 4.296 -1.266 1 1 499 . 14 1 1 A 41 41 GLY HA3 H 41 4.910 4.344 0.566 1 1 500 . 14 1 1 A 41 41 GLY C C 41 171.375 172.587 -1.212 1 1 501 . 14 1 1 A 41 41 GLY CA C 41 43.963 44.753 -0.790 1 1 502 . 14 1 1 A 41 41 GLY N N 41 113.500 114.833 -1.333 1 1 503 . 14 1 1 A 42 42 PHE H H 42 8.650 8.536 0.114 1 1 504 . 14 1 1 A 42 42 PHE HA H 42 5.910 5.119 0.791 1 1 512 . 14 1 1 A 42 42 PHE C C 42 176.670 174.343 2.327 1 1 513 . 14 1 1 A 42 42 PHE CA C 42 56.260 57.917 -1.657 1 1 514 . 14 1 1 A 42 42 PHE CB C 42 44.750 40.782 3.968 1 1 520 . 14 1 1 A 42 42 PHE N N 42 113.300 122.788 -9.488 1 1 521 . 14 1 1 A 43 43 ASP H H 43 9.040 9.068 -0.028 1 1 522 . 14 1 1 A 43 43 ASP HA H 43 5.100 4.561 0.539 1 1 525 . 14 1 1 A 43 43 ASP C C 43 177.790 175.524 2.266 1 1 526 . 14 1 1 A 43 43 ASP CA C 43 51.990 53.035 -1.045 1 1 527 . 14 1 1 A 43 43 ASP CB C 43 41.660 42.729 -1.069 1 1 528 . 14 1 1 A 43 43 ASP N N 43 123.450 122.466 0.984 1 1 529 . 14 1 1 A 44 44 LYS H H 44 8.689 8.753 -0.064 1 1 530 . 14 1 1 A 44 44 LYS HA H 44 3.920 3.921 -0.001 1 1 539 . 14 1 1 A 44 44 LYS C C 44 175.450 176.115 -0.665 1 1 540 . 14 1 1 A 44 44 LYS CA C 44 58.730 58.510 0.220 1 1 541 . 14 1 1 A 44 44 LYS CB C 44 31.707 31.176 0.531 1 1 545 . 14 1 1 A 44 44 LYS N N 44 113.360 122.148 -8.788 1 1 546 . 14 1 1 A 45 45 ASP H H 45 8.178 8.298 -0.120 1 1 547 . 14 1 1 A 45 45 ASP HA H 45 4.930 4.635 0.295 1 1 550 . 14 1 1 A 45 45 ASP C C 45 176.710 176.685 0.025 1 1 551 . 14 1 1 A 45 45 ASP CA C 45 54.501 52.986 1.515 1 1 552 . 14 1 1 A 45 45 ASP CB C 45 42.260 40.230 2.030 1 1 553 . 14 1 1 A 45 45 ASP N N 45 119.050 120.679 -1.629 1 1 554 . 14 1 1 A 46 46 GLY H H 46 8.853 8.031 0.822 1 1 555 . 14 1 1 A 46 46 GLY HA2 H 46 4.120 4.116 0.004 1 1 556 . 14 1 1 A 46 46 GLY HA3 H 46 3.350 4.163 -0.813 1 1 557 . 14 1 1 A 46 46 GLY C C 46 173.020 174.613 -1.593 1 1 558 . 14 1 1 A 46 46 GLY CA C 46 45.510 45.003 0.507 1 1 559 . 14 1 1 A 46 46 GLY N N 46 110.250 108.142 2.108 1 1 560 . 14 1 1 A 47 47 LYS H H 47 8.640 7.768 0.872 1 1 561 . 14 1 1 A 47 47 LYS HA H 47 4.320 4.296 0.024 1 1 570 . 14 1 1 A 47 47 LYS C C 47 176.180 175.409 0.771 1 1 571 . 14 1 1 A 47 47 LYS CA C 47 57.200 56.532 0.668 1 1 572 . 14 1 1 A 47 47 LYS CB C 47 32.300 33.858 -1.558 1 1 576 . 14 1 1 A 47 47 LYS N N 47 123.450 120.597 2.853 1 1 577 . 14 1 1 A 48 48 GLU H H 48 8.510 8.960 -0.450 1 1 578 . 14 1 1 A 48 48 GLU HA H 48 4.914 4.997 -0.083 1 1 583 . 14 1 1 A 48 48 GLU C C 48 176.545 174.999 1.546 1 1 584 . 14 1 1 A 48 48 GLU CA C 48 55.540 54.608 0.932 1 1 585 . 14 1 1 A 48 48 GLU CB C 48 32.850 32.652 0.198 1 1 587 . 14 1 1 A 48 48 GLU N N 48 123.300 118.251 5.049 1 1 588 . 14 1 1 A 49 49 LYS H H 49 8.304 8.872 -0.568 1 1 589 . 14 1 1 A 49 49 LYS HA H 49 4.080 4.901 -0.821 1 1 598 . 14 1 1 A 49 49 LYS C C 49 173.870 175.788 -1.918 1 1 599 . 14 1 1 A 49 49 LYS CA C 49 54.797 54.692 0.105 1 1 600 . 14 1 1 A 49 49 LYS CB C 49 36.248 35.504 0.744 1 1 604 . 14 1 1 A 49 49 LYS N N 49 123.450 125.042 -1.592 1 1 605 . 14 1 1 A 50 50 GLU H H 50 8.377 8.575 -0.198 1 1 606 . 14 1 1 A 50 50 GLU HA H 50 4.298 4.688 -0.390 1 1 611 . 14 1 1 A 50 50 GLU C C 50 175.090 175.539 -0.449 1 1 612 . 14 1 1 A 50 50 GLU CA C 50 56.950 56.272 0.678 1 1 613 . 14 1 1 A 50 50 GLU CB C 50 29.872 30.557 -0.685 1 1 615 . 14 1 1 A 50 50 GLU N N 50 127.100 122.020 5.080 1 1 616 . 14 1 1 A 51 51 LEU H H 51 8.934 9.377 -0.443 1 1 617 . 14 1 1 A 51 51 LEU HA H 51 4.517 5.045 -0.528 1 1 627 . 14 1 1 A 51 51 LEU C C 51 174.890 175.498 -0.608 1 1 628 . 14 1 1 A 51 51 LEU CA C 51 53.817 53.447 0.370 1 1 629 . 14 1 1 A 51 51 LEU CB C 51 45.254 43.367 1.887 1 1 633 . 14 1 1 A 51 51 LEU N N 51 127.790 127.358 0.432 1 1 634 . 14 1 1 A 52 52 GLU H H 52 8.360 9.105 -0.745 1 1 635 . 14 1 1 A 52 52 GLU HA H 52 5.417 5.483 -0.066 1 1 640 . 14 1 1 A 52 52 GLU C C 52 174.890 175.581 -0.691 1 1 641 . 14 1 1 A 52 52 GLU CA C 52 54.519 54.852 -0.333 1 1 642 . 14 1 1 A 52 52 GLU CB C 52 32.500 32.126 0.374 1 1 644 . 14 1 1 A 52 52 GLU N N 52 121.180 122.481 -1.301 1 1 645 . 14 1 1 A 53 53 PHE H H 53 8.465 8.456 0.009 1 1 646 . 14 1 1 A 53 53 PHE HA H 53 5.130 5.847 -0.717 1 1 654 . 14 1 1 A 53 53 PHE C C 53 172.660 173.726 -1.066 1 1 655 . 14 1 1 A 53 53 PHE CA C 53 56.508 55.447 1.061 1 1 656 . 14 1 1 A 53 53 PHE CB C 53 40.095 42.612 -2.517 1 1 662 . 14 1 1 A 53 53 PHE N N 53 118.940 119.253 -0.313 1 1 663 . 14 1 1 A 54 54 THR H H 54 8.622 9.022 -0.400 1 1 664 . 14 1 1 A 54 54 THR HA H 54 5.530 4.921 0.609 1 1 669 . 14 1 1 A 54 54 THR C C 54 173.470 174.203 -0.733 1 1 670 . 14 1 1 A 54 54 THR CA C 54 60.148 60.918 -0.770 1 1 671 . 14 1 1 A 54 54 THR CB C 54 71.820 69.988 1.832 1 1 673 . 14 1 1 A 54 54 THR N N 54 112.280 114.412 -2.132 1 1 674 . 14 1 1 A 55 55 ALA H H 55 9.710 8.937 0.773 1 1 675 . 14 1 1 A 55 55 ALA HA H 55 5.354 5.220 0.134 1 1 679 . 14 1 1 A 55 55 ALA C C 55 176.720 178.394 -1.674 1 1 680 . 14 1 1 A 55 55 ALA CA C 55 50.568 50.869 -0.301 1 1 681 . 14 1 1 A 55 55 ALA CB C 55 24.180 20.906 3.274 1 1 682 . 14 1 1 A 55 55 ALA N N 55 126.340 130.005 -3.665 1 1 683 . 14 1 1 A 56 56 GLN H H 56 9.130 8.932 0.198 1 1 684 . 14 1 1 A 56 56 GLN HA H 56 5.030 4.336 0.694 1 1 691 . 14 1 1 A 56 56 GLN C C 56 174.960 176.037 -1.077 1 1 692 . 14 1 1 A 56 56 GLN CA C 56 56.820 57.881 -1.061 1 1 693 . 14 1 1 A 56 56 GLN CB C 56 29.180 29.011 0.169 1 1 695 . 14 1 1 A 56 56 GLN N N 56 118.540 121.745 -3.205 1 1 697 . 14 1 1 A 57 57 LYS H H 57 7.656 7.989 -0.333 1 1 698 . 14 1 1 A 57 57 LYS HA H 57 4.360 4.954 -0.594 1 1 707 . 14 1 1 A 57 57 LYS C C 57 172.490 174.266 -1.776 1 1 708 . 14 1 1 A 57 57 LYS CA C 57 54.351 55.193 -0.842 1 1 709 . 14 1 1 A 57 57 LYS CB C 57 35.360 34.852 0.508 1 1 713 . 14 1 1 A 57 57 LYS N N 57 116.270 115.866 0.404 1 1 714 . 14 1 1 A 58 58 ASN H H 58 7.709 8.683 -0.974 1 1 715 . 14 1 1 A 58 58 ASN HA H 58 4.000 5.536 -1.536 1 1 720 . 14 1 1 A 58 58 ASN C C 58 175.490 175.672 -0.182 1 1 721 . 14 1 1 A 58 58 ASN CA C 58 53.498 53.021 0.477 1 1 722 . 14 1 1 A 58 58 ASN CB C 58 38.538 39.905 -1.367 1 1 723 . 14 1 1 A 58 58 ASN N N 58 117.960 120.580 -2.620 1 1 725 . 14 1 1 A 59 59 LEU H H 59 7.940 8.905 -0.965 1 1 726 . 14 1 1 A 59 59 LEU HA H 59 3.950 4.922 -0.972 1 1 736 . 14 1 1 A 59 59 LEU C C 59 176.410 176.479 -0.069 1 1 737 . 14 1 1 A 59 59 LEU CA C 59 54.550 52.611 1.939 1 1 738 . 14 1 1 A 59 59 LEU CB C 59 42.370 43.887 -1.517 1 1 742 . 14 1 1 A 59 59 LEU N N 59 128.190 120.682 7.508 1 1 743 . 14 1 1 A 60 60 ARG H H 60 8.355 8.378 -0.023 1 1 744 . 14 1 1 A 60 60 ARG HA H 60 3.870 4.387 -0.517 1 1 752 . 14 1 1 A 60 60 ARG C C 60 175.350 175.782 -0.432 1 1 753 . 14 1 1 A 60 60 ARG CA C 60 56.695 55.911 0.784 1 1 754 . 14 1 1 A 60 60 ARG CB C 60 31.290 30.696 0.594 1 1 757 . 14 1 1 A 60 60 ARG N N 60 123.759 119.580 4.179 1 1 759 . 14 1 1 A 61 61 LYS H H 61 8.178 8.627 -0.449 1 1 760 . 14 1 1 A 61 61 LYS HA H 61 3.680 4.418 -0.738 1 1 769 . 14 1 1 A 61 61 LYS C C 61 177.290 176.517 0.773 1 1 770 . 14 1 1 A 61 61 LYS CA C 61 58.733 55.644 3.089 1 1 771 . 14 1 1 A 61 61 LYS CB C 61 31.564 33.481 -1.917 1 1 775 . 14 1 1 A 61 61 LYS N N 61 125.600 123.907 1.693 1 1 776 . 14 1 1 A 62 62 GLU H H 62 8.949 8.440 0.509 1 1 777 . 14 1 1 A 62 62 GLU HA H 62 3.340 3.774 -0.434 1 1 782 . 14 1 1 A 62 62 GLU C C 62 176.170 175.146 1.024 1 1 783 . 14 1 1 A 62 62 GLU CA C 62 59.156 57.760 1.396 1 1 784 . 14 1 1 A 62 62 GLU CB C 62 28.040 27.970 0.070 1 1 786 . 14 1 1 A 62 62 GLU N N 62 112.860 117.530 -4.670 1 1 787 . 14 1 1 A 63 63 ALA H H 63 7.604 7.631 -0.027 1 1 788 . 14 1 1 A 63 63 ALA HA H 63 4.020 4.386 -0.366 1 1 792 . 14 1 1 A 63 63 ALA C C 63 175.530 175.474 0.056 1 1 793 . 14 1 1 A 63 63 ALA CA C 63 53.074 50.730 2.344 1 1 794 . 14 1 1 A 63 63 ALA CB C 63 19.323 21.676 -2.353 1 1 795 . 14 1 1 A 63 63 ALA N N 63 122.700 121.170 1.530 1 1 796 . 14 1 1 A 64 64 PHE H H 64 8.876 8.161 0.715 1 1 797 . 14 1 1 A 64 64 PHE HA H 64 5.470 5.788 -0.318 1 1 802 . 14 1 1 A 64 64 PHE C C 64 175.480 175.332 0.148 1 1 803 . 14 1 1 A 64 64 PHE CA C 64 56.780 56.002 0.778 1 1 804 . 14 1 1 A 64 64 PHE CB C 64 41.566 42.225 -0.659 1 1 807 . 14 1 1 A 64 64 PHE N N 64 118.670 115.856 2.814 1 1 808 . 14 1 1 A 65 65 LEU H H 65 8.870 9.212 -0.342 1 1 809 . 14 1 1 A 65 65 LEU HA H 65 5.390 5.228 0.162 1 1 819 . 14 1 1 A 65 65 LEU C C 65 176.030 175.902 0.128 1 1 820 . 14 1 1 A 65 65 LEU CA C 65 52.926 53.580 -0.654 1 1 821 . 14 1 1 A 65 65 LEU CB C 65 45.561 45.344 0.217 1 1 825 . 14 1 1 A 65 65 LEU N N 65 118.700 122.658 -3.958 1 1 826 . 14 1 1 A 66 66 ARG H H 66 9.031 8.876 0.155 1 1 827 . 14 1 1 A 66 66 ARG HA H 66 4.345 4.730 -0.385 1 1 835 . 14 1 1 A 66 66 ARG C C 66 174.220 174.985 -0.765 1 1 836 . 14 1 1 A 66 66 ARG CA C 66 54.957 55.914 -0.957 1 1 837 . 14 1 1 A 66 66 ARG CB C 66 32.885 30.047 2.838 1 1 840 . 14 1 1 A 66 66 ARG N N 66 121.590 124.657 -3.067 1 1 842 . 14 1 1 A 67 67 VAL H H 67 9.359 8.557 0.802 1 1 843 . 14 1 1 A 67 67 VAL HA H 67 4.400 4.486 -0.086 1 1 851 . 14 1 1 A 67 67 VAL C C 67 174.070 175.225 -1.155 1 1 852 . 14 1 1 A 67 67 VAL CA C 67 60.910 61.547 -0.637 1 1 853 . 14 1 1 A 67 67 VAL CB C 67 33.960 32.348 1.612 1 1 856 . 14 1 1 A 67 67 VAL N N 67 126.230 125.242 0.988 1 1 857 . 14 1 1 A 68 68 TYR H H 68 8.710 8.961 -0.251 1 1 858 . 14 1 1 A 68 68 TYR HA H 68 5.070 4.715 0.355 1 1 865 . 14 1 1 A 68 68 TYR C C 68 175.390 174.294 1.096 1 1 866 . 14 1 1 A 68 68 TYR CA C 68 57.290 58.429 -1.139 1 1 867 . 14 1 1 A 68 68 TYR CB C 68 38.690 38.811 -0.121 1 1 872 . 14 1 1 A 68 68 TYR N N 68 125.200 128.597 -3.397 1 1 873 . 14 1 1 A 69 69 HIS H H 69 9.224 8.055 1.169 1 1 874 . 14 1 1 A 69 69 HIS HA H 69 5.200 5.414 -0.214 1 1 879 . 14 1 1 A 69 69 HIS C C 69 173.600 173.680 -0.080 1 1 880 . 14 1 1 A 69 69 HIS CA C 69 56.502 53.954 2.548 1 1 881 . 14 1 1 A 69 69 HIS CB C 69 35.873 31.522 4.351 1 1 884 . 14 1 1 A 69 69 HIS N N 69 124.780 128.930 -4.150 1 1 885 . 14 1 1 A 70 70 SER H H 70 7.425 8.649 -1.224 1 1 886 . 14 1 1 A 70 70 SER HA H 70 4.800 4.356 0.444 1 1 889 . 14 1 1 A 70 70 SER C C 70 173.790 174.792 -1.002 1 1 890 . 14 1 1 A 70 70 SER CA C 70 56.840 56.983 -0.143 1 1 891 . 14 1 1 A 70 70 SER CB C 70 66.500 64.987 1.513 1 1 892 . 14 1 1 A 70 70 SER N N 70 118.910 123.204 -4.294 1 1 893 . 14 1 1 A 71 71 ASP H H 71 9.020 8.983 0.037 1 1 894 . 14 1 1 A 71 71 ASP HA H 71 4.390 4.276 0.114 1 1 897 . 14 1 1 A 71 71 ASP C C 71 178.030 178.389 -0.359 1 1 898 . 14 1 1 A 71 71 ASP CA C 71 57.220 56.996 0.224 1 1 899 . 14 1 1 A 71 71 ASP CB C 71 40.622 39.985 0.637 1 1 900 . 14 1 1 A 71 71 ASP N N 71 123.340 122.367 0.973 1 1 901 . 14 1 1 A 72 72 LYS H H 72 8.220 8.238 -0.018 1 1 902 . 14 1 1 A 72 72 LYS HA H 72 4.123 4.045 0.078 1 1 911 . 14 1 1 A 72 72 LYS C C 72 177.560 177.745 -0.185 1 1 912 . 14 1 1 A 72 72 LYS CA C 72 58.383 59.064 -0.681 1 1 913 . 14 1 1 A 72 72 LYS CB C 72 32.778 32.274 0.504 1 1 917 . 14 1 1 A 72 72 LYS N N 72 116.640 117.797 -1.157 1 1 918 . 14 1 1 A 73 73 LYS H H 73 7.367 7.856 -0.489 1 1 919 . 14 1 1 A 73 73 LYS HA H 73 4.449 4.376 0.073 1 1 928 . 14 1 1 A 73 73 LYS C C 73 176.750 177.823 -1.073 1 1 929 . 14 1 1 A 73 73 LYS CA C 73 55.614 56.488 -0.874 1 1 930 . 14 1 1 A 73 73 LYS CB C 73 33.910 34.931 -1.021 1 1 934 . 14 1 1 A 73 73 LYS N N 73 115.780 118.019 -2.239 1 1 935 . 14 1 1 A 74 74 GLY H H 74 8.240 8.176 0.064 1 1 936 . 14 1 1 A 74 74 GLY HA2 H 74 3.630 3.933 -0.303 1 1 937 . 14 1 1 A 74 74 GLY HA3 H 74 4.240 3.945 0.295 1 1 938 . 14 1 1 A 74 74 GLY C C 74 174.817 174.989 -0.172 1 1 939 . 14 1 1 A 74 74 GLY CA C 74 45.075 47.045 -1.970 1 1 940 . 14 1 1 A 74 74 GLY N N 74 110.370 108.542 1.828 1 1 941 . 14 1 1 A 75 75 VAL H H 75 9.140 8.083 1.057 1 1 942 . 14 1 1 A 75 75 VAL HA H 75 4.640 4.140 0.500 1 1 950 . 14 1 1 A 75 75 VAL C C 75 177.000 175.876 1.124 1 1 951 . 14 1 1 A 75 75 VAL CA C 75 63.550 63.153 0.397 1 1 952 . 14 1 1 A 75 75 VAL CB C 75 32.237 30.071 2.166 1 1 955 . 14 1 1 A 75 75 VAL N N 75 124.300 119.731 4.569 1 1 956 . 14 1 1 A 76 76 SER H H 76 9.020 8.227 0.793 1 1 957 . 14 1 1 A 76 76 SER HA H 76 4.640 4.292 0.348 1 1 960 . 14 1 1 A 76 76 SER C C 76 174.250 174.711 -0.461 1 1 961 . 14 1 1 A 76 76 SER CA C 76 58.440 61.228 -2.788 1 1 962 . 14 1 1 A 76 76 SER CB C 76 64.550 62.876 1.674 1 1 963 . 14 1 1 A 76 76 SER N N 76 122.490 116.402 6.088 1 1 964 . 14 1 1 A 77 77 ALA H H 77 7.890 7.523 0.367 1 1 965 . 14 1 1 A 77 77 ALA HA H 77 4.420 4.507 -0.087 1 1 969 . 14 1 1 A 77 77 ALA C C 77 174.430 175.260 -0.830 1 1 970 . 14 1 1 A 77 77 ALA CA C 77 51.940 51.452 0.488 1 1 971 . 14 1 1 A 77 77 ALA CB C 77 22.234 21.875 0.359 1 1 972 . 14 1 1 A 77 77 ALA N N 77 122.930 118.654 4.276 1 1 973 . 14 1 1 A 78 78 TRP H H 78 7.776 8.150 -0.374 1 1 974 . 14 1 1 A 78 78 TRP HA H 78 5.690 6.135 -0.445 1 1 982 . 14 1 1 A 78 78 TRP C C 78 174.450 175.230 -0.780 1 1 983 . 14 1 1 A 78 78 TRP CA C 78 55.899 54.763 1.136 1 1 984 . 14 1 1 A 78 78 TRP CB C 78 32.602 32.192 0.410 1 1 989 . 14 1 1 A 78 78 TRP N N 78 114.705 119.853 -5.148 1 1 991 . 14 1 1 A 79 79 GLU H H 79 9.210 8.645 0.565 1 1 992 . 14 1 1 A 79 79 GLU HA H 79 4.730 4.884 -0.154 1 1 997 . 14 1 1 A 79 79 GLU C C 79 174.130 175.161 -1.031 1 1 998 . 14 1 1 A 79 79 GLU CA C 79 54.939 54.550 0.389 1 1 999 . 14 1 1 A 79 79 GLU CB C 79 31.656 33.114 -1.458 1 1 1001 . 14 1 1 A 79 79 GLU N N 79 114.860 123.087 -8.227 1 1 1002 . 14 1 1 A 80 80 GLU H H 80 9.120 8.727 0.393 1 1 1003 . 14 1 1 A 80 80 GLU HA H 80 5.030 4.660 0.370 1 1 1008 . 14 1 1 A 80 80 GLU C C 80 176.580 175.993 0.587 1 1 1009 . 14 1 1 A 80 80 GLU CA C 80 57.193 55.883 1.310 1 1 1010 . 14 1 1 A 80 80 GLU CB C 80 29.856 29.908 -0.052 1 1 1012 . 14 1 1 A 80 80 GLU N N 80 123.960 123.893 0.067 1 1 1013 . 14 1 1 A 81 81 VAL H H 81 8.694 8.858 -0.164 1 1 1014 . 14 1 1 A 81 81 VAL HA H 81 4.780 5.037 -0.257 1 1 1022 . 14 1 1 A 81 81 VAL C C 81 174.460 175.337 -0.877 1 1 1023 . 14 1 1 A 81 81 VAL CA C 81 58.927 60.167 -1.240 1 1 1024 . 14 1 1 A 81 81 VAL CB C 81 35.550 33.860 1.690 1 1 1027 . 14 1 1 A 81 81 VAL N N 81 118.990 123.227 -4.237 1 1 1028 . 14 1 1 A 82 82 LYS H H 82 8.708 8.747 -0.039 1 1 1029 . 14 1 1 A 82 82 LYS HA H 82 4.580 4.980 -0.400 1 1 1038 . 14 1 1 A 82 82 LYS C C 82 178.380 177.759 0.621 1 1 1039 . 14 1 1 A 82 82 LYS CA C 82 55.212 54.608 0.604 1 1 1040 . 14 1 1 A 82 82 LYS CB C 82 33.689 34.858 -1.169 1 1 1044 . 14 1 1 A 82 82 LYS N N 82 120.850 122.946 -2.096 1 1 1045 . 14 1 1 A 83 83 LYS H H 83 8.870 9.235 -0.365 1 1 1046 . 14 1 1 A 83 83 LYS HA H 83 3.180 4.017 -0.837 1 1 1055 . 14 1 1 A 83 83 LYS C C 83 177.690 177.839 -0.149 1 1 1056 . 14 1 1 A 83 83 LYS CA C 83 59.370 58.570 0.800 1 1 1057 . 14 1 1 A 83 83 LYS CB C 83 32.209 31.959 0.250 1 1 1061 . 14 1 1 A 83 83 LYS N N 83 121.435 121.320 0.115 1 1 1062 . 14 1 1 A 84 84 ASP H H 84 8.059 8.272 -0.213 1 1 1063 . 14 1 1 A 84 84 ASP HA H 84 4.220 4.374 -0.154 1 1 1066 . 14 1 1 A 84 84 ASP C C 84 177.100 177.978 -0.878 1 1 1067 . 14 1 1 A 84 84 ASP CA C 84 55.680 57.347 -1.667 1 1 1068 . 14 1 1 A 84 84 ASP CB C 84 40.392 40.172 0.220 1 1 1069 . 14 1 1 A 84 84 ASP N N 84 112.520 119.467 -6.947 1 1 1070 . 14 1 1 A 85 85 GLU H H 85 7.686 7.936 -0.250 1 1 1071 . 14 1 1 A 85 85 GLU HA H 85 4.136 4.362 -0.226 1 1 1076 . 14 1 1 A 85 85 GLU C C 85 176.270 176.270 0.000 1 1 1077 . 14 1 1 A 85 85 GLU CA C 85 56.133 56.459 -0.326 1 1 1078 . 14 1 1 A 85 85 GLU CB C 85 30.479 29.174 1.305 1 1 1080 . 14 1 1 A 85 85 GLU N N 85 116.930 114.512 2.418 1 1 1081 . 14 1 1 A 86 86 LEU H H 86 7.017 7.103 -0.086 1 1 1082 . 14 1 1 A 86 86 LEU HA H 86 3.710 4.306 -0.596 1 1 1092 . 14 1 1 A 86 86 LEU CA C 86 52.600 52.192 0.408 1 1 1093 . 14 1 1 A 86 86 LEU CB C 86 42.120 41.566 0.554 1 1 1097 . 14 1 1 A 86 86 LEU N N 86 119.530 124.465 -4.935 1 1 1098 . 14 1 1 A 87 87 PRO HA H 87 4.330 4.609 -0.279 1 1 1105 . 14 1 1 A 87 87 PRO C C 87 176.940 177.894 -0.954 1 1 1106 . 14 1 1 A 87 87 PRO CA C 87 62.400 62.802 -0.402 1 1 1107 . 14 1 1 A 87 87 PRO CB C 87 32.537 31.779 0.758 1 1 1110 . 14 1 1 A 88 88 ALA H H 88 8.943 8.618 0.325 1 1 1111 . 14 1 1 A 88 88 ALA HA H 88 3.780 3.949 -0.169 1 1 1115 . 14 1 1 A 88 88 ALA C C 88 180.520 179.694 0.826 1 1 1116 . 14 1 1 A 88 88 ALA CA C 88 56.911 55.293 1.618 1 1 1117 . 14 1 1 A 88 88 ALA CB C 88 18.502 18.475 0.027 1 1 1118 . 14 1 1 A 88 88 ALA N N 88 128.160 127.661 0.499 1 1 1119 . 14 1 1 A 89 89 LYS H H 89 9.270 8.040 1.230 1 1 1120 . 14 1 1 A 89 89 LYS HA H 89 3.990 4.048 -0.058 1 1 1129 . 14 1 1 A 89 89 LYS C C 89 179.070 179.843 -0.773 1 1 1130 . 14 1 1 A 89 89 LYS CA C 89 58.648 59.133 -0.485 1 1 1131 . 14 1 1 A 89 89 LYS CB C 89 31.962 32.259 -0.297 1 1 1135 . 14 1 1 A 89 89 LYS N N 89 115.610 117.293 -1.683 1 1 1136 . 14 1 1 A 90 90 VAL H H 90 6.846 8.134 -1.288 1 1 1137 . 14 1 1 A 90 90 VAL HA H 90 3.230 3.807 -0.577 1 1 1145 . 14 1 1 A 90 90 VAL C C 90 177.100 176.973 0.127 1 1 1146 . 14 1 1 A 90 90 VAL CA C 90 65.870 64.156 1.714 1 1 1147 . 14 1 1 A 90 90 VAL CB C 90 30.880 31.386 -0.506 1 1 1150 . 14 1 1 A 90 90 VAL N N 90 117.560 119.427 -1.867 1 1 1151 . 14 1 1 A 91 91 LYS H H 91 7.850 7.599 0.251 1 1 1152 . 14 1 1 A 91 91 LYS HA H 91 3.430 4.167 -0.737 1 1 1161 . 14 1 1 A 91 91 LYS C C 91 178.420 179.066 -0.646 1 1 1162 . 14 1 1 A 91 91 LYS CA C 91 61.028 58.566 2.462 1 1 1163 . 14 1 1 A 91 91 LYS CB C 91 32.387 33.038 -0.651 1 1 1167 . 14 1 1 A 91 91 LYS N N 91 118.750 121.300 -2.550 1 1 1168 . 14 1 1 A 92 92 GLU H H 92 7.282 8.431 -1.149 1 1 1169 . 14 1 1 A 92 92 GLU HA H 92 3.990 4.069 -0.079 1 1 1174 . 14 1 1 A 92 92 GLU C C 92 179.380 178.629 0.751 1 1 1175 . 14 1 1 A 92 92 GLU CA C 92 59.030 58.830 0.200 1 1 1176 . 14 1 1 A 92 92 GLU CB C 92 29.841 29.410 0.431 1 1 1178 . 14 1 1 A 92 92 GLU N N 92 115.375 119.234 -3.859 1 1 1179 . 14 1 1 A 93 93 LYS H H 93 7.343 7.763 -0.420 1 1 1180 . 14 1 1 A 93 93 LYS HA H 93 3.800 4.200 -0.400 1 1 1189 . 14 1 1 A 93 93 LYS C C 93 178.310 176.217 2.093 1 1 1190 . 14 1 1 A 93 93 LYS CA C 93 56.970 58.555 -1.585 1 1 1191 . 14 1 1 A 93 93 LYS CB C 93 30.740 33.317 -2.577 1 1 1195 . 14 1 1 A 93 93 LYS N N 93 118.370 117.688 0.682 1 1 1196 . 14 1 1 A 94 94 LEU H H 94 8.000 7.911 0.089 1 1 1197 . 14 1 1 A 94 94 LEU HA H 94 4.360 4.627 -0.267 1 1 1207 . 14 1 1 A 94 94 LEU C C 94 177.350 176.254 1.096 1 1 1208 . 14 1 1 A 94 94 LEU CA C 94 54.765 55.672 -0.907 1 1 1209 . 14 1 1 A 94 94 LEU CB C 94 42.796 41.621 1.175 1 1 1213 . 14 1 1 A 94 94 LEU N N 94 115.600 119.645 -4.045 1 1 1214 . 14 1 1 A 95 95 GLY H H 95 7.601 8.426 -0.825 1 1 1215 . 14 1 1 A 95 95 GLY HA2 H 95 3.830 3.794 0.036 1 1 1216 . 14 1 1 A 95 95 GLY HA3 H 95 3.950 3.816 0.134 1 1 1217 . 14 1 1 A 95 95 GLY C C 95 174.790 173.850 0.940 1 1 1218 . 14 1 1 A 95 95 GLY CA C 95 46.550 46.506 0.044 1 1 1219 . 14 1 1 A 95 95 GLY N N 95 108.540 113.698 -5.158 1 1 1220 . 14 1 1 A 96 96 VAL H H 96 7.957 7.704 0.253 1 1 1221 . 14 1 1 A 96 96 VAL HA H 96 3.940 4.599 -0.659 1 1 1229 . 14 1 1 A 96 96 VAL C C 96 175.540 174.964 0.576 1 1 1230 . 14 1 1 A 96 96 VAL CA C 96 62.314 59.963 2.351 1 1 1231 . 14 1 1 A 96 96 VAL CB C 96 32.155 34.098 -1.943 1 1 1234 . 14 1 1 A 96 96 VAL N N 96 119.490 116.655 2.835 1 1 1235 . 14 1 1 A 97 97 LYS H H 97 8.293 8.250 0.043 1 1 1236 . 14 1 1 A 97 97 LYS HA H 97 4.210 4.528 -0.318 1 1 1245 . 14 1 1 A 97 97 LYS C C 97 176.290 176.017 0.273 1 1 1246 . 14 1 1 A 97 97 LYS CA C 97 56.174 56.475 -0.301 1 1 1247 . 14 1 1 A 97 97 LYS CB C 97 33.200 32.560 0.640 1 1 1251 . 14 1 1 A 97 97 LYS N N 97 126.120 122.420 3.700 1 1 1252 . 14 1 1 A 98 98 LEU H H 98 8.315 8.374 -0.059 1 1 1253 . 14 1 1 A 98 98 LEU HA H 98 4.240 4.229 0.011 1 1 1263 . 14 1 1 A 98 98 LEU C C 98 176.930 176.000 0.930 1 1 1264 . 14 1 1 A 98 98 LEU CA C 98 54.800 55.163 -0.363 1 1 1265 . 14 1 1 A 98 98 LEU CB C 98 42.217 42.573 -0.356 1 1 1269 . 14 1 1 A 98 98 LEU N N 98 124.170 123.487 0.683 1 1 1270 . 14 1 1 A 99 99 GLU H H 99 8.375 8.451 -0.076 1 1 1271 . 14 1 1 A 99 99 GLU HA H 99 4.175 4.563 -0.388 1 1 1276 . 14 1 1 A 99 99 GLU C C 99 176.035 175.654 0.381 1 1 1277 . 14 1 1 A 99 99 GLU CA C 99 56.352 56.520 -0.168 1 1 1278 . 14 1 1 A 99 99 GLU CB C 99 30.460 30.797 -0.337 1 1 1280 . 14 1 1 A 99 99 GLU N N 99 122.010 123.339 -1.329 1 1 1281 . 14 1 1 A 100 100 HIS H H 100 8.350 8.866 -0.516 1 1 1282 . 14 1 1 A 100 100 HIS HA H 100 4.565 4.458 0.107 1 1 1285 . 14 1 1 A 100 100 HIS C C 100 173.880 175.665 -1.785 1 1 1286 . 14 1 1 A 100 100 HIS CA C 100 56.050 56.356 -0.306 1 1 1287 . 14 1 1 A 100 100 HIS CB C 100 30.144 30.541 -0.397 1 1 1288 . 14 1 1 A 100 100 HIS N N 100 120.245 122.987 -2.742 1 1 1289 . 14 1 1 A 101 101 HIS H H 101 8.134 8.066 0.068 1 1 1290 . 14 1 1 A 101 101 HIS HA H 101 4.410 4.394 0.016 1 1 1293 . 14 1 1 A 101 101 HIS CA C 101 57.290 57.591 -0.301 1 1 1294 . 14 1 1 A 101 101 HIS CB C 101 31.450 29.423 2.027 1 1 1 . 15 1 1 A 2 2 ASP HA H 2 4.670 5.295 -0.625 1 1 4 . 15 1 1 A 2 2 ASP C C 2 176.480 175.979 0.501 1 1 5 . 15 1 1 A 2 2 ASP CA C 2 53.400 52.363 1.037 1 1 6 . 15 1 1 A 2 2 ASP CB C 2 41.170 44.948 -3.778 1 1 7 . 15 1 1 A 3 3 LEU H H 3 8.650 8.482 0.168 1 1 8 . 15 1 1 A 3 3 LEU HA H 3 4.116 4.599 -0.483 1 1 18 . 15 1 1 A 3 3 LEU C C 3 177.880 178.392 -0.512 1 1 19 . 15 1 1 A 3 3 LEU CA C 3 56.390 55.016 1.374 1 1 20 . 15 1 1 A 3 3 LEU CB C 3 41.660 42.128 -0.468 1 1 24 . 15 1 1 A 3 3 LEU N N 3 125.300 119.042 6.258 1 1 25 . 15 1 1 A 4 4 ASN H H 4 8.370 8.015 0.355 1 1 26 . 15 1 1 A 4 4 ASN HA H 4 4.490 4.554 -0.064 1 1 31 . 15 1 1 A 4 4 ASN C C 4 175.050 177.224 -2.174 1 1 32 . 15 1 1 A 4 4 ASN CA C 4 54.320 55.705 -1.385 1 1 33 . 15 1 1 A 4 4 ASN CB C 4 38.240 38.735 -0.495 1 1 34 . 15 1 1 A 4 4 ASN N N 4 116.550 118.123 -1.573 1 1 36 . 15 1 1 A 5 5 ARG H H 5 7.645 8.147 -0.502 1 1 37 . 15 1 1 A 5 5 ARG HA H 5 3.920 4.361 -0.441 1 1 45 . 15 1 1 A 5 5 ARG C C 5 176.030 176.910 -0.880 1 1 46 . 15 1 1 A 5 5 ARG CA C 5 56.180 57.588 -1.408 1 1 47 . 15 1 1 A 5 5 ARG CB C 5 31.570 31.287 0.283 1 1 50 . 15 1 1 A 5 5 ARG N N 5 118.590 117.086 1.504 1 1 52 . 15 1 1 A 6 6 MET H H 6 7.809 7.853 -0.044 1 1 53 . 15 1 1 A 6 6 MET HA H 6 4.355 4.391 -0.036 1 1 58 . 15 1 1 A 6 6 MET C C 6 176.940 174.803 2.137 1 1 59 . 15 1 1 A 6 6 MET CA C 6 56.290 57.647 -1.357 1 1 60 . 15 1 1 A 6 6 MET CB C 6 33.020 31.386 1.634 1 1 62 . 15 1 1 A 6 6 MET N N 6 120.180 117.496 2.684 1 1 63 . 15 1 1 A 7 7 GLY H H 7 8.906 8.426 0.480 1 1 64 . 15 1 1 A 7 7 GLY HA2 H 7 3.870 4.155 -0.285 1 1 65 . 15 1 1 A 7 7 GLY HA3 H 7 3.950 4.157 -0.207 1 1 66 . 15 1 1 A 7 7 GLY C C 7 174.280 172.184 2.096 1 1 67 . 15 1 1 A 7 7 GLY CA C 7 46.110 45.833 0.277 1 1 68 . 15 1 1 A 7 7 GLY N N 7 112.660 108.475 4.185 1 1 69 . 15 1 1 A 8 8 LYS H H 8 7.819 8.695 -0.876 1 1 70 . 15 1 1 A 8 8 LYS HA H 8 4.550 4.610 -0.060 1 1 79 . 15 1 1 A 8 8 LYS C C 8 176.060 175.207 0.853 1 1 80 . 15 1 1 A 8 8 LYS CA C 8 54.444 55.404 -0.960 1 1 81 . 15 1 1 A 8 8 LYS CB C 8 33.760 31.679 2.081 1 1 85 . 15 1 1 A 8 8 LYS N N 8 119.130 125.352 -6.222 1 1 86 . 15 1 1 A 9 9 ASP H H 9 8.790 8.532 0.258 1 1 87 . 15 1 1 A 9 9 ASP HA H 9 4.730 4.658 0.072 1 1 90 . 15 1 1 A 9 9 ASP C C 9 174.530 176.015 -1.485 1 1 91 . 15 1 1 A 9 9 ASP CA C 9 54.560 54.231 0.329 1 1 92 . 15 1 1 A 9 9 ASP CB C 9 42.530 41.167 1.363 1 1 93 . 15 1 1 A 9 9 ASP N N 9 121.550 124.491 -2.941 1 1 94 . 15 1 1 A 10 10 GLU H H 10 7.950 8.852 -0.902 1 1 95 . 15 1 1 A 10 10 GLU HA H 10 4.570 5.244 -0.674 1 1 100 . 15 1 1 A 10 10 GLU C C 10 174.080 174.308 -0.228 1 1 101 . 15 1 1 A 10 10 GLU CA C 10 54.640 54.609 0.031 1 1 102 . 15 1 1 A 10 10 GLU CB C 10 31.380 32.759 -1.379 1 1 104 . 15 1 1 A 10 10 GLU N N 10 119.640 118.909 0.731 1 1 105 . 15 1 1 A 11 11 TYR H H 11 8.767 9.278 -0.511 1 1 106 . 15 1 1 A 11 11 TYR HA H 11 4.555 5.415 -0.860 1 1 113 . 15 1 1 A 11 11 TYR C C 11 173.480 174.545 -1.065 1 1 114 . 15 1 1 A 11 11 TYR CA C 11 56.360 56.432 -0.072 1 1 115 . 15 1 1 A 11 11 TYR CB C 11 43.860 41.235 2.625 1 1 120 . 15 1 1 A 11 11 TYR N N 11 120.960 122.531 -1.571 1 1 121 . 15 1 1 A 12 12 TYR H H 12 9.290 9.120 0.170 1 1 122 . 15 1 1 A 12 12 TYR HA H 12 5.730 5.273 0.457 1 1 129 . 15 1 1 A 12 12 TYR C C 12 175.700 176.056 -0.356 1 1 130 . 15 1 1 A 12 12 TYR CA C 12 56.680 57.381 -0.701 1 1 131 . 15 1 1 A 12 12 TYR CB C 12 42.180 38.229 3.951 1 1 136 . 15 1 1 A 12 12 TYR N N 12 118.880 122.443 -3.563 1 1 137 . 15 1 1 A 13 13 VAL H H 13 8.670 9.019 -0.349 1 1 138 . 15 1 1 A 13 13 VAL HA H 13 5.050 5.198 -0.148 1 1 146 . 15 1 1 A 13 13 VAL C C 13 174.820 174.935 -0.115 1 1 147 . 15 1 1 A 13 13 VAL CA C 13 58.130 60.087 -1.957 1 1 148 . 15 1 1 A 13 13 VAL CB C 13 35.890 34.222 1.668 1 1 151 . 15 1 1 A 13 13 VAL N N 13 112.280 119.596 -7.316 1 1 152 . 15 1 1 A 14 14 GLN H H 14 8.760 9.022 -0.262 1 1 153 . 15 1 1 A 14 14 GLN HA H 14 5.090 4.999 0.091 1 1 160 . 15 1 1 A 14 14 GLN C C 14 175.000 174.081 0.919 1 1 161 . 15 1 1 A 14 14 GLN CA C 14 53.520 53.690 -0.170 1 1 162 . 15 1 1 A 14 14 GLN CB C 14 31.250 32.286 -1.036 1 1 164 . 15 1 1 A 14 14 GLN N N 14 120.910 117.462 3.448 1 1 166 . 15 1 1 A 15 15 ILE H H 15 8.843 8.996 -0.153 1 1 167 . 15 1 1 A 15 15 ILE HA H 15 3.900 4.147 -0.247 1 1 177 . 15 1 1 A 15 15 ILE C C 15 177.090 176.530 0.560 1 1 178 . 15 1 1 A 15 15 ILE CA C 15 59.269 61.314 -2.045 1 1 179 . 15 1 1 A 15 15 ILE CB C 15 34.050 36.819 -2.769 1 1 183 . 15 1 1 A 15 15 ILE N N 15 125.520 123.850 1.670 1 1 184 . 15 1 1 A 16 16 THR H H 16 7.996 8.694 -0.698 1 1 185 . 15 1 1 A 16 16 THR HA H 16 4.540 4.426 0.114 1 1 190 . 15 1 1 A 16 16 THR C C 16 173.650 174.829 -1.179 1 1 191 . 15 1 1 A 16 16 THR CA C 16 61.180 62.847 -1.667 1 1 192 . 15 1 1 A 16 16 THR CB C 16 69.300 69.363 -0.063 1 1 194 . 15 1 1 A 16 16 THR N N 16 118.080 118.570 -0.490 1 1 195 . 15 1 1 A 17 17 VAL H H 17 7.240 7.658 -0.418 1 1 196 . 15 1 1 A 17 17 VAL HA H 17 4.659 4.257 0.402 1 1 204 . 15 1 1 A 17 17 VAL C C 17 175.135 175.416 -0.281 1 1 205 . 15 1 1 A 17 17 VAL CA C 17 58.870 61.372 -2.502 1 1 206 . 15 1 1 A 17 17 VAL CB C 17 36.070 32.998 3.072 1 1 209 . 15 1 1 A 17 17 VAL N N 17 113.230 119.108 -5.878 1 1 210 . 15 1 1 A 18 18 ASP H H 18 8.280 8.642 -0.362 1 1 211 . 15 1 1 A 18 18 ASP HA H 18 5.010 5.052 -0.042 1 1 214 . 15 1 1 A 18 18 ASP C C 18 177.350 175.414 1.936 1 1 215 . 15 1 1 A 18 18 ASP CA C 18 54.765 52.090 2.675 1 1 216 . 15 1 1 A 18 18 ASP CB C 18 42.120 44.031 -1.911 1 1 217 . 15 1 1 A 18 18 ASP N N 18 120.730 124.645 -3.915 1 1 218 . 15 1 1 A 19 19 GLY H H 19 8.951 8.381 0.570 1 1 219 . 15 1 1 A 19 19 GLY HA2 H 19 2.920 3.934 -1.014 1 1 220 . 15 1 1 A 19 19 GLY HA3 H 19 2.978 4.151 -1.173 1 1 221 . 15 1 1 A 19 19 GLY C C 19 172.450 174.608 -2.158 1 1 222 . 15 1 1 A 19 19 GLY CA C 19 45.370 45.847 -0.477 1 1 223 . 15 1 1 A 19 19 GLY N N 19 110.580 108.993 1.587 1 1 224 . 15 1 1 A 20 20 LYS H H 20 8.110 7.765 0.345 1 1 225 . 15 1 1 A 20 20 LYS HA H 20 4.374 4.388 -0.014 1 1 234 . 15 1 1 A 20 20 LYS C C 20 175.710 174.974 0.736 1 1 235 . 15 1 1 A 20 20 LYS CA C 20 54.800 55.017 -0.217 1 1 236 . 15 1 1 A 20 20 LYS CB C 20 33.240 30.679 2.561 1 1 240 . 15 1 1 A 20 20 LYS N N 20 124.290 120.997 3.293 1 1 241 . 15 1 1 A 21 21 GLU H H 21 8.710 8.284 0.426 1 1 242 . 15 1 1 A 21 21 GLU HA H 21 3.930 4.715 -0.785 1 1 247 . 15 1 1 A 21 21 GLU C C 21 175.960 177.058 -1.098 1 1 248 . 15 1 1 A 21 21 GLU CA C 21 56.940 56.106 0.834 1 1 249 . 15 1 1 A 21 21 GLU CB C 21 30.439 29.970 0.469 1 1 251 . 15 1 1 A 21 21 GLU N N 21 128.720 122.771 5.949 1 1 252 . 15 1 1 A 22 22 VAL H H 22 8.621 8.628 -0.007 1 1 253 . 15 1 1 A 22 22 VAL HA H 22 4.160 4.100 0.060 1 1 261 . 15 1 1 A 22 22 VAL C C 22 175.210 175.451 -0.241 1 1 262 . 15 1 1 A 22 22 VAL CA C 22 61.027 61.608 -0.581 1 1 263 . 15 1 1 A 22 22 VAL CB C 22 34.501 30.895 3.606 1 1 266 . 15 1 1 A 22 22 VAL N N 22 125.340 124.031 1.309 1 1 267 . 15 1 1 A 23 23 HIS H H 23 8.607 8.749 -0.142 1 1 268 . 15 1 1 A 23 23 HIS HA H 23 4.820 4.901 -0.081 1 1 273 . 15 1 1 A 23 23 HIS C C 23 175.040 174.463 0.577 1 1 274 . 15 1 1 A 23 23 HIS CA C 23 55.498 54.414 1.084 1 1 275 . 15 1 1 A 23 23 HIS CB C 23 30.660 29.669 0.991 1 1 278 . 15 1 1 A 23 23 HIS N N 23 124.000 124.073 -0.073 1 1 279 . 15 1 1 A 24 24 SER H H 24 8.480 7.761 0.719 1 1 280 . 15 1 1 A 24 24 SER HA H 24 4.480 4.325 0.155 1 1 283 . 15 1 1 A 24 24 SER C C 24 173.860 174.446 -0.586 1 1 284 . 15 1 1 A 24 24 SER CA C 24 57.690 56.978 0.712 1 1 285 . 15 1 1 A 24 24 SER CB C 24 64.580 61.939 2.641 1 1 286 . 15 1 1 A 24 24 SER N N 24 118.250 117.104 1.146 1 1 287 . 15 1 1 A 25 25 LYS H H 25 8.517 9.027 -0.510 1 1 288 . 15 1 1 A 25 25 LYS HA H 25 4.561 3.895 0.666 1 1 297 . 15 1 1 A 25 25 LYS C C 25 176.160 175.385 0.775 1 1 298 . 15 1 1 A 25 25 LYS CA C 25 56.255 57.350 -1.095 1 1 299 . 15 1 1 A 25 25 LYS CB C 25 33.714 31.537 2.177 1 1 303 . 15 1 1 A 25 25 LYS N N 25 122.750 126.738 -3.988 1 1 304 . 15 1 1 A 26 26 ALA H H 26 8.468 8.107 0.361 1 1 305 . 15 1 1 A 26 26 ALA HA H 26 4.470 4.022 0.448 1 1 309 . 15 1 1 A 26 26 ALA C C 26 177.950 176.419 1.531 1 1 310 . 15 1 1 A 26 26 ALA CA C 26 51.912 53.082 -1.170 1 1 311 . 15 1 1 A 26 26 ALA CB C 26 20.050 17.221 2.829 1 1 312 . 15 1 1 A 26 26 ALA N N 26 125.370 116.690 8.680 1 1 313 . 15 1 1 A 27 27 ASP H H 27 8.509 7.994 0.515 1 1 314 . 15 1 1 A 27 27 ASP HA H 27 4.460 4.562 -0.102 1 1 317 . 15 1 1 A 27 27 ASP C C 27 176.480 176.185 0.295 1 1 318 . 15 1 1 A 27 27 ASP CA C 27 55.490 53.975 1.515 1 1 319 . 15 1 1 A 27 27 ASP CB C 27 40.771 40.721 0.050 1 1 320 . 15 1 1 A 27 27 ASP N N 27 120.380 118.110 2.270 1 1 321 . 15 1 1 A 28 28 ASN H H 28 8.193 8.282 -0.089 1 1 322 . 15 1 1 A 28 28 ASN HA H 28 4.620 4.865 -0.245 1 1 327 . 15 1 1 A 28 28 ASN C C 28 176.310 175.791 0.519 1 1 328 . 15 1 1 A 28 28 ASN CA C 28 53.050 54.339 -1.289 1 1 329 . 15 1 1 A 28 28 ASN CB C 28 38.080 41.349 -3.269 1 1 330 . 15 1 1 A 28 28 ASN N N 28 117.470 124.141 -6.671 1 1 332 . 15 1 1 A 29 29 GLY H H 29 8.359 7.811 0.548 1 1 333 . 15 1 1 A 29 29 GLY HA2 H 29 4.110 4.018 0.092 1 1 334 . 15 1 1 A 29 29 GLY HA3 H 29 3.720 4.021 -0.301 1 1 335 . 15 1 1 A 29 29 GLY C C 29 174.365 174.388 -0.023 1 1 336 . 15 1 1 A 29 29 GLY CA C 29 45.688 45.399 0.289 1 1 337 . 15 1 1 A 29 29 GLY N N 29 108.230 107.316 0.914 1 1 338 . 15 1 1 A 30 30 GLN H H 30 7.920 7.781 0.139 1 1 339 . 15 1 1 A 30 30 GLN HA H 30 4.200 4.429 -0.229 1 1 346 . 15 1 1 A 30 30 GLN C C 30 174.330 175.079 -0.749 1 1 347 . 15 1 1 A 30 30 GLN CA C 30 56.210 54.366 1.844 1 1 348 . 15 1 1 A 30 30 GLN CB C 30 29.320 29.933 -0.613 1 1 350 . 15 1 1 A 30 30 GLN N N 30 119.670 121.341 -1.671 1 1 352 . 15 1 1 A 31 31 LYS H H 31 8.390 8.358 0.032 1 1 353 . 15 1 1 A 31 31 LYS HA H 31 4.490 4.465 0.025 1 1 362 . 15 1 1 A 31 31 LYS C C 31 176.052 175.127 0.925 1 1 363 . 15 1 1 A 31 31 LYS CA C 31 56.417 55.149 1.268 1 1 364 . 15 1 1 A 31 31 LYS CB C 31 33.414 32.023 1.391 1 1 368 . 15 1 1 A 31 31 LYS N N 31 121.950 125.652 -3.702 1 1 369 . 15 1 1 A 32 32 TYR H H 32 8.160 8.522 -0.362 1 1 370 . 15 1 1 A 32 32 TYR HA H 32 4.770 4.693 0.077 1 1 377 . 15 1 1 A 32 32 TYR C C 32 175.560 175.340 0.220 1 1 378 . 15 1 1 A 32 32 TYR CA C 32 56.300 59.145 -2.845 1 1 379 . 15 1 1 A 32 32 TYR CB C 32 40.074 39.900 0.174 1 1 384 . 15 1 1 A 32 32 TYR N N 32 119.960 125.403 -5.443 1 1 385 . 15 1 1 A 33 33 LYS H H 33 8.397 8.587 -0.190 1 1 386 . 15 1 1 A 33 33 LYS HA H 33 4.610 4.704 -0.094 1 1 395 . 15 1 1 A 33 33 LYS C C 33 174.080 174.383 -0.303 1 1 396 . 15 1 1 A 33 33 LYS CA C 33 55.512 55.777 -0.265 1 1 397 . 15 1 1 A 33 33 LYS CB C 33 34.570 32.649 1.921 1 1 401 . 15 1 1 A 33 33 LYS N N 33 122.080 123.318 -1.238 1 1 402 . 15 1 1 A 34 34 ASP H H 34 8.140 8.381 -0.241 1 1 403 . 15 1 1 A 34 34 ASP HA H 34 5.040 5.135 -0.095 1 1 406 . 15 1 1 A 34 34 ASP C C 34 173.740 175.188 -1.448 1 1 407 . 15 1 1 A 34 34 ASP CA C 34 53.104 52.777 0.327 1 1 408 . 15 1 1 A 34 34 ASP CB C 34 44.290 44.169 0.121 1 1 409 . 15 1 1 A 34 34 ASP N N 34 121.430 123.911 -2.481 1 1 410 . 15 1 1 A 35 35 TYR H H 35 8.849 9.276 -0.427 1 1 411 . 15 1 1 A 35 35 TYR HA H 35 4.660 4.737 -0.077 1 1 418 . 15 1 1 A 35 35 TYR C C 35 174.450 175.098 -0.648 1 1 419 . 15 1 1 A 35 35 TYR CA C 35 57.177 57.647 -0.470 1 1 420 . 15 1 1 A 35 35 TYR CB C 35 40.955 38.293 2.662 1 1 425 . 15 1 1 A 35 35 TYR N N 35 116.670 121.062 -4.392 1 1 426 . 15 1 1 A 36 36 GLU H H 36 9.144 9.024 0.120 1 1 427 . 15 1 1 A 36 36 GLU HA H 36 4.615 4.557 0.058 1 1 432 . 15 1 1 A 36 36 GLU C C 36 175.850 174.533 1.317 1 1 433 . 15 1 1 A 36 36 GLU CA C 36 55.700 55.605 0.095 1 1 434 . 15 1 1 A 36 36 GLU CB C 36 32.541 30.815 1.726 1 1 436 . 15 1 1 A 36 36 GLU N N 36 122.490 125.886 -3.396 1 1 437 . 15 1 1 A 37 37 TYR H H 37 8.598 8.834 -0.236 1 1 438 . 15 1 1 A 37 37 TYR HA H 37 4.090 4.817 -0.727 1 1 445 . 15 1 1 A 37 37 TYR C C 37 174.140 174.522 -0.382 1 1 446 . 15 1 1 A 37 37 TYR CA C 37 58.399 56.299 2.100 1 1 447 . 15 1 1 A 37 37 TYR CB C 37 41.690 39.953 1.737 1 1 452 . 15 1 1 A 37 37 TYR N N 37 122.480 124.778 -2.298 1 1 453 . 15 1 1 A 38 38 LYS H H 38 8.410 8.857 -0.447 1 1 454 . 15 1 1 A 38 38 LYS HA H 38 5.080 4.617 0.463 1 1 463 . 15 1 1 A 38 38 LYS C C 38 174.980 175.256 -0.276 1 1 464 . 15 1 1 A 38 38 LYS CA C 38 56.133 55.565 0.568 1 1 465 . 15 1 1 A 38 38 LYS CB C 38 33.525 32.670 0.855 1 1 469 . 15 1 1 A 38 38 LYS N N 38 124.250 125.378 -1.128 1 1 470 . 15 1 1 A 39 39 LEU H H 39 8.555 9.060 -0.505 1 1 471 . 15 1 1 A 39 39 LEU HA H 39 4.865 4.991 -0.126 1 1 480 . 15 1 1 A 39 39 LEU C C 39 175.120 175.570 -0.450 1 1 481 . 15 1 1 A 39 39 LEU CA C 39 53.316 53.398 -0.082 1 1 482 . 15 1 1 A 39 39 LEU CB C 39 47.338 45.005 2.333 1 1 485 . 15 1 1 A 39 39 LEU N N 39 124.840 125.826 -0.986 1 1 486 . 15 1 1 A 40 40 THR H H 40 8.615 8.571 0.044 1 1 487 . 15 1 1 A 40 40 THR HA H 40 4.410 4.786 -0.376 1 1 492 . 15 1 1 A 40 40 THR C C 40 173.360 174.103 -0.743 1 1 493 . 15 1 1 A 40 40 THR CA C 40 63.200 60.541 2.659 1 1 494 . 15 1 1 A 40 40 THR CB C 40 69.100 69.965 -0.865 1 1 496 . 15 1 1 A 40 40 THR N N 40 118.390 118.483 -0.093 1 1 497 . 15 1 1 A 41 41 GLY H H 41 8.545 8.915 -0.370 1 1 498 . 15 1 1 A 41 41 GLY HA2 H 41 3.030 3.998 -0.968 1 1 499 . 15 1 1 A 41 41 GLY HA3 H 41 4.910 4.159 0.751 1 1 500 . 15 1 1 A 41 41 GLY C C 41 171.375 171.451 -0.076 1 1 501 . 15 1 1 A 41 41 GLY CA C 41 43.963 43.936 0.027 1 1 502 . 15 1 1 A 41 41 GLY N N 41 113.500 114.739 -1.239 1 1 503 . 15 1 1 A 42 42 PHE H H 42 8.650 9.128 -0.478 1 1 504 . 15 1 1 A 42 42 PHE HA H 42 5.910 5.442 0.468 1 1 512 . 15 1 1 A 42 42 PHE C C 42 176.670 175.414 1.256 1 1 513 . 15 1 1 A 42 42 PHE CA C 42 56.260 57.276 -1.016 1 1 514 . 15 1 1 A 42 42 PHE CB C 42 44.750 41.336 3.414 1 1 520 . 15 1 1 A 42 42 PHE N N 42 113.300 122.339 -9.039 1 1 521 . 15 1 1 A 43 43 ASP H H 43 9.040 8.960 0.080 1 1 522 . 15 1 1 A 43 43 ASP HA H 43 5.100 4.950 0.150 1 1 525 . 15 1 1 A 43 43 ASP C C 43 177.790 177.509 0.281 1 1 526 . 15 1 1 A 43 43 ASP CA C 43 51.990 54.652 -2.662 1 1 527 . 15 1 1 A 43 43 ASP CB C 43 41.660 42.727 -1.067 1 1 528 . 15 1 1 A 43 43 ASP N N 43 123.450 124.513 -1.063 1 1 529 . 15 1 1 A 44 44 LYS H H 44 8.689 9.007 -0.318 1 1 530 . 15 1 1 A 44 44 LYS HA H 44 3.920 4.119 -0.199 1 1 539 . 15 1 1 A 44 44 LYS C C 44 175.450 176.881 -1.431 1 1 540 . 15 1 1 A 44 44 LYS CA C 44 58.730 58.660 0.070 1 1 541 . 15 1 1 A 44 44 LYS CB C 44 31.707 32.089 -0.382 1 1 545 . 15 1 1 A 44 44 LYS N N 44 113.360 125.395 -12.035 1 1 546 . 15 1 1 A 45 45 ASP H H 45 8.178 7.910 0.268 1 1 547 . 15 1 1 A 45 45 ASP HA H 45 4.930 4.797 0.133 1 1 550 . 15 1 1 A 45 45 ASP C C 45 176.710 176.442 0.268 1 1 551 . 15 1 1 A 45 45 ASP CA C 45 54.501 53.965 0.536 1 1 552 . 15 1 1 A 45 45 ASP CB C 45 42.260 41.581 0.679 1 1 553 . 15 1 1 A 45 45 ASP N N 45 119.050 117.636 1.414 1 1 554 . 15 1 1 A 46 46 GLY H H 46 8.853 8.512 0.341 1 1 555 . 15 1 1 A 46 46 GLY HA2 H 46 4.120 4.037 0.083 1 1 556 . 15 1 1 A 46 46 GLY HA3 H 46 3.350 4.077 -0.727 1 1 557 . 15 1 1 A 46 46 GLY C C 46 173.020 174.148 -1.128 1 1 558 . 15 1 1 A 46 46 GLY CA C 46 45.510 46.082 -0.572 1 1 559 . 15 1 1 A 46 46 GLY N N 46 110.250 107.684 2.566 1 1 560 . 15 1 1 A 47 47 LYS H H 47 8.640 7.926 0.714 1 1 561 . 15 1 1 A 47 47 LYS HA H 47 4.320 4.839 -0.519 1 1 570 . 15 1 1 A 47 47 LYS C C 47 176.180 175.635 0.545 1 1 571 . 15 1 1 A 47 47 LYS CA C 47 57.200 54.118 3.082 1 1 572 . 15 1 1 A 47 47 LYS CB C 47 32.300 35.327 -3.027 1 1 576 . 15 1 1 A 47 47 LYS N N 47 123.450 118.928 4.522 1 1 577 . 15 1 1 A 48 48 GLU H H 48 8.510 8.579 -0.069 1 1 578 . 15 1 1 A 48 48 GLU HA H 48 4.914 4.896 0.018 1 1 583 . 15 1 1 A 48 48 GLU C C 48 176.545 175.517 1.028 1 1 584 . 15 1 1 A 48 48 GLU CA C 48 55.540 55.086 0.454 1 1 585 . 15 1 1 A 48 48 GLU CB C 48 32.850 32.150 0.700 1 1 587 . 15 1 1 A 48 48 GLU N N 48 123.300 120.582 2.718 1 1 588 . 15 1 1 A 49 49 LYS H H 49 8.304 8.506 -0.202 1 1 589 . 15 1 1 A 49 49 LYS HA H 49 4.080 4.819 -0.739 1 1 598 . 15 1 1 A 49 49 LYS C C 49 173.870 174.016 -0.146 1 1 599 . 15 1 1 A 49 49 LYS CA C 49 54.797 54.539 0.258 1 1 600 . 15 1 1 A 49 49 LYS CB C 49 36.248 35.376 0.872 1 1 604 . 15 1 1 A 49 49 LYS N N 49 123.450 123.333 0.117 1 1 605 . 15 1 1 A 50 50 GLU H H 50 8.377 8.601 -0.224 1 1 606 . 15 1 1 A 50 50 GLU HA H 50 4.298 4.682 -0.384 1 1 611 . 15 1 1 A 50 50 GLU C C 50 175.090 175.555 -0.465 1 1 612 . 15 1 1 A 50 50 GLU CA C 50 56.950 55.547 1.403 1 1 613 . 15 1 1 A 50 50 GLU CB C 50 29.872 30.928 -1.056 1 1 615 . 15 1 1 A 50 50 GLU N N 50 127.100 126.109 0.991 1 1 616 . 15 1 1 A 51 51 LEU H H 51 8.934 9.095 -0.161 1 1 617 . 15 1 1 A 51 51 LEU HA H 51 4.517 5.094 -0.577 1 1 627 . 15 1 1 A 51 51 LEU C C 51 174.890 175.567 -0.677 1 1 628 . 15 1 1 A 51 51 LEU CA C 51 53.817 53.183 0.634 1 1 629 . 15 1 1 A 51 51 LEU CB C 51 45.254 44.718 0.536 1 1 633 . 15 1 1 A 51 51 LEU N N 51 127.790 129.167 -1.377 1 1 634 . 15 1 1 A 52 52 GLU H H 52 8.360 9.010 -0.650 1 1 635 . 15 1 1 A 52 52 GLU HA H 52 5.417 5.772 -0.355 1 1 640 . 15 1 1 A 52 52 GLU C C 52 174.890 174.766 0.124 1 1 641 . 15 1 1 A 52 52 GLU CA C 52 54.519 55.160 -0.641 1 1 642 . 15 1 1 A 52 52 GLU CB C 52 32.500 33.616 -1.116 1 1 644 . 15 1 1 A 52 52 GLU N N 52 121.180 121.022 0.158 1 1 645 . 15 1 1 A 53 53 PHE H H 53 8.465 8.320 0.145 1 1 646 . 15 1 1 A 53 53 PHE HA H 53 5.130 5.162 -0.032 1 1 654 . 15 1 1 A 53 53 PHE C C 53 172.660 172.835 -0.175 1 1 655 . 15 1 1 A 53 53 PHE CA C 53 56.508 56.464 0.044 1 1 656 . 15 1 1 A 53 53 PHE CB C 53 40.095 41.189 -1.094 1 1 662 . 15 1 1 A 53 53 PHE N N 53 118.940 117.213 1.727 1 1 663 . 15 1 1 A 54 54 THR H H 54 8.622 9.171 -0.549 1 1 664 . 15 1 1 A 54 54 THR HA H 54 5.530 5.165 0.365 1 1 669 . 15 1 1 A 54 54 THR C C 54 173.470 174.025 -0.555 1 1 670 . 15 1 1 A 54 54 THR CA C 54 60.148 60.490 -0.342 1 1 671 . 15 1 1 A 54 54 THR CB C 54 71.820 70.259 1.561 1 1 673 . 15 1 1 A 54 54 THR N N 54 112.280 112.081 0.199 1 1 674 . 15 1 1 A 55 55 ALA H H 55 9.710 8.894 0.816 1 1 675 . 15 1 1 A 55 55 ALA HA H 55 5.354 5.126 0.228 1 1 679 . 15 1 1 A 55 55 ALA C C 55 176.720 178.497 -1.777 1 1 680 . 15 1 1 A 55 55 ALA CA C 55 50.568 50.598 -0.030 1 1 681 . 15 1 1 A 55 55 ALA CB C 55 24.180 21.999 2.181 1 1 682 . 15 1 1 A 55 55 ALA N N 55 126.340 128.729 -2.389 1 1 683 . 15 1 1 A 56 56 GLN H H 56 9.130 9.049 0.081 1 1 684 . 15 1 1 A 56 56 GLN HA H 56 5.030 4.357 0.673 1 1 691 . 15 1 1 A 56 56 GLN C C 56 174.960 175.472 -0.512 1 1 692 . 15 1 1 A 56 56 GLN CA C 56 56.820 57.777 -0.957 1 1 693 . 15 1 1 A 56 56 GLN CB C 56 29.180 29.584 -0.404 1 1 695 . 15 1 1 A 56 56 GLN N N 56 118.540 120.914 -2.374 1 1 697 . 15 1 1 A 57 57 LYS H H 57 7.656 7.719 -0.063 1 1 698 . 15 1 1 A 57 57 LYS HA H 57 4.360 4.664 -0.304 1 1 707 . 15 1 1 A 57 57 LYS C C 57 172.490 174.346 -1.856 1 1 708 . 15 1 1 A 57 57 LYS CA C 57 54.351 55.316 -0.965 1 1 709 . 15 1 1 A 57 57 LYS CB C 57 35.360 36.231 -0.871 1 1 713 . 15 1 1 A 57 57 LYS N N 57 116.270 119.110 -2.840 1 1 714 . 15 1 1 A 58 58 ASN H H 58 7.709 8.233 -0.524 1 1 715 . 15 1 1 A 58 58 ASN HA H 58 4.000 5.245 -1.245 1 1 720 . 15 1 1 A 58 58 ASN C C 58 175.490 175.457 0.033 1 1 721 . 15 1 1 A 58 58 ASN CA C 58 53.498 53.842 -0.344 1 1 722 . 15 1 1 A 58 58 ASN CB C 58 38.538 38.828 -0.290 1 1 723 . 15 1 1 A 58 58 ASN N N 58 117.960 122.978 -5.018 1 1 725 . 15 1 1 A 59 59 LEU H H 59 7.940 9.299 -1.359 1 1 726 . 15 1 1 A 59 59 LEU HA H 59 3.950 4.316 -0.366 1 1 736 . 15 1 1 A 59 59 LEU C C 59 176.410 176.406 0.004 1 1 737 . 15 1 1 A 59 59 LEU CA C 59 54.550 56.956 -2.406 1 1 738 . 15 1 1 A 59 59 LEU CB C 59 42.370 42.099 0.271 1 1 742 . 15 1 1 A 59 59 LEU N N 59 128.190 124.764 3.426 1 1 743 . 15 1 1 A 60 60 ARG H H 60 8.355 7.479 0.876 1 1 744 . 15 1 1 A 60 60 ARG HA H 60 3.870 4.687 -0.817 1 1 752 . 15 1 1 A 60 60 ARG C C 60 175.350 173.714 1.636 1 1 753 . 15 1 1 A 60 60 ARG CA C 60 56.695 55.483 1.212 1 1 754 . 15 1 1 A 60 60 ARG CB C 60 31.290 33.727 -2.437 1 1 757 . 15 1 1 A 60 60 ARG N N 60 123.759 114.493 9.266 1 1 759 . 15 1 1 A 61 61 LYS H H 61 8.178 8.595 -0.417 1 1 760 . 15 1 1 A 61 61 LYS HA H 61 3.680 4.545 -0.865 1 1 769 . 15 1 1 A 61 61 LYS C C 61 177.290 176.949 0.341 1 1 770 . 15 1 1 A 61 61 LYS CA C 61 58.733 55.488 3.245 1 1 771 . 15 1 1 A 61 61 LYS CB C 61 31.564 33.627 -2.063 1 1 775 . 15 1 1 A 61 61 LYS N N 61 125.600 122.596 3.004 1 1 776 . 15 1 1 A 62 62 GLU H H 62 8.949 8.800 0.149 1 1 777 . 15 1 1 A 62 62 GLU HA H 62 3.340 4.130 -0.790 1 1 782 . 15 1 1 A 62 62 GLU C C 62 176.170 175.629 0.541 1 1 783 . 15 1 1 A 62 62 GLU CA C 62 59.156 57.877 1.279 1 1 784 . 15 1 1 A 62 62 GLU CB C 62 28.040 29.259 -1.219 1 1 786 . 15 1 1 A 62 62 GLU N N 62 112.860 122.935 -10.075 1 1 787 . 15 1 1 A 63 63 ALA H H 63 7.604 7.840 -0.236 1 1 788 . 15 1 1 A 63 63 ALA HA H 63 4.020 4.383 -0.363 1 1 792 . 15 1 1 A 63 63 ALA C C 63 175.530 176.832 -1.302 1 1 793 . 15 1 1 A 63 63 ALA CA C 63 53.074 52.434 0.640 1 1 794 . 15 1 1 A 63 63 ALA CB C 63 19.323 20.183 -0.860 1 1 795 . 15 1 1 A 63 63 ALA N N 63 122.700 124.935 -2.235 1 1 796 . 15 1 1 A 64 64 PHE H H 64 8.876 8.678 0.198 1 1 797 . 15 1 1 A 64 64 PHE HA H 64 5.470 5.513 -0.043 1 1 802 . 15 1 1 A 64 64 PHE C C 64 175.480 174.837 0.643 1 1 803 . 15 1 1 A 64 64 PHE CA C 64 56.780 57.028 -0.248 1 1 804 . 15 1 1 A 64 64 PHE CB C 64 41.566 41.664 -0.098 1 1 807 . 15 1 1 A 64 64 PHE N N 64 118.670 118.601 0.069 1 1 808 . 15 1 1 A 65 65 LEU H H 65 8.870 9.237 -0.367 1 1 809 . 15 1 1 A 65 65 LEU HA H 65 5.390 5.022 0.368 1 1 819 . 15 1 1 A 65 65 LEU C C 65 176.030 174.409 1.621 1 1 820 . 15 1 1 A 65 65 LEU CA C 65 52.926 54.394 -1.468 1 1 821 . 15 1 1 A 65 65 LEU CB C 65 45.561 45.761 -0.200 1 1 825 . 15 1 1 A 65 65 LEU N N 65 118.700 121.874 -3.174 1 1 826 . 15 1 1 A 66 66 ARG H H 66 9.031 9.168 -0.137 1 1 827 . 15 1 1 A 66 66 ARG HA H 66 4.345 4.287 0.058 1 1 835 . 15 1 1 A 66 66 ARG C C 66 174.220 175.208 -0.988 1 1 836 . 15 1 1 A 66 66 ARG CA C 66 54.957 55.664 -0.707 1 1 837 . 15 1 1 A 66 66 ARG CB C 66 32.885 30.318 2.567 1 1 840 . 15 1 1 A 66 66 ARG N N 66 121.590 128.586 -6.996 1 1 842 . 15 1 1 A 67 67 VAL H H 67 9.359 8.789 0.570 1 1 843 . 15 1 1 A 67 67 VAL HA H 67 4.400 4.843 -0.443 1 1 851 . 15 1 1 A 67 67 VAL C C 67 174.070 173.937 0.133 1 1 852 . 15 1 1 A 67 67 VAL CA C 67 60.910 61.102 -0.192 1 1 853 . 15 1 1 A 67 67 VAL CB C 67 33.960 33.454 0.506 1 1 856 . 15 1 1 A 67 67 VAL N N 67 126.230 123.297 2.933 1 1 857 . 15 1 1 A 68 68 TYR H H 68 8.710 9.157 -0.447 1 1 858 . 15 1 1 A 68 68 TYR HA H 68 5.070 5.213 -0.143 1 1 865 . 15 1 1 A 68 68 TYR C C 68 175.390 174.437 0.953 1 1 866 . 15 1 1 A 68 68 TYR CA C 68 57.290 56.328 0.962 1 1 867 . 15 1 1 A 68 68 TYR CB C 68 38.690 40.350 -1.660 1 1 872 . 15 1 1 A 68 68 TYR N N 68 125.200 126.654 -1.454 1 1 873 . 15 1 1 A 69 69 HIS H H 69 9.224 8.727 0.497 1 1 874 . 15 1 1 A 69 69 HIS HA H 69 5.200 4.806 0.394 1 1 879 . 15 1 1 A 69 69 HIS C C 69 173.600 174.535 -0.935 1 1 880 . 15 1 1 A 69 69 HIS CA C 69 56.502 54.957 1.545 1 1 881 . 15 1 1 A 69 69 HIS CB C 69 35.873 30.187 5.686 1 1 884 . 15 1 1 A 69 69 HIS N N 69 124.780 129.613 -4.833 1 1 885 . 15 1 1 A 70 70 SER H H 70 7.425 8.496 -1.071 1 1 886 . 15 1 1 A 70 70 SER HA H 70 4.800 4.343 0.457 1 1 889 . 15 1 1 A 70 70 SER C C 70 173.790 175.242 -1.452 1 1 890 . 15 1 1 A 70 70 SER CA C 70 56.840 56.426 0.414 1 1 891 . 15 1 1 A 70 70 SER CB C 70 66.500 64.605 1.895 1 1 892 . 15 1 1 A 70 70 SER N N 70 118.910 119.225 -0.315 1 1 893 . 15 1 1 A 71 71 ASP H H 71 9.020 8.624 0.396 1 1 894 . 15 1 1 A 71 71 ASP HA H 71 4.390 4.400 -0.010 1 1 897 . 15 1 1 A 71 71 ASP C C 71 178.030 176.190 1.840 1 1 898 . 15 1 1 A 71 71 ASP CA C 71 57.220 55.374 1.846 1 1 899 . 15 1 1 A 71 71 ASP CB C 71 40.622 40.010 0.612 1 1 900 . 15 1 1 A 71 71 ASP N N 71 123.340 119.002 4.338 1 1 901 . 15 1 1 A 72 72 LYS H H 72 8.220 7.241 0.979 1 1 902 . 15 1 1 A 72 72 LYS HA H 72 4.123 4.354 -0.231 1 1 911 . 15 1 1 A 72 72 LYS C C 72 177.560 176.249 1.311 1 1 912 . 15 1 1 A 72 72 LYS CA C 72 58.383 55.643 2.740 1 1 913 . 15 1 1 A 72 72 LYS CB C 72 32.778 31.976 0.802 1 1 917 . 15 1 1 A 72 72 LYS N N 72 116.640 117.667 -1.027 1 1 918 . 15 1 1 A 73 73 LYS H H 73 7.367 8.008 -0.641 1 1 919 . 15 1 1 A 73 73 LYS HA H 73 4.449 4.340 0.109 1 1 928 . 15 1 1 A 73 73 LYS C C 73 176.750 176.368 0.382 1 1 929 . 15 1 1 A 73 73 LYS CA C 73 55.614 58.451 -2.837 1 1 930 . 15 1 1 A 73 73 LYS CB C 73 33.910 31.274 2.636 1 1 934 . 15 1 1 A 73 73 LYS N N 73 115.780 115.237 0.543 1 1 935 . 15 1 1 A 74 74 GLY H H 74 8.240 8.757 -0.517 1 1 936 . 15 1 1 A 74 74 GLY HA2 H 74 3.630 3.827 -0.197 1 1 937 . 15 1 1 A 74 74 GLY HA3 H 74 4.240 3.847 0.393 1 1 938 . 15 1 1 A 74 74 GLY C C 74 174.817 173.301 1.516 1 1 939 . 15 1 1 A 74 74 GLY CA C 74 45.075 47.487 -2.412 1 1 940 . 15 1 1 A 74 74 GLY N N 74 110.370 110.936 -0.566 1 1 941 . 15 1 1 A 75 75 VAL H H 75 9.140 7.763 1.377 1 1 942 . 15 1 1 A 75 75 VAL HA H 75 4.640 4.500 0.140 1 1 950 . 15 1 1 A 75 75 VAL C C 75 177.000 174.059 2.941 1 1 951 . 15 1 1 A 75 75 VAL CA C 75 63.550 61.114 2.436 1 1 952 . 15 1 1 A 75 75 VAL CB C 75 32.237 34.341 -2.104 1 1 955 . 15 1 1 A 75 75 VAL N N 75 124.300 120.466 3.834 1 1 956 . 15 1 1 A 76 76 SER H H 76 9.020 8.474 0.546 1 1 957 . 15 1 1 A 76 76 SER HA H 76 4.640 4.812 -0.172 1 1 960 . 15 1 1 A 76 76 SER C C 76 174.250 173.895 0.355 1 1 961 . 15 1 1 A 76 76 SER CA C 76 58.440 59.526 -1.086 1 1 962 . 15 1 1 A 76 76 SER CB C 76 64.550 65.958 -1.408 1 1 963 . 15 1 1 A 76 76 SER N N 76 122.490 119.540 2.950 1 1 964 . 15 1 1 A 77 77 ALA H H 77 7.890 8.167 -0.277 1 1 965 . 15 1 1 A 77 77 ALA HA H 77 4.420 4.754 -0.334 1 1 969 . 15 1 1 A 77 77 ALA C C 77 174.430 176.562 -2.132 1 1 970 . 15 1 1 A 77 77 ALA CA C 77 51.940 50.833 1.107 1 1 971 . 15 1 1 A 77 77 ALA CB C 77 22.234 22.049 0.185 1 1 972 . 15 1 1 A 77 77 ALA N N 77 122.930 121.361 1.569 1 1 973 . 15 1 1 A 78 78 TRP H H 78 7.776 8.256 -0.480 1 1 974 . 15 1 1 A 78 78 TRP HA H 78 5.690 5.456 0.234 1 1 982 . 15 1 1 A 78 78 TRP C C 78 174.450 173.509 0.941 1 1 983 . 15 1 1 A 78 78 TRP CA C 78 55.899 55.505 0.394 1 1 984 . 15 1 1 A 78 78 TRP CB C 78 32.602 32.369 0.233 1 1 989 . 15 1 1 A 78 78 TRP N N 78 114.705 117.578 -2.873 1 1 991 . 15 1 1 A 79 79 GLU H H 79 9.210 8.865 0.345 1 1 992 . 15 1 1 A 79 79 GLU HA H 79 4.730 4.891 -0.161 1 1 997 . 15 1 1 A 79 79 GLU C C 79 174.130 174.882 -0.752 1 1 998 . 15 1 1 A 79 79 GLU CA C 79 54.939 54.894 0.045 1 1 999 . 15 1 1 A 79 79 GLU CB C 79 31.656 33.212 -1.556 1 1 1001 . 15 1 1 A 79 79 GLU N N 79 114.860 119.949 -5.089 1 1 1002 . 15 1 1 A 80 80 GLU H H 80 9.120 8.762 0.358 1 1 1003 . 15 1 1 A 80 80 GLU HA H 80 5.030 4.738 0.292 1 1 1008 . 15 1 1 A 80 80 GLU C C 80 176.580 176.430 0.150 1 1 1009 . 15 1 1 A 80 80 GLU CA C 80 57.193 56.443 0.750 1 1 1010 . 15 1 1 A 80 80 GLU CB C 80 29.856 30.492 -0.636 1 1 1012 . 15 1 1 A 80 80 GLU N N 80 123.960 125.218 -1.258 1 1 1013 . 15 1 1 A 81 81 VAL H H 81 8.694 9.159 -0.465 1 1 1014 . 15 1 1 A 81 81 VAL HA H 81 4.780 4.994 -0.214 1 1 1022 . 15 1 1 A 81 81 VAL C C 81 174.460 175.368 -0.908 1 1 1023 . 15 1 1 A 81 81 VAL CA C 81 58.927 59.340 -0.413 1 1 1024 . 15 1 1 A 81 81 VAL CB C 81 35.550 34.813 0.737 1 1 1027 . 15 1 1 A 81 81 VAL N N 81 118.990 121.992 -3.002 1 1 1028 . 15 1 1 A 82 82 LYS H H 82 8.708 8.854 -0.146 1 1 1029 . 15 1 1 A 82 82 LYS HA H 82 4.580 4.384 0.196 1 1 1038 . 15 1 1 A 82 82 LYS C C 82 178.380 178.183 0.197 1 1 1039 . 15 1 1 A 82 82 LYS CA C 82 55.212 56.464 -1.252 1 1 1040 . 15 1 1 A 82 82 LYS CB C 82 33.689 32.762 0.927 1 1 1044 . 15 1 1 A 82 82 LYS N N 82 120.850 124.095 -3.245 1 1 1045 . 15 1 1 A 83 83 LYS H H 83 8.870 8.836 0.034 1 1 1046 . 15 1 1 A 83 83 LYS HA H 83 3.180 4.118 -0.938 1 1 1055 . 15 1 1 A 83 83 LYS C C 83 177.690 178.050 -0.360 1 1 1056 . 15 1 1 A 83 83 LYS CA C 83 59.370 58.770 0.600 1 1 1057 . 15 1 1 A 83 83 LYS CB C 83 32.209 32.276 -0.067 1 1 1061 . 15 1 1 A 83 83 LYS N N 83 121.435 123.300 -1.865 1 1 1062 . 15 1 1 A 84 84 ASP H H 84 8.059 8.271 -0.212 1 1 1063 . 15 1 1 A 84 84 ASP HA H 84 4.220 4.389 -0.169 1 1 1066 . 15 1 1 A 84 84 ASP C C 84 177.100 178.229 -1.129 1 1 1067 . 15 1 1 A 84 84 ASP CA C 84 55.680 56.789 -1.109 1 1 1068 . 15 1 1 A 84 84 ASP CB C 84 40.392 40.201 0.191 1 1 1069 . 15 1 1 A 84 84 ASP N N 84 112.520 119.708 -7.188 1 1 1070 . 15 1 1 A 85 85 GLU H H 85 7.686 7.480 0.206 1 1 1071 . 15 1 1 A 85 85 GLU HA H 85 4.136 4.367 -0.231 1 1 1076 . 15 1 1 A 85 85 GLU C C 85 176.270 176.274 -0.004 1 1 1077 . 15 1 1 A 85 85 GLU CA C 85 56.133 56.563 -0.430 1 1 1078 . 15 1 1 A 85 85 GLU CB C 85 30.479 30.168 0.311 1 1 1080 . 15 1 1 A 85 85 GLU N N 85 116.930 117.041 -0.111 1 1 1081 . 15 1 1 A 86 86 LEU H H 86 7.017 7.148 -0.131 1 1 1082 . 15 1 1 A 86 86 LEU HA H 86 3.710 4.289 -0.579 1 1 1092 . 15 1 1 A 86 86 LEU CA C 86 52.600 51.921 0.679 1 1 1093 . 15 1 1 A 86 86 LEU CB C 86 42.120 41.593 0.527 1 1 1097 . 15 1 1 A 86 86 LEU N N 86 119.530 122.187 -2.657 1 1 1098 . 15 1 1 A 87 87 PRO HA H 87 4.330 4.530 -0.200 1 1 1105 . 15 1 1 A 87 87 PRO C C 87 176.940 177.534 -0.594 1 1 1106 . 15 1 1 A 87 87 PRO CA C 87 62.400 62.540 -0.140 1 1 1107 . 15 1 1 A 87 87 PRO CB C 87 32.537 32.815 -0.278 1 1 1110 . 15 1 1 A 88 88 ALA H H 88 8.943 8.707 0.236 1 1 1111 . 15 1 1 A 88 88 ALA HA H 88 3.780 4.000 -0.220 1 1 1115 . 15 1 1 A 88 88 ALA C C 88 180.520 179.854 0.666 1 1 1116 . 15 1 1 A 88 88 ALA CA C 88 56.911 55.234 1.677 1 1 1117 . 15 1 1 A 88 88 ALA CB C 88 18.502 18.078 0.424 1 1 1118 . 15 1 1 A 88 88 ALA N N 88 128.160 125.553 2.607 1 1 1119 . 15 1 1 A 89 89 LYS H H 89 9.270 7.994 1.276 1 1 1120 . 15 1 1 A 89 89 LYS HA H 89 3.990 3.983 0.007 1 1 1129 . 15 1 1 A 89 89 LYS C C 89 179.070 178.937 0.133 1 1 1130 . 15 1 1 A 89 89 LYS CA C 89 58.648 59.325 -0.677 1 1 1131 . 15 1 1 A 89 89 LYS CB C 89 31.962 32.752 -0.790 1 1 1135 . 15 1 1 A 89 89 LYS N N 89 115.610 117.231 -1.621 1 1 1136 . 15 1 1 A 90 90 VAL H H 90 6.846 7.530 -0.684 1 1 1137 . 15 1 1 A 90 90 VAL HA H 90 3.230 3.694 -0.464 1 1 1145 . 15 1 1 A 90 90 VAL C C 90 177.100 177.502 -0.402 1 1 1146 . 15 1 1 A 90 90 VAL CA C 90 65.870 65.635 0.235 1 1 1147 . 15 1 1 A 90 90 VAL CB C 90 30.880 31.814 -0.934 1 1 1150 . 15 1 1 A 90 90 VAL N N 90 117.560 119.035 -1.475 1 1 1151 . 15 1 1 A 91 91 LYS H H 91 7.850 8.393 -0.543 1 1 1152 . 15 1 1 A 91 91 LYS HA H 91 3.430 3.874 -0.444 1 1 1161 . 15 1 1 A 91 91 LYS C C 91 178.420 179.113 -0.693 1 1 1162 . 15 1 1 A 91 91 LYS CA C 91 61.028 59.805 1.223 1 1 1163 . 15 1 1 A 91 91 LYS CB C 91 32.387 32.506 -0.119 1 1 1167 . 15 1 1 A 91 91 LYS N N 91 118.750 120.224 -1.474 1 1 1168 . 15 1 1 A 92 92 GLU H H 92 7.282 7.865 -0.583 1 1 1169 . 15 1 1 A 92 92 GLU HA H 92 3.990 4.201 -0.211 1 1 1174 . 15 1 1 A 92 92 GLU C C 92 179.380 179.129 0.251 1 1 1175 . 15 1 1 A 92 92 GLU CA C 92 59.030 58.902 0.128 1 1 1176 . 15 1 1 A 92 92 GLU CB C 92 29.841 30.137 -0.296 1 1 1178 . 15 1 1 A 92 92 GLU N N 92 115.375 118.551 -3.176 1 1 1179 . 15 1 1 A 93 93 LYS H H 93 7.343 7.461 -0.118 1 1 1180 . 15 1 1 A 93 93 LYS HA H 93 3.800 4.202 -0.402 1 1 1189 . 15 1 1 A 93 93 LYS C C 93 178.310 176.352 1.958 1 1 1190 . 15 1 1 A 93 93 LYS CA C 93 56.970 59.114 -2.144 1 1 1191 . 15 1 1 A 93 93 LYS CB C 93 30.740 32.420 -1.680 1 1 1195 . 15 1 1 A 93 93 LYS N N 93 118.370 120.729 -2.359 1 1 1196 . 15 1 1 A 94 94 LEU H H 94 8.000 8.144 -0.144 1 1 1197 . 15 1 1 A 94 94 LEU HA H 94 4.360 4.008 0.352 1 1 1207 . 15 1 1 A 94 94 LEU C C 94 177.350 176.008 1.342 1 1 1208 . 15 1 1 A 94 94 LEU CA C 94 54.765 55.752 -0.987 1 1 1209 . 15 1 1 A 94 94 LEU CB C 94 42.796 41.404 1.392 1 1 1213 . 15 1 1 A 94 94 LEU N N 94 115.600 119.391 -3.791 1 1 1214 . 15 1 1 A 95 95 GLY H H 95 7.601 8.366 -0.765 1 1 1215 . 15 1 1 A 95 95 GLY HA2 H 95 3.830 3.875 -0.045 1 1 1216 . 15 1 1 A 95 95 GLY HA3 H 95 3.950 3.892 0.058 1 1 1217 . 15 1 1 A 95 95 GLY C C 95 174.790 173.881 0.909 1 1 1218 . 15 1 1 A 95 95 GLY CA C 95 46.550 45.247 1.303 1 1 1219 . 15 1 1 A 95 95 GLY N N 95 108.540 114.250 -5.710 1 1 1220 . 15 1 1 A 96 96 VAL H H 96 7.957 7.693 0.264 1 1 1221 . 15 1 1 A 96 96 VAL HA H 96 3.940 4.391 -0.451 1 1 1229 . 15 1 1 A 96 96 VAL C C 96 175.540 175.089 0.451 1 1 1230 . 15 1 1 A 96 96 VAL CA C 96 62.314 60.961 1.353 1 1 1231 . 15 1 1 A 96 96 VAL CB C 96 32.155 34.147 -1.992 1 1 1234 . 15 1 1 A 96 96 VAL N N 96 119.490 120.412 -0.922 1 1 1235 . 15 1 1 A 97 97 LYS H H 97 8.293 8.436 -0.143 1 1 1236 . 15 1 1 A 97 97 LYS HA H 97 4.210 4.448 -0.238 1 1 1245 . 15 1 1 A 97 97 LYS C C 97 176.290 175.746 0.544 1 1 1246 . 15 1 1 A 97 97 LYS CA C 97 56.174 56.516 -0.342 1 1 1247 . 15 1 1 A 97 97 LYS CB C 97 33.200 32.913 0.287 1 1 1251 . 15 1 1 A 97 97 LYS N N 97 126.120 126.098 0.022 1 1 1252 . 15 1 1 A 98 98 LEU H H 98 8.315 8.833 -0.518 1 1 1253 . 15 1 1 A 98 98 LEU HA H 98 4.240 4.466 -0.226 1 1 1263 . 15 1 1 A 98 98 LEU C C 98 176.930 177.349 -0.419 1 1 1264 . 15 1 1 A 98 98 LEU CA C 98 54.800 54.503 0.297 1 1 1265 . 15 1 1 A 98 98 LEU CB C 98 42.217 40.341 1.876 1 1 1269 . 15 1 1 A 98 98 LEU N N 98 124.170 127.726 -3.556 1 1 1270 . 15 1 1 A 99 99 GLU H H 99 8.375 7.986 0.389 1 1 1271 . 15 1 1 A 99 99 GLU HA H 99 4.175 4.234 -0.059 1 1 1276 . 15 1 1 A 99 99 GLU C C 99 176.035 176.413 -0.378 1 1 1277 . 15 1 1 A 99 99 GLU CA C 99 56.352 57.009 -0.657 1 1 1278 . 15 1 1 A 99 99 GLU CB C 99 30.460 28.713 1.747 1 1 1280 . 15 1 1 A 99 99 GLU N N 99 122.010 122.787 -0.777 1 1 1281 . 15 1 1 A 100 100 HIS H H 100 8.350 7.670 0.680 1 1 1282 . 15 1 1 A 100 100 HIS HA H 100 4.565 4.625 -0.060 1 1 1285 . 15 1 1 A 100 100 HIS C C 100 173.880 174.387 -0.507 1 1 1286 . 15 1 1 A 100 100 HIS CA C 100 56.050 54.512 1.538 1 1 1287 . 15 1 1 A 100 100 HIS CB C 100 30.144 28.710 1.434 1 1 1288 . 15 1 1 A 100 100 HIS N N 100 120.245 121.340 -1.095 1 1 1289 . 15 1 1 A 101 101 HIS H H 101 8.134 8.697 -0.563 1 1 1290 . 15 1 1 A 101 101 HIS HA H 101 4.410 4.538 -0.128 1 1 1293 . 15 1 1 A 101 101 HIS CA C 101 57.290 54.252 3.038 1 1 1294 . 15 1 1 A 101 101 HIS CB C 101 31.450 29.970 1.480 1 1 1 . 16 1 1 A 2 2 ASP HA H 2 4.670 5.117 -0.447 1 1 4 . 16 1 1 A 2 2 ASP C C 2 176.480 176.579 -0.099 1 1 5 . 16 1 1 A 2 2 ASP CA C 2 53.400 53.321 0.079 1 1 6 . 16 1 1 A 2 2 ASP CB C 2 41.170 41.649 -0.479 1 1 7 . 16 1 1 A 3 3 LEU H H 3 8.650 8.155 0.495 1 1 8 . 16 1 1 A 3 3 LEU HA H 3 4.116 3.902 0.214 1 1 18 . 16 1 1 A 3 3 LEU C C 3 177.880 178.313 -0.433 1 1 19 . 16 1 1 A 3 3 LEU CA C 3 56.390 57.765 -1.375 1 1 20 . 16 1 1 A 3 3 LEU CB C 3 41.660 41.390 0.270 1 1 24 . 16 1 1 A 3 3 LEU N N 3 125.300 119.819 5.481 1 1 25 . 16 1 1 A 4 4 ASN H H 4 8.370 9.244 -0.874 1 1 26 . 16 1 1 A 4 4 ASN HA H 4 4.490 4.435 0.055 1 1 31 . 16 1 1 A 4 4 ASN C C 4 175.050 176.729 -1.679 1 1 32 . 16 1 1 A 4 4 ASN CA C 4 54.320 55.409 -1.089 1 1 33 . 16 1 1 A 4 4 ASN CB C 4 38.240 37.073 1.167 1 1 34 . 16 1 1 A 4 4 ASN N N 4 116.550 119.888 -3.338 1 1 36 . 16 1 1 A 5 5 ARG H H 5 7.645 7.616 0.029 1 1 37 . 16 1 1 A 5 5 ARG HA H 5 3.920 4.381 -0.461 1 1 45 . 16 1 1 A 5 5 ARG C C 5 176.030 176.958 -0.928 1 1 46 . 16 1 1 A 5 5 ARG CA C 5 56.180 57.652 -1.472 1 1 47 . 16 1 1 A 5 5 ARG CB C 5 31.570 31.527 0.043 1 1 50 . 16 1 1 A 5 5 ARG N N 5 118.590 117.540 1.050 1 1 52 . 16 1 1 A 6 6 MET H H 6 7.809 8.218 -0.409 1 1 53 . 16 1 1 A 6 6 MET HA H 6 4.355 4.414 -0.059 1 1 58 . 16 1 1 A 6 6 MET C C 6 176.940 175.045 1.895 1 1 59 . 16 1 1 A 6 6 MET CA C 6 56.290 57.457 -1.167 1 1 60 . 16 1 1 A 6 6 MET CB C 6 33.020 31.486 1.534 1 1 62 . 16 1 1 A 6 6 MET N N 6 120.180 116.837 3.343 1 1 63 . 16 1 1 A 7 7 GLY H H 7 8.906 8.330 0.576 1 1 64 . 16 1 1 A 7 7 GLY HA2 H 7 3.870 4.203 -0.333 1 1 65 . 16 1 1 A 7 7 GLY HA3 H 7 3.950 4.208 -0.258 1 1 66 . 16 1 1 A 7 7 GLY C C 7 174.280 172.081 2.199 1 1 67 . 16 1 1 A 7 7 GLY CA C 7 46.110 45.036 1.074 1 1 68 . 16 1 1 A 7 7 GLY N N 7 112.660 108.302 4.358 1 1 69 . 16 1 1 A 8 8 LYS H H 8 7.819 8.276 -0.457 1 1 70 . 16 1 1 A 8 8 LYS HA H 8 4.550 4.964 -0.414 1 1 79 . 16 1 1 A 8 8 LYS C C 8 176.060 175.268 0.792 1 1 80 . 16 1 1 A 8 8 LYS CA C 8 54.444 54.822 -0.378 1 1 81 . 16 1 1 A 8 8 LYS CB C 8 33.760 34.707 -0.947 1 1 85 . 16 1 1 A 8 8 LYS N N 8 119.130 120.109 -0.979 1 1 86 . 16 1 1 A 9 9 ASP H H 9 8.790 8.891 -0.101 1 1 87 . 16 1 1 A 9 9 ASP HA H 9 4.730 4.863 -0.133 1 1 90 . 16 1 1 A 9 9 ASP C C 9 174.530 175.695 -1.165 1 1 91 . 16 1 1 A 9 9 ASP CA C 9 54.560 53.818 0.742 1 1 92 . 16 1 1 A 9 9 ASP CB C 9 42.530 41.521 1.009 1 1 93 . 16 1 1 A 9 9 ASP N N 9 121.550 124.969 -3.419 1 1 94 . 16 1 1 A 10 10 GLU H H 10 7.950 8.955 -1.005 1 1 95 . 16 1 1 A 10 10 GLU HA H 10 4.570 5.247 -0.677 1 1 100 . 16 1 1 A 10 10 GLU C C 10 174.080 174.002 0.078 1 1 101 . 16 1 1 A 10 10 GLU CA C 10 54.640 54.537 0.103 1 1 102 . 16 1 1 A 10 10 GLU CB C 10 31.380 33.097 -1.717 1 1 104 . 16 1 1 A 10 10 GLU N N 10 119.640 120.144 -0.504 1 1 105 . 16 1 1 A 11 11 TYR H H 11 8.767 9.314 -0.547 1 1 106 . 16 1 1 A 11 11 TYR HA H 11 4.555 5.406 -0.851 1 1 113 . 16 1 1 A 11 11 TYR C C 11 173.480 174.790 -1.310 1 1 114 . 16 1 1 A 11 11 TYR CA C 11 56.360 56.196 0.164 1 1 115 . 16 1 1 A 11 11 TYR CB C 11 43.860 41.508 2.352 1 1 120 . 16 1 1 A 11 11 TYR N N 11 120.960 122.006 -1.046 1 1 121 . 16 1 1 A 12 12 TYR H H 12 9.290 9.258 0.032 1 1 122 . 16 1 1 A 12 12 TYR HA H 12 5.730 5.159 0.571 1 1 129 . 16 1 1 A 12 12 TYR C C 12 175.700 176.209 -0.509 1 1 130 . 16 1 1 A 12 12 TYR CA C 12 56.680 57.564 -0.884 1 1 131 . 16 1 1 A 12 12 TYR CB C 12 42.180 38.625 3.555 1 1 136 . 16 1 1 A 12 12 TYR N N 12 118.880 123.260 -4.380 1 1 137 . 16 1 1 A 13 13 VAL H H 13 8.670 8.815 -0.145 1 1 138 . 16 1 1 A 13 13 VAL HA H 13 5.050 5.274 -0.224 1 1 146 . 16 1 1 A 13 13 VAL C C 13 174.820 174.225 0.595 1 1 147 . 16 1 1 A 13 13 VAL CA C 13 58.130 59.037 -0.907 1 1 148 . 16 1 1 A 13 13 VAL CB C 13 35.890 36.208 -0.318 1 1 151 . 16 1 1 A 13 13 VAL N N 13 112.280 118.470 -6.190 1 1 152 . 16 1 1 A 14 14 GLN H H 14 8.760 8.833 -0.073 1 1 153 . 16 1 1 A 14 14 GLN HA H 14 5.090 4.961 0.129 1 1 160 . 16 1 1 A 14 14 GLN C C 14 175.000 174.586 0.414 1 1 161 . 16 1 1 A 14 14 GLN CA C 14 53.520 53.039 0.481 1 1 162 . 16 1 1 A 14 14 GLN CB C 14 31.250 31.693 -0.443 1 1 164 . 16 1 1 A 14 14 GLN N N 14 120.910 119.623 1.287 1 1 166 . 16 1 1 A 15 15 ILE H H 15 8.843 8.694 0.149 1 1 167 . 16 1 1 A 15 15 ILE HA H 15 3.900 3.963 -0.063 1 1 177 . 16 1 1 A 15 15 ILE C C 15 177.090 177.258 -0.168 1 1 178 . 16 1 1 A 15 15 ILE CA C 15 59.269 61.607 -2.338 1 1 179 . 16 1 1 A 15 15 ILE CB C 15 34.050 36.816 -2.766 1 1 183 . 16 1 1 A 15 15 ILE N N 15 125.520 122.416 3.104 1 1 184 . 16 1 1 A 16 16 THR H H 16 7.996 7.887 0.109 1 1 185 . 16 1 1 A 16 16 THR HA H 16 4.540 4.190 0.350 1 1 190 . 16 1 1 A 16 16 THR C C 16 173.650 174.930 -1.280 1 1 191 . 16 1 1 A 16 16 THR CA C 16 61.180 64.562 -3.382 1 1 192 . 16 1 1 A 16 16 THR CB C 16 69.300 68.360 0.940 1 1 194 . 16 1 1 A 16 16 THR N N 16 118.080 120.137 -2.057 1 1 195 . 16 1 1 A 17 17 VAL H H 17 7.240 7.607 -0.367 1 1 196 . 16 1 1 A 17 17 VAL HA H 17 4.659 4.428 0.231 1 1 204 . 16 1 1 A 17 17 VAL C C 17 175.135 175.306 -0.171 1 1 205 . 16 1 1 A 17 17 VAL CA C 17 58.870 60.682 -1.812 1 1 206 . 16 1 1 A 17 17 VAL CB C 17 36.070 33.443 2.627 1 1 209 . 16 1 1 A 17 17 VAL N N 17 113.230 119.339 -6.109 1 1 210 . 16 1 1 A 18 18 ASP H H 18 8.280 8.621 -0.341 1 1 211 . 16 1 1 A 18 18 ASP HA H 18 5.010 5.308 -0.298 1 1 214 . 16 1 1 A 18 18 ASP C C 18 177.350 175.793 1.557 1 1 215 . 16 1 1 A 18 18 ASP CA C 18 54.765 52.043 2.722 1 1 216 . 16 1 1 A 18 18 ASP CB C 18 42.120 43.880 -1.760 1 1 217 . 16 1 1 A 18 18 ASP N N 18 120.730 124.383 -3.653 1 1 218 . 16 1 1 A 19 19 GLY H H 19 8.951 8.652 0.299 1 1 219 . 16 1 1 A 19 19 GLY HA2 H 19 2.920 3.924 -1.004 1 1 220 . 16 1 1 A 19 19 GLY HA3 H 19 2.978 3.988 -1.010 1 1 221 . 16 1 1 A 19 19 GLY C C 19 172.450 174.400 -1.950 1 1 222 . 16 1 1 A 19 19 GLY CA C 19 45.370 45.750 -0.380 1 1 223 . 16 1 1 A 19 19 GLY N N 19 110.580 110.017 0.563 1 1 224 . 16 1 1 A 20 20 LYS H H 20 8.110 7.927 0.183 1 1 225 . 16 1 1 A 20 20 LYS HA H 20 4.374 4.346 0.028 1 1 234 . 16 1 1 A 20 20 LYS C C 20 175.710 175.238 0.472 1 1 235 . 16 1 1 A 20 20 LYS CA C 20 54.800 55.073 -0.273 1 1 236 . 16 1 1 A 20 20 LYS CB C 20 33.240 30.688 2.552 1 1 240 . 16 1 1 A 20 20 LYS N N 20 124.290 122.357 1.933 1 1 241 . 16 1 1 A 21 21 GLU H H 21 8.710 8.670 0.040 1 1 242 . 16 1 1 A 21 21 GLU HA H 21 3.930 4.598 -0.668 1 1 247 . 16 1 1 A 21 21 GLU C C 21 175.960 175.672 0.288 1 1 248 . 16 1 1 A 21 21 GLU CA C 21 56.940 55.583 1.357 1 1 249 . 16 1 1 A 21 21 GLU CB C 21 30.439 29.671 0.768 1 1 251 . 16 1 1 A 21 21 GLU N N 21 128.720 127.844 0.876 1 1 252 . 16 1 1 A 22 22 VAL H H 22 8.621 8.315 0.306 1 1 253 . 16 1 1 A 22 22 VAL HA H 22 4.160 4.113 0.047 1 1 261 . 16 1 1 A 22 22 VAL C C 22 175.210 175.248 -0.038 1 1 262 . 16 1 1 A 22 22 VAL CA C 22 61.027 61.775 -0.748 1 1 263 . 16 1 1 A 22 22 VAL CB C 22 34.501 30.732 3.769 1 1 266 . 16 1 1 A 22 22 VAL N N 22 125.340 122.070 3.270 1 1 267 . 16 1 1 A 23 23 HIS H H 23 8.607 8.452 0.155 1 1 268 . 16 1 1 A 23 23 HIS HA H 23 4.820 4.774 0.046 1 1 273 . 16 1 1 A 23 23 HIS C C 23 175.040 175.391 -0.351 1 1 274 . 16 1 1 A 23 23 HIS CA C 23 55.498 54.351 1.147 1 1 275 . 16 1 1 A 23 23 HIS CB C 23 30.660 27.228 3.432 1 1 278 . 16 1 1 A 23 23 HIS N N 23 124.000 126.947 -2.947 1 1 279 . 16 1 1 A 24 24 SER H H 24 8.480 8.265 0.215 1 1 280 . 16 1 1 A 24 24 SER HA H 24 4.480 3.938 0.542 1 1 283 . 16 1 1 A 24 24 SER C C 24 173.860 174.310 -0.450 1 1 284 . 16 1 1 A 24 24 SER CA C 24 57.690 61.229 -3.539 1 1 285 . 16 1 1 A 24 24 SER CB C 24 64.580 63.168 1.412 1 1 286 . 16 1 1 A 24 24 SER N N 24 118.250 118.866 -0.616 1 1 287 . 16 1 1 A 25 25 LYS H H 25 8.517 8.072 0.445 1 1 288 . 16 1 1 A 25 25 LYS HA H 25 4.561 4.081 0.480 1 1 297 . 16 1 1 A 25 25 LYS C C 25 176.160 176.797 -0.637 1 1 298 . 16 1 1 A 25 25 LYS CA C 25 56.255 57.202 -0.947 1 1 299 . 16 1 1 A 25 25 LYS CB C 25 33.714 30.849 2.865 1 1 303 . 16 1 1 A 25 25 LYS N N 25 122.750 120.121 2.629 1 1 304 . 16 1 1 A 26 26 ALA H H 26 8.468 8.303 0.165 1 1 305 . 16 1 1 A 26 26 ALA HA H 26 4.470 4.317 0.153 1 1 309 . 16 1 1 A 26 26 ALA C C 26 177.950 177.567 0.383 1 1 310 . 16 1 1 A 26 26 ALA CA C 26 51.912 52.399 -0.487 1 1 311 . 16 1 1 A 26 26 ALA CB C 26 20.050 19.668 0.382 1 1 312 . 16 1 1 A 26 26 ALA N N 26 125.370 121.329 4.041 1 1 313 . 16 1 1 A 27 27 ASP H H 27 8.509 8.271 0.238 1 1 314 . 16 1 1 A 27 27 ASP HA H 27 4.460 4.545 -0.085 1 1 317 . 16 1 1 A 27 27 ASP C C 27 176.480 176.010 0.470 1 1 318 . 16 1 1 A 27 27 ASP CA C 27 55.490 55.272 0.218 1 1 319 . 16 1 1 A 27 27 ASP CB C 27 40.771 40.510 0.261 1 1 320 . 16 1 1 A 27 27 ASP N N 27 120.380 118.472 1.908 1 1 321 . 16 1 1 A 28 28 ASN H H 28 8.193 8.986 -0.793 1 1 322 . 16 1 1 A 28 28 ASN HA H 28 4.620 4.458 0.162 1 1 327 . 16 1 1 A 28 28 ASN C C 28 176.310 174.776 1.534 1 1 328 . 16 1 1 A 28 28 ASN CA C 28 53.050 54.401 -1.351 1 1 329 . 16 1 1 A 28 28 ASN CB C 28 38.080 38.200 -0.120 1 1 330 . 16 1 1 A 28 28 ASN N N 28 117.470 119.568 -2.098 1 1 332 . 16 1 1 A 29 29 GLY H H 29 8.359 8.481 -0.122 1 1 333 . 16 1 1 A 29 29 GLY HA2 H 29 4.110 4.058 0.052 1 1 334 . 16 1 1 A 29 29 GLY HA3 H 29 3.720 4.060 -0.340 1 1 335 . 16 1 1 A 29 29 GLY C C 29 174.365 174.465 -0.100 1 1 336 . 16 1 1 A 29 29 GLY CA C 29 45.688 45.047 0.641 1 1 337 . 16 1 1 A 29 29 GLY N N 29 108.230 106.230 2.000 1 1 338 . 16 1 1 A 30 30 GLN H H 30 7.920 7.919 0.001 1 1 339 . 16 1 1 A 30 30 GLN HA H 30 4.200 4.303 -0.103 1 1 346 . 16 1 1 A 30 30 GLN C C 30 174.330 175.433 -1.103 1 1 347 . 16 1 1 A 30 30 GLN CA C 30 56.210 55.380 0.830 1 1 348 . 16 1 1 A 30 30 GLN CB C 30 29.320 28.927 0.393 1 1 350 . 16 1 1 A 30 30 GLN N N 30 119.670 121.382 -1.712 1 1 352 . 16 1 1 A 31 31 LYS H H 31 8.390 8.872 -0.482 1 1 353 . 16 1 1 A 31 31 LYS HA H 31 4.490 4.707 -0.217 1 1 362 . 16 1 1 A 31 31 LYS C C 31 176.052 174.950 1.102 1 1 363 . 16 1 1 A 31 31 LYS CA C 31 56.417 55.055 1.362 1 1 364 . 16 1 1 A 31 31 LYS CB C 31 33.414 32.673 0.741 1 1 368 . 16 1 1 A 31 31 LYS N N 31 121.950 128.317 -6.367 1 1 369 . 16 1 1 A 32 32 TYR H H 32 8.160 9.004 -0.844 1 1 370 . 16 1 1 A 32 32 TYR HA H 32 4.770 4.994 -0.224 1 1 377 . 16 1 1 A 32 32 TYR C C 32 175.560 175.098 0.462 1 1 378 . 16 1 1 A 32 32 TYR CA C 32 56.300 56.847 -0.547 1 1 379 . 16 1 1 A 32 32 TYR CB C 32 40.074 39.011 1.063 1 1 384 . 16 1 1 A 32 32 TYR N N 32 119.960 124.803 -4.843 1 1 385 . 16 1 1 A 33 33 LYS H H 33 8.397 8.637 -0.240 1 1 386 . 16 1 1 A 33 33 LYS HA H 33 4.610 4.481 0.129 1 1 395 . 16 1 1 A 33 33 LYS C C 33 174.080 174.553 -0.473 1 1 396 . 16 1 1 A 33 33 LYS CA C 33 55.512 54.974 0.538 1 1 397 . 16 1 1 A 33 33 LYS CB C 33 34.570 33.083 1.487 1 1 401 . 16 1 1 A 33 33 LYS N N 33 122.080 124.217 -2.137 1 1 402 . 16 1 1 A 34 34 ASP H H 34 8.140 8.268 -0.128 1 1 403 . 16 1 1 A 34 34 ASP HA H 34 5.040 5.063 -0.023 1 1 406 . 16 1 1 A 34 34 ASP C C 34 173.740 175.052 -1.312 1 1 407 . 16 1 1 A 34 34 ASP CA C 34 53.104 52.948 0.156 1 1 408 . 16 1 1 A 34 34 ASP CB C 34 44.290 42.593 1.697 1 1 409 . 16 1 1 A 34 34 ASP N N 34 121.430 121.906 -0.476 1 1 410 . 16 1 1 A 35 35 TYR H H 35 8.849 8.927 -0.078 1 1 411 . 16 1 1 A 35 35 TYR HA H 35 4.660 5.459 -0.799 1 1 418 . 16 1 1 A 35 35 TYR C C 35 174.450 174.478 -0.028 1 1 419 . 16 1 1 A 35 35 TYR CA C 35 57.177 57.018 0.159 1 1 420 . 16 1 1 A 35 35 TYR CB C 35 40.955 39.906 1.049 1 1 425 . 16 1 1 A 35 35 TYR N N 35 116.670 120.207 -3.537 1 1 426 . 16 1 1 A 36 36 GLU H H 36 9.144 8.886 0.258 1 1 427 . 16 1 1 A 36 36 GLU HA H 36 4.615 4.840 -0.225 1 1 432 . 16 1 1 A 36 36 GLU C C 36 175.850 174.319 1.531 1 1 433 . 16 1 1 A 36 36 GLU CA C 36 55.700 54.569 1.131 1 1 434 . 16 1 1 A 36 36 GLU CB C 36 32.541 32.601 -0.060 1 1 436 . 16 1 1 A 36 36 GLU N N 36 122.490 124.886 -2.396 1 1 437 . 16 1 1 A 37 37 TYR H H 37 8.598 8.639 -0.041 1 1 438 . 16 1 1 A 37 37 TYR HA H 37 4.090 4.882 -0.792 1 1 445 . 16 1 1 A 37 37 TYR C C 37 174.140 174.330 -0.190 1 1 446 . 16 1 1 A 37 37 TYR CA C 37 58.399 56.057 2.342 1 1 447 . 16 1 1 A 37 37 TYR CB C 37 41.690 39.283 2.407 1 1 452 . 16 1 1 A 37 37 TYR N N 37 122.480 125.782 -3.302 1 1 453 . 16 1 1 A 38 38 LYS H H 38 8.410 8.637 -0.227 1 1 454 . 16 1 1 A 38 38 LYS HA H 38 5.080 4.478 0.602 1 1 463 . 16 1 1 A 38 38 LYS C C 38 174.980 174.786 0.194 1 1 464 . 16 1 1 A 38 38 LYS CA C 38 56.133 55.775 0.358 1 1 465 . 16 1 1 A 38 38 LYS CB C 38 33.525 32.534 0.991 1 1 469 . 16 1 1 A 38 38 LYS N N 38 124.250 126.248 -1.998 1 1 470 . 16 1 1 A 39 39 LEU H H 39 8.555 8.559 -0.004 1 1 471 . 16 1 1 A 39 39 LEU HA H 39 4.865 4.998 -0.133 1 1 480 . 16 1 1 A 39 39 LEU C C 39 175.120 175.732 -0.612 1 1 481 . 16 1 1 A 39 39 LEU CA C 39 53.316 53.363 -0.047 1 1 482 . 16 1 1 A 39 39 LEU CB C 39 47.338 44.578 2.760 1 1 485 . 16 1 1 A 39 39 LEU N N 39 124.840 128.088 -3.248 1 1 486 . 16 1 1 A 40 40 THR H H 40 8.615 8.767 -0.152 1 1 487 . 16 1 1 A 40 40 THR HA H 40 4.410 4.674 -0.264 1 1 492 . 16 1 1 A 40 40 THR C C 40 173.360 173.918 -0.558 1 1 493 . 16 1 1 A 40 40 THR CA C 40 63.200 60.807 2.393 1 1 494 . 16 1 1 A 40 40 THR CB C 40 69.100 69.485 -0.385 1 1 496 . 16 1 1 A 40 40 THR N N 40 118.390 120.111 -1.721 1 1 497 . 16 1 1 A 41 41 GLY H H 41 8.545 8.931 -0.386 1 1 498 . 16 1 1 A 41 41 GLY HA2 H 41 3.030 3.646 -0.616 1 1 499 . 16 1 1 A 41 41 GLY HA3 H 41 4.910 3.962 0.948 1 1 500 . 16 1 1 A 41 41 GLY C C 41 171.375 172.473 -1.098 1 1 501 . 16 1 1 A 41 41 GLY CA C 41 43.963 44.743 -0.780 1 1 502 . 16 1 1 A 41 41 GLY N N 41 113.500 114.006 -0.506 1 1 503 . 16 1 1 A 42 42 PHE H H 42 8.650 8.872 -0.222 1 1 504 . 16 1 1 A 42 42 PHE HA H 42 5.910 5.259 0.651 1 1 512 . 16 1 1 A 42 42 PHE C C 42 176.670 175.670 1.000 1 1 513 . 16 1 1 A 42 42 PHE CA C 42 56.260 58.143 -1.883 1 1 514 . 16 1 1 A 42 42 PHE CB C 42 44.750 40.241 4.509 1 1 520 . 16 1 1 A 42 42 PHE N N 42 113.300 123.887 -10.587 1 1 521 . 16 1 1 A 43 43 ASP H H 43 9.040 8.799 0.241 1 1 522 . 16 1 1 A 43 43 ASP HA H 43 5.100 5.115 -0.015 1 1 525 . 16 1 1 A 43 43 ASP C C 43 177.790 176.994 0.796 1 1 526 . 16 1 1 A 43 43 ASP CA C 43 51.990 53.004 -1.014 1 1 527 . 16 1 1 A 43 43 ASP CB C 43 41.660 43.017 -1.357 1 1 528 . 16 1 1 A 43 43 ASP N N 43 123.450 123.926 -0.476 1 1 529 . 16 1 1 A 44 44 LYS H H 44 8.689 8.639 0.050 1 1 530 . 16 1 1 A 44 44 LYS HA H 44 3.920 4.065 -0.145 1 1 539 . 16 1 1 A 44 44 LYS C C 44 175.450 177.287 -1.837 1 1 540 . 16 1 1 A 44 44 LYS CA C 44 58.730 58.940 -0.210 1 1 541 . 16 1 1 A 44 44 LYS CB C 44 31.707 31.966 -0.259 1 1 545 . 16 1 1 A 44 44 LYS N N 44 113.360 123.781 -10.421 1 1 546 . 16 1 1 A 45 45 ASP H H 45 8.178 7.727 0.451 1 1 547 . 16 1 1 A 45 45 ASP HA H 45 4.930 4.763 0.167 1 1 550 . 16 1 1 A 45 45 ASP C C 45 176.710 176.308 0.402 1 1 551 . 16 1 1 A 45 45 ASP CA C 45 54.501 53.995 0.506 1 1 552 . 16 1 1 A 45 45 ASP CB C 45 42.260 41.386 0.874 1 1 553 . 16 1 1 A 45 45 ASP N N 45 119.050 116.660 2.390 1 1 554 . 16 1 1 A 46 46 GLY H H 46 8.853 8.052 0.801 1 1 555 . 16 1 1 A 46 46 GLY HA2 H 46 4.120 3.993 0.127 1 1 556 . 16 1 1 A 46 46 GLY HA3 H 46 3.350 4.032 -0.682 1 1 557 . 16 1 1 A 46 46 GLY C C 46 173.020 174.961 -1.941 1 1 558 . 16 1 1 A 46 46 GLY CA C 46 45.510 45.646 -0.136 1 1 559 . 16 1 1 A 46 46 GLY N N 46 110.250 108.086 2.164 1 1 560 . 16 1 1 A 47 47 LYS H H 47 8.640 7.755 0.885 1 1 561 . 16 1 1 A 47 47 LYS HA H 47 4.320 4.421 -0.101 1 1 570 . 16 1 1 A 47 47 LYS C C 47 176.180 175.840 0.340 1 1 571 . 16 1 1 A 47 47 LYS CA C 47 57.200 55.998 1.202 1 1 572 . 16 1 1 A 47 47 LYS CB C 47 32.300 33.775 -1.475 1 1 576 . 16 1 1 A 47 47 LYS N N 47 123.450 120.026 3.424 1 1 577 . 16 1 1 A 48 48 GLU H H 48 8.510 8.910 -0.400 1 1 578 . 16 1 1 A 48 48 GLU HA H 48 4.914 4.887 0.027 1 1 583 . 16 1 1 A 48 48 GLU C C 48 176.545 174.446 2.099 1 1 584 . 16 1 1 A 48 48 GLU CA C 48 55.540 55.228 0.312 1 1 585 . 16 1 1 A 48 48 GLU CB C 48 32.850 31.060 1.790 1 1 587 . 16 1 1 A 48 48 GLU N N 48 123.300 118.653 4.647 1 1 588 . 16 1 1 A 49 49 LYS H H 49 8.304 8.942 -0.638 1 1 589 . 16 1 1 A 49 49 LYS HA H 49 4.080 4.868 -0.788 1 1 598 . 16 1 1 A 49 49 LYS C C 49 173.870 175.002 -1.132 1 1 599 . 16 1 1 A 49 49 LYS CA C 49 54.797 54.523 0.274 1 1 600 . 16 1 1 A 49 49 LYS CB C 49 36.248 35.203 1.045 1 1 604 . 16 1 1 A 49 49 LYS N N 49 123.450 126.291 -2.841 1 1 605 . 16 1 1 A 50 50 GLU H H 50 8.377 8.745 -0.368 1 1 606 . 16 1 1 A 50 50 GLU HA H 50 4.298 4.792 -0.494 1 1 611 . 16 1 1 A 50 50 GLU C C 50 175.090 175.264 -0.174 1 1 612 . 16 1 1 A 50 50 GLU CA C 50 56.950 55.588 1.362 1 1 613 . 16 1 1 A 50 50 GLU CB C 50 29.872 31.039 -1.167 1 1 615 . 16 1 1 A 50 50 GLU N N 50 127.100 127.917 -0.817 1 1 616 . 16 1 1 A 51 51 LEU H H 51 8.934 9.197 -0.263 1 1 617 . 16 1 1 A 51 51 LEU HA H 51 4.517 5.155 -0.638 1 1 627 . 16 1 1 A 51 51 LEU C C 51 174.890 175.336 -0.446 1 1 628 . 16 1 1 A 51 51 LEU CA C 51 53.817 53.595 0.222 1 1 629 . 16 1 1 A 51 51 LEU CB C 51 45.254 46.611 -1.357 1 1 633 . 16 1 1 A 51 51 LEU N N 51 127.790 127.703 0.087 1 1 634 . 16 1 1 A 52 52 GLU H H 52 8.360 8.962 -0.602 1 1 635 . 16 1 1 A 52 52 GLU HA H 52 5.417 5.573 -0.156 1 1 640 . 16 1 1 A 52 52 GLU C C 52 174.890 174.855 0.035 1 1 641 . 16 1 1 A 52 52 GLU CA C 52 54.519 55.349 -0.830 1 1 642 . 16 1 1 A 52 52 GLU CB C 52 32.500 33.600 -1.100 1 1 644 . 16 1 1 A 52 52 GLU N N 52 121.180 118.928 2.252 1 1 645 . 16 1 1 A 53 53 PHE H H 53 8.465 8.485 -0.020 1 1 646 . 16 1 1 A 53 53 PHE HA H 53 5.130 5.205 -0.075 1 1 654 . 16 1 1 A 53 53 PHE C C 53 172.660 172.889 -0.229 1 1 655 . 16 1 1 A 53 53 PHE CA C 53 56.508 56.786 -0.278 1 1 656 . 16 1 1 A 53 53 PHE CB C 53 40.095 41.023 -0.928 1 1 662 . 16 1 1 A 53 53 PHE N N 53 118.940 117.177 1.763 1 1 663 . 16 1 1 A 54 54 THR H H 54 8.622 9.083 -0.461 1 1 664 . 16 1 1 A 54 54 THR HA H 54 5.530 5.393 0.137 1 1 669 . 16 1 1 A 54 54 THR C C 54 173.470 174.144 -0.674 1 1 670 . 16 1 1 A 54 54 THR CA C 54 60.148 60.624 -0.476 1 1 671 . 16 1 1 A 54 54 THR CB C 54 71.820 70.238 1.582 1 1 673 . 16 1 1 A 54 54 THR N N 54 112.280 112.721 -0.441 1 1 674 . 16 1 1 A 55 55 ALA H H 55 9.710 9.281 0.429 1 1 675 . 16 1 1 A 55 55 ALA HA H 55 5.354 5.152 0.202 1 1 679 . 16 1 1 A 55 55 ALA C C 55 176.720 177.973 -1.253 1 1 680 . 16 1 1 A 55 55 ALA CA C 55 50.568 50.939 -0.371 1 1 681 . 16 1 1 A 55 55 ALA CB C 55 24.180 20.627 3.553 1 1 682 . 16 1 1 A 55 55 ALA N N 55 126.340 129.333 -2.993 1 1 683 . 16 1 1 A 56 56 GLN H H 56 9.130 8.818 0.312 1 1 684 . 16 1 1 A 56 56 GLN HA H 56 5.030 4.386 0.644 1 1 691 . 16 1 1 A 56 56 GLN C C 56 174.960 176.064 -1.104 1 1 692 . 16 1 1 A 56 56 GLN CA C 56 56.820 58.264 -1.444 1 1 693 . 16 1 1 A 56 56 GLN CB C 56 29.180 30.109 -0.929 1 1 695 . 16 1 1 A 56 56 GLN N N 56 118.540 122.079 -3.539 1 1 697 . 16 1 1 A 57 57 LYS H H 57 7.656 7.877 -0.221 1 1 698 . 16 1 1 A 57 57 LYS HA H 57 4.360 4.929 -0.569 1 1 707 . 16 1 1 A 57 57 LYS C C 57 172.490 175.613 -3.123 1 1 708 . 16 1 1 A 57 57 LYS CA C 57 54.351 54.642 -0.291 1 1 709 . 16 1 1 A 57 57 LYS CB C 57 35.360 36.413 -1.053 1 1 713 . 16 1 1 A 57 57 LYS N N 57 116.270 118.020 -1.750 1 1 714 . 16 1 1 A 58 58 ASN H H 58 7.709 8.808 -1.099 1 1 715 . 16 1 1 A 58 58 ASN HA H 58 4.000 4.633 -0.633 1 1 720 . 16 1 1 A 58 58 ASN C C 58 175.490 174.574 0.916 1 1 721 . 16 1 1 A 58 58 ASN CA C 58 53.498 52.129 1.369 1 1 722 . 16 1 1 A 58 58 ASN CB C 58 38.538 37.567 0.971 1 1 723 . 16 1 1 A 58 58 ASN N N 58 117.960 120.196 -2.236 1 1 725 . 16 1 1 A 59 59 LEU H H 59 7.940 7.963 -0.023 1 1 726 . 16 1 1 A 59 59 LEU HA H 59 3.950 4.498 -0.548 1 1 736 . 16 1 1 A 59 59 LEU C C 59 176.410 176.427 -0.017 1 1 737 . 16 1 1 A 59 59 LEU CA C 59 54.550 53.686 0.864 1 1 738 . 16 1 1 A 59 59 LEU CB C 59 42.370 43.718 -1.348 1 1 742 . 16 1 1 A 59 59 LEU N N 59 128.190 123.217 4.973 1 1 743 . 16 1 1 A 60 60 ARG H H 60 8.355 8.463 -0.108 1 1 744 . 16 1 1 A 60 60 ARG HA H 60 3.870 4.180 -0.310 1 1 752 . 16 1 1 A 60 60 ARG C C 60 175.350 176.189 -0.839 1 1 753 . 16 1 1 A 60 60 ARG CA C 60 56.695 56.332 0.363 1 1 754 . 16 1 1 A 60 60 ARG CB C 60 31.290 30.410 0.880 1 1 757 . 16 1 1 A 60 60 ARG N N 60 123.759 120.310 3.449 1 1 759 . 16 1 1 A 61 61 LYS H H 61 8.178 8.580 -0.402 1 1 760 . 16 1 1 A 61 61 LYS HA H 61 3.680 3.948 -0.268 1 1 769 . 16 1 1 A 61 61 LYS C C 61 177.290 178.074 -0.784 1 1 770 . 16 1 1 A 61 61 LYS CA C 61 58.733 59.441 -0.708 1 1 771 . 16 1 1 A 61 61 LYS CB C 61 31.564 32.225 -0.661 1 1 775 . 16 1 1 A 61 61 LYS N N 61 125.600 125.304 0.296 1 1 776 . 16 1 1 A 62 62 GLU H H 62 8.949 7.446 1.503 1 1 777 . 16 1 1 A 62 62 GLU HA H 62 3.340 4.295 -0.955 1 1 782 . 16 1 1 A 62 62 GLU C C 62 176.170 176.509 -0.339 1 1 783 . 16 1 1 A 62 62 GLU CA C 62 59.156 56.421 2.735 1 1 784 . 16 1 1 A 62 62 GLU CB C 62 28.040 30.176 -2.136 1 1 786 . 16 1 1 A 62 62 GLU N N 62 112.860 116.243 -3.383 1 1 787 . 16 1 1 A 63 63 ALA H H 63 7.604 7.101 0.503 1 1 788 . 16 1 1 A 63 63 ALA HA H 63 4.020 4.388 -0.368 1 1 792 . 16 1 1 A 63 63 ALA C C 63 175.530 177.277 -1.747 1 1 793 . 16 1 1 A 63 63 ALA CA C 63 53.074 52.162 0.912 1 1 794 . 16 1 1 A 63 63 ALA CB C 63 19.323 20.111 -0.788 1 1 795 . 16 1 1 A 63 63 ALA N N 63 122.700 123.489 -0.789 1 1 796 . 16 1 1 A 64 64 PHE H H 64 8.876 9.386 -0.510 1 1 797 . 16 1 1 A 64 64 PHE HA H 64 5.470 5.437 0.033 1 1 802 . 16 1 1 A 64 64 PHE C C 64 175.480 174.947 0.533 1 1 803 . 16 1 1 A 64 64 PHE CA C 64 56.780 56.804 -0.024 1 1 804 . 16 1 1 A 64 64 PHE CB C 64 41.566 40.346 1.220 1 1 807 . 16 1 1 A 64 64 PHE N N 64 118.670 119.105 -0.435 1 1 808 . 16 1 1 A 65 65 LEU H H 65 8.870 9.360 -0.490 1 1 809 . 16 1 1 A 65 65 LEU HA H 65 5.390 5.083 0.307 1 1 819 . 16 1 1 A 65 65 LEU C C 65 176.030 176.077 -0.047 1 1 820 . 16 1 1 A 65 65 LEU CA C 65 52.926 53.752 -0.826 1 1 821 . 16 1 1 A 65 65 LEU CB C 65 45.561 41.883 3.678 1 1 825 . 16 1 1 A 65 65 LEU N N 65 118.700 126.036 -7.336 1 1 826 . 16 1 1 A 66 66 ARG H H 66 9.031 9.076 -0.045 1 1 827 . 16 1 1 A 66 66 ARG HA H 66 4.345 4.533 -0.188 1 1 835 . 16 1 1 A 66 66 ARG C C 66 174.220 176.061 -1.841 1 1 836 . 16 1 1 A 66 66 ARG CA C 66 54.957 55.363 -0.406 1 1 837 . 16 1 1 A 66 66 ARG CB C 66 32.885 29.648 3.237 1 1 840 . 16 1 1 A 66 66 ARG N N 66 121.590 125.183 -3.593 1 1 842 . 16 1 1 A 67 67 VAL H H 67 9.359 8.216 1.143 1 1 843 . 16 1 1 A 67 67 VAL HA H 67 4.400 4.422 -0.022 1 1 851 . 16 1 1 A 67 67 VAL C C 67 174.070 174.836 -0.766 1 1 852 . 16 1 1 A 67 67 VAL CA C 67 60.910 61.724 -0.814 1 1 853 . 16 1 1 A 67 67 VAL CB C 67 33.960 32.925 1.035 1 1 856 . 16 1 1 A 67 67 VAL N N 67 126.230 121.253 4.977 1 1 857 . 16 1 1 A 68 68 TYR H H 68 8.710 8.715 -0.005 1 1 858 . 16 1 1 A 68 68 TYR HA H 68 5.070 4.908 0.162 1 1 865 . 16 1 1 A 68 68 TYR C C 68 175.390 174.590 0.800 1 1 866 . 16 1 1 A 68 68 TYR CA C 68 57.290 56.620 0.670 1 1 867 . 16 1 1 A 68 68 TYR CB C 68 38.690 39.786 -1.096 1 1 872 . 16 1 1 A 68 68 TYR N N 68 125.200 126.268 -1.068 1 1 873 . 16 1 1 A 69 69 HIS H H 69 9.224 8.969 0.255 1 1 874 . 16 1 1 A 69 69 HIS HA H 69 5.200 4.771 0.429 1 1 879 . 16 1 1 A 69 69 HIS C C 69 173.600 173.757 -0.157 1 1 880 . 16 1 1 A 69 69 HIS CA C 69 56.502 54.434 2.068 1 1 881 . 16 1 1 A 69 69 HIS CB C 69 35.873 29.396 6.477 1 1 884 . 16 1 1 A 69 69 HIS N N 69 124.780 129.210 -4.430 1 1 885 . 16 1 1 A 70 70 SER H H 70 7.425 8.474 -1.049 1 1 886 . 16 1 1 A 70 70 SER HA H 70 4.800 4.208 0.592 1 1 889 . 16 1 1 A 70 70 SER C C 70 173.790 174.920 -1.130 1 1 890 . 16 1 1 A 70 70 SER CA C 70 56.840 57.839 -0.999 1 1 891 . 16 1 1 A 70 70 SER CB C 70 66.500 64.202 2.298 1 1 892 . 16 1 1 A 70 70 SER N N 70 118.910 122.935 -4.025 1 1 893 . 16 1 1 A 71 71 ASP H H 71 9.020 9.002 0.018 1 1 894 . 16 1 1 A 71 71 ASP HA H 71 4.390 4.146 0.244 1 1 897 . 16 1 1 A 71 71 ASP C C 71 178.030 177.206 0.824 1 1 898 . 16 1 1 A 71 71 ASP CA C 71 57.220 57.849 -0.629 1 1 899 . 16 1 1 A 71 71 ASP CB C 71 40.622 40.845 -0.223 1 1 900 . 16 1 1 A 71 71 ASP N N 71 123.340 124.731 -1.391 1 1 901 . 16 1 1 A 72 72 LYS H H 72 8.220 7.779 0.441 1 1 902 . 16 1 1 A 72 72 LYS HA H 72 4.123 4.252 -0.129 1 1 911 . 16 1 1 A 72 72 LYS C C 72 177.560 176.271 1.289 1 1 912 . 16 1 1 A 72 72 LYS CA C 72 58.383 55.877 2.506 1 1 913 . 16 1 1 A 72 72 LYS CB C 72 32.778 31.686 1.092 1 1 917 . 16 1 1 A 72 72 LYS N N 72 116.640 115.144 1.496 1 1 918 . 16 1 1 A 73 73 LYS H H 73 7.367 8.169 -0.802 1 1 919 . 16 1 1 A 73 73 LYS HA H 73 4.449 4.245 0.204 1 1 928 . 16 1 1 A 73 73 LYS C C 73 176.750 176.842 -0.092 1 1 929 . 16 1 1 A 73 73 LYS CA C 73 55.614 56.613 -0.999 1 1 930 . 16 1 1 A 73 73 LYS CB C 73 33.910 32.297 1.613 1 1 934 . 16 1 1 A 73 73 LYS N N 73 115.780 120.295 -4.515 1 1 935 . 16 1 1 A 74 74 GLY H H 74 8.240 8.797 -0.557 1 1 936 . 16 1 1 A 74 74 GLY HA2 H 74 3.630 3.958 -0.328 1 1 937 . 16 1 1 A 74 74 GLY HA3 H 74 4.240 3.969 0.271 1 1 938 . 16 1 1 A 74 74 GLY C C 74 174.817 174.476 0.341 1 1 939 . 16 1 1 A 74 74 GLY CA C 74 45.075 45.997 -0.922 1 1 940 . 16 1 1 A 74 74 GLY N N 74 110.370 114.034 -3.664 1 1 941 . 16 1 1 A 75 75 VAL H H 75 9.140 8.297 0.843 1 1 942 . 16 1 1 A 75 75 VAL HA H 75 4.640 4.779 -0.139 1 1 950 . 16 1 1 A 75 75 VAL C C 75 177.000 175.328 1.672 1 1 951 . 16 1 1 A 75 75 VAL CA C 75 63.550 63.649 -0.099 1 1 952 . 16 1 1 A 75 75 VAL CB C 75 32.237 30.875 1.362 1 1 955 . 16 1 1 A 75 75 VAL N N 75 124.300 114.043 10.257 1 1 956 . 16 1 1 A 76 76 SER H H 76 9.020 8.699 0.321 1 1 957 . 16 1 1 A 76 76 SER HA H 76 4.640 4.674 -0.034 1 1 960 . 16 1 1 A 76 76 SER C C 76 174.250 173.633 0.617 1 1 961 . 16 1 1 A 76 76 SER CA C 76 58.440 58.998 -0.558 1 1 962 . 16 1 1 A 76 76 SER CB C 76 64.550 64.948 -0.398 1 1 963 . 16 1 1 A 76 76 SER N N 76 122.490 121.885 0.605 1 1 964 . 16 1 1 A 77 77 ALA H H 77 7.890 7.619 0.271 1 1 965 . 16 1 1 A 77 77 ALA HA H 77 4.420 4.590 -0.170 1 1 969 . 16 1 1 A 77 77 ALA C C 77 174.430 175.259 -0.829 1 1 970 . 16 1 1 A 77 77 ALA CA C 77 51.940 51.373 0.567 1 1 971 . 16 1 1 A 77 77 ALA CB C 77 22.234 22.442 -0.208 1 1 972 . 16 1 1 A 77 77 ALA N N 77 122.930 119.964 2.966 1 1 973 . 16 1 1 A 78 78 TRP H H 78 7.776 8.247 -0.471 1 1 974 . 16 1 1 A 78 78 TRP HA H 78 5.690 5.446 0.244 1 1 982 . 16 1 1 A 78 78 TRP C C 78 174.450 172.901 1.549 1 1 983 . 16 1 1 A 78 78 TRP CA C 78 55.899 55.278 0.621 1 1 984 . 16 1 1 A 78 78 TRP CB C 78 32.602 32.297 0.305 1 1 989 . 16 1 1 A 78 78 TRP N N 78 114.705 116.419 -1.714 1 1 991 . 16 1 1 A 79 79 GLU H H 79 9.210 8.688 0.522 1 1 992 . 16 1 1 A 79 79 GLU HA H 79 4.730 5.074 -0.344 1 1 997 . 16 1 1 A 79 79 GLU C C 79 174.130 174.568 -0.438 1 1 998 . 16 1 1 A 79 79 GLU CA C 79 54.939 54.861 0.078 1 1 999 . 16 1 1 A 79 79 GLU CB C 79 31.656 32.798 -1.142 1 1 1001 . 16 1 1 A 79 79 GLU N N 79 114.860 120.401 -5.541 1 1 1002 . 16 1 1 A 80 80 GLU H H 80 9.120 8.822 0.298 1 1 1003 . 16 1 1 A 80 80 GLU HA H 80 5.030 4.934 0.096 1 1 1008 . 16 1 1 A 80 80 GLU C C 80 176.580 176.153 0.427 1 1 1009 . 16 1 1 A 80 80 GLU CA C 80 57.193 55.164 2.029 1 1 1010 . 16 1 1 A 80 80 GLU CB C 80 29.856 30.976 -1.120 1 1 1012 . 16 1 1 A 80 80 GLU N N 80 123.960 124.061 -0.101 1 1 1013 . 16 1 1 A 81 81 VAL H H 81 8.694 8.991 -0.297 1 1 1014 . 16 1 1 A 81 81 VAL HA H 81 4.780 5.156 -0.376 1 1 1022 . 16 1 1 A 81 81 VAL C C 81 174.460 175.160 -0.700 1 1 1023 . 16 1 1 A 81 81 VAL CA C 81 58.927 58.920 0.007 1 1 1024 . 16 1 1 A 81 81 VAL CB C 81 35.550 36.229 -0.679 1 1 1027 . 16 1 1 A 81 81 VAL N N 81 118.990 120.892 -1.902 1 1 1028 . 16 1 1 A 82 82 LYS H H 82 8.708 8.622 0.086 1 1 1029 . 16 1 1 A 82 82 LYS HA H 82 4.580 5.023 -0.443 1 1 1038 . 16 1 1 A 82 82 LYS C C 82 178.380 177.659 0.721 1 1 1039 . 16 1 1 A 82 82 LYS CA C 82 55.212 54.542 0.670 1 1 1040 . 16 1 1 A 82 82 LYS CB C 82 33.689 35.002 -1.313 1 1 1044 . 16 1 1 A 82 82 LYS N N 82 120.850 120.586 0.264 1 1 1045 . 16 1 1 A 83 83 LYS H H 83 8.870 9.158 -0.288 1 1 1046 . 16 1 1 A 83 83 LYS HA H 83 3.180 3.591 -0.411 1 1 1055 . 16 1 1 A 83 83 LYS C C 83 177.690 177.798 -0.108 1 1 1056 . 16 1 1 A 83 83 LYS CA C 83 59.370 58.424 0.946 1 1 1057 . 16 1 1 A 83 83 LYS CB C 83 32.209 31.832 0.377 1 1 1061 . 16 1 1 A 83 83 LYS N N 83 121.435 121.103 0.332 1 1 1062 . 16 1 1 A 84 84 ASP H H 84 8.059 8.133 -0.074 1 1 1063 . 16 1 1 A 84 84 ASP HA H 84 4.220 4.456 -0.236 1 1 1066 . 16 1 1 A 84 84 ASP C C 84 177.100 177.859 -0.759 1 1 1067 . 16 1 1 A 84 84 ASP CA C 84 55.680 56.708 -1.028 1 1 1068 . 16 1 1 A 84 84 ASP CB C 84 40.392 40.474 -0.082 1 1 1069 . 16 1 1 A 84 84 ASP N N 84 112.520 118.909 -6.389 1 1 1070 . 16 1 1 A 85 85 GLU H H 85 7.686 8.038 -0.352 1 1 1071 . 16 1 1 A 85 85 GLU HA H 85 4.136 4.320 -0.184 1 1 1076 . 16 1 1 A 85 85 GLU C C 85 176.270 176.021 0.249 1 1 1077 . 16 1 1 A 85 85 GLU CA C 85 56.133 56.383 -0.250 1 1 1078 . 16 1 1 A 85 85 GLU CB C 85 30.479 29.322 1.157 1 1 1080 . 16 1 1 A 85 85 GLU N N 85 116.930 114.920 2.010 1 1 1081 . 16 1 1 A 86 86 LEU H H 86 7.017 7.395 -0.378 1 1 1082 . 16 1 1 A 86 86 LEU HA H 86 3.710 4.233 -0.523 1 1 1092 . 16 1 1 A 86 86 LEU CA C 86 52.600 51.701 0.899 1 1 1093 . 16 1 1 A 86 86 LEU CB C 86 42.120 41.495 0.625 1 1 1097 . 16 1 1 A 86 86 LEU N N 86 119.530 123.992 -4.462 1 1 1098 . 16 1 1 A 87 87 PRO HA H 87 4.330 4.653 -0.323 1 1 1105 . 16 1 1 A 87 87 PRO C C 87 176.940 177.822 -0.882 1 1 1106 . 16 1 1 A 87 87 PRO CA C 87 62.400 62.368 0.032 1 1 1107 . 16 1 1 A 87 87 PRO CB C 87 32.537 31.447 1.090 1 1 1110 . 16 1 1 A 88 88 ALA H H 88 8.943 8.579 0.364 1 1 1111 . 16 1 1 A 88 88 ALA HA H 88 3.780 3.956 -0.176 1 1 1115 . 16 1 1 A 88 88 ALA C C 88 180.520 179.510 1.010 1 1 1116 . 16 1 1 A 88 88 ALA CA C 88 56.911 54.922 1.989 1 1 1117 . 16 1 1 A 88 88 ALA CB C 88 18.502 18.161 0.341 1 1 1118 . 16 1 1 A 88 88 ALA N N 88 128.160 128.082 0.078 1 1 1119 . 16 1 1 A 89 89 LYS H H 89 9.270 8.193 1.077 1 1 1120 . 16 1 1 A 89 89 LYS HA H 89 3.990 3.939 0.051 1 1 1129 . 16 1 1 A 89 89 LYS C C 89 179.070 179.206 -0.136 1 1 1130 . 16 1 1 A 89 89 LYS CA C 89 58.648 59.232 -0.584 1 1 1131 . 16 1 1 A 89 89 LYS CB C 89 31.962 32.483 -0.521 1 1 1135 . 16 1 1 A 89 89 LYS N N 89 115.610 117.912 -2.302 1 1 1136 . 16 1 1 A 90 90 VAL H H 90 6.846 8.119 -1.273 1 1 1137 . 16 1 1 A 90 90 VAL HA H 90 3.230 3.825 -0.595 1 1 1145 . 16 1 1 A 90 90 VAL C C 90 177.100 177.346 -0.246 1 1 1146 . 16 1 1 A 90 90 VAL CA C 90 65.870 64.650 1.220 1 1 1147 . 16 1 1 A 90 90 VAL CB C 90 30.880 30.994 -0.114 1 1 1150 . 16 1 1 A 90 90 VAL N N 90 117.560 119.637 -2.077 1 1 1151 . 16 1 1 A 91 91 LYS H H 91 7.850 7.719 0.131 1 1 1152 . 16 1 1 A 91 91 LYS HA H 91 3.430 3.983 -0.553 1 1 1161 . 16 1 1 A 91 91 LYS C C 91 178.420 179.004 -0.584 1 1 1162 . 16 1 1 A 91 91 LYS CA C 91 61.028 59.066 1.962 1 1 1163 . 16 1 1 A 91 91 LYS CB C 91 32.387 31.810 0.577 1 1 1167 . 16 1 1 A 91 91 LYS N N 91 118.750 121.241 -2.491 1 1 1168 . 16 1 1 A 92 92 GLU H H 92 7.282 7.974 -0.692 1 1 1169 . 16 1 1 A 92 92 GLU HA H 92 3.990 4.167 -0.177 1 1 1174 . 16 1 1 A 92 92 GLU C C 92 179.380 178.963 0.417 1 1 1175 . 16 1 1 A 92 92 GLU CA C 92 59.030 58.901 0.129 1 1 1176 . 16 1 1 A 92 92 GLU CB C 92 29.841 29.504 0.337 1 1 1178 . 16 1 1 A 92 92 GLU N N 92 115.375 117.995 -2.620 1 1 1179 . 16 1 1 A 93 93 LYS H H 93 7.343 7.914 -0.571 1 1 1180 . 16 1 1 A 93 93 LYS HA H 93 3.800 4.172 -0.372 1 1 1189 . 16 1 1 A 93 93 LYS C C 93 178.310 177.092 1.218 1 1 1190 . 16 1 1 A 93 93 LYS CA C 93 56.970 58.527 -1.557 1 1 1191 . 16 1 1 A 93 93 LYS CB C 93 30.740 32.919 -2.179 1 1 1195 . 16 1 1 A 93 93 LYS N N 93 118.370 119.510 -1.140 1 1 1196 . 16 1 1 A 94 94 LEU H H 94 8.000 8.003 -0.003 1 1 1197 . 16 1 1 A 94 94 LEU HA H 94 4.360 3.871 0.489 1 1 1207 . 16 1 1 A 94 94 LEU C C 94 177.350 177.532 -0.182 1 1 1208 . 16 1 1 A 94 94 LEU CA C 94 54.765 56.476 -1.711 1 1 1209 . 16 1 1 A 94 94 LEU CB C 94 42.796 41.839 0.957 1 1 1213 . 16 1 1 A 94 94 LEU N N 94 115.600 120.459 -4.859 1 1 1214 . 16 1 1 A 95 95 GLY H H 95 7.601 8.728 -1.127 1 1 1215 . 16 1 1 A 95 95 GLY HA2 H 95 3.830 3.930 -0.100 1 1 1216 . 16 1 1 A 95 95 GLY HA3 H 95 3.950 3.957 -0.007 1 1 1217 . 16 1 1 A 95 95 GLY C C 95 174.790 173.672 1.118 1 1 1218 . 16 1 1 A 95 95 GLY CA C 95 46.550 45.161 1.389 1 1 1219 . 16 1 1 A 95 95 GLY N N 95 108.540 114.973 -6.433 1 1 1220 . 16 1 1 A 96 96 VAL H H 96 7.957 7.163 0.794 1 1 1221 . 16 1 1 A 96 96 VAL HA H 96 3.940 4.765 -0.825 1 1 1229 . 16 1 1 A 96 96 VAL C C 96 175.540 173.873 1.667 1 1 1230 . 16 1 1 A 96 96 VAL CA C 96 62.314 59.483 2.831 1 1 1231 . 16 1 1 A 96 96 VAL CB C 96 32.155 35.156 -3.001 1 1 1234 . 16 1 1 A 96 96 VAL N N 96 119.490 116.158 3.332 1 1 1235 . 16 1 1 A 97 97 LYS H H 97 8.293 9.066 -0.773 1 1 1236 . 16 1 1 A 97 97 LYS HA H 97 4.210 4.974 -0.764 1 1 1245 . 16 1 1 A 97 97 LYS C C 97 176.290 175.570 0.720 1 1 1246 . 16 1 1 A 97 97 LYS CA C 97 56.174 54.966 1.208 1 1 1247 . 16 1 1 A 97 97 LYS CB C 97 33.200 34.443 -1.243 1 1 1251 . 16 1 1 A 97 97 LYS N N 97 126.120 125.648 0.472 1 1 1252 . 16 1 1 A 98 98 LEU H H 98 8.315 8.414 -0.099 1 1 1253 . 16 1 1 A 98 98 LEU HA H 98 4.240 4.898 -0.658 1 1 1263 . 16 1 1 A 98 98 LEU C C 98 176.930 176.696 0.234 1 1 1264 . 16 1 1 A 98 98 LEU CA C 98 54.800 52.998 1.802 1 1 1265 . 16 1 1 A 98 98 LEU CB C 98 42.217 45.385 -3.168 1 1 1269 . 16 1 1 A 98 98 LEU N N 98 124.170 122.832 1.338 1 1 1270 . 16 1 1 A 99 99 GLU H H 99 8.375 9.051 -0.676 1 1 1271 . 16 1 1 A 99 99 GLU HA H 99 4.175 4.169 0.006 1 1 1276 . 16 1 1 A 99 99 GLU C C 99 176.035 176.074 -0.039 1 1 1277 . 16 1 1 A 99 99 GLU CA C 99 56.352 58.929 -2.577 1 1 1278 . 16 1 1 A 99 99 GLU CB C 99 30.460 31.062 -0.602 1 1 1280 . 16 1 1 A 99 99 GLU N N 99 122.010 120.787 1.223 1 1 1281 . 16 1 1 A 100 100 HIS H H 100 8.350 7.908 0.442 1 1 1282 . 16 1 1 A 100 100 HIS HA H 100 4.565 4.654 -0.089 1 1 1285 . 16 1 1 A 100 100 HIS C C 100 173.880 173.648 0.232 1 1 1286 . 16 1 1 A 100 100 HIS CA C 100 56.050 58.148 -2.098 1 1 1287 . 16 1 1 A 100 100 HIS CB C 100 30.144 28.516 1.628 1 1 1288 . 16 1 1 A 100 100 HIS N N 100 120.245 117.042 3.203 1 1 1289 . 16 1 1 A 101 101 HIS H H 101 8.134 8.561 -0.427 1 1 1290 . 16 1 1 A 101 101 HIS HA H 101 4.410 5.153 -0.743 1 1 1293 . 16 1 1 A 101 101 HIS CA C 101 57.290 53.889 3.401 1 1 1294 . 16 1 1 A 101 101 HIS CB C 101 31.450 31.564 -0.114 1 1 1 . 17 1 1 A 2 2 ASP HA H 2 4.670 4.737 -0.067 1 1 4 . 17 1 1 A 2 2 ASP C C 2 176.480 175.967 0.513 1 1 5 . 17 1 1 A 2 2 ASP CA C 2 53.400 54.269 -0.869 1 1 6 . 17 1 1 A 2 2 ASP CB C 2 41.170 40.499 0.671 1 1 7 . 17 1 1 A 3 3 LEU H H 3 8.650 8.537 0.113 1 1 8 . 17 1 1 A 3 3 LEU HA H 3 4.116 4.713 -0.597 1 1 18 . 17 1 1 A 3 3 LEU C C 3 177.880 177.404 0.476 1 1 19 . 17 1 1 A 3 3 LEU CA C 3 56.390 54.541 1.849 1 1 20 . 17 1 1 A 3 3 LEU CB C 3 41.660 42.148 -0.488 1 1 24 . 17 1 1 A 3 3 LEU N N 3 125.300 126.410 -1.110 1 1 25 . 17 1 1 A 4 4 ASN H H 4 8.370 8.239 0.131 1 1 26 . 17 1 1 A 4 4 ASN HA H 4 4.490 4.629 -0.139 1 1 31 . 17 1 1 A 4 4 ASN C C 4 175.050 175.580 -0.530 1 1 32 . 17 1 1 A 4 4 ASN CA C 4 54.320 55.389 -1.069 1 1 33 . 17 1 1 A 4 4 ASN CB C 4 38.240 39.737 -1.497 1 1 34 . 17 1 1 A 4 4 ASN N N 4 116.550 117.335 -0.785 1 1 36 . 17 1 1 A 5 5 ARG H H 5 7.645 7.928 -0.283 1 1 37 . 17 1 1 A 5 5 ARG HA H 5 3.920 4.625 -0.705 1 1 45 . 17 1 1 A 5 5 ARG C C 5 176.030 174.759 1.271 1 1 46 . 17 1 1 A 5 5 ARG CA C 5 56.180 54.711 1.469 1 1 47 . 17 1 1 A 5 5 ARG CB C 5 31.570 31.579 -0.009 1 1 50 . 17 1 1 A 5 5 ARG N N 5 118.590 118.301 0.289 1 1 52 . 17 1 1 A 6 6 MET H H 6 7.809 8.408 -0.599 1 1 53 . 17 1 1 A 6 6 MET HA H 6 4.355 4.781 -0.426 1 1 58 . 17 1 1 A 6 6 MET C C 6 176.940 176.718 0.222 1 1 59 . 17 1 1 A 6 6 MET CA C 6 56.290 54.660 1.630 1 1 60 . 17 1 1 A 6 6 MET CB C 6 33.020 33.452 -0.432 1 1 62 . 17 1 1 A 6 6 MET N N 6 120.180 124.131 -3.951 1 1 63 . 17 1 1 A 7 7 GLY H H 7 8.906 8.722 0.184 1 1 64 . 17 1 1 A 7 7 GLY HA2 H 7 3.870 3.891 -0.021 1 1 65 . 17 1 1 A 7 7 GLY HA3 H 7 3.950 3.922 0.028 1 1 66 . 17 1 1 A 7 7 GLY C C 7 174.280 173.748 0.532 1 1 67 . 17 1 1 A 7 7 GLY CA C 7 46.110 47.431 -1.321 1 1 68 . 17 1 1 A 7 7 GLY N N 7 112.660 110.926 1.734 1 1 69 . 17 1 1 A 8 8 LYS H H 8 7.819 8.290 -0.471 1 1 70 . 17 1 1 A 8 8 LYS HA H 8 4.550 4.552 -0.002 1 1 79 . 17 1 1 A 8 8 LYS C C 8 176.060 175.097 0.963 1 1 80 . 17 1 1 A 8 8 LYS CA C 8 54.444 55.283 -0.839 1 1 81 . 17 1 1 A 8 8 LYS CB C 8 33.760 31.639 2.121 1 1 85 . 17 1 1 A 8 8 LYS N N 8 119.130 121.021 -1.891 1 1 86 . 17 1 1 A 9 9 ASP H H 9 8.790 8.418 0.372 1 1 87 . 17 1 1 A 9 9 ASP HA H 9 4.730 4.864 -0.134 1 1 90 . 17 1 1 A 9 9 ASP C C 9 174.530 174.812 -0.282 1 1 91 . 17 1 1 A 9 9 ASP CA C 9 54.560 53.536 1.024 1 1 92 . 17 1 1 A 9 9 ASP CB C 9 42.530 42.074 0.456 1 1 93 . 17 1 1 A 9 9 ASP N N 9 121.550 125.066 -3.516 1 1 94 . 17 1 1 A 10 10 GLU H H 10 7.950 8.730 -0.780 1 1 95 . 17 1 1 A 10 10 GLU HA H 10 4.570 5.335 -0.765 1 1 100 . 17 1 1 A 10 10 GLU C C 10 174.080 173.699 0.381 1 1 101 . 17 1 1 A 10 10 GLU CA C 10 54.640 55.173 -0.533 1 1 102 . 17 1 1 A 10 10 GLU CB C 10 31.380 31.717 -0.337 1 1 104 . 17 1 1 A 10 10 GLU N N 10 119.640 117.332 2.308 1 1 105 . 17 1 1 A 11 11 TYR H H 11 8.767 8.998 -0.231 1 1 106 . 17 1 1 A 11 11 TYR HA H 11 4.555 4.937 -0.382 1 1 113 . 17 1 1 A 11 11 TYR C C 11 173.480 174.756 -1.276 1 1 114 . 17 1 1 A 11 11 TYR CA C 11 56.360 56.579 -0.219 1 1 115 . 17 1 1 A 11 11 TYR CB C 11 43.860 39.989 3.871 1 1 120 . 17 1 1 A 11 11 TYR N N 11 120.960 125.095 -4.135 1 1 121 . 17 1 1 A 12 12 TYR H H 12 9.290 9.103 0.187 1 1 122 . 17 1 1 A 12 12 TYR HA H 12 5.730 5.094 0.636 1 1 129 . 17 1 1 A 12 12 TYR C C 12 175.700 175.919 -0.219 1 1 130 . 17 1 1 A 12 12 TYR CA C 12 56.680 57.494 -0.814 1 1 131 . 17 1 1 A 12 12 TYR CB C 12 42.180 38.007 4.173 1 1 136 . 17 1 1 A 12 12 TYR N N 12 118.880 123.621 -4.741 1 1 137 . 17 1 1 A 13 13 VAL H H 13 8.670 9.021 -0.351 1 1 138 . 17 1 1 A 13 13 VAL HA H 13 5.050 5.131 -0.081 1 1 146 . 17 1 1 A 13 13 VAL C C 13 174.820 175.455 -0.635 1 1 147 . 17 1 1 A 13 13 VAL CA C 13 58.130 60.270 -2.140 1 1 148 . 17 1 1 A 13 13 VAL CB C 13 35.890 34.807 1.083 1 1 151 . 17 1 1 A 13 13 VAL N N 13 112.280 118.432 -6.152 1 1 152 . 17 1 1 A 14 14 GLN H H 14 8.760 8.446 0.314 1 1 153 . 17 1 1 A 14 14 GLN HA H 14 5.090 4.483 0.607 1 1 160 . 17 1 1 A 14 14 GLN C C 14 175.000 175.459 -0.459 1 1 161 . 17 1 1 A 14 14 GLN CA C 14 53.520 55.252 -1.732 1 1 162 . 17 1 1 A 14 14 GLN CB C 14 31.250 29.148 2.102 1 1 164 . 17 1 1 A 14 14 GLN N N 14 120.910 124.224 -3.314 1 1 166 . 17 1 1 A 15 15 ILE H H 15 8.843 8.509 0.334 1 1 167 . 17 1 1 A 15 15 ILE HA H 15 3.900 4.017 -0.117 1 1 177 . 17 1 1 A 15 15 ILE C C 15 177.090 177.682 -0.592 1 1 178 . 17 1 1 A 15 15 ILE CA C 15 59.269 62.131 -2.862 1 1 179 . 17 1 1 A 15 15 ILE CB C 15 34.050 36.998 -2.948 1 1 183 . 17 1 1 A 15 15 ILE N N 15 125.520 122.665 2.855 1 1 184 . 17 1 1 A 16 16 THR H H 16 7.996 8.756 -0.760 1 1 185 . 17 1 1 A 16 16 THR HA H 16 4.540 4.288 0.252 1 1 190 . 17 1 1 A 16 16 THR C C 16 173.650 175.016 -1.366 1 1 191 . 17 1 1 A 16 16 THR CA C 16 61.180 63.728 -2.548 1 1 192 . 17 1 1 A 16 16 THR CB C 16 69.300 68.625 0.675 1 1 194 . 17 1 1 A 16 16 THR N N 16 118.080 119.502 -1.422 1 1 195 . 17 1 1 A 17 17 VAL H H 17 7.240 7.609 -0.369 1 1 196 . 17 1 1 A 17 17 VAL HA H 17 4.659 4.947 -0.288 1 1 204 . 17 1 1 A 17 17 VAL C C 17 175.135 174.031 1.104 1 1 205 . 17 1 1 A 17 17 VAL CA C 17 58.870 58.809 0.061 1 1 206 . 17 1 1 A 17 17 VAL CB C 17 36.070 35.502 0.568 1 1 209 . 17 1 1 A 17 17 VAL N N 17 113.230 118.079 -4.849 1 1 210 . 17 1 1 A 18 18 ASP H H 18 8.280 8.627 -0.347 1 1 211 . 17 1 1 A 18 18 ASP HA H 18 5.010 5.038 -0.028 1 1 214 . 17 1 1 A 18 18 ASP C C 18 177.350 175.432 1.918 1 1 215 . 17 1 1 A 18 18 ASP CA C 18 54.765 51.992 2.773 1 1 216 . 17 1 1 A 18 18 ASP CB C 18 42.120 44.042 -1.922 1 1 217 . 17 1 1 A 18 18 ASP N N 18 120.730 121.528 -0.798 1 1 218 . 17 1 1 A 19 19 GLY H H 19 8.951 8.194 0.757 1 1 219 . 17 1 1 A 19 19 GLY HA2 H 19 2.920 3.731 -0.811 1 1 220 . 17 1 1 A 19 19 GLY HA3 H 19 2.978 3.837 -0.859 1 1 221 . 17 1 1 A 19 19 GLY C C 19 172.450 173.580 -1.130 1 1 222 . 17 1 1 A 19 19 GLY CA C 19 45.370 45.555 -0.185 1 1 223 . 17 1 1 A 19 19 GLY N N 19 110.580 109.354 1.226 1 1 224 . 17 1 1 A 20 20 LYS H H 20 8.110 7.874 0.236 1 1 225 . 17 1 1 A 20 20 LYS HA H 20 4.374 4.499 -0.125 1 1 234 . 17 1 1 A 20 20 LYS C C 20 175.710 176.006 -0.296 1 1 235 . 17 1 1 A 20 20 LYS CA C 20 54.800 55.396 -0.596 1 1 236 . 17 1 1 A 20 20 LYS CB C 20 33.240 33.315 -0.075 1 1 240 . 17 1 1 A 20 20 LYS N N 20 124.290 122.315 1.975 1 1 241 . 17 1 1 A 21 21 GLU H H 21 8.710 8.470 0.240 1 1 242 . 17 1 1 A 21 21 GLU HA H 21 3.930 4.924 -0.994 1 1 247 . 17 1 1 A 21 21 GLU C C 21 175.960 175.861 0.099 1 1 248 . 17 1 1 A 21 21 GLU CA C 21 56.940 54.826 2.114 1 1 249 . 17 1 1 A 21 21 GLU CB C 21 30.439 30.917 -0.478 1 1 251 . 17 1 1 A 21 21 GLU N N 21 128.720 124.599 4.121 1 1 252 . 17 1 1 A 22 22 VAL H H 22 8.621 8.484 0.137 1 1 253 . 17 1 1 A 22 22 VAL HA H 22 4.160 4.561 -0.401 1 1 261 . 17 1 1 A 22 22 VAL C C 22 175.210 176.368 -1.158 1 1 262 . 17 1 1 A 22 22 VAL CA C 22 61.027 60.388 0.639 1 1 263 . 17 1 1 A 22 22 VAL CB C 22 34.501 31.684 2.817 1 1 266 . 17 1 1 A 22 22 VAL N N 22 125.340 116.224 9.116 1 1 267 . 17 1 1 A 23 23 HIS H H 23 8.607 8.023 0.584 1 1 268 . 17 1 1 A 23 23 HIS HA H 23 4.820 3.539 1.281 1 1 273 . 17 1 1 A 23 23 HIS C C 23 175.040 174.887 0.153 1 1 274 . 17 1 1 A 23 23 HIS CA C 23 55.498 59.156 -3.658 1 1 275 . 17 1 1 A 23 23 HIS CB C 23 30.660 29.829 0.831 1 1 278 . 17 1 1 A 23 23 HIS N N 23 124.000 122.489 1.511 1 1 279 . 17 1 1 A 24 24 SER H H 24 8.480 8.186 0.294 1 1 280 . 17 1 1 A 24 24 SER HA H 24 4.480 4.245 0.235 1 1 283 . 17 1 1 A 24 24 SER C C 24 173.860 174.315 -0.455 1 1 284 . 17 1 1 A 24 24 SER CA C 24 57.690 60.725 -3.035 1 1 285 . 17 1 1 A 24 24 SER CB C 24 64.580 63.200 1.380 1 1 286 . 17 1 1 A 24 24 SER N N 24 118.250 114.132 4.118 1 1 287 . 17 1 1 A 25 25 LYS H H 25 8.517 7.542 0.975 1 1 288 . 17 1 1 A 25 25 LYS HA H 25 4.561 4.568 -0.007 1 1 297 . 17 1 1 A 25 25 LYS C C 25 176.160 175.774 0.386 1 1 298 . 17 1 1 A 25 25 LYS CA C 25 56.255 55.343 0.912 1 1 299 . 17 1 1 A 25 25 LYS CB C 25 33.714 32.943 0.771 1 1 303 . 17 1 1 A 25 25 LYS N N 25 122.750 116.215 6.535 1 1 304 . 17 1 1 A 26 26 ALA H H 26 8.468 8.143 0.325 1 1 305 . 17 1 1 A 26 26 ALA HA H 26 4.470 3.814 0.656 1 1 309 . 17 1 1 A 26 26 ALA C C 26 177.950 176.128 1.822 1 1 310 . 17 1 1 A 26 26 ALA CA C 26 51.912 52.939 -1.027 1 1 311 . 17 1 1 A 26 26 ALA CB C 26 20.050 17.120 2.930 1 1 312 . 17 1 1 A 26 26 ALA N N 26 125.370 119.591 5.779 1 1 313 . 17 1 1 A 27 27 ASP H H 27 8.509 8.740 -0.231 1 1 314 . 17 1 1 A 27 27 ASP HA H 27 4.460 4.721 -0.261 1 1 317 . 17 1 1 A 27 27 ASP C C 27 176.480 176.464 0.016 1 1 318 . 17 1 1 A 27 27 ASP CA C 27 55.490 54.413 1.077 1 1 319 . 17 1 1 A 27 27 ASP CB C 27 40.771 40.875 -0.104 1 1 320 . 17 1 1 A 27 27 ASP N N 27 120.380 116.932 3.448 1 1 321 . 17 1 1 A 28 28 ASN H H 28 8.193 8.877 -0.684 1 1 322 . 17 1 1 A 28 28 ASN HA H 28 4.620 4.294 0.326 1 1 327 . 17 1 1 A 28 28 ASN C C 28 176.310 175.013 1.297 1 1 328 . 17 1 1 A 28 28 ASN CA C 28 53.050 55.129 -2.079 1 1 329 . 17 1 1 A 28 28 ASN CB C 28 38.080 36.100 1.980 1 1 330 . 17 1 1 A 28 28 ASN N N 28 117.470 118.681 -1.211 1 1 332 . 17 1 1 A 29 29 GLY H H 29 8.359 8.127 0.232 1 1 333 . 17 1 1 A 29 29 GLY HA2 H 29 4.110 4.032 0.078 1 1 334 . 17 1 1 A 29 29 GLY HA3 H 29 3.720 4.086 -0.366 1 1 335 . 17 1 1 A 29 29 GLY C C 29 174.365 172.675 1.690 1 1 336 . 17 1 1 A 29 29 GLY CA C 29 45.688 45.699 -0.011 1 1 337 . 17 1 1 A 29 29 GLY N N 29 108.230 105.070 3.160 1 1 338 . 17 1 1 A 30 30 GLN H H 30 7.920 8.148 -0.228 1 1 339 . 17 1 1 A 30 30 GLN HA H 30 4.200 4.308 -0.108 1 1 346 . 17 1 1 A 30 30 GLN C C 30 174.330 175.912 -1.582 1 1 347 . 17 1 1 A 30 30 GLN CA C 30 56.210 56.422 -0.212 1 1 348 . 17 1 1 A 30 30 GLN CB C 30 29.320 28.971 0.349 1 1 350 . 17 1 1 A 30 30 GLN N N 30 119.670 118.653 1.017 1 1 352 . 17 1 1 A 31 31 LYS H H 31 8.390 8.938 -0.548 1 1 353 . 17 1 1 A 31 31 LYS HA H 31 4.490 4.013 0.477 1 1 362 . 17 1 1 A 31 31 LYS C C 31 176.052 175.185 0.867 1 1 363 . 17 1 1 A 31 31 LYS CA C 31 56.417 57.999 -1.582 1 1 364 . 17 1 1 A 31 31 LYS CB C 31 33.414 30.411 3.003 1 1 368 . 17 1 1 A 31 31 LYS N N 31 121.950 116.518 5.432 1 1 369 . 17 1 1 A 32 32 TYR H H 32 8.160 8.007 0.153 1 1 370 . 17 1 1 A 32 32 TYR HA H 32 4.770 4.529 0.241 1 1 377 . 17 1 1 A 32 32 TYR C C 32 175.560 174.678 0.882 1 1 378 . 17 1 1 A 32 32 TYR CA C 32 56.300 57.537 -1.237 1 1 379 . 17 1 1 A 32 32 TYR CB C 32 40.074 39.602 0.472 1 1 384 . 17 1 1 A 32 32 TYR N N 32 119.960 119.820 0.140 1 1 385 . 17 1 1 A 33 33 LYS H H 33 8.397 8.804 -0.407 1 1 386 . 17 1 1 A 33 33 LYS HA H 33 4.610 4.722 -0.112 1 1 395 . 17 1 1 A 33 33 LYS C C 33 174.080 174.736 -0.656 1 1 396 . 17 1 1 A 33 33 LYS CA C 33 55.512 54.809 0.703 1 1 397 . 17 1 1 A 33 33 LYS CB C 33 34.570 34.210 0.360 1 1 401 . 17 1 1 A 33 33 LYS N N 33 122.080 119.634 2.446 1 1 402 . 17 1 1 A 34 34 ASP H H 34 8.140 8.999 -0.859 1 1 403 . 17 1 1 A 34 34 ASP HA H 34 5.040 5.038 0.002 1 1 406 . 17 1 1 A 34 34 ASP C C 34 173.740 174.881 -1.141 1 1 407 . 17 1 1 A 34 34 ASP CA C 34 53.104 52.562 0.542 1 1 408 . 17 1 1 A 34 34 ASP CB C 34 44.290 44.151 0.139 1 1 409 . 17 1 1 A 34 34 ASP N N 34 121.430 124.266 -2.836 1 1 410 . 17 1 1 A 35 35 TYR H H 35 8.849 8.878 -0.029 1 1 411 . 17 1 1 A 35 35 TYR HA H 35 4.660 5.127 -0.467 1 1 418 . 17 1 1 A 35 35 TYR C C 35 174.450 174.791 -0.341 1 1 419 . 17 1 1 A 35 35 TYR CA C 35 57.177 57.598 -0.421 1 1 420 . 17 1 1 A 35 35 TYR CB C 35 40.955 39.850 1.105 1 1 425 . 17 1 1 A 35 35 TYR N N 35 116.670 121.633 -4.963 1 1 426 . 17 1 1 A 36 36 GLU H H 36 9.144 9.008 0.136 1 1 427 . 17 1 1 A 36 36 GLU HA H 36 4.615 4.758 -0.143 1 1 432 . 17 1 1 A 36 36 GLU C C 36 175.850 174.547 1.303 1 1 433 . 17 1 1 A 36 36 GLU CA C 36 55.700 54.664 1.036 1 1 434 . 17 1 1 A 36 36 GLU CB C 36 32.541 32.083 0.458 1 1 436 . 17 1 1 A 36 36 GLU N N 36 122.490 122.637 -0.147 1 1 437 . 17 1 1 A 37 37 TYR H H 37 8.598 8.875 -0.277 1 1 438 . 17 1 1 A 37 37 TYR HA H 37 4.090 4.913 -0.823 1 1 445 . 17 1 1 A 37 37 TYR C C 37 174.140 173.999 0.141 1 1 446 . 17 1 1 A 37 37 TYR CA C 37 58.399 56.051 2.348 1 1 447 . 17 1 1 A 37 37 TYR CB C 37 41.690 38.818 2.872 1 1 452 . 17 1 1 A 37 37 TYR N N 37 122.480 126.782 -4.302 1 1 453 . 17 1 1 A 38 38 LYS H H 38 8.410 8.870 -0.460 1 1 454 . 17 1 1 A 38 38 LYS HA H 38 5.080 4.878 0.202 1 1 463 . 17 1 1 A 38 38 LYS C C 38 174.980 175.568 -0.588 1 1 464 . 17 1 1 A 38 38 LYS CA C 38 56.133 55.002 1.131 1 1 465 . 17 1 1 A 38 38 LYS CB C 38 33.525 34.587 -1.062 1 1 469 . 17 1 1 A 38 38 LYS N N 38 124.250 125.916 -1.666 1 1 470 . 17 1 1 A 39 39 LEU H H 39 8.555 8.771 -0.216 1 1 471 . 17 1 1 A 39 39 LEU HA H 39 4.865 4.883 -0.018 1 1 480 . 17 1 1 A 39 39 LEU C C 39 175.120 174.568 0.552 1 1 481 . 17 1 1 A 39 39 LEU CA C 39 53.316 53.748 -0.432 1 1 482 . 17 1 1 A 39 39 LEU CB C 39 47.338 45.177 2.161 1 1 485 . 17 1 1 A 39 39 LEU N N 39 124.840 122.519 2.321 1 1 486 . 17 1 1 A 40 40 THR H H 40 8.615 8.586 0.029 1 1 487 . 17 1 1 A 40 40 THR HA H 40 4.410 4.556 -0.146 1 1 492 . 17 1 1 A 40 40 THR C C 40 173.360 173.959 -0.599 1 1 493 . 17 1 1 A 40 40 THR CA C 40 63.200 60.577 2.623 1 1 494 . 17 1 1 A 40 40 THR CB C 40 69.100 69.489 -0.389 1 1 496 . 17 1 1 A 40 40 THR N N 40 118.390 116.375 2.015 1 1 497 . 17 1 1 A 41 41 GLY H H 41 8.545 8.719 -0.174 1 1 498 . 17 1 1 A 41 41 GLY HA2 H 41 3.030 3.186 -0.156 1 1 499 . 17 1 1 A 41 41 GLY HA3 H 41 4.910 3.687 1.223 1 1 500 . 17 1 1 A 41 41 GLY C C 41 171.375 172.490 -1.115 1 1 501 . 17 1 1 A 41 41 GLY CA C 41 43.963 45.056 -1.093 1 1 502 . 17 1 1 A 41 41 GLY N N 41 113.500 113.681 -0.181 1 1 503 . 17 1 1 A 42 42 PHE H H 42 8.650 8.853 -0.203 1 1 504 . 17 1 1 A 42 42 PHE HA H 42 5.910 5.066 0.844 1 1 512 . 17 1 1 A 42 42 PHE C C 42 176.670 175.590 1.080 1 1 513 . 17 1 1 A 42 42 PHE CA C 42 56.260 57.421 -1.161 1 1 514 . 17 1 1 A 42 42 PHE CB C 42 44.750 41.349 3.401 1 1 520 . 17 1 1 A 42 42 PHE N N 42 113.300 125.031 -11.731 1 1 521 . 17 1 1 A 43 43 ASP H H 43 9.040 9.059 -0.019 1 1 522 . 17 1 1 A 43 43 ASP HA H 43 5.100 5.123 -0.023 1 1 525 . 17 1 1 A 43 43 ASP C C 43 177.790 177.174 0.616 1 1 526 . 17 1 1 A 43 43 ASP CA C 43 51.990 53.452 -1.462 1 1 527 . 17 1 1 A 43 43 ASP CB C 43 41.660 42.428 -0.768 1 1 528 . 17 1 1 A 43 43 ASP N N 43 123.450 124.182 -0.732 1 1 529 . 17 1 1 A 44 44 LYS H H 44 8.689 8.838 -0.149 1 1 530 . 17 1 1 A 44 44 LYS HA H 44 3.920 4.055 -0.135 1 1 539 . 17 1 1 A 44 44 LYS C C 44 175.450 177.478 -2.028 1 1 540 . 17 1 1 A 44 44 LYS CA C 44 58.730 59.210 -0.480 1 1 541 . 17 1 1 A 44 44 LYS CB C 44 31.707 32.273 -0.566 1 1 545 . 17 1 1 A 44 44 LYS N N 44 113.360 124.372 -11.012 1 1 546 . 17 1 1 A 45 45 ASP H H 45 8.178 8.032 0.146 1 1 547 . 17 1 1 A 45 45 ASP HA H 45 4.930 4.733 0.197 1 1 550 . 17 1 1 A 45 45 ASP C C 45 176.710 176.585 0.125 1 1 551 . 17 1 1 A 45 45 ASP CA C 45 54.501 54.018 0.483 1 1 552 . 17 1 1 A 45 45 ASP CB C 45 42.260 41.464 0.796 1 1 553 . 17 1 1 A 45 45 ASP N N 45 119.050 117.054 1.996 1 1 554 . 17 1 1 A 46 46 GLY H H 46 8.853 8.451 0.402 1 1 555 . 17 1 1 A 46 46 GLY HA2 H 46 4.120 3.951 0.169 1 1 556 . 17 1 1 A 46 46 GLY HA3 H 46 3.350 3.973 -0.623 1 1 557 . 17 1 1 A 46 46 GLY C C 46 173.020 174.643 -1.623 1 1 558 . 17 1 1 A 46 46 GLY CA C 46 45.510 45.694 -0.184 1 1 559 . 17 1 1 A 46 46 GLY N N 46 110.250 108.391 1.859 1 1 560 . 17 1 1 A 47 47 LYS H H 47 8.640 7.742 0.898 1 1 561 . 17 1 1 A 47 47 LYS HA H 47 4.320 4.363 -0.043 1 1 570 . 17 1 1 A 47 47 LYS C C 47 176.180 176.534 -0.354 1 1 571 . 17 1 1 A 47 47 LYS CA C 47 57.200 56.134 1.066 1 1 572 . 17 1 1 A 47 47 LYS CB C 47 32.300 32.856 -0.556 1 1 576 . 17 1 1 A 47 47 LYS N N 47 123.450 120.007 3.443 1 1 577 . 17 1 1 A 48 48 GLU H H 48 8.510 8.629 -0.119 1 1 578 . 17 1 1 A 48 48 GLU HA H 48 4.914 4.779 0.135 1 1 583 . 17 1 1 A 48 48 GLU C C 48 176.545 175.070 1.475 1 1 584 . 17 1 1 A 48 48 GLU CA C 48 55.540 55.664 -0.124 1 1 585 . 17 1 1 A 48 48 GLU CB C 48 32.850 31.048 1.802 1 1 587 . 17 1 1 A 48 48 GLU N N 48 123.300 122.810 0.490 1 1 588 . 17 1 1 A 49 49 LYS H H 49 8.304 8.116 0.188 1 1 589 . 17 1 1 A 49 49 LYS HA H 49 4.080 4.545 -0.465 1 1 598 . 17 1 1 A 49 49 LYS C C 49 173.870 174.644 -0.774 1 1 599 . 17 1 1 A 49 49 LYS CA C 49 54.797 55.519 -0.722 1 1 600 . 17 1 1 A 49 49 LYS CB C 49 36.248 35.074 1.174 1 1 604 . 17 1 1 A 49 49 LYS N N 49 123.450 121.414 2.036 1 1 605 . 17 1 1 A 50 50 GLU H H 50 8.377 8.953 -0.576 1 1 606 . 17 1 1 A 50 50 GLU HA H 50 4.298 4.588 -0.290 1 1 611 . 17 1 1 A 50 50 GLU C C 50 175.090 176.076 -0.986 1 1 612 . 17 1 1 A 50 50 GLU CA C 50 56.950 56.706 0.244 1 1 613 . 17 1 1 A 50 50 GLU CB C 50 29.872 30.811 -0.939 1 1 615 . 17 1 1 A 50 50 GLU N N 50 127.100 128.403 -1.303 1 1 616 . 17 1 1 A 51 51 LEU H H 51 8.934 8.928 0.006 1 1 617 . 17 1 1 A 51 51 LEU HA H 51 4.517 5.103 -0.586 1 1 627 . 17 1 1 A 51 51 LEU C C 51 174.890 174.864 0.026 1 1 628 . 17 1 1 A 51 51 LEU CA C 51 53.817 53.394 0.423 1 1 629 . 17 1 1 A 51 51 LEU CB C 51 45.254 46.072 -0.818 1 1 633 . 17 1 1 A 51 51 LEU N N 51 127.790 121.825 5.965 1 1 634 . 17 1 1 A 52 52 GLU H H 52 8.360 9.071 -0.711 1 1 635 . 17 1 1 A 52 52 GLU HA H 52 5.417 5.296 0.121 1 1 640 . 17 1 1 A 52 52 GLU C C 52 174.890 174.839 0.051 1 1 641 . 17 1 1 A 52 52 GLU CA C 52 54.519 54.690 -0.171 1 1 642 . 17 1 1 A 52 52 GLU CB C 52 32.500 33.489 -0.989 1 1 644 . 17 1 1 A 52 52 GLU N N 52 121.180 117.863 3.317 1 1 645 . 17 1 1 A 53 53 PHE H H 53 8.465 8.410 0.055 1 1 646 . 17 1 1 A 53 53 PHE HA H 53 5.130 5.362 -0.232 1 1 654 . 17 1 1 A 53 53 PHE C C 53 172.660 173.108 -0.448 1 1 655 . 17 1 1 A 53 53 PHE CA C 53 56.508 56.053 0.455 1 1 656 . 17 1 1 A 53 53 PHE CB C 53 40.095 42.377 -2.282 1 1 662 . 17 1 1 A 53 53 PHE N N 53 118.940 117.214 1.726 1 1 663 . 17 1 1 A 54 54 THR H H 54 8.622 9.046 -0.424 1 1 664 . 17 1 1 A 54 54 THR HA H 54 5.530 5.600 -0.070 1 1 669 . 17 1 1 A 54 54 THR C C 54 173.470 174.479 -1.009 1 1 670 . 17 1 1 A 54 54 THR CA C 54 60.148 60.234 -0.086 1 1 671 . 17 1 1 A 54 54 THR CB C 54 71.820 70.826 0.994 1 1 673 . 17 1 1 A 54 54 THR N N 54 112.280 112.006 0.274 1 1 674 . 17 1 1 A 55 55 ALA H H 55 9.710 8.877 0.833 1 1 675 . 17 1 1 A 55 55 ALA HA H 55 5.354 5.268 0.086 1 1 679 . 17 1 1 A 55 55 ALA C C 55 176.720 177.109 -0.389 1 1 680 . 17 1 1 A 55 55 ALA CA C 55 50.568 50.369 0.199 1 1 681 . 17 1 1 A 55 55 ALA CB C 55 24.180 23.719 0.461 1 1 682 . 17 1 1 A 55 55 ALA N N 55 126.340 123.691 2.649 1 1 683 . 17 1 1 A 56 56 GLN H H 56 9.130 9.028 0.102 1 1 684 . 17 1 1 A 56 56 GLN HA H 56 5.030 4.529 0.501 1 1 691 . 17 1 1 A 56 56 GLN C C 56 174.960 175.705 -0.745 1 1 692 . 17 1 1 A 56 56 GLN CA C 56 56.820 57.181 -0.361 1 1 693 . 17 1 1 A 56 56 GLN CB C 56 29.180 29.688 -0.508 1 1 695 . 17 1 1 A 56 56 GLN N N 56 118.540 118.718 -0.178 1 1 697 . 17 1 1 A 57 57 LYS H H 57 7.656 7.820 -0.164 1 1 698 . 17 1 1 A 57 57 LYS HA H 57 4.360 5.131 -0.771 1 1 707 . 17 1 1 A 57 57 LYS C C 57 172.490 174.277 -1.787 1 1 708 . 17 1 1 A 57 57 LYS CA C 57 54.351 55.645 -1.294 1 1 709 . 17 1 1 A 57 57 LYS CB C 57 35.360 36.243 -0.883 1 1 713 . 17 1 1 A 57 57 LYS N N 57 116.270 120.273 -4.003 1 1 714 . 17 1 1 A 58 58 ASN H H 58 7.709 8.640 -0.931 1 1 715 . 17 1 1 A 58 58 ASN HA H 58 4.000 5.118 -1.118 1 1 720 . 17 1 1 A 58 58 ASN C C 58 175.490 175.510 -0.020 1 1 721 . 17 1 1 A 58 58 ASN CA C 58 53.498 52.459 1.039 1 1 722 . 17 1 1 A 58 58 ASN CB C 58 38.538 37.951 0.587 1 1 723 . 17 1 1 A 58 58 ASN N N 58 117.960 123.407 -5.447 1 1 725 . 17 1 1 A 59 59 LEU H H 59 7.940 8.369 -0.429 1 1 726 . 17 1 1 A 59 59 LEU HA H 59 3.950 4.619 -0.669 1 1 736 . 17 1 1 A 59 59 LEU C C 59 176.410 176.488 -0.078 1 1 737 . 17 1 1 A 59 59 LEU CA C 59 54.550 53.605 0.945 1 1 738 . 17 1 1 A 59 59 LEU CB C 59 42.370 43.164 -0.794 1 1 742 . 17 1 1 A 59 59 LEU N N 59 128.190 122.431 5.759 1 1 743 . 17 1 1 A 60 60 ARG H H 60 8.355 8.433 -0.078 1 1 744 . 17 1 1 A 60 60 ARG HA H 60 3.870 4.364 -0.494 1 1 752 . 17 1 1 A 60 60 ARG C C 60 175.350 176.620 -1.270 1 1 753 . 17 1 1 A 60 60 ARG CA C 60 56.695 55.825 0.870 1 1 754 . 17 1 1 A 60 60 ARG CB C 60 31.290 30.742 0.548 1 1 757 . 17 1 1 A 60 60 ARG N N 60 123.759 119.384 4.375 1 1 759 . 17 1 1 A 61 61 LYS H H 61 8.178 8.584 -0.406 1 1 760 . 17 1 1 A 61 61 LYS HA H 61 3.680 4.167 -0.487 1 1 769 . 17 1 1 A 61 61 LYS C C 61 177.290 176.383 0.907 1 1 770 . 17 1 1 A 61 61 LYS CA C 61 58.733 57.034 1.699 1 1 771 . 17 1 1 A 61 61 LYS CB C 61 31.564 32.855 -1.291 1 1 775 . 17 1 1 A 61 61 LYS N N 61 125.600 124.985 0.615 1 1 776 . 17 1 1 A 62 62 GLU H H 62 8.949 8.924 0.025 1 1 777 . 17 1 1 A 62 62 GLU HA H 62 3.340 4.102 -0.762 1 1 782 . 17 1 1 A 62 62 GLU C C 62 176.170 175.348 0.822 1 1 783 . 17 1 1 A 62 62 GLU CA C 62 59.156 57.779 1.377 1 1 784 . 17 1 1 A 62 62 GLU CB C 62 28.040 29.255 -1.215 1 1 786 . 17 1 1 A 62 62 GLU N N 62 112.860 120.144 -7.284 1 1 787 . 17 1 1 A 63 63 ALA H H 63 7.604 7.408 0.196 1 1 788 . 17 1 1 A 63 63 ALA HA H 63 4.020 4.333 -0.313 1 1 792 . 17 1 1 A 63 63 ALA C C 63 175.530 176.561 -1.031 1 1 793 . 17 1 1 A 63 63 ALA CA C 63 53.074 52.303 0.771 1 1 794 . 17 1 1 A 63 63 ALA CB C 63 19.323 20.127 -0.804 1 1 795 . 17 1 1 A 63 63 ALA N N 63 122.700 124.765 -2.065 1 1 796 . 17 1 1 A 64 64 PHE H H 64 8.876 8.886 -0.010 1 1 797 . 17 1 1 A 64 64 PHE HA H 64 5.470 5.345 0.125 1 1 802 . 17 1 1 A 64 64 PHE C C 64 175.480 175.098 0.382 1 1 803 . 17 1 1 A 64 64 PHE CA C 64 56.780 56.660 0.120 1 1 804 . 17 1 1 A 64 64 PHE CB C 64 41.566 41.759 -0.193 1 1 807 . 17 1 1 A 64 64 PHE N N 64 118.670 118.504 0.166 1 1 808 . 17 1 1 A 65 65 LEU H H 65 8.870 9.646 -0.776 1 1 809 . 17 1 1 A 65 65 LEU HA H 65 5.390 5.319 0.071 1 1 819 . 17 1 1 A 65 65 LEU C C 65 176.030 175.553 0.477 1 1 820 . 17 1 1 A 65 65 LEU CA C 65 52.926 53.243 -0.317 1 1 821 . 17 1 1 A 65 65 LEU CB C 65 45.561 43.678 1.883 1 1 825 . 17 1 1 A 65 65 LEU N N 65 118.700 122.209 -3.509 1 1 826 . 17 1 1 A 66 66 ARG H H 66 9.031 9.248 -0.217 1 1 827 . 17 1 1 A 66 66 ARG HA H 66 4.345 4.550 -0.205 1 1 835 . 17 1 1 A 66 66 ARG C C 66 174.220 174.525 -0.305 1 1 836 . 17 1 1 A 66 66 ARG CA C 66 54.957 55.653 -0.696 1 1 837 . 17 1 1 A 66 66 ARG CB C 66 32.885 29.581 3.304 1 1 840 . 17 1 1 A 66 66 ARG N N 66 121.590 126.031 -4.441 1 1 842 . 17 1 1 A 67 67 VAL H H 67 9.359 8.519 0.840 1 1 843 . 17 1 1 A 67 67 VAL HA H 67 4.400 4.549 -0.149 1 1 851 . 17 1 1 A 67 67 VAL C C 67 174.070 175.034 -0.964 1 1 852 . 17 1 1 A 67 67 VAL CA C 67 60.910 61.546 -0.636 1 1 853 . 17 1 1 A 67 67 VAL CB C 67 33.960 32.346 1.614 1 1 856 . 17 1 1 A 67 67 VAL N N 67 126.230 125.520 0.710 1 1 857 . 17 1 1 A 68 68 TYR H H 68 8.710 8.991 -0.281 1 1 858 . 17 1 1 A 68 68 TYR HA H 68 5.070 5.003 0.067 1 1 865 . 17 1 1 A 68 68 TYR C C 68 175.390 174.458 0.932 1 1 866 . 17 1 1 A 68 68 TYR CA C 68 57.290 58.353 -1.063 1 1 867 . 17 1 1 A 68 68 TYR CB C 68 38.690 39.674 -0.984 1 1 872 . 17 1 1 A 68 68 TYR N N 68 125.200 128.516 -3.316 1 1 873 . 17 1 1 A 69 69 HIS H H 69 9.224 8.567 0.657 1 1 874 . 17 1 1 A 69 69 HIS HA H 69 5.200 5.013 0.187 1 1 879 . 17 1 1 A 69 69 HIS C C 69 173.600 173.456 0.144 1 1 880 . 17 1 1 A 69 69 HIS CA C 69 56.502 54.538 1.964 1 1 881 . 17 1 1 A 69 69 HIS CB C 69 35.873 32.828 3.045 1 1 884 . 17 1 1 A 69 69 HIS N N 69 124.780 128.374 -3.594 1 1 885 . 17 1 1 A 70 70 SER H H 70 7.425 8.555 -1.130 1 1 886 . 17 1 1 A 70 70 SER HA H 70 4.800 4.509 0.291 1 1 889 . 17 1 1 A 70 70 SER C C 70 173.790 173.359 0.431 1 1 890 . 17 1 1 A 70 70 SER CA C 70 56.840 57.278 -0.438 1 1 891 . 17 1 1 A 70 70 SER CB C 70 66.500 66.091 0.409 1 1 892 . 17 1 1 A 70 70 SER N N 70 118.910 123.567 -4.657 1 1 893 . 17 1 1 A 71 71 ASP H H 71 9.020 8.671 0.349 1 1 894 . 17 1 1 A 71 71 ASP HA H 71 4.390 4.416 -0.026 1 1 897 . 17 1 1 A 71 71 ASP C C 71 178.030 178.182 -0.152 1 1 898 . 17 1 1 A 71 71 ASP CA C 71 57.220 56.530 0.690 1 1 899 . 17 1 1 A 71 71 ASP CB C 71 40.622 41.006 -0.384 1 1 900 . 17 1 1 A 71 71 ASP N N 71 123.340 126.253 -2.913 1 1 901 . 17 1 1 A 72 72 LYS H H 72 8.220 7.895 0.325 1 1 902 . 17 1 1 A 72 72 LYS HA H 72 4.123 4.139 -0.016 1 1 911 . 17 1 1 A 72 72 LYS C C 72 177.560 177.809 -0.249 1 1 912 . 17 1 1 A 72 72 LYS CA C 72 58.383 59.179 -0.796 1 1 913 . 17 1 1 A 72 72 LYS CB C 72 32.778 32.780 -0.002 1 1 917 . 17 1 1 A 72 72 LYS N N 72 116.640 120.945 -4.305 1 1 918 . 17 1 1 A 73 73 LYS H H 73 7.367 7.728 -0.361 1 1 919 . 17 1 1 A 73 73 LYS HA H 73 4.449 4.504 -0.055 1 1 928 . 17 1 1 A 73 73 LYS C C 73 176.750 176.666 0.084 1 1 929 . 17 1 1 A 73 73 LYS CA C 73 55.614 55.708 -0.094 1 1 930 . 17 1 1 A 73 73 LYS CB C 73 33.910 32.708 1.202 1 1 934 . 17 1 1 A 73 73 LYS N N 73 115.780 116.876 -1.096 1 1 935 . 17 1 1 A 74 74 GLY H H 74 8.240 8.407 -0.167 1 1 936 . 17 1 1 A 74 74 GLY HA2 H 74 3.630 3.873 -0.243 1 1 937 . 17 1 1 A 74 74 GLY HA3 H 74 4.240 3.903 0.337 1 1 938 . 17 1 1 A 74 74 GLY C C 74 174.817 173.929 0.888 1 1 939 . 17 1 1 A 74 74 GLY CA C 74 45.075 47.347 -2.272 1 1 940 . 17 1 1 A 74 74 GLY N N 74 110.370 107.532 2.838 1 1 941 . 17 1 1 A 75 75 VAL H H 75 9.140 7.984 1.156 1 1 942 . 17 1 1 A 75 75 VAL HA H 75 4.640 4.473 0.167 1 1 950 . 17 1 1 A 75 75 VAL C C 75 177.000 175.234 1.766 1 1 951 . 17 1 1 A 75 75 VAL CA C 75 63.550 61.545 2.005 1 1 952 . 17 1 1 A 75 75 VAL CB C 75 32.237 33.437 -1.200 1 1 955 . 17 1 1 A 75 75 VAL N N 75 124.300 123.525 0.775 1 1 956 . 17 1 1 A 76 76 SER H H 76 9.020 9.185 -0.165 1 1 957 . 17 1 1 A 76 76 SER HA H 76 4.640 4.577 0.063 1 1 960 . 17 1 1 A 76 76 SER C C 76 174.250 174.296 -0.046 1 1 961 . 17 1 1 A 76 76 SER CA C 76 58.440 59.870 -1.430 1 1 962 . 17 1 1 A 76 76 SER CB C 76 64.550 64.530 0.020 1 1 963 . 17 1 1 A 76 76 SER N N 76 122.490 121.249 1.241 1 1 964 . 17 1 1 A 77 77 ALA H H 77 7.890 7.534 0.356 1 1 965 . 17 1 1 A 77 77 ALA HA H 77 4.420 4.514 -0.094 1 1 969 . 17 1 1 A 77 77 ALA C C 77 174.430 175.186 -0.756 1 1 970 . 17 1 1 A 77 77 ALA CA C 77 51.940 51.650 0.290 1 1 971 . 17 1 1 A 77 77 ALA CB C 77 22.234 22.266 -0.032 1 1 972 . 17 1 1 A 77 77 ALA N N 77 122.930 118.132 4.798 1 1 973 . 17 1 1 A 78 78 TRP H H 78 7.776 8.412 -0.636 1 1 974 . 17 1 1 A 78 78 TRP HA H 78 5.690 5.663 0.027 1 1 982 . 17 1 1 A 78 78 TRP C C 78 174.450 173.181 1.269 1 1 983 . 17 1 1 A 78 78 TRP CA C 78 55.899 55.281 0.618 1 1 984 . 17 1 1 A 78 78 TRP CB C 78 32.602 32.658 -0.056 1 1 989 . 17 1 1 A 78 78 TRP N N 78 114.705 116.872 -2.167 1 1 991 . 17 1 1 A 79 79 GLU H H 79 9.210 8.809 0.401 1 1 992 . 17 1 1 A 79 79 GLU HA H 79 4.730 4.996 -0.266 1 1 997 . 17 1 1 A 79 79 GLU C C 79 174.130 175.057 -0.927 1 1 998 . 17 1 1 A 79 79 GLU CA C 79 54.939 54.611 0.328 1 1 999 . 17 1 1 A 79 79 GLU CB C 79 31.656 33.065 -1.409 1 1 1001 . 17 1 1 A 79 79 GLU N N 79 114.860 120.436 -5.576 1 1 1002 . 17 1 1 A 80 80 GLU H H 80 9.120 8.891 0.229 1 1 1003 . 17 1 1 A 80 80 GLU HA H 80 5.030 4.798 0.232 1 1 1008 . 17 1 1 A 80 80 GLU C C 80 176.580 176.525 0.055 1 1 1009 . 17 1 1 A 80 80 GLU CA C 80 57.193 56.343 0.850 1 1 1010 . 17 1 1 A 80 80 GLU CB C 80 29.856 30.746 -0.890 1 1 1012 . 17 1 1 A 80 80 GLU N N 80 123.960 123.585 0.375 1 1 1013 . 17 1 1 A 81 81 VAL H H 81 8.694 9.156 -0.462 1 1 1014 . 17 1 1 A 81 81 VAL HA H 81 4.780 4.909 -0.129 1 1 1022 . 17 1 1 A 81 81 VAL C C 81 174.460 174.765 -0.305 1 1 1023 . 17 1 1 A 81 81 VAL CA C 81 58.927 59.721 -0.794 1 1 1024 . 17 1 1 A 81 81 VAL CB C 81 35.550 35.252 0.298 1 1 1027 . 17 1 1 A 81 81 VAL N N 81 118.990 121.137 -2.147 1 1 1028 . 17 1 1 A 82 82 LYS H H 82 8.708 8.939 -0.231 1 1 1029 . 17 1 1 A 82 82 LYS HA H 82 4.580 4.602 -0.022 1 1 1038 . 17 1 1 A 82 82 LYS C C 82 178.380 178.241 0.139 1 1 1039 . 17 1 1 A 82 82 LYS CA C 82 55.212 55.617 -0.405 1 1 1040 . 17 1 1 A 82 82 LYS CB C 82 33.689 33.463 0.226 1 1 1044 . 17 1 1 A 82 82 LYS N N 82 120.850 124.977 -4.127 1 1 1045 . 17 1 1 A 83 83 LYS H H 83 8.870 9.169 -0.299 1 1 1046 . 17 1 1 A 83 83 LYS HA H 83 3.180 3.922 -0.742 1 1 1055 . 17 1 1 A 83 83 LYS C C 83 177.690 177.802 -0.112 1 1 1056 . 17 1 1 A 83 83 LYS CA C 83 59.370 60.727 -1.357 1 1 1057 . 17 1 1 A 83 83 LYS CB C 83 32.209 32.226 -0.017 1 1 1061 . 17 1 1 A 83 83 LYS N N 83 121.435 124.229 -2.794 1 1 1062 . 17 1 1 A 84 84 ASP H H 84 8.059 8.209 -0.150 1 1 1063 . 17 1 1 A 84 84 ASP HA H 84 4.220 4.513 -0.293 1 1 1066 . 17 1 1 A 84 84 ASP C C 84 177.100 178.012 -0.912 1 1 1067 . 17 1 1 A 84 84 ASP CA C 84 55.680 56.549 -0.869 1 1 1068 . 17 1 1 A 84 84 ASP CB C 84 40.392 40.563 -0.171 1 1 1069 . 17 1 1 A 84 84 ASP N N 84 112.520 120.138 -7.618 1 1 1070 . 17 1 1 A 85 85 GLU H H 85 7.686 7.851 -0.165 1 1 1071 . 17 1 1 A 85 85 GLU HA H 85 4.136 4.313 -0.177 1 1 1076 . 17 1 1 A 85 85 GLU C C 85 176.270 177.196 -0.926 1 1 1077 . 17 1 1 A 85 85 GLU CA C 85 56.133 58.011 -1.878 1 1 1078 . 17 1 1 A 85 85 GLU CB C 85 30.479 30.186 0.293 1 1 1080 . 17 1 1 A 85 85 GLU N N 85 116.930 117.334 -0.404 1 1 1081 . 17 1 1 A 86 86 LEU H H 86 7.017 7.138 -0.121 1 1 1082 . 17 1 1 A 86 86 LEU HA H 86 3.710 4.317 -0.607 1 1 1092 . 17 1 1 A 86 86 LEU CA C 86 52.600 52.090 0.510 1 1 1093 . 17 1 1 A 86 86 LEU CB C 86 42.120 41.641 0.479 1 1 1097 . 17 1 1 A 86 86 LEU N N 86 119.530 120.653 -1.123 1 1 1098 . 17 1 1 A 87 87 PRO HA H 87 4.330 4.508 -0.178 1 1 1105 . 17 1 1 A 87 87 PRO C C 87 176.940 177.377 -0.437 1 1 1106 . 17 1 1 A 87 87 PRO CA C 87 62.400 62.678 -0.278 1 1 1107 . 17 1 1 A 87 87 PRO CB C 87 32.537 32.639 -0.102 1 1 1110 . 17 1 1 A 88 88 ALA H H 88 8.943 8.638 0.305 1 1 1111 . 17 1 1 A 88 88 ALA HA H 88 3.780 3.993 -0.213 1 1 1115 . 17 1 1 A 88 88 ALA C C 88 180.520 179.512 1.008 1 1 1116 . 17 1 1 A 88 88 ALA CA C 88 56.911 54.868 2.043 1 1 1117 . 17 1 1 A 88 88 ALA CB C 88 18.502 18.177 0.325 1 1 1118 . 17 1 1 A 88 88 ALA N N 88 128.160 126.928 1.232 1 1 1119 . 17 1 1 A 89 89 LYS H H 89 9.270 8.129 1.141 1 1 1120 . 17 1 1 A 89 89 LYS HA H 89 3.990 4.055 -0.065 1 1 1129 . 17 1 1 A 89 89 LYS C C 89 179.070 178.110 0.960 1 1 1130 . 17 1 1 A 89 89 LYS CA C 89 58.648 58.256 0.392 1 1 1131 . 17 1 1 A 89 89 LYS CB C 89 31.962 32.242 -0.280 1 1 1135 . 17 1 1 A 89 89 LYS N N 89 115.610 117.941 -2.331 1 1 1136 . 17 1 1 A 90 90 VAL H H 90 6.846 7.549 -0.703 1 1 1137 . 17 1 1 A 90 90 VAL HA H 90 3.230 3.795 -0.565 1 1 1145 . 17 1 1 A 90 90 VAL C C 90 177.100 177.883 -0.783 1 1 1146 . 17 1 1 A 90 90 VAL CA C 90 65.870 65.336 0.534 1 1 1147 . 17 1 1 A 90 90 VAL CB C 90 30.880 31.962 -1.082 1 1 1150 . 17 1 1 A 90 90 VAL N N 90 117.560 118.376 -0.816 1 1 1151 . 17 1 1 A 91 91 LYS H H 91 7.850 8.050 -0.200 1 1 1152 . 17 1 1 A 91 91 LYS HA H 91 3.430 3.978 -0.548 1 1 1161 . 17 1 1 A 91 91 LYS C C 91 178.420 179.773 -1.353 1 1 1162 . 17 1 1 A 91 91 LYS CA C 91 61.028 59.415 1.613 1 1 1163 . 17 1 1 A 91 91 LYS CB C 91 32.387 32.014 0.373 1 1 1167 . 17 1 1 A 91 91 LYS N N 91 118.750 120.230 -1.480 1 1 1168 . 17 1 1 A 92 92 GLU H H 92 7.282 8.034 -0.752 1 1 1169 . 17 1 1 A 92 92 GLU HA H 92 3.990 4.116 -0.126 1 1 1174 . 17 1 1 A 92 92 GLU C C 92 179.380 178.959 0.421 1 1 1175 . 17 1 1 A 92 92 GLU CA C 92 59.030 58.992 0.038 1 1 1176 . 17 1 1 A 92 92 GLU CB C 92 29.841 29.480 0.361 1 1 1178 . 17 1 1 A 92 92 GLU N N 92 115.375 118.784 -3.409 1 1 1179 . 17 1 1 A 93 93 LYS H H 93 7.343 7.649 -0.306 1 1 1180 . 17 1 1 A 93 93 LYS HA H 93 3.800 4.116 -0.316 1 1 1189 . 17 1 1 A 93 93 LYS C C 93 178.310 177.057 1.253 1 1 1190 . 17 1 1 A 93 93 LYS CA C 93 56.970 58.620 -1.650 1 1 1191 . 17 1 1 A 93 93 LYS CB C 93 30.740 32.810 -2.070 1 1 1195 . 17 1 1 A 93 93 LYS N N 93 118.370 119.006 -0.636 1 1 1196 . 17 1 1 A 94 94 LEU H H 94 8.000 8.326 -0.326 1 1 1197 . 17 1 1 A 94 94 LEU HA H 94 4.360 4.096 0.264 1 1 1207 . 17 1 1 A 94 94 LEU C C 94 177.350 176.269 1.081 1 1 1208 . 17 1 1 A 94 94 LEU CA C 94 54.765 56.230 -1.465 1 1 1209 . 17 1 1 A 94 94 LEU CB C 94 42.796 41.798 0.998 1 1 1213 . 17 1 1 A 94 94 LEU N N 94 115.600 119.912 -4.312 1 1 1214 . 17 1 1 A 95 95 GLY H H 95 7.601 8.677 -1.076 1 1 1215 . 17 1 1 A 95 95 GLY HA2 H 95 3.830 4.005 -0.175 1 1 1216 . 17 1 1 A 95 95 GLY HA3 H 95 3.950 4.056 -0.106 1 1 1217 . 17 1 1 A 95 95 GLY C C 95 174.790 174.853 -0.063 1 1 1218 . 17 1 1 A 95 95 GLY CA C 95 46.550 45.482 1.068 1 1 1219 . 17 1 1 A 95 95 GLY N N 95 108.540 107.341 1.199 1 1 1220 . 17 1 1 A 96 96 VAL H H 96 7.957 7.854 0.103 1 1 1221 . 17 1 1 A 96 96 VAL HA H 96 3.940 4.106 -0.166 1 1 1229 . 17 1 1 A 96 96 VAL C C 96 175.540 175.339 0.201 1 1 1230 . 17 1 1 A 96 96 VAL CA C 96 62.314 61.884 0.430 1 1 1231 . 17 1 1 A 96 96 VAL CB C 96 32.155 32.909 -0.754 1 1 1234 . 17 1 1 A 96 96 VAL N N 96 119.490 118.158 1.332 1 1 1235 . 17 1 1 A 97 97 LYS H H 97 8.293 8.721 -0.428 1 1 1236 . 17 1 1 A 97 97 LYS HA H 97 4.210 4.610 -0.400 1 1 1245 . 17 1 1 A 97 97 LYS C C 97 176.290 175.334 0.956 1 1 1246 . 17 1 1 A 97 97 LYS CA C 97 56.174 55.221 0.953 1 1 1247 . 17 1 1 A 97 97 LYS CB C 97 33.200 33.580 -0.380 1 1 1251 . 17 1 1 A 97 97 LYS N N 97 126.120 123.512 2.608 1 1 1252 . 17 1 1 A 98 98 LEU H H 98 8.315 7.598 0.717 1 1 1253 . 17 1 1 A 98 98 LEU HA H 98 4.240 4.799 -0.559 1 1 1263 . 17 1 1 A 98 98 LEU C C 98 176.930 176.350 0.580 1 1 1264 . 17 1 1 A 98 98 LEU CA C 98 54.800 53.361 1.439 1 1 1265 . 17 1 1 A 98 98 LEU CB C 98 42.217 45.893 -3.676 1 1 1269 . 17 1 1 A 98 98 LEU N N 98 124.170 117.202 6.968 1 1 1270 . 17 1 1 A 99 99 GLU H H 99 8.375 8.897 -0.522 1 1 1271 . 17 1 1 A 99 99 GLU HA H 99 4.175 4.508 -0.333 1 1 1276 . 17 1 1 A 99 99 GLU C C 99 176.035 177.130 -1.095 1 1 1277 . 17 1 1 A 99 99 GLU CA C 99 56.352 58.328 -1.976 1 1 1278 . 17 1 1 A 99 99 GLU CB C 99 30.460 29.936 0.524 1 1 1280 . 17 1 1 A 99 99 GLU N N 99 122.010 119.714 2.296 1 1 1281 . 17 1 1 A 100 100 HIS H H 100 8.350 7.950 0.400 1 1 1282 . 17 1 1 A 100 100 HIS HA H 100 4.565 4.853 -0.288 1 1 1285 . 17 1 1 A 100 100 HIS C C 100 173.880 173.400 0.480 1 1 1286 . 17 1 1 A 100 100 HIS CA C 100 56.050 54.696 1.354 1 1 1287 . 17 1 1 A 100 100 HIS CB C 100 30.144 30.518 -0.374 1 1 1288 . 17 1 1 A 100 100 HIS N N 100 120.245 116.832 3.413 1 1 1289 . 17 1 1 A 101 101 HIS H H 101 8.134 8.455 -0.321 1 1 1290 . 17 1 1 A 101 101 HIS HA H 101 4.410 4.569 -0.159 1 1 1293 . 17 1 1 A 101 101 HIS CA C 101 57.290 54.517 2.773 1 1 1294 . 17 1 1 A 101 101 HIS CB C 101 31.450 28.347 3.103 1 1 1 . 18 1 1 A 2 2 ASP HA H 2 4.670 4.949 -0.279 1 1 4 . 18 1 1 A 2 2 ASP C C 2 176.480 176.602 -0.122 1 1 5 . 18 1 1 A 2 2 ASP CA C 2 53.400 52.818 0.582 1 1 6 . 18 1 1 A 2 2 ASP CB C 2 41.170 40.817 0.353 1 1 7 . 18 1 1 A 3 3 LEU H H 3 8.650 8.452 0.198 1 1 8 . 18 1 1 A 3 3 LEU HA H 3 4.116 4.216 -0.100 1 1 18 . 18 1 1 A 3 3 LEU C C 3 177.880 178.666 -0.786 1 1 19 . 18 1 1 A 3 3 LEU CA C 3 56.390 56.967 -0.577 1 1 20 . 18 1 1 A 3 3 LEU CB C 3 41.660 42.005 -0.345 1 1 24 . 18 1 1 A 3 3 LEU N N 3 125.300 123.377 1.923 1 1 25 . 18 1 1 A 4 4 ASN H H 4 8.370 8.067 0.303 1 1 26 . 18 1 1 A 4 4 ASN HA H 4 4.490 4.522 -0.032 1 1 31 . 18 1 1 A 4 4 ASN C C 4 175.050 176.079 -1.029 1 1 32 . 18 1 1 A 4 4 ASN CA C 4 54.320 56.638 -2.318 1 1 33 . 18 1 1 A 4 4 ASN CB C 4 38.240 38.010 0.230 1 1 34 . 18 1 1 A 4 4 ASN N N 4 116.550 118.681 -2.131 1 1 36 . 18 1 1 A 5 5 ARG H H 5 7.645 7.996 -0.351 1 1 37 . 18 1 1 A 5 5 ARG HA H 5 3.920 4.428 -0.508 1 1 45 . 18 1 1 A 5 5 ARG C C 5 176.030 174.752 1.278 1 1 46 . 18 1 1 A 5 5 ARG CA C 5 56.180 54.142 2.038 1 1 47 . 18 1 1 A 5 5 ARG CB C 5 31.570 29.583 1.987 1 1 50 . 18 1 1 A 5 5 ARG N N 5 118.590 118.295 0.295 1 1 52 . 18 1 1 A 6 6 MET H H 6 7.809 8.632 -0.823 1 1 53 . 18 1 1 A 6 6 MET HA H 6 4.355 4.641 -0.286 1 1 58 . 18 1 1 A 6 6 MET C C 6 176.940 176.912 0.028 1 1 59 . 18 1 1 A 6 6 MET CA C 6 56.290 55.854 0.436 1 1 60 . 18 1 1 A 6 6 MET CB C 6 33.020 33.800 -0.780 1 1 62 . 18 1 1 A 6 6 MET N N 6 120.180 124.568 -4.388 1 1 63 . 18 1 1 A 7 7 GLY H H 7 8.906 8.820 0.086 1 1 64 . 18 1 1 A 7 7 GLY HA2 H 7 3.870 3.959 -0.089 1 1 65 . 18 1 1 A 7 7 GLY HA3 H 7 3.950 3.960 -0.010 1 1 66 . 18 1 1 A 7 7 GLY C C 7 174.280 174.802 -0.522 1 1 67 . 18 1 1 A 7 7 GLY CA C 7 46.110 46.638 -0.528 1 1 68 . 18 1 1 A 7 7 GLY N N 7 112.660 110.147 2.513 1 1 69 . 18 1 1 A 8 8 LYS H H 8 7.819 7.968 -0.149 1 1 70 . 18 1 1 A 8 8 LYS HA H 8 4.550 4.360 0.190 1 1 79 . 18 1 1 A 8 8 LYS C C 8 176.060 175.362 0.698 1 1 80 . 18 1 1 A 8 8 LYS CA C 8 54.444 55.414 -0.970 1 1 81 . 18 1 1 A 8 8 LYS CB C 8 33.760 31.404 2.356 1 1 85 . 18 1 1 A 8 8 LYS N N 8 119.130 118.572 0.558 1 1 86 . 18 1 1 A 9 9 ASP H H 9 8.790 7.415 1.375 1 1 87 . 18 1 1 A 9 9 ASP HA H 9 4.730 4.496 0.234 1 1 90 . 18 1 1 A 9 9 ASP C C 9 174.530 175.729 -1.199 1 1 91 . 18 1 1 A 9 9 ASP CA C 9 54.560 53.888 0.672 1 1 92 . 18 1 1 A 9 9 ASP CB C 9 42.530 41.668 0.862 1 1 93 . 18 1 1 A 9 9 ASP N N 9 121.550 120.777 0.773 1 1 94 . 18 1 1 A 10 10 GLU H H 10 7.950 8.424 -0.474 1 1 95 . 18 1 1 A 10 10 GLU HA H 10 4.570 5.076 -0.506 1 1 100 . 18 1 1 A 10 10 GLU C C 10 174.080 175.547 -1.467 1 1 101 . 18 1 1 A 10 10 GLU CA C 10 54.640 55.897 -1.257 1 1 102 . 18 1 1 A 10 10 GLU CB C 10 31.380 30.438 0.942 1 1 104 . 18 1 1 A 10 10 GLU N N 10 119.640 120.100 -0.460 1 1 105 . 18 1 1 A 11 11 TYR H H 11 8.767 9.140 -0.373 1 1 106 . 18 1 1 A 11 11 TYR HA H 11 4.555 4.873 -0.318 1 1 113 . 18 1 1 A 11 11 TYR C C 11 173.480 174.686 -1.206 1 1 114 . 18 1 1 A 11 11 TYR CA C 11 56.360 56.468 -0.108 1 1 115 . 18 1 1 A 11 11 TYR CB C 11 43.860 41.824 2.036 1 1 120 . 18 1 1 A 11 11 TYR N N 11 120.960 121.088 -0.128 1 1 121 . 18 1 1 A 12 12 TYR H H 12 9.290 9.050 0.240 1 1 122 . 18 1 1 A 12 12 TYR HA H 12 5.730 5.242 0.488 1 1 129 . 18 1 1 A 12 12 TYR C C 12 175.700 176.258 -0.558 1 1 130 . 18 1 1 A 12 12 TYR CA C 12 56.680 57.538 -0.858 1 1 131 . 18 1 1 A 12 12 TYR CB C 12 42.180 38.735 3.445 1 1 136 . 18 1 1 A 12 12 TYR N N 12 118.880 121.489 -2.609 1 1 137 . 18 1 1 A 13 13 VAL H H 13 8.670 8.910 -0.240 1 1 138 . 18 1 1 A 13 13 VAL HA H 13 5.050 5.240 -0.190 1 1 146 . 18 1 1 A 13 13 VAL C C 13 174.820 174.943 -0.123 1 1 147 . 18 1 1 A 13 13 VAL CA C 13 58.130 60.349 -2.219 1 1 148 . 18 1 1 A 13 13 VAL CB C 13 35.890 33.752 2.138 1 1 151 . 18 1 1 A 13 13 VAL N N 13 112.280 118.967 -6.687 1 1 152 . 18 1 1 A 14 14 GLN H H 14 8.760 8.644 0.116 1 1 153 . 18 1 1 A 14 14 GLN HA H 14 5.090 4.822 0.268 1 1 160 . 18 1 1 A 14 14 GLN C C 14 175.000 175.454 -0.454 1 1 161 . 18 1 1 A 14 14 GLN CA C 14 53.520 54.097 -0.577 1 1 162 . 18 1 1 A 14 14 GLN CB C 14 31.250 32.062 -0.812 1 1 164 . 18 1 1 A 14 14 GLN N N 14 120.910 121.439 -0.529 1 1 166 . 18 1 1 A 15 15 ILE H H 15 8.843 8.812 0.031 1 1 167 . 18 1 1 A 15 15 ILE HA H 15 3.900 4.159 -0.259 1 1 177 . 18 1 1 A 15 15 ILE C C 15 177.090 177.112 -0.022 1 1 178 . 18 1 1 A 15 15 ILE CA C 15 59.269 61.709 -2.440 1 1 179 . 18 1 1 A 15 15 ILE CB C 15 34.050 36.909 -2.859 1 1 183 . 18 1 1 A 15 15 ILE N N 15 125.520 123.454 2.066 1 1 184 . 18 1 1 A 16 16 THR H H 16 7.996 8.237 -0.241 1 1 185 . 18 1 1 A 16 16 THR HA H 16 4.540 4.341 0.199 1 1 190 . 18 1 1 A 16 16 THR C C 16 173.650 174.843 -1.193 1 1 191 . 18 1 1 A 16 16 THR CA C 16 61.180 63.745 -2.565 1 1 192 . 18 1 1 A 16 16 THR CB C 16 69.300 69.194 0.106 1 1 194 . 18 1 1 A 16 16 THR N N 16 118.080 119.263 -1.183 1 1 195 . 18 1 1 A 17 17 VAL H H 17 7.240 7.523 -0.283 1 1 196 . 18 1 1 A 17 17 VAL HA H 17 4.659 4.761 -0.102 1 1 204 . 18 1 1 A 17 17 VAL C C 17 175.135 174.313 0.822 1 1 205 . 18 1 1 A 17 17 VAL CA C 17 58.870 59.638 -0.768 1 1 206 . 18 1 1 A 17 17 VAL CB C 17 36.070 35.244 0.826 1 1 209 . 18 1 1 A 17 17 VAL N N 17 113.230 117.374 -4.144 1 1 210 . 18 1 1 A 18 18 ASP H H 18 8.280 8.595 -0.315 1 1 211 . 18 1 1 A 18 18 ASP HA H 18 5.010 5.173 -0.163 1 1 214 . 18 1 1 A 18 18 ASP C C 18 177.350 175.638 1.712 1 1 215 . 18 1 1 A 18 18 ASP CA C 18 54.765 52.037 2.728 1 1 216 . 18 1 1 A 18 18 ASP CB C 18 42.120 44.202 -2.082 1 1 217 . 18 1 1 A 18 18 ASP N N 18 120.730 123.621 -2.891 1 1 218 . 18 1 1 A 19 19 GLY H H 19 8.951 8.264 0.687 1 1 219 . 18 1 1 A 19 19 GLY HA2 H 19 2.920 3.787 -0.867 1 1 220 . 18 1 1 A 19 19 GLY HA3 H 19 2.978 3.830 -0.852 1 1 221 . 18 1 1 A 19 19 GLY C C 19 172.450 174.314 -1.864 1 1 222 . 18 1 1 A 19 19 GLY CA C 19 45.370 45.645 -0.275 1 1 223 . 18 1 1 A 19 19 GLY N N 19 110.580 110.343 0.237 1 1 224 . 18 1 1 A 20 20 LYS H H 20 8.110 7.596 0.514 1 1 225 . 18 1 1 A 20 20 LYS HA H 20 4.374 4.261 0.113 1 1 234 . 18 1 1 A 20 20 LYS C C 20 175.710 175.793 -0.083 1 1 235 . 18 1 1 A 20 20 LYS CA C 20 54.800 55.729 -0.929 1 1 236 . 18 1 1 A 20 20 LYS CB C 20 33.240 31.379 1.861 1 1 240 . 18 1 1 A 20 20 LYS N N 20 124.290 120.593 3.697 1 1 241 . 18 1 1 A 21 21 GLU H H 21 8.710 8.088 0.622 1 1 242 . 18 1 1 A 21 21 GLU HA H 21 3.930 4.290 -0.360 1 1 247 . 18 1 1 A 21 21 GLU C C 21 175.960 175.734 0.226 1 1 248 . 18 1 1 A 21 21 GLU CA C 21 56.940 56.428 0.512 1 1 249 . 18 1 1 A 21 21 GLU CB C 21 30.439 29.875 0.564 1 1 251 . 18 1 1 A 21 21 GLU N N 21 128.720 122.927 5.793 1 1 252 . 18 1 1 A 22 22 VAL H H 22 8.621 8.952 -0.331 1 1 253 . 18 1 1 A 22 22 VAL HA H 22 4.160 4.579 -0.419 1 1 261 . 18 1 1 A 22 22 VAL C C 22 175.210 175.460 -0.250 1 1 262 . 18 1 1 A 22 22 VAL CA C 22 61.027 60.690 0.337 1 1 263 . 18 1 1 A 22 22 VAL CB C 22 34.501 32.860 1.641 1 1 266 . 18 1 1 A 22 22 VAL N N 22 125.340 116.491 8.849 1 1 267 . 18 1 1 A 23 23 HIS H H 23 8.607 8.339 0.268 1 1 268 . 18 1 1 A 23 23 HIS HA H 23 4.820 4.685 0.135 1 1 273 . 18 1 1 A 23 23 HIS C C 23 175.040 175.578 -0.538 1 1 274 . 18 1 1 A 23 23 HIS CA C 23 55.498 56.003 -0.505 1 1 275 . 18 1 1 A 23 23 HIS CB C 23 30.660 29.415 1.245 1 1 278 . 18 1 1 A 23 23 HIS N N 23 124.000 122.640 1.360 1 1 279 . 18 1 1 A 24 24 SER H H 24 8.480 8.119 0.361 1 1 280 . 18 1 1 A 24 24 SER HA H 24 4.480 4.219 0.261 1 1 283 . 18 1 1 A 24 24 SER C C 24 173.860 174.285 -0.425 1 1 284 . 18 1 1 A 24 24 SER CA C 24 57.690 60.500 -2.810 1 1 285 . 18 1 1 A 24 24 SER CB C 24 64.580 63.221 1.359 1 1 286 . 18 1 1 A 24 24 SER N N 24 118.250 115.055 3.195 1 1 287 . 18 1 1 A 25 25 LYS H H 25 8.517 8.085 0.432 1 1 288 . 18 1 1 A 25 25 LYS HA H 25 4.561 4.587 -0.026 1 1 297 . 18 1 1 A 25 25 LYS C C 25 176.160 176.937 -0.777 1 1 298 . 18 1 1 A 25 25 LYS CA C 25 56.255 55.824 0.431 1 1 299 . 18 1 1 A 25 25 LYS CB C 25 33.714 33.329 0.385 1 1 303 . 18 1 1 A 25 25 LYS N N 25 122.750 116.904 5.846 1 1 304 . 18 1 1 A 26 26 ALA H H 26 8.468 8.157 0.311 1 1 305 . 18 1 1 A 26 26 ALA HA H 26 4.470 4.235 0.235 1 1 309 . 18 1 1 A 26 26 ALA C C 26 177.950 176.919 1.031 1 1 310 . 18 1 1 A 26 26 ALA CA C 26 51.912 52.441 -0.529 1 1 311 . 18 1 1 A 26 26 ALA CB C 26 20.050 17.962 2.088 1 1 312 . 18 1 1 A 26 26 ALA N N 26 125.370 122.312 3.058 1 1 313 . 18 1 1 A 27 27 ASP H H 27 8.509 7.698 0.811 1 1 314 . 18 1 1 A 27 27 ASP HA H 27 4.460 4.330 0.130 1 1 317 . 18 1 1 A 27 27 ASP C C 27 176.480 176.996 -0.516 1 1 318 . 18 1 1 A 27 27 ASP CA C 27 55.490 54.715 0.775 1 1 319 . 18 1 1 A 27 27 ASP CB C 27 40.771 40.976 -0.205 1 1 320 . 18 1 1 A 27 27 ASP N N 27 120.380 119.274 1.106 1 1 321 . 18 1 1 A 28 28 ASN H H 28 8.193 8.985 -0.792 1 1 322 . 18 1 1 A 28 28 ASN HA H 28 4.620 4.319 0.301 1 1 327 . 18 1 1 A 28 28 ASN C C 28 176.310 175.446 0.864 1 1 328 . 18 1 1 A 28 28 ASN CA C 28 53.050 54.142 -1.092 1 1 329 . 18 1 1 A 28 28 ASN CB C 28 38.080 37.944 0.136 1 1 330 . 18 1 1 A 28 28 ASN N N 28 117.470 121.667 -4.197 1 1 332 . 18 1 1 A 29 29 GLY H H 29 8.359 7.646 0.713 1 1 333 . 18 1 1 A 29 29 GLY HA2 H 29 4.110 4.070 0.040 1 1 334 . 18 1 1 A 29 29 GLY HA3 H 29 3.720 4.079 -0.359 1 1 335 . 18 1 1 A 29 29 GLY C C 29 174.365 173.945 0.420 1 1 336 . 18 1 1 A 29 29 GLY CA C 29 45.688 45.563 0.125 1 1 337 . 18 1 1 A 29 29 GLY N N 29 108.230 104.511 3.719 1 1 338 . 18 1 1 A 30 30 GLN H H 30 7.920 7.795 0.125 1 1 339 . 18 1 1 A 30 30 GLN HA H 30 4.200 4.371 -0.171 1 1 346 . 18 1 1 A 30 30 GLN C C 30 174.330 175.526 -1.196 1 1 347 . 18 1 1 A 30 30 GLN CA C 30 56.210 54.343 1.867 1 1 348 . 18 1 1 A 30 30 GLN CB C 30 29.320 27.162 2.158 1 1 350 . 18 1 1 A 30 30 GLN N N 30 119.670 119.766 -0.096 1 1 352 . 18 1 1 A 31 31 LYS H H 31 8.390 8.391 -0.001 1 1 353 . 18 1 1 A 31 31 LYS HA H 31 4.490 4.386 0.104 1 1 362 . 18 1 1 A 31 31 LYS C C 31 176.052 175.803 0.249 1 1 363 . 18 1 1 A 31 31 LYS CA C 31 56.417 57.427 -1.010 1 1 364 . 18 1 1 A 31 31 LYS CB C 31 33.414 33.136 0.278 1 1 368 . 18 1 1 A 31 31 LYS N N 31 121.950 124.349 -2.399 1 1 369 . 18 1 1 A 32 32 TYR H H 32 8.160 7.671 0.489 1 1 370 . 18 1 1 A 32 32 TYR HA H 32 4.770 5.154 -0.384 1 1 377 . 18 1 1 A 32 32 TYR C C 32 175.560 173.544 2.016 1 1 378 . 18 1 1 A 32 32 TYR CA C 32 56.300 56.262 0.038 1 1 379 . 18 1 1 A 32 32 TYR CB C 32 40.074 41.280 -1.206 1 1 384 . 18 1 1 A 32 32 TYR N N 32 119.960 116.779 3.181 1 1 385 . 18 1 1 A 33 33 LYS H H 33 8.397 8.690 -0.293 1 1 386 . 18 1 1 A 33 33 LYS HA H 33 4.610 4.570 0.040 1 1 395 . 18 1 1 A 33 33 LYS C C 33 174.080 174.285 -0.205 1 1 396 . 18 1 1 A 33 33 LYS CA C 33 55.512 55.858 -0.346 1 1 397 . 18 1 1 A 33 33 LYS CB C 33 34.570 34.078 0.492 1 1 401 . 18 1 1 A 33 33 LYS N N 33 122.080 121.676 0.404 1 1 402 . 18 1 1 A 34 34 ASP H H 34 8.140 8.830 -0.690 1 1 403 . 18 1 1 A 34 34 ASP HA H 34 5.040 5.213 -0.173 1 1 406 . 18 1 1 A 34 34 ASP C C 34 173.740 175.684 -1.944 1 1 407 . 18 1 1 A 34 34 ASP CA C 34 53.104 52.714 0.390 1 1 408 . 18 1 1 A 34 34 ASP CB C 34 44.290 43.235 1.055 1 1 409 . 18 1 1 A 34 34 ASP N N 34 121.430 126.065 -4.635 1 1 410 . 18 1 1 A 35 35 TYR H H 35 8.849 8.539 0.310 1 1 411 . 18 1 1 A 35 35 TYR HA H 35 4.660 4.811 -0.151 1 1 418 . 18 1 1 A 35 35 TYR C C 35 174.450 175.213 -0.763 1 1 419 . 18 1 1 A 35 35 TYR CA C 35 57.177 58.380 -1.203 1 1 420 . 18 1 1 A 35 35 TYR CB C 35 40.955 39.996 0.959 1 1 425 . 18 1 1 A 35 35 TYR N N 35 116.670 121.382 -4.712 1 1 426 . 18 1 1 A 36 36 GLU H H 36 9.144 8.475 0.669 1 1 427 . 18 1 1 A 36 36 GLU HA H 36 4.615 5.112 -0.497 1 1 432 . 18 1 1 A 36 36 GLU C C 36 175.850 174.048 1.802 1 1 433 . 18 1 1 A 36 36 GLU CA C 36 55.700 54.741 0.959 1 1 434 . 18 1 1 A 36 36 GLU CB C 36 32.541 33.433 -0.892 1 1 436 . 18 1 1 A 36 36 GLU N N 36 122.490 123.266 -0.776 1 1 437 . 18 1 1 A 37 37 TYR H H 37 8.598 9.140 -0.542 1 1 438 . 18 1 1 A 37 37 TYR HA H 37 4.090 4.873 -0.783 1 1 445 . 18 1 1 A 37 37 TYR C C 37 174.140 173.937 0.203 1 1 446 . 18 1 1 A 37 37 TYR CA C 37 58.399 56.234 2.165 1 1 447 . 18 1 1 A 37 37 TYR CB C 37 41.690 39.864 1.826 1 1 452 . 18 1 1 A 37 37 TYR N N 37 122.480 124.817 -2.337 1 1 453 . 18 1 1 A 38 38 LYS H H 38 8.410 8.894 -0.484 1 1 454 . 18 1 1 A 38 38 LYS HA H 38 5.080 4.634 0.446 1 1 463 . 18 1 1 A 38 38 LYS C C 38 174.980 174.592 0.388 1 1 464 . 18 1 1 A 38 38 LYS CA C 38 56.133 54.904 1.229 1 1 465 . 18 1 1 A 38 38 LYS CB C 38 33.525 32.920 0.605 1 1 469 . 18 1 1 A 38 38 LYS N N 38 124.250 125.754 -1.504 1 1 470 . 18 1 1 A 39 39 LEU H H 39 8.555 8.804 -0.249 1 1 471 . 18 1 1 A 39 39 LEU HA H 39 4.865 5.433 -0.568 1 1 480 . 18 1 1 A 39 39 LEU C C 39 175.120 176.878 -1.758 1 1 481 . 18 1 1 A 39 39 LEU CA C 39 53.316 53.492 -0.176 1 1 482 . 18 1 1 A 39 39 LEU CB C 39 47.338 44.401 2.937 1 1 485 . 18 1 1 A 39 39 LEU N N 39 124.840 127.688 -2.848 1 1 486 . 18 1 1 A 40 40 THR H H 40 8.615 8.718 -0.103 1 1 487 . 18 1 1 A 40 40 THR HA H 40 4.410 4.247 0.163 1 1 492 . 18 1 1 A 40 40 THR C C 40 173.360 174.305 -0.945 1 1 493 . 18 1 1 A 40 40 THR CA C 40 63.200 62.897 0.303 1 1 494 . 18 1 1 A 40 40 THR CB C 40 69.100 68.763 0.337 1 1 496 . 18 1 1 A 40 40 THR N N 40 118.390 118.476 -0.086 1 1 497 . 18 1 1 A 41 41 GLY H H 41 8.545 8.781 -0.236 1 1 498 . 18 1 1 A 41 41 GLY HA2 H 41 3.030 4.295 -1.265 1 1 499 . 18 1 1 A 41 41 GLY HA3 H 41 4.910 4.309 0.601 1 1 500 . 18 1 1 A 41 41 GLY C C 41 171.375 172.568 -1.193 1 1 501 . 18 1 1 A 41 41 GLY CA C 41 43.963 44.787 -0.824 1 1 502 . 18 1 1 A 41 41 GLY N N 41 113.500 114.909 -1.409 1 1 503 . 18 1 1 A 42 42 PHE H H 42 8.650 8.981 -0.331 1 1 504 . 18 1 1 A 42 42 PHE HA H 42 5.910 5.439 0.471 1 1 512 . 18 1 1 A 42 42 PHE C C 42 176.670 175.608 1.062 1 1 513 . 18 1 1 A 42 42 PHE CA C 42 56.260 58.174 -1.914 1 1 514 . 18 1 1 A 42 42 PHE CB C 42 44.750 40.725 4.025 1 1 520 . 18 1 1 A 42 42 PHE N N 42 113.300 124.546 -11.246 1 1 521 . 18 1 1 A 43 43 ASP H H 43 9.040 8.829 0.211 1 1 522 . 18 1 1 A 43 43 ASP HA H 43 5.100 4.147 0.953 1 1 525 . 18 1 1 A 43 43 ASP C C 43 177.790 177.557 0.233 1 1 526 . 18 1 1 A 43 43 ASP CA C 43 51.990 54.332 -2.342 1 1 527 . 18 1 1 A 43 43 ASP CB C 43 41.660 42.750 -1.090 1 1 528 . 18 1 1 A 43 43 ASP N N 43 123.450 123.999 -0.549 1 1 529 . 18 1 1 A 44 44 LYS H H 44 8.689 8.729 -0.040 1 1 530 . 18 1 1 A 44 44 LYS HA H 44 3.920 4.186 -0.266 1 1 539 . 18 1 1 A 44 44 LYS C C 44 175.450 177.371 -1.921 1 1 540 . 18 1 1 A 44 44 LYS CA C 44 58.730 58.651 0.079 1 1 541 . 18 1 1 A 44 44 LYS CB C 44 31.707 32.117 -0.410 1 1 545 . 18 1 1 A 44 44 LYS N N 44 113.360 126.112 -12.752 1 1 546 . 18 1 1 A 45 45 ASP H H 45 8.178 7.705 0.473 1 1 547 . 18 1 1 A 45 45 ASP HA H 45 4.930 4.644 0.286 1 1 550 . 18 1 1 A 45 45 ASP C C 45 176.710 176.488 0.222 1 1 551 . 18 1 1 A 45 45 ASP CA C 45 54.501 55.477 -0.976 1 1 552 . 18 1 1 A 45 45 ASP CB C 45 42.260 42.558 -0.298 1 1 553 . 18 1 1 A 45 45 ASP N N 45 119.050 119.410 -0.360 1 1 554 . 18 1 1 A 46 46 GLY H H 46 8.853 7.490 1.363 1 1 555 . 18 1 1 A 46 46 GLY HA2 H 46 4.120 4.179 -0.059 1 1 556 . 18 1 1 A 46 46 GLY HA3 H 46 3.350 4.217 -0.867 1 1 557 . 18 1 1 A 46 46 GLY C C 46 173.020 173.126 -0.106 1 1 558 . 18 1 1 A 46 46 GLY CA C 46 45.510 45.552 -0.042 1 1 559 . 18 1 1 A 46 46 GLY N N 46 110.250 106.155 4.095 1 1 560 . 18 1 1 A 47 47 LYS H H 47 8.640 8.599 0.041 1 1 561 . 18 1 1 A 47 47 LYS HA H 47 4.320 4.980 -0.660 1 1 570 . 18 1 1 A 47 47 LYS C C 47 176.180 174.655 1.525 1 1 571 . 18 1 1 A 47 47 LYS CA C 47 57.200 54.435 2.765 1 1 572 . 18 1 1 A 47 47 LYS CB C 47 32.300 36.956 -4.656 1 1 576 . 18 1 1 A 47 47 LYS N N 47 123.450 119.864 3.586 1 1 577 . 18 1 1 A 48 48 GLU H H 48 8.510 8.588 -0.078 1 1 578 . 18 1 1 A 48 48 GLU HA H 48 4.914 4.949 -0.035 1 1 583 . 18 1 1 A 48 48 GLU C C 48 176.545 175.597 0.948 1 1 584 . 18 1 1 A 48 48 GLU CA C 48 55.540 55.022 0.518 1 1 585 . 18 1 1 A 48 48 GLU CB C 48 32.850 31.541 1.309 1 1 587 . 18 1 1 A 48 48 GLU N N 48 123.300 121.473 1.827 1 1 588 . 18 1 1 A 49 49 LYS H H 49 8.304 8.668 -0.364 1 1 589 . 18 1 1 A 49 49 LYS HA H 49 4.080 4.663 -0.583 1 1 598 . 18 1 1 A 49 49 LYS C C 49 173.870 174.986 -1.116 1 1 599 . 18 1 1 A 49 49 LYS CA C 49 54.797 55.450 -0.653 1 1 600 . 18 1 1 A 49 49 LYS CB C 49 36.248 36.054 0.194 1 1 604 . 18 1 1 A 49 49 LYS N N 49 123.450 124.116 -0.666 1 1 605 . 18 1 1 A 50 50 GLU H H 50 8.377 8.641 -0.264 1 1 606 . 18 1 1 A 50 50 GLU HA H 50 4.298 4.673 -0.375 1 1 611 . 18 1 1 A 50 50 GLU C C 50 175.090 176.027 -0.937 1 1 612 . 18 1 1 A 50 50 GLU CA C 50 56.950 56.270 0.680 1 1 613 . 18 1 1 A 50 50 GLU CB C 50 29.872 30.300 -0.428 1 1 615 . 18 1 1 A 50 50 GLU N N 50 127.100 126.648 0.452 1 1 616 . 18 1 1 A 51 51 LEU H H 51 8.934 9.262 -0.328 1 1 617 . 18 1 1 A 51 51 LEU HA H 51 4.517 4.988 -0.471 1 1 627 . 18 1 1 A 51 51 LEU C C 51 174.890 175.944 -1.054 1 1 628 . 18 1 1 A 51 51 LEU CA C 51 53.817 53.240 0.577 1 1 629 . 18 1 1 A 51 51 LEU CB C 51 45.254 44.848 0.406 1 1 633 . 18 1 1 A 51 51 LEU N N 51 127.790 126.901 0.889 1 1 634 . 18 1 1 A 52 52 GLU H H 52 8.360 9.133 -0.773 1 1 635 . 18 1 1 A 52 52 GLU HA H 52 5.417 5.568 -0.151 1 1 640 . 18 1 1 A 52 52 GLU C C 52 174.890 174.764 0.126 1 1 641 . 18 1 1 A 52 52 GLU CA C 52 54.519 54.630 -0.111 1 1 642 . 18 1 1 A 52 52 GLU CB C 52 32.500 33.577 -1.077 1 1 644 . 18 1 1 A 52 52 GLU N N 52 121.180 121.128 0.052 1 1 645 . 18 1 1 A 53 53 PHE H H 53 8.465 8.645 -0.180 1 1 646 . 18 1 1 A 53 53 PHE HA H 53 5.130 5.196 -0.066 1 1 654 . 18 1 1 A 53 53 PHE C C 53 172.660 173.019 -0.359 1 1 655 . 18 1 1 A 53 53 PHE CA C 53 56.508 56.172 0.336 1 1 656 . 18 1 1 A 53 53 PHE CB C 53 40.095 40.956 -0.861 1 1 662 . 18 1 1 A 53 53 PHE N N 53 118.940 117.391 1.549 1 1 663 . 18 1 1 A 54 54 THR H H 54 8.622 9.020 -0.398 1 1 664 . 18 1 1 A 54 54 THR HA H 54 5.530 5.491 0.039 1 1 669 . 18 1 1 A 54 54 THR C C 54 173.470 174.530 -1.060 1 1 670 . 18 1 1 A 54 54 THR CA C 54 60.148 59.859 0.289 1 1 671 . 18 1 1 A 54 54 THR CB C 54 71.820 71.403 0.417 1 1 673 . 18 1 1 A 54 54 THR N N 54 112.280 112.160 0.120 1 1 674 . 18 1 1 A 55 55 ALA H H 55 9.710 9.183 0.527 1 1 675 . 18 1 1 A 55 55 ALA HA H 55 5.354 4.996 0.358 1 1 679 . 18 1 1 A 55 55 ALA C C 55 176.720 177.262 -0.542 1 1 680 . 18 1 1 A 55 55 ALA CA C 55 50.568 51.178 -0.610 1 1 681 . 18 1 1 A 55 55 ALA CB C 55 24.180 23.238 0.942 1 1 682 . 18 1 1 A 55 55 ALA N N 55 126.340 122.353 3.987 1 1 683 . 18 1 1 A 56 56 GLN H H 56 9.130 8.986 0.144 1 1 684 . 18 1 1 A 56 56 GLN HA H 56 5.030 4.506 0.524 1 1 691 . 18 1 1 A 56 56 GLN C C 56 174.960 176.179 -1.219 1 1 692 . 18 1 1 A 56 56 GLN CA C 56 56.820 57.112 -0.292 1 1 693 . 18 1 1 A 56 56 GLN CB C 56 29.180 30.342 -1.162 1 1 695 . 18 1 1 A 56 56 GLN N N 56 118.540 117.135 1.405 1 1 697 . 18 1 1 A 57 57 LYS H H 57 7.656 7.764 -0.108 1 1 698 . 18 1 1 A 57 57 LYS HA H 57 4.360 4.687 -0.327 1 1 707 . 18 1 1 A 57 57 LYS C C 57 172.490 175.083 -2.593 1 1 708 . 18 1 1 A 57 57 LYS CA C 57 54.351 54.367 -0.016 1 1 709 . 18 1 1 A 57 57 LYS CB C 57 35.360 35.853 -0.493 1 1 713 . 18 1 1 A 57 57 LYS N N 57 116.270 118.378 -2.108 1 1 714 . 18 1 1 A 58 58 ASN H H 58 7.709 8.420 -0.711 1 1 715 . 18 1 1 A 58 58 ASN HA H 58 4.000 5.246 -1.246 1 1 720 . 18 1 1 A 58 58 ASN C C 58 175.490 175.294 0.196 1 1 721 . 18 1 1 A 58 58 ASN CA C 58 53.498 52.721 0.777 1 1 722 . 18 1 1 A 58 58 ASN CB C 58 38.538 38.702 -0.164 1 1 723 . 18 1 1 A 58 58 ASN N N 58 117.960 119.966 -2.006 1 1 725 . 18 1 1 A 59 59 LEU H H 59 7.940 8.490 -0.550 1 1 726 . 18 1 1 A 59 59 LEU HA H 59 3.950 4.299 -0.349 1 1 736 . 18 1 1 A 59 59 LEU C C 59 176.410 177.217 -0.807 1 1 737 . 18 1 1 A 59 59 LEU CA C 59 54.550 54.478 0.072 1 1 738 . 18 1 1 A 59 59 LEU CB C 59 42.370 42.043 0.327 1 1 742 . 18 1 1 A 59 59 LEU N N 59 128.190 127.500 0.690 1 1 743 . 18 1 1 A 60 60 ARG H H 60 8.355 8.237 0.118 1 1 744 . 18 1 1 A 60 60 ARG HA H 60 3.870 4.226 -0.356 1 1 752 . 18 1 1 A 60 60 ARG C C 60 175.350 176.123 -0.773 1 1 753 . 18 1 1 A 60 60 ARG CA C 60 56.695 56.085 0.610 1 1 754 . 18 1 1 A 60 60 ARG CB C 60 31.290 30.289 1.001 1 1 757 . 18 1 1 A 60 60 ARG N N 60 123.759 121.042 2.717 1 1 759 . 18 1 1 A 61 61 LYS H H 61 8.178 8.665 -0.487 1 1 760 . 18 1 1 A 61 61 LYS HA H 61 3.680 4.236 -0.556 1 1 769 . 18 1 1 A 61 61 LYS C C 61 177.290 176.447 0.843 1 1 770 . 18 1 1 A 61 61 LYS CA C 61 58.733 57.909 0.824 1 1 771 . 18 1 1 A 61 61 LYS CB C 61 31.564 32.132 -0.568 1 1 775 . 18 1 1 A 61 61 LYS N N 61 125.600 124.793 0.807 1 1 776 . 18 1 1 A 62 62 GLU H H 62 8.949 8.217 0.732 1 1 777 . 18 1 1 A 62 62 GLU HA H 62 3.340 4.497 -1.157 1 1 782 . 18 1 1 A 62 62 GLU C C 62 176.170 176.154 0.016 1 1 783 . 18 1 1 A 62 62 GLU CA C 62 59.156 56.055 3.101 1 1 784 . 18 1 1 A 62 62 GLU CB C 62 28.040 32.015 -3.975 1 1 786 . 18 1 1 A 62 62 GLU N N 62 112.860 119.277 -6.417 1 1 787 . 18 1 1 A 63 63 ALA H H 63 7.604 7.208 0.396 1 1 788 . 18 1 1 A 63 63 ALA HA H 63 4.020 4.410 -0.390 1 1 792 . 18 1 1 A 63 63 ALA C C 63 175.530 176.159 -0.629 1 1 793 . 18 1 1 A 63 63 ALA CA C 63 53.074 51.879 1.195 1 1 794 . 18 1 1 A 63 63 ALA CB C 63 19.323 20.676 -1.353 1 1 795 . 18 1 1 A 63 63 ALA N N 63 122.700 122.267 0.433 1 1 796 . 18 1 1 A 64 64 PHE H H 64 8.876 8.774 0.102 1 1 797 . 18 1 1 A 64 64 PHE HA H 64 5.470 5.366 0.104 1 1 802 . 18 1 1 A 64 64 PHE C C 64 175.480 174.849 0.631 1 1 803 . 18 1 1 A 64 64 PHE CA C 64 56.780 56.089 0.691 1 1 804 . 18 1 1 A 64 64 PHE CB C 64 41.566 41.688 -0.122 1 1 807 . 18 1 1 A 64 64 PHE N N 64 118.670 116.532 2.138 1 1 808 . 18 1 1 A 65 65 LEU H H 65 8.870 8.943 -0.073 1 1 809 . 18 1 1 A 65 65 LEU HA H 65 5.390 5.789 -0.399 1 1 819 . 18 1 1 A 65 65 LEU C C 65 176.030 176.020 0.010 1 1 820 . 18 1 1 A 65 65 LEU CA C 65 52.926 53.250 -0.324 1 1 821 . 18 1 1 A 65 65 LEU CB C 65 45.561 44.014 1.547 1 1 825 . 18 1 1 A 65 65 LEU N N 65 118.700 123.652 -4.952 1 1 826 . 18 1 1 A 66 66 ARG H H 66 9.031 8.883 0.148 1 1 827 . 18 1 1 A 66 66 ARG HA H 66 4.345 4.772 -0.427 1 1 835 . 18 1 1 A 66 66 ARG C C 66 174.220 175.940 -1.720 1 1 836 . 18 1 1 A 66 66 ARG CA C 66 54.957 55.989 -1.032 1 1 837 . 18 1 1 A 66 66 ARG CB C 66 32.885 30.431 2.454 1 1 840 . 18 1 1 A 66 66 ARG N N 66 121.590 125.167 -3.577 1 1 842 . 18 1 1 A 67 67 VAL H H 67 9.359 8.737 0.622 1 1 843 . 18 1 1 A 67 67 VAL HA H 67 4.400 4.987 -0.587 1 1 851 . 18 1 1 A 67 67 VAL C C 67 174.070 174.721 -0.651 1 1 852 . 18 1 1 A 67 67 VAL CA C 67 60.910 61.087 -0.177 1 1 853 . 18 1 1 A 67 67 VAL CB C 67 33.960 33.481 0.479 1 1 856 . 18 1 1 A 67 67 VAL N N 67 126.230 119.202 7.028 1 1 857 . 18 1 1 A 68 68 TYR H H 68 8.710 9.266 -0.556 1 1 858 . 18 1 1 A 68 68 TYR HA H 68 5.070 4.727 0.343 1 1 865 . 18 1 1 A 68 68 TYR C C 68 175.390 174.652 0.738 1 1 866 . 18 1 1 A 68 68 TYR CA C 68 57.290 57.032 0.258 1 1 867 . 18 1 1 A 68 68 TYR CB C 68 38.690 38.671 0.019 1 1 872 . 18 1 1 A 68 68 TYR N N 68 125.200 126.213 -1.013 1 1 873 . 18 1 1 A 69 69 HIS H H 69 9.224 8.824 0.400 1 1 874 . 18 1 1 A 69 69 HIS HA H 69 5.200 4.624 0.576 1 1 879 . 18 1 1 A 69 69 HIS C C 69 173.600 173.643 -0.043 1 1 880 . 18 1 1 A 69 69 HIS CA C 69 56.502 55.056 1.446 1 1 881 . 18 1 1 A 69 69 HIS CB C 69 35.873 29.247 6.626 1 1 884 . 18 1 1 A 69 69 HIS N N 69 124.780 129.166 -4.386 1 1 885 . 18 1 1 A 70 70 SER H H 70 7.425 8.562 -1.137 1 1 886 . 18 1 1 A 70 70 SER HA H 70 4.800 4.927 -0.127 1 1 889 . 18 1 1 A 70 70 SER C C 70 173.790 174.170 -0.380 1 1 890 . 18 1 1 A 70 70 SER CA C 70 56.840 57.760 -0.920 1 1 891 . 18 1 1 A 70 70 SER CB C 70 66.500 64.784 1.716 1 1 892 . 18 1 1 A 70 70 SER N N 70 118.910 123.979 -5.069 1 1 893 . 18 1 1 A 71 71 ASP H H 71 9.020 9.087 -0.067 1 1 894 . 18 1 1 A 71 71 ASP HA H 71 4.390 4.331 0.059 1 1 897 . 18 1 1 A 71 71 ASP C C 71 178.030 177.389 0.641 1 1 898 . 18 1 1 A 71 71 ASP CA C 71 57.220 57.159 0.061 1 1 899 . 18 1 1 A 71 71 ASP CB C 71 40.622 40.109 0.513 1 1 900 . 18 1 1 A 71 71 ASP N N 71 123.340 126.046 -2.706 1 1 901 . 18 1 1 A 72 72 LYS H H 72 8.220 8.308 -0.088 1 1 902 . 18 1 1 A 72 72 LYS HA H 72 4.123 4.156 -0.033 1 1 911 . 18 1 1 A 72 72 LYS C C 72 177.560 176.724 0.836 1 1 912 . 18 1 1 A 72 72 LYS CA C 72 58.383 57.499 0.884 1 1 913 . 18 1 1 A 72 72 LYS CB C 72 32.778 31.690 1.088 1 1 917 . 18 1 1 A 72 72 LYS N N 72 116.640 117.359 -0.719 1 1 918 . 18 1 1 A 73 73 LYS H H 73 7.367 7.393 -0.026 1 1 919 . 18 1 1 A 73 73 LYS HA H 73 4.449 4.598 -0.149 1 1 928 . 18 1 1 A 73 73 LYS C C 73 176.750 176.746 0.004 1 1 929 . 18 1 1 A 73 73 LYS CA C 73 55.614 55.548 0.066 1 1 930 . 18 1 1 A 73 73 LYS CB C 73 33.910 34.659 -0.749 1 1 934 . 18 1 1 A 73 73 LYS N N 73 115.780 119.583 -3.803 1 1 935 . 18 1 1 A 74 74 GLY H H 74 8.240 8.430 -0.190 1 1 936 . 18 1 1 A 74 74 GLY HA2 H 74 3.630 3.808 -0.178 1 1 937 . 18 1 1 A 74 74 GLY HA3 H 74 4.240 3.886 0.354 1 1 938 . 18 1 1 A 74 74 GLY C C 74 174.817 173.735 1.082 1 1 939 . 18 1 1 A 74 74 GLY CA C 74 45.075 47.339 -2.264 1 1 940 . 18 1 1 A 74 74 GLY N N 74 110.370 108.687 1.683 1 1 941 . 18 1 1 A 75 75 VAL H H 75 9.140 8.057 1.083 1 1 942 . 18 1 1 A 75 75 VAL HA H 75 4.640 4.884 -0.244 1 1 950 . 18 1 1 A 75 75 VAL C C 75 177.000 175.372 1.628 1 1 951 . 18 1 1 A 75 75 VAL CA C 75 63.550 61.322 2.228 1 1 952 . 18 1 1 A 75 75 VAL CB C 75 32.237 34.691 -2.454 1 1 955 . 18 1 1 A 75 75 VAL N N 75 124.300 121.862 2.438 1 1 956 . 18 1 1 A 76 76 SER H H 76 9.020 8.536 0.484 1 1 957 . 18 1 1 A 76 76 SER HA H 76 4.640 4.534 0.106 1 1 960 . 18 1 1 A 76 76 SER C C 76 174.250 174.096 0.154 1 1 961 . 18 1 1 A 76 76 SER CA C 76 58.440 59.483 -1.043 1 1 962 . 18 1 1 A 76 76 SER CB C 76 64.550 64.131 0.419 1 1 963 . 18 1 1 A 76 76 SER N N 76 122.490 122.722 -0.232 1 1 964 . 18 1 1 A 77 77 ALA H H 77 7.890 7.517 0.373 1 1 965 . 18 1 1 A 77 77 ALA HA H 77 4.420 4.603 -0.183 1 1 969 . 18 1 1 A 77 77 ALA C C 77 174.430 175.201 -0.771 1 1 970 . 18 1 1 A 77 77 ALA CA C 77 51.940 51.487 0.453 1 1 971 . 18 1 1 A 77 77 ALA CB C 77 22.234 22.446 -0.212 1 1 972 . 18 1 1 A 77 77 ALA N N 77 122.930 120.209 2.721 1 1 973 . 18 1 1 A 78 78 TRP H H 78 7.776 8.330 -0.554 1 1 974 . 18 1 1 A 78 78 TRP HA H 78 5.690 5.624 0.066 1 1 982 . 18 1 1 A 78 78 TRP C C 78 174.450 173.535 0.915 1 1 983 . 18 1 1 A 78 78 TRP CA C 78 55.899 55.353 0.546 1 1 984 . 18 1 1 A 78 78 TRP CB C 78 32.602 32.502 0.100 1 1 989 . 18 1 1 A 78 78 TRP N N 78 114.705 117.296 -2.591 1 1 991 . 18 1 1 A 79 79 GLU H H 79 9.210 8.504 0.706 1 1 992 . 18 1 1 A 79 79 GLU HA H 79 4.730 4.960 -0.230 1 1 997 . 18 1 1 A 79 79 GLU C C 79 174.130 175.626 -1.496 1 1 998 . 18 1 1 A 79 79 GLU CA C 79 54.939 54.648 0.291 1 1 999 . 18 1 1 A 79 79 GLU CB C 79 31.656 33.253 -1.597 1 1 1001 . 18 1 1 A 79 79 GLU N N 79 114.860 120.466 -5.606 1 1 1002 . 18 1 1 A 80 80 GLU H H 80 9.120 8.905 0.215 1 1 1003 . 18 1 1 A 80 80 GLU HA H 80 5.030 4.817 0.213 1 1 1008 . 18 1 1 A 80 80 GLU C C 80 176.580 176.374 0.206 1 1 1009 . 18 1 1 A 80 80 GLU CA C 80 57.193 56.221 0.972 1 1 1010 . 18 1 1 A 80 80 GLU CB C 80 29.856 30.496 -0.640 1 1 1012 . 18 1 1 A 80 80 GLU N N 80 123.960 123.301 0.659 1 1 1013 . 18 1 1 A 81 81 VAL H H 81 8.694 9.251 -0.557 1 1 1014 . 18 1 1 A 81 81 VAL HA H 81 4.780 5.173 -0.393 1 1 1022 . 18 1 1 A 81 81 VAL C C 81 174.460 175.170 -0.710 1 1 1023 . 18 1 1 A 81 81 VAL CA C 81 58.927 59.190 -0.263 1 1 1024 . 18 1 1 A 81 81 VAL CB C 81 35.550 35.053 0.497 1 1 1027 . 18 1 1 A 81 81 VAL N N 81 118.990 118.076 0.914 1 1 1028 . 18 1 1 A 82 82 LYS H H 82 8.708 8.737 -0.029 1 1 1029 . 18 1 1 A 82 82 LYS HA H 82 4.580 4.721 -0.141 1 1 1038 . 18 1 1 A 82 82 LYS C C 82 178.380 177.737 0.643 1 1 1039 . 18 1 1 A 82 82 LYS CA C 82 55.212 54.441 0.771 1 1 1040 . 18 1 1 A 82 82 LYS CB C 82 33.689 34.511 -0.822 1 1 1044 . 18 1 1 A 82 82 LYS N N 82 120.850 122.000 -1.150 1 1 1045 . 18 1 1 A 83 83 LYS H H 83 8.870 8.910 -0.040 1 1 1046 . 18 1 1 A 83 83 LYS HA H 83 3.180 3.833 -0.653 1 1 1055 . 18 1 1 A 83 83 LYS C C 83 177.690 177.820 -0.130 1 1 1056 . 18 1 1 A 83 83 LYS CA C 83 59.370 58.710 0.660 1 1 1057 . 18 1 1 A 83 83 LYS CB C 83 32.209 31.960 0.249 1 1 1061 . 18 1 1 A 83 83 LYS N N 83 121.435 122.590 -1.155 1 1 1062 . 18 1 1 A 84 84 ASP H H 84 8.059 8.343 -0.284 1 1 1063 . 18 1 1 A 84 84 ASP HA H 84 4.220 4.307 -0.087 1 1 1066 . 18 1 1 A 84 84 ASP C C 84 177.100 178.189 -1.089 1 1 1067 . 18 1 1 A 84 84 ASP CA C 84 55.680 57.449 -1.769 1 1 1068 . 18 1 1 A 84 84 ASP CB C 84 40.392 40.117 0.275 1 1 1069 . 18 1 1 A 84 84 ASP N N 84 112.520 119.958 -7.438 1 1 1070 . 18 1 1 A 85 85 GLU H H 85 7.686 7.317 0.369 1 1 1071 . 18 1 1 A 85 85 GLU HA H 85 4.136 4.351 -0.215 1 1 1076 . 18 1 1 A 85 85 GLU C C 85 176.270 176.678 -0.408 1 1 1077 . 18 1 1 A 85 85 GLU CA C 85 56.133 56.520 -0.387 1 1 1078 . 18 1 1 A 85 85 GLU CB C 85 30.479 30.170 0.309 1 1 1080 . 18 1 1 A 85 85 GLU N N 85 116.930 116.029 0.901 1 1 1081 . 18 1 1 A 86 86 LEU H H 86 7.017 7.422 -0.405 1 1 1082 . 18 1 1 A 86 86 LEU HA H 86 3.710 4.331 -0.621 1 1 1092 . 18 1 1 A 86 86 LEU CA C 86 52.600 52.005 0.595 1 1 1093 . 18 1 1 A 86 86 LEU CB C 86 42.120 41.593 0.527 1 1 1097 . 18 1 1 A 86 86 LEU N N 86 119.530 122.525 -2.995 1 1 1098 . 18 1 1 A 87 87 PRO HA H 87 4.330 4.537 -0.207 1 1 1105 . 18 1 1 A 87 87 PRO C C 87 176.940 177.526 -0.586 1 1 1106 . 18 1 1 A 87 87 PRO CA C 87 62.400 62.598 -0.198 1 1 1107 . 18 1 1 A 87 87 PRO CB C 87 32.537 31.582 0.955 1 1 1110 . 18 1 1 A 88 88 ALA H H 88 8.943 8.585 0.358 1 1 1111 . 18 1 1 A 88 88 ALA HA H 88 3.780 3.919 -0.139 1 1 1115 . 18 1 1 A 88 88 ALA C C 88 180.520 179.523 0.997 1 1 1116 . 18 1 1 A 88 88 ALA CA C 88 56.911 54.864 2.047 1 1 1117 . 18 1 1 A 88 88 ALA CB C 88 18.502 18.189 0.313 1 1 1118 . 18 1 1 A 88 88 ALA N N 88 128.160 127.873 0.287 1 1 1119 . 18 1 1 A 89 89 LYS H H 89 9.270 8.123 1.147 1 1 1120 . 18 1 1 A 89 89 LYS HA H 89 3.990 3.919 0.071 1 1 1129 . 18 1 1 A 89 89 LYS C C 89 179.070 178.493 0.577 1 1 1130 . 18 1 1 A 89 89 LYS CA C 89 58.648 59.879 -1.231 1 1 1131 . 18 1 1 A 89 89 LYS CB C 89 31.962 32.195 -0.233 1 1 1135 . 18 1 1 A 89 89 LYS N N 89 115.610 118.870 -3.260 1 1 1136 . 18 1 1 A 90 90 VAL H H 90 6.846 7.715 -0.869 1 1 1137 . 18 1 1 A 90 90 VAL HA H 90 3.230 3.425 -0.195 1 1 1145 . 18 1 1 A 90 90 VAL C C 90 177.100 178.335 -1.235 1 1 1146 . 18 1 1 A 90 90 VAL CA C 90 65.870 66.823 -0.953 1 1 1147 . 18 1 1 A 90 90 VAL CB C 90 30.880 31.165 -0.285 1 1 1150 . 18 1 1 A 90 90 VAL N N 90 117.560 118.982 -1.422 1 1 1151 . 18 1 1 A 91 91 LYS H H 91 7.850 7.682 0.168 1 1 1152 . 18 1 1 A 91 91 LYS HA H 91 3.430 3.942 -0.512 1 1 1161 . 18 1 1 A 91 91 LYS C C 91 178.420 179.326 -0.906 1 1 1162 . 18 1 1 A 91 91 LYS CA C 91 61.028 59.109 1.919 1 1 1163 . 18 1 1 A 91 91 LYS CB C 91 32.387 31.726 0.661 1 1 1167 . 18 1 1 A 91 91 LYS N N 91 118.750 119.380 -0.630 1 1 1168 . 18 1 1 A 92 92 GLU H H 92 7.282 8.345 -1.063 1 1 1169 . 18 1 1 A 92 92 GLU HA H 92 3.990 4.077 -0.087 1 1 1174 . 18 1 1 A 92 92 GLU C C 92 179.380 179.531 -0.151 1 1 1175 . 18 1 1 A 92 92 GLU CA C 92 59.030 58.797 0.233 1 1 1176 . 18 1 1 A 92 92 GLU CB C 92 29.841 29.349 0.492 1 1 1178 . 18 1 1 A 92 92 GLU N N 92 115.375 119.499 -4.124 1 1 1179 . 18 1 1 A 93 93 LYS H H 93 7.343 7.729 -0.386 1 1 1180 . 18 1 1 A 93 93 LYS HA H 93 3.800 4.066 -0.266 1 1 1189 . 18 1 1 A 93 93 LYS C C 93 178.310 177.199 1.111 1 1 1190 . 18 1 1 A 93 93 LYS CA C 93 56.970 58.740 -1.770 1 1 1191 . 18 1 1 A 93 93 LYS CB C 93 30.740 31.886 -1.146 1 1 1195 . 18 1 1 A 93 93 LYS N N 93 118.370 120.406 -2.036 1 1 1196 . 18 1 1 A 94 94 LEU H H 94 8.000 7.789 0.211 1 1 1197 . 18 1 1 A 94 94 LEU HA H 94 4.360 3.959 0.401 1 1 1207 . 18 1 1 A 94 94 LEU C C 94 177.350 177.735 -0.385 1 1 1208 . 18 1 1 A 94 94 LEU CA C 94 54.765 56.585 -1.820 1 1 1209 . 18 1 1 A 94 94 LEU CB C 94 42.796 41.656 1.140 1 1 1213 . 18 1 1 A 94 94 LEU N N 94 115.600 120.169 -4.569 1 1 1214 . 18 1 1 A 95 95 GLY H H 95 7.601 8.775 -1.174 1 1 1215 . 18 1 1 A 95 95 GLY HA2 H 95 3.830 3.932 -0.102 1 1 1216 . 18 1 1 A 95 95 GLY HA3 H 95 3.950 3.939 0.011 1 1 1217 . 18 1 1 A 95 95 GLY C C 95 174.790 173.549 1.241 1 1 1218 . 18 1 1 A 95 95 GLY CA C 95 46.550 45.186 1.364 1 1 1219 . 18 1 1 A 95 95 GLY N N 95 108.540 114.775 -6.235 1 1 1220 . 18 1 1 A 96 96 VAL H H 96 7.957 7.736 0.221 1 1 1221 . 18 1 1 A 96 96 VAL HA H 96 3.940 4.572 -0.632 1 1 1229 . 18 1 1 A 96 96 VAL C C 96 175.540 175.304 0.236 1 1 1230 . 18 1 1 A 96 96 VAL CA C 96 62.314 60.697 1.617 1 1 1231 . 18 1 1 A 96 96 VAL CB C 96 32.155 34.979 -2.824 1 1 1234 . 18 1 1 A 96 96 VAL N N 96 119.490 121.732 -2.242 1 1 1235 . 18 1 1 A 97 97 LYS H H 97 8.293 8.530 -0.237 1 1 1236 . 18 1 1 A 97 97 LYS HA H 97 4.210 4.533 -0.323 1 1 1245 . 18 1 1 A 97 97 LYS C C 97 176.290 175.441 0.849 1 1 1246 . 18 1 1 A 97 97 LYS CA C 97 56.174 55.678 0.496 1 1 1247 . 18 1 1 A 97 97 LYS CB C 97 33.200 32.863 0.337 1 1 1251 . 18 1 1 A 97 97 LYS N N 97 126.120 120.224 5.896 1 1 1252 . 18 1 1 A 98 98 LEU H H 98 8.315 7.399 0.916 1 1 1253 . 18 1 1 A 98 98 LEU HA H 98 4.240 4.796 -0.556 1 1 1263 . 18 1 1 A 98 98 LEU C C 98 176.930 176.364 0.566 1 1 1264 . 18 1 1 A 98 98 LEU CA C 98 54.800 52.932 1.868 1 1 1265 . 18 1 1 A 98 98 LEU CB C 98 42.217 44.619 -2.402 1 1 1269 . 18 1 1 A 98 98 LEU N N 98 124.170 119.978 4.192 1 1 1270 . 18 1 1 A 99 99 GLU H H 99 8.375 8.844 -0.469 1 1 1271 . 18 1 1 A 99 99 GLU HA H 99 4.175 4.574 -0.399 1 1 1276 . 18 1 1 A 99 99 GLU C C 99 176.035 176.402 -0.367 1 1 1277 . 18 1 1 A 99 99 GLU CA C 99 56.352 57.707 -1.355 1 1 1278 . 18 1 1 A 99 99 GLU CB C 99 30.460 31.791 -1.331 1 1 1280 . 18 1 1 A 99 99 GLU N N 99 122.010 119.786 2.224 1 1 1281 . 18 1 1 A 100 100 HIS H H 100 8.350 7.455 0.895 1 1 1282 . 18 1 1 A 100 100 HIS HA H 100 4.565 4.689 -0.124 1 1 1285 . 18 1 1 A 100 100 HIS C C 100 173.880 173.060 0.820 1 1 1286 . 18 1 1 A 100 100 HIS CA C 100 56.050 56.875 -0.825 1 1 1287 . 18 1 1 A 100 100 HIS CB C 100 30.144 31.314 -1.170 1 1 1288 . 18 1 1 A 100 100 HIS N N 100 120.245 114.372 5.873 1 1 1289 . 18 1 1 A 101 101 HIS H H 101 8.134 7.809 0.325 1 1 1290 . 18 1 1 A 101 101 HIS HA H 101 4.410 5.136 -0.726 1 1 1293 . 18 1 1 A 101 101 HIS CA C 101 57.290 54.858 2.432 1 1 1294 . 18 1 1 A 101 101 HIS CB C 101 31.450 33.901 -2.451 1 1 1 . 19 1 1 A 2 2 ASP HA H 2 4.670 5.034 -0.364 1 1 4 . 19 1 1 A 2 2 ASP C C 2 176.480 177.478 -0.998 1 1 5 . 19 1 1 A 2 2 ASP CA C 2 53.400 52.790 0.610 1 1 6 . 19 1 1 A 2 2 ASP CB C 2 41.170 42.840 -1.670 1 1 7 . 19 1 1 A 3 3 LEU H H 3 8.650 8.608 0.042 1 1 8 . 19 1 1 A 3 3 LEU HA H 3 4.116 3.878 0.238 1 1 18 . 19 1 1 A 3 3 LEU C C 3 177.880 178.251 -0.371 1 1 19 . 19 1 1 A 3 3 LEU CA C 3 56.390 57.666 -1.276 1 1 20 . 19 1 1 A 3 3 LEU CB C 3 41.660 41.393 0.267 1 1 24 . 19 1 1 A 3 3 LEU N N 3 125.300 124.171 1.129 1 1 25 . 19 1 1 A 4 4 ASN H H 4 8.370 8.245 0.125 1 1 26 . 19 1 1 A 4 4 ASN HA H 4 4.490 4.663 -0.173 1 1 31 . 19 1 1 A 4 4 ASN C C 4 175.050 177.013 -1.963 1 1 32 . 19 1 1 A 4 4 ASN CA C 4 54.320 55.886 -1.566 1 1 33 . 19 1 1 A 4 4 ASN CB C 4 38.240 38.212 0.028 1 1 34 . 19 1 1 A 4 4 ASN N N 4 116.550 117.709 -1.159 1 1 36 . 19 1 1 A 5 5 ARG H H 5 7.645 7.743 -0.098 1 1 37 . 19 1 1 A 5 5 ARG HA H 5 3.920 4.253 -0.333 1 1 45 . 19 1 1 A 5 5 ARG C C 5 176.030 176.827 -0.797 1 1 46 . 19 1 1 A 5 5 ARG CA C 5 56.180 58.276 -2.096 1 1 47 . 19 1 1 A 5 5 ARG CB C 5 31.570 30.800 0.770 1 1 50 . 19 1 1 A 5 5 ARG N N 5 118.590 117.522 1.068 1 1 52 . 19 1 1 A 6 6 MET H H 6 7.809 7.497 0.312 1 1 53 . 19 1 1 A 6 6 MET HA H 6 4.355 4.686 -0.331 1 1 58 . 19 1 1 A 6 6 MET C C 6 176.940 175.644 1.296 1 1 59 . 19 1 1 A 6 6 MET CA C 6 56.290 53.957 2.333 1 1 60 . 19 1 1 A 6 6 MET CB C 6 33.020 31.419 1.601 1 1 62 . 19 1 1 A 6 6 MET N N 6 120.180 118.591 1.589 1 1 63 . 19 1 1 A 7 7 GLY H H 7 8.906 8.517 0.389 1 1 64 . 19 1 1 A 7 7 GLY HA2 H 7 3.870 4.338 -0.468 1 1 65 . 19 1 1 A 7 7 GLY HA3 H 7 3.950 4.530 -0.580 1 1 66 . 19 1 1 A 7 7 GLY C C 7 174.280 174.912 -0.632 1 1 67 . 19 1 1 A 7 7 GLY CA C 7 46.110 45.857 0.253 1 1 68 . 19 1 1 A 7 7 GLY N N 7 112.660 112.106 0.554 1 1 69 . 19 1 1 A 8 8 LYS H H 8 7.819 8.579 -0.760 1 1 70 . 19 1 1 A 8 8 LYS HA H 8 4.550 4.223 0.327 1 1 79 . 19 1 1 A 8 8 LYS C C 8 176.060 175.625 0.435 1 1 80 . 19 1 1 A 8 8 LYS CA C 8 54.444 58.494 -4.050 1 1 81 . 19 1 1 A 8 8 LYS CB C 8 33.760 33.135 0.625 1 1 85 . 19 1 1 A 8 8 LYS N N 8 119.130 123.294 -4.164 1 1 86 . 19 1 1 A 9 9 ASP H H 9 8.790 7.523 1.267 1 1 87 . 19 1 1 A 9 9 ASP HA H 9 4.730 4.799 -0.069 1 1 90 . 19 1 1 A 9 9 ASP C C 9 174.530 174.023 0.507 1 1 91 . 19 1 1 A 9 9 ASP CA C 9 54.560 52.935 1.625 1 1 92 . 19 1 1 A 9 9 ASP CB C 9 42.530 43.110 -0.580 1 1 93 . 19 1 1 A 9 9 ASP N N 9 121.550 118.119 3.431 1 1 94 . 19 1 1 A 10 10 GLU H H 10 7.950 8.609 -0.659 1 1 95 . 19 1 1 A 10 10 GLU HA H 10 4.570 5.091 -0.521 1 1 100 . 19 1 1 A 10 10 GLU C C 10 174.080 174.440 -0.360 1 1 101 . 19 1 1 A 10 10 GLU CA C 10 54.640 54.888 -0.248 1 1 102 . 19 1 1 A 10 10 GLU CB C 10 31.380 31.015 0.365 1 1 104 . 19 1 1 A 10 10 GLU N N 10 119.640 123.686 -4.046 1 1 105 . 19 1 1 A 11 11 TYR H H 11 8.767 9.110 -0.343 1 1 106 . 19 1 1 A 11 11 TYR HA H 11 4.555 4.922 -0.367 1 1 113 . 19 1 1 A 11 11 TYR C C 11 173.480 174.738 -1.258 1 1 114 . 19 1 1 A 11 11 TYR CA C 11 56.360 56.138 0.222 1 1 115 . 19 1 1 A 11 11 TYR CB C 11 43.860 40.246 3.614 1 1 120 . 19 1 1 A 11 11 TYR N N 11 120.960 124.143 -3.183 1 1 121 . 19 1 1 A 12 12 TYR H H 12 9.290 9.014 0.276 1 1 122 . 19 1 1 A 12 12 TYR HA H 12 5.730 5.229 0.501 1 1 129 . 19 1 1 A 12 12 TYR C C 12 175.700 176.105 -0.405 1 1 130 . 19 1 1 A 12 12 TYR CA C 12 56.680 57.577 -0.897 1 1 131 . 19 1 1 A 12 12 TYR CB C 12 42.180 38.228 3.952 1 1 136 . 19 1 1 A 12 12 TYR N N 12 118.880 122.920 -4.040 1 1 137 . 19 1 1 A 13 13 VAL H H 13 8.670 8.693 -0.023 1 1 138 . 19 1 1 A 13 13 VAL HA H 13 5.050 5.046 0.004 1 1 146 . 19 1 1 A 13 13 VAL C C 13 174.820 175.383 -0.563 1 1 147 . 19 1 1 A 13 13 VAL CA C 13 58.130 59.009 -0.879 1 1 148 . 19 1 1 A 13 13 VAL CB C 13 35.890 35.284 0.606 1 1 151 . 19 1 1 A 13 13 VAL N N 13 112.280 118.320 -6.040 1 1 152 . 19 1 1 A 14 14 GLN H H 14 8.760 8.274 0.486 1 1 153 . 19 1 1 A 14 14 GLN HA H 14 5.090 4.406 0.684 1 1 160 . 19 1 1 A 14 14 GLN C C 14 175.000 175.067 -0.067 1 1 161 . 19 1 1 A 14 14 GLN CA C 14 53.520 53.321 0.199 1 1 162 . 19 1 1 A 14 14 GLN CB C 14 31.250 29.322 1.928 1 1 164 . 19 1 1 A 14 14 GLN N N 14 120.910 120.082 0.828 1 1 166 . 19 1 1 A 15 15 ILE H H 15 8.843 8.767 0.076 1 1 167 . 19 1 1 A 15 15 ILE HA H 15 3.900 4.176 -0.276 1 1 177 . 19 1 1 A 15 15 ILE C C 15 177.090 176.724 0.366 1 1 178 . 19 1 1 A 15 15 ILE CA C 15 59.269 61.290 -2.021 1 1 179 . 19 1 1 A 15 15 ILE CB C 15 34.050 36.943 -2.893 1 1 183 . 19 1 1 A 15 15 ILE N N 15 125.520 122.112 3.408 1 1 184 . 19 1 1 A 16 16 THR H H 16 7.996 8.968 -0.972 1 1 185 . 19 1 1 A 16 16 THR HA H 16 4.540 4.401 0.139 1 1 190 . 19 1 1 A 16 16 THR C C 16 173.650 174.600 -0.950 1 1 191 . 19 1 1 A 16 16 THR CA C 16 61.180 62.442 -1.262 1 1 192 . 19 1 1 A 16 16 THR CB C 16 69.300 69.037 0.263 1 1 194 . 19 1 1 A 16 16 THR N N 16 118.080 119.191 -1.111 1 1 195 . 19 1 1 A 17 17 VAL H H 17 7.240 7.586 -0.346 1 1 196 . 19 1 1 A 17 17 VAL HA H 17 4.659 4.473 0.186 1 1 204 . 19 1 1 A 17 17 VAL C C 17 175.135 174.927 0.208 1 1 205 . 19 1 1 A 17 17 VAL CA C 17 58.870 60.352 -1.482 1 1 206 . 19 1 1 A 17 17 VAL CB C 17 36.070 33.646 2.424 1 1 209 . 19 1 1 A 17 17 VAL N N 17 113.230 119.420 -6.190 1 1 210 . 19 1 1 A 18 18 ASP H H 18 8.280 8.515 -0.235 1 1 211 . 19 1 1 A 18 18 ASP HA H 18 5.010 4.714 0.296 1 1 214 . 19 1 1 A 18 18 ASP C C 18 177.350 175.370 1.980 1 1 215 . 19 1 1 A 18 18 ASP CA C 18 54.765 51.830 2.935 1 1 216 . 19 1 1 A 18 18 ASP CB C 18 42.120 44.235 -2.115 1 1 217 . 19 1 1 A 18 18 ASP N N 18 120.730 124.138 -3.408 1 1 218 . 19 1 1 A 19 19 GLY H H 19 8.951 8.324 0.627 1 1 219 . 19 1 1 A 19 19 GLY HA2 H 19 2.920 3.137 -0.217 1 1 220 . 19 1 1 A 19 19 GLY HA3 H 19 2.978 3.623 -0.645 1 1 221 . 19 1 1 A 19 19 GLY C C 19 172.450 174.083 -1.633 1 1 222 . 19 1 1 A 19 19 GLY CA C 19 45.370 45.306 0.064 1 1 223 . 19 1 1 A 19 19 GLY N N 19 110.580 110.008 0.572 1 1 224 . 19 1 1 A 20 20 LYS H H 20 8.110 7.742 0.368 1 1 225 . 19 1 1 A 20 20 LYS HA H 20 4.374 4.345 0.029 1 1 234 . 19 1 1 A 20 20 LYS C C 20 175.710 175.300 0.410 1 1 235 . 19 1 1 A 20 20 LYS CA C 20 54.800 55.379 -0.579 1 1 236 . 19 1 1 A 20 20 LYS CB C 20 33.240 31.696 1.544 1 1 240 . 19 1 1 A 20 20 LYS N N 20 124.290 122.345 1.945 1 1 241 . 19 1 1 A 21 21 GLU H H 21 8.710 8.117 0.593 1 1 242 . 19 1 1 A 21 21 GLU HA H 21 3.930 4.870 -0.940 1 1 247 . 19 1 1 A 21 21 GLU C C 21 175.960 175.788 0.172 1 1 248 . 19 1 1 A 21 21 GLU CA C 21 56.940 56.350 0.590 1 1 249 . 19 1 1 A 21 21 GLU CB C 21 30.439 30.086 0.353 1 1 251 . 19 1 1 A 21 21 GLU N N 21 128.720 125.812 2.908 1 1 252 . 19 1 1 A 22 22 VAL H H 22 8.621 8.947 -0.326 1 1 253 . 19 1 1 A 22 22 VAL HA H 22 4.160 4.754 -0.594 1 1 261 . 19 1 1 A 22 22 VAL C C 22 175.210 174.254 0.956 1 1 262 . 19 1 1 A 22 22 VAL CA C 22 61.027 60.835 0.192 1 1 263 . 19 1 1 A 22 22 VAL CB C 22 34.501 32.782 1.719 1 1 266 . 19 1 1 A 22 22 VAL N N 22 125.340 119.939 5.401 1 1 267 . 19 1 1 A 23 23 HIS H H 23 8.607 9.039 -0.432 1 1 268 . 19 1 1 A 23 23 HIS HA H 23 4.820 4.684 0.136 1 1 273 . 19 1 1 A 23 23 HIS C C 23 175.040 174.381 0.659 1 1 274 . 19 1 1 A 23 23 HIS CA C 23 55.498 54.651 0.847 1 1 275 . 19 1 1 A 23 23 HIS CB C 23 30.660 28.655 2.005 1 1 278 . 19 1 1 A 23 23 HIS N N 23 124.000 128.062 -4.062 1 1 279 . 19 1 1 A 24 24 SER H H 24 8.480 8.255 0.225 1 1 280 . 19 1 1 A 24 24 SER HA H 24 4.480 4.504 -0.024 1 1 283 . 19 1 1 A 24 24 SER C C 24 173.860 172.985 0.875 1 1 284 . 19 1 1 A 24 24 SER CA C 24 57.690 57.268 0.422 1 1 285 . 19 1 1 A 24 24 SER CB C 24 64.580 63.634 0.946 1 1 286 . 19 1 1 A 24 24 SER N N 24 118.250 121.739 -3.489 1 1 287 . 19 1 1 A 25 25 LYS H H 25 8.517 7.439 1.078 1 1 288 . 19 1 1 A 25 25 LYS HA H 25 4.561 4.490 0.071 1 1 297 . 19 1 1 A 25 25 LYS C C 25 176.160 174.597 1.563 1 1 298 . 19 1 1 A 25 25 LYS CA C 25 56.255 55.661 0.594 1 1 299 . 19 1 1 A 25 25 LYS CB C 25 33.714 32.534 1.180 1 1 303 . 19 1 1 A 25 25 LYS N N 25 122.750 124.718 -1.968 1 1 304 . 19 1 1 A 26 26 ALA H H 26 8.468 7.997 0.471 1 1 305 . 19 1 1 A 26 26 ALA HA H 26 4.470 4.360 0.110 1 1 309 . 19 1 1 A 26 26 ALA C C 26 177.950 175.217 2.733 1 1 310 . 19 1 1 A 26 26 ALA CA C 26 51.912 51.791 0.121 1 1 311 . 19 1 1 A 26 26 ALA CB C 26 20.050 19.177 0.873 1 1 312 . 19 1 1 A 26 26 ALA N N 26 125.370 123.604 1.766 1 1 313 . 19 1 1 A 27 27 ASP H H 27 8.509 8.418 0.091 1 1 314 . 19 1 1 A 27 27 ASP HA H 27 4.460 5.098 -0.638 1 1 317 . 19 1 1 A 27 27 ASP C C 27 176.480 176.354 0.126 1 1 318 . 19 1 1 A 27 27 ASP CA C 27 55.490 52.949 2.541 1 1 319 . 19 1 1 A 27 27 ASP CB C 27 40.771 44.037 -3.266 1 1 320 . 19 1 1 A 27 27 ASP N N 27 120.380 118.491 1.889 1 1 321 . 19 1 1 A 28 28 ASN H H 28 8.193 8.647 -0.454 1 1 322 . 19 1 1 A 28 28 ASN HA H 28 4.620 4.703 -0.083 1 1 327 . 19 1 1 A 28 28 ASN C C 28 176.310 176.271 0.039 1 1 328 . 19 1 1 A 28 28 ASN CA C 28 53.050 55.096 -2.046 1 1 329 . 19 1 1 A 28 28 ASN CB C 28 38.080 38.175 -0.095 1 1 330 . 19 1 1 A 28 28 ASN N N 28 117.470 119.602 -2.132 1 1 332 . 19 1 1 A 29 29 GLY H H 29 8.359 7.723 0.636 1 1 333 . 19 1 1 A 29 29 GLY HA2 H 29 4.110 4.090 0.020 1 1 334 . 19 1 1 A 29 29 GLY HA3 H 29 3.720 4.110 -0.390 1 1 335 . 19 1 1 A 29 29 GLY C C 29 174.365 174.299 0.066 1 1 336 . 19 1 1 A 29 29 GLY CA C 29 45.688 45.743 -0.055 1 1 337 . 19 1 1 A 29 29 GLY N N 29 108.230 105.866 2.364 1 1 338 . 19 1 1 A 30 30 GLN H H 30 7.920 7.742 0.178 1 1 339 . 19 1 1 A 30 30 GLN HA H 30 4.200 4.222 -0.022 1 1 346 . 19 1 1 A 30 30 GLN C C 30 174.330 175.734 -1.404 1 1 347 . 19 1 1 A 30 30 GLN CA C 30 56.210 56.169 0.041 1 1 348 . 19 1 1 A 30 30 GLN CB C 30 29.320 29.383 -0.063 1 1 350 . 19 1 1 A 30 30 GLN N N 30 119.670 121.388 -1.718 1 1 352 . 19 1 1 A 31 31 LYS H H 31 8.390 8.603 -0.213 1 1 353 . 19 1 1 A 31 31 LYS HA H 31 4.490 4.716 -0.226 1 1 362 . 19 1 1 A 31 31 LYS C C 31 176.052 174.698 1.354 1 1 363 . 19 1 1 A 31 31 LYS CA C 31 56.417 55.239 1.178 1 1 364 . 19 1 1 A 31 31 LYS CB C 31 33.414 31.810 1.604 1 1 368 . 19 1 1 A 31 31 LYS N N 31 121.950 127.391 -5.441 1 1 369 . 19 1 1 A 32 32 TYR H H 32 8.160 8.952 -0.792 1 1 370 . 19 1 1 A 32 32 TYR HA H 32 4.770 4.938 -0.168 1 1 377 . 19 1 1 A 32 32 TYR C C 32 175.560 175.484 0.076 1 1 378 . 19 1 1 A 32 32 TYR CA C 32 56.300 57.258 -0.958 1 1 379 . 19 1 1 A 32 32 TYR CB C 32 40.074 40.325 -0.251 1 1 384 . 19 1 1 A 32 32 TYR N N 32 119.960 124.986 -5.026 1 1 385 . 19 1 1 A 33 33 LYS H H 33 8.397 8.929 -0.532 1 1 386 . 19 1 1 A 33 33 LYS HA H 33 4.610 4.939 -0.329 1 1 395 . 19 1 1 A 33 33 LYS C C 33 174.080 175.103 -1.023 1 1 396 . 19 1 1 A 33 33 LYS CA C 33 55.512 54.877 0.635 1 1 397 . 19 1 1 A 33 33 LYS CB C 33 34.570 34.699 -0.129 1 1 401 . 19 1 1 A 33 33 LYS N N 33 122.080 122.216 -0.136 1 1 402 . 19 1 1 A 34 34 ASP H H 34 8.140 8.751 -0.611 1 1 403 . 19 1 1 A 34 34 ASP HA H 34 5.040 4.860 0.180 1 1 406 . 19 1 1 A 34 34 ASP C C 34 173.740 175.510 -1.770 1 1 407 . 19 1 1 A 34 34 ASP CA C 34 53.104 53.211 -0.107 1 1 408 . 19 1 1 A 34 34 ASP CB C 34 44.290 42.440 1.850 1 1 409 . 19 1 1 A 34 34 ASP N N 34 121.430 124.578 -3.148 1 1 410 . 19 1 1 A 35 35 TYR H H 35 8.849 8.956 -0.107 1 1 411 . 19 1 1 A 35 35 TYR HA H 35 4.660 5.282 -0.622 1 1 418 . 19 1 1 A 35 35 TYR C C 35 174.450 174.829 -0.379 1 1 419 . 19 1 1 A 35 35 TYR CA C 35 57.177 57.691 -0.514 1 1 420 . 19 1 1 A 35 35 TYR CB C 35 40.955 39.520 1.435 1 1 425 . 19 1 1 A 35 35 TYR N N 35 116.670 121.301 -4.631 1 1 426 . 19 1 1 A 36 36 GLU H H 36 9.144 9.128 0.016 1 1 427 . 19 1 1 A 36 36 GLU HA H 36 4.615 4.474 0.141 1 1 432 . 19 1 1 A 36 36 GLU C C 36 175.850 174.556 1.294 1 1 433 . 19 1 1 A 36 36 GLU CA C 36 55.700 55.538 0.162 1 1 434 . 19 1 1 A 36 36 GLU CB C 36 32.541 30.138 2.403 1 1 436 . 19 1 1 A 36 36 GLU N N 36 122.490 125.291 -2.801 1 1 437 . 19 1 1 A 37 37 TYR H H 37 8.598 8.743 -0.145 1 1 438 . 19 1 1 A 37 37 TYR HA H 37 4.090 4.654 -0.564 1 1 445 . 19 1 1 A 37 37 TYR C C 37 174.140 174.277 -0.137 1 1 446 . 19 1 1 A 37 37 TYR CA C 37 58.399 56.716 1.683 1 1 447 . 19 1 1 A 37 37 TYR CB C 37 41.690 36.946 4.744 1 1 452 . 19 1 1 A 37 37 TYR N N 37 122.480 127.072 -4.592 1 1 453 . 19 1 1 A 38 38 LYS H H 38 8.410 8.648 -0.238 1 1 454 . 19 1 1 A 38 38 LYS HA H 38 5.080 4.944 0.136 1 1 463 . 19 1 1 A 38 38 LYS C C 38 174.980 175.217 -0.237 1 1 464 . 19 1 1 A 38 38 LYS CA C 38 56.133 55.001 1.132 1 1 465 . 19 1 1 A 38 38 LYS CB C 38 33.525 33.740 -0.215 1 1 469 . 19 1 1 A 38 38 LYS N N 38 124.250 126.276 -2.026 1 1 470 . 19 1 1 A 39 39 LEU H H 39 8.555 9.115 -0.560 1 1 471 . 19 1 1 A 39 39 LEU HA H 39 4.865 4.978 -0.113 1 1 480 . 19 1 1 A 39 39 LEU C C 39 175.120 176.218 -1.098 1 1 481 . 19 1 1 A 39 39 LEU CA C 39 53.316 53.285 0.031 1 1 482 . 19 1 1 A 39 39 LEU CB C 39 47.338 44.530 2.808 1 1 485 . 19 1 1 A 39 39 LEU N N 39 124.840 129.452 -4.612 1 1 486 . 19 1 1 A 40 40 THR H H 40 8.615 8.566 0.049 1 1 487 . 19 1 1 A 40 40 THR HA H 40 4.410 4.444 -0.034 1 1 492 . 19 1 1 A 40 40 THR C C 40 173.360 174.204 -0.844 1 1 493 . 19 1 1 A 40 40 THR CA C 40 63.200 62.223 0.977 1 1 494 . 19 1 1 A 40 40 THR CB C 40 69.100 68.192 0.908 1 1 496 . 19 1 1 A 40 40 THR N N 40 118.390 120.189 -1.799 1 1 497 . 19 1 1 A 41 41 GLY H H 41 8.545 8.559 -0.014 1 1 498 . 19 1 1 A 41 41 GLY HA2 H 41 3.030 3.446 -0.416 1 1 499 . 19 1 1 A 41 41 GLY HA3 H 41 4.910 3.724 1.186 1 1 500 . 19 1 1 A 41 41 GLY C C 41 171.375 172.566 -1.191 1 1 501 . 19 1 1 A 41 41 GLY CA C 41 43.963 45.477 -1.514 1 1 502 . 19 1 1 A 41 41 GLY N N 41 113.500 112.489 1.011 1 1 503 . 19 1 1 A 42 42 PHE H H 42 8.650 8.898 -0.248 1 1 504 . 19 1 1 A 42 42 PHE HA H 42 5.910 5.269 0.641 1 1 512 . 19 1 1 A 42 42 PHE C C 42 176.670 175.760 0.910 1 1 513 . 19 1 1 A 42 42 PHE CA C 42 56.260 58.063 -1.803 1 1 514 . 19 1 1 A 42 42 PHE CB C 42 44.750 40.711 4.039 1 1 520 . 19 1 1 A 42 42 PHE N N 42 113.300 123.612 -10.312 1 1 521 . 19 1 1 A 43 43 ASP H H 43 9.040 8.353 0.687 1 1 522 . 19 1 1 A 43 43 ASP HA H 43 5.100 5.001 0.099 1 1 525 . 19 1 1 A 43 43 ASP C C 43 177.790 177.535 0.255 1 1 526 . 19 1 1 A 43 43 ASP CA C 43 51.990 54.420 -2.430 1 1 527 . 19 1 1 A 43 43 ASP CB C 43 41.660 42.289 -0.629 1 1 528 . 19 1 1 A 43 43 ASP N N 43 123.450 124.323 -0.873 1 1 529 . 19 1 1 A 44 44 LYS H H 44 8.689 8.902 -0.213 1 1 530 . 19 1 1 A 44 44 LYS HA H 44 3.920 3.995 -0.075 1 1 539 . 19 1 1 A 44 44 LYS C C 44 175.450 178.668 -3.218 1 1 540 . 19 1 1 A 44 44 LYS CA C 44 58.730 60.113 -1.383 1 1 541 . 19 1 1 A 44 44 LYS CB C 44 31.707 32.138 -0.431 1 1 545 . 19 1 1 A 44 44 LYS N N 44 113.360 124.826 -11.466 1 1 546 . 19 1 1 A 45 45 ASP H H 45 8.178 7.922 0.256 1 1 547 . 19 1 1 A 45 45 ASP HA H 45 4.930 4.458 0.472 1 1 550 . 19 1 1 A 45 45 ASP C C 45 176.710 176.263 0.447 1 1 551 . 19 1 1 A 45 45 ASP CA C 45 54.501 56.122 -1.621 1 1 552 . 19 1 1 A 45 45 ASP CB C 45 42.260 41.529 0.731 1 1 553 . 19 1 1 A 45 45 ASP N N 45 119.050 118.171 0.879 1 1 554 . 19 1 1 A 46 46 GLY H H 46 8.853 7.744 1.109 1 1 555 . 19 1 1 A 46 46 GLY HA2 H 46 4.120 4.096 0.024 1 1 556 . 19 1 1 A 46 46 GLY HA3 H 46 3.350 4.125 -0.775 1 1 557 . 19 1 1 A 46 46 GLY C C 46 173.020 174.114 -1.094 1 1 558 . 19 1 1 A 46 46 GLY CA C 46 45.510 45.305 0.205 1 1 559 . 19 1 1 A 46 46 GLY N N 46 110.250 106.557 3.693 1 1 560 . 19 1 1 A 47 47 LYS H H 47 8.640 7.888 0.752 1 1 561 . 19 1 1 A 47 47 LYS HA H 47 4.320 4.818 -0.498 1 1 570 . 19 1 1 A 47 47 LYS C C 47 176.180 175.359 0.821 1 1 571 . 19 1 1 A 47 47 LYS CA C 47 57.200 54.545 2.655 1 1 572 . 19 1 1 A 47 47 LYS CB C 47 32.300 35.167 -2.867 1 1 576 . 19 1 1 A 47 47 LYS N N 47 123.450 118.819 4.631 1 1 577 . 19 1 1 A 48 48 GLU H H 48 8.510 8.947 -0.437 1 1 578 . 19 1 1 A 48 48 GLU HA H 48 4.914 5.039 -0.125 1 1 583 . 19 1 1 A 48 48 GLU C C 48 176.545 174.480 2.065 1 1 584 . 19 1 1 A 48 48 GLU CA C 48 55.540 54.649 0.891 1 1 585 . 19 1 1 A 48 48 GLU CB C 48 32.850 32.975 -0.125 1 1 587 . 19 1 1 A 48 48 GLU N N 48 123.300 118.116 5.184 1 1 588 . 19 1 1 A 49 49 LYS H H 49 8.304 8.358 -0.054 1 1 589 . 19 1 1 A 49 49 LYS HA H 49 4.080 4.701 -0.621 1 1 598 . 19 1 1 A 49 49 LYS C C 49 173.870 173.886 -0.016 1 1 599 . 19 1 1 A 49 49 LYS CA C 49 54.797 54.813 -0.016 1 1 600 . 19 1 1 A 49 49 LYS CB C 49 36.248 36.001 0.247 1 1 604 . 19 1 1 A 49 49 LYS N N 49 123.450 121.270 2.180 1 1 605 . 19 1 1 A 50 50 GLU H H 50 8.377 8.612 -0.235 1 1 606 . 19 1 1 A 50 50 GLU HA H 50 4.298 4.621 -0.323 1 1 611 . 19 1 1 A 50 50 GLU C C 50 175.090 175.337 -0.247 1 1 612 . 19 1 1 A 50 50 GLU CA C 50 56.950 55.525 1.425 1 1 613 . 19 1 1 A 50 50 GLU CB C 50 29.872 30.739 -0.867 1 1 615 . 19 1 1 A 50 50 GLU N N 50 127.100 127.300 -0.200 1 1 616 . 19 1 1 A 51 51 LEU H H 51 8.934 8.982 -0.048 1 1 617 . 19 1 1 A 51 51 LEU HA H 51 4.517 5.143 -0.626 1 1 627 . 19 1 1 A 51 51 LEU C C 51 174.890 175.810 -0.920 1 1 628 . 19 1 1 A 51 51 LEU CA C 51 53.817 53.427 0.390 1 1 629 . 19 1 1 A 51 51 LEU CB C 51 45.254 45.687 -0.433 1 1 633 . 19 1 1 A 51 51 LEU N N 51 127.790 128.400 -0.610 1 1 634 . 19 1 1 A 52 52 GLU H H 52 8.360 8.699 -0.339 1 1 635 . 19 1 1 A 52 52 GLU HA H 52 5.417 5.087 0.330 1 1 640 . 19 1 1 A 52 52 GLU C C 52 174.890 174.925 -0.035 1 1 641 . 19 1 1 A 52 52 GLU CA C 52 54.519 55.496 -0.977 1 1 642 . 19 1 1 A 52 52 GLU CB C 52 32.500 32.940 -0.440 1 1 644 . 19 1 1 A 52 52 GLU N N 52 121.180 122.350 -1.170 1 1 645 . 19 1 1 A 53 53 PHE H H 53 8.465 8.724 -0.259 1 1 646 . 19 1 1 A 53 53 PHE HA H 53 5.130 5.719 -0.589 1 1 654 . 19 1 1 A 53 53 PHE C C 53 172.660 173.673 -1.013 1 1 655 . 19 1 1 A 53 53 PHE CA C 53 56.508 55.443 1.065 1 1 656 . 19 1 1 A 53 53 PHE CB C 53 40.095 42.561 -2.466 1 1 662 . 19 1 1 A 53 53 PHE N N 53 118.940 121.981 -3.041 1 1 663 . 19 1 1 A 54 54 THR H H 54 8.622 9.097 -0.475 1 1 664 . 19 1 1 A 54 54 THR HA H 54 5.530 5.431 0.099 1 1 669 . 19 1 1 A 54 54 THR C C 54 173.470 174.095 -0.625 1 1 670 . 19 1 1 A 54 54 THR CA C 54 60.148 60.790 -0.642 1 1 671 . 19 1 1 A 54 54 THR CB C 54 71.820 70.150 1.670 1 1 673 . 19 1 1 A 54 54 THR N N 54 112.280 114.476 -2.196 1 1 674 . 19 1 1 A 55 55 ALA H H 55 9.710 8.846 0.864 1 1 675 . 19 1 1 A 55 55 ALA HA H 55 5.354 5.052 0.302 1 1 679 . 19 1 1 A 55 55 ALA C C 55 176.720 178.936 -2.216 1 1 680 . 19 1 1 A 55 55 ALA CA C 55 50.568 51.048 -0.480 1 1 681 . 19 1 1 A 55 55 ALA CB C 55 24.180 21.045 3.135 1 1 682 . 19 1 1 A 55 55 ALA N N 55 126.340 129.297 -2.957 1 1 683 . 19 1 1 A 56 56 GLN H H 56 9.130 8.900 0.230 1 1 684 . 19 1 1 A 56 56 GLN HA H 56 5.030 4.202 0.828 1 1 691 . 19 1 1 A 56 56 GLN C C 56 174.960 175.467 -0.507 1 1 692 . 19 1 1 A 56 56 GLN CA C 56 56.820 57.128 -0.308 1 1 693 . 19 1 1 A 56 56 GLN CB C 56 29.180 28.893 0.287 1 1 695 . 19 1 1 A 56 56 GLN N N 56 118.540 119.198 -0.658 1 1 697 . 19 1 1 A 57 57 LYS H H 57 7.656 7.700 -0.044 1 1 698 . 19 1 1 A 57 57 LYS HA H 57 4.360 5.145 -0.785 1 1 707 . 19 1 1 A 57 57 LYS C C 57 172.490 175.223 -2.733 1 1 708 . 19 1 1 A 57 57 LYS CA C 57 54.351 54.869 -0.518 1 1 709 . 19 1 1 A 57 57 LYS CB C 57 35.360 37.441 -2.081 1 1 713 . 19 1 1 A 57 57 LYS N N 57 116.270 119.080 -2.810 1 1 714 . 19 1 1 A 58 58 ASN H H 58 7.709 8.856 -1.147 1 1 715 . 19 1 1 A 58 58 ASN HA H 58 4.000 5.060 -1.060 1 1 720 . 19 1 1 A 58 58 ASN C C 58 175.490 175.396 0.094 1 1 721 . 19 1 1 A 58 58 ASN CA C 58 53.498 53.715 -0.217 1 1 722 . 19 1 1 A 58 58 ASN CB C 58 38.538 39.392 -0.854 1 1 723 . 19 1 1 A 58 58 ASN N N 58 117.960 120.719 -2.759 1 1 725 . 19 1 1 A 59 59 LEU H H 59 7.940 8.966 -1.026 1 1 726 . 19 1 1 A 59 59 LEU HA H 59 3.950 4.318 -0.368 1 1 736 . 19 1 1 A 59 59 LEU C C 59 176.410 176.844 -0.434 1 1 737 . 19 1 1 A 59 59 LEU CA C 59 54.550 57.021 -2.471 1 1 738 . 19 1 1 A 59 59 LEU CB C 59 42.370 41.810 0.560 1 1 742 . 19 1 1 A 59 59 LEU N N 59 128.190 128.402 -0.212 1 1 743 . 19 1 1 A 60 60 ARG H H 60 8.355 7.721 0.634 1 1 744 . 19 1 1 A 60 60 ARG HA H 60 3.870 4.841 -0.971 1 1 752 . 19 1 1 A 60 60 ARG C C 60 175.350 175.525 -0.175 1 1 753 . 19 1 1 A 60 60 ARG CA C 60 56.695 54.050 2.645 1 1 754 . 19 1 1 A 60 60 ARG CB C 60 31.290 33.315 -2.025 1 1 757 . 19 1 1 A 60 60 ARG N N 60 123.759 116.727 7.032 1 1 759 . 19 1 1 A 61 61 LYS H H 61 8.178 8.581 -0.403 1 1 760 . 19 1 1 A 61 61 LYS HA H 61 3.680 4.515 -0.835 1 1 769 . 19 1 1 A 61 61 LYS C C 61 177.290 177.618 -0.328 1 1 770 . 19 1 1 A 61 61 LYS CA C 61 58.733 57.249 1.484 1 1 771 . 19 1 1 A 61 61 LYS CB C 61 31.564 34.307 -2.743 1 1 775 . 19 1 1 A 61 61 LYS N N 61 125.600 119.937 5.663 1 1 776 . 19 1 1 A 62 62 GLU H H 62 8.949 8.043 0.906 1 1 777 . 19 1 1 A 62 62 GLU HA H 62 3.340 4.205 -0.865 1 1 782 . 19 1 1 A 62 62 GLU C C 62 176.170 176.907 -0.737 1 1 783 . 19 1 1 A 62 62 GLU CA C 62 59.156 58.843 0.313 1 1 784 . 19 1 1 A 62 62 GLU CB C 62 28.040 29.652 -1.612 1 1 786 . 19 1 1 A 62 62 GLU N N 62 112.860 119.413 -6.553 1 1 787 . 19 1 1 A 63 63 ALA H H 63 7.604 7.542 0.062 1 1 788 . 19 1 1 A 63 63 ALA HA H 63 4.020 4.482 -0.462 1 1 792 . 19 1 1 A 63 63 ALA C C 63 175.530 177.503 -1.973 1 1 793 . 19 1 1 A 63 63 ALA CA C 63 53.074 52.624 0.450 1 1 794 . 19 1 1 A 63 63 ALA CB C 63 19.323 19.439 -0.116 1 1 795 . 19 1 1 A 63 63 ALA N N 63 122.700 122.192 0.508 1 1 796 . 19 1 1 A 64 64 PHE H H 64 8.876 8.945 -0.069 1 1 797 . 19 1 1 A 64 64 PHE HA H 64 5.470 5.177 0.293 1 1 802 . 19 1 1 A 64 64 PHE C C 64 175.480 175.614 -0.134 1 1 803 . 19 1 1 A 64 64 PHE CA C 64 56.780 56.934 -0.154 1 1 804 . 19 1 1 A 64 64 PHE CB C 64 41.566 41.501 0.065 1 1 807 . 19 1 1 A 64 64 PHE N N 64 118.670 118.783 -0.113 1 1 808 . 19 1 1 A 65 65 LEU H H 65 8.870 9.191 -0.321 1 1 809 . 19 1 1 A 65 65 LEU HA H 65 5.390 5.125 0.265 1 1 819 . 19 1 1 A 65 65 LEU C C 65 176.030 175.830 0.200 1 1 820 . 19 1 1 A 65 65 LEU CA C 65 52.926 53.698 -0.772 1 1 821 . 19 1 1 A 65 65 LEU CB C 65 45.561 46.172 -0.611 1 1 825 . 19 1 1 A 65 65 LEU N N 65 118.700 120.716 -2.016 1 1 826 . 19 1 1 A 66 66 ARG H H 66 9.031 8.846 0.185 1 1 827 . 19 1 1 A 66 66 ARG HA H 66 4.345 4.567 -0.222 1 1 835 . 19 1 1 A 66 66 ARG C C 66 174.220 175.004 -0.784 1 1 836 . 19 1 1 A 66 66 ARG CA C 66 54.957 55.772 -0.815 1 1 837 . 19 1 1 A 66 66 ARG CB C 66 32.885 29.934 2.951 1 1 840 . 19 1 1 A 66 66 ARG N N 66 121.590 124.247 -2.657 1 1 842 . 19 1 1 A 67 67 VAL H H 67 9.359 8.561 0.798 1 1 843 . 19 1 1 A 67 67 VAL HA H 67 4.400 4.390 0.010 1 1 851 . 19 1 1 A 67 67 VAL C C 67 174.070 174.757 -0.687 1 1 852 . 19 1 1 A 67 67 VAL CA C 67 60.910 61.829 -0.919 1 1 853 . 19 1 1 A 67 67 VAL CB C 67 33.960 32.384 1.576 1 1 856 . 19 1 1 A 67 67 VAL N N 67 126.230 124.770 1.460 1 1 857 . 19 1 1 A 68 68 TYR H H 68 8.710 8.941 -0.231 1 1 858 . 19 1 1 A 68 68 TYR HA H 68 5.070 4.979 0.091 1 1 865 . 19 1 1 A 68 68 TYR C C 68 175.390 174.346 1.044 1 1 866 . 19 1 1 A 68 68 TYR CA C 68 57.290 57.212 0.078 1 1 867 . 19 1 1 A 68 68 TYR CB C 68 38.690 39.883 -1.193 1 1 872 . 19 1 1 A 68 68 TYR N N 68 125.200 128.341 -3.141 1 1 873 . 19 1 1 A 69 69 HIS H H 69 9.224 8.773 0.451 1 1 874 . 19 1 1 A 69 69 HIS HA H 69 5.200 5.336 -0.136 1 1 879 . 19 1 1 A 69 69 HIS C C 69 173.600 174.124 -0.524 1 1 880 . 19 1 1 A 69 69 HIS CA C 69 56.502 55.208 1.294 1 1 881 . 19 1 1 A 69 69 HIS CB C 69 35.873 31.777 4.096 1 1 884 . 19 1 1 A 69 69 HIS N N 69 124.780 129.359 -4.579 1 1 885 . 19 1 1 A 70 70 SER H H 70 7.425 8.529 -1.104 1 1 886 . 19 1 1 A 70 70 SER HA H 70 4.800 4.583 0.217 1 1 889 . 19 1 1 A 70 70 SER C C 70 173.790 174.357 -0.567 1 1 890 . 19 1 1 A 70 70 SER CA C 70 56.840 56.014 0.826 1 1 891 . 19 1 1 A 70 70 SER CB C 70 66.500 66.645 -0.145 1 1 892 . 19 1 1 A 70 70 SER N N 70 118.910 119.717 -0.807 1 1 893 . 19 1 1 A 71 71 ASP H H 71 9.020 9.004 0.016 1 1 894 . 19 1 1 A 71 71 ASP HA H 71 4.390 4.380 0.010 1 1 897 . 19 1 1 A 71 71 ASP C C 71 178.030 178.075 -0.045 1 1 898 . 19 1 1 A 71 71 ASP CA C 71 57.220 56.898 0.322 1 1 899 . 19 1 1 A 71 71 ASP CB C 71 40.622 40.758 -0.136 1 1 900 . 19 1 1 A 71 71 ASP N N 71 123.340 121.279 2.061 1 1 901 . 19 1 1 A 72 72 LYS H H 72 8.220 7.998 0.222 1 1 902 . 19 1 1 A 72 72 LYS HA H 72 4.123 4.133 -0.010 1 1 911 . 19 1 1 A 72 72 LYS C C 72 177.560 177.280 0.280 1 1 912 . 19 1 1 A 72 72 LYS CA C 72 58.383 58.383 0.000 1 1 913 . 19 1 1 A 72 72 LYS CB C 72 32.778 32.509 0.269 1 1 917 . 19 1 1 A 72 72 LYS N N 72 116.640 117.529 -0.889 1 1 918 . 19 1 1 A 73 73 LYS H H 73 7.367 7.786 -0.419 1 1 919 . 19 1 1 A 73 73 LYS HA H 73 4.449 4.487 -0.038 1 1 928 . 19 1 1 A 73 73 LYS C C 73 176.750 177.668 -0.918 1 1 929 . 19 1 1 A 73 73 LYS CA C 73 55.614 56.016 -0.402 1 1 930 . 19 1 1 A 73 73 LYS CB C 73 33.910 34.330 -0.420 1 1 934 . 19 1 1 A 73 73 LYS N N 73 115.780 118.342 -2.562 1 1 935 . 19 1 1 A 74 74 GLY H H 74 8.240 8.590 -0.350 1 1 936 . 19 1 1 A 74 74 GLY HA2 H 74 3.630 4.016 -0.386 1 1 937 . 19 1 1 A 74 74 GLY HA3 H 74 4.240 4.035 0.205 1 1 938 . 19 1 1 A 74 74 GLY C C 74 174.817 173.698 1.119 1 1 939 . 19 1 1 A 74 74 GLY CA C 74 45.075 46.128 -1.053 1 1 940 . 19 1 1 A 74 74 GLY N N 74 110.370 109.238 1.132 1 1 941 . 19 1 1 A 75 75 VAL H H 75 9.140 8.038 1.102 1 1 942 . 19 1 1 A 75 75 VAL HA H 75 4.640 5.301 -0.661 1 1 950 . 19 1 1 A 75 75 VAL C C 75 177.000 175.156 1.844 1 1 951 . 19 1 1 A 75 75 VAL CA C 75 63.550 61.511 2.039 1 1 952 . 19 1 1 A 75 75 VAL CB C 75 32.237 34.163 -1.926 1 1 955 . 19 1 1 A 75 75 VAL N N 75 124.300 120.804 3.496 1 1 956 . 19 1 1 A 76 76 SER H H 76 9.020 8.789 0.231 1 1 957 . 19 1 1 A 76 76 SER HA H 76 4.640 4.515 0.125 1 1 960 . 19 1 1 A 76 76 SER C C 76 174.250 174.214 0.036 1 1 961 . 19 1 1 A 76 76 SER CA C 76 58.440 59.612 -1.172 1 1 962 . 19 1 1 A 76 76 SER CB C 76 64.550 64.223 0.327 1 1 963 . 19 1 1 A 76 76 SER N N 76 122.490 122.804 -0.314 1 1 964 . 19 1 1 A 77 77 ALA H H 77 7.890 7.523 0.367 1 1 965 . 19 1 1 A 77 77 ALA HA H 77 4.420 4.436 -0.016 1 1 969 . 19 1 1 A 77 77 ALA C C 77 174.430 175.274 -0.844 1 1 970 . 19 1 1 A 77 77 ALA CA C 77 51.940 51.717 0.223 1 1 971 . 19 1 1 A 77 77 ALA CB C 77 22.234 22.118 0.116 1 1 972 . 19 1 1 A 77 77 ALA N N 77 122.930 119.455 3.475 1 1 973 . 19 1 1 A 78 78 TRP H H 78 7.776 8.297 -0.521 1 1 974 . 19 1 1 A 78 78 TRP HA H 78 5.690 5.815 -0.125 1 1 982 . 19 1 1 A 78 78 TRP C C 78 174.450 173.410 1.040 1 1 983 . 19 1 1 A 78 78 TRP CA C 78 55.899 55.761 0.138 1 1 984 . 19 1 1 A 78 78 TRP CB C 78 32.602 32.095 0.507 1 1 989 . 19 1 1 A 78 78 TRP N N 78 114.705 116.495 -1.790 1 1 991 . 19 1 1 A 79 79 GLU H H 79 9.210 8.417 0.793 1 1 992 . 19 1 1 A 79 79 GLU HA H 79 4.730 4.989 -0.259 1 1 997 . 19 1 1 A 79 79 GLU C C 79 174.130 175.350 -1.220 1 1 998 . 19 1 1 A 79 79 GLU CA C 79 54.939 54.556 0.383 1 1 999 . 19 1 1 A 79 79 GLU CB C 79 31.656 32.869 -1.213 1 1 1001 . 19 1 1 A 79 79 GLU N N 79 114.860 121.354 -6.494 1 1 1002 . 19 1 1 A 80 80 GLU H H 80 9.120 8.840 0.280 1 1 1003 . 19 1 1 A 80 80 GLU HA H 80 5.030 4.764 0.266 1 1 1008 . 19 1 1 A 80 80 GLU C C 80 176.580 176.339 0.241 1 1 1009 . 19 1 1 A 80 80 GLU CA C 80 57.193 56.669 0.524 1 1 1010 . 19 1 1 A 80 80 GLU CB C 80 29.856 30.736 -0.880 1 1 1012 . 19 1 1 A 80 80 GLU N N 80 123.960 123.592 0.368 1 1 1013 . 19 1 1 A 81 81 VAL H H 81 8.694 8.998 -0.304 1 1 1014 . 19 1 1 A 81 81 VAL HA H 81 4.780 4.872 -0.092 1 1 1022 . 19 1 1 A 81 81 VAL C C 81 174.460 174.593 -0.133 1 1 1023 . 19 1 1 A 81 81 VAL CA C 81 58.927 59.115 -0.188 1 1 1024 . 19 1 1 A 81 81 VAL CB C 81 35.550 35.993 -0.443 1 1 1027 . 19 1 1 A 81 81 VAL N N 81 118.990 120.208 -1.218 1 1 1028 . 19 1 1 A 82 82 LYS H H 82 8.708 8.862 -0.154 1 1 1029 . 19 1 1 A 82 82 LYS HA H 82 4.580 4.491 0.089 1 1 1038 . 19 1 1 A 82 82 LYS C C 82 178.380 178.022 0.358 1 1 1039 . 19 1 1 A 82 82 LYS CA C 82 55.212 55.599 -0.387 1 1 1040 . 19 1 1 A 82 82 LYS CB C 82 33.689 33.226 0.463 1 1 1044 . 19 1 1 A 82 82 LYS N N 82 120.850 122.718 -1.868 1 1 1045 . 19 1 1 A 83 83 LYS H H 83 8.870 8.784 0.086 1 1 1046 . 19 1 1 A 83 83 LYS HA H 83 3.180 3.852 -0.672 1 1 1055 . 19 1 1 A 83 83 LYS C C 83 177.690 175.852 1.838 1 1 1056 . 19 1 1 A 83 83 LYS CA C 83 59.370 57.974 1.396 1 1 1057 . 19 1 1 A 83 83 LYS CB C 83 32.209 31.668 0.541 1 1 1061 . 19 1 1 A 83 83 LYS N N 83 121.435 121.202 0.233 1 1 1062 . 19 1 1 A 84 84 ASP H H 84 8.059 7.857 0.202 1 1 1063 . 19 1 1 A 84 84 ASP HA H 84 4.220 4.629 -0.409 1 1 1066 . 19 1 1 A 84 84 ASP C C 84 177.100 177.197 -0.097 1 1 1067 . 19 1 1 A 84 84 ASP CA C 84 55.680 54.413 1.267 1 1 1068 . 19 1 1 A 84 84 ASP CB C 84 40.392 41.577 -1.185 1 1 1069 . 19 1 1 A 84 84 ASP N N 84 112.520 119.025 -6.505 1 1 1070 . 19 1 1 A 85 85 GLU H H 85 7.686 8.417 -0.731 1 1 1071 . 19 1 1 A 85 85 GLU HA H 85 4.136 4.326 -0.190 1 1 1076 . 19 1 1 A 85 85 GLU C C 85 176.270 176.598 -0.328 1 1 1077 . 19 1 1 A 85 85 GLU CA C 85 56.133 56.767 -0.634 1 1 1078 . 19 1 1 A 85 85 GLU CB C 85 30.479 29.348 1.131 1 1 1080 . 19 1 1 A 85 85 GLU N N 85 116.930 114.987 1.943 1 1 1081 . 19 1 1 A 86 86 LEU H H 86 7.017 7.276 -0.259 1 1 1082 . 19 1 1 A 86 86 LEU HA H 86 3.710 4.288 -0.578 1 1 1092 . 19 1 1 A 86 86 LEU CA C 86 52.600 53.139 -0.539 1 1 1093 . 19 1 1 A 86 86 LEU CB C 86 42.120 40.357 1.763 1 1 1097 . 19 1 1 A 86 86 LEU N N 86 119.530 125.165 -5.635 1 1 1098 . 19 1 1 A 87 87 PRO HA H 87 4.330 4.427 -0.097 1 1 1105 . 19 1 1 A 87 87 PRO C C 87 176.940 177.568 -0.628 1 1 1106 . 19 1 1 A 87 87 PRO CA C 87 62.400 62.987 -0.587 1 1 1107 . 19 1 1 A 87 87 PRO CB C 87 32.537 32.644 -0.107 1 1 1110 . 19 1 1 A 88 88 ALA H H 88 8.943 8.649 0.294 1 1 1111 . 19 1 1 A 88 88 ALA HA H 88 3.780 3.982 -0.202 1 1 1115 . 19 1 1 A 88 88 ALA C C 88 180.520 179.716 0.804 1 1 1116 . 19 1 1 A 88 88 ALA CA C 88 56.911 55.057 1.854 1 1 1117 . 19 1 1 A 88 88 ALA CB C 88 18.502 18.002 0.500 1 1 1118 . 19 1 1 A 88 88 ALA N N 88 128.160 126.514 1.646 1 1 1119 . 19 1 1 A 89 89 LYS H H 89 9.270 7.957 1.313 1 1 1120 . 19 1 1 A 89 89 LYS HA H 89 3.990 4.104 -0.114 1 1 1129 . 19 1 1 A 89 89 LYS C C 89 179.070 179.181 -0.111 1 1 1130 . 19 1 1 A 89 89 LYS CA C 89 58.648 58.436 0.212 1 1 1131 . 19 1 1 A 89 89 LYS CB C 89 31.962 32.049 -0.087 1 1 1135 . 19 1 1 A 89 89 LYS N N 89 115.610 117.310 -1.700 1 1 1136 . 19 1 1 A 90 90 VAL H H 90 6.846 8.121 -1.275 1 1 1137 . 19 1 1 A 90 90 VAL HA H 90 3.230 3.447 -0.217 1 1 1145 . 19 1 1 A 90 90 VAL C C 90 177.100 177.822 -0.722 1 1 1146 . 19 1 1 A 90 90 VAL CA C 90 65.870 66.898 -1.028 1 1 1147 . 19 1 1 A 90 90 VAL CB C 90 30.880 31.496 -0.616 1 1 1150 . 19 1 1 A 90 90 VAL N N 90 117.560 120.106 -2.546 1 1 1151 . 19 1 1 A 91 91 LYS H H 91 7.850 7.995 -0.145 1 1 1152 . 19 1 1 A 91 91 LYS HA H 91 3.430 4.037 -0.607 1 1 1161 . 19 1 1 A 91 91 LYS C C 91 178.420 179.280 -0.860 1 1 1162 . 19 1 1 A 91 91 LYS CA C 91 61.028 59.402 1.626 1 1 1163 . 19 1 1 A 91 91 LYS CB C 91 32.387 32.025 0.362 1 1 1167 . 19 1 1 A 91 91 LYS N N 91 118.750 118.662 0.088 1 1 1168 . 19 1 1 A 92 92 GLU H H 92 7.282 7.562 -0.280 1 1 1169 . 19 1 1 A 92 92 GLU HA H 92 3.990 4.100 -0.110 1 1 1174 . 19 1 1 A 92 92 GLU C C 92 179.380 177.897 1.483 1 1 1175 . 19 1 1 A 92 92 GLU CA C 92 59.030 58.797 0.233 1 1 1176 . 19 1 1 A 92 92 GLU CB C 92 29.841 29.634 0.207 1 1 1178 . 19 1 1 A 92 92 GLU N N 92 115.375 119.863 -4.488 1 1 1179 . 19 1 1 A 93 93 LYS H H 93 7.343 7.453 -0.110 1 1 1180 . 19 1 1 A 93 93 LYS HA H 93 3.800 4.365 -0.565 1 1 1189 . 19 1 1 A 93 93 LYS C C 93 178.310 176.873 1.437 1 1 1190 . 19 1 1 A 93 93 LYS CA C 93 56.970 57.414 -0.444 1 1 1191 . 19 1 1 A 93 93 LYS CB C 93 30.740 34.061 -3.321 1 1 1195 . 19 1 1 A 93 93 LYS N N 93 118.370 117.336 1.034 1 1 1196 . 19 1 1 A 94 94 LEU H H 94 8.000 7.948 0.052 1 1 1197 . 19 1 1 A 94 94 LEU HA H 94 4.360 3.935 0.425 1 1 1207 . 19 1 1 A 94 94 LEU C C 94 177.350 177.803 -0.453 1 1 1208 . 19 1 1 A 94 94 LEU CA C 94 54.765 56.404 -1.639 1 1 1209 . 19 1 1 A 94 94 LEU CB C 94 42.796 42.230 0.566 1 1 1213 . 19 1 1 A 94 94 LEU N N 94 115.600 118.964 -3.364 1 1 1214 . 19 1 1 A 95 95 GLY H H 95 7.601 8.799 -1.198 1 1 1215 . 19 1 1 A 95 95 GLY HA2 H 95 3.830 3.856 -0.026 1 1 1216 . 19 1 1 A 95 95 GLY HA3 H 95 3.950 3.891 0.059 1 1 1217 . 19 1 1 A 95 95 GLY C C 95 174.790 175.135 -0.345 1 1 1218 . 19 1 1 A 95 95 GLY CA C 95 46.550 46.941 -0.391 1 1 1219 . 19 1 1 A 95 95 GLY N N 95 108.540 114.397 -5.857 1 1 1220 . 19 1 1 A 96 96 VAL H H 96 7.957 8.017 -0.060 1 1 1221 . 19 1 1 A 96 96 VAL HA H 96 3.940 3.883 0.057 1 1 1229 . 19 1 1 A 96 96 VAL C C 96 175.540 175.717 -0.177 1 1 1230 . 19 1 1 A 96 96 VAL CA C 96 62.314 63.150 -0.836 1 1 1231 . 19 1 1 A 96 96 VAL CB C 96 32.155 31.911 0.244 1 1 1234 . 19 1 1 A 96 96 VAL N N 96 119.490 119.403 0.087 1 1 1235 . 19 1 1 A 97 97 LYS H H 97 8.293 8.865 -0.572 1 1 1236 . 19 1 1 A 97 97 LYS HA H 97 4.210 4.507 -0.297 1 1 1245 . 19 1 1 A 97 97 LYS C C 97 176.290 175.503 0.787 1 1 1246 . 19 1 1 A 97 97 LYS CA C 97 56.174 57.672 -1.498 1 1 1247 . 19 1 1 A 97 97 LYS CB C 97 33.200 35.284 -2.084 1 1 1251 . 19 1 1 A 97 97 LYS N N 97 126.120 127.065 -0.945 1 1 1252 . 19 1 1 A 98 98 LEU H H 98 8.315 8.113 0.202 1 1 1253 . 19 1 1 A 98 98 LEU HA H 98 4.240 4.522 -0.282 1 1 1263 . 19 1 1 A 98 98 LEU C C 98 176.930 176.828 0.102 1 1 1264 . 19 1 1 A 98 98 LEU CA C 98 54.800 54.004 0.796 1 1 1265 . 19 1 1 A 98 98 LEU CB C 98 42.217 42.460 -0.243 1 1 1269 . 19 1 1 A 98 98 LEU N N 98 124.170 119.827 4.343 1 1 1270 . 19 1 1 A 99 99 GLU H H 99 8.375 8.743 -0.368 1 1 1271 . 19 1 1 A 99 99 GLU HA H 99 4.175 3.822 0.353 1 1 1276 . 19 1 1 A 99 99 GLU C C 99 176.035 176.288 -0.253 1 1 1277 . 19 1 1 A 99 99 GLU CA C 99 56.352 59.266 -2.914 1 1 1278 . 19 1 1 A 99 99 GLU CB C 99 30.460 29.537 0.923 1 1 1280 . 19 1 1 A 99 99 GLU N N 99 122.010 127.120 -5.110 1 1 1281 . 19 1 1 A 100 100 HIS H H 100 8.350 7.873 0.477 1 1 1282 . 19 1 1 A 100 100 HIS HA H 100 4.565 3.979 0.586 1 1 1285 . 19 1 1 A 100 100 HIS C C 100 173.880 173.798 0.082 1 1 1286 . 19 1 1 A 100 100 HIS CA C 100 56.050 56.198 -0.148 1 1 1287 . 19 1 1 A 100 100 HIS CB C 100 30.144 27.482 2.662 1 1 1288 . 19 1 1 A 100 100 HIS N N 100 120.245 116.658 3.587 1 1 1289 . 19 1 1 A 101 101 HIS H H 101 8.134 7.871 0.263 1 1 1290 . 19 1 1 A 101 101 HIS HA H 101 4.410 4.711 -0.301 1 1 1293 . 19 1 1 A 101 101 HIS CA C 101 57.290 55.244 2.046 1 1 1294 . 19 1 1 A 101 101 HIS CB C 101 31.450 30.131 1.319 1 1 1 . 20 1 1 A 2 2 ASP HA H 2 4.670 4.857 -0.187 1 1 4 . 20 1 1 A 2 2 ASP C C 2 176.480 177.163 -0.683 1 1 5 . 20 1 1 A 2 2 ASP CA C 2 53.400 53.162 0.238 1 1 6 . 20 1 1 A 2 2 ASP CB C 2 41.170 38.780 2.390 1 1 7 . 20 1 1 A 3 3 LEU H H 3 8.650 7.984 0.666 1 1 8 . 20 1 1 A 3 3 LEU HA H 3 4.116 3.998 0.118 1 1 18 . 20 1 1 A 3 3 LEU C C 3 177.880 177.979 -0.099 1 1 19 . 20 1 1 A 3 3 LEU CA C 3 56.390 57.731 -1.341 1 1 20 . 20 1 1 A 3 3 LEU CB C 3 41.660 41.311 0.349 1 1 24 . 20 1 1 A 3 3 LEU N N 3 125.300 122.345 2.955 1 1 25 . 20 1 1 A 4 4 ASN H H 4 8.370 8.166 0.204 1 1 26 . 20 1 1 A 4 4 ASN HA H 4 4.490 4.537 -0.047 1 1 31 . 20 1 1 A 4 4 ASN C C 4 175.050 175.814 -0.764 1 1 32 . 20 1 1 A 4 4 ASN CA C 4 54.320 55.388 -1.068 1 1 33 . 20 1 1 A 4 4 ASN CB C 4 38.240 38.780 -0.540 1 1 34 . 20 1 1 A 4 4 ASN N N 4 116.550 118.140 -1.590 1 1 36 . 20 1 1 A 5 5 ARG H H 5 7.645 7.730 -0.085 1 1 37 . 20 1 1 A 5 5 ARG HA H 5 3.920 4.411 -0.491 1 1 45 . 20 1 1 A 5 5 ARG C C 5 176.030 176.953 -0.923 1 1 46 . 20 1 1 A 5 5 ARG CA C 5 56.180 57.205 -1.025 1 1 47 . 20 1 1 A 5 5 ARG CB C 5 31.570 31.896 -0.326 1 1 50 . 20 1 1 A 5 5 ARG N N 5 118.590 117.032 1.558 1 1 52 . 20 1 1 A 6 6 MET H H 6 7.809 8.386 -0.577 1 1 53 . 20 1 1 A 6 6 MET HA H 6 4.355 4.513 -0.158 1 1 58 . 20 1 1 A 6 6 MET C C 6 176.940 174.784 2.156 1 1 59 . 20 1 1 A 6 6 MET CA C 6 56.290 57.455 -1.165 1 1 60 . 20 1 1 A 6 6 MET CB C 6 33.020 31.378 1.642 1 1 62 . 20 1 1 A 6 6 MET N N 6 120.180 117.148 3.032 1 1 63 . 20 1 1 A 7 7 GLY H H 7 8.906 8.403 0.503 1 1 64 . 20 1 1 A 7 7 GLY HA2 H 7 3.870 4.176 -0.306 1 1 65 . 20 1 1 A 7 7 GLY HA3 H 7 3.950 4.178 -0.228 1 1 66 . 20 1 1 A 7 7 GLY C C 7 174.280 172.248 2.032 1 1 67 . 20 1 1 A 7 7 GLY CA C 7 46.110 45.514 0.596 1 1 68 . 20 1 1 A 7 7 GLY N N 7 112.660 108.345 4.315 1 1 69 . 20 1 1 A 8 8 LYS H H 8 7.819 8.738 -0.919 1 1 70 . 20 1 1 A 8 8 LYS HA H 8 4.550 4.788 -0.238 1 1 79 . 20 1 1 A 8 8 LYS C C 8 176.060 175.083 0.977 1 1 80 . 20 1 1 A 8 8 LYS CA C 8 54.444 54.933 -0.489 1 1 81 . 20 1 1 A 8 8 LYS CB C 8 33.760 34.395 -0.635 1 1 85 . 20 1 1 A 8 8 LYS N N 8 119.130 125.189 -6.059 1 1 86 . 20 1 1 A 9 9 ASP H H 9 8.790 8.927 -0.137 1 1 87 . 20 1 1 A 9 9 ASP HA H 9 4.730 5.210 -0.480 1 1 90 . 20 1 1 A 9 9 ASP C C 9 174.530 175.268 -0.738 1 1 91 . 20 1 1 A 9 9 ASP CA C 9 54.560 52.588 1.972 1 1 92 . 20 1 1 A 9 9 ASP CB C 9 42.530 43.773 -1.243 1 1 93 . 20 1 1 A 9 9 ASP N N 9 121.550 125.742 -4.192 1 1 94 . 20 1 1 A 10 10 GLU H H 10 7.950 8.866 -0.916 1 1 95 . 20 1 1 A 10 10 GLU HA H 10 4.570 5.205 -0.635 1 1 100 . 20 1 1 A 10 10 GLU C C 10 174.080 174.058 0.022 1 1 101 . 20 1 1 A 10 10 GLU CA C 10 54.640 54.573 0.067 1 1 102 . 20 1 1 A 10 10 GLU CB C 10 31.380 32.372 -0.992 1 1 104 . 20 1 1 A 10 10 GLU N N 10 119.640 118.310 1.330 1 1 105 . 20 1 1 A 11 11 TYR H H 11 8.767 9.137 -0.370 1 1 106 . 20 1 1 A 11 11 TYR HA H 11 4.555 5.294 -0.739 1 1 113 . 20 1 1 A 11 11 TYR C C 11 173.480 174.760 -1.280 1 1 114 . 20 1 1 A 11 11 TYR CA C 11 56.360 56.209 0.151 1 1 115 . 20 1 1 A 11 11 TYR CB C 11 43.860 40.635 3.225 1 1 120 . 20 1 1 A 11 11 TYR N N 11 120.960 122.534 -1.574 1 1 121 . 20 1 1 A 12 12 TYR H H 12 9.290 9.073 0.217 1 1 122 . 20 1 1 A 12 12 TYR HA H 12 5.730 5.100 0.630 1 1 129 . 20 1 1 A 12 12 TYR C C 12 175.700 176.070 -0.370 1 1 130 . 20 1 1 A 12 12 TYR CA C 12 56.680 57.547 -0.867 1 1 131 . 20 1 1 A 12 12 TYR CB C 12 42.180 38.060 4.120 1 1 136 . 20 1 1 A 12 12 TYR N N 12 118.880 124.246 -5.366 1 1 137 . 20 1 1 A 13 13 VAL H H 13 8.670 8.741 -0.071 1 1 138 . 20 1 1 A 13 13 VAL HA H 13 5.050 5.098 -0.048 1 1 146 . 20 1 1 A 13 13 VAL C C 13 174.820 174.644 0.176 1 1 147 . 20 1 1 A 13 13 VAL CA C 13 58.130 59.122 -0.992 1 1 148 . 20 1 1 A 13 13 VAL CB C 13 35.890 35.262 0.628 1 1 151 . 20 1 1 A 13 13 VAL N N 13 112.280 118.461 -6.181 1 1 152 . 20 1 1 A 14 14 GLN H H 14 8.760 8.371 0.389 1 1 153 . 20 1 1 A 14 14 GLN HA H 14 5.090 4.588 0.502 1 1 160 . 20 1 1 A 14 14 GLN C C 14 175.000 175.314 -0.314 1 1 161 . 20 1 1 A 14 14 GLN CA C 14 53.520 54.383 -0.863 1 1 162 . 20 1 1 A 14 14 GLN CB C 14 31.250 29.395 1.855 1 1 164 . 20 1 1 A 14 14 GLN N N 14 120.910 120.833 0.077 1 1 166 . 20 1 1 A 15 15 ILE H H 15 8.843 8.974 -0.131 1 1 167 . 20 1 1 A 15 15 ILE HA H 15 3.900 4.123 -0.223 1 1 177 . 20 1 1 A 15 15 ILE C C 15 177.090 177.134 -0.044 1 1 178 . 20 1 1 A 15 15 ILE CA C 15 59.269 61.447 -2.178 1 1 179 . 20 1 1 A 15 15 ILE CB C 15 34.050 36.666 -2.616 1 1 183 . 20 1 1 A 15 15 ILE N N 15 125.520 124.476 1.044 1 1 184 . 20 1 1 A 16 16 THR H H 16 7.996 8.050 -0.054 1 1 185 . 20 1 1 A 16 16 THR HA H 16 4.540 4.303 0.237 1 1 190 . 20 1 1 A 16 16 THR C C 16 173.650 175.173 -1.523 1 1 191 . 20 1 1 A 16 16 THR CA C 16 61.180 63.886 -2.706 1 1 192 . 20 1 1 A 16 16 THR CB C 16 69.300 69.087 0.213 1 1 194 . 20 1 1 A 16 16 THR N N 16 118.080 119.195 -1.115 1 1 195 . 20 1 1 A 17 17 VAL H H 17 7.240 7.565 -0.325 1 1 196 . 20 1 1 A 17 17 VAL HA H 17 4.659 4.304 0.355 1 1 204 . 20 1 1 A 17 17 VAL C C 17 175.135 175.183 -0.048 1 1 205 . 20 1 1 A 17 17 VAL CA C 17 58.870 61.367 -2.497 1 1 206 . 20 1 1 A 17 17 VAL CB C 17 36.070 33.165 2.905 1 1 209 . 20 1 1 A 17 17 VAL N N 17 113.230 119.167 -5.937 1 1 210 . 20 1 1 A 18 18 ASP H H 18 8.280 8.567 -0.287 1 1 211 . 20 1 1 A 18 18 ASP HA H 18 5.010 5.511 -0.501 1 1 214 . 20 1 1 A 18 18 ASP C C 18 177.350 175.630 1.720 1 1 215 . 20 1 1 A 18 18 ASP CA C 18 54.765 52.339 2.426 1 1 216 . 20 1 1 A 18 18 ASP CB C 18 42.120 44.659 -2.539 1 1 217 . 20 1 1 A 18 18 ASP N N 18 120.730 123.079 -2.349 1 1 218 . 20 1 1 A 19 19 GLY H H 19 8.951 8.669 0.282 1 1 219 . 20 1 1 A 19 19 GLY HA2 H 19 2.920 3.952 -1.032 1 1 220 . 20 1 1 A 19 19 GLY HA3 H 19 2.978 4.084 -1.106 1 1 221 . 20 1 1 A 19 19 GLY C C 19 172.450 173.783 -1.333 1 1 222 . 20 1 1 A 19 19 GLY CA C 19 45.370 46.114 -0.744 1 1 223 . 20 1 1 A 19 19 GLY N N 19 110.580 110.528 0.052 1 1 224 . 20 1 1 A 20 20 LYS H H 20 8.110 7.761 0.349 1 1 225 . 20 1 1 A 20 20 LYS HA H 20 4.374 4.280 0.094 1 1 234 . 20 1 1 A 20 20 LYS C C 20 175.710 175.401 0.309 1 1 235 . 20 1 1 A 20 20 LYS CA C 20 54.800 55.730 -0.930 1 1 236 . 20 1 1 A 20 20 LYS CB C 20 33.240 33.270 -0.030 1 1 240 . 20 1 1 A 20 20 LYS N N 20 124.290 122.371 1.919 1 1 241 . 20 1 1 A 21 21 GLU H H 21 8.710 8.897 -0.187 1 1 242 . 20 1 1 A 21 21 GLU HA H 21 3.930 4.840 -0.910 1 1 247 . 20 1 1 A 21 21 GLU C C 21 175.960 175.640 0.320 1 1 248 . 20 1 1 A 21 21 GLU CA C 21 56.940 54.031 2.909 1 1 249 . 20 1 1 A 21 21 GLU CB C 21 30.439 33.061 -2.622 1 1 251 . 20 1 1 A 21 21 GLU N N 21 128.720 123.827 4.893 1 1 252 . 20 1 1 A 22 22 VAL H H 22 8.621 8.496 0.125 1 1 253 . 20 1 1 A 22 22 VAL HA H 22 4.160 4.270 -0.110 1 1 261 . 20 1 1 A 22 22 VAL C C 22 175.210 176.451 -1.241 1 1 262 . 20 1 1 A 22 22 VAL CA C 22 61.027 61.068 -0.041 1 1 263 . 20 1 1 A 22 22 VAL CB C 22 34.501 31.036 3.465 1 1 266 . 20 1 1 A 22 22 VAL N N 22 125.340 117.429 7.911 1 1 267 . 20 1 1 A 23 23 HIS H H 23 8.607 7.796 0.811 1 1 268 . 20 1 1 A 23 23 HIS HA H 23 4.820 4.057 0.763 1 1 273 . 20 1 1 A 23 23 HIS C C 23 175.040 175.997 -0.957 1 1 274 . 20 1 1 A 23 23 HIS CA C 23 55.498 59.600 -4.102 1 1 275 . 20 1 1 A 23 23 HIS CB C 23 30.660 30.060 0.600 1 1 278 . 20 1 1 A 23 23 HIS N N 23 124.000 122.231 1.769 1 1 279 . 20 1 1 A 24 24 SER H H 24 8.480 8.000 0.480 1 1 280 . 20 1 1 A 24 24 SER HA H 24 4.480 4.628 -0.148 1 1 283 . 20 1 1 A 24 24 SER C C 24 173.860 175.268 -1.408 1 1 284 . 20 1 1 A 24 24 SER CA C 24 57.690 57.328 0.362 1 1 285 . 20 1 1 A 24 24 SER CB C 24 64.580 64.995 -0.415 1 1 286 . 20 1 1 A 24 24 SER N N 24 118.250 113.095 5.155 1 1 287 . 20 1 1 A 25 25 LYS H H 25 8.517 7.813 0.704 1 1 288 . 20 1 1 A 25 25 LYS HA H 25 4.561 4.465 0.096 1 1 297 . 20 1 1 A 25 25 LYS C C 25 176.160 176.822 -0.662 1 1 298 . 20 1 1 A 25 25 LYS CA C 25 56.255 55.945 0.310 1 1 299 . 20 1 1 A 25 25 LYS CB C 25 33.714 32.877 0.837 1 1 303 . 20 1 1 A 25 25 LYS N N 25 122.750 120.905 1.845 1 1 304 . 20 1 1 A 26 26 ALA H H 26 8.468 7.878 0.590 1 1 305 . 20 1 1 A 26 26 ALA HA H 26 4.470 4.107 0.363 1 1 309 . 20 1 1 A 26 26 ALA C C 26 177.950 177.661 0.289 1 1 310 . 20 1 1 A 26 26 ALA CA C 26 51.912 54.671 -2.759 1 1 311 . 20 1 1 A 26 26 ALA CB C 26 20.050 19.036 1.014 1 1 312 . 20 1 1 A 26 26 ALA N N 26 125.370 122.243 3.127 1 1 313 . 20 1 1 A 27 27 ASP H H 27 8.509 7.883 0.626 1 1 314 . 20 1 1 A 27 27 ASP HA H 27 4.460 4.791 -0.331 1 1 317 . 20 1 1 A 27 27 ASP C C 27 176.480 175.023 1.457 1 1 318 . 20 1 1 A 27 27 ASP CA C 27 55.490 53.824 1.666 1 1 319 . 20 1 1 A 27 27 ASP CB C 27 40.771 41.489 -0.718 1 1 320 . 20 1 1 A 27 27 ASP N N 27 120.380 115.469 4.911 1 1 321 . 20 1 1 A 28 28 ASN H H 28 8.193 8.989 -0.796 1 1 322 . 20 1 1 A 28 28 ASN HA H 28 4.620 4.273 0.347 1 1 327 . 20 1 1 A 28 28 ASN C C 28 176.310 175.187 1.123 1 1 328 . 20 1 1 A 28 28 ASN CA C 28 53.050 54.588 -1.538 1 1 329 . 20 1 1 A 28 28 ASN CB C 28 38.080 37.098 0.982 1 1 330 . 20 1 1 A 28 28 ASN N N 28 117.470 124.252 -6.782 1 1 332 . 20 1 1 A 29 29 GLY H H 29 8.359 7.853 0.506 1 1 333 . 20 1 1 A 29 29 GLY HA2 H 29 4.110 4.120 -0.010 1 1 334 . 20 1 1 A 29 29 GLY HA3 H 29 3.720 4.173 -0.453 1 1 335 . 20 1 1 A 29 29 GLY C C 29 174.365 173.550 0.815 1 1 336 . 20 1 1 A 29 29 GLY CA C 29 45.688 45.785 -0.097 1 1 337 . 20 1 1 A 29 29 GLY N N 29 108.230 105.539 2.691 1 1 338 . 20 1 1 A 30 30 GLN H H 30 7.920 7.890 0.030 1 1 339 . 20 1 1 A 30 30 GLN HA H 30 4.200 3.968 0.232 1 1 346 . 20 1 1 A 30 30 GLN C C 30 174.330 175.370 -1.040 1 1 347 . 20 1 1 A 30 30 GLN CA C 30 56.210 55.262 0.948 1 1 348 . 20 1 1 A 30 30 GLN CB C 30 29.320 27.424 1.896 1 1 350 . 20 1 1 A 30 30 GLN N N 30 119.670 119.276 0.394 1 1 352 . 20 1 1 A 31 31 LYS H H 31 8.390 8.702 -0.312 1 1 353 . 20 1 1 A 31 31 LYS HA H 31 4.490 4.501 -0.011 1 1 362 . 20 1 1 A 31 31 LYS C C 31 176.052 175.520 0.532 1 1 363 . 20 1 1 A 31 31 LYS CA C 31 56.417 56.868 -0.451 1 1 364 . 20 1 1 A 31 31 LYS CB C 31 33.414 34.975 -1.561 1 1 368 . 20 1 1 A 31 31 LYS N N 31 121.950 124.838 -2.888 1 1 369 . 20 1 1 A 32 32 TYR H H 32 8.160 7.257 0.903 1 1 370 . 20 1 1 A 32 32 TYR HA H 32 4.770 4.980 -0.210 1 1 377 . 20 1 1 A 32 32 TYR C C 32 175.560 173.954 1.606 1 1 378 . 20 1 1 A 32 32 TYR CA C 32 56.300 55.610 0.690 1 1 379 . 20 1 1 A 32 32 TYR CB C 32 40.074 40.645 -0.571 1 1 384 . 20 1 1 A 32 32 TYR N N 32 119.960 116.419 3.541 1 1 385 . 20 1 1 A 33 33 LYS H H 33 8.397 8.727 -0.330 1 1 386 . 20 1 1 A 33 33 LYS HA H 33 4.610 4.301 0.309 1 1 395 . 20 1 1 A 33 33 LYS C C 33 174.080 174.818 -0.738 1 1 396 . 20 1 1 A 33 33 LYS CA C 33 55.512 55.440 0.072 1 1 397 . 20 1 1 A 33 33 LYS CB C 33 34.570 31.016 3.554 1 1 401 . 20 1 1 A 33 33 LYS N N 33 122.080 125.347 -3.267 1 1 402 . 20 1 1 A 34 34 ASP H H 34 8.140 8.103 0.037 1 1 403 . 20 1 1 A 34 34 ASP HA H 34 5.040 4.922 0.118 1 1 406 . 20 1 1 A 34 34 ASP C C 34 173.740 175.706 -1.966 1 1 407 . 20 1 1 A 34 34 ASP CA C 34 53.104 53.608 -0.504 1 1 408 . 20 1 1 A 34 34 ASP CB C 34 44.290 42.192 2.098 1 1 409 . 20 1 1 A 34 34 ASP N N 34 121.430 123.556 -2.126 1 1 410 . 20 1 1 A 35 35 TYR H H 35 8.849 8.775 0.074 1 1 411 . 20 1 1 A 35 35 TYR HA H 35 4.660 5.003 -0.343 1 1 418 . 20 1 1 A 35 35 TYR C C 35 174.450 175.207 -0.757 1 1 419 . 20 1 1 A 35 35 TYR CA C 35 57.177 57.675 -0.498 1 1 420 . 20 1 1 A 35 35 TYR CB C 35 40.955 40.307 0.648 1 1 425 . 20 1 1 A 35 35 TYR N N 35 116.670 119.808 -3.138 1 1 426 . 20 1 1 A 36 36 GLU H H 36 9.144 8.877 0.267 1 1 427 . 20 1 1 A 36 36 GLU HA H 36 4.615 4.850 -0.235 1 1 432 . 20 1 1 A 36 36 GLU C C 36 175.850 173.455 2.395 1 1 433 . 20 1 1 A 36 36 GLU CA C 36 55.700 55.836 -0.136 1 1 434 . 20 1 1 A 36 36 GLU CB C 36 32.541 33.234 -0.693 1 1 436 . 20 1 1 A 36 36 GLU N N 36 122.490 121.080 1.410 1 1 437 . 20 1 1 A 37 37 TYR H H 37 8.598 8.631 -0.033 1 1 438 . 20 1 1 A 37 37 TYR HA H 37 4.090 4.827 -0.737 1 1 445 . 20 1 1 A 37 37 TYR C C 37 174.140 173.807 0.333 1 1 446 . 20 1 1 A 37 37 TYR CA C 37 58.399 56.051 2.348 1 1 447 . 20 1 1 A 37 37 TYR CB C 37 41.690 39.573 2.117 1 1 452 . 20 1 1 A 37 37 TYR N N 37 122.480 124.616 -2.136 1 1 453 . 20 1 1 A 38 38 LYS H H 38 8.410 8.854 -0.444 1 1 454 . 20 1 1 A 38 38 LYS HA H 38 5.080 4.930 0.150 1 1 463 . 20 1 1 A 38 38 LYS C C 38 174.980 175.989 -1.009 1 1 464 . 20 1 1 A 38 38 LYS CA C 38 56.133 55.477 0.656 1 1 465 . 20 1 1 A 38 38 LYS CB C 38 33.525 33.822 -0.297 1 1 469 . 20 1 1 A 38 38 LYS N N 38 124.250 126.344 -2.094 1 1 470 . 20 1 1 A 39 39 LEU H H 39 8.555 9.001 -0.446 1 1 471 . 20 1 1 A 39 39 LEU HA H 39 4.865 4.840 0.025 1 1 480 . 20 1 1 A 39 39 LEU C C 39 175.120 175.169 -0.049 1 1 481 . 20 1 1 A 39 39 LEU CA C 39 53.316 53.545 -0.229 1 1 482 . 20 1 1 A 39 39 LEU CB C 39 47.338 45.396 1.942 1 1 485 . 20 1 1 A 39 39 LEU N N 39 124.840 121.678 3.162 1 1 486 . 20 1 1 A 40 40 THR H H 40 8.615 8.616 -0.001 1 1 487 . 20 1 1 A 40 40 THR HA H 40 4.410 4.279 0.131 1 1 492 . 20 1 1 A 40 40 THR C C 40 173.360 174.423 -1.063 1 1 493 . 20 1 1 A 40 40 THR CA C 40 63.200 61.797 1.403 1 1 494 . 20 1 1 A 40 40 THR CB C 40 69.100 68.802 0.298 1 1 496 . 20 1 1 A 40 40 THR N N 40 118.390 116.653 1.737 1 1 497 . 20 1 1 A 41 41 GLY H H 41 8.545 8.717 -0.172 1 1 498 . 20 1 1 A 41 41 GLY HA2 H 41 3.030 3.506 -0.476 1 1 499 . 20 1 1 A 41 41 GLY HA3 H 41 4.910 3.819 1.091 1 1 500 . 20 1 1 A 41 41 GLY C C 41 171.375 172.208 -0.833 1 1 501 . 20 1 1 A 41 41 GLY CA C 41 43.963 44.851 -0.888 1 1 502 . 20 1 1 A 41 41 GLY N N 41 113.500 113.301 0.199 1 1 503 . 20 1 1 A 42 42 PHE H H 42 8.650 8.624 0.026 1 1 504 . 20 1 1 A 42 42 PHE HA H 42 5.910 5.257 0.653 1 1 512 . 20 1 1 A 42 42 PHE C C 42 176.670 175.005 1.665 1 1 513 . 20 1 1 A 42 42 PHE CA C 42 56.260 56.859 -0.599 1 1 514 . 20 1 1 A 42 42 PHE CB C 42 44.750 41.898 2.852 1 1 520 . 20 1 1 A 42 42 PHE N N 42 113.300 121.096 -7.796 1 1 521 . 20 1 1 A 43 43 ASP H H 43 9.040 8.633 0.407 1 1 522 . 20 1 1 A 43 43 ASP HA H 43 5.100 4.833 0.267 1 1 525 . 20 1 1 A 43 43 ASP C C 43 177.790 177.474 0.316 1 1 526 . 20 1 1 A 43 43 ASP CA C 43 51.990 54.507 -2.517 1 1 527 . 20 1 1 A 43 43 ASP CB C 43 41.660 42.624 -0.964 1 1 528 . 20 1 1 A 43 43 ASP N N 43 123.450 124.641 -1.191 1 1 529 . 20 1 1 A 44 44 LYS H H 44 8.689 9.039 -0.350 1 1 530 . 20 1 1 A 44 44 LYS HA H 44 3.920 4.114 -0.194 1 1 539 . 20 1 1 A 44 44 LYS C C 44 175.450 177.378 -1.928 1 1 540 . 20 1 1 A 44 44 LYS CA C 44 58.730 58.813 -0.083 1 1 541 . 20 1 1 A 44 44 LYS CB C 44 31.707 31.936 -0.229 1 1 545 . 20 1 1 A 44 44 LYS N N 44 113.360 123.130 -9.770 1 1 546 . 20 1 1 A 45 45 ASP H H 45 8.178 7.818 0.360 1 1 547 . 20 1 1 A 45 45 ASP HA H 45 4.930 4.763 0.167 1 1 550 . 20 1 1 A 45 45 ASP C C 45 176.710 176.426 0.284 1 1 551 . 20 1 1 A 45 45 ASP CA C 45 54.501 53.986 0.515 1 1 552 . 20 1 1 A 45 45 ASP CB C 45 42.260 41.330 0.930 1 1 553 . 20 1 1 A 45 45 ASP N N 45 119.050 119.398 -0.348 1 1 554 . 20 1 1 A 46 46 GLY H H 46 8.853 8.663 0.190 1 1 555 . 20 1 1 A 46 46 GLY HA2 H 46 4.120 3.966 0.154 1 1 556 . 20 1 1 A 46 46 GLY HA3 H 46 3.350 3.993 -0.643 1 1 557 . 20 1 1 A 46 46 GLY C C 46 173.020 174.122 -1.102 1 1 558 . 20 1 1 A 46 46 GLY CA C 46 45.510 46.449 -0.939 1 1 559 . 20 1 1 A 46 46 GLY N N 46 110.250 108.360 1.890 1 1 560 . 20 1 1 A 47 47 LYS H H 47 8.640 7.909 0.731 1 1 561 . 20 1 1 A 47 47 LYS HA H 47 4.320 4.937 -0.617 1 1 570 . 20 1 1 A 47 47 LYS C C 47 176.180 175.454 0.726 1 1 571 . 20 1 1 A 47 47 LYS CA C 47 57.200 54.371 2.829 1 1 572 . 20 1 1 A 47 47 LYS CB C 47 32.300 35.717 -3.417 1 1 576 . 20 1 1 A 47 47 LYS N N 47 123.450 118.730 4.720 1 1 577 . 20 1 1 A 48 48 GLU H H 48 8.510 8.810 -0.300 1 1 578 . 20 1 1 A 48 48 GLU HA H 48 4.914 5.060 -0.146 1 1 583 . 20 1 1 A 48 48 GLU C C 48 176.545 174.985 1.560 1 1 584 . 20 1 1 A 48 48 GLU CA C 48 55.540 54.703 0.837 1 1 585 . 20 1 1 A 48 48 GLU CB C 48 32.850 33.263 -0.413 1 1 587 . 20 1 1 A 48 48 GLU N N 48 123.300 118.010 5.290 1 1 588 . 20 1 1 A 49 49 LYS H H 49 8.304 8.258 0.046 1 1 589 . 20 1 1 A 49 49 LYS HA H 49 4.080 4.473 -0.393 1 1 598 . 20 1 1 A 49 49 LYS C C 49 173.870 174.283 -0.413 1 1 599 . 20 1 1 A 49 49 LYS CA C 49 54.797 55.849 -1.052 1 1 600 . 20 1 1 A 49 49 LYS CB C 49 36.248 33.879 2.369 1 1 604 . 20 1 1 A 49 49 LYS N N 49 123.450 120.133 3.317 1 1 605 . 20 1 1 A 50 50 GLU H H 50 8.377 8.941 -0.564 1 1 606 . 20 1 1 A 50 50 GLU HA H 50 4.298 4.499 -0.201 1 1 611 . 20 1 1 A 50 50 GLU C C 50 175.090 176.075 -0.985 1 1 612 . 20 1 1 A 50 50 GLU CA C 50 56.950 55.868 1.082 1 1 613 . 20 1 1 A 50 50 GLU CB C 50 29.872 30.206 -0.334 1 1 615 . 20 1 1 A 50 50 GLU N N 50 127.100 128.074 -0.974 1 1 616 . 20 1 1 A 51 51 LEU H H 51 8.934 8.781 0.153 1 1 617 . 20 1 1 A 51 51 LEU HA H 51 4.517 5.272 -0.755 1 1 627 . 20 1 1 A 51 51 LEU C C 51 174.890 175.024 -0.134 1 1 628 . 20 1 1 A 51 51 LEU CA C 51 53.817 53.007 0.810 1 1 629 . 20 1 1 A 51 51 LEU CB C 51 45.254 46.440 -1.186 1 1 633 . 20 1 1 A 51 51 LEU N N 51 127.790 121.896 5.894 1 1 634 . 20 1 1 A 52 52 GLU H H 52 8.360 8.925 -0.565 1 1 635 . 20 1 1 A 52 52 GLU HA H 52 5.417 5.230 0.187 1 1 640 . 20 1 1 A 52 52 GLU C C 52 174.890 175.091 -0.201 1 1 641 . 20 1 1 A 52 52 GLU CA C 52 54.519 54.582 -0.063 1 1 642 . 20 1 1 A 52 52 GLU CB C 52 32.500 34.041 -1.541 1 1 644 . 20 1 1 A 52 52 GLU N N 52 121.180 116.699 4.481 1 1 645 . 20 1 1 A 53 53 PHE H H 53 8.465 8.499 -0.034 1 1 646 . 20 1 1 A 53 53 PHE HA H 53 5.130 5.744 -0.614 1 1 654 . 20 1 1 A 53 53 PHE C C 53 172.660 172.854 -0.194 1 1 655 . 20 1 1 A 53 53 PHE CA C 53 56.508 55.780 0.728 1 1 656 . 20 1 1 A 53 53 PHE CB C 53 40.095 42.661 -2.566 1 1 662 . 20 1 1 A 53 53 PHE N N 53 118.940 117.062 1.878 1 1 663 . 20 1 1 A 54 54 THR H H 54 8.622 9.057 -0.435 1 1 664 . 20 1 1 A 54 54 THR HA H 54 5.530 5.393 0.137 1 1 669 . 20 1 1 A 54 54 THR C C 54 173.470 174.272 -0.802 1 1 670 . 20 1 1 A 54 54 THR CA C 54 60.148 59.794 0.354 1 1 671 . 20 1 1 A 54 54 THR CB C 54 71.820 70.932 0.888 1 1 673 . 20 1 1 A 54 54 THR N N 54 112.280 111.783 0.497 1 1 674 . 20 1 1 A 55 55 ALA H H 55 9.710 8.960 0.750 1 1 675 . 20 1 1 A 55 55 ALA HA H 55 5.354 5.102 0.252 1 1 679 . 20 1 1 A 55 55 ALA C C 55 176.720 178.216 -1.496 1 1 680 . 20 1 1 A 55 55 ALA CA C 55 50.568 50.229 0.339 1 1 681 . 20 1 1 A 55 55 ALA CB C 55 24.180 23.405 0.775 1 1 682 . 20 1 1 A 55 55 ALA N N 55 126.340 124.113 2.227 1 1 683 . 20 1 1 A 56 56 GLN H H 56 9.130 9.122 0.008 1 1 684 . 20 1 1 A 56 56 GLN HA H 56 5.030 4.465 0.565 1 1 691 . 20 1 1 A 56 56 GLN C C 56 174.960 175.316 -0.356 1 1 692 . 20 1 1 A 56 56 GLN CA C 56 56.820 57.337 -0.517 1 1 693 . 20 1 1 A 56 56 GLN CB C 56 29.180 29.835 -0.655 1 1 695 . 20 1 1 A 56 56 GLN N N 56 118.540 118.981 -0.441 1 1 697 . 20 1 1 A 57 57 LYS H H 57 7.656 7.869 -0.213 1 1 698 . 20 1 1 A 57 57 LYS HA H 57 4.360 4.566 -0.206 1 1 707 . 20 1 1 A 57 57 LYS C C 57 172.490 175.258 -2.768 1 1 708 . 20 1 1 A 57 57 LYS CA C 57 54.351 54.314 0.037 1 1 709 . 20 1 1 A 57 57 LYS CB C 57 35.360 36.770 -1.410 1 1 713 . 20 1 1 A 57 57 LYS N N 57 116.270 117.337 -1.067 1 1 714 . 20 1 1 A 58 58 ASN H H 58 7.709 8.090 -0.381 1 1 715 . 20 1 1 A 58 58 ASN HA H 58 4.000 4.801 -0.801 1 1 720 . 20 1 1 A 58 58 ASN C C 58 175.490 175.009 0.481 1 1 721 . 20 1 1 A 58 58 ASN CA C 58 53.498 53.577 -0.079 1 1 722 . 20 1 1 A 58 58 ASN CB C 58 38.538 38.953 -0.415 1 1 723 . 20 1 1 A 58 58 ASN N N 58 117.960 119.873 -1.913 1 1 725 . 20 1 1 A 59 59 LEU H H 59 7.940 8.467 -0.527 1 1 726 . 20 1 1 A 59 59 LEU HA H 59 3.950 4.664 -0.714 1 1 736 . 20 1 1 A 59 59 LEU C C 59 176.410 176.397 0.013 1 1 737 . 20 1 1 A 59 59 LEU CA C 59 54.550 53.268 1.282 1 1 738 . 20 1 1 A 59 59 LEU CB C 59 42.370 43.120 -0.750 1 1 742 . 20 1 1 A 59 59 LEU N N 59 128.190 121.722 6.468 1 1 743 . 20 1 1 A 60 60 ARG H H 60 8.355 7.929 0.426 1 1 744 . 20 1 1 A 60 60 ARG HA H 60 3.870 4.590 -0.720 1 1 752 . 20 1 1 A 60 60 ARG C C 60 175.350 176.550 -1.200 1 1 753 . 20 1 1 A 60 60 ARG CA C 60 56.695 55.809 0.886 1 1 754 . 20 1 1 A 60 60 ARG CB C 60 31.290 30.795 0.495 1 1 757 . 20 1 1 A 60 60 ARG N N 60 123.759 119.101 4.658 1 1 759 . 20 1 1 A 61 61 LYS H H 61 8.178 8.585 -0.407 1 1 760 . 20 1 1 A 61 61 LYS HA H 61 3.680 4.316 -0.636 1 1 769 . 20 1 1 A 61 61 LYS C C 61 177.290 176.280 1.010 1 1 770 . 20 1 1 A 61 61 LYS CA C 61 58.733 56.024 2.709 1 1 771 . 20 1 1 A 61 61 LYS CB C 61 31.564 33.184 -1.620 1 1 775 . 20 1 1 A 61 61 LYS N N 61 125.600 125.284 0.316 1 1 776 . 20 1 1 A 62 62 GLU H H 62 8.949 9.281 -0.332 1 1 777 . 20 1 1 A 62 62 GLU HA H 62 3.340 3.943 -0.603 1 1 782 . 20 1 1 A 62 62 GLU C C 62 176.170 175.196 0.974 1 1 783 . 20 1 1 A 62 62 GLU CA C 62 59.156 57.969 1.187 1 1 784 . 20 1 1 A 62 62 GLU CB C 62 28.040 29.316 -1.276 1 1 786 . 20 1 1 A 62 62 GLU N N 62 112.860 119.762 -6.902 1 1 787 . 20 1 1 A 63 63 ALA H H 63 7.604 7.789 -0.185 1 1 788 . 20 1 1 A 63 63 ALA HA H 63 4.020 4.734 -0.714 1 1 792 . 20 1 1 A 63 63 ALA C C 63 175.530 177.267 -1.737 1 1 793 . 20 1 1 A 63 63 ALA CA C 63 53.074 50.971 2.103 1 1 794 . 20 1 1 A 63 63 ALA CB C 63 19.323 20.972 -1.649 1 1 795 . 20 1 1 A 63 63 ALA N N 63 122.700 122.606 0.094 1 1 796 . 20 1 1 A 64 64 PHE H H 64 8.876 8.609 0.267 1 1 797 . 20 1 1 A 64 64 PHE HA H 64 5.470 5.220 0.250 1 1 802 . 20 1 1 A 64 64 PHE C C 64 175.480 175.152 0.328 1 1 803 . 20 1 1 A 64 64 PHE CA C 64 56.780 57.717 -0.937 1 1 804 . 20 1 1 A 64 64 PHE CB C 64 41.566 40.699 0.867 1 1 807 . 20 1 1 A 64 64 PHE N N 64 118.670 119.671 -1.001 1 1 808 . 20 1 1 A 65 65 LEU H H 65 8.870 8.982 -0.112 1 1 809 . 20 1 1 A 65 65 LEU HA H 65 5.390 5.005 0.385 1 1 819 . 20 1 1 A 65 65 LEU C C 65 176.030 174.539 1.491 1 1 820 . 20 1 1 A 65 65 LEU CA C 65 52.926 54.412 -1.486 1 1 821 . 20 1 1 A 65 65 LEU CB C 65 45.561 45.984 -0.423 1 1 825 . 20 1 1 A 65 65 LEU N N 65 118.700 121.090 -2.390 1 1 826 . 20 1 1 A 66 66 ARG H H 66 9.031 9.155 -0.124 1 1 827 . 20 1 1 A 66 66 ARG HA H 66 4.345 4.393 -0.048 1 1 835 . 20 1 1 A 66 66 ARG C C 66 174.220 175.182 -0.962 1 1 836 . 20 1 1 A 66 66 ARG CA C 66 54.957 55.797 -0.840 1 1 837 . 20 1 1 A 66 66 ARG CB C 66 32.885 30.020 2.865 1 1 840 . 20 1 1 A 66 66 ARG N N 66 121.590 127.963 -6.373 1 1 842 . 20 1 1 A 67 67 VAL H H 67 9.359 8.364 0.995 1 1 843 . 20 1 1 A 67 67 VAL HA H 67 4.400 4.688 -0.288 1 1 851 . 20 1 1 A 67 67 VAL C C 67 174.070 174.121 -0.051 1 1 852 . 20 1 1 A 67 67 VAL CA C 67 60.910 61.253 -0.343 1 1 853 . 20 1 1 A 67 67 VAL CB C 67 33.960 33.202 0.758 1 1 856 . 20 1 1 A 67 67 VAL N N 67 126.230 123.286 2.944 1 1 857 . 20 1 1 A 68 68 TYR H H 68 8.710 8.775 -0.065 1 1 858 . 20 1 1 A 68 68 TYR HA H 68 5.070 4.915 0.155 1 1 865 . 20 1 1 A 68 68 TYR C C 68 175.390 174.656 0.734 1 1 866 . 20 1 1 A 68 68 TYR CA C 68 57.290 57.115 0.175 1 1 867 . 20 1 1 A 68 68 TYR CB C 68 38.690 40.114 -1.424 1 1 872 . 20 1 1 A 68 68 TYR N N 68 125.200 126.716 -1.516 1 1 873 . 20 1 1 A 69 69 HIS H H 69 9.224 8.740 0.484 1 1 874 . 20 1 1 A 69 69 HIS HA H 69 5.200 4.785 0.415 1 1 879 . 20 1 1 A 69 69 HIS C C 69 173.600 173.260 0.340 1 1 880 . 20 1 1 A 69 69 HIS CA C 69 56.502 55.017 1.485 1 1 881 . 20 1 1 A 69 69 HIS CB C 69 35.873 29.648 6.225 1 1 884 . 20 1 1 A 69 69 HIS N N 69 124.780 128.664 -3.884 1 1 885 . 20 1 1 A 70 70 SER H H 70 7.425 8.577 -1.152 1 1 886 . 20 1 1 A 70 70 SER HA H 70 4.800 4.424 0.376 1 1 889 . 20 1 1 A 70 70 SER C C 70 173.790 174.980 -1.190 1 1 890 . 20 1 1 A 70 70 SER CA C 70 56.840 57.700 -0.860 1 1 891 . 20 1 1 A 70 70 SER CB C 70 66.500 64.958 1.542 1 1 892 . 20 1 1 A 70 70 SER N N 70 118.910 123.410 -4.500 1 1 893 . 20 1 1 A 71 71 ASP H H 71 9.020 9.069 -0.049 1 1 894 . 20 1 1 A 71 71 ASP HA H 71 4.390 4.143 0.247 1 1 897 . 20 1 1 A 71 71 ASP C C 71 178.030 177.929 0.101 1 1 898 . 20 1 1 A 71 71 ASP CA C 71 57.220 57.732 -0.512 1 1 899 . 20 1 1 A 71 71 ASP CB C 71 40.622 40.639 -0.017 1 1 900 . 20 1 1 A 71 71 ASP N N 71 123.340 125.551 -2.211 1 1 901 . 20 1 1 A 72 72 LYS H H 72 8.220 7.644 0.576 1 1 902 . 20 1 1 A 72 72 LYS HA H 72 4.123 4.335 -0.212 1 1 911 . 20 1 1 A 72 72 LYS C C 72 177.560 176.834 0.726 1 1 912 . 20 1 1 A 72 72 LYS CA C 72 58.383 56.124 2.259 1 1 913 . 20 1 1 A 72 72 LYS CB C 72 32.778 32.536 0.242 1 1 917 . 20 1 1 A 72 72 LYS N N 72 116.640 116.126 0.514 1 1 918 . 20 1 1 A 73 73 LYS H H 73 7.367 7.925 -0.558 1 1 919 . 20 1 1 A 73 73 LYS HA H 73 4.449 4.216 0.233 1 1 928 . 20 1 1 A 73 73 LYS C C 73 176.750 176.443 0.307 1 1 929 . 20 1 1 A 73 73 LYS CA C 73 55.614 58.392 -2.778 1 1 930 . 20 1 1 A 73 73 LYS CB C 73 33.910 31.197 2.713 1 1 934 . 20 1 1 A 73 73 LYS N N 73 115.780 116.812 -1.032 1 1 935 . 20 1 1 A 74 74 GLY H H 74 8.240 8.380 -0.140 1 1 936 . 20 1 1 A 74 74 GLY HA2 H 74 3.630 4.047 -0.417 1 1 937 . 20 1 1 A 74 74 GLY HA3 H 74 4.240 4.048 0.192 1 1 938 . 20 1 1 A 74 74 GLY C C 74 174.817 174.750 0.067 1 1 939 . 20 1 1 A 74 74 GLY CA C 74 45.075 45.328 -0.253 1 1 940 . 20 1 1 A 74 74 GLY N N 74 110.370 109.936 0.434 1 1 941 . 20 1 1 A 75 75 VAL H H 75 9.140 8.286 0.854 1 1 942 . 20 1 1 A 75 75 VAL HA H 75 4.640 4.131 0.509 1 1 950 . 20 1 1 A 75 75 VAL C C 75 177.000 176.037 0.963 1 1 951 . 20 1 1 A 75 75 VAL CA C 75 63.550 62.793 0.757 1 1 952 . 20 1 1 A 75 75 VAL CB C 75 32.237 30.763 1.474 1 1 955 . 20 1 1 A 75 75 VAL N N 75 124.300 116.815 7.485 1 1 956 . 20 1 1 A 76 76 SER H H 76 9.020 8.891 0.129 1 1 957 . 20 1 1 A 76 76 SER HA H 76 4.640 4.539 0.101 1 1 960 . 20 1 1 A 76 76 SER C C 76 174.250 174.067 0.183 1 1 961 . 20 1 1 A 76 76 SER CA C 76 58.440 60.058 -1.618 1 1 962 . 20 1 1 A 76 76 SER CB C 76 64.550 63.592 0.958 1 1 963 . 20 1 1 A 76 76 SER N N 76 122.490 123.294 -0.804 1 1 964 . 20 1 1 A 77 77 ALA H H 77 7.890 7.705 0.185 1 1 965 . 20 1 1 A 77 77 ALA HA H 77 4.420 4.701 -0.281 1 1 969 . 20 1 1 A 77 77 ALA C C 77 174.430 175.166 -0.736 1 1 970 . 20 1 1 A 77 77 ALA CA C 77 51.940 51.584 0.356 1 1 971 . 20 1 1 A 77 77 ALA CB C 77 22.234 22.049 0.185 1 1 972 . 20 1 1 A 77 77 ALA N N 77 122.930 120.380 2.550 1 1 973 . 20 1 1 A 78 78 TRP H H 78 7.776 8.523 -0.747 1 1 974 . 20 1 1 A 78 78 TRP HA H 78 5.690 5.657 0.033 1 1 982 . 20 1 1 A 78 78 TRP C C 78 174.450 173.748 0.702 1 1 983 . 20 1 1 A 78 78 TRP CA C 78 55.899 55.558 0.341 1 1 984 . 20 1 1 A 78 78 TRP CB C 78 32.602 32.537 0.065 1 1 989 . 20 1 1 A 78 78 TRP N N 78 114.705 118.578 -3.873 1 1 991 . 20 1 1 A 79 79 GLU H H 79 9.210 8.777 0.433 1 1 992 . 20 1 1 A 79 79 GLU HA H 79 4.730 4.897 -0.167 1 1 997 . 20 1 1 A 79 79 GLU C C 79 174.130 175.009 -0.879 1 1 998 . 20 1 1 A 79 79 GLU CA C 79 54.939 54.494 0.445 1 1 999 . 20 1 1 A 79 79 GLU CB C 79 31.656 33.090 -1.434 1 1 1001 . 20 1 1 A 79 79 GLU N N 79 114.860 120.853 -5.993 1 1 1002 . 20 1 1 A 80 80 GLU H H 80 9.120 8.787 0.333 1 1 1003 . 20 1 1 A 80 80 GLU HA H 80 5.030 4.825 0.205 1 1 1008 . 20 1 1 A 80 80 GLU C C 80 176.580 176.500 0.080 1 1 1009 . 20 1 1 A 80 80 GLU CA C 80 57.193 56.315 0.878 1 1 1010 . 20 1 1 A 80 80 GLU CB C 80 29.856 30.869 -1.013 1 1 1012 . 20 1 1 A 80 80 GLU N N 80 123.960 123.852 0.108 1 1 1013 . 20 1 1 A 81 81 VAL H H 81 8.694 9.091 -0.397 1 1 1014 . 20 1 1 A 81 81 VAL HA H 81 4.780 4.867 -0.087 1 1 1022 . 20 1 1 A 81 81 VAL C C 81 174.460 174.951 -0.491 1 1 1023 . 20 1 1 A 81 81 VAL CA C 81 58.927 59.084 -0.157 1 1 1024 . 20 1 1 A 81 81 VAL CB C 81 35.550 35.658 -0.108 1 1 1027 . 20 1 1 A 81 81 VAL N N 81 118.990 120.512 -1.522 1 1 1028 . 20 1 1 A 82 82 LYS H H 82 8.708 8.847 -0.139 1 1 1029 . 20 1 1 A 82 82 LYS HA H 82 4.580 4.569 0.011 1 1 1038 . 20 1 1 A 82 82 LYS C C 82 178.380 178.582 -0.202 1 1 1039 . 20 1 1 A 82 82 LYS CA C 82 55.212 55.562 -0.350 1 1 1040 . 20 1 1 A 82 82 LYS CB C 82 33.689 33.543 0.146 1 1 1044 . 20 1 1 A 82 82 LYS N N 82 120.850 123.261 -2.411 1 1 1045 . 20 1 1 A 83 83 LYS H H 83 8.870 8.867 0.003 1 1 1046 . 20 1 1 A 83 83 LYS HA H 83 3.180 3.822 -0.642 1 1 1055 . 20 1 1 A 83 83 LYS C C 83 177.690 178.588 -0.898 1 1 1056 . 20 1 1 A 83 83 LYS CA C 83 59.370 59.520 -0.150 1 1 1057 . 20 1 1 A 83 83 LYS CB C 83 32.209 32.036 0.173 1 1 1061 . 20 1 1 A 83 83 LYS N N 83 121.435 122.755 -1.320 1 1 1062 . 20 1 1 A 84 84 ASP H H 84 8.059 8.084 -0.025 1 1 1063 . 20 1 1 A 84 84 ASP HA H 84 4.220 4.439 -0.219 1 1 1066 . 20 1 1 A 84 84 ASP C C 84 177.100 177.552 -0.452 1 1 1067 . 20 1 1 A 84 84 ASP CA C 84 55.680 56.434 -0.754 1 1 1068 . 20 1 1 A 84 84 ASP CB C 84 40.392 41.130 -0.738 1 1 1069 . 20 1 1 A 84 84 ASP N N 84 112.520 120.428 -7.908 1 1 1070 . 20 1 1 A 85 85 GLU H H 85 7.686 7.592 0.094 1 1 1071 . 20 1 1 A 85 85 GLU HA H 85 4.136 4.375 -0.239 1 1 1076 . 20 1 1 A 85 85 GLU C C 85 176.270 175.725 0.545 1 1 1077 . 20 1 1 A 85 85 GLU CA C 85 56.133 56.425 -0.292 1 1 1078 . 20 1 1 A 85 85 GLU CB C 85 30.479 30.102 0.377 1 1 1080 . 20 1 1 A 85 85 GLU N N 85 116.930 116.551 0.379 1 1 1081 . 20 1 1 A 86 86 LEU H H 86 7.017 7.347 -0.330 1 1 1082 . 20 1 1 A 86 86 LEU HA H 86 3.710 4.229 -0.519 1 1 1092 . 20 1 1 A 86 86 LEU CA C 86 52.600 50.895 1.705 1 1 1093 . 20 1 1 A 86 86 LEU CB C 86 42.120 41.756 0.364 1 1 1097 . 20 1 1 A 86 86 LEU N N 86 119.530 121.620 -2.090 1 1 1098 . 20 1 1 A 87 87 PRO HA H 87 4.330 4.620 -0.290 1 1 1105 . 20 1 1 A 87 87 PRO C C 87 176.940 177.702 -0.762 1 1 1106 . 20 1 1 A 87 87 PRO CA C 87 62.400 62.242 0.158 1 1 1107 . 20 1 1 A 87 87 PRO CB C 87 32.537 32.837 -0.300 1 1 1110 . 20 1 1 A 88 88 ALA H H 88 8.943 8.702 0.241 1 1 1111 . 20 1 1 A 88 88 ALA HA H 88 3.780 3.985 -0.205 1 1 1115 . 20 1 1 A 88 88 ALA C C 88 180.520 179.618 0.902 1 1 1116 . 20 1 1 A 88 88 ALA CA C 88 56.911 54.900 2.011 1 1 1117 . 20 1 1 A 88 88 ALA CB C 88 18.502 18.139 0.363 1 1 1118 . 20 1 1 A 88 88 ALA N N 88 128.160 125.682 2.478 1 1 1119 . 20 1 1 A 89 89 LYS H H 89 9.270 8.070 1.200 1 1 1120 . 20 1 1 A 89 89 LYS HA H 89 3.990 4.085 -0.095 1 1 1129 . 20 1 1 A 89 89 LYS C C 89 179.070 179.191 -0.121 1 1 1130 . 20 1 1 A 89 89 LYS CA C 89 58.648 58.501 0.147 1 1 1131 . 20 1 1 A 89 89 LYS CB C 89 31.962 31.921 0.041 1 1 1135 . 20 1 1 A 89 89 LYS N N 89 115.610 117.603 -1.993 1 1 1136 . 20 1 1 A 90 90 VAL H H 90 6.846 7.748 -0.902 1 1 1137 . 20 1 1 A 90 90 VAL HA H 90 3.230 3.516 -0.286 1 1 1145 . 20 1 1 A 90 90 VAL C C 90 177.100 178.705 -1.605 1 1 1146 . 20 1 1 A 90 90 VAL CA C 90 65.870 66.472 -0.602 1 1 1147 . 20 1 1 A 90 90 VAL CB C 90 30.880 31.443 -0.563 1 1 1150 . 20 1 1 A 90 90 VAL N N 90 117.560 119.952 -2.392 1 1 1151 . 20 1 1 A 91 91 LYS H H 91 7.850 7.794 0.056 1 1 1152 . 20 1 1 A 91 91 LYS HA H 91 3.430 4.317 -0.887 1 1 1161 . 20 1 1 A 91 91 LYS C C 91 178.420 179.004 -0.584 1 1 1162 . 20 1 1 A 91 91 LYS CA C 91 61.028 58.897 2.131 1 1 1163 . 20 1 1 A 91 91 LYS CB C 91 32.387 32.528 -0.141 1 1 1167 . 20 1 1 A 91 91 LYS N N 91 118.750 119.239 -0.489 1 1 1168 . 20 1 1 A 92 92 GLU H H 92 7.282 7.993 -0.711 1 1 1169 . 20 1 1 A 92 92 GLU HA H 92 3.990 4.077 -0.087 1 1 1174 . 20 1 1 A 92 92 GLU C C 92 179.380 177.556 1.824 1 1 1175 . 20 1 1 A 92 92 GLU CA C 92 59.030 59.099 -0.069 1 1 1176 . 20 1 1 A 92 92 GLU CB C 92 29.841 29.259 0.582 1 1 1178 . 20 1 1 A 92 92 GLU N N 92 115.375 118.830 -3.455 1 1 1179 . 20 1 1 A 93 93 LYS H H 93 7.343 7.372 -0.029 1 1 1180 . 20 1 1 A 93 93 LYS HA H 93 3.800 4.390 -0.590 1 1 1189 . 20 1 1 A 93 93 LYS C C 93 178.310 176.277 2.033 1 1 1190 . 20 1 1 A 93 93 LYS CA C 93 56.970 57.009 -0.039 1 1 1191 . 20 1 1 A 93 93 LYS CB C 93 30.740 34.172 -3.432 1 1 1195 . 20 1 1 A 93 93 LYS N N 93 118.370 117.720 0.650 1 1 1196 . 20 1 1 A 94 94 LEU H H 94 8.000 7.785 0.215 1 1 1197 . 20 1 1 A 94 94 LEU HA H 94 4.360 4.413 -0.053 1 1 1207 . 20 1 1 A 94 94 LEU C C 94 177.350 177.579 -0.229 1 1 1208 . 20 1 1 A 94 94 LEU CA C 94 54.765 54.181 0.584 1 1 1209 . 20 1 1 A 94 94 LEU CB C 94 42.796 40.392 2.404 1 1 1213 . 20 1 1 A 94 94 LEU N N 94 115.600 117.496 -1.896 1 1 1214 . 20 1 1 A 95 95 GLY H H 95 7.601 8.518 -0.917 1 1 1215 . 20 1 1 A 95 95 GLY HA2 H 95 3.830 3.962 -0.132 1 1 1216 . 20 1 1 A 95 95 GLY HA3 H 95 3.950 3.963 -0.013 1 1 1217 . 20 1 1 A 95 95 GLY C C 95 174.790 174.271 0.519 1 1 1218 . 20 1 1 A 95 95 GLY CA C 95 46.550 45.265 1.285 1 1 1219 . 20 1 1 A 95 95 GLY N N 95 108.540 113.007 -4.467 1 1 1220 . 20 1 1 A 96 96 VAL H H 96 7.957 7.891 0.066 1 1 1221 . 20 1 1 A 96 96 VAL HA H 96 3.940 4.452 -0.512 1 1 1229 . 20 1 1 A 96 96 VAL C C 96 175.540 175.274 0.266 1 1 1230 . 20 1 1 A 96 96 VAL CA C 96 62.314 60.605 1.709 1 1 1231 . 20 1 1 A 96 96 VAL CB C 96 32.155 34.667 -2.512 1 1 1234 . 20 1 1 A 96 96 VAL N N 96 119.490 120.878 -1.388 1 1 1235 . 20 1 1 A 97 97 LYS H H 97 8.293 8.760 -0.467 1 1 1236 . 20 1 1 A 97 97 LYS HA H 97 4.210 4.525 -0.315 1 1 1245 . 20 1 1 A 97 97 LYS C C 97 176.290 175.786 0.504 1 1 1246 . 20 1 1 A 97 97 LYS CA C 97 56.174 55.050 1.124 1 1 1247 . 20 1 1 A 97 97 LYS CB C 97 33.200 34.022 -0.822 1 1 1251 . 20 1 1 A 97 97 LYS N N 97 126.120 122.468 3.652 1 1 1252 . 20 1 1 A 98 98 LEU H H 98 8.315 8.111 0.204 1 1 1253 . 20 1 1 A 98 98 LEU HA H 98 4.240 4.065 0.175 1 1 1263 . 20 1 1 A 98 98 LEU C C 98 176.930 176.313 0.617 1 1 1264 . 20 1 1 A 98 98 LEU CA C 98 54.800 55.468 -0.668 1 1 1265 . 20 1 1 A 98 98 LEU CB C 98 42.217 40.595 1.622 1 1 1269 . 20 1 1 A 98 98 LEU N N 98 124.170 117.031 7.139 1 1 1270 . 20 1 1 A 99 99 GLU H H 99 8.375 8.589 -0.214 1 1 1271 . 20 1 1 A 99 99 GLU HA H 99 4.175 4.592 -0.417 1 1 1276 . 20 1 1 A 99 99 GLU C C 99 176.035 175.943 0.092 1 1 1277 . 20 1 1 A 99 99 GLU CA C 99 56.352 56.906 -0.554 1 1 1278 . 20 1 1 A 99 99 GLU CB C 99 30.460 31.724 -1.264 1 1 1280 . 20 1 1 A 99 99 GLU N N 99 122.010 121.016 0.994 1 1 1281 . 20 1 1 A 100 100 HIS H H 100 8.350 7.944 0.406 1 1 1282 . 20 1 1 A 100 100 HIS HA H 100 4.565 5.040 -0.475 1 1 1285 . 20 1 1 A 100 100 HIS C C 100 173.880 174.725 -0.845 1 1 1286 . 20 1 1 A 100 100 HIS CA C 100 56.050 55.048 1.002 1 1 1287 . 20 1 1 A 100 100 HIS CB C 100 30.144 31.630 -1.486 1 1 1288 . 20 1 1 A 100 100 HIS N N 100 120.245 120.346 -0.101 1 1 1289 . 20 1 1 A 101 101 HIS H H 101 8.134 8.635 -0.501 1 1 1290 . 20 1 1 A 101 101 HIS HA H 101 4.410 4.918 -0.508 1 1 1293 . 20 1 1 A 101 101 HIS CA C 101 57.290 55.779 1.511 1 1 1294 . 20 1 1 A 101 101 HIS CB C 101 31.450 33.427 -1.977 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 98 1.086 1 2 1 1 1 "RMS(OBS, PRED)" CA 100 1.324 1 3 1 1 1 "RMS(OBS, PRED)" CB 93 1.627 1 4 1 1 1 "RMS(OBS, PRED)" H 98 0.508 1 5 1 1 1 "RMS(OBS, PRED)" HA 107 0.436 1 6 1 1 1 "RMS(OBS, PRED)" N 97 3.494 1 7 1 2 1 "RMS(OBS, PRED)" C 98 0.968 1 8 1 2 1 "RMS(OBS, PRED)" CA 100 1.341 1 9 1 2 1 "RMS(OBS, PRED)" CB 93 1.673 1 10 1 2 1 "RMS(OBS, PRED)" H 98 0.515 1 11 1 2 1 "RMS(OBS, PRED)" HA 107 0.460 1 12 1 2 1 "RMS(OBS, PRED)" N 97 3.714 1 13 1 3 1 "RMS(OBS, PRED)" C 98 0.993 1 14 1 3 1 "RMS(OBS, PRED)" CA 100 1.264 1 15 1 3 1 "RMS(OBS, PRED)" CB 93 1.799 1 16 1 3 1 "RMS(OBS, PRED)" H 98 0.507 1 17 1 3 1 "RMS(OBS, PRED)" HA 107 0.391 1 18 1 3 1 "RMS(OBS, PRED)" N 97 3.292 1 19 1 4 1 "RMS(OBS, PRED)" C 98 0.964 1 20 1 4 1 "RMS(OBS, PRED)" CA 100 1.167 1 21 1 4 1 "RMS(OBS, PRED)" CB 93 1.702 1 22 1 4 1 "RMS(OBS, PRED)" H 98 0.545 1 23 1 4 1 "RMS(OBS, PRED)" HA 107 0.440 1 24 1 4 1 "RMS(OBS, PRED)" N 97 3.565 1 25 1 5 1 "RMS(OBS, PRED)" C 98 0.917 1 26 1 5 1 "RMS(OBS, PRED)" CA 100 1.194 1 27 1 5 1 "RMS(OBS, PRED)" CB 93 1.690 1 28 1 5 1 "RMS(OBS, PRED)" H 98 0.533 1 29 1 5 1 "RMS(OBS, PRED)" HA 107 0.397 1 30 1 5 1 "RMS(OBS, PRED)" N 97 3.413 1 31 1 6 1 "RMS(OBS, PRED)" C 98 1.061 1 32 1 6 1 "RMS(OBS, PRED)" CA 100 1.177 1 33 1 6 1 "RMS(OBS, PRED)" CB 93 1.796 1 34 1 6 1 "RMS(OBS, PRED)" H 98 0.578 1 35 1 6 1 "RMS(OBS, PRED)" HA 107 0.481 1 36 1 6 1 "RMS(OBS, PRED)" N 97 3.480 1 37 1 7 1 "RMS(OBS, PRED)" C 98 1.069 1 38 1 7 1 "RMS(OBS, PRED)" CA 100 1.201 1 39 1 7 1 "RMS(OBS, PRED)" CB 93 1.905 1 40 1 7 1 "RMS(OBS, PRED)" H 98 0.479 1 41 1 7 1 "RMS(OBS, PRED)" HA 107 0.445 1 42 1 7 1 "RMS(OBS, PRED)" N 97 3.276 1 43 1 8 1 "RMS(OBS, PRED)" C 98 0.970 1 44 1 8 1 "RMS(OBS, PRED)" CA 100 1.262 1 45 1 8 1 "RMS(OBS, PRED)" CB 93 1.726 1 46 1 8 1 "RMS(OBS, PRED)" H 98 0.501 1 47 1 8 1 "RMS(OBS, PRED)" HA 107 0.433 1 48 1 8 1 "RMS(OBS, PRED)" N 97 3.209 1 49 1 9 1 "RMS(OBS, PRED)" C 98 0.999 1 50 1 9 1 "RMS(OBS, PRED)" CA 100 1.364 1 51 1 9 1 "RMS(OBS, PRED)" CB 93 1.678 1 52 1 9 1 "RMS(OBS, PRED)" H 98 0.537 1 53 1 9 1 "RMS(OBS, PRED)" HA 107 0.443 1 54 1 9 1 "RMS(OBS, PRED)" N 97 3.741 1 55 1 10 1 "RMS(OBS, PRED)" C 98 1.023 1 56 1 10 1 "RMS(OBS, PRED)" CA 100 1.199 1 57 1 10 1 "RMS(OBS, PRED)" CB 93 1.701 1 58 1 10 1 "RMS(OBS, PRED)" H 98 0.483 1 59 1 10 1 "RMS(OBS, PRED)" HA 107 0.438 1 60 1 10 1 "RMS(OBS, PRED)" N 97 3.629 1 61 1 11 1 "RMS(OBS, PRED)" C 98 1.010 1 62 1 11 1 "RMS(OBS, PRED)" CA 100 1.313 1 63 1 11 1 "RMS(OBS, PRED)" CB 93 1.646 1 64 1 11 1 "RMS(OBS, PRED)" H 98 0.502 1 65 1 11 1 "RMS(OBS, PRED)" HA 107 0.415 1 66 1 11 1 "RMS(OBS, PRED)" N 97 3.660 1 67 1 12 1 "RMS(OBS, PRED)" C 98 0.996 1 68 1 12 1 "RMS(OBS, PRED)" CA 100 1.384 1 69 1 12 1 "RMS(OBS, PRED)" CB 93 1.724 1 70 1 12 1 "RMS(OBS, PRED)" H 98 0.531 1 71 1 12 1 "RMS(OBS, PRED)" HA 107 0.440 1 72 1 12 1 "RMS(OBS, PRED)" N 97 3.641 1 73 1 13 1 "RMS(OBS, PRED)" C 98 1.014 1 74 1 13 1 "RMS(OBS, PRED)" CA 100 1.253 1 75 1 13 1 "RMS(OBS, PRED)" CB 93 1.480 1 76 1 13 1 "RMS(OBS, PRED)" H 98 0.478 1 77 1 13 1 "RMS(OBS, PRED)" HA 107 0.427 1 78 1 13 1 "RMS(OBS, PRED)" N 97 3.212 1 79 1 14 1 "RMS(OBS, PRED)" C 98 0.981 1 80 1 14 1 "RMS(OBS, PRED)" CA 100 1.310 1 81 1 14 1 "RMS(OBS, PRED)" CB 93 1.682 1 82 1 14 1 "RMS(OBS, PRED)" H 98 0.532 1 83 1 14 1 "RMS(OBS, PRED)" HA 107 0.457 1 84 1 14 1 "RMS(OBS, PRED)" N 97 3.596 1 85 1 15 1 "RMS(OBS, PRED)" C 98 1.033 1 86 1 15 1 "RMS(OBS, PRED)" CA 100 1.359 1 87 1 15 1 "RMS(OBS, PRED)" CB 93 1.758 1 88 1 15 1 "RMS(OBS, PRED)" H 98 0.500 1 89 1 15 1 "RMS(OBS, PRED)" HA 107 0.430 1 90 1 15 1 "RMS(OBS, PRED)" N 97 3.837 1 91 1 16 1 "RMS(OBS, PRED)" C 98 0.996 1 92 1 16 1 "RMS(OBS, PRED)" CA 100 1.326 1 93 1 16 1 "RMS(OBS, PRED)" CB 93 1.781 1 94 1 16 1 "RMS(OBS, PRED)" H 98 0.521 1 95 1 16 1 "RMS(OBS, PRED)" HA 107 0.429 1 96 1 16 1 "RMS(OBS, PRED)" N 97 3.602 1 97 1 17 1 "RMS(OBS, PRED)" C 98 0.892 1 98 1 17 1 "RMS(OBS, PRED)" CA 100 1.326 1 99 1 17 1 "RMS(OBS, PRED)" CB 93 1.497 1 100 1 17 1 "RMS(OBS, PRED)" H 98 0.481 1 101 1 17 1 "RMS(OBS, PRED)" HA 107 0.427 1 102 1 17 1 "RMS(OBS, PRED)" N 97 3.772 1 103 1 18 1 "RMS(OBS, PRED)" C 98 0.954 1 104 1 18 1 "RMS(OBS, PRED)" CA 100 1.252 1 105 1 18 1 "RMS(OBS, PRED)" CB 93 1.626 1 106 1 18 1 "RMS(OBS, PRED)" H 98 0.526 1 107 1 18 1 "RMS(OBS, PRED)" HA 107 0.425 1 108 1 18 1 "RMS(OBS, PRED)" N 97 3.661 1 109 1 19 1 "RMS(OBS, PRED)" C 98 1.035 1 110 1 19 1 "RMS(OBS, PRED)" CA 100 1.273 1 111 1 19 1 "RMS(OBS, PRED)" CB 93 1.685 1 112 1 19 1 "RMS(OBS, PRED)" H 98 0.543 1 113 1 19 1 "RMS(OBS, PRED)" HA 107 0.425 1 114 1 19 1 "RMS(OBS, PRED)" N 97 3.589 1 115 1 20 1 "RMS(OBS, PRED)" C 98 1.022 1 116 1 20 1 "RMS(OBS, PRED)" CA 100 1.313 1 117 1 20 1 "RMS(OBS, PRED)" CB 93 1.723 1 118 1 20 1 "RMS(OBS, PRED)" H 98 0.468 1 119 1 20 1 "RMS(OBS, PRED)" HA 107 0.435 1 120 1 20 1 "RMS(OBS, PRED)" N 97 3.686 1 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Conformer_type "average" _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 1 . 1 1 A 2 2 ASP HA H 2 4.670 4.871 -0.201 2 1 4 . 1 1 A 2 2 ASP C C 2 176.480 176.510 -0.030 2 1 5 . 1 1 A 2 2 ASP CA C 2 53.400 53.562 -0.162 2 1 6 . 1 1 A 2 2 ASP CB C 2 41.170 40.977 0.193 2 1 7 . 1 1 A 3 3 LEU H H 3 8.650 8.349 0.301 2 1 8 . 1 1 A 3 3 LEU HA H 3 4.116 4.327 -0.211 2 1 18 . 1 1 A 3 3 LEU C C 3 177.880 177.911 -0.031 2 1 19 . 1 1 A 3 3 LEU CA C 3 56.390 55.956 0.434 2 1 20 . 1 1 A 3 3 LEU CB C 3 41.660 41.825 -0.165 2 1 24 . 1 1 A 3 3 LEU N N 3 125.300 122.692 2.608 2 1 25 . 1 1 A 4 4 ASN H H 4 8.370 8.138 0.232 2 1 26 . 1 1 A 4 4 ASN HA H 4 4.490 4.588 -0.098 2 1 31 . 1 1 A 4 4 ASN C C 4 175.050 176.380 -1.330 2 1 32 . 1 1 A 4 4 ASN CA C 4 54.320 55.377 -1.057 2 1 33 . 1 1 A 4 4 ASN CB C 4 38.240 38.367 -0.127 2 1 34 . 1 1 A 4 4 ASN N N 4 116.550 117.773 -1.223 2 1 36 . 1 1 A 5 5 ARG H H 5 7.645 7.929 -0.284 2 1 37 . 1 1 A 5 5 ARG HA H 5 3.920 4.421 -0.501 2 1 45 . 1 1 A 5 5 ARG C C 5 176.030 176.095 -0.065 2 1 46 . 1 1 A 5 5 ARG CA C 5 56.180 56.209 -0.029 2 1 47 . 1 1 A 5 5 ARG CB C 5 31.570 30.745 0.825 2 1 50 . 1 1 A 5 5 ARG N N 5 118.590 117.073 1.517 2 1 52 . 1 1 A 6 6 MET H H 6 7.809 7.885 -0.076 2 1 53 . 1 1 A 6 6 MET HA H 6 4.355 4.552 -0.197 2 1 58 . 1 1 A 6 6 MET C C 6 176.940 176.152 0.788 2 1 59 . 1 1 A 6 6 MET CA C 6 56.290 55.850 0.440 2 1 60 . 1 1 A 6 6 MET CB C 6 33.020 32.916 0.104 2 1 62 . 1 1 A 6 6 MET N N 6 120.180 118.917 1.263 2 1 63 . 1 1 A 7 7 GLY H H 7 8.906 8.444 0.462 2 1 64 . 1 1 A 7 7 GLY HA2 H 7 3.870 4.055 -0.185 2 1 65 . 1 1 A 7 7 GLY HA3 H 7 3.950 4.085 -0.135 2 1 66 . 1 1 A 7 7 GLY C C 7 174.280 173.694 0.587 2 1 67 . 1 1 A 7 7 GLY CA C 7 46.110 45.788 0.322 2 1 68 . 1 1 A 7 7 GLY N N 7 112.660 109.628 3.032 2 1 69 . 1 1 A 8 8 LYS H H 8 7.819 8.244 -0.425 2 1 70 . 1 1 A 8 8 LYS HA H 8 4.550 4.513 0.037 2 1 79 . 1 1 A 8 8 LYS C C 8 176.060 175.136 0.924 2 1 80 . 1 1 A 8 8 LYS CA C 8 54.444 55.905 -1.461 2 1 81 . 1 1 A 8 8 LYS CB C 8 33.760 33.159 0.601 2 1 85 . 1 1 A 8 8 LYS N N 8 119.130 120.576 -1.446 2 1 86 . 1 1 A 9 9 ASP H H 9 8.790 8.405 0.385 2 1 87 . 1 1 A 9 9 ASP HA H 9 4.730 4.912 -0.182 2 1 90 . 1 1 A 9 9 ASP C C 9 174.530 175.110 -0.580 2 1 91 . 1 1 A 9 9 ASP CA C 9 54.560 53.478 1.082 2 1 92 . 1 1 A 9 9 ASP CB C 9 42.530 42.510 0.020 2 1 93 . 1 1 A 9 9 ASP N N 9 121.550 122.301 -0.751 2 1 94 . 1 1 A 10 10 GLU H H 10 7.950 8.690 -0.740 2 1 95 . 1 1 A 10 10 GLU HA H 10 4.570 5.184 -0.614 2 1 100 . 1 1 A 10 10 GLU C C 10 174.080 174.445 -0.365 2 1 101 . 1 1 A 10 10 GLU CA C 10 54.640 54.914 -0.274 2 1 102 . 1 1 A 10 10 GLU CB C 10 31.380 31.772 -0.392 2 1 104 . 1 1 A 10 10 GLU N N 10 119.640 120.494 -0.854 2 1 105 . 1 1 A 11 11 TYR H H 11 8.767 9.140 -0.373 2 1 106 . 1 1 A 11 11 TYR HA H 11 4.555 5.122 -0.567 2 1 113 . 1 1 A 11 11 TYR C C 11 173.480 174.750 -1.270 2 1 114 . 1 1 A 11 11 TYR CA C 11 56.360 56.468 -0.108 2 1 115 . 1 1 A 11 11 TYR CB C 11 43.860 40.434 3.426 2 1 120 . 1 1 A 11 11 TYR N N 11 120.960 123.301 -2.341 2 1 121 . 1 1 A 12 12 TYR H H 12 9.290 9.115 0.175 2 1 122 . 1 1 A 12 12 TYR HA H 12 5.730 5.135 0.595 2 1 129 . 1 1 A 12 12 TYR C C 12 175.700 175.998 -0.298 2 1 130 . 1 1 A 12 12 TYR CA C 12 56.680 57.670 -0.991 2 1 131 . 1 1 A 12 12 TYR CB C 12 42.180 38.213 3.967 2 1 136 . 1 1 A 12 12 TYR N N 12 118.880 123.645 -4.765 2 1 137 . 1 1 A 13 13 VAL H H 13 8.670 8.933 -0.263 2 1 138 . 1 1 A 13 13 VAL HA H 13 5.050 5.170 -0.120 2 1 146 . 1 1 A 13 13 VAL C C 13 174.820 174.643 0.177 2 1 147 . 1 1 A 13 13 VAL CA C 13 58.130 59.598 -1.468 2 1 148 . 1 1 A 13 13 VAL CB C 13 35.890 34.937 0.953 2 1 151 . 1 1 A 13 13 VAL N N 13 112.280 118.793 -6.513 2 1 152 . 1 1 A 14 14 GLN H H 14 8.760 8.711 0.049 2 1 153 . 1 1 A 14 14 GLN HA H 14 5.090 4.814 0.277 2 1 160 . 1 1 A 14 14 GLN C C 14 175.000 175.030 -0.030 2 1 161 . 1 1 A 14 14 GLN CA C 14 53.520 54.104 -0.584 2 1 162 . 1 1 A 14 14 GLN CB C 14 31.250 31.023 0.227 2 1 164 . 1 1 A 14 14 GLN N N 14 120.910 120.764 0.146 2 1 166 . 1 1 A 15 15 ILE H H 15 8.843 8.731 0.112 2 1 167 . 1 1 A 15 15 ILE HA H 15 3.900 4.117 -0.217 2 1 177 . 1 1 A 15 15 ILE C C 15 177.090 177.067 0.023 2 1 178 . 1 1 A 15 15 ILE CA C 15 59.269 61.642 -2.373 2 1 179 . 1 1 A 15 15 ILE CB C 15 34.050 36.849 -2.799 2 1 183 . 1 1 A 15 15 ILE N N 15 125.520 124.521 0.999 2 1 184 . 1 1 A 16 16 THR H H 16 7.996 8.428 -0.432 2 1 185 . 1 1 A 16 16 THR HA H 16 4.540 4.328 0.212 2 1 190 . 1 1 A 16 16 THR C C 16 173.650 174.859 -1.209 2 1 191 . 1 1 A 16 16 THR CA C 16 61.180 63.518 -2.338 2 1 192 . 1 1 A 16 16 THR CB C 16 69.300 68.910 0.390 2 1 194 . 1 1 A 16 16 THR N N 16 118.080 119.359 -1.279 2 1 195 . 1 1 A 17 17 VAL H H 17 7.240 7.608 -0.368 2 1 196 . 1 1 A 17 17 VAL HA H 17 4.659 4.487 0.172 2 1 204 . 1 1 A 17 17 VAL C C 17 175.135 174.838 0.297 2 1 205 . 1 1 A 17 17 VAL CA C 17 58.870 60.466 -1.596 2 1 206 . 1 1 A 17 17 VAL CB C 17 36.070 33.671 2.399 2 1 209 . 1 1 A 17 17 VAL N N 17 113.230 118.714 -5.484 2 1 210 . 1 1 A 18 18 ASP H H 18 8.280 8.578 -0.298 2 1 211 . 1 1 A 18 18 ASP HA H 18 5.010 4.949 0.061 2 1 214 . 1 1 A 18 18 ASP C C 18 177.350 175.528 1.822 2 1 215 . 1 1 A 18 18 ASP CA C 18 54.765 52.081 2.684 2 1 216 . 1 1 A 18 18 ASP CB C 18 42.120 44.028 -1.908 2 1 217 . 1 1 A 18 18 ASP N N 18 120.730 124.147 -3.417 2 1 218 . 1 1 A 19 19 GLY H H 19 8.951 8.472 0.479 2 1 219 . 1 1 A 19 19 GLY HA2 H 19 2.920 3.712 -0.792 2 1 220 . 1 1 A 19 19 GLY HA3 H 19 2.978 3.866 -0.889 2 1 221 . 1 1 A 19 19 GLY C C 19 172.450 174.329 -1.879 2 1 222 . 1 1 A 19 19 GLY CA C 19 45.370 45.626 -0.256 2 1 223 . 1 1 A 19 19 GLY N N 19 110.580 110.056 0.524 2 1 224 . 1 1 A 20 20 LYS H H 20 8.110 7.718 0.392 2 1 225 . 1 1 A 20 20 LYS HA H 20 4.374 4.297 0.077 2 1 234 . 1 1 A 20 20 LYS C C 20 175.710 175.467 0.243 2 1 235 . 1 1 A 20 20 LYS CA C 20 54.800 55.402 -0.602 2 1 236 . 1 1 A 20 20 LYS CB C 20 33.240 31.789 1.451 2 1 240 . 1 1 A 20 20 LYS N N 20 124.290 121.506 2.784 2 1 241 . 1 1 A 21 21 GLU H H 21 8.710 8.378 0.332 2 1 242 . 1 1 A 21 21 GLU HA H 21 3.930 4.745 -0.815 2 1 247 . 1 1 A 21 21 GLU C C 21 175.960 175.959 0.001 2 1 248 . 1 1 A 21 21 GLU CA C 21 56.940 55.747 1.193 2 1 249 . 1 1 A 21 21 GLU CB C 21 30.439 30.616 -0.177 2 1 251 . 1 1 A 21 21 GLU N N 21 128.720 124.671 4.049 2 1 252 . 1 1 A 22 22 VAL H H 22 8.621 8.616 0.005 2 1 253 . 1 1 A 22 22 VAL HA H 22 4.160 4.401 -0.241 2 1 261 . 1 1 A 22 22 VAL C C 22 175.210 175.393 -0.183 2 1 262 . 1 1 A 22 22 VAL CA C 22 61.027 61.260 -0.233 2 1 263 . 1 1 A 22 22 VAL CB C 22 34.501 31.470 3.031 2 1 266 . 1 1 A 22 22 VAL N N 22 125.340 120.808 4.531 2 1 267 . 1 1 A 23 23 HIS H H 23 8.607 8.401 0.206 2 1 268 . 1 1 A 23 23 HIS HA H 23 4.820 4.535 0.285 2 1 273 . 1 1 A 23 23 HIS C C 23 175.040 175.318 -0.278 2 1 274 . 1 1 A 23 23 HIS CA C 23 55.498 55.839 -0.341 2 1 275 . 1 1 A 23 23 HIS CB C 23 30.660 29.362 1.298 2 1 278 . 1 1 A 23 23 HIS N N 23 124.000 125.296 -1.296 2 1 279 . 1 1 A 24 24 SER H H 24 8.480 8.074 0.406 2 1 280 . 1 1 A 24 24 SER HA H 24 4.480 4.253 0.227 2 1 283 . 1 1 A 24 24 SER C C 24 173.860 174.594 -0.734 2 1 284 . 1 1 A 24 24 SER CA C 24 57.690 59.485 -1.795 2 1 285 . 1 1 A 24 24 SER CB C 24 64.580 63.235 1.345 2 1 286 . 1 1 A 24 24 SER N N 24 118.250 116.885 1.364 2 1 287 . 1 1 A 25 25 LYS H H 25 8.517 7.822 0.695 2 1 288 . 1 1 A 25 25 LYS HA H 25 4.561 4.383 0.178 2 1 297 . 1 1 A 25 25 LYS C C 25 176.160 176.112 0.048 2 1 298 . 1 1 A 25 25 LYS CA C 25 56.255 55.987 0.268 2 1 299 . 1 1 A 25 25 LYS CB C 25 33.714 32.753 0.961 2 1 303 . 1 1 A 25 25 LYS N N 25 122.750 120.724 2.026 2 1 304 . 1 1 A 26 26 ALA H H 26 8.468 8.002 0.467 2 1 305 . 1 1 A 26 26 ALA HA H 26 4.470 4.259 0.211 2 1 309 . 1 1 A 26 26 ALA C C 26 177.950 177.198 0.752 2 1 310 . 1 1 A 26 26 ALA CA C 26 51.912 52.791 -0.879 2 1 311 . 1 1 A 26 26 ALA CB C 26 20.050 18.652 1.398 2 1 312 . 1 1 A 26 26 ALA N N 26 125.370 122.998 2.372 2 1 313 . 1 1 A 27 27 ASP H H 27 8.509 8.169 0.340 2 1 314 . 1 1 A 27 27 ASP HA H 27 4.460 4.513 -0.053 2 1 317 . 1 1 A 27 27 ASP C C 27 176.480 176.600 -0.120 2 1 318 . 1 1 A 27 27 ASP CA C 27 55.490 55.361 0.129 2 1 319 . 1 1 A 27 27 ASP CB C 27 40.771 40.686 0.085 2 1 320 . 1 1 A 27 27 ASP N N 27 120.380 118.709 1.671 2 1 321 . 1 1 A 28 28 ASN H H 28 8.193 8.454 -0.261 2 1 322 . 1 1 A 28 28 ASN HA H 28 4.620 4.683 -0.063 2 1 327 . 1 1 A 28 28 ASN C C 28 176.310 175.381 0.929 2 1 328 . 1 1 A 28 28 ASN CA C 28 53.050 53.878 -0.828 2 1 329 . 1 1 A 28 28 ASN CB C 28 38.080 38.815 -0.735 2 1 330 . 1 1 A 28 28 ASN N N 28 117.470 118.826 -1.356 2 1 332 . 1 1 A 29 29 GLY H H 29 8.359 7.929 0.430 2 1 333 . 1 1 A 29 29 GLY HA2 H 29 4.110 4.073 0.037 2 1 334 . 1 1 A 29 29 GLY HA3 H 29 3.720 4.090 -0.370 2 1 335 . 1 1 A 29 29 GLY C C 29 174.365 174.153 0.212 2 1 336 . 1 1 A 29 29 GLY CA C 29 45.688 45.442 0.246 2 1 337 . 1 1 A 29 29 GLY N N 29 108.230 106.413 1.817 2 1 338 . 1 1 A 30 30 GLN H H 30 7.920 7.881 0.039 2 1 339 . 1 1 A 30 30 GLN HA H 30 4.200 4.387 -0.187 2 1 346 . 1 1 A 30 30 GLN C C 30 174.330 175.555 -1.225 2 1 347 . 1 1 A 30 30 GLN CA C 30 56.210 55.188 1.022 2 1 348 . 1 1 A 30 30 GLN CB C 30 29.320 29.041 0.279 2 1 350 . 1 1 A 30 30 GLN N N 30 119.670 119.975 -0.305 2 1 352 . 1 1 A 31 31 LYS H H 31 8.390 8.608 -0.218 2 1 353 . 1 1 A 31 31 LYS HA H 31 4.490 4.510 -0.020 2 1 362 . 1 1 A 31 31 LYS C C 31 176.052 175.444 0.608 2 1 363 . 1 1 A 31 31 LYS CA C 31 56.417 56.068 0.349 2 1 364 . 1 1 A 31 31 LYS CB C 31 33.414 32.753 0.661 2 1 368 . 1 1 A 31 31 LYS N N 31 121.950 124.342 -2.392 2 1 369 . 1 1 A 32 32 TYR H H 32 8.160 8.054 0.106 2 1 370 . 1 1 A 32 32 TYR HA H 32 4.770 4.984 -0.214 2 1 377 . 1 1 A 32 32 TYR C C 32 175.560 174.524 1.036 2 1 378 . 1 1 A 32 32 TYR CA C 32 56.300 56.676 -0.376 2 1 379 . 1 1 A 32 32 TYR CB C 32 40.074 40.541 -0.467 2 1 384 . 1 1 A 32 32 TYR N N 32 119.960 119.974 -0.014 2 1 385 . 1 1 A 33 33 LYS H H 33 8.397 8.726 -0.329 2 1 386 . 1 1 A 33 33 LYS HA H 33 4.610 4.758 -0.148 2 1 395 . 1 1 A 33 33 LYS C C 33 174.080 174.753 -0.673 2 1 396 . 1 1 A 33 33 LYS CA C 33 55.512 54.895 0.617 2 1 397 . 1 1 A 33 33 LYS CB C 33 34.570 34.614 -0.044 2 1 401 . 1 1 A 33 33 LYS N N 33 122.080 121.964 0.116 2 1 402 . 1 1 A 34 34 ASP H H 34 8.140 8.673 -0.533 2 1 403 . 1 1 A 34 34 ASP HA H 34 5.040 5.097 -0.057 2 1 406 . 1 1 A 34 34 ASP C C 34 173.740 175.075 -1.335 2 1 407 . 1 1 A 34 34 ASP CA C 34 53.104 52.915 0.189 2 1 408 . 1 1 A 34 34 ASP CB C 34 44.290 43.313 0.977 2 1 409 . 1 1 A 34 34 ASP N N 34 121.430 123.659 -2.229 2 1 410 . 1 1 A 35 35 TYR H H 35 8.849 8.888 -0.039 2 1 411 . 1 1 A 35 35 TYR HA H 35 4.660 5.105 -0.445 2 1 418 . 1 1 A 35 35 TYR C C 35 174.450 174.918 -0.468 2 1 419 . 1 1 A 35 35 TYR CA C 35 57.177 57.507 -0.330 2 1 420 . 1 1 A 35 35 TYR CB C 35 40.955 39.837 1.118 2 1 425 . 1 1 A 35 35 TYR N N 35 116.670 120.527 -3.857 2 1 426 . 1 1 A 36 36 GLU H H 36 9.144 9.031 0.113 2 1 427 . 1 1 A 36 36 GLU HA H 36 4.615 4.776 -0.161 2 1 432 . 1 1 A 36 36 GLU C C 36 175.850 174.396 1.454 2 1 433 . 1 1 A 36 36 GLU CA C 36 55.700 55.250 0.450 2 1 434 . 1 1 A 36 36 GLU CB C 36 32.541 31.791 0.750 2 1 436 . 1 1 A 36 36 GLU N N 36 122.490 124.142 -1.652 2 1 437 . 1 1 A 37 37 TYR H H 37 8.598 8.915 -0.317 2 1 438 . 1 1 A 37 37 TYR HA H 37 4.090 4.845 -0.755 2 1 445 . 1 1 A 37 37 TYR C C 37 174.140 174.024 0.116 2 1 446 . 1 1 A 37 37 TYR CA C 37 58.399 56.197 2.202 2 1 447 . 1 1 A 37 37 TYR CB C 37 41.690 39.198 2.492 2 1 452 . 1 1 A 37 37 TYR N N 37 122.480 125.924 -3.444 2 1 453 . 1 1 A 38 38 LYS H H 38 8.410 8.810 -0.400 2 1 454 . 1 1 A 38 38 LYS HA H 38 5.080 4.815 0.265 2 1 463 . 1 1 A 38 38 LYS C C 38 174.980 175.299 -0.319 2 1 464 . 1 1 A 38 38 LYS CA C 38 56.133 55.167 0.966 2 1 465 . 1 1 A 38 38 LYS CB C 38 33.525 33.595 -0.070 2 1 469 . 1 1 A 38 38 LYS N N 38 124.250 126.040 -1.790 2 1 470 . 1 1 A 39 39 LEU H H 39 8.555 8.841 -0.286 2 1 471 . 1 1 A 39 39 LEU HA H 39 4.865 4.976 -0.111 2 1 480 . 1 1 A 39 39 LEU C C 39 175.120 175.378 -0.258 2 1 481 . 1 1 A 39 39 LEU CA C 39 53.316 53.423 -0.107 2 1 482 . 1 1 A 39 39 LEU CB C 39 47.338 45.202 2.136 2 1 485 . 1 1 A 39 39 LEU N N 39 124.840 124.744 0.096 2 1 486 . 1 1 A 40 40 THR H H 40 8.615 8.622 -0.007 2 1 487 . 1 1 A 40 40 THR HA H 40 4.410 4.710 -0.300 2 1 492 . 1 1 A 40 40 THR C C 40 173.360 174.121 -0.761 2 1 493 . 1 1 A 40 40 THR CA C 40 63.200 60.978 2.222 2 1 494 . 1 1 A 40 40 THR CB C 40 69.100 69.645 -0.545 2 1 496 . 1 1 A 40 40 THR N N 40 118.390 117.217 1.173 2 1 497 . 1 1 A 41 41 GLY H H 41 8.545 8.951 -0.406 2 1 498 . 1 1 A 41 41 GLY HA2 H 41 3.030 3.915 -0.885 2 1 499 . 1 1 A 41 41 GLY HA3 H 41 4.910 4.115 0.795 2 1 500 . 1 1 A 41 41 GLY C C 41 171.375 172.334 -0.959 2 1 501 . 1 1 A 41 41 GLY CA C 41 43.963 44.755 -0.792 2 1 502 . 1 1 A 41 41 GLY N N 41 113.500 114.145 -0.645 2 1 503 . 1 1 A 42 42 PHE H H 42 8.650 8.859 -0.209 2 1 504 . 1 1 A 42 42 PHE HA H 42 5.910 5.451 0.459 2 1 512 . 1 1 A 42 42 PHE C C 42 176.670 175.057 1.613 2 1 513 . 1 1 A 42 42 PHE CA C 42 56.260 57.267 -1.007 2 1 514 . 1 1 A 42 42 PHE CB C 42 44.750 40.928 3.822 2 1 520 . 1 1 A 42 42 PHE N N 42 113.300 122.985 -9.685 2 1 521 . 1 1 A 43 43 ASP H H 43 9.040 8.847 0.193 2 1 522 . 1 1 A 43 43 ASP HA H 43 5.100 4.801 0.299 2 1 525 . 1 1 A 43 43 ASP C C 43 177.790 176.749 1.041 2 1 526 . 1 1 A 43 43 ASP CA C 43 51.990 53.741 -1.751 2 1 527 . 1 1 A 43 43 ASP CB C 43 41.660 42.674 -1.014 2 1 528 . 1 1 A 43 43 ASP N N 43 123.450 123.652 -0.202 2 1 529 . 1 1 A 44 44 LYS H H 44 8.689 8.862 -0.173 2 1 530 . 1 1 A 44 44 LYS HA H 44 3.920 4.047 -0.127 2 1 539 . 1 1 A 44 44 LYS C C 44 175.450 176.795 -1.345 2 1 540 . 1 1 A 44 44 LYS CA C 44 58.730 58.827 -0.097 2 1 541 . 1 1 A 44 44 LYS CB C 44 31.707 31.962 -0.255 2 1 545 . 1 1 A 44 44 LYS N N 44 113.360 123.722 -10.362 2 1 546 . 1 1 A 45 45 ASP H H 45 8.178 8.084 0.094 2 1 547 . 1 1 A 45 45 ASP HA H 45 4.930 4.687 0.243 2 1 550 . 1 1 A 45 45 ASP C C 45 176.710 176.441 0.269 2 1 551 . 1 1 A 45 45 ASP CA C 45 54.501 54.399 0.102 2 1 552 . 1 1 A 45 45 ASP CB C 45 42.260 41.484 0.776 2 1 553 . 1 1 A 45 45 ASP N N 45 119.050 118.025 1.024 2 1 554 . 1 1 A 46 46 GLY H H 46 8.853 8.148 0.705 2 1 555 . 1 1 A 46 46 GLY HA2 H 46 4.120 4.038 0.082 2 1 556 . 1 1 A 46 46 GLY HA3 H 46 3.350 4.081 -0.731 2 1 557 . 1 1 A 46 46 GLY C C 46 173.020 174.327 -1.307 2 1 558 . 1 1 A 46 46 GLY CA C 46 45.510 45.766 -0.256 2 1 559 . 1 1 A 46 46 GLY N N 46 110.250 107.637 2.613 2 1 560 . 1 1 A 47 47 LYS H H 47 8.640 7.792 0.848 2 1 561 . 1 1 A 47 47 LYS HA H 47 4.320 4.593 -0.274 2 1 570 . 1 1 A 47 47 LYS C C 47 176.180 175.726 0.454 2 1 571 . 1 1 A 47 47 LYS CA C 47 57.200 55.334 1.866 2 1 572 . 1 1 A 47 47 LYS CB C 47 32.300 34.368 -2.068 2 1 576 . 1 1 A 47 47 LYS N N 47 123.450 119.617 3.833 2 1 577 . 1 1 A 48 48 GLU H H 48 8.510 8.725 -0.215 2 1 578 . 1 1 A 48 48 GLU HA H 48 4.914 4.896 0.018 2 1 583 . 1 1 A 48 48 GLU C C 48 176.545 175.002 1.543 2 1 584 . 1 1 A 48 48 GLU CA C 48 55.540 55.124 0.416 2 1 585 . 1 1 A 48 48 GLU CB C 48 32.850 31.560 1.290 2 1 587 . 1 1 A 48 48 GLU N N 48 123.300 120.456 2.844 2 1 588 . 1 1 A 49 49 LYS H H 49 8.304 8.587 -0.283 2 1 589 . 1 1 A 49 49 LYS HA H 49 4.080 4.761 -0.681 2 1 598 . 1 1 A 49 49 LYS C C 49 173.870 174.927 -1.057 2 1 599 . 1 1 A 49 49 LYS CA C 49 54.797 54.855 -0.058 2 1 600 . 1 1 A 49 49 LYS CB C 49 36.248 35.408 0.840 2 1 604 . 1 1 A 49 49 LYS N N 49 123.450 123.551 -0.101 2 1 605 . 1 1 A 50 50 GLU H H 50 8.377 8.617 -0.240 2 1 606 . 1 1 A 50 50 GLU HA H 50 4.298 4.652 -0.354 2 1 611 . 1 1 A 50 50 GLU C C 50 175.090 175.584 -0.494 2 1 612 . 1 1 A 50 50 GLU CA C 50 56.950 55.949 1.001 2 1 613 . 1 1 A 50 50 GLU CB C 50 29.872 30.447 -0.575 2 1 615 . 1 1 A 50 50 GLU N N 50 127.100 125.423 1.677 2 1 616 . 1 1 A 51 51 LEU H H 51 8.934 9.083 -0.149 2 1 617 . 1 1 A 51 51 LEU HA H 51 4.517 5.033 -0.516 2 1 627 . 1 1 A 51 51 LEU C C 51 174.890 175.510 -0.620 2 1 628 . 1 1 A 51 51 LEU CA C 51 53.817 53.569 0.248 2 1 629 . 1 1 A 51 51 LEU CB C 51 45.254 44.333 0.921 2 1 633 . 1 1 A 51 51 LEU N N 51 127.790 126.660 1.130 2 1 634 . 1 1 A 52 52 GLU H H 52 8.360 8.961 -0.601 2 1 635 . 1 1 A 52 52 GLU HA H 52 5.417 5.378 0.039 2 1 640 . 1 1 A 52 52 GLU C C 52 174.890 175.170 -0.280 2 1 641 . 1 1 A 52 52 GLU CA C 52 54.519 55.016 -0.497 2 1 642 . 1 1 A 52 52 GLU CB C 52 32.500 32.556 -0.056 2 1 644 . 1 1 A 52 52 GLU N N 52 121.180 121.788 -0.608 2 1 645 . 1 1 A 53 53 PHE H H 53 8.465 8.483 -0.018 2 1 646 . 1 1 A 53 53 PHE HA H 53 5.130 5.505 -0.375 2 1 654 . 1 1 A 53 53 PHE C C 53 172.660 173.184 -0.524 2 1 655 . 1 1 A 53 53 PHE CA C 53 56.508 55.819 0.689 2 1 656 . 1 1 A 53 53 PHE CB C 53 40.095 41.961 -1.866 2 1 662 . 1 1 A 53 53 PHE N N 53 118.940 119.121 -0.180 2 1 663 . 1 1 A 54 54 THR H H 54 8.622 9.086 -0.464 2 1 664 . 1 1 A 54 54 THR HA H 54 5.530 5.465 0.065 2 1 669 . 1 1 A 54 54 THR C C 54 173.470 174.135 -0.665 2 1 670 . 1 1 A 54 54 THR CA C 54 60.148 60.380 -0.232 2 1 671 . 1 1 A 54 54 THR CB C 54 71.820 70.716 1.103 2 1 673 . 1 1 A 54 54 THR N N 54 112.280 112.688 -0.408 2 1 674 . 1 1 A 55 55 ALA H H 55 9.710 8.990 0.720 2 1 675 . 1 1 A 55 55 ALA HA H 55 5.354 5.104 0.250 2 1 679 . 1 1 A 55 55 ALA C C 55 176.720 178.108 -1.388 2 1 680 . 1 1 A 55 55 ALA CA C 55 50.568 50.796 -0.228 2 1 681 . 1 1 A 55 55 ALA CB C 55 24.180 22.009 2.171 2 1 682 . 1 1 A 55 55 ALA N N 55 126.340 126.623 -0.283 2 1 683 . 1 1 A 56 56 GLN H H 56 9.130 8.981 0.149 2 1 684 . 1 1 A 56 56 GLN HA H 56 5.030 4.379 0.651 2 1 691 . 1 1 A 56 56 GLN C C 56 174.960 175.705 -0.745 2 1 692 . 1 1 A 56 56 GLN CA C 56 56.820 57.529 -0.709 2 1 693 . 1 1 A 56 56 GLN CB C 56 29.180 29.357 -0.177 2 1 695 . 1 1 A 56 56 GLN N N 56 118.540 120.099 -1.558 2 1 697 . 1 1 A 57 57 LYS H H 57 7.656 7.810 -0.154 2 1 698 . 1 1 A 57 57 LYS HA H 57 4.360 4.876 -0.516 2 1 707 . 1 1 A 57 57 LYS C C 57 172.490 174.966 -2.476 2 1 708 . 1 1 A 57 57 LYS CA C 57 54.351 54.901 -0.550 2 1 709 . 1 1 A 57 57 LYS CB C 57 35.360 36.229 -0.869 2 1 713 . 1 1 A 57 57 LYS N N 57 116.270 118.120 -1.850 2 1 714 . 1 1 A 58 58 ASN H H 58 7.709 8.514 -0.805 2 1 715 . 1 1 A 58 58 ASN HA H 58 4.000 5.098 -1.098 2 1 720 . 1 1 A 58 58 ASN C C 58 175.490 175.332 0.158 2 1 721 . 1 1 A 58 58 ASN CA C 58 53.498 53.081 0.416 2 1 722 . 1 1 A 58 58 ASN CB C 58 38.538 38.778 -0.239 2 1 723 . 1 1 A 58 58 ASN N N 58 117.960 121.113 -3.153 2 1 725 . 1 1 A 59 59 LEU H H 59 7.940 8.711 -0.771 2 1 726 . 1 1 A 59 59 LEU HA H 59 3.950 4.547 -0.597 2 1 736 . 1 1 A 59 59 LEU C C 59 176.410 176.652 -0.242 2 1 737 . 1 1 A 59 59 LEU CA C 59 54.550 54.344 0.206 2 1 738 . 1 1 A 59 59 LEU CB C 59 42.370 42.904 -0.534 2 1 742 . 1 1 A 59 59 LEU N N 59 128.190 123.637 4.553 2 1 743 . 1 1 A 60 60 ARG H H 60 8.355 8.193 0.162 2 1 744 . 1 1 A 60 60 ARG HA H 60 3.870 4.477 -0.607 2 1 752 . 1 1 A 60 60 ARG C C 60 175.350 175.923 -0.573 2 1 753 . 1 1 A 60 60 ARG CA C 60 56.695 55.749 0.946 2 1 754 . 1 1 A 60 60 ARG CB C 60 31.290 31.519 -0.229 2 1 757 . 1 1 A 60 60 ARG N N 60 123.759 119.391 4.368 2 1 759 . 1 1 A 61 61 LYS H H 61 8.178 8.611 -0.433 2 1 760 . 1 1 A 61 61 LYS HA H 61 3.680 4.304 -0.624 2 1 769 . 1 1 A 61 61 LYS C C 61 177.290 176.681 0.609 2 1 770 . 1 1 A 61 61 LYS CA C 61 58.733 56.791 1.942 2 1 771 . 1 1 A 61 61 LYS CB C 61 31.564 33.198 -1.634 2 1 775 . 1 1 A 61 61 LYS N N 61 125.600 123.547 2.053 2 1 776 . 1 1 A 62 62 GLU H H 62 8.949 8.569 0.380 2 1 777 . 1 1 A 62 62 GLU HA H 62 3.340 4.086 -0.746 2 1 782 . 1 1 A 62 62 GLU C C 62 176.170 175.586 0.584 2 1 783 . 1 1 A 62 62 GLU CA C 62 59.156 57.515 1.641 2 1 784 . 1 1 A 62 62 GLU CB C 62 28.040 29.257 -1.217 2 1 786 . 1 1 A 62 62 GLU N N 62 112.860 118.850 -5.990 2 1 787 . 1 1 A 63 63 ALA H H 63 7.604 7.579 0.025 2 1 788 . 1 1 A 63 63 ALA HA H 63 4.020 4.570 -0.550 2 1 792 . 1 1 A 63 63 ALA C C 63 175.530 176.509 -0.979 2 1 793 . 1 1 A 63 63 ALA CA C 63 53.074 51.657 1.417 2 1 794 . 1 1 A 63 63 ALA CB C 63 19.323 20.994 -1.671 2 1 795 . 1 1 A 63 63 ALA N N 63 122.700 123.204 -0.504 2 1 796 . 1 1 A 64 64 PHE H H 64 8.876 8.859 0.017 2 1 797 . 1 1 A 64 64 PHE HA H 64 5.470 5.433 0.037 2 1 802 . 1 1 A 64 64 PHE C C 64 175.480 175.141 0.339 2 1 803 . 1 1 A 64 64 PHE CA C 64 56.780 56.848 -0.068 2 1 804 . 1 1 A 64 64 PHE CB C 64 41.566 41.337 0.229 2 1 807 . 1 1 A 64 64 PHE N N 64 118.670 118.286 0.384 2 1 808 . 1 1 A 65 65 LEU H H 65 8.870 9.264 -0.394 2 1 809 . 1 1 A 65 65 LEU HA H 65 5.390 5.223 0.167 2 1 819 . 1 1 A 65 65 LEU C C 65 176.030 175.384 0.646 2 1 820 . 1 1 A 65 65 LEU CA C 65 52.926 53.872 -0.946 2 1 821 . 1 1 A 65 65 LEU CB C 65 45.561 44.517 1.044 2 1 825 . 1 1 A 65 65 LEU N N 65 118.700 123.014 -4.314 2 1 826 . 1 1 A 66 66 ARG H H 66 9.031 9.006 0.025 2 1 827 . 1 1 A 66 66 ARG HA H 66 4.345 4.549 -0.204 2 1 835 . 1 1 A 66 66 ARG C C 66 174.220 175.213 -0.993 2 1 836 . 1 1 A 66 66 ARG CA C 66 54.957 55.722 -0.765 2 1 837 . 1 1 A 66 66 ARG CB C 66 32.885 30.115 2.770 2 1 840 . 1 1 A 66 66 ARG N N 66 121.590 125.738 -4.148 2 1 842 . 1 1 A 67 67 VAL H H 67 9.359 8.482 0.877 2 1 843 . 1 1 A 67 67 VAL HA H 67 4.400 4.558 -0.158 2 1 851 . 1 1 A 67 67 VAL C C 67 174.070 174.677 -0.607 2 1 852 . 1 1 A 67 67 VAL CA C 67 60.910 61.582 -0.672 2 1 853 . 1 1 A 67 67 VAL CB C 67 33.960 32.727 1.233 2 1 856 . 1 1 A 67 67 VAL N N 67 126.230 123.654 2.576 2 1 857 . 1 1 A 68 68 TYR H H 68 8.710 9.048 -0.338 2 1 858 . 1 1 A 68 68 TYR HA H 68 5.070 4.869 0.201 2 1 865 . 1 1 A 68 68 TYR C C 68 175.390 174.527 0.863 2 1 866 . 1 1 A 68 68 TYR CA C 68 57.290 57.332 -0.042 2 1 867 . 1 1 A 68 68 TYR CB C 68 38.690 39.253 -0.563 2 1 872 . 1 1 A 68 68 TYR N N 68 125.200 127.707 -2.507 2 1 873 . 1 1 A 69 69 HIS H H 69 9.224 8.779 0.445 2 1 874 . 1 1 A 69 69 HIS HA H 69 5.200 5.069 0.131 2 1 879 . 1 1 A 69 69 HIS C C 69 173.600 173.726 -0.126 2 1 880 . 1 1 A 69 69 HIS CA C 69 56.502 55.001 1.501 2 1 881 . 1 1 A 69 69 HIS CB C 69 35.873 30.920 4.953 2 1 884 . 1 1 A 69 69 HIS N N 69 124.780 128.904 -4.124 2 1 885 . 1 1 A 70 70 SER H H 70 7.425 8.476 -1.051 2 1 886 . 1 1 A 70 70 SER HA H 70 4.800 4.580 0.220 2 1 889 . 1 1 A 70 70 SER C C 70 173.790 174.361 -0.571 2 1 890 . 1 1 A 70 70 SER CA C 70 56.840 56.883 -0.042 2 1 891 . 1 1 A 70 70 SER CB C 70 66.500 65.352 1.148 2 1 892 . 1 1 A 70 70 SER N N 70 118.910 121.763 -2.853 2 1 893 . 1 1 A 71 71 ASP H H 71 9.020 8.927 0.093 2 1 894 . 1 1 A 71 71 ASP HA H 71 4.390 4.305 0.085 2 1 897 . 1 1 A 71 71 ASP C C 71 178.030 177.695 0.335 2 1 898 . 1 1 A 71 71 ASP CA C 71 57.220 56.909 0.311 2 1 899 . 1 1 A 71 71 ASP CB C 71 40.622 40.440 0.182 2 1 900 . 1 1 A 71 71 ASP N N 71 123.340 124.161 -0.821 2 1 901 . 1 1 A 72 72 LYS H H 72 8.220 7.902 0.318 2 1 902 . 1 1 A 72 72 LYS HA H 72 4.123 4.179 -0.056 2 1 911 . 1 1 A 72 72 LYS C C 72 177.560 177.157 0.403 2 1 912 . 1 1 A 72 72 LYS CA C 72 58.383 58.082 0.301 2 1 913 . 1 1 A 72 72 LYS CB C 72 32.778 32.347 0.431 2 1 917 . 1 1 A 72 72 LYS N N 72 116.640 117.740 -1.101 2 1 918 . 1 1 A 73 73 LYS H H 73 7.367 7.809 -0.442 2 1 919 . 1 1 A 73 73 LYS HA H 73 4.449 4.426 0.023 2 1 928 . 1 1 A 73 73 LYS C C 73 176.750 176.810 -0.060 2 1 929 . 1 1 A 73 73 LYS CA C 73 55.614 56.272 -0.658 2 1 930 . 1 1 A 73 73 LYS CB C 73 33.910 33.451 0.459 2 1 934 . 1 1 A 73 73 LYS N N 73 115.780 117.741 -1.961 2 1 935 . 1 1 A 74 74 GLY H H 74 8.240 8.454 -0.214 2 1 936 . 1 1 A 74 74 GLY HA2 H 74 3.630 3.894 -0.264 2 1 937 . 1 1 A 74 74 GLY HA3 H 74 4.240 3.946 0.294 2 1 938 . 1 1 A 74 74 GLY C C 74 174.817 174.012 0.805 2 1 939 . 1 1 A 74 74 GLY CA C 74 45.075 46.492 -1.417 2 1 940 . 1 1 A 74 74 GLY N N 74 110.370 108.907 1.463 2 1 941 . 1 1 A 75 75 VAL H H 75 9.140 8.092 1.048 2 1 942 . 1 1 A 75 75 VAL HA H 75 4.640 4.586 0.054 2 1 950 . 1 1 A 75 75 VAL C C 75 177.000 175.344 1.656 2 1 951 . 1 1 A 75 75 VAL CA C 75 63.550 61.806 1.744 2 1 952 . 1 1 A 75 75 VAL CB C 75 32.237 33.038 -0.801 2 1 955 . 1 1 A 75 75 VAL N N 75 124.300 119.814 4.486 2 1 956 . 1 1 A 76 76 SER H H 76 9.020 8.816 0.204 2 1 957 . 1 1 A 76 76 SER HA H 76 4.640 4.598 0.042 2 1 960 . 1 1 A 76 76 SER C C 76 174.250 173.987 0.263 2 1 961 . 1 1 A 76 76 SER CA C 76 58.440 59.716 -1.276 2 1 962 . 1 1 A 76 76 SER CB C 76 64.550 64.689 -0.139 2 1 963 . 1 1 A 76 76 SER N N 76 122.490 121.192 1.298 2 1 964 . 1 1 A 77 77 ALA H H 77 7.890 7.709 0.181 2 1 965 . 1 1 A 77 77 ALA HA H 77 4.420 4.584 -0.164 2 1 969 . 1 1 A 77 77 ALA C C 77 174.430 175.425 -0.995 2 1 970 . 1 1 A 77 77 ALA CA C 77 51.940 51.264 0.676 2 1 971 . 1 1 A 77 77 ALA CB C 77 22.234 22.341 -0.107 2 1 972 . 1 1 A 77 77 ALA N N 77 122.930 119.918 3.012 2 1 973 . 1 1 A 78 78 TRP H H 78 7.776 8.352 -0.576 2 1 974 . 1 1 A 78 78 TRP HA H 78 5.690 5.609 0.081 2 1 982 . 1 1 A 78 78 TRP C C 78 174.450 173.501 0.949 2 1 983 . 1 1 A 78 78 TRP CA C 78 55.899 55.478 0.421 2 1 984 . 1 1 A 78 78 TRP CB C 78 32.602 32.205 0.397 2 1 989 . 1 1 A 78 78 TRP N N 78 114.705 117.115 -2.409 2 1 991 . 1 1 A 79 79 GLU H H 79 9.210 8.718 0.492 2 1 992 . 1 1 A 79 79 GLU HA H 79 4.730 5.020 -0.290 2 1 997 . 1 1 A 79 79 GLU C C 79 174.130 174.976 -0.846 2 1 998 . 1 1 A 79 79 GLU CA C 79 54.939 54.754 0.185 2 1 999 . 1 1 A 79 79 GLU CB C 79 31.656 33.215 -1.559 2 1 1001 . 1 1 A 79 79 GLU N N 79 114.860 120.785 -5.925 2 1 1002 . 1 1 A 80 80 GLU H H 80 9.120 8.799 0.321 2 1 1003 . 1 1 A 80 80 GLU HA H 80 5.030 4.898 0.132 2 1 1008 . 1 1 A 80 80 GLU C C 80 176.580 176.190 0.390 2 1 1009 . 1 1 A 80 80 GLU CA C 80 57.193 55.919 1.274 2 1 1010 . 1 1 A 80 80 GLU CB C 80 29.856 30.899 -1.043 2 1 1012 . 1 1 A 80 80 GLU N N 80 123.960 123.565 0.395 2 1 1013 . 1 1 A 81 81 VAL H H 81 8.694 9.160 -0.466 2 1 1014 . 1 1 A 81 81 VAL HA H 81 4.780 5.042 -0.262 2 1 1022 . 1 1 A 81 81 VAL C C 81 174.460 174.998 -0.538 2 1 1023 . 1 1 A 81 81 VAL CA C 81 58.927 59.339 -0.412 2 1 1024 . 1 1 A 81 81 VAL CB C 81 35.550 35.476 0.074 2 1 1027 . 1 1 A 81 81 VAL N N 81 118.990 120.386 -1.396 2 1 1028 . 1 1 A 82 82 LYS H H 82 8.708 8.627 0.081 2 1 1029 . 1 1 A 82 82 LYS HA H 82 4.580 4.777 -0.197 2 1 1038 . 1 1 A 82 82 LYS C C 82 178.380 177.794 0.586 2 1 1039 . 1 1 A 82 82 LYS CA C 82 55.212 54.988 0.224 2 1 1040 . 1 1 A 82 82 LYS CB C 82 33.689 34.317 -0.628 2 1 1044 . 1 1 A 82 82 LYS N N 82 120.850 122.095 -1.245 2 1 1045 . 1 1 A 83 83 LYS H H 83 8.870 9.015 -0.145 2 1 1046 . 1 1 A 83 83 LYS HA H 83 3.180 3.840 -0.660 2 1 1055 . 1 1 A 83 83 LYS C C 83 177.690 177.824 -0.134 2 1 1056 . 1 1 A 83 83 LYS CA C 83 59.370 58.805 0.565 2 1 1057 . 1 1 A 83 83 LYS CB C 83 32.209 32.004 0.205 2 1 1061 . 1 1 A 83 83 LYS N N 83 121.435 121.687 -0.252 2 1 1062 . 1 1 A 84 84 ASP H H 84 8.059 8.222 -0.163 2 1 1063 . 1 1 A 84 84 ASP HA H 84 4.220 4.422 -0.202 2 1 1066 . 1 1 A 84 84 ASP C C 84 177.100 177.926 -0.826 2 1 1067 . 1 1 A 84 84 ASP CA C 84 55.680 56.695 -1.015 2 1 1068 . 1 1 A 84 84 ASP CB C 84 40.392 40.620 -0.228 2 1 1069 . 1 1 A 84 84 ASP N N 84 112.520 119.700 -7.180 2 1 1070 . 1 1 A 85 85 GLU H H 85 7.686 7.789 -0.103 2 1 1071 . 1 1 A 85 85 GLU HA H 85 4.136 4.357 -0.221 2 1 1076 . 1 1 A 85 85 GLU C C 85 176.270 176.428 -0.158 2 1 1077 . 1 1 A 85 85 GLU CA C 85 56.133 56.779 -0.646 2 1 1078 . 1 1 A 85 85 GLU CB C 85 30.479 29.925 0.554 2 1 1080 . 1 1 A 85 85 GLU N N 85 116.930 116.444 0.486 2 1 1081 . 1 1 A 86 86 LEU H H 86 7.017 7.265 -0.248 2 1 1082 . 1 1 A 86 86 LEU HA H 86 3.710 4.332 -0.622 2 1 1092 . 1 1 A 86 86 LEU CA C 86 52.600 52.153 0.447 2 1 1093 . 1 1 A 86 86 LEU CB C 86 42.120 41.752 0.368 2 1 1097 . 1 1 A 86 86 LEU N N 86 119.530 122.393 -2.863 2 1 1098 . 1 1 A 87 87 PRO HA H 87 4.330 4.521 -0.191 2 1 1105 . 1 1 A 87 87 PRO C C 87 176.940 177.472 -0.532 2 1 1106 . 1 1 A 87 87 PRO CA C 87 62.400 62.689 -0.289 2 1 1107 . 1 1 A 87 87 PRO CB C 87 32.537 32.496 0.041 2 1 1110 . 1 1 A 88 88 ALA H H 88 8.943 8.652 0.291 2 1 1111 . 1 1 A 88 88 ALA HA H 88 3.780 3.979 -0.199 2 1 1115 . 1 1 A 88 88 ALA C C 88 180.520 179.695 0.825 2 1 1116 . 1 1 A 88 88 ALA CA C 88 56.911 55.084 1.827 2 1 1117 . 1 1 A 88 88 ALA CB C 88 18.502 18.179 0.323 2 1 1118 . 1 1 A 88 88 ALA N N 88 128.160 126.752 1.408 2 1 1119 . 1 1 A 89 89 LYS H H 89 9.270 8.035 1.235 2 1 1120 . 1 1 A 89 89 LYS HA H 89 3.990 4.018 -0.028 2 1 1129 . 1 1 A 89 89 LYS C C 89 179.070 178.984 0.086 2 1 1130 . 1 1 A 89 89 LYS CA C 89 58.648 59.024 -0.376 2 1 1131 . 1 1 A 89 89 LYS CB C 89 31.962 32.257 -0.295 2 1 1135 . 1 1 A 89 89 LYS N N 89 115.610 117.780 -2.170 2 1 1136 . 1 1 A 90 90 VAL H H 90 6.846 7.787 -0.941 2 1 1137 . 1 1 A 90 90 VAL HA H 90 3.230 3.624 -0.394 2 1 1145 . 1 1 A 90 90 VAL C C 90 177.100 177.907 -0.807 2 1 1146 . 1 1 A 90 90 VAL CA C 90 65.870 65.852 0.018 2 1 1147 . 1 1 A 90 90 VAL CB C 90 30.880 31.464 -0.584 2 1 1150 . 1 1 A 90 90 VAL N N 90 117.560 119.300 -1.740 2 1 1151 . 1 1 A 91 91 LYS H H 91 7.850 7.874 -0.024 2 1 1152 . 1 1 A 91 91 LYS HA H 91 3.430 4.035 -0.605 2 1 1161 . 1 1 A 91 91 LYS C C 91 178.420 178.968 -0.547 2 1 1162 . 1 1 A 91 91 LYS CA C 91 61.028 58.980 2.048 2 1 1163 . 1 1 A 91 91 LYS CB C 91 32.387 32.011 0.376 2 1 1167 . 1 1 A 91 91 LYS N N 91 118.750 120.085 -1.335 2 1 1168 . 1 1 A 92 92 GLU H H 92 7.282 8.044 -0.762 2 1 1169 . 1 1 A 92 92 GLU HA H 92 3.990 4.120 -0.130 2 1 1174 . 1 1 A 92 92 GLU C C 92 179.380 178.367 1.013 2 1 1175 . 1 1 A 92 92 GLU CA C 92 59.030 58.819 0.211 2 1 1176 . 1 1 A 92 92 GLU CB C 92 29.841 29.503 0.338 2 1 1178 . 1 1 A 92 92 GLU N N 92 115.375 119.212 -3.837 2 1 1179 . 1 1 A 93 93 LYS H H 93 7.343 7.670 -0.327 2 1 1180 . 1 1 A 93 93 LYS HA H 93 3.800 4.276 -0.476 2 1 1189 . 1 1 A 93 93 LYS C C 93 178.310 176.444 1.866 2 1 1190 . 1 1 A 93 93 LYS CA C 93 56.970 57.720 -0.750 2 1 1191 . 1 1 A 93 93 LYS CB C 93 30.740 33.301 -2.561 2 1 1195 . 1 1 A 93 93 LYS N N 93 118.370 118.300 0.070 2 1 1196 . 1 1 A 94 94 LEU H H 94 8.000 7.877 0.123 2 1 1197 . 1 1 A 94 94 LEU HA H 94 4.360 4.286 0.074 2 1 1207 . 1 1 A 94 94 LEU C C 94 177.350 176.939 0.411 2 1 1208 . 1 1 A 94 94 LEU CA C 94 54.765 55.168 -0.403 2 1 1209 . 1 1 A 94 94 LEU CB C 94 42.796 42.219 0.577 2 1 1213 . 1 1 A 94 94 LEU N N 94 115.600 119.385 -3.785 2 1 1214 . 1 1 A 95 95 GLY H H 95 7.601 8.622 -1.021 2 1 1215 . 1 1 A 95 95 GLY HA2 H 95 3.830 3.934 -0.104 2 1 1216 . 1 1 A 95 95 GLY HA3 H 95 3.950 3.950 0.000 2 1 1217 . 1 1 A 95 95 GLY C C 95 174.790 174.425 0.365 2 1 1218 . 1 1 A 95 95 GLY CA C 95 46.550 45.753 0.797 2 1 1219 . 1 1 A 95 95 GLY N N 95 108.540 112.725 -4.185 2 1 1220 . 1 1 A 96 96 VAL H H 96 7.957 7.739 0.218 2 1 1221 . 1 1 A 96 96 VAL HA H 96 3.940 4.224 -0.284 2 1 1229 . 1 1 A 96 96 VAL C C 96 175.540 175.369 0.172 2 1 1230 . 1 1 A 96 96 VAL CA C 96 62.314 61.612 0.702 2 1 1231 . 1 1 A 96 96 VAL CB C 96 32.155 32.925 -0.770 2 1 1234 . 1 1 A 96 96 VAL N N 96 119.490 119.572 -0.082 2 1 1235 . 1 1 A 97 97 LYS H H 97 8.293 8.597 -0.304 2 1 1236 . 1 1 A 97 97 LYS HA H 97 4.210 4.702 -0.492 2 1 1245 . 1 1 A 97 97 LYS C C 97 176.290 175.732 0.558 2 1 1246 . 1 1 A 97 97 LYS CA C 97 56.174 55.554 0.620 2 1 1247 . 1 1 A 97 97 LYS CB C 97 33.200 34.276 -1.076 2 1 1251 . 1 1 A 97 97 LYS N N 97 126.120 124.575 1.545 2 1 1252 . 1 1 A 98 98 LEU H H 98 8.315 8.380 -0.065 2 1 1253 . 1 1 A 98 98 LEU HA H 98 4.240 4.511 -0.271 2 1 1263 . 1 1 A 98 98 LEU C C 98 176.930 176.536 0.394 2 1 1264 . 1 1 A 98 98 LEU CA C 98 54.800 54.350 0.450 2 1 1265 . 1 1 A 98 98 LEU CB C 98 42.217 42.519 -0.302 2 1 1269 . 1 1 A 98 98 LEU N N 98 124.170 122.343 1.827 2 1 1270 . 1 1 A 99 99 GLU H H 99 8.375 8.731 -0.356 2 1 1271 . 1 1 A 99 99 GLU HA H 99 4.175 4.279 -0.103 2 1 1276 . 1 1 A 99 99 GLU C C 99 176.035 176.491 -0.456 2 1 1277 . 1 1 A 99 99 GLU CA C 99 56.352 57.740 -1.388 2 1 1278 . 1 1 A 99 99 GLU CB C 99 30.460 30.335 0.125 2 1 1280 . 1 1 A 99 99 GLU N N 99 122.010 122.931 -0.921 2 1 1281 . 1 1 A 100 100 HIS H H 100 8.350 7.953 0.397 2 1 1282 . 1 1 A 100 100 HIS HA H 100 4.565 4.504 0.061 2 1 1285 . 1 1 A 100 100 HIS C C 100 173.880 174.509 -0.629 2 1 1286 . 1 1 A 100 100 HIS CA C 100 56.050 56.412 -0.362 2 1 1287 . 1 1 A 100 100 HIS CB C 100 30.144 29.580 0.564 2 1 1288 . 1 1 A 100 100 HIS N N 100 120.245 118.063 2.182 2 1 1289 . 1 1 A 101 101 HIS H H 101 8.134 8.436 -0.302 2 1 1290 . 1 1 A 101 101 HIS HA H 101 4.410 4.691 -0.281 2 1 1293 . 1 1 A 101 101 HIS CA C 101 57.290 55.776 1.514 2 1 1294 . 1 1 A 101 101 HIS CB C 101 31.450 30.479 0.971 2 stop_ save_