data_10164_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10164
_Entry.PDB_ID 2EEE
_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 5 5 SER CA C 5 58.376 56.474 1.902 1
1 2 . 1 1 1 A 5 5 SER HA H 5 4.528 5.067 -0.539 1
1 3 . 1 1 1 A 5 5 SER CB C 5 63.813 64.468 -0.655 1
1 5 . 1 1 1 A 5 5 SER C C 5 174.968 172.751 2.217 1
1 6 . 1 1 1 A 6 6 SER N N 6 117.996 123.988 -5.992 1
1 7 . 1 1 1 A 6 6 SER H H 6 8.503 8.847 -0.344 1
1 8 . 1 1 1 A 6 6 SER CA C 6 58.642 56.181 2.461 1
1 9 . 1 1 1 A 6 6 SER HA H 6 4.526 5.118 -0.592 1
1 10 . 1 1 1 A 6 6 SER CB C 6 63.855 66.179 -2.324 1
1 13 . 1 1 1 A 6 6 SER C C 6 175.129 173.573 1.556 1
1 14 . 1 1 1 A 7 7 GLY N N 7 110.904 113.276 -2.372 1
1 15 . 1 1 1 A 7 7 GLY H H 7 8.470 8.695 -0.225 1
1 16 . 1 1 1 A 7 7 GLY CA C 7 45.430 45.463 -0.033 1
1 17 . 1 1 1 A 7 7 GLY HA2 H 7 4.030 3.955 0.075 1
1 18 . 1 1 1 A 7 7 GLY HA3 H 7 4.030 3.956 0.074 1
1 19 . 1 1 1 A 7 7 GLY C C 7 174.606 175.188 -0.582 1
1 20 . 1 1 1 A 8 8 GLY N N 8 108.942 109.463 -0.521 1
1 21 . 1 1 1 A 8 8 GLY H H 8 8.286 8.737 -0.451 1
1 22 . 1 1 1 A 8 8 GLY CA C 8 45.058 46.618 -1.560 1
1 23 . 1 1 1 A 8 8 GLY HA2 H 8 4.027 3.873 0.154 1
1 24 . 1 1 1 A 8 8 GLY HA3 H 8 4.199 3.876 0.323 1
1 25 . 1 1 1 A 8 8 GLY C C 8 173.943 175.017 -1.074 1
1 26 . 1 1 1 A 9 9 SER N N 9 115.435 117.082 -1.647 1
1 27 . 1 1 1 A 9 9 SER H H 9 8.275 8.465 -0.190 1
1 28 . 1 1 1 A 9 9 SER CA C 9 57.847 58.920 -1.073 1
1 29 . 1 1 1 A 9 9 SER HA H 9 4.616 4.113 0.503 1
1 30 . 1 1 1 A 9 9 SER CB C 9 64.102 62.059 2.043 1
1 33 . 1 1 1 A 9 9 SER C C 9 174.962 174.363 0.599 1
1 34 . 1 1 1 A 10 10 ARG N N 10 126.156 118.362 7.794 1
1 35 . 1 1 1 A 10 10 ARG H H 10 9.427 7.972 1.455 1
1 36 . 1 1 1 A 10 10 ARG CA C 10 56.662 57.486 -0.824 1
1 37 . 1 1 1 A 10 10 ARG HA H 10 4.332 4.214 0.118 1
1 38 . 1 1 1 A 10 10 ARG CB C 10 30.289 29.968 0.321 1
1 49 . 1 1 1 A 10 10 ARG C C 10 175.504 176.431 -0.927 1
1 50 . 1 1 1 A 11 11 ILE N N 11 119.127 121.061 -1.934 1
1 51 . 1 1 1 A 11 11 ILE H H 11 8.176 7.359 0.817 1
1 52 . 1 1 1 A 11 11 ILE CA C 11 61.153 61.274 -0.121 1
1 53 . 1 1 1 A 11 11 ILE HA H 11 4.553 3.919 0.634 1
1 54 . 1 1 1 A 11 11 ILE CB C 11 39.949 37.654 2.295 1
1 67 . 1 1 1 A 11 11 ILE C C 11 176.134 175.140 0.994 1
1 68 . 1 1 1 A 12 12 THR N N 12 124.682 123.505 1.177 1
1 69 . 1 1 1 A 12 12 THR H H 12 8.534 8.964 -0.430 1
1 70 . 1 1 1 A 12 12 THR CA C 12 61.630 61.390 0.240 1
1 71 . 1 1 1 A 12 12 THR HA H 12 4.359 4.721 -0.362 1
1 72 . 1 1 1 A 12 12 THR CB C 12 70.705 70.868 -0.163 1
1 78 . 1 1 1 A 12 12 THR C C 12 171.804 173.524 -1.720 1
1 79 . 1 1 1 A 13 13 TYR N N 13 124.043 125.785 -1.742 1
1 80 . 1 1 1 A 13 13 TYR H H 13 8.691 8.640 0.051 1
1 81 . 1 1 1 A 13 13 TYR CA C 13 57.846 57.315 0.531 1
1 82 . 1 1 1 A 13 13 TYR HA H 13 5.099 5.372 -0.273 1
1 83 . 1 1 1 A 13 13 TYR CB C 13 39.895 40.418 -0.523 1
1 94 . 1 1 1 A 13 13 TYR C C 13 175.924 175.258 0.666 1
1 95 . 1 1 1 A 14 14 VAL N N 14 124.012 122.141 1.871 1
1 96 . 1 1 1 A 14 14 VAL H H 14 8.633 8.922 -0.289 1
1 97 . 1 1 1 A 14 14 VAL CA C 14 60.958 59.920 1.038 1
1 98 . 1 1 1 A 14 14 VAL HA H 14 4.015 4.762 -0.747 1
1 99 . 1 1 1 A 14 14 VAL CB C 14 35.416 34.966 0.450 1
1 109 . 1 1 1 A 14 14 VAL C C 14 173.974 173.661 0.313 1
1 110 . 1 1 1 A 15 15 LYS N N 15 127.960 125.965 1.995 1
1 111 . 1 1 1 A 15 15 LYS H H 15 8.318 8.754 -0.436 1
1 112 . 1 1 1 A 15 15 LYS CA C 15 54.152 54.884 -0.732 1
1 113 . 1 1 1 A 15 15 LYS HA H 15 5.126 5.021 0.105 1
1 114 . 1 1 1 A 15 15 LYS CB C 15 32.086 34.518 -2.432 1
1 126 . 1 1 1 A 15 15 LYS C C 15 176.050 175.180 0.870 1
1 127 . 1 1 1 A 16 16 GLY N N 16 114.545 112.616 1.929 1
1 128 . 1 1 1 A 16 16 GLY H H 16 8.508 8.265 0.243 1
1 129 . 1 1 1 A 16 16 GLY CA C 16 45.006 43.930 1.076 1
1 130 . 1 1 1 A 16 16 GLY HA2 H 16 4.028 4.100 -0.072 1
1 131 . 1 1 1 A 16 16 GLY HA3 H 16 4.197 4.125 0.072 1
1 132 . 1 1 1 A 16 16 GLY C C 16 170.957 173.005 -2.048 1
1 133 . 1 1 1 A 17 17 ASP N N 17 119.423 120.804 -1.381 1
1 134 . 1 1 1 A 17 17 ASP H H 17 8.271 8.661 -0.390 1
1 135 . 1 1 1 A 17 17 ASP CA C 17 53.164 55.220 -2.056 1
1 136 . 1 1 1 A 17 17 ASP HA H 17 4.407 4.420 -0.013 1
1 137 . 1 1 1 A 17 17 ASP CB C 17 41.912 41.671 0.241 1
1 140 . 1 1 1 A 17 17 ASP C C 17 176.089 176.036 0.053 1
1 141 . 1 1 1 A 18 18 LEU N N 18 130.056 124.113 5.943 1
1 142 . 1 1 1 A 18 18 LEU H H 18 8.304 8.564 -0.260 1
1 143 . 1 1 1 A 18 18 LEU CA C 18 57.156 54.833 2.323 1
1 144 . 1 1 1 A 18 18 LEU HA H 18 2.425 3.612 -1.187 1
1 145 . 1 1 1 A 18 18 LEU CB C 18 42.959 44.018 -1.059 1
1 158 . 1 1 1 A 18 18 LEU C C 18 175.737 177.671 -1.934 1
1 159 . 1 1 1 A 19 19 PHE N N 19 109.678 116.924 -7.246 1
1 160 . 1 1 1 A 19 19 PHE H H 19 7.461 7.382 0.079 1
1 161 . 1 1 1 A 19 19 PHE CA C 19 59.844 58.855 0.989 1
1 162 . 1 1 1 A 19 19 PHE HA H 19 3.920 4.409 -0.489 1
1 163 . 1 1 1 A 19 19 PHE CB C 19 36.735 40.607 -3.872 1
1 176 . 1 1 1 A 19 19 PHE C C 19 175.833 176.653 -0.820 1
1 177 . 1 1 1 A 20 20 ALA N N 20 123.506 121.977 1.529 1
1 178 . 1 1 1 A 20 20 ALA H H 20 7.752 7.764 -0.012 1
1 179 . 1 1 1 A 20 20 ALA CA C 20 51.160 53.075 -1.915 1
1 180 . 1 1 1 A 20 20 ALA HA H 20 4.518 4.254 0.264 1
1 181 . 1 1 1 A 20 20 ALA CB C 20 18.395 19.236 -0.841 1
1 185 . 1 1 1 A 20 20 ALA C C 20 176.772 179.826 -3.054 1
1 186 . 1 1 1 A 21 21 CYS N N 21 118.823 116.150 2.673 1
1 187 . 1 1 1 A 21 21 CYS H H 21 7.225 7.653 -0.428 1
1 188 . 1 1 1 A 21 21 CYS CA C 21 56.813 63.706 -6.893 1
1 189 . 1 1 1 A 21 21 CYS HA H 21 4.580 4.304 0.276 1
1 190 . 1 1 1 A 21 21 CYS CB C 21 25.916 27.671 -1.755 1
1 193 . 1 1 1 A 21 21 CYS C C 21 170.919 175.295 -4.376 1
1 194 . 1 1 1 A 22 22 PRO CA C 22 64.000 62.996 1.004 1
1 195 . 1 1 1 A 22 22 PRO HA H 22 4.373 4.549 -0.176 1
1 196 . 1 1 1 A 22 22 PRO CB C 22 31.802 32.081 -0.279 1
1 205 . 1 1 1 A 22 22 PRO C C 22 178.609 176.528 2.081 1
1 206 . 1 1 1 A 23 23 LYS N N 23 122.870 122.877 -0.007 1
1 207 . 1 1 1 A 23 23 LYS H H 23 8.785 8.841 -0.056 1
1 208 . 1 1 1 A 23 23 LYS CA C 23 58.671 57.281 1.390 1
1 209 . 1 1 1 A 23 23 LYS HA H 23 4.103 4.435 -0.332 1
1 210 . 1 1 1 A 23 23 LYS CB C 23 32.078 34.193 -2.115 1
1 222 . 1 1 1 A 23 23 LYS C C 23 175.722 177.582 -1.860 1
1 223 . 1 1 1 A 24 24 THR N N 24 102.744 105.937 -3.193 1
1 224 . 1 1 1 A 24 24 THR H H 24 7.097 7.526 -0.429 1
1 225 . 1 1 1 A 24 24 THR CA C 24 61.064 61.715 -0.651 1
1 226 . 1 1 1 A 24 24 THR HA H 24 4.166 4.575 -0.409 1
1 227 . 1 1 1 A 24 24 THR CB C 24 68.805 70.660 -1.855 1
1 233 . 1 1 1 A 24 24 THR C C 24 176.216 174.671 1.545 1
1 234 . 1 1 1 A 25 25 ASP N N 25 125.303 124.211 1.092 1
1 235 . 1 1 1 A 25 25 ASP H H 25 7.768 7.708 0.060 1
1 236 . 1 1 1 A 25 25 ASP CA C 25 55.246 54.798 0.448 1
1 237 . 1 1 1 A 25 25 ASP HA H 25 4.536 4.556 -0.020 1
1 238 . 1 1 1 A 25 25 ASP CB C 25 40.321 41.162 -0.841 1
1 241 . 1 1 1 A 25 25 ASP C C 25 177.718 175.749 1.969 1
1 242 . 1 1 1 A 26 26 SER N N 26 118.303 118.180 0.123 1
1 243 . 1 1 1 A 26 26 SER H H 26 8.472 8.617 -0.145 1
1 244 . 1 1 1 A 26 26 SER CA C 26 61.547 58.287 3.260 1
1 245 . 1 1 1 A 26 26 SER HA H 26 5.138 4.611 0.527 1
1 246 . 1 1 1 A 26 26 SER CB C 26 65.326 64.980 0.346 1
1 249 . 1 1 1 A 26 26 SER C C 26 172.446 173.710 -1.264 1
1 250 . 1 1 1 A 27 27 LEU N N 27 121.957 122.037 -0.080 1
1 251 . 1 1 1 A 27 27 LEU H H 27 8.553 8.161 0.392 1
1 252 . 1 1 1 A 27 27 LEU CA C 27 53.919 53.856 0.063 1
1 253 . 1 1 1 A 27 27 LEU HA H 27 6.004 5.583 0.421 1
1 254 . 1 1 1 A 27 27 LEU CB C 27 48.728 45.263 3.465 1
1 267 . 1 1 1 A 27 27 LEU C C 27 176.071 175.968 0.103 1
1 268 . 1 1 1 A 28 28 ALA N N 28 119.120 124.147 -5.027 1
1 269 . 1 1 1 A 28 28 ALA H H 28 8.083 8.521 -0.438 1
1 270 . 1 1 1 A 28 28 ALA CA C 28 50.738 51.217 -0.479 1
1 271 . 1 1 1 A 28 28 ALA HA H 28 5.833 5.293 0.540 1
1 272 . 1 1 1 A 28 28 ALA CB C 28 24.493 22.781 1.712 1
1 276 . 1 1 1 A 28 28 ALA C C 28 174.396 175.699 -1.303 1
1 277 . 1 1 1 A 29 29 HIS N N 29 111.296 116.195 -4.899 1
1 278 . 1 1 1 A 29 29 HIS H H 29 8.042 8.849 -0.807 1
1 279 . 1 1 1 A 29 29 HIS CA C 29 55.617 54.092 1.525 1
1 280 . 1 1 1 A 29 29 HIS HA H 29 4.552 5.257 -0.705 1
1 281 . 1 1 1 A 29 29 HIS CB C 29 31.644 31.520 0.124 1
1 288 . 1 1 1 A 29 29 HIS C C 29 172.453 172.216 0.237 1
1 289 . 1 1 1 A 30 30 CYS N N 30 115.842 117.414 -1.572 1
1 290 . 1 1 1 A 30 30 CYS H H 30 8.182 8.754 -0.572 1
1 291 . 1 1 1 A 30 30 CYS CA C 30 57.610 56.915 0.695 1
1 292 . 1 1 1 A 30 30 CYS HA H 30 5.489 5.620 -0.131 1
1 293 . 1 1 1 A 30 30 CYS CB C 30 30.518 30.251 0.267 1
1 296 . 1 1 1 A 30 30 CYS C C 30 175.085 173.742 1.343 1
1 297 . 1 1 1 A 31 31 ILE N N 31 117.447 120.225 -2.778 1
1 298 . 1 1 1 A 31 31 ILE H H 31 9.209 9.079 0.130 1
1 299 . 1 1 1 A 31 31 ILE CA C 31 60.057 58.546 1.511 1
1 300 . 1 1 1 A 31 31 ILE HA H 31 4.816 4.939 -0.123 1
1 301 . 1 1 1 A 31 31 ILE CB C 31 43.206 42.334 0.872 1
1 314 . 1 1 1 A 31 31 ILE C C 31 173.249 174.571 -1.322 1
1 315 . 1 1 1 A 32 32 SER N N 32 111.596 118.960 -7.364 1
1 316 . 1 1 1 A 32 32 SER H H 32 7.858 8.803 -0.945 1
1 317 . 1 1 1 A 32 32 SER CA C 32 55.599 57.430 -1.831 1
1 318 . 1 1 1 A 32 32 SER HA H 32 5.139 4.864 0.275 1
1 319 . 1 1 1 A 32 32 SER CB C 32 66.377 65.448 0.929 1
1 322 . 1 1 1 A 32 32 SER C C 32 176.120 175.421 0.699 1
1 323 . 1 1 1 A 33 33 GLU N N 33 118.525 124.399 -5.874 1
1 324 . 1 1 1 A 33 33 GLU H H 33 8.189 8.954 -0.765 1
1 325 . 1 1 1 A 33 33 GLU CA C 33 59.273 59.584 -0.311 1
1 326 . 1 1 1 A 33 33 GLU HA H 33 3.759 4.069 -0.310 1
1 327 . 1 1 1 A 33 33 GLU CB C 33 30.553 29.363 1.190 1
1 333 . 1 1 1 A 33 33 GLU C C 33 177.446 177.340 0.106 1
1 334 . 1 1 1 A 34 34 ASP N N 34 113.498 116.798 -3.300 1
1 335 . 1 1 1 A 34 34 ASP H H 34 7.480 7.475 0.005 1
1 336 . 1 1 1 A 34 34 ASP CA C 34 54.511 53.995 0.516 1
1 337 . 1 1 1 A 34 34 ASP HA H 34 4.342 4.766 -0.424 1
1 338 . 1 1 1 A 34 34 ASP CB C 34 40.374 40.813 -0.439 1
1 341 . 1 1 1 A 34 34 ASP C C 34 175.854 175.583 0.271 1
1 342 . 1 1 1 A 35 35 CYS N N 35 111.837 116.954 -5.117 1
1 343 . 1 1 1 A 35 35 CYS H H 35 8.327 7.881 0.446 1
1 344 . 1 1 1 A 35 35 CYS CA C 35 61.093 59.924 1.169 1
1 345 . 1 1 1 A 35 35 CYS HA H 35 3.772 4.176 -0.404 1
1 346 . 1 1 1 A 35 35 CYS CB C 35 25.679 25.523 0.156 1
1 349 . 1 1 1 A 35 35 CYS C C 35 173.370 174.422 -1.052 1
1 350 . 1 1 1 A 36 36 ARG N N 36 117.440 120.917 -3.477 1
1 351 . 1 1 1 A 36 36 ARG H H 36 7.473 8.232 -0.759 1
1 352 . 1 1 1 A 36 36 ARG CA C 36 57.988 55.227 2.761 1
1 353 . 1 1 1 A 36 36 ARG HA H 36 3.981 4.592 -0.611 1
1 354 . 1 1 1 A 36 36 ARG CB C 36 30.430 28.680 1.750 1
1 363 . 1 1 1 A 36 36 ARG C C 36 177.233 175.896 1.337 1
1 364 . 1 1 1 A 37 37 MET CA C 37 56.118 54.480 1.638 1
1 365 . 1 1 1 A 37 37 MET HA H 37 4.036 4.725 -0.689 1
1 373 . 1 1 1 A 38 38 GLY H H 38 8.192 8.479 -0.287 1
1 374 . 1 1 1 A 38 38 GLY CA C 38 45.670 45.780 -0.110 1
1 375 . 1 1 1 A 38 38 GLY HA2 H 38 4.220 4.158 0.062 1
1 376 . 1 1 1 A 38 38 GLY HA3 H 38 3.595 4.169 -0.574 1
1 377 . 1 1 1 A 38 38 GLY C C 38 173.799 173.310 0.489 1
1 378 . 1 1 1 A 39 39 ALA N N 39 122.002 121.212 0.790 1
1 379 . 1 1 1 A 39 39 ALA H H 39 7.697 7.794 -0.097 1
1 380 . 1 1 1 A 39 39 ALA CA C 39 51.019 51.773 -0.754 1
1 381 . 1 1 1 A 39 39 ALA HA H 39 4.678 4.655 0.023 1
1 382 . 1 1 1 A 39 39 ALA CB C 39 22.608 22.401 0.207 1
1 386 . 1 1 1 A 39 39 ALA C C 39 176.769 177.030 -0.261 1
1 387 . 1 1 1 A 40 40 GLY N N 40 107.149 110.822 -3.673 1
1 388 . 1 1 1 A 40 40 GLY H H 40 8.731 8.969 -0.238 1
1 389 . 1 1 1 A 40 40 GLY CA C 40 45.768 46.167 -0.399 1
1 390 . 1 1 1 A 40 40 GLY HA2 H 40 3.957 4.002 -0.045 1
1 391 . 1 1 1 A 40 40 GLY HA3 H 40 4.220 4.013 0.207 1
1 392 . 1 1 1 A 40 40 GLY C C 40 176.747 175.219 1.528 1
1 393 . 1 1 1 A 41 41 ILE CA C 41 63.397 63.270 0.127 1
1 394 . 1 1 1 A 41 41 ILE HA H 41 4.312 4.147 0.165 1
1 395 . 1 1 1 A 41 41 ILE CB C 41 38.794 37.850 0.944 1
1 408 . 1 1 1 A 41 41 ILE C C 41 177.249 178.151 -0.902 1
1 409 . 1 1 1 A 42 42 ALA N N 42 124.835 123.451 1.384 1
1 410 . 1 1 1 A 42 42 ALA H H 42 8.629 8.486 0.143 1
1 411 . 1 1 1 A 42 42 ALA CA C 42 55.599 55.410 0.189 1
1 412 . 1 1 1 A 42 42 ALA HA H 42 4.377 4.271 0.106 1
1 413 . 1 1 1 A 42 42 ALA CB C 42 18.155 18.440 -0.285 1
1 417 . 1 1 1 A 42 42 ALA C C 42 179.079 180.667 -1.588 1
1 418 . 1 1 1 A 43 43 VAL N N 43 116.015 119.069 -3.054 1
1 419 . 1 1 1 A 43 43 VAL H H 43 7.363 7.790 -0.427 1
1 420 . 1 1 1 A 43 43 VAL CA C 43 65.623 67.028 -1.405 1
1 421 . 1 1 1 A 43 43 VAL HA H 43 3.822 3.588 0.234 1
1 422 . 1 1 1 A 43 43 VAL CB C 43 32.408 31.522 0.886 1
1 432 . 1 1 1 A 43 43 VAL C C 43 178.285 177.920 0.365 1
1 433 . 1 1 1 A 44 44 LEU N N 44 119.736 119.810 -0.074 1
1 434 . 1 1 1 A 44 44 LEU H H 44 7.357 8.069 -0.712 1
1 435 . 1 1 1 A 44 44 LEU CA C 44 57.460 58.277 -0.817 1
1 436 . 1 1 1 A 44 44 LEU HA H 44 3.968 3.812 0.156 1
1 437 . 1 1 1 A 44 44 LEU CB C 44 41.234 41.721 -0.487 1
1 450 . 1 1 1 A 44 44 LEU C C 44 179.972 178.985 0.987 1
1 451 . 1 1 1 A 45 45 PHE N N 45 118.434 117.731 0.703 1
1 452 . 1 1 1 A 45 45 PHE H H 45 7.733 7.983 -0.250 1
1 453 . 1 1 1 A 45 45 PHE CA C 45 63.151 60.944 2.207 1
1 454 . 1 1 1 A 45 45 PHE HA H 45 4.009 4.150 -0.141 1
1 455 . 1 1 1 A 45 45 PHE CB C 45 39.883 38.981 0.902 1
1 468 . 1 1 1 A 45 45 PHE C C 45 180.448 178.225 2.223 1
1 469 . 1 1 1 A 46 46 LYS N N 46 124.749 119.535 5.214 1
1 470 . 1 1 1 A 46 46 LYS H H 46 8.819 7.984 0.835 1
1 471 . 1 1 1 A 46 46 LYS CA C 46 60.958 59.218 1.740 1
1 472 . 1 1 1 A 46 46 LYS HA H 46 4.160 3.795 0.365 1
1 473 . 1 1 1 A 46 46 LYS CB C 46 31.930 31.871 0.059 1
1 485 . 1 1 1 A 46 46 LYS C C 46 179.139 178.058 1.081 1
1 486 . 1 1 1 A 47 47 LYS N N 47 119.317 118.722 0.595 1
1 487 . 1 1 1 A 47 47 LYS H H 47 8.154 8.269 -0.115 1
1 488 . 1 1 1 A 47 47 LYS CA C 47 59.331 58.326 1.005 1
1 489 . 1 1 1 A 47 47 LYS HA H 47 3.939 4.178 -0.239 1
1 490 . 1 1 1 A 47 47 LYS CB C 47 33.065 33.038 0.027 1
1 502 . 1 1 1 A 47 47 LYS C C 47 178.108 178.788 -0.680 1
1 503 . 1 1 1 A 48 48 LYS N N 48 116.005 120.893 -4.888 1
1 504 . 1 1 1 A 48 48 LYS H H 48 7.976 8.202 -0.226 1
1 505 . 1 1 1 A 48 48 LYS CA C 48 58.650 59.208 -0.558 1
1 506 . 1 1 1 A 48 48 LYS HA H 48 3.684 3.927 -0.243 1
1 507 . 1 1 1 A 48 48 LYS CB C 48 32.372 31.830 0.542 1
1 519 . 1 1 1 A 48 48 LYS C C 48 178.213 178.399 -0.186 1
1 520 . 1 1 1 A 49 49 PHE N N 49 112.629 112.914 -0.285 1
1 521 . 1 1 1 A 49 49 PHE H H 49 7.658 7.947 -0.289 1
1 522 . 1 1 1 A 49 49 PHE CA C 49 56.958 57.474 -0.516 1
1 523 . 1 1 1 A 49 49 PHE HA H 49 5.028 4.719 0.309 1
1 524 . 1 1 1 A 49 49 PHE CB C 49 40.496 41.646 -1.150 1
1 537 . 1 1 1 A 49 49 PHE C C 49 176.188 176.743 -0.555 1
1 538 . 1 1 1 A 50 50 GLY N N 50 108.499 109.336 -0.837 1
1 539 . 1 1 1 A 50 50 GLY H H 50 7.821 7.060 0.761 1
1 540 . 1 1 1 A 50 50 GLY CA C 50 46.579 46.623 -0.044 1
1 541 . 1 1 1 A 50 50 GLY HA2 H 50 3.953 3.351 0.602 1
1 542 . 1 1 1 A 50 50 GLY HA3 H 50 3.953 3.628 0.325 1
1 543 . 1 1 1 A 50 50 GLY C C 50 174.288 175.343 -1.055 1
1 544 . 1 1 1 A 51 51 GLY N N 51 108.968 105.650 3.318 1
1 545 . 1 1 1 A 51 51 GLY H H 51 8.600 6.495 2.105 1
1 546 . 1 1 1 A 51 51 GLY CA C 51 46.597 45.722 0.875 1
1 547 . 1 1 1 A 51 51 GLY HA2 H 51 3.943 3.936 0.007 1
1 548 . 1 1 1 A 51 51 GLY HA3 H 51 4.047 4.132 -0.085 1
1 549 . 1 1 1 A 51 51 GLY C C 51 174.522 175.548 -1.026 1
1 550 . 1 1 1 A 52 52 VAL N N 52 118.929 119.056 -0.127 1
1 551 . 1 1 1 A 52 52 VAL H H 52 7.980 7.862 0.118 1
1 552 . 1 1 1 A 52 52 VAL CA C 52 68.080 65.542 2.538 1
1 553 . 1 1 1 A 52 52 VAL HA H 52 3.334 3.684 -0.350 1
1 554 . 1 1 1 A 52 52 VAL CB C 52 31.150 31.580 -0.430 1
1 564 . 1 1 1 A 52 52 VAL C C 52 177.566 177.448 0.118 1
1 565 . 1 1 1 A 53 53 GLN N N 53 116.880 121.547 -4.667 1
1 566 . 1 1 1 A 53 53 GLN H H 53 8.513 7.942 0.571 1
1 567 . 1 1 1 A 53 53 GLN CA C 53 58.730 58.949 -0.219 1
1 568 . 1 1 1 A 53 53 GLN HA H 53 3.946 3.973 -0.027 1
1 569 . 1 1 1 A 53 53 GLN CB C 53 28.098 28.497 -0.399 1
1 578 . 1 1 1 A 53 53 GLN C C 53 177.916 178.049 -0.133 1
1 579 . 1 1 1 A 54 54 GLU N N 54 119.584 119.596 -0.012 1
1 580 . 1 1 1 A 54 54 GLU H H 54 7.525 8.163 -0.638 1
1 581 . 1 1 1 A 54 54 GLU CA C 54 59.754 59.119 0.635 1
1 582 . 1 1 1 A 54 54 GLU HA H 54 3.980 4.083 -0.103 1
1 583 . 1 1 1 A 54 54 GLU CB C 54 29.509 29.797 -0.288 1
1 589 . 1 1 1 A 54 54 GLU C C 54 180.168 179.692 0.476 1
1 590 . 1 1 1 A 55 55 LEU N N 55 121.130 120.662 0.468 1
1 591 . 1 1 1 A 55 55 LEU H H 55 8.437 8.305 0.132 1
1 592 . 1 1 1 A 55 55 LEU CA C 55 58.005 57.852 0.153 1
1 593 . 1 1 1 A 55 55 LEU HA H 55 3.870 3.921 -0.051 1
1 594 . 1 1 1 A 55 55 LEU CB C 55 42.588 41.591 0.997 1
1 607 . 1 1 1 A 55 55 LEU C C 55 180.835 179.315 1.520 1
1 608 . 1 1 1 A 56 56 LEU N N 56 123.508 118.474 5.034 1
1 609 . 1 1 1 A 56 56 LEU H H 56 8.664 8.481 0.183 1
1 610 . 1 1 1 A 56 56 LEU CA C 56 58.397 57.685 0.712 1
1 611 . 1 1 1 A 56 56 LEU HA H 56 3.972 3.925 0.047 1
1 612 . 1 1 1 A 56 56 LEU CB C 56 42.087 41.374 0.713 1
1 625 . 1 1 1 A 56 56 LEU C C 56 181.257 178.955 2.302 1
1 626 . 1 1 1 A 57 57 ASN N N 57 116.946 117.882 -0.936 1
1 627 . 1 1 1 A 57 57 ASN H H 57 8.334 8.119 0.215 1
1 628 . 1 1 1 A 57 57 ASN CA C 57 54.627 56.003 -1.376 1
1 629 . 1 1 1 A 57 57 ASN HA H 57 4.566 4.547 0.019 1
1 630 . 1 1 1 A 57 57 ASN CB C 57 38.170 38.228 -0.058 1
1 636 . 1 1 1 A 57 57 ASN C C 57 176.756 176.765 -0.009 1
1 637 . 1 1 1 A 58 58 GLN N N 58 118.214 116.769 1.445 1
1 638 . 1 1 1 A 58 58 GLN H H 58 7.670 7.990 -0.320 1
1 639 . 1 1 1 A 58 58 GLN CA C 58 58.022 55.854 2.168 1
1 640 . 1 1 1 A 58 58 GLN HA H 58 4.184 4.341 -0.157 1
1 641 . 1 1 1 A 58 58 GLN CB C 58 28.460 29.246 -0.786 1
1 650 . 1 1 1 A 58 58 GLN C C 58 175.792 175.357 0.435 1
1 651 . 1 1 1 A 59 59 GLN N N 59 114.113 116.494 -2.381 1
1 652 . 1 1 1 A 59 59 GLN H H 59 7.825 8.085 -0.260 1
1 653 . 1 1 1 A 59 59 GLN CA C 59 56.584 56.881 -0.297 1
1 654 . 1 1 1 A 59 59 GLN HA H 59 4.015 3.811 0.204 1
1 655 . 1 1 1 A 59 59 GLN CB C 59 26.829 26.147 0.682 1
1 664 . 1 1 1 A 59 59 GLN C C 59 175.049 174.947 0.102 1
1 665 . 1 1 1 A 60 60 LYS N N 60 118.472 118.680 -0.208 1
1 666 . 1 1 1 A 60 60 LYS H H 60 9.134 8.106 1.028 1
1 667 . 1 1 1 A 60 60 LYS CA C 60 54.005 56.033 -2.028 1
1 668 . 1 1 1 A 60 60 LYS HA H 60 4.458 4.402 0.056 1
1 669 . 1 1 1 A 60 60 LYS CB C 60 32.573 34.241 -1.668 1
1 681 . 1 1 1 A 60 60 LYS C C 60 176.936 175.511 1.425 1
1 682 . 1 1 1 A 61 61 LYS N N 61 121.877 120.090 1.787 1
1 683 . 1 1 1 A 61 61 LYS H H 61 9.069 8.699 0.370 1
1 684 . 1 1 1 A 61 61 LYS CA C 61 53.421 54.241 -0.820 1
1 685 . 1 1 1 A 61 61 LYS HA H 61 4.517 4.861 -0.344 1
1 686 . 1 1 1 A 61 61 LYS CB C 61 35.816 36.672 -0.856 1
1 698 . 1 1 1 A 61 61 LYS C C 61 175.049 176.221 -1.172 1
1 699 . 1 1 1 A 62 62 SER N N 62 114.153 116.949 -2.796 1
1 700 . 1 1 1 A 62 62 SER H H 62 8.524 8.443 0.081 1
1 701 . 1 1 1 A 62 62 SER CA C 62 60.959 60.612 0.347 1
1 702 . 1 1 1 A 62 62 SER HA H 62 3.954 4.277 -0.323 1
1 703 . 1 1 1 A 62 62 SER CB C 62 64.374 62.858 1.516 1
1 706 . 1 1 1 A 62 62 SER C C 62 175.660 175.561 0.099 1
1 707 . 1 1 1 A 63 63 GLY N N 63 111.615 112.967 -1.352 1
1 708 . 1 1 1 A 63 63 GLY H H 63 9.308 8.189 1.119 1
1 709 . 1 1 1 A 63 63 GLY CA C 63 44.971 45.244 -0.273 1
1 710 . 1 1 1 A 63 63 GLY HA2 H 63 4.188 3.982 0.206 1
1 711 . 1 1 1 A 63 63 GLY HA3 H 63 4.188 3.986 0.202 1
1 712 . 1 1 1 A 63 63 GLY C C 63 172.420 173.321 -0.901 1
1 713 . 1 1 1 A 64 64 GLU N N 64 117.287 121.182 -3.895 1
1 714 . 1 1 1 A 64 64 GLU H H 64 7.909 7.947 -0.038 1
1 715 . 1 1 1 A 64 64 GLU CA C 64 53.972 55.056 -1.084 1
1 716 . 1 1 1 A 64 64 GLU HA H 64 4.549 4.764 -0.215 1
1 717 . 1 1 1 A 64 64 GLU CB C 64 32.449 32.843 -0.394 1
1 723 . 1 1 1 A 64 64 GLU C C 64 174.611 174.786 -0.175 1
1 724 . 1 1 1 A 65 65 VAL N N 65 118.093 122.255 -4.162 1
1 725 . 1 1 1 A 65 65 VAL H H 65 8.337 8.922 -0.585 1
1 726 . 1 1 1 A 65 65 VAL CA C 65 59.380 59.592 -0.212 1
1 727 . 1 1 1 A 65 65 VAL HA H 65 5.149 5.162 -0.013 1
1 728 . 1 1 1 A 65 65 VAL CB C 65 35.892 35.347 0.545 1
1 738 . 1 1 1 A 65 65 VAL C C 65 172.013 173.993 -1.980 1
1 739 . 1 1 1 A 66 66 ALA N N 66 130.790 130.288 0.502 1
1 740 . 1 1 1 A 66 66 ALA H H 66 8.876 8.844 0.032 1
1 741 . 1 1 1 A 66 66 ALA CA C 66 50.170 50.751 -0.581 1
1 742 . 1 1 1 A 66 66 ALA HA H 66 4.879 5.463 -0.584 1
1 743 . 1 1 1 A 66 66 ALA CB C 66 21.291 21.267 0.024 1
1 747 . 1 1 1 A 66 66 ALA C C 66 175.997 176.630 -0.633 1
1 748 . 1 1 1 A 67 67 VAL N N 67 119.453 120.526 -1.073 1
1 749 . 1 1 1 A 67 67 VAL H H 67 8.615 8.312 0.303 1
1 750 . 1 1 1 A 67 67 VAL CA C 67 61.078 60.684 0.394 1
1 751 . 1 1 1 A 67 67 VAL HA H 67 5.255 5.257 -0.002 1
1 752 . 1 1 1 A 67 67 VAL CB C 67 36.283 35.101 1.182 1
1 762 . 1 1 1 A 67 67 VAL C C 67 176.213 174.701 1.512 1
1 763 . 1 1 1 A 68 68 LEU N N 68 126.404 127.210 -0.806 1
1 764 . 1 1 1 A 68 68 LEU H H 68 9.013 8.400 0.613 1
1 765 . 1 1 1 A 68 68 LEU CA C 68 53.424 54.281 -0.857 1
1 766 . 1 1 1 A 68 68 LEU HA H 68 4.809 4.953 -0.144 1
1 767 . 1 1 1 A 68 68 LEU CB C 68 46.473 45.877 0.596 1
1 780 . 1 1 1 A 68 68 LEU C C 68 174.704 174.172 0.532 1
1 781 . 1 1 1 A 69 69 LYS N N 69 123.462 127.866 -4.404 1
1 782 . 1 1 1 A 69 69 LYS H H 69 8.756 8.860 -0.104 1
1 783 . 1 1 1 A 69 69 LYS CA C 69 55.228 55.701 -0.473 1
1 784 . 1 1 1 A 69 69 LYS HA H 69 4.791 4.739 0.052 1
1 785 . 1 1 1 A 69 69 LYS CB C 69 33.820 32.440 1.380 1
1 797 . 1 1 1 A 69 69 LYS C C 69 177.387 176.127 1.260 1
1 798 . 1 1 1 A 70 70 ARG N N 70 127.852 127.076 0.776 1
1 799 . 1 1 1 A 70 70 ARG H H 70 8.688 8.580 0.108 1
1 800 . 1 1 1 A 70 70 ARG CA C 70 52.929 58.989 -6.060 1
1 801 . 1 1 1 A 70 70 ARG CB C 70 34.028 30.904 3.124 1
1 809 . 1 1 1 A 70 70 ARG C C 70 175.460 177.183 -1.723 1
1 810 . 1 1 1 A 71 71 ASP CA C 71 55.193 55.298 -0.105 1
1 811 . 1 1 1 A 71 71 ASP HA H 71 4.268 4.792 -0.524 1
1 812 . 1 1 1 A 71 71 ASP CB C 71 40.326 43.155 -2.829 1
1 815 . 1 1 1 A 71 71 ASP C C 71 175.970 177.629 -1.659 1
1 816 . 1 1 1 A 72 72 GLY N N 72 104.319 105.083 -0.764 1
1 817 . 1 1 1 A 72 72 GLY H H 72 8.642 7.688 0.954 1
1 818 . 1 1 1 A 72 72 GLY CA C 72 45.692 45.580 0.112 1
1 819 . 1 1 1 A 72 72 GLY HA2 H 72 4.062 3.970 0.092 1
1 820 . 1 1 1 A 72 72 GLY HA3 H 72 3.516 3.997 -0.481 1
1 821 . 1 1 1 A 72 72 GLY C C 72 172.604 173.722 -1.118 1
1 822 . 1 1 1 A 73 73 ARG N N 73 118.257 117.463 0.794 1
1 823 . 1 1 1 A 73 73 ARG H H 73 7.794 7.581 0.213 1
1 824 . 1 1 1 A 73 73 ARG CA C 73 52.893 53.797 -0.904 1
1 825 . 1 1 1 A 73 73 ARG HA H 73 4.560 4.621 -0.061 1
1 826 . 1 1 1 A 73 73 ARG CB C 73 31.831 33.540 -1.709 1
1 837 . 1 1 1 A 73 73 ARG C C 73 173.057 173.588 -0.531 1
1 838 . 1 1 1 A 74 74 TYR N N 74 117.830 119.449 -1.619 1
1 839 . 1 1 1 A 74 74 TYR H H 74 8.366 8.271 0.095 1
1 840 . 1 1 1 A 74 74 TYR CA C 74 57.987 56.977 1.010 1
1 841 . 1 1 1 A 74 74 TYR HA H 74 5.005 5.074 -0.069 1
1 842 . 1 1 1 A 74 74 TYR CB C 74 40.473 39.304 1.169 1
1 853 . 1 1 1 A 74 74 TYR C C 74 173.530 174.679 -1.149 1
1 854 . 1 1 1 A 75 75 ILE N N 75 120.880 125.086 -4.206 1
1 855 . 1 1 1 A 75 75 ILE H H 75 8.923 8.702 0.221 1
1 856 . 1 1 1 A 75 75 ILE CA C 75 59.632 60.853 -1.221 1
1 857 . 1 1 1 A 75 75 ILE HA H 75 4.398 4.372 0.026 1
1 858 . 1 1 1 A 75 75 ILE CB C 75 37.608 37.748 -0.140 1
1 871 . 1 1 1 A 75 75 ILE C C 75 174.203 175.171 -0.968 1
1 872 . 1 1 1 A 76 76 TYR N N 76 125.586 128.245 -2.659 1
1 873 . 1 1 1 A 76 76 TYR H H 76 9.540 8.833 0.707 1
1 874 . 1 1 1 A 76 76 TYR CA C 76 59.137 56.884 2.253 1
1 875 . 1 1 1 A 76 76 TYR HA H 76 4.630 5.547 -0.917 1
1 876 . 1 1 1 A 76 76 TYR CB C 76 39.909 41.209 -1.300 1
1 887 . 1 1 1 A 76 76 TYR C C 76 174.280 174.948 -0.668 1
1 888 . 1 1 1 A 77 77 TYR N N 77 123.524 121.175 2.349 1
1 889 . 1 1 1 A 77 77 TYR H H 77 9.221 9.019 0.202 1
1 890 . 1 1 1 A 77 77 TYR CA C 77 55.476 56.523 -1.047 1
1 891 . 1 1 1 A 77 77 TYR HA H 77 4.155 5.216 -1.061 1
1 892 . 1 1 1 A 77 77 TYR CB C 77 35.926 39.941 -4.015 1
1 903 . 1 1 1 A 77 77 TYR C C 77 174.236 175.021 -0.785 1
1 904 . 1 1 1 A 78 78 LEU N N 78 123.875 126.205 -2.330 1
1 905 . 1 1 1 A 78 78 LEU H H 78 8.948 8.869 0.079 1
1 906 . 1 1 1 A 78 78 LEU CA C 78 55.635 55.276 0.359 1
1 907 . 1 1 1 A 78 78 LEU HA H 78 4.134 4.548 -0.414 1
1 908 . 1 1 1 A 78 78 LEU CB C 78 40.856 42.076 -1.220 1
1 921 . 1 1 1 A 78 78 LEU C C 78 175.294 176.210 -0.916 1
1 922 . 1 1 1 A 79 79 ILE N N 79 127.986 125.031 2.955 1
1 923 . 1 1 1 A 79 79 ILE H H 79 8.322 8.564 -0.242 1
1 924 . 1 1 1 A 79 79 ILE CA C 79 59.349 60.033 -0.684 1
1 925 . 1 1 1 A 79 79 ILE HA H 79 4.372 4.607 -0.235 1
1 926 . 1 1 1 A 79 79 ILE CB C 79 34.277 38.697 -4.420 1
1 939 . 1 1 1 A 79 79 ILE C C 79 176.505 176.259 0.246 1
1 940 . 1 1 1 A 80 80 THR N N 80 113.978 118.273 -4.295 1
1 941 . 1 1 1 A 80 80 THR H H 80 8.276 8.840 -0.564 1
1 942 . 1 1 1 A 80 80 THR CA C 80 61.646 62.249 -0.603 1
1 943 . 1 1 1 A 80 80 THR HA H 80 4.334 4.581 -0.247 1
1 944 . 1 1 1 A 80 80 THR CB C 80 69.165 70.093 -0.928 1
1 950 . 1 1 1 A 80 80 THR C C 80 172.999 174.324 -1.325 1
1 951 . 1 1 1 A 81 81 LYS N N 81 114.856 119.572 -4.716 1
1 952 . 1 1 1 A 81 81 LYS H H 81 7.512 7.627 -0.115 1
1 953 . 1 1 1 A 81 81 LYS CA C 81 54.894 54.818 0.076 1
1 954 . 1 1 1 A 81 81 LYS HA H 81 4.649 4.825 -0.176 1
1 955 . 1 1 1 A 81 81 LYS CB C 81 34.139 34.825 -0.686 1
1 964 . 1 1 1 A 81 81 LYS C C 81 175.344 176.406 -1.062 1
1 965 . 1 1 1 A 82 82 LYS N N 82 121.209 118.823 2.386 1
1 966 . 1 1 1 A 82 82 LYS H H 82 9.577 8.863 0.714 1
1 967 . 1 1 1 A 82 82 LYS CA C 82 60.198 57.389 2.809 1
1 968 . 1 1 1 A 82 82 LYS HA H 82 3.884 4.510 -0.626 1
1 969 . 1 1 1 A 82 82 LYS CB C 82 33.603 33.655 -0.052 1
1 981 . 1 1 1 A 82 82 LYS C C 82 176.049 176.783 -0.734 1
1 982 . 1 1 1 A 83 83 ARG N N 83 112.456 117.276 -4.820 1
1 983 . 1 1 1 A 83 83 ARG H H 83 6.717 7.689 -0.972 1
1 984 . 1 1 1 A 83 83 ARG CA C 83 52.451 54.005 -1.554 1
1 985 . 1 1 1 A 83 83 ARG HA H 83 4.691 4.808 -0.117 1
1 986 . 1 1 1 A 83 83 ARG CB C 83 32.857 34.215 -1.358 1
1 995 . 1 1 1 A 83 83 ARG C C 83 177.299 176.375 0.924 1
1 996 . 1 1 1 A 84 84 ALA N N 84 124.857 124.514 0.343 1
1 997 . 1 1 1 A 84 84 ALA H H 84 9.290 8.880 0.410 1
1 998 . 1 1 1 A 84 84 ALA CA C 84 56.005 55.468 0.537 1
1 999 . 1 1 1 A 84 84 ALA HA H 84 3.895 4.002 -0.107 1
1 1000 . 1 1 1 A 84 84 ALA CB C 84 19.175 18.232 0.943 1
1 1004 . 1 1 1 A 84 84 ALA C C 84 178.350 179.344 -0.994 1
1 1005 . 1 1 1 A 85 85 SER CA C 85 58.631 60.710 -2.079 1
1 1006 . 1 1 1 A 85 85 SER HA H 85 4.338 4.069 0.269 1
1 1007 . 1 1 1 A 85 85 SER CB C 85 63.277 63.002 0.275 1
1 1010 . 1 1 1 A 85 85 SER C C 85 175.469 174.269 1.200 1
1 1011 . 1 1 1 A 86 86 HIS N N 86 121.978 117.551 4.427 1
1 1012 . 1 1 1 A 86 86 HIS H H 86 7.560 8.049 -0.489 1
1 1013 . 1 1 1 A 86 86 HIS CA C 86 54.468 55.042 -0.574 1
1 1014 . 1 1 1 A 86 86 HIS HA H 86 4.766 4.801 -0.035 1
1 1015 . 1 1 1 A 86 86 HIS CB C 86 33.069 30.799 2.270 1
1 1022 . 1 1 1 A 86 86 HIS C C 86 174.466 174.568 -0.102 1
1 1023 . 1 1 1 A 87 87 LYS N N 87 122.014 124.730 -2.716 1
1 1024 . 1 1 1 A 87 87 LYS H H 87 8.693 8.690 0.003 1
1 1025 . 1 1 1 A 87 87 LYS CA C 87 53.283 54.727 -1.444 1
1 1026 . 1 1 1 A 87 87 LYS HA H 87 4.792 4.471 0.321 1
1 1027 . 1 1 1 A 87 87 LYS CB C 87 32.803 31.859 0.944 1
1 1037 . 1 1 1 A 87 87 LYS C C 87 175.072 174.543 0.529 1
1 1038 . 1 1 1 A 88 88 PRO CA C 88 62.515 62.617 -0.102 1
1 1039 . 1 1 1 A 88 88 PRO HA H 88 4.796 4.705 0.091 1
1 1040 . 1 1 1 A 88 88 PRO CB C 88 32.687 32.819 -0.132 1
1 1049 . 1 1 1 A 88 88 PRO C C 88 175.319 176.486 -1.167 1
1 1050 . 1 1 1 A 89 89 THR N N 89 107.501 112.319 -4.818 1
1 1051 . 1 1 1 A 89 89 THR H H 89 7.933 8.246 -0.313 1
1 1052 . 1 1 1 A 89 89 THR CA C 89 58.518 59.652 -1.134 1
1 1053 . 1 1 1 A 89 89 THR HA H 89 4.758 4.753 0.005 1
1 1054 . 1 1 1 A 89 89 THR CB C 89 70.861 71.737 -0.876 1
1 1060 . 1 1 1 A 89 89 THR C C 89 175.662 175.246 0.416 1
1 1061 . 1 1 1 A 90 90 TYR N N 90 120.845 123.948 -3.103 1
1 1062 . 1 1 1 A 90 90 TYR H H 90 8.751 9.185 -0.434 1
1 1063 . 1 1 1 A 90 90 TYR CA C 90 63.195 61.018 2.177 1
1 1064 . 1 1 1 A 90 90 TYR HA H 90 4.064 4.174 -0.110 1
1 1065 . 1 1 1 A 90 90 TYR CB C 90 37.372 38.009 -0.637 1
1 1076 . 1 1 1 A 90 90 TYR C C 90 178.063 178.127 -0.064 1
1 1077 . 1 1 1 A 91 91 GLU N N 91 118.210 120.115 -1.905 1
1 1078 . 1 1 1 A 91 91 GLU H H 91 8.857 8.209 0.648 1
1 1079 . 1 1 1 A 91 91 GLU CA C 91 60.312 59.676 0.636 1
1 1080 . 1 1 1 A 91 91 GLU HA H 91 4.114 4.037 0.077 1
1 1081 . 1 1 1 A 91 91 GLU CB C 91 29.276 29.331 -0.055 1
1 1087 . 1 1 1 A 91 91 GLU C C 91 178.970 179.092 -0.122 1
1 1088 . 1 1 1 A 92 92 ASN N N 92 117.220 118.291 -1.071 1
1 1089 . 1 1 1 A 92 92 ASN H H 92 7.894 8.009 -0.115 1
1 1090 . 1 1 1 A 92 92 ASN CA C 92 55.334 56.390 -1.056 1
1 1091 . 1 1 1 A 92 92 ASN HA H 92 4.696 4.441 0.255 1
1 1092 . 1 1 1 A 92 92 ASN CB C 92 37.704 38.331 -0.627 1
1 1098 . 1 1 1 A 92 92 ASN C C 92 178.155 177.846 0.309 1
1 1099 . 1 1 1 A 93 93 LEU N N 93 121.622 121.459 0.163 1
1 1100 . 1 1 1 A 93 93 LEU H H 93 8.038 8.156 -0.118 1
1 1101 . 1 1 1 A 93 93 LEU CA C 93 58.495 59.101 -0.606 1
1 1102 . 1 1 1 A 93 93 LEU HA H 93 4.092 3.994 0.098 1
1 1103 . 1 1 1 A 93 93 LEU CB C 93 41.383 41.870 -0.487 1
1 1116 . 1 1 1 A 93 93 LEU C C 93 177.808 178.621 -0.813 1
1 1117 . 1 1 1 A 94 94 GLN N N 94 120.352 118.218 2.134 1
1 1118 . 1 1 1 A 94 94 GLN H H 94 8.792 8.135 0.657 1
1 1119 . 1 1 1 A 94 94 GLN CA C 94 61.099 59.367 1.732 1
1 1120 . 1 1 1 A 94 94 GLN HA H 94 3.721 3.979 -0.258 1
1 1121 . 1 1 1 A 94 94 GLN CB C 94 27.560 28.835 -1.275 1
1 1130 . 1 1 1 A 94 94 GLN C C 94 178.042 178.352 -0.310 1
1 1131 . 1 1 1 A 95 95 LYS N N 95 117.824 118.594 -0.770 1
1 1132 . 1 1 1 A 95 95 LYS H H 95 7.803 7.705 0.098 1
1 1133 . 1 1 1 A 95 95 LYS CA C 95 60.222 59.452 0.770 1
1 1134 . 1 1 1 A 95 95 LYS HA H 95 4.012 3.944 0.068 1
1 1135 . 1 1 1 A 95 95 LYS CB C 95 33.168 32.342 0.826 1
1 1147 . 1 1 1 A 95 95 LYS C C 95 179.868 179.328 0.540 1
1 1148 . 1 1 1 A 96 96 SER N N 96 118.301 116.241 2.060 1
1 1149 . 1 1 1 A 96 96 SER H H 96 8.251 8.386 -0.135 1
1 1150 . 1 1 1 A 96 96 SER CA C 96 63.668 62.491 1.177 1
1 1151 . 1 1 1 A 96 96 SER HA H 96 3.710 4.149 -0.439 1
1 1152 . 1 1 1 A 96 96 SER CB C 96 62.882 62.831 0.051 1
1 1155 . 1 1 1 A 96 96 SER C C 96 176.400 176.301 0.099 1
1 1156 . 1 1 1 A 97 97 LEU N N 97 122.701 121.123 1.578 1
1 1157 . 1 1 1 A 97 97 LEU H H 97 8.467 8.223 0.244 1
1 1158 . 1 1 1 A 97 97 LEU CA C 97 58.323 57.932 0.391 1
1 1159 . 1 1 1 A 97 97 LEU HA H 97 3.861 4.043 -0.182 1
1 1160 . 1 1 1 A 97 97 LEU CB C 97 42.995 41.345 1.650 1
1 1173 . 1 1 1 A 97 97 LEU C C 97 178.941 179.270 -0.329 1
1 1174 . 1 1 1 A 98 98 GLU N N 98 119.918 119.478 0.440 1
1 1175 . 1 1 1 A 98 98 GLU H H 98 8.410 8.271 0.139 1
1 1176 . 1 1 1 A 98 98 GLU CA C 98 59.561 59.467 0.094 1
1 1177 . 1 1 1 A 98 98 GLU HA H 98 3.622 3.875 -0.253 1
1 1178 . 1 1 1 A 98 98 GLU CB C 98 29.142 28.923 0.219 1
1 1184 . 1 1 1 A 98 98 GLU C C 98 179.137 178.982 0.155 1
1 1185 . 1 1 1 A 99 99 ALA N N 99 124.193 122.371 1.822 1
1 1186 . 1 1 1 A 99 99 ALA H H 99 8.197 8.110 0.087 1
1 1187 . 1 1 1 A 99 99 ALA CA C 99 55.016 55.116 -0.100 1
1 1188 . 1 1 1 A 99 99 ALA HA H 99 4.247 4.122 0.125 1
1 1189 . 1 1 1 A 99 99 ALA CB C 99 17.815 18.238 -0.423 1
1 1193 . 1 1 1 A 99 99 ALA C C 99 181.133 179.762 1.371 1
1 1194 . 1 1 1 A 100 100 MET N N 100 122.009 118.407 3.602 1
1 1195 . 1 1 1 A 100 100 MET H H 100 8.482 7.950 0.532 1
1 1196 . 1 1 1 A 100 100 MET CA C 100 59.826 58.139 1.687 1
1 1197 . 1 1 1 A 100 100 MET HA H 100 3.714 4.007 -0.293 1
1 1198 . 1 1 1 A 100 100 MET CB C 100 32.944 32.198 0.746 1
1 1208 . 1 1 1 A 100 100 MET C C 100 176.658 177.837 -1.179 1
1 1209 . 1 1 1 A 101 101 LYS N N 101 120.991 118.489 2.502 1
1 1210 . 1 1 1 A 101 101 LYS H H 101 8.721 7.945 0.776 1
1 1211 . 1 1 1 A 101 101 LYS CA C 101 60.563 58.939 1.624 1
1 1212 . 1 1 1 A 101 101 LYS HA H 101 3.614 3.991 -0.377 1
1 1213 . 1 1 1 A 101 101 LYS CB C 101 30.759 32.003 -1.244 1
1 1225 . 1 1 1 A 101 101 LYS C C 101 177.419 178.281 -0.862 1
1 1226 . 1 1 1 A 102 102 SER N N 102 111.833 114.611 -2.778 1
1 1227 . 1 1 1 A 102 102 SER H H 102 8.005 7.615 0.390 1
1 1228 . 1 1 1 A 102 102 SER CA C 102 61.993 61.279 0.714 1
1 1229 . 1 1 1 A 102 102 SER HA H 102 4.082 4.103 -0.021 1
1 1230 . 1 1 1 A 102 102 SER CB C 102 62.863 62.977 -0.114 1
1 1233 . 1 1 1 A 102 102 SER C C 102 176.601 177.089 -0.488 1
1 1234 . 1 1 1 A 103 103 HIS N N 103 121.793 120.498 1.295 1
1 1235 . 1 1 1 A 103 103 HIS H H 103 7.605 7.933 -0.328 1
1 1236 . 1 1 1 A 103 103 HIS CA C 103 62.090 59.327 2.763 1
1 1237 . 1 1 1 A 103 103 HIS HA H 103 4.000 4.332 -0.332 1
1 1238 . 1 1 1 A 103 103 HIS CB C 103 30.652 30.134 0.518 1
1 1245 . 1 1 1 A 103 103 HIS C C 103 179.129 176.536 2.593 1
1 1246 . 1 1 1 A 104 104 CYS N N 104 119.421 116.557 2.864 1
1 1247 . 1 1 1 A 104 104 CYS H H 104 9.261 7.547 1.714 1
1 1248 . 1 1 1 A 104 104 CYS CA C 104 63.841 63.528 0.313 1
1 1249 . 1 1 1 A 104 104 CYS HA H 104 4.105 4.168 -0.063 1
1 1250 . 1 1 1 A 104 104 CYS CB C 104 27.916 27.134 0.782 1
1 1253 . 1 1 1 A 104 104 CYS C C 104 178.176 177.497 0.679 1
1 1254 . 1 1 1 A 105 105 LEU N N 105 117.129 120.551 -3.422 1
1 1255 . 1 1 1 A 105 105 LEU H H 105 8.331 7.903 0.428 1
1 1256 . 1 1 1 A 105 105 LEU CA C 105 57.262 58.014 -0.752 1
1 1257 . 1 1 1 A 105 105 LEU HA H 105 4.245 3.966 0.279 1
1 1258 . 1 1 1 A 105 105 LEU CB C 105 42.030 41.489 0.541 1
1 1271 . 1 1 1 A 105 105 LEU C C 105 180.635 179.090 1.545 1
1 1272 . 1 1 1 A 106 106 LYS N N 106 118.583 116.649 1.934 1
1 1273 . 1 1 1 A 106 106 LYS H H 106 7.638 8.041 -0.403 1
1 1274 . 1 1 1 A 106 106 LYS CA C 106 58.075 60.211 -2.136 1
1 1275 . 1 1 1 A 106 106 LYS HA H 106 4.140 3.886 0.254 1
1 1276 . 1 1 1 A 106 106 LYS CB C 106 33.191 32.240 0.951 1
1 1288 . 1 1 1 A 106 106 LYS C C 106 177.466 178.765 -1.299 1
1 1289 . 1 1 1 A 107 107 ASN N N 107 113.320 114.981 -1.661 1
1 1290 . 1 1 1 A 107 107 ASN H H 107 7.606 7.969 -0.363 1
1 1291 . 1 1 1 A 107 107 ASN CA C 107 53.813 54.830 -1.017 1
1 1292 . 1 1 1 A 107 107 ASN HA H 107 4.841 4.669 0.172 1
1 1293 . 1 1 1 A 107 107 ASN CB C 107 39.785 38.379 1.406 1
1 1299 . 1 1 1 A 107 107 ASN C C 107 174.443 175.637 -1.194 1
1 1300 . 1 1 1 A 108 108 GLY N N 108 109.386 107.398 1.988 1
1 1301 . 1 1 1 A 108 108 GLY H H 108 7.667 7.716 -0.049 1
1 1302 . 1 1 1 A 108 108 GLY CA C 108 47.252 45.304 1.948 1
1 1303 . 1 1 1 A 108 108 GLY HA2 H 108 4.023 4.129 -0.106 1
1 1304 . 1 1 1 A 108 108 GLY HA3 H 108 4.023 4.132 -0.109 1
1 1305 . 1 1 1 A 108 108 GLY C C 108 174.436 174.415 0.021 1
1 1306 . 1 1 1 A 109 109 VAL N N 109 122.758 120.491 2.267 1
1 1307 . 1 1 1 A 109 109 VAL H H 109 8.480 8.201 0.279 1
1 1308 . 1 1 1 A 109 109 VAL CA C 109 63.788 61.614 2.174 1
1 1309 . 1 1 1 A 109 109 VAL HA H 109 4.094 4.207 -0.113 1
1 1310 . 1 1 1 A 109 109 VAL CB C 109 32.931 31.462 1.469 1
1 1320 . 1 1 1 A 109 109 VAL C C 109 176.089 175.223 0.866 1
1 1321 . 1 1 1 A 110 110 THR N N 110 115.431 123.650 -8.219 1
1 1322 . 1 1 1 A 110 110 THR H H 110 8.995 9.033 -0.038 1
1 1323 . 1 1 1 A 110 110 THR CA C 110 62.045 61.378 0.667 1
1 1324 . 1 1 1 A 110 110 THR HA H 110 4.515 4.597 -0.082 1
1 1325 . 1 1 1 A 110 110 THR CB C 110 70.758 69.518 1.240 1
1 1331 . 1 1 1 A 110 110 THR C C 110 173.700 173.652 0.048 1
1 1332 . 1 1 1 A 111 111 ASP N N 111 123.757 119.958 3.799 1
1 1333 . 1 1 1 A 111 111 ASP H H 111 8.123 7.859 0.264 1
1 1334 . 1 1 1 A 111 111 ASP CA C 111 54.747 53.435 1.312 1
1 1335 . 1 1 1 A 111 111 ASP HA H 111 5.527 5.234 0.293 1
1 1336 . 1 1 1 A 111 111 ASP CB C 111 43.928 43.991 -0.063 1
1 1339 . 1 1 1 A 111 111 ASP C C 111 172.807 174.372 -1.565 1
1 1340 . 1 1 1 A 112 112 LEU N N 112 123.145 124.056 -0.911 1
1 1341 . 1 1 1 A 112 112 LEU H H 112 8.671 8.755 -0.084 1
1 1342 . 1 1 1 A 112 112 LEU CA C 112 52.953 53.853 -0.900 1
1 1343 . 1 1 1 A 112 112 LEU HA H 112 5.213 5.071 0.142 1
1 1344 . 1 1 1 A 112 112 LEU CB C 112 47.875 46.637 1.238 1
1 1357 . 1 1 1 A 112 112 LEU C C 112 176.803 173.856 2.947 1
1 1358 . 1 1 1 A 113 113 SER N N 113 122.973 120.715 2.258 1
1 1359 . 1 1 1 A 113 113 SER H H 113 9.473 8.425 1.048 1
1 1360 . 1 1 1 A 113 113 SER CA C 113 59.207 57.603 1.604 1
1 1361 . 1 1 1 A 113 113 SER HA H 113 6.070 5.424 0.646 1
1 1362 . 1 1 1 A 113 113 SER CB C 113 67.023 65.819 1.204 1
1 1365 . 1 1 1 A 113 113 SER C C 113 172.066 173.353 -1.287 1
1 1366 . 1 1 1 A 114 114 MET N N 114 118.476 123.703 -5.227 1
1 1367 . 1 1 1 A 114 114 MET H H 114 9.080 8.963 0.117 1
1 1368 . 1 1 1 A 114 114 MET CA C 114 54.007 52.626 1.381 1
1 1369 . 1 1 1 A 114 114 MET HA H 114 5.435 5.340 0.095 1
1 1370 . 1 1 1 A 114 114 MET CB C 114 34.867 35.144 -0.277 1
1 1380 . 1 1 1 A 114 114 MET C C 114 172.934 174.598 -1.664 1
1 1381 . 1 1 1 A 115 115 PRO CA C 115 62.262 62.294 -0.032 1
1 1382 . 1 1 1 A 115 115 PRO HA H 115 5.593 4.653 0.940 1
1 1383 . 1 1 1 A 115 115 PRO CB C 115 32.748 33.209 -0.461 1
1 1392 . 1 1 1 A 115 115 PRO C C 115 175.547 175.844 -0.297 1
1 1393 . 1 1 1 A 116 116 ARG N N 116 116.821 120.875 -4.054 1
1 1394 . 1 1 1 A 116 116 ARG H H 116 8.348 8.459 -0.111 1
1 1395 . 1 1 1 A 116 116 ARG CA C 116 55.785 56.084 -0.299 1
1 1396 . 1 1 1 A 116 116 ARG HA H 116 3.896 4.332 -0.436 1
1 1397 . 1 1 1 A 116 116 ARG CB C 116 27.344 30.422 -3.078 1
1 1406 . 1 1 1 A 116 116 ARG C C 116 176.796 176.100 0.696 1
1 1407 . 1 1 1 A 117 117 ILE N N 117 122.887 120.552 2.335 1
1 1408 . 1 1 1 A 117 117 ILE H H 117 7.989 8.731 -0.742 1
1 1409 . 1 1 1 A 117 117 ILE CA C 117 63.148 59.203 3.945 1
1 1410 . 1 1 1 A 117 117 ILE HA H 117 4.028 5.046 -1.018 1
1 1411 . 1 1 1 A 117 117 ILE CB C 117 40.010 40.463 -0.453 1
1 1424 . 1 1 1 A 117 117 ILE C C 117 174.324 175.836 -1.512 1
1 1425 . 1 1 1 A 118 118 GLY N N 118 107.320 112.816 -5.496 1
1 1426 . 1 1 1 A 118 118 GLY H H 118 8.662 8.847 -0.185 1
1 1427 . 1 1 1 A 118 118 GLY CA C 118 45.752 45.615 0.137 1
1 1428 . 1 1 1 A 118 118 GLY HA2 H 118 3.693 4.173 -0.480 1
1 1429 . 1 1 1 A 118 118 GLY HA3 H 118 4.226 4.238 -0.012 1
1 1430 . 1 1 1 A 118 118 GLY C C 118 172.861 174.985 -2.124 1
1 1431 . 1 1 1 A 119 119 CYS N N 119 115.336 118.976 -3.640 1
1 1432 . 1 1 1 A 119 119 CYS H H 119 7.445 7.933 -0.488 1
1 1433 . 1 1 1 A 119 119 CYS CA C 119 58.753 59.930 -1.177 1
1 1434 . 1 1 1 A 119 119 CYS HA H 119 4.831 4.435 0.396 1
1 1435 . 1 1 1 A 119 119 CYS CB C 119 28.840 28.466 0.374 1
1 1438 . 1 1 1 A 121 121 LEU CA C 121 57.692 57.374 0.318 1
1 1439 . 1 1 1 A 121 121 LEU HA H 121 4.152 4.305 -0.153 1
1 1440 . 1 1 1 A 121 121 LEU CB C 121 41.644 42.386 -0.742 1
1 1453 . 1 1 1 A 123 123 ARG N N 123 107.909 118.836 -10.927 1
1 1454 . 1 1 1 A 123 123 ARG H H 123 7.536 7.916 -0.380 1
1 1455 . 1 1 1 A 123 123 ARG CA C 123 57.775 59.341 -1.566 1
1 1456 . 1 1 1 A 123 123 ARG HA H 123 3.989 3.896 0.093 1
1 1457 . 1 1 1 A 123 123 ARG CB C 123 28.219 30.140 -1.921 1
1 1466 . 1 1 1 A 123 123 ARG C C 123 176.088 176.401 -0.313 1
1 1467 . 1 1 1 A 124 124 LEU N N 124 118.876 118.073 0.803 1
1 1468 . 1 1 1 A 124 124 LEU H H 124 8.401 7.723 0.678 1
1 1469 . 1 1 1 A 124 124 LEU CA C 124 54.573 53.080 1.493 1
1 1470 . 1 1 1 A 124 124 LEU HA H 124 4.533 4.917 -0.384 1
1 1471 . 1 1 1 A 124 124 LEU CB C 124 39.785 46.538 -6.753 1
1 1484 . 1 1 1 A 124 124 LEU C C 124 175.551 175.771 -0.220 1
1 1485 . 1 1 1 A 125 125 GLN N N 125 116.713 118.778 -2.065 1
1 1486 . 1 1 1 A 125 125 GLN H H 125 7.779 8.546 -0.767 1
1 1487 . 1 1 1 A 125 125 GLN CA C 125 54.609 54.426 0.183 1
1 1488 . 1 1 1 A 125 125 GLN HA H 125 4.794 5.175 -0.381 1
1 1489 . 1 1 1 A 125 125 GLN CB C 125 30.327 31.816 -1.489 1
1 1498 . 1 1 1 A 125 125 GLN C C 125 177.722 176.057 1.665 1
1 1499 . 1 1 1 A 126 126 TRP N N 126 128.887 126.918 1.969 1
1 1500 . 1 1 1 A 126 126 TRP H H 126 9.755 9.129 0.626 1
1 1501 . 1 1 1 A 126 126 TRP CA C 126 59.962 61.306 -1.344 1
1 1502 . 1 1 1 A 126 126 TRP HA H 126 4.545 4.249 0.296 1
1 1503 . 1 1 1 A 126 126 TRP CB C 126 30.009 30.493 -0.484 1
1 1518 . 1 1 1 A 126 126 TRP C C 126 177.057 178.035 -0.978 1
1 1519 . 1 1 1 A 127 127 GLU N N 127 119.568 118.375 1.193 1
1 1520 . 1 1 1 A 127 127 GLU H H 127 9.946 8.506 1.440 1
1 1521 . 1 1 1 A 127 127 GLU CA C 127 60.623 59.639 0.984 1
1 1522 . 1 1 1 A 127 127 GLU HA H 127 3.780 3.912 -0.132 1
1 1523 . 1 1 1 A 127 127 GLU CB C 127 28.594 29.426 -0.832 1
1 1529 . 1 1 1 A 127 127 GLU C C 127 177.905 179.009 -1.104 1
1 1530 . 1 1 1 A 128 128 ASN N N 128 115.229 118.446 -3.217 1
1 1531 . 1 1 1 A 128 128 ASN H H 128 7.159 8.079 -0.920 1
1 1532 . 1 1 1 A 128 128 ASN CA C 128 55.370 55.899 -0.529 1
1 1533 . 1 1 1 A 128 128 ASN HA H 128 4.446 4.331 0.115 1
1 1534 . 1 1 1 A 128 128 ASN CB C 128 38.522 37.973 0.549 1
1 1540 . 1 1 1 A 128 128 ASN C C 128 177.374 177.725 -0.351 1
1 1541 . 1 1 1 A 129 129 VAL N N 129 122.487 119.455 3.032 1
1 1542 . 1 1 1 A 129 129 VAL H H 129 8.033 7.610 0.423 1
1 1543 . 1 1 1 A 129 129 VAL CA C 129 67.289 66.754 0.535 1
1 1544 . 1 1 1 A 129 129 VAL HA H 129 3.489 3.542 -0.053 1
1 1545 . 1 1 1 A 129 129 VAL CB C 129 31.824 31.494 0.330 1
1 1555 . 1 1 1 A 129 129 VAL C C 129 177.209 177.414 -0.205 1
1 1556 . 1 1 1 A 130 130 SER N N 130 115.189 113.852 1.337 1
1 1557 . 1 1 1 A 130 130 SER H H 130 8.550 7.791 0.759 1
1 1558 . 1 1 1 A 130 130 SER CA C 130 61.477 60.818 0.659 1
1 1559 . 1 1 1 A 130 130 SER HA H 130 3.151 3.448 -0.297 1
1 1560 . 1 1 1 A 130 130 SER CB C 130 61.348 62.128 -0.780 1
1 1563 . 1 1 1 A 130 130 SER C C 130 175.971 176.742 -0.771 1
1 1564 . 1 1 1 A 131 131 ALA N N 131 123.596 123.433 0.163 1
1 1565 . 1 1 1 A 131 131 ALA H H 131 6.551 7.642 -1.091 1
1 1566 . 1 1 1 A 131 131 ALA CA C 131 54.947 55.159 -0.212 1
1 1567 . 1 1 1 A 131 131 ALA HA H 131 4.079 3.973 0.106 1
1 1568 . 1 1 1 A 131 131 ALA CB C 131 18.023 18.221 -0.198 1
1 1572 . 1 1 1 A 131 131 ALA C C 131 179.947 179.892 0.055 1
1 1573 . 1 1 1 A 132 132 MET N N 132 119.410 116.349 3.061 1
1 1574 . 1 1 1 A 132 132 MET H H 132 7.442 8.155 -0.713 1
1 1575 . 1 1 1 A 132 132 MET CA C 132 58.917 58.528 0.389 1
1 1576 . 1 1 1 A 132 132 MET HA H 132 4.118 4.324 -0.206 1
1 1577 . 1 1 1 A 132 132 MET CB C 132 33.984 32.729 1.255 1
1 1587 . 1 1 1 A 132 132 MET C C 132 178.019 178.760 -0.741 1
1 1588 . 1 1 1 A 133 133 ILE N N 133 120.265 119.519 0.746 1
1 1589 . 1 1 1 A 133 133 ILE H H 133 8.554 7.966 0.588 1
1 1590 . 1 1 1 A 133 133 ILE CA C 133 66.859 65.140 1.719 1
1 1591 . 1 1 1 A 133 133 ILE HA H 133 3.470 3.857 -0.387 1
1 1592 . 1 1 1 A 133 133 ILE CB C 133 38.240 37.099 1.141 1
1 1605 . 1 1 1 A 133 133 ILE C C 133 177.949 178.838 -0.889 1
1 1606 . 1 1 1 A 134 134 GLU N N 134 117.011 121.862 -4.851 1
1 1607 . 1 1 1 A 134 134 GLU H H 134 8.106 8.260 -0.154 1
1 1608 . 1 1 1 A 134 134 GLU CA C 134 59.844 59.591 0.253 1
1 1609 . 1 1 1 A 134 134 GLU HA H 134 3.919 4.112 -0.193 1
1 1610 . 1 1 1 A 134 134 GLU CB C 134 29.024 29.682 -0.658 1
1 1616 . 1 1 1 A 134 134 GLU C C 134 178.982 179.306 -0.324 1
1 1617 . 1 1 1 A 135 135 GLU N N 135 118.619 118.966 -0.347 1
1 1618 . 1 1 1 A 135 135 GLU H H 135 7.848 8.094 -0.246 1
1 1619 . 1 1 1 A 135 135 GLU CA C 135 59.438 59.361 0.077 1
1 1620 . 1 1 1 A 135 135 GLU HA H 135 4.090 4.117 -0.027 1
1 1621 . 1 1 1 A 135 135 GLU CB C 135 29.948 29.025 0.923 1
1 1627 . 1 1 1 A 135 135 GLU C C 135 179.547 178.949 0.598 1
1 1628 . 1 1 1 A 136 136 VAL N N 136 119.915 121.382 -1.467 1
1 1629 . 1 1 1 A 136 136 VAL H H 136 8.793 8.073 0.720 1
1 1630 . 1 1 1 A 136 136 VAL CA C 136 66.122 66.322 -0.200 1
1 1631 . 1 1 1 A 136 136 VAL HA H 136 3.578 3.559 0.019 1
1 1632 . 1 1 1 A 136 136 VAL CB C 136 31.990 31.836 0.154 1
1 1642 . 1 1 1 A 136 136 VAL C C 136 177.646 177.274 0.372 1
1 1643 . 1 1 1 A 137 137 PHE N N 137 111.913 117.404 -5.491 1
1 1644 . 1 1 1 A 137 137 PHE H H 137 8.009 7.790 0.219 1
1 1645 . 1 1 1 A 137 137 PHE CA C 137 59.545 59.067 0.478 1
1 1646 . 1 1 1 A 137 137 PHE HA H 137 4.197 4.496 -0.299 1
1 1647 . 1 1 1 A 137 137 PHE CB C 137 38.105 38.710 -0.605 1
1 1660 . 1 1 1 A 138 138 GLU N N 138 123.997 119.506 4.491 1
1 1661 . 1 1 1 A 138 138 GLU H H 138 7.268 8.350 -1.082 1
1 1662 . 1 1 1 A 138 138 GLU CA C 138 59.222 58.836 0.386 1
1 1663 . 1 1 1 A 138 138 GLU HA H 138 4.161 4.141 0.020 1
1 1664 . 1 1 1 A 138 138 GLU CB C 138 29.644 29.049 0.595 1
1 1670 . 1 1 1 A 139 139 ALA N N 139 121.713 120.833 0.880 1
1 1671 . 1 1 1 A 139 139 ALA H H 139 8.830 7.777 1.053 1
1 1672 . 1 1 1 A 139 139 ALA CA C 139 52.894 50.956 1.938 1
1 1673 . 1 1 1 A 139 139 ALA HA H 139 4.334 4.430 -0.096 1
1 1674 . 1 1 1 A 139 139 ALA CB C 139 17.362 19.112 -1.750 1
1 1678 . 1 1 1 A 139 139 ALA C C 139 176.943 175.956 0.987 1
1 1679 . 1 1 1 A 140 140 THR N N 140 107.901 110.218 -2.317 1
1 1680 . 1 1 1 A 140 140 THR H H 140 7.809 7.863 -0.054 1
1 1681 . 1 1 1 A 140 140 THR CA C 140 61.013 60.390 0.623 1
1 1682 . 1 1 1 A 140 140 THR HA H 140 4.164 4.832 -0.668 1
1 1683 . 1 1 1 A 140 140 THR CB C 140 72.698 71.882 0.816 1
1 1689 . 1 1 1 A 140 140 THR C C 140 174.222 173.177 1.045 1
1 1690 . 1 1 1 A 141 141 ASP N N 141 120.212 117.991 2.221 1
1 1691 . 1 1 1 A 141 141 ASP H H 141 8.959 8.629 0.330 1
1 1692 . 1 1 1 A 141 141 ASP CA C 141 53.333 53.604 -0.271 1
1 1693 . 1 1 1 A 141 141 ASP HA H 141 4.991 5.055 -0.064 1
1 1694 . 1 1 1 A 141 141 ASP CB C 141 40.660 41.165 -0.505 1
1 1697 . 1 1 1 A 141 141 ASP C C 141 175.403 174.468 0.935 1
1 1698 . 1 1 1 A 142 142 ILE N N 142 120.815 120.516 0.299 1
1 1699 . 1 1 1 A 142 142 ILE H H 142 7.444 7.643 -0.199 1
1 1700 . 1 1 1 A 142 142 ILE CA C 142 62.338 60.153 2.185 1
1 1701 . 1 1 1 A 142 142 ILE HA H 142 4.131 4.633 -0.502 1
1 1702 . 1 1 1 A 142 142 ILE CB C 142 38.703 40.632 -1.929 1
1 1715 . 1 1 1 A 142 142 ILE C C 142 175.399 174.496 0.903 1
1 1716 . 1 1 1 A 143 143 LYS N N 143 129.106 126.763 2.343 1
1 1717 . 1 1 1 A 143 143 LYS H H 143 8.588 8.858 -0.270 1
1 1718 . 1 1 1 A 143 143 LYS CA C 143 55.725 55.537 0.188 1
1 1719 . 1 1 1 A 143 143 LYS HA H 143 4.444 4.812 -0.368 1
1 1720 . 1 1 1 A 143 143 LYS CB C 143 33.768 34.103 -0.335 1
1 1732 . 1 1 1 A 143 143 LYS C C 143 174.820 175.624 -0.804 1
1 1733 . 1 1 1 A 144 144 ILE N N 144 122.496 124.553 -2.057 1
1 1734 . 1 1 1 A 144 144 ILE H H 144 7.884 8.818 -0.934 1
1 1735 . 1 1 1 A 144 144 ILE CA C 144 59.861 59.701 0.160 1
1 1736 . 1 1 1 A 144 144 ILE HA H 144 4.937 5.144 -0.207 1
1 1737 . 1 1 1 A 144 144 ILE CB C 144 40.518 41.147 -0.629 1
1 1750 . 1 1 1 A 144 144 ILE C C 144 175.232 175.079 0.153 1
1 1751 . 1 1 1 A 145 145 THR N N 145 126.667 121.763 4.904 1
1 1752 . 1 1 1 A 145 145 THR H H 145 9.100 8.334 0.766 1
1 1753 . 1 1 1 A 145 145 THR CA C 145 61.374 61.757 -0.383 1
1 1754 . 1 1 1 A 145 145 THR HA H 145 4.992 4.890 0.102 1
1 1755 . 1 1 1 A 145 145 THR CB C 145 68.907 72.432 -3.525 1
1 1761 . 1 1 1 A 145 145 THR C C 145 173.158 173.336 -0.178 1
1 1762 . 1 1 1 A 146 146 VAL N N 146 127.717 126.794 0.923 1
1 1763 . 1 1 1 A 146 146 VAL H H 146 8.818 9.225 -0.407 1
1 1764 . 1 1 1 A 146 146 VAL CA C 146 59.930 61.411 -1.481 1
1 1765 . 1 1 1 A 146 146 VAL HA H 146 5.053 4.876 0.177 1
1 1766 . 1 1 1 A 146 146 VAL CB C 146 32.906 32.690 0.216 1
1 1776 . 1 1 1 A 146 146 VAL C C 146 175.653 174.769 0.884 1
1 1777 . 1 1 1 A 147 147 TYR N N 147 129.304 126.938 2.366 1
1 1778 . 1 1 1 A 147 147 TYR H H 147 8.926 9.022 -0.096 1
1 1779 . 1 1 1 A 147 147 TYR CA C 147 57.290 57.279 0.011 1
1 1780 . 1 1 1 A 147 147 TYR HA H 147 5.283 5.029 0.254 1
1 1781 . 1 1 1 A 147 147 TYR CB C 147 40.422 40.264 0.158 1
1 1792 . 1 1 1 A 147 147 TYR C C 147 177.250 175.474 1.776 1
1 1793 . 1 1 1 A 148 148 THR N N 148 116.883 113.826 3.057 1
1 1794 . 1 1 1 A 148 148 THR H H 148 8.607 9.096 -0.489 1
1 1795 . 1 1 1 A 148 148 THR CA C 148 61.560 60.569 0.991 1
1 1796 . 1 1 1 A 148 148 THR HA H 148 4.431 5.143 -0.712 1
1 1797 . 1 1 1 A 148 148 THR CB C 148 70.966 70.561 0.405 1
1 1803 . 1 1 1 A 148 148 THR C C 148 172.797 173.663 -0.866 1
1 1 . 2 1 1 A 5 5 SER CA C 5 58.376 58.468 -0.092 1
1 2 . 2 1 1 A 5 5 SER HA H 5 4.528 4.449 0.079 1
1 3 . 2 1 1 A 5 5 SER CB C 5 63.813 63.125 0.688 1
1 5 . 2 1 1 A 5 5 SER C C 5 174.968 173.305 1.663 1
1 6 . 2 1 1 A 6 6 SER N N 6 117.996 123.970 -5.974 1
1 7 . 2 1 1 A 6 6 SER H H 6 8.503 8.765 -0.262 1
1 8 . 2 1 1 A 6 6 SER CA C 6 58.642 56.571 2.071 1
1 9 . 2 1 1 A 6 6 SER HA H 6 4.526 5.240 -0.714 1
1 10 . 2 1 1 A 6 6 SER CB C 6 63.855 64.731 -0.876 1
1 13 . 2 1 1 A 6 6 SER C C 6 175.129 173.171 1.958 1
1 14 . 2 1 1 A 7 7 GLY N N 7 110.904 113.309 -2.405 1
1 15 . 2 1 1 A 7 7 GLY H H 7 8.470 8.470 0.000 1
1 16 . 2 1 1 A 7 7 GLY CA C 7 45.430 45.723 -0.293 1
1 17 . 2 1 1 A 7 7 GLY HA2 H 7 4.030 4.154 -0.124 1
1 18 . 2 1 1 A 7 7 GLY HA3 H 7 4.030 4.160 -0.130 1
1 19 . 2 1 1 A 7 7 GLY C C 7 174.606 174.925 -0.319 1
1 20 . 2 1 1 A 8 8 GLY N N 8 108.942 113.347 -4.405 1
1 21 . 2 1 1 A 8 8 GLY H H 8 8.286 8.692 -0.406 1
1 22 . 2 1 1 A 8 8 GLY CA C 8 45.058 46.893 -1.835 1
1 23 . 2 1 1 A 8 8 GLY HA2 H 8 4.027 3.873 0.154 1
1 24 . 2 1 1 A 8 8 GLY HA3 H 8 4.199 3.874 0.325 1
1 25 . 2 1 1 A 8 8 GLY C C 8 173.943 175.014 -1.071 1
1 26 . 2 1 1 A 9 9 SER N N 9 115.435 117.235 -1.800 1
1 27 . 2 1 1 A 9 9 SER H H 9 8.275 8.005 0.270 1
1 28 . 2 1 1 A 9 9 SER CA C 9 57.847 58.354 -0.507 1
1 29 . 2 1 1 A 9 9 SER HA H 9 4.616 4.486 0.130 1
1 30 . 2 1 1 A 9 9 SER CB C 9 64.102 64.298 -0.196 1
1 33 . 2 1 1 A 9 9 SER C C 9 174.962 174.737 0.225 1
1 34 . 2 1 1 A 10 10 ARG N N 10 126.156 123.047 3.109 1
1 35 . 2 1 1 A 10 10 ARG H H 10 9.427 8.623 0.804 1
1 36 . 2 1 1 A 10 10 ARG CA C 10 56.662 58.661 -1.999 1
1 37 . 2 1 1 A 10 10 ARG HA H 10 4.332 4.186 0.146 1
1 38 . 2 1 1 A 10 10 ARG CB C 10 30.289 30.884 -0.595 1
1 49 . 2 1 1 A 10 10 ARG C C 10 175.504 177.028 -1.524 1
1 50 . 2 1 1 A 11 11 ILE N N 11 119.127 119.940 -0.813 1
1 51 . 2 1 1 A 11 11 ILE H H 11 8.176 7.837 0.339 1
1 52 . 2 1 1 A 11 11 ILE CA C 11 61.153 60.831 0.322 1
1 53 . 2 1 1 A 11 11 ILE HA H 11 4.553 3.999 0.554 1
1 54 . 2 1 1 A 11 11 ILE CB C 11 39.949 37.763 2.186 1
1 67 . 2 1 1 A 11 11 ILE C C 11 176.134 174.676 1.458 1
1 68 . 2 1 1 A 12 12 THR N N 12 124.682 123.459 1.223 1
1 69 . 2 1 1 A 12 12 THR H H 12 8.534 8.459 0.075 1
1 70 . 2 1 1 A 12 12 THR CA C 12 61.630 61.049 0.581 1
1 71 . 2 1 1 A 12 12 THR HA H 12 4.359 4.678 -0.319 1
1 72 . 2 1 1 A 12 12 THR CB C 12 70.705 71.119 -0.414 1
1 78 . 2 1 1 A 12 12 THR C C 12 171.804 173.332 -1.528 1
1 79 . 2 1 1 A 13 13 TYR N N 13 124.043 125.641 -1.598 1
1 80 . 2 1 1 A 13 13 TYR H H 13 8.691 8.707 -0.016 1
1 81 . 2 1 1 A 13 13 TYR CA C 13 57.846 57.109 0.737 1
1 82 . 2 1 1 A 13 13 TYR HA H 13 5.099 5.376 -0.277 1
1 83 . 2 1 1 A 13 13 TYR CB C 13 39.895 40.358 -0.463 1
1 94 . 2 1 1 A 13 13 TYR C C 13 175.924 175.142 0.782 1
1 95 . 2 1 1 A 14 14 VAL N N 14 124.012 122.665 1.347 1
1 96 . 2 1 1 A 14 14 VAL H H 14 8.633 9.265 -0.632 1
1 97 . 2 1 1 A 14 14 VAL CA C 14 60.958 59.901 1.057 1
1 98 . 2 1 1 A 14 14 VAL HA H 14 4.015 4.755 -0.740 1
1 99 . 2 1 1 A 14 14 VAL CB C 14 35.416 34.925 0.491 1
1 109 . 2 1 1 A 14 14 VAL C C 14 173.974 173.708 0.266 1
1 110 . 2 1 1 A 15 15 LYS N N 15 127.960 126.855 1.105 1
1 111 . 2 1 1 A 15 15 LYS H H 15 8.318 8.761 -0.443 1
1 112 . 2 1 1 A 15 15 LYS CA C 15 54.152 54.871 -0.719 1
1 113 . 2 1 1 A 15 15 LYS HA H 15 5.126 4.989 0.137 1
1 114 . 2 1 1 A 15 15 LYS CB C 15 32.086 34.117 -2.031 1
1 126 . 2 1 1 A 15 15 LYS C C 15 176.050 175.251 0.799 1
1 127 . 2 1 1 A 16 16 GLY N N 16 114.545 112.658 1.887 1
1 128 . 2 1 1 A 16 16 GLY H H 16 8.508 7.805 0.703 1
1 129 . 2 1 1 A 16 16 GLY CA C 16 45.006 44.073 0.933 1
1 130 . 2 1 1 A 16 16 GLY HA2 H 16 4.028 4.099 -0.071 1
1 131 . 2 1 1 A 16 16 GLY HA3 H 16 4.197 4.125 0.072 1
1 132 . 2 1 1 A 16 16 GLY C C 16 170.957 172.797 -1.840 1
1 133 . 2 1 1 A 17 17 ASP N N 17 119.423 121.723 -2.300 1
1 134 . 2 1 1 A 17 17 ASP H H 17 8.271 8.715 -0.444 1
1 135 . 2 1 1 A 17 17 ASP CA C 17 53.164 55.183 -2.019 1
1 136 . 2 1 1 A 17 17 ASP HA H 17 4.407 4.369 0.038 1
1 137 . 2 1 1 A 17 17 ASP CB C 17 41.912 41.595 0.317 1
1 140 . 2 1 1 A 17 17 ASP C C 17 176.089 175.974 0.115 1
1 141 . 2 1 1 A 18 18 LEU N N 18 130.056 124.900 5.156 1
1 142 . 2 1 1 A 18 18 LEU H H 18 8.304 8.594 -0.290 1
1 143 . 2 1 1 A 18 18 LEU CA C 18 57.156 55.373 1.783 1
1 144 . 2 1 1 A 18 18 LEU HA H 18 2.425 3.650 -1.225 1
1 145 . 2 1 1 A 18 18 LEU CB C 18 42.959 43.922 -0.963 1
1 158 . 2 1 1 A 18 18 LEU C C 18 175.737 177.614 -1.877 1
1 159 . 2 1 1 A 19 19 PHE N N 19 109.678 117.255 -7.577 1
1 160 . 2 1 1 A 19 19 PHE H H 19 7.461 7.406 0.055 1
1 161 . 2 1 1 A 19 19 PHE CA C 19 59.844 60.180 -0.336 1
1 162 . 2 1 1 A 19 19 PHE HA H 19 3.920 4.286 -0.366 1
1 163 . 2 1 1 A 19 19 PHE CB C 19 36.735 39.858 -3.123 1
1 176 . 2 1 1 A 19 19 PHE C C 19 175.833 178.010 -2.177 1
1 177 . 2 1 1 A 20 20 ALA N N 20 123.506 122.214 1.292 1
1 178 . 2 1 1 A 20 20 ALA H H 20 7.752 8.176 -0.424 1
1 179 . 2 1 1 A 20 20 ALA CA C 20 51.160 54.956 -3.796 1
1 180 . 2 1 1 A 20 20 ALA HA H 20 4.518 4.066 0.452 1
1 181 . 2 1 1 A 20 20 ALA CB C 20 18.395 18.215 0.180 1
1 185 . 2 1 1 A 20 20 ALA C C 20 176.772 179.739 -2.967 1
1 186 . 2 1 1 A 21 21 CYS N N 21 118.823 117.308 1.515 1
1 187 . 2 1 1 A 21 21 CYS H H 21 7.225 8.137 -0.912 1
1 188 . 2 1 1 A 21 21 CYS CA C 21 56.813 63.557 -6.744 1
1 189 . 2 1 1 A 21 21 CYS HA H 21 4.580 4.209 0.371 1
1 190 . 2 1 1 A 21 21 CYS CB C 21 25.916 26.630 -0.714 1
1 193 . 2 1 1 A 21 21 CYS C C 21 170.919 175.270 -4.351 1
1 194 . 2 1 1 A 22 22 PRO CA C 22 64.000 62.724 1.276 1
1 195 . 2 1 1 A 22 22 PRO HA H 22 4.373 4.496 -0.123 1
1 196 . 2 1 1 A 22 22 PRO CB C 22 31.802 33.007 -1.205 1
1 205 . 2 1 1 A 22 22 PRO C C 22 178.609 176.508 2.101 1
1 206 . 2 1 1 A 23 23 LYS N N 23 122.870 119.816 3.054 1
1 207 . 2 1 1 A 23 23 LYS H H 23 8.785 8.998 -0.213 1
1 208 . 2 1 1 A 23 23 LYS CA C 23 58.671 56.992 1.679 1
1 209 . 2 1 1 A 23 23 LYS HA H 23 4.103 4.498 -0.395 1
1 210 . 2 1 1 A 23 23 LYS CB C 23 32.078 34.905 -2.827 1
1 222 . 2 1 1 A 23 23 LYS C C 23 175.722 178.067 -2.345 1
1 223 . 2 1 1 A 24 24 THR N N 24 102.744 105.683 -2.939 1
1 224 . 2 1 1 A 24 24 THR H H 24 7.097 7.505 -0.408 1
1 225 . 2 1 1 A 24 24 THR CA C 24 61.064 61.637 -0.573 1
1 226 . 2 1 1 A 24 24 THR HA H 24 4.166 4.596 -0.430 1
1 227 . 2 1 1 A 24 24 THR CB C 24 68.805 70.629 -1.824 1
1 233 . 2 1 1 A 24 24 THR C C 24 176.216 174.590 1.626 1
1 234 . 2 1 1 A 25 25 ASP N N 25 125.303 124.585 0.718 1
1 235 . 2 1 1 A 25 25 ASP H H 25 7.768 7.655 0.113 1
1 236 . 2 1 1 A 25 25 ASP CA C 25 55.246 55.284 -0.038 1
1 237 . 2 1 1 A 25 25 ASP HA H 25 4.536 4.519 0.017 1
1 238 . 2 1 1 A 25 25 ASP CB C 25 40.321 40.983 -0.662 1
1 241 . 2 1 1 A 25 25 ASP C C 25 177.718 175.706 2.012 1
1 242 . 2 1 1 A 26 26 SER N N 26 118.303 118.636 -0.333 1
1 243 . 2 1 1 A 26 26 SER H H 26 8.472 8.643 -0.171 1
1 244 . 2 1 1 A 26 26 SER CA C 26 61.547 58.316 3.231 1
1 245 . 2 1 1 A 26 26 SER HA H 26 5.138 4.663 0.475 1
1 246 . 2 1 1 A 26 26 SER CB C 26 65.326 64.950 0.376 1
1 249 . 2 1 1 A 26 26 SER C C 26 172.446 173.723 -1.277 1
1 250 . 2 1 1 A 27 27 LEU N N 27 121.957 121.893 0.064 1
1 251 . 2 1 1 A 27 27 LEU H H 27 8.553 8.174 0.379 1
1 252 . 2 1 1 A 27 27 LEU CA C 27 53.919 53.424 0.495 1
1 253 . 2 1 1 A 27 27 LEU HA H 27 6.004 5.767 0.237 1
1 254 . 2 1 1 A 27 27 LEU CB C 27 48.728 46.144 2.584 1
1 267 . 2 1 1 A 27 27 LEU C C 27 176.071 176.120 -0.049 1
1 268 . 2 1 1 A 28 28 ALA N N 28 119.120 122.211 -3.091 1
1 269 . 2 1 1 A 28 28 ALA H H 28 8.083 8.255 -0.172 1
1 270 . 2 1 1 A 28 28 ALA CA C 28 50.738 51.801 -1.063 1
1 271 . 2 1 1 A 28 28 ALA HA H 28 5.833 5.422 0.411 1
1 272 . 2 1 1 A 28 28 ALA CB C 28 24.493 21.044 3.449 1
1 276 . 2 1 1 A 28 28 ALA C C 28 174.396 175.491 -1.095 1
1 277 . 2 1 1 A 29 29 HIS N N 29 111.296 123.275 -11.979 1
1 278 . 2 1 1 A 29 29 HIS H H 29 8.042 8.495 -0.453 1
1 279 . 2 1 1 A 29 29 HIS CA C 29 55.617 54.668 0.949 1
1 280 . 2 1 1 A 29 29 HIS HA H 29 4.552 5.123 -0.571 1
1 281 . 2 1 1 A 29 29 HIS CB C 29 31.644 33.004 -1.360 1
1 288 . 2 1 1 A 29 29 HIS C C 29 172.453 172.673 -0.220 1
1 289 . 2 1 1 A 30 30 CYS N N 30 115.842 122.028 -6.186 1
1 290 . 2 1 1 A 30 30 CYS H H 30 8.182 7.614 0.568 1
1 291 . 2 1 1 A 30 30 CYS CA C 30 57.610 56.691 0.919 1
1 292 . 2 1 1 A 30 30 CYS HA H 30 5.489 5.409 0.080 1
1 293 . 2 1 1 A 30 30 CYS CB C 30 30.518 30.274 0.244 1
1 296 . 2 1 1 A 30 30 CYS C C 30 175.085 174.203 0.882 1
1 297 . 2 1 1 A 31 31 ILE N N 31 117.447 122.153 -4.706 1
1 298 . 2 1 1 A 31 31 ILE H H 31 9.209 9.041 0.168 1
1 299 . 2 1 1 A 31 31 ILE CA C 31 60.057 58.766 1.291 1
1 300 . 2 1 1 A 31 31 ILE HA H 31 4.816 5.110 -0.294 1
1 301 . 2 1 1 A 31 31 ILE CB C 31 43.206 42.260 0.946 1
1 314 . 2 1 1 A 31 31 ILE C C 31 173.249 175.298 -2.049 1
1 315 . 2 1 1 A 32 32 SER N N 32 111.596 116.750 -5.154 1
1 316 . 2 1 1 A 32 32 SER H H 32 7.858 8.467 -0.609 1
1 317 . 2 1 1 A 32 32 SER CA C 32 55.599 56.626 -1.027 1
1 318 . 2 1 1 A 32 32 SER HA H 32 5.139 5.035 0.104 1
1 319 . 2 1 1 A 32 32 SER CB C 32 66.377 66.431 -0.054 1
1 322 . 2 1 1 A 32 32 SER C C 32 176.120 176.053 0.067 1
1 323 . 2 1 1 A 33 33 GLU N N 33 118.525 120.277 -1.752 1
1 324 . 2 1 1 A 33 33 GLU H H 33 8.189 8.544 -0.355 1
1 325 . 2 1 1 A 33 33 GLU CA C 33 59.273 60.057 -0.784 1
1 326 . 2 1 1 A 33 33 GLU HA H 33 3.759 4.073 -0.314 1
1 327 . 2 1 1 A 33 33 GLU CB C 33 30.553 29.344 1.209 1
1 333 . 2 1 1 A 33 33 GLU C C 33 177.446 177.680 -0.234 1
1 334 . 2 1 1 A 34 34 ASP N N 34 113.498 116.778 -3.280 1
1 335 . 2 1 1 A 34 34 ASP H H 34 7.480 7.936 -0.456 1
1 336 . 2 1 1 A 34 34 ASP CA C 34 54.511 53.975 0.536 1
1 337 . 2 1 1 A 34 34 ASP HA H 34 4.342 4.770 -0.428 1
1 338 . 2 1 1 A 34 34 ASP CB C 34 40.374 40.784 -0.410 1
1 341 . 2 1 1 A 34 34 ASP C C 34 175.854 174.897 0.957 1
1 342 . 2 1 1 A 35 35 CYS N N 35 111.837 115.680 -3.843 1
1 343 . 2 1 1 A 35 35 CYS H H 35 8.327 7.812 0.515 1
1 344 . 2 1 1 A 35 35 CYS CA C 35 61.093 60.825 0.268 1
1 345 . 2 1 1 A 35 35 CYS HA H 35 3.772 4.172 -0.400 1
1 346 . 2 1 1 A 35 35 CYS CB C 35 25.679 25.834 -0.155 1
1 349 . 2 1 1 A 35 35 CYS C C 35 173.370 173.791 -0.421 1
1 350 . 2 1 1 A 36 36 ARG N N 36 117.440 120.000 -2.560 1
1 351 . 2 1 1 A 36 36 ARG H H 36 7.473 7.914 -0.441 1
1 352 . 2 1 1 A 36 36 ARG CA C 36 57.988 55.054 2.934 1
1 353 . 2 1 1 A 36 36 ARG HA H 36 3.981 4.498 -0.517 1
1 354 . 2 1 1 A 36 36 ARG CB C 36 30.430 28.676 1.754 1
1 363 . 2 1 1 A 36 36 ARG C C 36 177.233 174.951 2.282 1
1 364 . 2 1 1 A 37 37 MET CA C 37 56.118 54.422 1.696 1
1 365 . 2 1 1 A 37 37 MET HA H 37 4.036 5.067 -1.031 1
1 373 . 2 1 1 A 38 38 GLY H H 38 8.192 8.464 -0.272 1
1 374 . 2 1 1 A 38 38 GLY CA C 38 45.670 45.737 -0.067 1
1 375 . 2 1 1 A 38 38 GLY HA2 H 38 4.220 4.211 0.009 1
1 376 . 2 1 1 A 38 38 GLY HA3 H 38 3.595 4.220 -0.625 1
1 377 . 2 1 1 A 38 38 GLY C C 38 173.799 173.388 0.411 1
1 378 . 2 1 1 A 39 39 ALA N N 39 122.002 120.893 1.109 1
1 379 . 2 1 1 A 39 39 ALA H H 39 7.697 7.834 -0.137 1
1 380 . 2 1 1 A 39 39 ALA CA C 39 51.019 51.835 -0.816 1
1 381 . 2 1 1 A 39 39 ALA HA H 39 4.678 4.708 -0.030 1
1 382 . 2 1 1 A 39 39 ALA CB C 39 22.608 22.146 0.462 1
1 386 . 2 1 1 A 39 39 ALA C C 39 176.769 176.695 0.074 1
1 387 . 2 1 1 A 40 40 GLY N N 40 107.149 113.000 -5.851 1
1 388 . 2 1 1 A 40 40 GLY H H 40 8.731 8.973 -0.242 1
1 389 . 2 1 1 A 40 40 GLY CA C 40 45.768 45.286 0.482 1
1 390 . 2 1 1 A 40 40 GLY HA2 H 40 3.957 4.046 -0.089 1
1 391 . 2 1 1 A 40 40 GLY HA3 H 40 4.220 4.059 0.161 1
1 392 . 2 1 1 A 40 40 GLY C C 40 176.747 175.084 1.663 1
1 393 . 2 1 1 A 41 41 ILE CA C 41 63.397 63.186 0.211 1
1 394 . 2 1 1 A 41 41 ILE HA H 41 4.312 3.990 0.322 1
1 395 . 2 1 1 A 41 41 ILE CB C 41 38.794 38.293 0.501 1
1 408 . 2 1 1 A 41 41 ILE C C 41 177.249 177.879 -0.630 1
1 409 . 2 1 1 A 42 42 ALA N N 42 124.835 123.908 0.927 1
1 410 . 2 1 1 A 42 42 ALA H H 42 8.629 8.285 0.344 1
1 411 . 2 1 1 A 42 42 ALA CA C 42 55.599 55.264 0.335 1
1 412 . 2 1 1 A 42 42 ALA HA H 42 4.377 3.751 0.626 1
1 413 . 2 1 1 A 42 42 ALA CB C 42 18.155 18.267 -0.112 1
1 417 . 2 1 1 A 42 42 ALA C C 42 179.079 180.588 -1.509 1
1 418 . 2 1 1 A 43 43 VAL N N 43 116.015 118.911 -2.896 1
1 419 . 2 1 1 A 43 43 VAL H H 43 7.363 7.951 -0.588 1
1 420 . 2 1 1 A 43 43 VAL CA C 43 65.623 66.981 -1.358 1
1 421 . 2 1 1 A 43 43 VAL HA H 43 3.822 3.546 0.276 1
1 422 . 2 1 1 A 43 43 VAL CB C 43 32.408 31.326 1.082 1
1 432 . 2 1 1 A 43 43 VAL C C 43 178.285 177.926 0.359 1
1 433 . 2 1 1 A 44 44 LEU N N 44 119.736 120.490 -0.754 1
1 434 . 2 1 1 A 44 44 LEU H H 44 7.357 8.221 -0.864 1
1 435 . 2 1 1 A 44 44 LEU CA C 44 57.460 58.321 -0.861 1
1 436 . 2 1 1 A 44 44 LEU HA H 44 3.968 3.928 0.040 1
1 437 . 2 1 1 A 44 44 LEU CB C 44 41.234 41.841 -0.607 1
1 450 . 2 1 1 A 44 44 LEU C C 44 179.972 179.459 0.513 1
1 451 . 2 1 1 A 45 45 PHE N N 45 118.434 118.208 0.226 1
1 452 . 2 1 1 A 45 45 PHE H H 45 7.733 8.212 -0.479 1
1 453 . 2 1 1 A 45 45 PHE CA C 45 63.151 60.970 2.181 1
1 454 . 2 1 1 A 45 45 PHE HA H 45 4.009 4.199 -0.190 1
1 455 . 2 1 1 A 45 45 PHE CB C 45 39.883 38.759 1.124 1
1 468 . 2 1 1 A 45 45 PHE C C 45 180.448 178.734 1.714 1
1 469 . 2 1 1 A 46 46 LYS N N 46 124.749 118.228 6.521 1
1 470 . 2 1 1 A 46 46 LYS H H 46 8.819 8.122 0.697 1
1 471 . 2 1 1 A 46 46 LYS CA C 46 60.958 58.890 2.068 1
1 472 . 2 1 1 A 46 46 LYS HA H 46 4.160 4.217 -0.057 1
1 473 . 2 1 1 A 46 46 LYS CB C 46 31.930 31.752 0.178 1
1 485 . 2 1 1 A 46 46 LYS C C 46 179.139 178.406 0.733 1
1 486 . 2 1 1 A 47 47 LYS N N 47 119.317 119.119 0.198 1
1 487 . 2 1 1 A 47 47 LYS H H 47 8.154 7.713 0.441 1
1 488 . 2 1 1 A 47 47 LYS CA C 47 59.331 58.764 0.567 1
1 489 . 2 1 1 A 47 47 LYS HA H 47 3.939 4.203 -0.264 1
1 490 . 2 1 1 A 47 47 LYS CB C 47 33.065 32.995 0.070 1
1 502 . 2 1 1 A 47 47 LYS C C 47 178.108 178.631 -0.523 1
1 503 . 2 1 1 A 48 48 LYS N N 48 116.005 119.777 -3.772 1
1 504 . 2 1 1 A 48 48 LYS H H 48 7.976 7.993 -0.017 1
1 505 . 2 1 1 A 48 48 LYS CA C 48 58.650 58.726 -0.076 1
1 506 . 2 1 1 A 48 48 LYS HA H 48 3.684 3.626 0.058 1
1 507 . 2 1 1 A 48 48 LYS CB C 48 32.372 31.525 0.847 1
1 519 . 2 1 1 A 48 48 LYS C C 48 178.213 177.354 0.859 1
1 520 . 2 1 1 A 49 49 PHE N N 49 112.629 113.303 -0.674 1
1 521 . 2 1 1 A 49 49 PHE H H 49 7.658 7.723 -0.065 1
1 522 . 2 1 1 A 49 49 PHE CA C 49 56.958 58.839 -1.881 1
1 523 . 2 1 1 A 49 49 PHE HA H 49 5.028 4.657 0.371 1
1 524 . 2 1 1 A 49 49 PHE CB C 49 40.496 41.093 -0.597 1
1 537 . 2 1 1 A 49 49 PHE C C 49 176.188 176.794 -0.606 1
1 538 . 2 1 1 A 50 50 GLY N N 50 108.499 108.204 0.295 1
1 539 . 2 1 1 A 50 50 GLY H H 50 7.821 7.844 -0.023 1
1 540 . 2 1 1 A 50 50 GLY CA C 50 46.579 47.068 -0.489 1
1 541 . 2 1 1 A 50 50 GLY HA2 H 50 3.953 3.985 -0.032 1
1 542 . 2 1 1 A 50 50 GLY HA3 H 50 3.953 4.018 -0.065 1
1 543 . 2 1 1 A 50 50 GLY C C 50 174.288 175.770 -1.482 1
1 544 . 2 1 1 A 51 51 GLY N N 51 108.968 109.517 -0.549 1
1 545 . 2 1 1 A 51 51 GLY H H 51 8.600 8.315 0.285 1
1 546 . 2 1 1 A 51 51 GLY CA C 51 46.597 47.137 -0.540 1
1 547 . 2 1 1 A 51 51 GLY HA2 H 51 3.943 3.876 0.067 1
1 548 . 2 1 1 A 51 51 GLY HA3 H 51 4.047 3.876 0.171 1
1 549 . 2 1 1 A 51 51 GLY C C 51 174.522 175.578 -1.056 1
1 550 . 2 1 1 A 52 52 VAL N N 52 118.929 119.580 -0.651 1
1 551 . 2 1 1 A 52 52 VAL H H 52 7.980 8.021 -0.041 1
1 552 . 2 1 1 A 52 52 VAL CA C 52 68.080 65.509 2.571 1
1 553 . 2 1 1 A 52 52 VAL HA H 52 3.334 3.793 -0.459 1
1 554 . 2 1 1 A 52 52 VAL CB C 52 31.150 31.291 -0.141 1
1 564 . 2 1 1 A 52 52 VAL C C 52 177.566 177.758 -0.192 1
1 565 . 2 1 1 A 53 53 GLN N N 53 116.880 120.384 -3.504 1
1 566 . 2 1 1 A 53 53 GLN H H 53 8.513 7.934 0.579 1
1 567 . 2 1 1 A 53 53 GLN CA C 53 58.730 58.456 0.274 1
1 568 . 2 1 1 A 53 53 GLN HA H 53 3.946 4.122 -0.176 1
1 569 . 2 1 1 A 53 53 GLN CB C 53 28.098 28.534 -0.436 1
1 578 . 2 1 1 A 53 53 GLN C C 53 177.916 178.558 -0.642 1
1 579 . 2 1 1 A 54 54 GLU N N 54 119.584 119.490 0.094 1
1 580 . 2 1 1 A 54 54 GLU H H 54 7.525 8.024 -0.499 1
1 581 . 2 1 1 A 54 54 GLU CA C 54 59.754 59.079 0.675 1
1 582 . 2 1 1 A 54 54 GLU HA H 54 3.980 4.053 -0.073 1
1 583 . 2 1 1 A 54 54 GLU CB C 54 29.509 29.523 -0.014 1
1 589 . 2 1 1 A 54 54 GLU C C 54 180.168 179.658 0.510 1
1 590 . 2 1 1 A 55 55 LEU N N 55 121.130 120.647 0.483 1
1 591 . 2 1 1 A 55 55 LEU H H 55 8.437 7.917 0.520 1
1 592 . 2 1 1 A 55 55 LEU CA C 55 58.005 57.846 0.159 1
1 593 . 2 1 1 A 55 55 LEU HA H 55 3.870 3.898 -0.028 1
1 594 . 2 1 1 A 55 55 LEU CB C 55 42.588 41.380 1.208 1
1 607 . 2 1 1 A 55 55 LEU C C 55 180.835 179.362 1.473 1
1 608 . 2 1 1 A 56 56 LEU N N 56 123.508 118.497 5.011 1
1 609 . 2 1 1 A 56 56 LEU H H 56 8.664 8.222 0.442 1
1 610 . 2 1 1 A 56 56 LEU CA C 56 58.397 57.701 0.696 1
1 611 . 2 1 1 A 56 56 LEU HA H 56 3.972 3.911 0.061 1
1 612 . 2 1 1 A 56 56 LEU CB C 56 42.087 41.389 0.698 1
1 625 . 2 1 1 A 56 56 LEU C C 56 181.257 178.902 2.355 1
1 626 . 2 1 1 A 57 57 ASN N N 57 116.946 118.508 -1.562 1
1 627 . 2 1 1 A 57 57 ASN H H 57 8.334 7.904 0.430 1
1 628 . 2 1 1 A 57 57 ASN CA C 57 54.627 56.505 -1.878 1
1 629 . 2 1 1 A 57 57 ASN HA H 57 4.566 4.445 0.121 1
1 630 . 2 1 1 A 57 57 ASN CB C 57 38.170 37.945 0.225 1
1 636 . 2 1 1 A 57 57 ASN C C 57 176.756 177.448 -0.692 1
1 637 . 2 1 1 A 58 58 GLN N N 58 118.214 116.589 1.625 1
1 638 . 2 1 1 A 58 58 GLN H H 58 7.670 7.895 -0.225 1
1 639 . 2 1 1 A 58 58 GLN CA C 58 58.022 55.852 2.170 1
1 640 . 2 1 1 A 58 58 GLN HA H 58 4.184 4.293 -0.109 1
1 641 . 2 1 1 A 58 58 GLN CB C 58 28.460 29.019 -0.559 1
1 650 . 2 1 1 A 58 58 GLN C C 58 175.792 175.426 0.366 1
1 651 . 2 1 1 A 59 59 GLN N N 59 114.113 116.428 -2.315 1
1 652 . 2 1 1 A 59 59 GLN H H 59 7.825 8.142 -0.317 1
1 653 . 2 1 1 A 59 59 GLN CA C 59 56.584 56.830 -0.246 1
1 654 . 2 1 1 A 59 59 GLN HA H 59 4.015 3.809 0.206 1
1 655 . 2 1 1 A 59 59 GLN CB C 59 26.829 26.167 0.662 1
1 664 . 2 1 1 A 59 59 GLN C C 59 175.049 175.073 -0.024 1
1 665 . 2 1 1 A 60 60 LYS N N 60 118.472 118.671 -0.199 1
1 666 . 2 1 1 A 60 60 LYS H H 60 9.134 8.153 0.981 1
1 667 . 2 1 1 A 60 60 LYS CA C 60 54.005 56.445 -2.440 1
1 668 . 2 1 1 A 60 60 LYS HA H 60 4.458 4.419 0.039 1
1 669 . 2 1 1 A 60 60 LYS CB C 60 32.573 34.090 -1.517 1
1 681 . 2 1 1 A 60 60 LYS C C 60 176.936 175.433 1.503 1
1 682 . 2 1 1 A 61 61 LYS N N 61 121.877 119.836 2.041 1
1 683 . 2 1 1 A 61 61 LYS H H 61 9.069 8.585 0.484 1
1 684 . 2 1 1 A 61 61 LYS CA C 61 53.421 54.400 -0.979 1
1 685 . 2 1 1 A 61 61 LYS HA H 61 4.517 4.787 -0.270 1
1 686 . 2 1 1 A 61 61 LYS CB C 61 35.816 36.751 -0.935 1
1 698 . 2 1 1 A 61 61 LYS C C 61 175.049 176.035 -0.986 1
1 699 . 2 1 1 A 62 62 SER N N 62 114.153 115.862 -1.709 1
1 700 . 2 1 1 A 62 62 SER H H 62 8.524 8.354 0.170 1
1 701 . 2 1 1 A 62 62 SER CA C 62 60.959 59.601 1.358 1
1 702 . 2 1 1 A 62 62 SER HA H 62 3.954 4.626 -0.672 1
1 703 . 2 1 1 A 62 62 SER CB C 62 64.374 62.784 1.590 1
1 706 . 2 1 1 A 62 62 SER C C 62 175.660 174.845 0.815 1
1 707 . 2 1 1 A 63 63 GLY N N 63 111.615 113.398 -1.783 1
1 708 . 2 1 1 A 63 63 GLY H H 63 9.308 8.456 0.852 1
1 709 . 2 1 1 A 63 63 GLY CA C 63 44.971 45.206 -0.235 1
1 710 . 2 1 1 A 63 63 GLY HA2 H 63 4.188 4.020 0.168 1
1 711 . 2 1 1 A 63 63 GLY HA3 H 63 4.188 4.024 0.164 1
1 712 . 2 1 1 A 63 63 GLY C C 63 172.420 173.973 -1.553 1
1 713 . 2 1 1 A 64 64 GLU N N 64 117.287 119.871 -2.584 1
1 714 . 2 1 1 A 64 64 GLU H H 64 7.909 8.019 -0.110 1
1 715 . 2 1 1 A 64 64 GLU CA C 64 53.972 54.609 -0.637 1
1 716 . 2 1 1 A 64 64 GLU HA H 64 4.549 4.772 -0.223 1
1 717 . 2 1 1 A 64 64 GLU CB C 64 32.449 32.249 0.200 1
1 723 . 2 1 1 A 64 64 GLU C C 64 174.611 174.913 -0.302 1
1 724 . 2 1 1 A 65 65 VAL N N 65 118.093 121.184 -3.091 1
1 725 . 2 1 1 A 65 65 VAL H H 65 8.337 8.981 -0.644 1
1 726 . 2 1 1 A 65 65 VAL CA C 65 59.380 59.656 -0.276 1
1 727 . 2 1 1 A 65 65 VAL HA H 65 5.149 5.008 0.141 1
1 728 . 2 1 1 A 65 65 VAL CB C 65 35.892 35.636 0.256 1
1 738 . 2 1 1 A 65 65 VAL C C 65 172.013 173.308 -1.295 1
1 739 . 2 1 1 A 66 66 ALA N N 66 130.790 129.564 1.226 1
1 740 . 2 1 1 A 66 66 ALA H H 66 8.876 8.701 0.175 1
1 741 . 2 1 1 A 66 66 ALA CA C 66 50.170 50.504 -0.334 1
1 742 . 2 1 1 A 66 66 ALA HA H 66 4.879 5.292 -0.413 1
1 743 . 2 1 1 A 66 66 ALA CB C 66 21.291 21.093 0.198 1
1 747 . 2 1 1 A 66 66 ALA C C 66 175.997 176.318 -0.321 1
1 748 . 2 1 1 A 67 67 VAL N N 67 119.453 121.871 -2.418 1
1 749 . 2 1 1 A 67 67 VAL H H 67 8.615 8.241 0.374 1
1 750 . 2 1 1 A 67 67 VAL CA C 67 61.078 61.009 0.069 1
1 751 . 2 1 1 A 67 67 VAL HA H 67 5.255 5.207 0.048 1
1 752 . 2 1 1 A 67 67 VAL CB C 67 36.283 34.335 1.948 1
1 762 . 2 1 1 A 67 67 VAL C C 67 176.213 174.785 1.428 1
1 763 . 2 1 1 A 68 68 LEU N N 68 126.404 128.848 -2.444 1
1 764 . 2 1 1 A 68 68 LEU H H 68 9.013 8.415 0.598 1
1 765 . 2 1 1 A 68 68 LEU CA C 68 53.424 54.075 -0.651 1
1 766 . 2 1 1 A 68 68 LEU HA H 68 4.809 4.913 -0.104 1
1 767 . 2 1 1 A 68 68 LEU CB C 68 46.473 45.842 0.631 1
1 780 . 2 1 1 A 68 68 LEU C C 68 174.704 174.499 0.205 1
1 781 . 2 1 1 A 69 69 LYS N N 69 123.462 128.241 -4.779 1
1 782 . 2 1 1 A 69 69 LYS H H 69 8.756 8.777 -0.021 1
1 783 . 2 1 1 A 69 69 LYS CA C 69 55.228 55.957 -0.729 1
1 784 . 2 1 1 A 69 69 LYS HA H 69 4.791 4.842 -0.051 1
1 785 . 2 1 1 A 69 69 LYS CB C 69 33.820 32.777 1.043 1
1 797 . 2 1 1 A 69 69 LYS C C 69 177.387 175.564 1.823 1
1 798 . 2 1 1 A 70 70 ARG N N 70 127.852 127.026 0.826 1
1 799 . 2 1 1 A 70 70 ARG H H 70 8.688 8.720 -0.032 1
1 800 . 2 1 1 A 70 70 ARG CA C 70 52.929 54.306 -1.377 1
1 801 . 2 1 1 A 70 70 ARG CB C 70 34.028 33.863 0.165 1
1 809 . 2 1 1 A 70 70 ARG C C 70 175.460 175.219 0.241 1
1 810 . 2 1 1 A 71 71 ASP CA C 71 55.193 55.064 0.129 1
1 811 . 2 1 1 A 71 71 ASP HA H 71 4.268 4.274 -0.006 1
1 812 . 2 1 1 A 71 71 ASP CB C 71 40.326 39.826 0.500 1
1 815 . 2 1 1 A 71 71 ASP C C 71 175.970 175.514 0.456 1
1 816 . 2 1 1 A 72 72 GLY N N 72 104.319 104.890 -0.571 1
1 817 . 2 1 1 A 72 72 GLY H H 72 8.642 8.624 0.018 1
1 818 . 2 1 1 A 72 72 GLY CA C 72 45.692 46.665 -0.973 1
1 819 . 2 1 1 A 72 72 GLY HA2 H 72 4.062 3.846 0.216 1
1 820 . 2 1 1 A 72 72 GLY HA3 H 72 3.516 3.871 -0.355 1
1 821 . 2 1 1 A 72 72 GLY C C 72 172.604 173.322 -0.718 1
1 822 . 2 1 1 A 73 73 ARG N N 73 118.257 114.943 3.314 1
1 823 . 2 1 1 A 73 73 ARG H H 73 7.794 7.561 0.233 1
1 824 . 2 1 1 A 73 73 ARG CA C 73 52.893 54.183 -1.290 1
1 825 . 2 1 1 A 73 73 ARG HA H 73 4.560 4.409 0.151 1
1 826 . 2 1 1 A 73 73 ARG CB C 73 31.831 32.741 -0.910 1
1 837 . 2 1 1 A 73 73 ARG C C 73 173.057 173.680 -0.623 1
1 838 . 2 1 1 A 74 74 TYR N N 74 117.830 119.487 -1.657 1
1 839 . 2 1 1 A 74 74 TYR H H 74 8.366 8.151 0.215 1
1 840 . 2 1 1 A 74 74 TYR CA C 74 57.987 56.795 1.192 1
1 841 . 2 1 1 A 74 74 TYR HA H 74 5.005 5.050 -0.045 1
1 842 . 2 1 1 A 74 74 TYR CB C 74 40.473 39.166 1.307 1
1 853 . 2 1 1 A 74 74 TYR C C 74 173.530 174.486 -0.956 1
1 854 . 2 1 1 A 75 75 ILE N N 75 120.880 124.612 -3.732 1
1 855 . 2 1 1 A 75 75 ILE H H 75 8.923 8.643 0.280 1
1 856 . 2 1 1 A 75 75 ILE CA C 75 59.632 60.235 -0.603 1
1 857 . 2 1 1 A 75 75 ILE HA H 75 4.398 4.489 -0.091 1
1 858 . 2 1 1 A 75 75 ILE CB C 75 37.608 38.767 -1.159 1
1 871 . 2 1 1 A 75 75 ILE C C 75 174.203 174.880 -0.677 1
1 872 . 2 1 1 A 76 76 TYR N N 76 125.586 126.877 -1.291 1
1 873 . 2 1 1 A 76 76 TYR H H 76 9.540 8.927 0.613 1
1 874 . 2 1 1 A 76 76 TYR CA C 76 59.137 56.254 2.883 1
1 875 . 2 1 1 A 76 76 TYR HA H 76 4.630 5.675 -1.045 1
1 876 . 2 1 1 A 76 76 TYR CB C 76 39.909 40.963 -1.054 1
1 887 . 2 1 1 A 76 76 TYR C C 76 174.280 174.469 -0.189 1
1 888 . 2 1 1 A 77 77 TYR N N 77 123.524 122.890 0.634 1
1 889 . 2 1 1 A 77 77 TYR H H 77 9.221 9.174 0.047 1
1 890 . 2 1 1 A 77 77 TYR CA C 77 55.476 56.474 -0.998 1
1 891 . 2 1 1 A 77 77 TYR HA H 77 4.155 5.128 -0.973 1
1 892 . 2 1 1 A 77 77 TYR CB C 77 35.926 39.058 -3.132 1
1 903 . 2 1 1 A 77 77 TYR C C 77 174.236 175.205 -0.969 1
1 904 . 2 1 1 A 78 78 LEU N N 78 123.875 125.653 -1.778 1
1 905 . 2 1 1 A 78 78 LEU H H 78 8.948 8.542 0.406 1
1 906 . 2 1 1 A 78 78 LEU CA C 78 55.635 55.842 -0.207 1
1 907 . 2 1 1 A 78 78 LEU HA H 78 4.134 4.351 -0.217 1
1 908 . 2 1 1 A 78 78 LEU CB C 78 40.856 41.895 -1.039 1
1 921 . 2 1 1 A 78 78 LEU C C 78 175.294 176.254 -0.960 1
1 922 . 2 1 1 A 79 79 ILE N N 79 127.986 125.424 2.562 1
1 923 . 2 1 1 A 79 79 ILE H H 79 8.322 8.515 -0.193 1
1 924 . 2 1 1 A 79 79 ILE CA C 79 59.349 60.150 -0.801 1
1 925 . 2 1 1 A 79 79 ILE HA H 79 4.372 4.577 -0.205 1
1 926 . 2 1 1 A 79 79 ILE CB C 79 34.277 38.600 -4.323 1
1 939 . 2 1 1 A 79 79 ILE C C 79 176.505 176.442 0.063 1
1 940 . 2 1 1 A 80 80 THR N N 80 113.978 117.987 -4.009 1
1 941 . 2 1 1 A 80 80 THR H H 80 8.276 8.742 -0.466 1
1 942 . 2 1 1 A 80 80 THR CA C 80 61.646 62.030 -0.384 1
1 943 . 2 1 1 A 80 80 THR HA H 80 4.334 4.621 -0.287 1
1 944 . 2 1 1 A 80 80 THR CB C 80 69.165 70.482 -1.317 1
1 950 . 2 1 1 A 80 80 THR C C 80 172.999 173.958 -0.959 1
1 951 . 2 1 1 A 81 81 LYS N N 81 114.856 119.790 -4.934 1
1 952 . 2 1 1 A 81 81 LYS H H 81 7.512 7.606 -0.094 1
1 953 . 2 1 1 A 81 81 LYS CA C 81 54.894 54.632 0.262 1
1 954 . 2 1 1 A 81 81 LYS HA H 81 4.649 4.891 -0.242 1
1 955 . 2 1 1 A 81 81 LYS CB C 81 34.139 35.006 -0.867 1
1 964 . 2 1 1 A 81 81 LYS C C 81 175.344 176.185 -0.841 1
1 965 . 2 1 1 A 82 82 LYS N N 82 121.209 118.802 2.407 1
1 966 . 2 1 1 A 82 82 LYS H H 82 9.577 8.864 0.713 1
1 967 . 2 1 1 A 82 82 LYS CA C 82 60.198 57.250 2.948 1
1 968 . 2 1 1 A 82 82 LYS HA H 82 3.884 4.505 -0.621 1
1 969 . 2 1 1 A 82 82 LYS CB C 82 33.603 33.158 0.445 1
1 981 . 2 1 1 A 82 82 LYS C C 82 176.049 176.724 -0.675 1
1 982 . 2 1 1 A 83 83 ARG N N 83 112.456 117.457 -5.001 1
1 983 . 2 1 1 A 83 83 ARG H H 83 6.717 7.721 -1.004 1
1 984 . 2 1 1 A 83 83 ARG CA C 83 52.451 54.091 -1.640 1
1 985 . 2 1 1 A 83 83 ARG HA H 83 4.691 4.758 -0.067 1
1 986 . 2 1 1 A 83 83 ARG CB C 83 32.857 33.526 -0.669 1
1 995 . 2 1 1 A 83 83 ARG C C 83 177.299 176.388 0.911 1
1 996 . 2 1 1 A 84 84 ALA N N 84 124.857 125.013 -0.156 1
1 997 . 2 1 1 A 84 84 ALA H H 84 9.290 8.963 0.327 1
1 998 . 2 1 1 A 84 84 ALA CA C 84 56.005 55.498 0.507 1
1 999 . 2 1 1 A 84 84 ALA HA H 84 3.895 3.952 -0.057 1
1 1000 . 2 1 1 A 84 84 ALA CB C 84 19.175 18.187 0.988 1
1 1004 . 2 1 1 A 84 84 ALA C C 84 178.350 179.357 -1.007 1
1 1005 . 2 1 1 A 85 85 SER CA C 85 58.631 61.109 -2.478 1
1 1006 . 2 1 1 A 85 85 SER HA H 85 4.338 3.986 0.352 1
1 1007 . 2 1 1 A 85 85 SER CB C 85 63.277 62.769 0.508 1
1 1010 . 2 1 1 A 85 85 SER C C 85 175.469 174.442 1.027 1
1 1011 . 2 1 1 A 86 86 HIS N N 86 121.978 117.414 4.564 1
1 1012 . 2 1 1 A 86 86 HIS H H 86 7.560 7.853 -0.293 1
1 1013 . 2 1 1 A 86 86 HIS CA C 86 54.468 55.821 -1.353 1
1 1014 . 2 1 1 A 86 86 HIS HA H 86 4.766 4.760 0.006 1
1 1015 . 2 1 1 A 86 86 HIS CB C 86 33.069 31.079 1.990 1
1 1022 . 2 1 1 A 86 86 HIS C C 86 174.466 175.530 -1.064 1
1 1023 . 2 1 1 A 87 87 LYS N N 87 122.014 122.089 -0.075 1
1 1024 . 2 1 1 A 87 87 LYS H H 87 8.693 8.590 0.103 1
1 1025 . 2 1 1 A 87 87 LYS CA C 87 53.283 53.382 -0.099 1
1 1026 . 2 1 1 A 87 87 LYS HA H 87 4.792 4.664 0.128 1
1 1027 . 2 1 1 A 87 87 LYS CB C 87 32.803 32.514 0.289 1
1 1037 . 2 1 1 A 87 87 LYS C C 87 175.072 174.262 0.810 1
1 1038 . 2 1 1 A 88 88 PRO CA C 88 62.515 62.748 -0.233 1
1 1039 . 2 1 1 A 88 88 PRO HA H 88 4.796 4.711 0.085 1
1 1040 . 2 1 1 A 88 88 PRO CB C 88 32.687 32.286 0.401 1
1 1049 . 2 1 1 A 88 88 PRO C C 88 175.319 176.055 -0.736 1
1 1050 . 2 1 1 A 89 89 THR N N 89 107.501 112.355 -4.854 1
1 1051 . 2 1 1 A 89 89 THR H H 89 7.933 8.246 -0.313 1
1 1052 . 2 1 1 A 89 89 THR CA C 89 58.518 59.819 -1.301 1
1 1053 . 2 1 1 A 89 89 THR HA H 89 4.758 4.590 0.168 1
1 1054 . 2 1 1 A 89 89 THR CB C 89 70.861 71.257 -0.396 1
1 1060 . 2 1 1 A 89 89 THR C C 89 175.662 175.473 0.189 1
1 1061 . 2 1 1 A 90 90 TYR N N 90 120.845 124.281 -3.436 1
1 1062 . 2 1 1 A 90 90 TYR H H 90 8.751 8.762 -0.011 1
1 1063 . 2 1 1 A 90 90 TYR CA C 90 63.195 61.689 1.506 1
1 1064 . 2 1 1 A 90 90 TYR HA H 90 4.064 4.133 -0.069 1
1 1065 . 2 1 1 A 90 90 TYR CB C 90 37.372 38.101 -0.729 1
1 1076 . 2 1 1 A 90 90 TYR C C 90 178.063 178.069 -0.006 1
1 1077 . 2 1 1 A 91 91 GLU N N 91 118.210 119.824 -1.614 1
1 1078 . 2 1 1 A 91 91 GLU H H 91 8.857 8.351 0.506 1
1 1079 . 2 1 1 A 91 91 GLU CA C 91 60.312 59.654 0.658 1
1 1080 . 2 1 1 A 91 91 GLU HA H 91 4.114 4.047 0.067 1
1 1081 . 2 1 1 A 91 91 GLU CB C 91 29.276 29.492 -0.216 1
1 1087 . 2 1 1 A 91 91 GLU C C 91 178.970 179.134 -0.164 1
1 1088 . 2 1 1 A 92 92 ASN N N 92 117.220 118.265 -1.045 1
1 1089 . 2 1 1 A 92 92 ASN H H 92 7.894 8.046 -0.152 1
1 1090 . 2 1 1 A 92 92 ASN CA C 92 55.334 56.374 -1.040 1
1 1091 . 2 1 1 A 92 92 ASN HA H 92 4.696 4.537 0.159 1
1 1092 . 2 1 1 A 92 92 ASN CB C 92 37.704 38.083 -0.379 1
1 1098 . 2 1 1 A 92 92 ASN C C 92 178.155 177.865 0.290 1
1 1099 . 2 1 1 A 93 93 LEU N N 93 121.622 121.306 0.316 1
1 1100 . 2 1 1 A 93 93 LEU H H 93 8.038 8.098 -0.060 1
1 1101 . 2 1 1 A 93 93 LEU CA C 93 58.495 58.746 -0.251 1
1 1102 . 2 1 1 A 93 93 LEU HA H 93 4.092 3.990 0.102 1
1 1103 . 2 1 1 A 93 93 LEU CB C 93 41.383 42.019 -0.636 1
1 1116 . 2 1 1 A 93 93 LEU C C 93 177.808 178.550 -0.742 1
1 1117 . 2 1 1 A 94 94 GLN N N 94 120.352 118.279 2.073 1
1 1118 . 2 1 1 A 94 94 GLN H H 94 8.792 8.223 0.569 1
1 1119 . 2 1 1 A 94 94 GLN CA C 94 61.099 59.202 1.897 1
1 1120 . 2 1 1 A 94 94 GLN HA H 94 3.721 3.999 -0.278 1
1 1121 . 2 1 1 A 94 94 GLN CB C 94 27.560 28.456 -0.896 1
1 1130 . 2 1 1 A 94 94 GLN C C 94 178.042 178.352 -0.310 1
1 1131 . 2 1 1 A 95 95 LYS N N 95 117.824 118.820 -0.996 1
1 1132 . 2 1 1 A 95 95 LYS H H 95 7.803 7.648 0.155 1
1 1133 . 2 1 1 A 95 95 LYS CA C 95 60.222 59.381 0.841 1
1 1134 . 2 1 1 A 95 95 LYS HA H 95 4.012 4.039 -0.027 1
1 1135 . 2 1 1 A 95 95 LYS CB C 95 33.168 32.476 0.692 1
1 1147 . 2 1 1 A 95 95 LYS C C 95 179.868 179.159 0.709 1
1 1148 . 2 1 1 A 96 96 SER N N 96 118.301 114.353 3.948 1
1 1149 . 2 1 1 A 96 96 SER H H 96 8.251 8.443 -0.192 1
1 1150 . 2 1 1 A 96 96 SER CA C 96 63.668 61.843 1.825 1
1 1151 . 2 1 1 A 96 96 SER HA H 96 3.710 4.154 -0.444 1
1 1152 . 2 1 1 A 96 96 SER CB C 96 62.882 62.626 0.256 1
1 1155 . 2 1 1 A 96 96 SER C C 96 176.400 177.590 -1.190 1
1 1156 . 2 1 1 A 97 97 LEU N N 97 122.701 123.011 -0.310 1
1 1157 . 2 1 1 A 97 97 LEU H H 97 8.467 8.184 0.283 1
1 1158 . 2 1 1 A 97 97 LEU CA C 97 58.323 57.921 0.402 1
1 1159 . 2 1 1 A 97 97 LEU HA H 97 3.861 4.016 -0.155 1
1 1160 . 2 1 1 A 97 97 LEU CB C 97 42.995 41.354 1.641 1
1 1173 . 2 1 1 A 97 97 LEU C C 97 178.941 179.477 -0.536 1
1 1174 . 2 1 1 A 98 98 GLU N N 98 119.918 119.486 0.432 1
1 1175 . 2 1 1 A 98 98 GLU H H 98 8.410 8.530 -0.120 1
1 1176 . 2 1 1 A 98 98 GLU CA C 98 59.561 59.298 0.263 1
1 1177 . 2 1 1 A 98 98 GLU HA H 98 3.622 3.918 -0.296 1
1 1178 . 2 1 1 A 98 98 GLU CB C 98 29.142 29.284 -0.142 1
1 1184 . 2 1 1 A 98 98 GLU C C 98 179.137 178.812 0.325 1
1 1185 . 2 1 1 A 99 99 ALA N N 99 124.193 122.519 1.674 1
1 1186 . 2 1 1 A 99 99 ALA H H 99 8.197 7.980 0.217 1
1 1187 . 2 1 1 A 99 99 ALA CA C 99 55.016 55.131 -0.115 1
1 1188 . 2 1 1 A 99 99 ALA HA H 99 4.247 4.097 0.150 1
1 1189 . 2 1 1 A 99 99 ALA CB C 99 17.815 18.192 -0.377 1
1 1193 . 2 1 1 A 99 99 ALA C C 99 181.133 179.680 1.453 1
1 1194 . 2 1 1 A 100 100 MET N N 100 122.009 118.419 3.590 1
1 1195 . 2 1 1 A 100 100 MET H H 100 8.482 8.000 0.482 1
1 1196 . 2 1 1 A 100 100 MET CA C 100 59.826 58.207 1.619 1
1 1197 . 2 1 1 A 100 100 MET HA H 100 3.714 3.970 -0.256 1
1 1198 . 2 1 1 A 100 100 MET CB C 100 32.944 32.333 0.611 1
1 1208 . 2 1 1 A 100 100 MET C C 100 176.658 177.804 -1.146 1
1 1209 . 2 1 1 A 101 101 LYS N N 101 120.991 118.735 2.256 1
1 1210 . 2 1 1 A 101 101 LYS H H 101 8.721 7.775 0.946 1
1 1211 . 2 1 1 A 101 101 LYS CA C 101 60.563 58.803 1.760 1
1 1212 . 2 1 1 A 101 101 LYS HA H 101 3.614 3.979 -0.365 1
1 1213 . 2 1 1 A 101 101 LYS CB C 101 30.759 31.962 -1.203 1
1 1225 . 2 1 1 A 101 101 LYS C C 101 177.419 178.255 -0.836 1
1 1226 . 2 1 1 A 102 102 SER N N 102 111.833 114.592 -2.759 1
1 1227 . 2 1 1 A 102 102 SER H H 102 8.005 7.604 0.401 1
1 1228 . 2 1 1 A 102 102 SER CA C 102 61.993 61.396 0.597 1
1 1229 . 2 1 1 A 102 102 SER HA H 102 4.082 4.077 0.005 1
1 1230 . 2 1 1 A 102 102 SER CB C 102 62.863 63.112 -0.249 1
1 1233 . 2 1 1 A 102 102 SER C C 102 176.601 176.976 -0.375 1
1 1234 . 2 1 1 A 103 103 HIS N N 103 121.793 120.727 1.066 1
1 1235 . 2 1 1 A 103 103 HIS H H 103 7.605 7.902 -0.297 1
1 1236 . 2 1 1 A 103 103 HIS CA C 103 62.090 59.542 2.548 1
1 1237 . 2 1 1 A 103 103 HIS HA H 103 4.000 4.343 -0.343 1
1 1238 . 2 1 1 A 103 103 HIS CB C 103 30.652 29.946 0.706 1
1 1245 . 2 1 1 A 103 103 HIS C C 103 179.129 176.769 2.360 1
1 1246 . 2 1 1 A 104 104 CYS N N 104 119.421 116.797 2.624 1
1 1247 . 2 1 1 A 104 104 CYS H H 104 9.261 8.043 1.218 1
1 1248 . 2 1 1 A 104 104 CYS CA C 104 63.841 63.652 0.189 1
1 1249 . 2 1 1 A 104 104 CYS HA H 104 4.105 4.118 -0.013 1
1 1250 . 2 1 1 A 104 104 CYS CB C 104 27.916 27.006 0.910 1
1 1253 . 2 1 1 A 104 104 CYS C C 104 178.176 177.248 0.928 1
1 1254 . 2 1 1 A 105 105 LEU N N 105 117.129 120.598 -3.469 1
1 1255 . 2 1 1 A 105 105 LEU H H 105 8.331 7.912 0.419 1
1 1256 . 2 1 1 A 105 105 LEU CA C 105 57.262 58.112 -0.850 1
1 1257 . 2 1 1 A 105 105 LEU HA H 105 4.245 3.947 0.298 1
1 1258 . 2 1 1 A 105 105 LEU CB C 105 42.030 41.796 0.234 1
1 1271 . 2 1 1 A 105 105 LEU C C 105 180.635 178.927 1.708 1
1 1272 . 2 1 1 A 106 106 LYS N N 106 118.583 116.686 1.897 1
1 1273 . 2 1 1 A 106 106 LYS H H 106 7.638 7.879 -0.241 1
1 1274 . 2 1 1 A 106 106 LYS CA C 106 58.075 60.052 -1.977 1
1 1275 . 2 1 1 A 106 106 LYS HA H 106 4.140 3.872 0.268 1
1 1276 . 2 1 1 A 106 106 LYS CB C 106 33.191 32.203 0.988 1
1 1288 . 2 1 1 A 106 106 LYS C C 106 177.466 178.447 -0.981 1
1 1289 . 2 1 1 A 107 107 ASN N N 107 113.320 114.552 -1.232 1
1 1290 . 2 1 1 A 107 107 ASN H H 107 7.606 7.780 -0.174 1
1 1291 . 2 1 1 A 107 107 ASN CA C 107 53.813 54.719 -0.906 1
1 1292 . 2 1 1 A 107 107 ASN HA H 107 4.841 4.612 0.229 1
1 1293 . 2 1 1 A 107 107 ASN CB C 107 39.785 38.282 1.503 1
1 1299 . 2 1 1 A 107 107 ASN C C 107 174.443 175.470 -1.027 1
1 1300 . 2 1 1 A 108 108 GLY N N 108 109.386 107.977 1.409 1
1 1301 . 2 1 1 A 108 108 GLY H H 108 7.667 7.945 -0.278 1
1 1302 . 2 1 1 A 108 108 GLY CA C 108 47.252 45.150 2.102 1
1 1303 . 2 1 1 A 108 108 GLY HA2 H 108 4.023 4.087 -0.064 1
1 1304 . 2 1 1 A 108 108 GLY HA3 H 108 4.023 4.097 -0.074 1
1 1305 . 2 1 1 A 108 108 GLY C C 108 174.436 174.505 -0.069 1
1 1306 . 2 1 1 A 109 109 VAL N N 109 122.758 121.128 1.630 1
1 1307 . 2 1 1 A 109 109 VAL H H 109 8.480 8.267 0.213 1
1 1308 . 2 1 1 A 109 109 VAL CA C 109 63.788 61.855 1.933 1
1 1309 . 2 1 1 A 109 109 VAL HA H 109 4.094 4.317 -0.223 1
1 1310 . 2 1 1 A 109 109 VAL CB C 109 32.931 30.660 2.271 1
1 1320 . 2 1 1 A 109 109 VAL C C 109 176.089 175.826 0.263 1
1 1321 . 2 1 1 A 110 110 THR N N 110 115.431 123.092 -7.661 1
1 1322 . 2 1 1 A 110 110 THR H H 110 8.995 8.752 0.243 1
1 1323 . 2 1 1 A 110 110 THR CA C 110 62.045 64.165 -2.120 1
1 1324 . 2 1 1 A 110 110 THR HA H 110 4.515 4.449 0.066 1
1 1325 . 2 1 1 A 110 110 THR CB C 110 70.758 69.879 0.879 1
1 1331 . 2 1 1 A 110 110 THR C C 110 173.700 173.884 -0.184 1
1 1332 . 2 1 1 A 111 111 ASP N N 111 123.757 120.612 3.145 1
1 1333 . 2 1 1 A 111 111 ASP H H 111 8.123 7.863 0.260 1
1 1334 . 2 1 1 A 111 111 ASP CA C 111 54.747 53.964 0.783 1
1 1335 . 2 1 1 A 111 111 ASP HA H 111 5.527 5.095 0.432 1
1 1336 . 2 1 1 A 111 111 ASP CB C 111 43.928 41.667 2.261 1
1 1339 . 2 1 1 A 111 111 ASP C C 111 172.807 175.413 -2.606 1
1 1340 . 2 1 1 A 112 112 LEU N N 112 123.145 127.066 -3.921 1
1 1341 . 2 1 1 A 112 112 LEU H H 112 8.671 8.752 -0.081 1
1 1342 . 2 1 1 A 112 112 LEU CA C 112 52.953 53.756 -0.803 1
1 1343 . 2 1 1 A 112 112 LEU HA H 112 5.213 5.183 0.030 1
1 1344 . 2 1 1 A 112 112 LEU CB C 112 47.875 46.791 1.084 1
1 1357 . 2 1 1 A 112 112 LEU C C 112 176.803 174.015 2.788 1
1 1358 . 2 1 1 A 113 113 SER N N 113 122.973 121.046 1.927 1
1 1359 . 2 1 1 A 113 113 SER H H 113 9.473 8.512 0.961 1
1 1360 . 2 1 1 A 113 113 SER CA C 113 59.207 57.360 1.847 1
1 1361 . 2 1 1 A 113 113 SER HA H 113 6.070 5.598 0.472 1
1 1362 . 2 1 1 A 113 113 SER CB C 113 67.023 66.119 0.904 1
1 1365 . 2 1 1 A 113 113 SER C C 113 172.066 173.133 -1.067 1
1 1366 . 2 1 1 A 114 114 MET N N 114 118.476 121.763 -3.287 1
1 1367 . 2 1 1 A 114 114 MET H H 114 9.080 8.963 0.117 1
1 1368 . 2 1 1 A 114 114 MET CA C 114 54.007 53.758 0.249 1
1 1369 . 2 1 1 A 114 114 MET HA H 114 5.435 5.138 0.297 1
1 1370 . 2 1 1 A 114 114 MET CB C 114 34.867 35.771 -0.904 1
1 1380 . 2 1 1 A 114 114 MET C C 114 172.934 174.023 -1.089 1
1 1381 . 2 1 1 A 115 115 PRO CA C 115 62.262 62.280 -0.018 1
1 1382 . 2 1 1 A 115 115 PRO HA H 115 5.593 4.672 0.921 1
1 1383 . 2 1 1 A 115 115 PRO CB C 115 32.748 33.259 -0.511 1
1 1392 . 2 1 1 A 115 115 PRO C C 115 175.547 176.075 -0.528 1
1 1393 . 2 1 1 A 116 116 ARG N N 116 116.821 120.773 -3.952 1
1 1394 . 2 1 1 A 116 116 ARG H H 116 8.348 8.445 -0.097 1
1 1395 . 2 1 1 A 116 116 ARG CA C 116 55.785 56.117 -0.332 1
1 1396 . 2 1 1 A 116 116 ARG HA H 116 3.896 4.081 -0.185 1
1 1397 . 2 1 1 A 116 116 ARG CB C 116 27.344 30.341 -2.997 1
1 1406 . 2 1 1 A 116 116 ARG C C 116 176.796 175.914 0.882 1
1 1407 . 2 1 1 A 117 117 ILE N N 117 122.887 119.987 2.900 1
1 1408 . 2 1 1 A 117 117 ILE H H 117 7.989 8.497 -0.508 1
1 1409 . 2 1 1 A 117 117 ILE CA C 117 63.148 59.621 3.527 1
1 1410 . 2 1 1 A 117 117 ILE HA H 117 4.028 5.070 -1.042 1
1 1411 . 2 1 1 A 117 117 ILE CB C 117 40.010 40.079 -0.069 1
1 1424 . 2 1 1 A 117 117 ILE C C 117 174.324 175.274 -0.950 1
1 1425 . 2 1 1 A 118 118 GLY N N 118 107.320 111.864 -4.544 1
1 1426 . 2 1 1 A 118 118 GLY H H 118 8.662 8.403 0.259 1
1 1427 . 2 1 1 A 118 118 GLY CA C 118 45.752 45.521 0.231 1
1 1428 . 2 1 1 A 118 118 GLY HA2 H 118 3.693 4.119 -0.426 1
1 1429 . 2 1 1 A 118 118 GLY HA3 H 118 4.226 4.204 0.022 1
1 1430 . 2 1 1 A 118 118 GLY C C 118 172.861 174.666 -1.805 1
1 1431 . 2 1 1 A 119 119 CYS N N 119 115.336 118.838 -3.502 1
1 1432 . 2 1 1 A 119 119 CYS H H 119 7.445 7.884 -0.439 1
1 1433 . 2 1 1 A 119 119 CYS CA C 119 58.753 59.324 -0.571 1
1 1434 . 2 1 1 A 119 119 CYS HA H 119 4.831 4.660 0.171 1
1 1435 . 2 1 1 A 119 119 CYS CB C 119 28.840 28.796 0.044 1
1 1438 . 2 1 1 A 121 121 LEU CA C 121 57.692 57.476 0.216 1
1 1439 . 2 1 1 A 121 121 LEU HA H 121 4.152 4.090 0.062 1
1 1440 . 2 1 1 A 121 121 LEU CB C 121 41.644 42.238 -0.594 1
1 1453 . 2 1 1 A 123 123 ARG N N 123 107.909 122.876 -14.967 1
1 1454 . 2 1 1 A 123 123 ARG H H 123 7.536 8.720 -1.184 1
1 1455 . 2 1 1 A 123 123 ARG CA C 123 57.775 55.727 2.048 1
1 1456 . 2 1 1 A 123 123 ARG HA H 123 3.989 4.510 -0.521 1
1 1457 . 2 1 1 A 123 123 ARG CB C 123 28.219 30.262 -2.043 1
1 1466 . 2 1 1 A 123 123 ARG C C 123 176.088 176.405 -0.317 1
1 1467 . 2 1 1 A 124 124 LEU N N 124 118.876 121.456 -2.580 1
1 1468 . 2 1 1 A 124 124 LEU H H 124 8.401 7.490 0.911 1
1 1469 . 2 1 1 A 124 124 LEU CA C 124 54.573 54.160 0.413 1
1 1470 . 2 1 1 A 124 124 LEU HA H 124 4.533 4.491 0.042 1
1 1471 . 2 1 1 A 124 124 LEU CB C 124 39.785 42.588 -2.803 1
1 1484 . 2 1 1 A 124 124 LEU C C 124 175.551 175.873 -0.322 1
1 1485 . 2 1 1 A 125 125 GLN N N 125 116.713 118.017 -1.304 1
1 1486 . 2 1 1 A 125 125 GLN H H 125 7.779 8.843 -1.064 1
1 1487 . 2 1 1 A 125 125 GLN CA C 125 54.609 54.182 0.427 1
1 1488 . 2 1 1 A 125 125 GLN HA H 125 4.794 5.119 -0.325 1
1 1489 . 2 1 1 A 125 125 GLN CB C 125 30.327 31.349 -1.022 1
1 1498 . 2 1 1 A 125 125 GLN C C 125 177.722 176.001 1.721 1
1 1499 . 2 1 1 A 126 126 TRP N N 126 128.887 127.200 1.687 1
1 1500 . 2 1 1 A 126 126 TRP H H 126 9.755 9.153 0.602 1
1 1501 . 2 1 1 A 126 126 TRP CA C 126 59.962 61.268 -1.306 1
1 1502 . 2 1 1 A 126 126 TRP HA H 126 4.545 4.245 0.300 1
1 1503 . 2 1 1 A 126 126 TRP CB C 126 30.009 30.270 -0.261 1
1 1518 . 2 1 1 A 126 126 TRP C C 126 177.057 178.160 -1.103 1
1 1519 . 2 1 1 A 127 127 GLU N N 127 119.568 118.452 1.116 1
1 1520 . 2 1 1 A 127 127 GLU H H 127 9.946 8.441 1.505 1
1 1521 . 2 1 1 A 127 127 GLU CA C 127 60.623 59.885 0.738 1
1 1522 . 2 1 1 A 127 127 GLU HA H 127 3.780 3.811 -0.031 1
1 1523 . 2 1 1 A 127 127 GLU CB C 127 28.594 29.024 -0.430 1
1 1529 . 2 1 1 A 127 127 GLU C C 127 177.905 179.113 -1.208 1
1 1530 . 2 1 1 A 128 128 ASN N N 128 115.229 117.922 -2.693 1
1 1531 . 2 1 1 A 128 128 ASN H H 128 7.159 7.933 -0.774 1
1 1532 . 2 1 1 A 128 128 ASN CA C 128 55.370 55.911 -0.541 1
1 1533 . 2 1 1 A 128 128 ASN HA H 128 4.446 4.306 0.140 1
1 1534 . 2 1 1 A 128 128 ASN CB C 128 38.522 38.227 0.295 1
1 1540 . 2 1 1 A 128 128 ASN C C 128 177.374 177.695 -0.321 1
1 1541 . 2 1 1 A 129 129 VAL N N 129 122.487 120.068 2.419 1
1 1542 . 2 1 1 A 129 129 VAL H H 129 8.033 7.720 0.313 1
1 1543 . 2 1 1 A 129 129 VAL CA C 129 67.289 66.856 0.433 1
1 1544 . 2 1 1 A 129 129 VAL HA H 129 3.489 3.463 0.026 1
1 1545 . 2 1 1 A 129 129 VAL CB C 129 31.824 31.437 0.387 1
1 1555 . 2 1 1 A 129 129 VAL C C 129 177.209 177.424 -0.215 1
1 1556 . 2 1 1 A 130 130 SER N N 130 115.189 113.628 1.561 1
1 1557 . 2 1 1 A 130 130 SER H H 130 8.550 8.065 0.485 1
1 1558 . 2 1 1 A 130 130 SER CA C 130 61.477 60.802 0.675 1
1 1559 . 2 1 1 A 130 130 SER HA H 130 3.151 3.620 -0.469 1
1 1560 . 2 1 1 A 130 130 SER CB C 130 61.348 61.840 -0.492 1
1 1563 . 2 1 1 A 130 130 SER C C 130 175.971 176.727 -0.756 1
1 1564 . 2 1 1 A 131 131 ALA N N 131 123.596 123.977 -0.381 1
1 1565 . 2 1 1 A 131 131 ALA H H 131 6.551 7.891 -1.340 1
1 1566 . 2 1 1 A 131 131 ALA CA C 131 54.947 55.077 -0.130 1
1 1567 . 2 1 1 A 131 131 ALA HA H 131 4.079 3.981 0.098 1
1 1568 . 2 1 1 A 131 131 ALA CB C 131 18.023 17.645 0.378 1
1 1572 . 2 1 1 A 131 131 ALA C C 131 179.947 180.397 -0.450 1
1 1573 . 2 1 1 A 132 132 MET N N 132 119.410 116.648 2.762 1
1 1574 . 2 1 1 A 132 132 MET H H 132 7.442 8.245 -0.803 1
1 1575 . 2 1 1 A 132 132 MET CA C 132 58.917 58.192 0.725 1
1 1576 . 2 1 1 A 132 132 MET HA H 132 4.118 4.182 -0.064 1
1 1577 . 2 1 1 A 132 132 MET CB C 132 33.984 31.707 2.277 1
1 1587 . 2 1 1 A 132 132 MET C C 132 178.019 179.100 -1.081 1
1 1588 . 2 1 1 A 133 133 ILE N N 133 120.265 120.642 -0.377 1
1 1589 . 2 1 1 A 133 133 ILE H H 133 8.554 7.543 1.011 1
1 1590 . 2 1 1 A 133 133 ILE CA C 133 66.859 64.591 2.268 1
1 1591 . 2 1 1 A 133 133 ILE HA H 133 3.470 3.976 -0.506 1
1 1592 . 2 1 1 A 133 133 ILE CB C 133 38.240 36.626 1.614 1
1 1605 . 2 1 1 A 133 133 ILE C C 133 177.949 178.016 -0.067 1
1 1606 . 2 1 1 A 134 134 GLU N N 134 117.011 121.587 -4.576 1
1 1607 . 2 1 1 A 134 134 GLU H H 134 8.106 8.069 0.037 1
1 1608 . 2 1 1 A 134 134 GLU CA C 134 59.844 59.644 0.200 1
1 1609 . 2 1 1 A 134 134 GLU HA H 134 3.919 4.107 -0.188 1
1 1610 . 2 1 1 A 134 134 GLU CB C 134 29.024 29.535 -0.511 1
1 1616 . 2 1 1 A 134 134 GLU C C 134 178.982 179.247 -0.265 1
1 1617 . 2 1 1 A 135 135 GLU N N 135 118.619 118.968 -0.349 1
1 1618 . 2 1 1 A 135 135 GLU H H 135 7.848 8.215 -0.367 1
1 1619 . 2 1 1 A 135 135 GLU CA C 135 59.438 59.345 0.093 1
1 1620 . 2 1 1 A 135 135 GLU HA H 135 4.090 4.077 0.013 1
1 1621 . 2 1 1 A 135 135 GLU CB C 135 29.948 29.135 0.813 1
1 1627 . 2 1 1 A 135 135 GLU C C 135 179.547 179.019 0.528 1
1 1628 . 2 1 1 A 136 136 VAL N N 136 119.915 121.336 -1.421 1
1 1629 . 2 1 1 A 136 136 VAL H H 136 8.793 7.738 1.055 1
1 1630 . 2 1 1 A 136 136 VAL CA C 136 66.122 66.404 -0.282 1
1 1631 . 2 1 1 A 136 136 VAL HA H 136 3.578 3.511 0.067 1
1 1632 . 2 1 1 A 136 136 VAL CB C 136 31.990 31.795 0.195 1
1 1642 . 2 1 1 A 136 136 VAL C C 136 177.646 177.542 0.104 1
1 1643 . 2 1 1 A 137 137 PHE N N 137 111.913 117.461 -5.548 1
1 1644 . 2 1 1 A 137 137 PHE H H 137 8.009 7.915 0.094 1
1 1645 . 2 1 1 A 137 137 PHE CA C 137 59.545 59.715 -0.170 1
1 1646 . 2 1 1 A 137 137 PHE HA H 137 4.197 4.444 -0.247 1
1 1647 . 2 1 1 A 137 137 PHE CB C 137 38.105 38.279 -0.174 1
1 1660 . 2 1 1 A 138 138 GLU N N 138 123.997 119.235 4.762 1
1 1661 . 2 1 1 A 138 138 GLU H H 138 7.268 8.248 -0.980 1
1 1662 . 2 1 1 A 138 138 GLU CA C 138 59.222 58.764 0.458 1
1 1663 . 2 1 1 A 138 138 GLU HA H 138 4.161 4.157 0.004 1
1 1664 . 2 1 1 A 138 138 GLU CB C 138 29.644 29.051 0.593 1
1 1670 . 2 1 1 A 139 139 ALA N N 139 121.713 121.263 0.450 1
1 1671 . 2 1 1 A 139 139 ALA H H 139 8.830 7.808 1.022 1
1 1672 . 2 1 1 A 139 139 ALA CA C 139 52.894 50.928 1.966 1
1 1673 . 2 1 1 A 139 139 ALA HA H 139 4.334 4.443 -0.109 1
1 1674 . 2 1 1 A 139 139 ALA CB C 139 17.362 19.109 -1.747 1
1 1678 . 2 1 1 A 139 139 ALA C C 139 176.943 176.084 0.859 1
1 1679 . 2 1 1 A 140 140 THR N N 140 107.901 109.859 -1.958 1
1 1680 . 2 1 1 A 140 140 THR H H 140 7.809 7.794 0.015 1
1 1681 . 2 1 1 A 140 140 THR CA C 140 61.013 60.396 0.617 1
1 1682 . 2 1 1 A 140 140 THR HA H 140 4.164 4.838 -0.674 1
1 1683 . 2 1 1 A 140 140 THR CB C 140 72.698 71.492 1.206 1
1 1689 . 2 1 1 A 140 140 THR C C 140 174.222 172.587 1.635 1
1 1690 . 2 1 1 A 141 141 ASP N N 141 120.212 121.680 -1.468 1
1 1691 . 2 1 1 A 141 141 ASP H H 141 8.959 8.859 0.100 1
1 1692 . 2 1 1 A 141 141 ASP CA C 141 53.333 52.914 0.419 1
1 1693 . 2 1 1 A 141 141 ASP HA H 141 4.991 4.999 -0.008 1
1 1694 . 2 1 1 A 141 141 ASP CB C 141 40.660 41.622 -0.962 1
1 1697 . 2 1 1 A 141 141 ASP C C 141 175.403 175.115 0.288 1
1 1698 . 2 1 1 A 142 142 ILE N N 142 120.815 121.498 -0.683 1
1 1699 . 2 1 1 A 142 142 ILE H H 142 7.444 7.640 -0.196 1
1 1700 . 2 1 1 A 142 142 ILE CA C 142 62.338 60.357 1.981 1
1 1701 . 2 1 1 A 142 142 ILE HA H 142 4.131 4.602 -0.471 1
1 1702 . 2 1 1 A 142 142 ILE CB C 142 38.703 40.005 -1.302 1
1 1715 . 2 1 1 A 142 142 ILE C C 142 175.399 175.023 0.376 1
1 1716 . 2 1 1 A 143 143 LYS N N 143 129.106 127.260 1.846 1
1 1717 . 2 1 1 A 143 143 LYS H H 143 8.588 9.284 -0.696 1
1 1718 . 2 1 1 A 143 143 LYS CA C 143 55.725 55.851 -0.126 1
1 1719 . 2 1 1 A 143 143 LYS HA H 143 4.444 4.648 -0.204 1
1 1720 . 2 1 1 A 143 143 LYS CB C 143 33.768 33.499 0.269 1
1 1732 . 2 1 1 A 143 143 LYS C C 143 174.820 175.883 -1.063 1
1 1733 . 2 1 1 A 144 144 ILE N N 144 122.496 123.889 -1.393 1
1 1734 . 2 1 1 A 144 144 ILE H H 144 7.884 8.749 -0.865 1
1 1735 . 2 1 1 A 144 144 ILE CA C 144 59.861 59.754 0.107 1
1 1736 . 2 1 1 A 144 144 ILE HA H 144 4.937 5.053 -0.116 1
1 1737 . 2 1 1 A 144 144 ILE CB C 144 40.518 40.576 -0.058 1
1 1750 . 2 1 1 A 144 144 ILE C C 144 175.232 174.953 0.279 1
1 1751 . 2 1 1 A 145 145 THR N N 145 126.667 123.244 3.423 1
1 1752 . 2 1 1 A 145 145 THR H H 145 9.100 8.755 0.345 1
1 1753 . 2 1 1 A 145 145 THR CA C 145 61.374 61.752 -0.378 1
1 1754 . 2 1 1 A 145 145 THR HA H 145 4.992 5.139 -0.147 1
1 1755 . 2 1 1 A 145 145 THR CB C 145 68.907 71.618 -2.711 1
1 1761 . 2 1 1 A 145 145 THR C C 145 173.158 173.370 -0.212 1
1 1762 . 2 1 1 A 146 146 VAL N N 146 127.717 126.480 1.237 1
1 1763 . 2 1 1 A 146 146 VAL H H 146 8.818 9.073 -0.255 1
1 1764 . 2 1 1 A 146 146 VAL CA C 146 59.930 60.981 -1.051 1
1 1765 . 2 1 1 A 146 146 VAL HA H 146 5.053 5.172 -0.119 1
1 1766 . 2 1 1 A 146 146 VAL CB C 146 32.906 32.929 -0.023 1
1 1776 . 2 1 1 A 146 146 VAL C C 146 175.653 174.917 0.736 1
1 1777 . 2 1 1 A 147 147 TYR N N 147 129.304 126.839 2.465 1
1 1778 . 2 1 1 A 147 147 TYR H H 147 8.926 9.270 -0.344 1
1 1779 . 2 1 1 A 147 147 TYR CA C 147 57.290 56.150 1.140 1
1 1780 . 2 1 1 A 147 147 TYR HA H 147 5.283 5.326 -0.043 1
1 1781 . 2 1 1 A 147 147 TYR CB C 147 40.422 41.217 -0.795 1
1 1792 . 2 1 1 A 147 147 TYR C C 147 177.250 174.774 2.476 1
1 1793 . 2 1 1 A 148 148 THR N N 148 116.883 114.319 2.564 1
1 1794 . 2 1 1 A 148 148 THR H H 148 8.607 9.015 -0.408 1
1 1795 . 2 1 1 A 148 148 THR CA C 148 61.560 60.587 0.973 1
1 1796 . 2 1 1 A 148 148 THR HA H 148 4.431 5.210 -0.779 1
1 1797 . 2 1 1 A 148 148 THR CB C 148 70.966 70.766 0.200 1
1 1803 . 2 1 1 A 148 148 THR C C 148 172.797 173.753 -0.956 1
1 1 . 3 1 1 A 5 5 SER CA C 5 58.376 58.131 0.245 1
1 2 . 3 1 1 A 5 5 SER HA H 5 4.528 4.674 -0.146 1
1 3 . 3 1 1 A 5 5 SER CB C 5 63.813 63.131 0.682 1
1 5 . 3 1 1 A 5 5 SER C C 5 174.968 173.540 1.428 1
1 6 . 3 1 1 A 6 6 SER N N 6 117.996 122.429 -4.433 1
1 7 . 3 1 1 A 6 6 SER H H 6 8.503 8.819 -0.316 1
1 8 . 3 1 1 A 6 6 SER CA C 6 58.642 56.636 2.006 1
1 9 . 3 1 1 A 6 6 SER HA H 6 4.526 4.887 -0.361 1
1 10 . 3 1 1 A 6 6 SER CB C 6 63.855 65.273 -1.418 1
1 13 . 3 1 1 A 6 6 SER C C 6 175.129 172.536 2.593 1
1 14 . 3 1 1 A 7 7 GLY N N 7 110.904 109.742 1.162 1
1 15 . 3 1 1 A 7 7 GLY H H 7 8.470 8.406 0.064 1
1 16 . 3 1 1 A 7 7 GLY CA C 7 45.430 45.679 -0.249 1
1 17 . 3 1 1 A 7 7 GLY HA2 H 7 4.030 4.149 -0.119 1
1 18 . 3 1 1 A 7 7 GLY HA3 H 7 4.030 4.157 -0.127 1
1 19 . 3 1 1 A 7 7 GLY C C 7 174.606 172.564 2.042 1
1 20 . 3 1 1 A 8 8 GLY N N 8 108.942 112.670 -3.728 1
1 21 . 3 1 1 A 8 8 GLY H H 8 8.286 8.811 -0.525 1
1 22 . 3 1 1 A 8 8 GLY CA C 8 45.058 44.291 0.767 1
1 23 . 3 1 1 A 8 8 GLY HA2 H 8 4.027 4.045 -0.018 1
1 24 . 3 1 1 A 8 8 GLY HA3 H 8 4.199 4.052 0.147 1
1 25 . 3 1 1 A 8 8 GLY C C 8 173.943 173.671 0.272 1
1 26 . 3 1 1 A 9 9 SER N N 9 115.435 117.461 -2.026 1
1 27 . 3 1 1 A 9 9 SER H H 9 8.275 8.395 -0.120 1
1 28 . 3 1 1 A 9 9 SER CA C 9 57.847 59.040 -1.193 1
1 29 . 3 1 1 A 9 9 SER HA H 9 4.616 4.357 0.259 1
1 30 . 3 1 1 A 9 9 SER CB C 9 64.102 64.086 0.016 1
1 33 . 3 1 1 A 9 9 SER C C 9 174.962 175.706 -0.744 1
1 34 . 3 1 1 A 10 10 ARG N N 10 126.156 124.075 2.081 1
1 35 . 3 1 1 A 10 10 ARG H H 10 9.427 8.697 0.730 1
1 36 . 3 1 1 A 10 10 ARG CA C 10 56.662 59.157 -2.495 1
1 37 . 3 1 1 A 10 10 ARG HA H 10 4.332 4.005 0.327 1
1 38 . 3 1 1 A 10 10 ARG CB C 10 30.289 30.259 0.030 1
1 49 . 3 1 1 A 10 10 ARG C C 10 175.504 176.899 -1.395 1
1 50 . 3 1 1 A 11 11 ILE N N 11 119.127 120.084 -0.957 1
1 51 . 3 1 1 A 11 11 ILE H H 11 8.176 8.326 -0.150 1
1 52 . 3 1 1 A 11 11 ILE CA C 11 61.153 60.212 0.941 1
1 53 . 3 1 1 A 11 11 ILE HA H 11 4.553 4.375 0.178 1
1 54 . 3 1 1 A 11 11 ILE CB C 11 39.949 39.238 0.711 1
1 67 . 3 1 1 A 11 11 ILE C C 11 176.134 174.454 1.680 1
1 68 . 3 1 1 A 12 12 THR N N 12 124.682 123.836 0.846 1
1 69 . 3 1 1 A 12 12 THR H H 12 8.534 8.487 0.047 1
1 70 . 3 1 1 A 12 12 THR CA C 12 61.630 61.148 0.482 1
1 71 . 3 1 1 A 12 12 THR HA H 12 4.359 4.657 -0.298 1
1 72 . 3 1 1 A 12 12 THR CB C 12 70.705 71.304 -0.599 1
1 78 . 3 1 1 A 12 12 THR C C 12 171.804 173.152 -1.348 1
1 79 . 3 1 1 A 13 13 TYR N N 13 124.043 126.148 -2.105 1
1 80 . 3 1 1 A 13 13 TYR H H 13 8.691 8.704 -0.013 1
1 81 . 3 1 1 A 13 13 TYR CA C 13 57.846 57.103 0.743 1
1 82 . 3 1 1 A 13 13 TYR HA H 13 5.099 5.632 -0.533 1
1 83 . 3 1 1 A 13 13 TYR CB C 13 39.895 40.063 -0.168 1
1 94 . 3 1 1 A 13 13 TYR C C 13 175.924 175.027 0.897 1
1 95 . 3 1 1 A 14 14 VAL N N 14 124.012 122.869 1.143 1
1 96 . 3 1 1 A 14 14 VAL H H 14 8.633 8.810 -0.177 1
1 97 . 3 1 1 A 14 14 VAL CA C 14 60.958 60.112 0.846 1
1 98 . 3 1 1 A 14 14 VAL HA H 14 4.015 4.848 -0.833 1
1 99 . 3 1 1 A 14 14 VAL CB C 14 35.416 34.874 0.542 1
1 109 . 3 1 1 A 14 14 VAL C C 14 173.974 173.735 0.239 1
1 110 . 3 1 1 A 15 15 LYS N N 15 127.960 125.857 2.103 1
1 111 . 3 1 1 A 15 15 LYS H H 15 8.318 8.787 -0.469 1
1 112 . 3 1 1 A 15 15 LYS CA C 15 54.152 54.893 -0.741 1
1 113 . 3 1 1 A 15 15 LYS HA H 15 5.126 5.255 -0.129 1
1 114 . 3 1 1 A 15 15 LYS CB C 15 32.086 34.781 -2.695 1
1 126 . 3 1 1 A 15 15 LYS C C 15 176.050 175.231 0.819 1
1 127 . 3 1 1 A 16 16 GLY N N 16 114.545 112.375 2.170 1
1 128 . 3 1 1 A 16 16 GLY H H 16 8.508 8.277 0.231 1
1 129 . 3 1 1 A 16 16 GLY CA C 16 45.006 43.849 1.157 1
1 130 . 3 1 1 A 16 16 GLY HA2 H 16 4.028 4.111 -0.083 1
1 131 . 3 1 1 A 16 16 GLY HA3 H 16 4.197 4.140 0.057 1
1 132 . 3 1 1 A 16 16 GLY C C 16 170.957 173.216 -2.259 1
1 133 . 3 1 1 A 17 17 ASP N N 17 119.423 121.343 -1.920 1
1 134 . 3 1 1 A 17 17 ASP H H 17 8.271 8.654 -0.383 1
1 135 . 3 1 1 A 17 17 ASP CA C 17 53.164 55.042 -1.878 1
1 136 . 3 1 1 A 17 17 ASP HA H 17 4.407 4.375 0.032 1
1 137 . 3 1 1 A 17 17 ASP CB C 17 41.912 41.614 0.298 1
1 140 . 3 1 1 A 17 17 ASP C C 17 176.089 176.063 0.026 1
1 141 . 3 1 1 A 18 18 LEU N N 18 130.056 124.043 6.013 1
1 142 . 3 1 1 A 18 18 LEU H H 18 8.304 8.448 -0.144 1
1 143 . 3 1 1 A 18 18 LEU CA C 18 57.156 54.839 2.317 1
1 144 . 3 1 1 A 18 18 LEU HA H 18 2.425 3.536 -1.111 1
1 145 . 3 1 1 A 18 18 LEU CB C 18 42.959 44.065 -1.106 1
1 158 . 3 1 1 A 18 18 LEU C C 18 175.737 177.697 -1.960 1
1 159 . 3 1 1 A 19 19 PHE N N 19 109.678 116.869 -7.191 1
1 160 . 3 1 1 A 19 19 PHE H H 19 7.461 7.316 0.145 1
1 161 . 3 1 1 A 19 19 PHE CA C 19 59.844 58.820 1.024 1
1 162 . 3 1 1 A 19 19 PHE HA H 19 3.920 4.470 -0.550 1
1 163 . 3 1 1 A 19 19 PHE CB C 19 36.735 40.533 -3.798 1
1 176 . 3 1 1 A 19 19 PHE C C 19 175.833 177.058 -1.225 1
1 177 . 3 1 1 A 20 20 ALA N N 20 123.506 121.954 1.552 1
1 178 . 3 1 1 A 20 20 ALA H H 20 7.752 8.070 -0.318 1
1 179 . 3 1 1 A 20 20 ALA CA C 20 51.160 54.069 -2.909 1
1 180 . 3 1 1 A 20 20 ALA HA H 20 4.518 4.163 0.355 1
1 181 . 3 1 1 A 20 20 ALA CB C 20 18.395 18.701 -0.306 1
1 185 . 3 1 1 A 20 20 ALA C C 20 176.772 179.660 -2.888 1
1 186 . 3 1 1 A 21 21 CYS N N 21 118.823 115.553 3.270 1
1 187 . 3 1 1 A 21 21 CYS H H 21 7.225 7.867 -0.642 1
1 188 . 3 1 1 A 21 21 CYS CA C 21 56.813 63.533 -6.720 1
1 189 . 3 1 1 A 21 21 CYS HA H 21 4.580 4.231 0.349 1
1 190 . 3 1 1 A 21 21 CYS CB C 21 25.916 27.467 -1.551 1
1 193 . 3 1 1 A 21 21 CYS C C 21 170.919 175.256 -4.337 1
1 194 . 3 1 1 A 22 22 PRO CA C 22 64.000 62.883 1.117 1
1 195 . 3 1 1 A 22 22 PRO HA H 22 4.373 4.551 -0.178 1
1 196 . 3 1 1 A 22 22 PRO CB C 22 31.802 32.573 -0.771 1
1 205 . 3 1 1 A 22 22 PRO C C 22 178.609 176.197 2.412 1
1 206 . 3 1 1 A 23 23 LYS N N 23 122.870 121.809 1.061 1
1 207 . 3 1 1 A 23 23 LYS H H 23 8.785 8.800 -0.015 1
1 208 . 3 1 1 A 23 23 LYS CA C 23 58.671 56.798 1.873 1
1 209 . 3 1 1 A 23 23 LYS HA H 23 4.103 4.489 -0.386 1
1 210 . 3 1 1 A 23 23 LYS CB C 23 32.078 34.498 -2.420 1
1 222 . 3 1 1 A 23 23 LYS C C 23 175.722 177.624 -1.902 1
1 223 . 3 1 1 A 24 24 THR N N 24 102.744 105.848 -3.104 1
1 224 . 3 1 1 A 24 24 THR H H 24 7.097 7.624 -0.527 1
1 225 . 3 1 1 A 24 24 THR CA C 24 61.064 61.685 -0.621 1
1 226 . 3 1 1 A 24 24 THR HA H 24 4.166 4.574 -0.408 1
1 227 . 3 1 1 A 24 24 THR CB C 24 68.805 70.656 -1.851 1
1 233 . 3 1 1 A 24 24 THR C C 24 176.216 174.667 1.549 1
1 234 . 3 1 1 A 25 25 ASP N N 25 125.303 124.399 0.904 1
1 235 . 3 1 1 A 25 25 ASP H H 25 7.768 7.693 0.075 1
1 236 . 3 1 1 A 25 25 ASP CA C 25 55.246 55.223 0.023 1
1 237 . 3 1 1 A 25 25 ASP HA H 25 4.536 4.538 -0.002 1
1 238 . 3 1 1 A 25 25 ASP CB C 25 40.321 41.242 -0.921 1
1 241 . 3 1 1 A 25 25 ASP C C 25 177.718 175.685 2.033 1
1 242 . 3 1 1 A 26 26 SER N N 26 118.303 118.359 -0.056 1
1 243 . 3 1 1 A 26 26 SER H H 26 8.472 8.652 -0.180 1
1 244 . 3 1 1 A 26 26 SER CA C 26 61.547 58.154 3.393 1
1 245 . 3 1 1 A 26 26 SER HA H 26 5.138 4.735 0.403 1
1 246 . 3 1 1 A 26 26 SER CB C 26 65.326 65.088 0.238 1
1 249 . 3 1 1 A 26 26 SER C C 26 172.446 173.557 -1.111 1
1 250 . 3 1 1 A 27 27 LEU N N 27 121.957 122.001 -0.044 1
1 251 . 3 1 1 A 27 27 LEU H H 27 8.553 8.170 0.383 1
1 252 . 3 1 1 A 27 27 LEU CA C 27 53.919 53.475 0.444 1
1 253 . 3 1 1 A 27 27 LEU HA H 27 6.004 5.765 0.239 1
1 254 . 3 1 1 A 27 27 LEU CB C 27 48.728 45.781 2.947 1
1 267 . 3 1 1 A 27 27 LEU C C 27 176.071 175.851 0.220 1
1 268 . 3 1 1 A 28 28 ALA N N 28 119.120 122.193 -3.073 1
1 269 . 3 1 1 A 28 28 ALA H H 28 8.083 8.555 -0.472 1
1 270 . 3 1 1 A 28 28 ALA CA C 28 50.738 51.483 -0.745 1
1 271 . 3 1 1 A 28 28 ALA HA H 28 5.833 5.357 0.476 1
1 272 . 3 1 1 A 28 28 ALA CB C 28 24.493 22.840 1.653 1
1 276 . 3 1 1 A 28 28 ALA C C 28 174.396 175.317 -0.921 1
1 277 . 3 1 1 A 29 29 HIS N N 29 111.296 120.641 -9.345 1
1 278 . 3 1 1 A 29 29 HIS H H 29 8.042 8.232 -0.190 1
1 279 . 3 1 1 A 29 29 HIS CA C 29 55.617 55.660 -0.043 1
1 280 . 3 1 1 A 29 29 HIS HA H 29 4.552 4.749 -0.197 1
1 281 . 3 1 1 A 29 29 HIS CB C 29 31.644 32.091 -0.447 1
1 288 . 3 1 1 A 29 29 HIS C C 29 172.453 173.044 -0.591 1
1 289 . 3 1 1 A 30 30 CYS N N 30 115.842 119.834 -3.992 1
1 290 . 3 1 1 A 30 30 CYS H H 30 8.182 7.869 0.313 1
1 291 . 3 1 1 A 30 30 CYS CA C 30 57.610 56.703 0.907 1
1 292 . 3 1 1 A 30 30 CYS HA H 30 5.489 5.728 -0.239 1
1 293 . 3 1 1 A 30 30 CYS CB C 30 30.518 30.274 0.244 1
1 296 . 3 1 1 A 30 30 CYS C C 30 175.085 173.674 1.411 1
1 297 . 3 1 1 A 31 31 ILE N N 31 117.447 120.802 -3.355 1
1 298 . 3 1 1 A 31 31 ILE H H 31 9.209 9.224 -0.015 1
1 299 . 3 1 1 A 31 31 ILE CA C 31 60.057 58.655 1.402 1
1 300 . 3 1 1 A 31 31 ILE HA H 31 4.816 5.027 -0.211 1
1 301 . 3 1 1 A 31 31 ILE CB C 31 43.206 42.425 0.781 1
1 314 . 3 1 1 A 31 31 ILE C C 31 173.249 174.495 -1.246 1
1 315 . 3 1 1 A 32 32 SER N N 32 111.596 119.052 -7.456 1
1 316 . 3 1 1 A 32 32 SER H H 32 7.858 8.818 -0.960 1
1 317 . 3 1 1 A 32 32 SER CA C 32 55.599 57.436 -1.837 1
1 318 . 3 1 1 A 32 32 SER HA H 32 5.139 4.823 0.316 1
1 319 . 3 1 1 A 32 32 SER CB C 32 66.377 64.994 1.383 1
1 322 . 3 1 1 A 32 32 SER C C 32 176.120 175.717 0.403 1
1 323 . 3 1 1 A 33 33 GLU N N 33 118.525 124.219 -5.694 1
1 324 . 3 1 1 A 33 33 GLU H H 33 8.189 8.993 -0.804 1
1 325 . 3 1 1 A 33 33 GLU CA C 33 59.273 59.049 0.224 1
1 326 . 3 1 1 A 33 33 GLU HA H 33 3.759 4.090 -0.331 1
1 327 . 3 1 1 A 33 33 GLU CB C 33 30.553 29.344 1.209 1
1 333 . 3 1 1 A 33 33 GLU C C 33 177.446 177.057 0.389 1
1 334 . 3 1 1 A 34 34 ASP N N 34 113.498 116.954 -3.456 1
1 335 . 3 1 1 A 34 34 ASP H H 34 7.480 7.876 -0.396 1
1 336 . 3 1 1 A 34 34 ASP CA C 34 54.511 53.898 0.613 1
1 337 . 3 1 1 A 34 34 ASP HA H 34 4.342 4.778 -0.436 1
1 338 . 3 1 1 A 34 34 ASP CB C 34 40.374 40.722 -0.348 1
1 341 . 3 1 1 A 34 34 ASP C C 34 175.854 175.578 0.276 1
1 342 . 3 1 1 A 35 35 CYS N N 35 111.837 116.909 -5.072 1
1 343 . 3 1 1 A 35 35 CYS H H 35 8.327 7.959 0.368 1
1 344 . 3 1 1 A 35 35 CYS CA C 35 61.093 59.926 1.167 1
1 345 . 3 1 1 A 35 35 CYS HA H 35 3.772 4.170 -0.398 1
1 346 . 3 1 1 A 35 35 CYS CB C 35 25.679 25.535 0.144 1
1 349 . 3 1 1 A 35 35 CYS C C 35 173.370 173.991 -0.621 1
1 350 . 3 1 1 A 36 36 ARG N N 36 117.440 121.018 -3.578 1
1 351 . 3 1 1 A 36 36 ARG H H 36 7.473 8.181 -0.708 1
1 352 . 3 1 1 A 36 36 ARG CA C 36 57.988 56.096 1.892 1
1 353 . 3 1 1 A 36 36 ARG HA H 36 3.981 4.358 -0.377 1
1 354 . 3 1 1 A 36 36 ARG CB C 36 30.430 30.684 -0.254 1
1 363 . 3 1 1 A 36 36 ARG C C 36 177.233 175.587 1.646 1
1 364 . 3 1 1 A 37 37 MET CA C 37 56.118 54.769 1.349 1
1 365 . 3 1 1 A 37 37 MET HA H 37 4.036 5.152 -1.116 1
1 373 . 3 1 1 A 38 38 GLY H H 38 8.192 8.604 -0.412 1
1 374 . 3 1 1 A 38 38 GLY CA C 38 45.670 45.521 0.149 1
1 375 . 3 1 1 A 38 38 GLY HA2 H 38 4.220 4.139 0.081 1
1 376 . 3 1 1 A 38 38 GLY HA3 H 38 3.595 4.141 -0.546 1
1 377 . 3 1 1 A 38 38 GLY C C 38 173.799 173.442 0.357 1
1 378 . 3 1 1 A 39 39 ALA N N 39 122.002 120.608 1.394 1
1 379 . 3 1 1 A 39 39 ALA H H 39 7.697 7.883 -0.186 1
1 380 . 3 1 1 A 39 39 ALA CA C 39 51.019 51.587 -0.568 1
1 381 . 3 1 1 A 39 39 ALA HA H 39 4.678 4.698 -0.020 1
1 382 . 3 1 1 A 39 39 ALA CB C 39 22.608 22.284 0.324 1
1 386 . 3 1 1 A 39 39 ALA C C 39 176.769 177.489 -0.720 1
1 387 . 3 1 1 A 40 40 GLY N N 40 107.149 113.594 -6.445 1
1 388 . 3 1 1 A 40 40 GLY H H 40 8.731 9.006 -0.275 1
1 389 . 3 1 1 A 40 40 GLY CA C 40 45.768 46.872 -1.104 1
1 390 . 3 1 1 A 40 40 GLY HA2 H 40 3.957 3.911 0.046 1
1 391 . 3 1 1 A 40 40 GLY HA3 H 40 4.220 3.921 0.299 1
1 392 . 3 1 1 A 40 40 GLY C C 40 176.747 175.243 1.504 1
1 393 . 3 1 1 A 41 41 ILE CA C 41 63.397 63.147 0.250 1
1 394 . 3 1 1 A 41 41 ILE HA H 41 4.312 4.126 0.186 1
1 395 . 3 1 1 A 41 41 ILE CB C 41 38.794 38.068 0.726 1
1 408 . 3 1 1 A 41 41 ILE C C 41 177.249 177.691 -0.442 1
1 409 . 3 1 1 A 42 42 ALA N N 42 124.835 123.940 0.895 1
1 410 . 3 1 1 A 42 42 ALA H H 42 8.629 8.448 0.181 1
1 411 . 3 1 1 A 42 42 ALA CA C 42 55.599 55.539 0.060 1
1 412 . 3 1 1 A 42 42 ALA HA H 42 4.377 4.041 0.336 1
1 413 . 3 1 1 A 42 42 ALA CB C 42 18.155 18.557 -0.402 1
1 417 . 3 1 1 A 42 42 ALA C C 42 179.079 180.062 -0.983 1
1 418 . 3 1 1 A 43 43 VAL N N 43 116.015 118.497 -2.482 1
1 419 . 3 1 1 A 43 43 VAL H H 43 7.363 8.142 -0.779 1
1 420 . 3 1 1 A 43 43 VAL CA C 43 65.623 66.874 -1.251 1
1 421 . 3 1 1 A 43 43 VAL HA H 43 3.822 3.610 0.212 1
1 422 . 3 1 1 A 43 43 VAL CB C 43 32.408 31.681 0.727 1
1 432 . 3 1 1 A 43 43 VAL C C 43 178.285 178.369 -0.084 1
1 433 . 3 1 1 A 44 44 LEU N N 44 119.736 119.211 0.525 1
1 434 . 3 1 1 A 44 44 LEU H H 44 7.357 8.037 -0.680 1
1 435 . 3 1 1 A 44 44 LEU CA C 44 57.460 57.880 -0.420 1
1 436 . 3 1 1 A 44 44 LEU HA H 44 3.968 3.923 0.045 1
1 437 . 3 1 1 A 44 44 LEU CB C 44 41.234 41.572 -0.338 1
1 450 . 3 1 1 A 44 44 LEU C C 44 179.972 178.721 1.251 1
1 451 . 3 1 1 A 45 45 PHE N N 45 118.434 117.644 0.790 1
1 452 . 3 1 1 A 45 45 PHE H H 45 7.733 8.138 -0.405 1
1 453 . 3 1 1 A 45 45 PHE CA C 45 63.151 62.027 1.124 1
1 454 . 3 1 1 A 45 45 PHE HA H 45 4.009 4.389 -0.380 1
1 455 . 3 1 1 A 45 45 PHE CB C 45 39.883 38.222 1.661 1
1 468 . 3 1 1 A 45 45 PHE C C 45 180.448 177.502 2.946 1
1 469 . 3 1 1 A 46 46 LYS N N 46 124.749 122.051 2.698 1
1 470 . 3 1 1 A 46 46 LYS H H 46 8.819 8.217 0.602 1
1 471 . 3 1 1 A 46 46 LYS CA C 46 60.958 58.140 2.818 1
1 472 . 3 1 1 A 46 46 LYS HA H 46 4.160 3.870 0.290 1
1 473 . 3 1 1 A 46 46 LYS CB C 46 31.930 32.441 -0.511 1
1 485 . 3 1 1 A 46 46 LYS C C 46 179.139 177.840 1.299 1
1 486 . 3 1 1 A 47 47 LYS N N 47 119.317 118.070 1.247 1
1 487 . 3 1 1 A 47 47 LYS H H 47 8.154 7.831 0.323 1
1 488 . 3 1 1 A 47 47 LYS CA C 47 59.331 58.491 0.840 1
1 489 . 3 1 1 A 47 47 LYS HA H 47 3.939 4.111 -0.172 1
1 490 . 3 1 1 A 47 47 LYS CB C 47 33.065 32.924 0.141 1
1 502 . 3 1 1 A 47 47 LYS C C 47 178.108 179.013 -0.905 1
1 503 . 3 1 1 A 48 48 LYS N N 48 116.005 119.848 -3.843 1
1 504 . 3 1 1 A 48 48 LYS H H 48 7.976 8.107 -0.131 1
1 505 . 3 1 1 A 48 48 LYS CA C 48 58.650 58.812 -0.162 1
1 506 . 3 1 1 A 48 48 LYS HA H 48 3.684 3.928 -0.244 1
1 507 . 3 1 1 A 48 48 LYS CB C 48 32.372 32.581 -0.209 1
1 519 . 3 1 1 A 48 48 LYS C C 48 178.213 177.722 0.491 1
1 520 . 3 1 1 A 49 49 PHE N N 49 112.629 112.987 -0.358 1
1 521 . 3 1 1 A 49 49 PHE H H 49 7.658 7.693 -0.035 1
1 522 . 3 1 1 A 49 49 PHE CA C 49 56.958 57.591 -0.633 1
1 523 . 3 1 1 A 49 49 PHE HA H 49 5.028 4.725 0.303 1
1 524 . 3 1 1 A 49 49 PHE CB C 49 40.496 41.455 -0.959 1
1 537 . 3 1 1 A 49 49 PHE C C 49 176.188 176.520 -0.332 1
1 538 . 3 1 1 A 50 50 GLY N N 50 108.499 108.806 -0.307 1
1 539 . 3 1 1 A 50 50 GLY H H 50 7.821 6.753 1.068 1
1 540 . 3 1 1 A 50 50 GLY CA C 50 46.579 46.402 0.177 1
1 541 . 3 1 1 A 50 50 GLY HA2 H 50 3.953 3.251 0.702 1
1 542 . 3 1 1 A 50 50 GLY HA3 H 50 3.953 3.612 0.341 1
1 543 . 3 1 1 A 50 50 GLY C C 50 174.288 175.568 -1.280 1
1 544 . 3 1 1 A 51 51 GLY N N 51 108.968 110.087 -1.119 1
1 545 . 3 1 1 A 51 51 GLY H H 51 8.600 7.967 0.633 1
1 546 . 3 1 1 A 51 51 GLY CA C 51 46.597 45.639 0.958 1
1 547 . 3 1 1 A 51 51 GLY HA2 H 51 3.943 4.289 -0.346 1
1 548 . 3 1 1 A 51 51 GLY HA3 H 51 4.047 4.509 -0.462 1
1 549 . 3 1 1 A 51 51 GLY C C 51 174.522 175.257 -0.735 1
1 550 . 3 1 1 A 52 52 VAL N N 52 118.929 119.017 -0.088 1
1 551 . 3 1 1 A 52 52 VAL H H 52 7.980 7.991 -0.011 1
1 552 . 3 1 1 A 52 52 VAL CA C 52 68.080 65.728 2.352 1
1 553 . 3 1 1 A 52 52 VAL HA H 52 3.334 3.714 -0.380 1
1 554 . 3 1 1 A 52 52 VAL CB C 52 31.150 31.655 -0.505 1
1 564 . 3 1 1 A 52 52 VAL C C 52 177.566 177.507 0.059 1
1 565 . 3 1 1 A 53 53 GLN N N 53 116.880 121.412 -4.532 1
1 566 . 3 1 1 A 53 53 GLN H H 53 8.513 7.989 0.524 1
1 567 . 3 1 1 A 53 53 GLN CA C 53 58.730 58.918 -0.188 1
1 568 . 3 1 1 A 53 53 GLN HA H 53 3.946 3.951 -0.005 1
1 569 . 3 1 1 A 53 53 GLN CB C 53 28.098 28.658 -0.560 1
1 578 . 3 1 1 A 53 53 GLN C C 53 177.916 178.313 -0.397 1
1 579 . 3 1 1 A 54 54 GLU N N 54 119.584 119.755 -0.171 1
1 580 . 3 1 1 A 54 54 GLU H H 54 7.525 8.216 -0.691 1
1 581 . 3 1 1 A 54 54 GLU CA C 54 59.754 59.318 0.436 1
1 582 . 3 1 1 A 54 54 GLU HA H 54 3.980 4.114 -0.134 1
1 583 . 3 1 1 A 54 54 GLU CB C 54 29.509 29.188 0.321 1
1 589 . 3 1 1 A 54 54 GLU C C 54 180.168 179.122 1.046 1
1 590 . 3 1 1 A 55 55 LEU N N 55 121.130 120.504 0.626 1
1 591 . 3 1 1 A 55 55 LEU H H 55 8.437 8.308 0.129 1
1 592 . 3 1 1 A 55 55 LEU CA C 55 58.005 57.424 0.581 1
1 593 . 3 1 1 A 55 55 LEU HA H 55 3.870 4.043 -0.173 1
1 594 . 3 1 1 A 55 55 LEU CB C 55 42.588 41.994 0.594 1
1 607 . 3 1 1 A 55 55 LEU C C 55 180.835 179.363 1.472 1
1 608 . 3 1 1 A 56 56 LEU N N 56 123.508 118.585 4.923 1
1 609 . 3 1 1 A 56 56 LEU H H 56 8.664 8.376 0.288 1
1 610 . 3 1 1 A 56 56 LEU CA C 56 58.397 57.496 0.901 1
1 611 . 3 1 1 A 56 56 LEU HA H 56 3.972 3.943 0.029 1
1 612 . 3 1 1 A 56 56 LEU CB C 56 42.087 41.322 0.765 1
1 625 . 3 1 1 A 56 56 LEU C C 56 181.257 178.784 2.473 1
1 626 . 3 1 1 A 57 57 ASN N N 57 116.946 118.473 -1.527 1
1 627 . 3 1 1 A 57 57 ASN H H 57 8.334 7.852 0.482 1
1 628 . 3 1 1 A 57 57 ASN CA C 57 54.627 56.334 -1.707 1
1 629 . 3 1 1 A 57 57 ASN HA H 57 4.566 4.474 0.092 1
1 630 . 3 1 1 A 57 57 ASN CB C 57 38.170 38.046 0.124 1
1 636 . 3 1 1 A 57 57 ASN C C 57 176.756 177.007 -0.251 1
1 637 . 3 1 1 A 58 58 GLN N N 58 118.214 116.687 1.527 1
1 638 . 3 1 1 A 58 58 GLN H H 58 7.670 7.954 -0.284 1
1 639 . 3 1 1 A 58 58 GLN CA C 58 58.022 55.866 2.156 1
1 640 . 3 1 1 A 58 58 GLN HA H 58 4.184 4.338 -0.154 1
1 641 . 3 1 1 A 58 58 GLN CB C 58 28.460 29.111 -0.651 1
1 650 . 3 1 1 A 58 58 GLN C C 58 175.792 175.473 0.319 1
1 651 . 3 1 1 A 59 59 GLN N N 59 114.113 116.503 -2.390 1
1 652 . 3 1 1 A 59 59 GLN H H 59 7.825 8.270 -0.445 1
1 653 . 3 1 1 A 59 59 GLN CA C 59 56.584 56.868 -0.284 1
1 654 . 3 1 1 A 59 59 GLN HA H 59 4.015 3.826 0.189 1
1 655 . 3 1 1 A 59 59 GLN CB C 59 26.829 26.314 0.515 1
1 664 . 3 1 1 A 59 59 GLN C C 59 175.049 175.080 -0.031 1
1 665 . 3 1 1 A 60 60 LYS N N 60 118.472 118.914 -0.442 1
1 666 . 3 1 1 A 60 60 LYS H H 60 9.134 8.219 0.915 1
1 667 . 3 1 1 A 60 60 LYS CA C 60 54.005 56.542 -2.537 1
1 668 . 3 1 1 A 60 60 LYS HA H 60 4.458 4.323 0.135 1
1 669 . 3 1 1 A 60 60 LYS CB C 60 32.573 33.638 -1.065 1
1 681 . 3 1 1 A 60 60 LYS C C 60 176.936 175.695 1.241 1
1 682 . 3 1 1 A 61 61 LYS N N 61 121.877 120.621 1.256 1
1 683 . 3 1 1 A 61 61 LYS H H 61 9.069 8.761 0.308 1
1 684 . 3 1 1 A 61 61 LYS CA C 61 53.421 54.258 -0.837 1
1 685 . 3 1 1 A 61 61 LYS HA H 61 4.517 5.209 -0.692 1
1 686 . 3 1 1 A 61 61 LYS CB C 61 35.816 36.448 -0.632 1
1 698 . 3 1 1 A 61 61 LYS C C 61 175.049 176.126 -1.077 1
1 699 . 3 1 1 A 62 62 SER N N 62 114.153 115.755 -1.602 1
1 700 . 3 1 1 A 62 62 SER H H 62 8.524 9.055 -0.531 1
1 701 . 3 1 1 A 62 62 SER CA C 62 60.959 59.573 1.386 1
1 702 . 3 1 1 A 62 62 SER HA H 62 3.954 4.359 -0.405 1
1 703 . 3 1 1 A 62 62 SER CB C 62 64.374 62.806 1.568 1
1 706 . 3 1 1 A 62 62 SER C C 62 175.660 174.843 0.817 1
1 707 . 3 1 1 A 63 63 GLY N N 63 111.615 113.362 -1.747 1
1 708 . 3 1 1 A 63 63 GLY H H 63 9.308 8.476 0.832 1
1 709 . 3 1 1 A 63 63 GLY CA C 63 44.971 45.216 -0.245 1
1 710 . 3 1 1 A 63 63 GLY HA2 H 63 4.188 4.010 0.178 1
1 711 . 3 1 1 A 63 63 GLY HA3 H 63 4.188 4.013 0.175 1
1 712 . 3 1 1 A 63 63 GLY C C 63 172.420 174.238 -1.818 1
1 713 . 3 1 1 A 64 64 GLU N N 64 117.287 119.955 -2.668 1
1 714 . 3 1 1 A 64 64 GLU H H 64 7.909 8.046 -0.137 1
1 715 . 3 1 1 A 64 64 GLU CA C 64 53.972 55.080 -1.108 1
1 716 . 3 1 1 A 64 64 GLU HA H 64 4.549 4.712 -0.163 1
1 717 . 3 1 1 A 64 64 GLU CB C 64 32.449 31.741 0.708 1
1 723 . 3 1 1 A 64 64 GLU C C 64 174.611 174.828 -0.217 1
1 724 . 3 1 1 A 65 65 VAL N N 65 118.093 121.145 -3.052 1
1 725 . 3 1 1 A 65 65 VAL H H 65 8.337 8.969 -0.632 1
1 726 . 3 1 1 A 65 65 VAL CA C 65 59.380 59.749 -0.369 1
1 727 . 3 1 1 A 65 65 VAL HA H 65 5.149 4.983 0.166 1
1 728 . 3 1 1 A 65 65 VAL CB C 65 35.892 35.587 0.305 1
1 738 . 3 1 1 A 65 65 VAL C C 65 172.013 173.810 -1.797 1
1 739 . 3 1 1 A 66 66 ALA N N 66 130.790 129.511 1.279 1
1 740 . 3 1 1 A 66 66 ALA H H 66 8.876 8.799 0.077 1
1 741 . 3 1 1 A 66 66 ALA CA C 66 50.170 51.066 -0.896 1
1 742 . 3 1 1 A 66 66 ALA HA H 66 4.879 5.238 -0.359 1
1 743 . 3 1 1 A 66 66 ALA CB C 66 21.291 20.938 0.353 1
1 747 . 3 1 1 A 66 66 ALA C C 66 175.997 176.906 -0.909 1
1 748 . 3 1 1 A 67 67 VAL N N 67 119.453 121.676 -2.223 1
1 749 . 3 1 1 A 67 67 VAL H H 67 8.615 8.855 -0.240 1
1 750 . 3 1 1 A 67 67 VAL CA C 67 61.078 61.153 -0.075 1
1 751 . 3 1 1 A 67 67 VAL HA H 67 5.255 5.035 0.220 1
1 752 . 3 1 1 A 67 67 VAL CB C 67 36.283 34.598 1.685 1
1 762 . 3 1 1 A 67 67 VAL C C 67 176.213 174.280 1.933 1
1 763 . 3 1 1 A 68 68 LEU N N 68 126.404 129.955 -3.551 1
1 764 . 3 1 1 A 68 68 LEU H H 68 9.013 8.956 0.057 1
1 765 . 3 1 1 A 68 68 LEU CA C 68 53.424 53.325 0.099 1
1 766 . 3 1 1 A 68 68 LEU HA H 68 4.809 5.085 -0.276 1
1 767 . 3 1 1 A 68 68 LEU CB C 68 46.473 45.882 0.591 1
1 780 . 3 1 1 A 68 68 LEU C C 68 174.704 174.849 -0.145 1
1 781 . 3 1 1 A 69 69 LYS N N 69 123.462 128.327 -4.865 1
1 782 . 3 1 1 A 69 69 LYS H H 69 8.756 8.842 -0.086 1
1 783 . 3 1 1 A 69 69 LYS CA C 69 55.228 55.718 -0.490 1
1 784 . 3 1 1 A 69 69 LYS HA H 69 4.791 4.783 0.008 1
1 785 . 3 1 1 A 69 69 LYS CB C 69 33.820 33.365 0.455 1
1 797 . 3 1 1 A 69 69 LYS C C 69 177.387 176.132 1.255 1
1 798 . 3 1 1 A 70 70 ARG N N 70 127.852 127.591 0.261 1
1 799 . 3 1 1 A 70 70 ARG H H 70 8.688 9.249 -0.561 1
1 800 . 3 1 1 A 70 70 ARG CA C 70 52.929 55.205 -2.276 1
1 801 . 3 1 1 A 70 70 ARG CB C 70 34.028 31.355 2.673 1
1 809 . 3 1 1 A 70 70 ARG C C 70 175.460 177.387 -1.927 1
1 810 . 3 1 1 A 71 71 ASP CA C 71 55.193 56.761 -1.568 1
1 811 . 3 1 1 A 71 71 ASP HA H 71 4.268 4.329 -0.061 1
1 812 . 3 1 1 A 71 71 ASP CB C 71 40.326 40.884 -0.558 1
1 815 . 3 1 1 A 71 71 ASP C C 71 175.970 177.020 -1.050 1
1 816 . 3 1 1 A 72 72 GLY N N 72 104.319 106.041 -1.722 1
1 817 . 3 1 1 A 72 72 GLY H H 72 8.642 7.333 1.309 1
1 818 . 3 1 1 A 72 72 GLY CA C 72 45.692 45.568 0.124 1
1 819 . 3 1 1 A 72 72 GLY HA2 H 72 4.062 3.950 0.112 1
1 820 . 3 1 1 A 72 72 GLY HA3 H 72 3.516 3.989 -0.473 1
1 821 . 3 1 1 A 72 72 GLY C C 72 172.604 173.644 -1.040 1
1 822 . 3 1 1 A 73 73 ARG N N 73 118.257 116.137 2.120 1
1 823 . 3 1 1 A 73 73 ARG H H 73 7.794 7.488 0.306 1
1 824 . 3 1 1 A 73 73 ARG CA C 73 52.893 53.627 -0.734 1
1 825 . 3 1 1 A 73 73 ARG HA H 73 4.560 4.586 -0.026 1
1 826 . 3 1 1 A 73 73 ARG CB C 73 31.831 33.848 -2.017 1
1 837 . 3 1 1 A 73 73 ARG C C 73 173.057 173.586 -0.529 1
1 838 . 3 1 1 A 74 74 TYR N N 74 117.830 120.222 -2.392 1
1 839 . 3 1 1 A 74 74 TYR H H 74 8.366 8.729 -0.363 1
1 840 . 3 1 1 A 74 74 TYR CA C 74 57.987 56.686 1.301 1
1 841 . 3 1 1 A 74 74 TYR HA H 74 5.005 5.049 -0.044 1
1 842 . 3 1 1 A 74 74 TYR CB C 74 40.473 39.087 1.386 1
1 853 . 3 1 1 A 74 74 TYR C C 74 173.530 174.385 -0.855 1
1 854 . 3 1 1 A 75 75 ILE N N 75 120.880 124.622 -3.742 1
1 855 . 3 1 1 A 75 75 ILE H H 75 8.923 8.922 0.001 1
1 856 . 3 1 1 A 75 75 ILE CA C 75 59.632 60.191 -0.559 1
1 857 . 3 1 1 A 75 75 ILE HA H 75 4.398 4.665 -0.267 1
1 858 . 3 1 1 A 75 75 ILE CB C 75 37.608 38.909 -1.301 1
1 871 . 3 1 1 A 75 75 ILE C C 75 174.203 174.694 -0.491 1
1 872 . 3 1 1 A 76 76 TYR N N 76 125.586 127.539 -1.953 1
1 873 . 3 1 1 A 76 76 TYR H H 76 9.540 8.880 0.660 1
1 874 . 3 1 1 A 76 76 TYR CA C 76 59.137 56.929 2.208 1
1 875 . 3 1 1 A 76 76 TYR HA H 76 4.630 5.555 -0.925 1
1 876 . 3 1 1 A 76 76 TYR CB C 76 39.909 41.543 -1.634 1
1 887 . 3 1 1 A 76 76 TYR C C 76 174.280 174.920 -0.640 1
1 888 . 3 1 1 A 77 77 TYR N N 77 123.524 121.443 2.081 1
1 889 . 3 1 1 A 77 77 TYR H H 77 9.221 9.149 0.072 1
1 890 . 3 1 1 A 77 77 TYR CA C 77 55.476 56.509 -1.033 1
1 891 . 3 1 1 A 77 77 TYR HA H 77 4.155 5.436 -1.281 1
1 892 . 3 1 1 A 77 77 TYR CB C 77 35.926 39.708 -3.782 1
1 903 . 3 1 1 A 77 77 TYR C C 77 174.236 174.964 -0.728 1
1 904 . 3 1 1 A 78 78 LEU N N 78 123.875 126.082 -2.207 1
1 905 . 3 1 1 A 78 78 LEU H H 78 8.948 8.926 0.022 1
1 906 . 3 1 1 A 78 78 LEU CA C 78 55.635 55.870 -0.235 1
1 907 . 3 1 1 A 78 78 LEU HA H 78 4.134 4.411 -0.277 1
1 908 . 3 1 1 A 78 78 LEU CB C 78 40.856 42.222 -1.366 1
1 921 . 3 1 1 A 78 78 LEU C C 78 175.294 176.297 -1.003 1
1 922 . 3 1 1 A 79 79 ILE N N 79 127.986 124.077 3.909 1
1 923 . 3 1 1 A 79 79 ILE H H 79 8.322 8.298 0.024 1
1 924 . 3 1 1 A 79 79 ILE CA C 79 59.349 60.414 -1.065 1
1 925 . 3 1 1 A 79 79 ILE HA H 79 4.372 4.824 -0.452 1
1 926 . 3 1 1 A 79 79 ILE CB C 79 34.277 39.535 -5.258 1
1 939 . 3 1 1 A 79 79 ILE C C 79 176.505 175.885 0.620 1
1 940 . 3 1 1 A 80 80 THR N N 80 113.978 118.850 -4.872 1
1 941 . 3 1 1 A 80 80 THR H H 80 8.276 8.835 -0.559 1
1 942 . 3 1 1 A 80 80 THR CA C 80 61.646 62.082 -0.436 1
1 943 . 3 1 1 A 80 80 THR HA H 80 4.334 4.579 -0.245 1
1 944 . 3 1 1 A 80 80 THR CB C 80 69.165 69.767 -0.602 1
1 950 . 3 1 1 A 80 80 THR C C 80 172.999 174.266 -1.267 1
1 951 . 3 1 1 A 81 81 LYS N N 81 114.856 119.406 -4.550 1
1 952 . 3 1 1 A 81 81 LYS H H 81 7.512 7.588 -0.076 1
1 953 . 3 1 1 A 81 81 LYS CA C 81 54.894 54.348 0.546 1
1 954 . 3 1 1 A 81 81 LYS HA H 81 4.649 4.776 -0.127 1
1 955 . 3 1 1 A 81 81 LYS CB C 81 34.139 35.431 -1.292 1
1 964 . 3 1 1 A 81 81 LYS C C 81 175.344 175.759 -0.415 1
1 965 . 3 1 1 A 82 82 LYS N N 82 121.209 117.901 3.308 1
1 966 . 3 1 1 A 82 82 LYS H H 82 9.577 8.874 0.703 1
1 967 . 3 1 1 A 82 82 LYS CA C 82 60.198 56.952 3.246 1
1 968 . 3 1 1 A 82 82 LYS HA H 82 3.884 4.635 -0.751 1
1 969 . 3 1 1 A 82 82 LYS CB C 82 33.603 34.496 -0.893 1
1 981 . 3 1 1 A 82 82 LYS C C 82 176.049 176.645 -0.596 1
1 982 . 3 1 1 A 83 83 ARG N N 83 112.456 117.120 -4.664 1
1 983 . 3 1 1 A 83 83 ARG H H 83 6.717 7.524 -0.807 1
1 984 . 3 1 1 A 83 83 ARG CA C 83 52.451 53.910 -1.459 1
1 985 . 3 1 1 A 83 83 ARG HA H 83 4.691 4.814 -0.123 1
1 986 . 3 1 1 A 83 83 ARG CB C 83 32.857 34.500 -1.643 1
1 995 . 3 1 1 A 83 83 ARG C C 83 177.299 176.201 1.098 1
1 996 . 3 1 1 A 84 84 ALA N N 84 124.857 124.117 0.740 1
1 997 . 3 1 1 A 84 84 ALA H H 84 9.290 8.687 0.603 1
1 998 . 3 1 1 A 84 84 ALA CA C 84 56.005 54.948 1.057 1
1 999 . 3 1 1 A 84 84 ALA HA H 84 3.895 4.009 -0.114 1
1 1000 . 3 1 1 A 84 84 ALA CB C 84 19.175 18.341 0.834 1
1 1004 . 3 1 1 A 84 84 ALA C C 84 178.350 179.580 -1.230 1
1 1005 . 3 1 1 A 85 85 SER CA C 85 58.631 61.083 -2.452 1
1 1006 . 3 1 1 A 85 85 SER HA H 85 4.338 4.224 0.114 1
1 1007 . 3 1 1 A 85 85 SER CB C 85 63.277 63.135 0.142 1
1 1010 . 3 1 1 A 85 85 SER C C 85 175.469 174.247 1.222 1
1 1011 . 3 1 1 A 86 86 HIS N N 86 121.978 117.664 4.314 1
1 1012 . 3 1 1 A 86 86 HIS H H 86 7.560 7.270 0.290 1
1 1013 . 3 1 1 A 86 86 HIS CA C 86 54.468 55.085 -0.617 1
1 1014 . 3 1 1 A 86 86 HIS HA H 86 4.766 5.078 -0.312 1
1 1015 . 3 1 1 A 86 86 HIS CB C 86 33.069 32.090 0.979 1
1 1022 . 3 1 1 A 86 86 HIS C C 86 174.466 175.040 -0.574 1
1 1023 . 3 1 1 A 87 87 LYS N N 87 122.014 123.440 -1.426 1
1 1024 . 3 1 1 A 87 87 LYS H H 87 8.693 8.636 0.057 1
1 1025 . 3 1 1 A 87 87 LYS CA C 87 53.283 53.907 -0.624 1
1 1026 . 3 1 1 A 87 87 LYS HA H 87 4.792 4.587 0.205 1
1 1027 . 3 1 1 A 87 87 LYS CB C 87 32.803 31.991 0.812 1
1 1037 . 3 1 1 A 87 87 LYS C C 87 175.072 174.559 0.513 1
1 1038 . 3 1 1 A 88 88 PRO CA C 88 62.515 62.666 -0.151 1
1 1039 . 3 1 1 A 88 88 PRO HA H 88 4.796 4.712 0.084 1
1 1040 . 3 1 1 A 88 88 PRO CB C 88 32.687 32.434 0.253 1
1 1049 . 3 1 1 A 88 88 PRO C C 88 175.319 176.035 -0.716 1
1 1050 . 3 1 1 A 89 89 THR N N 89 107.501 112.338 -4.837 1
1 1051 . 3 1 1 A 89 89 THR H H 89 7.933 8.171 -0.238 1
1 1052 . 3 1 1 A 89 89 THR CA C 89 58.518 59.851 -1.333 1
1 1053 . 3 1 1 A 89 89 THR HA H 89 4.758 4.695 0.063 1
1 1054 . 3 1 1 A 89 89 THR CB C 89 70.861 71.393 -0.532 1
1 1060 . 3 1 1 A 89 89 THR C C 89 175.662 175.426 0.236 1
1 1061 . 3 1 1 A 90 90 TYR N N 90 120.845 124.432 -3.587 1
1 1062 . 3 1 1 A 90 90 TYR H H 90 8.751 8.911 -0.160 1
1 1063 . 3 1 1 A 90 90 TYR CA C 90 63.195 61.187 2.008 1
1 1064 . 3 1 1 A 90 90 TYR HA H 90 4.064 4.189 -0.125 1
1 1065 . 3 1 1 A 90 90 TYR CB C 90 37.372 38.120 -0.748 1
1 1076 . 3 1 1 A 90 90 TYR C C 90 178.063 178.044 0.019 1
1 1077 . 3 1 1 A 91 91 GLU N N 91 118.210 120.128 -1.918 1
1 1078 . 3 1 1 A 91 91 GLU H H 91 8.857 8.398 0.459 1
1 1079 . 3 1 1 A 91 91 GLU CA C 91 60.312 59.736 0.576 1
1 1080 . 3 1 1 A 91 91 GLU HA H 91 4.114 4.003 0.111 1
1 1081 . 3 1 1 A 91 91 GLU CB C 91 29.276 29.128 0.148 1
1 1087 . 3 1 1 A 91 91 GLU C C 91 178.970 179.371 -0.401 1
1 1088 . 3 1 1 A 92 92 ASN N N 92 117.220 118.519 -1.299 1
1 1089 . 3 1 1 A 92 92 ASN H H 92 7.894 8.104 -0.210 1
1 1090 . 3 1 1 A 92 92 ASN CA C 92 55.334 56.373 -1.039 1
1 1091 . 3 1 1 A 92 92 ASN HA H 92 4.696 4.546 0.150 1
1 1092 . 3 1 1 A 92 92 ASN CB C 92 37.704 37.852 -0.148 1
1 1098 . 3 1 1 A 92 92 ASN C C 92 178.155 177.757 0.398 1
1 1099 . 3 1 1 A 93 93 LEU N N 93 121.622 121.626 -0.004 1
1 1100 . 3 1 1 A 93 93 LEU H H 93 8.038 8.368 -0.330 1
1 1101 . 3 1 1 A 93 93 LEU CA C 93 58.495 58.866 -0.371 1
1 1102 . 3 1 1 A 93 93 LEU HA H 93 4.092 3.985 0.107 1
1 1103 . 3 1 1 A 93 93 LEU CB C 93 41.383 41.990 -0.607 1
1 1116 . 3 1 1 A 93 93 LEU C C 93 177.808 178.491 -0.683 1
1 1117 . 3 1 1 A 94 94 GLN N N 94 120.352 118.232 2.120 1
1 1118 . 3 1 1 A 94 94 GLN H H 94 8.792 8.208 0.584 1
1 1119 . 3 1 1 A 94 94 GLN CA C 94 61.099 59.408 1.691 1
1 1120 . 3 1 1 A 94 94 GLN HA H 94 3.721 3.985 -0.264 1
1 1121 . 3 1 1 A 94 94 GLN CB C 94 27.560 28.740 -1.180 1
1 1130 . 3 1 1 A 94 94 GLN C C 94 178.042 178.344 -0.302 1
1 1131 . 3 1 1 A 95 95 LYS N N 95 117.824 118.423 -0.599 1
1 1132 . 3 1 1 A 95 95 LYS H H 95 7.803 7.750 0.053 1
1 1133 . 3 1 1 A 95 95 LYS CA C 95 60.222 59.371 0.851 1
1 1134 . 3 1 1 A 95 95 LYS HA H 95 4.012 3.961 0.051 1
1 1135 . 3 1 1 A 95 95 LYS CB C 95 33.168 32.261 0.907 1
1 1147 . 3 1 1 A 95 95 LYS C C 95 179.868 179.430 0.438 1
1 1148 . 3 1 1 A 96 96 SER N N 96 118.301 116.459 1.842 1
1 1149 . 3 1 1 A 96 96 SER H H 96 8.251 8.162 0.089 1
1 1150 . 3 1 1 A 96 96 SER CA C 96 63.668 62.441 1.227 1
1 1151 . 3 1 1 A 96 96 SER HA H 96 3.710 4.137 -0.427 1
1 1152 . 3 1 1 A 96 96 SER CB C 96 62.882 62.821 0.061 1
1 1155 . 3 1 1 A 96 96 SER C C 96 176.400 176.342 0.058 1
1 1156 . 3 1 1 A 97 97 LEU N N 97 122.701 121.156 1.545 1
1 1157 . 3 1 1 A 97 97 LEU H H 97 8.467 8.172 0.295 1
1 1158 . 3 1 1 A 97 97 LEU CA C 97 58.323 57.952 0.371 1
1 1159 . 3 1 1 A 97 97 LEU HA H 97 3.861 4.038 -0.177 1
1 1160 . 3 1 1 A 97 97 LEU CB C 97 42.995 41.284 1.711 1
1 1173 . 3 1 1 A 97 97 LEU C C 97 178.941 179.256 -0.315 1
1 1174 . 3 1 1 A 98 98 GLU N N 98 119.918 118.680 1.238 1
1 1175 . 3 1 1 A 98 98 GLU H H 98 8.410 8.188 0.222 1
1 1176 . 3 1 1 A 98 98 GLU CA C 98 59.561 59.059 0.502 1
1 1177 . 3 1 1 A 98 98 GLU HA H 98 3.622 4.023 -0.401 1
1 1178 . 3 1 1 A 98 98 GLU CB C 98 29.142 28.936 0.206 1
1 1184 . 3 1 1 A 98 98 GLU C C 98 179.137 177.948 1.189 1
1 1185 . 3 1 1 A 99 99 ALA N N 99 124.193 122.990 1.203 1
1 1186 . 3 1 1 A 99 99 ALA H H 99 8.197 7.864 0.333 1
1 1187 . 3 1 1 A 99 99 ALA CA C 99 55.016 54.241 0.775 1
1 1188 . 3 1 1 A 99 99 ALA HA H 99 4.247 4.236 0.011 1
1 1189 . 3 1 1 A 99 99 ALA CB C 99 17.815 18.881 -1.066 1
1 1193 . 3 1 1 A 99 99 ALA C C 99 181.133 179.243 1.890 1
1 1194 . 3 1 1 A 100 100 MET N N 100 122.009 118.247 3.762 1
1 1195 . 3 1 1 A 100 100 MET H H 100 8.482 7.939 0.543 1
1 1196 . 3 1 1 A 100 100 MET CA C 100 59.826 58.082 1.744 1
1 1197 . 3 1 1 A 100 100 MET HA H 100 3.714 4.001 -0.287 1
1 1198 . 3 1 1 A 100 100 MET CB C 100 32.944 32.160 0.784 1
1 1208 . 3 1 1 A 100 100 MET C C 100 176.658 177.797 -1.139 1
1 1209 . 3 1 1 A 101 101 LYS N N 101 120.991 118.445 2.546 1
1 1210 . 3 1 1 A 101 101 LYS H H 101 8.721 7.828 0.893 1
1 1211 . 3 1 1 A 101 101 LYS CA C 101 60.563 58.770 1.793 1
1 1212 . 3 1 1 A 101 101 LYS HA H 101 3.614 3.939 -0.325 1
1 1213 . 3 1 1 A 101 101 LYS CB C 101 30.759 31.970 -1.211 1
1 1225 . 3 1 1 A 101 101 LYS C C 101 177.419 178.288 -0.869 1
1 1226 . 3 1 1 A 102 102 SER N N 102 111.833 114.575 -2.742 1
1 1227 . 3 1 1 A 102 102 SER H H 102 8.005 8.002 0.003 1
1 1228 . 3 1 1 A 102 102 SER CA C 102 61.993 61.714 0.279 1
1 1229 . 3 1 1 A 102 102 SER HA H 102 4.082 4.078 0.004 1
1 1230 . 3 1 1 A 102 102 SER CB C 102 62.863 63.077 -0.214 1
1 1233 . 3 1 1 A 102 102 SER C C 102 176.601 176.767 -0.166 1
1 1234 . 3 1 1 A 103 103 HIS N N 103 121.793 120.860 0.933 1
1 1235 . 3 1 1 A 103 103 HIS H H 103 7.605 7.797 -0.192 1
1 1236 . 3 1 1 A 103 103 HIS CA C 103 62.090 59.715 2.375 1
1 1237 . 3 1 1 A 103 103 HIS HA H 103 4.000 4.245 -0.245 1
1 1238 . 3 1 1 A 103 103 HIS CB C 103 30.652 30.011 0.641 1
1 1245 . 3 1 1 A 103 103 HIS C C 103 179.129 176.493 2.636 1
1 1246 . 3 1 1 A 104 104 CYS N N 104 119.421 116.397 3.024 1
1 1247 . 3 1 1 A 104 104 CYS H H 104 9.261 7.797 1.464 1
1 1248 . 3 1 1 A 104 104 CYS CA C 104 63.841 63.597 0.244 1
1 1249 . 3 1 1 A 104 104 CYS HA H 104 4.105 4.216 -0.111 1
1 1250 . 3 1 1 A 104 104 CYS CB C 104 27.916 26.979 0.937 1
1 1253 . 3 1 1 A 104 104 CYS C C 104 178.176 177.321 0.855 1
1 1254 . 3 1 1 A 105 105 LEU N N 105 117.129 120.828 -3.699 1
1 1255 . 3 1 1 A 105 105 LEU H H 105 8.331 7.823 0.508 1
1 1256 . 3 1 1 A 105 105 LEU CA C 105 57.262 58.053 -0.791 1
1 1257 . 3 1 1 A 105 105 LEU HA H 105 4.245 3.943 0.302 1
1 1258 . 3 1 1 A 105 105 LEU CB C 105 42.030 41.935 0.095 1
1 1271 . 3 1 1 A 105 105 LEU C C 105 180.635 178.817 1.818 1
1 1272 . 3 1 1 A 106 106 LYS N N 106 118.583 116.825 1.758 1
1 1273 . 3 1 1 A 106 106 LYS H H 106 7.638 7.993 -0.355 1
1 1274 . 3 1 1 A 106 106 LYS CA C 106 58.075 60.071 -1.996 1
1 1275 . 3 1 1 A 106 106 LYS HA H 106 4.140 3.849 0.291 1
1 1276 . 3 1 1 A 106 106 LYS CB C 106 33.191 32.226 0.965 1
1 1288 . 3 1 1 A 106 106 LYS C C 106 177.466 178.421 -0.955 1
1 1289 . 3 1 1 A 107 107 ASN N N 107 113.320 114.858 -1.538 1
1 1290 . 3 1 1 A 107 107 ASN H H 107 7.606 7.713 -0.107 1
1 1291 . 3 1 1 A 107 107 ASN CA C 107 53.813 55.123 -1.310 1
1 1292 . 3 1 1 A 107 107 ASN HA H 107 4.841 4.523 0.318 1
1 1293 . 3 1 1 A 107 107 ASN CB C 107 39.785 38.151 1.634 1
1 1299 . 3 1 1 A 107 107 ASN C C 107 174.443 175.454 -1.011 1
1 1300 . 3 1 1 A 108 108 GLY N N 108 109.386 107.937 1.449 1
1 1301 . 3 1 1 A 108 108 GLY H H 108 7.667 7.878 -0.211 1
1 1302 . 3 1 1 A 108 108 GLY CA C 108 47.252 45.038 2.214 1
1 1303 . 3 1 1 A 108 108 GLY HA2 H 108 4.023 4.080 -0.057 1
1 1304 . 3 1 1 A 108 108 GLY HA3 H 108 4.023 4.090 -0.067 1
1 1305 . 3 1 1 A 108 108 GLY C C 108 174.436 174.447 -0.011 1
1 1306 . 3 1 1 A 109 109 VAL N N 109 122.758 121.229 1.529 1
1 1307 . 3 1 1 A 109 109 VAL H H 109 8.480 8.304 0.176 1
1 1308 . 3 1 1 A 109 109 VAL CA C 109 63.788 62.100 1.688 1
1 1309 . 3 1 1 A 109 109 VAL HA H 109 4.094 4.328 -0.234 1
1 1310 . 3 1 1 A 109 109 VAL CB C 109 32.931 30.804 2.127 1
1 1320 . 3 1 1 A 109 109 VAL C C 109 176.089 176.066 0.023 1
1 1321 . 3 1 1 A 110 110 THR N N 110 115.431 123.224 -7.793 1
1 1322 . 3 1 1 A 110 110 THR H H 110 8.995 8.825 0.170 1
1 1323 . 3 1 1 A 110 110 THR CA C 110 62.045 63.710 -1.665 1
1 1324 . 3 1 1 A 110 110 THR HA H 110 4.515 4.407 0.108 1
1 1325 . 3 1 1 A 110 110 THR CB C 110 70.758 69.688 1.070 1
1 1331 . 3 1 1 A 110 110 THR C C 110 173.700 173.972 -0.272 1
1 1332 . 3 1 1 A 111 111 ASP N N 111 123.757 118.036 5.721 1
1 1333 . 3 1 1 A 111 111 ASP H H 111 8.123 7.928 0.195 1
1 1334 . 3 1 1 A 111 111 ASP CA C 111 54.747 52.420 2.327 1
1 1335 . 3 1 1 A 111 111 ASP HA H 111 5.527 5.436 0.091 1
1 1336 . 3 1 1 A 111 111 ASP CB C 111 43.928 44.265 -0.337 1
1 1339 . 3 1 1 A 111 111 ASP C C 111 172.807 174.627 -1.820 1
1 1340 . 3 1 1 A 112 112 LEU N N 112 123.145 122.557 0.588 1
1 1341 . 3 1 1 A 112 112 LEU H H 112 8.671 8.506 0.165 1
1 1342 . 3 1 1 A 112 112 LEU CA C 112 52.953 54.096 -1.143 1
1 1343 . 3 1 1 A 112 112 LEU HA H 112 5.213 4.910 0.303 1
1 1344 . 3 1 1 A 112 112 LEU CB C 112 47.875 46.313 1.562 1
1 1357 . 3 1 1 A 112 112 LEU C C 112 176.803 174.510 2.293 1
1 1358 . 3 1 1 A 113 113 SER N N 113 122.973 118.949 4.024 1
1 1359 . 3 1 1 A 113 113 SER H H 113 9.473 8.853 0.620 1
1 1360 . 3 1 1 A 113 113 SER CA C 113 59.207 56.914 2.293 1
1 1361 . 3 1 1 A 113 113 SER HA H 113 6.070 5.491 0.579 1
1 1362 . 3 1 1 A 113 113 SER CB C 113 67.023 65.973 1.050 1
1 1365 . 3 1 1 A 113 113 SER C C 113 172.066 173.659 -1.593 1
1 1366 . 3 1 1 A 114 114 MET N N 114 118.476 120.972 -2.496 1
1 1367 . 3 1 1 A 114 114 MET H H 114 9.080 8.648 0.432 1
1 1368 . 3 1 1 A 114 114 MET CA C 114 54.007 53.265 0.742 1
1 1369 . 3 1 1 A 114 114 MET HA H 114 5.435 5.131 0.304 1
1 1370 . 3 1 1 A 114 114 MET CB C 114 34.867 35.988 -1.121 1
1 1380 . 3 1 1 A 114 114 MET C C 114 172.934 174.212 -1.278 1
1 1381 . 3 1 1 A 115 115 PRO CA C 115 62.262 62.309 -0.047 1
1 1382 . 3 1 1 A 115 115 PRO HA H 115 5.593 4.693 0.900 1
1 1383 . 3 1 1 A 115 115 PRO CB C 115 32.748 33.273 -0.525 1
1 1392 . 3 1 1 A 115 115 PRO C C 115 175.547 176.261 -0.714 1
1 1393 . 3 1 1 A 116 116 ARG N N 116 116.821 120.667 -3.846 1
1 1394 . 3 1 1 A 116 116 ARG H H 116 8.348 8.494 -0.146 1
1 1395 . 3 1 1 A 116 116 ARG CA C 116 55.785 56.527 -0.742 1
1 1396 . 3 1 1 A 116 116 ARG HA H 116 3.896 4.245 -0.349 1
1 1397 . 3 1 1 A 116 116 ARG CB C 116 27.344 30.646 -3.302 1
1 1406 . 3 1 1 A 116 116 ARG C C 116 176.796 176.127 0.669 1
1 1407 . 3 1 1 A 117 117 ILE N N 117 122.887 120.348 2.539 1
1 1408 . 3 1 1 A 117 117 ILE H H 117 7.989 8.751 -0.762 1
1 1409 . 3 1 1 A 117 117 ILE CA C 117 63.148 59.119 4.029 1
1 1410 . 3 1 1 A 117 117 ILE HA H 117 4.028 4.921 -0.893 1
1 1411 . 3 1 1 A 117 117 ILE CB C 117 40.010 40.704 -0.694 1
1 1424 . 3 1 1 A 117 117 ILE C C 117 174.324 175.773 -1.449 1
1 1425 . 3 1 1 A 118 118 GLY N N 118 107.320 113.028 -5.708 1
1 1426 . 3 1 1 A 118 118 GLY H H 118 8.662 8.744 -0.082 1
1 1427 . 3 1 1 A 118 118 GLY CA C 118 45.752 45.218 0.534 1
1 1428 . 3 1 1 A 118 118 GLY HA2 H 118 3.693 4.113 -0.420 1
1 1429 . 3 1 1 A 118 118 GLY HA3 H 118 4.226 4.169 0.057 1
1 1430 . 3 1 1 A 118 118 GLY C C 118 172.861 174.649 -1.788 1
1 1431 . 3 1 1 A 119 119 CYS N N 119 115.336 119.952 -4.616 1
1 1432 . 3 1 1 A 119 119 CYS H H 119 7.445 7.986 -0.541 1
1 1433 . 3 1 1 A 119 119 CYS CA C 119 58.753 60.714 -1.961 1
1 1434 . 3 1 1 A 119 119 CYS HA H 119 4.831 4.277 0.554 1
1 1435 . 3 1 1 A 119 119 CYS CB C 119 28.840 26.962 1.878 1
1 1438 . 3 1 1 A 121 121 LEU CA C 121 57.692 58.110 -0.418 1
1 1439 . 3 1 1 A 121 121 LEU HA H 121 4.152 4.073 0.079 1
1 1440 . 3 1 1 A 121 121 LEU CB C 121 41.644 42.174 -0.530 1
1 1453 . 3 1 1 A 123 123 ARG N N 123 107.909 119.039 -11.130 1
1 1454 . 3 1 1 A 123 123 ARG H H 123 7.536 7.896 -0.360 1
1 1455 . 3 1 1 A 123 123 ARG CA C 123 57.775 59.332 -1.557 1
1 1456 . 3 1 1 A 123 123 ARG HA H 123 3.989 3.935 0.054 1
1 1457 . 3 1 1 A 123 123 ARG CB C 123 28.219 30.071 -1.852 1
1 1466 . 3 1 1 A 123 123 ARG C C 123 176.088 176.357 -0.269 1
1 1467 . 3 1 1 A 124 124 LEU N N 124 118.876 118.136 0.740 1
1 1468 . 3 1 1 A 124 124 LEU H H 124 8.401 7.338 1.063 1
1 1469 . 3 1 1 A 124 124 LEU CA C 124 54.573 53.252 1.321 1
1 1470 . 3 1 1 A 124 124 LEU HA H 124 4.533 5.288 -0.755 1
1 1471 . 3 1 1 A 124 124 LEU CB C 124 39.785 46.368 -6.583 1
1 1484 . 3 1 1 A 124 124 LEU C C 124 175.551 175.831 -0.280 1
1 1485 . 3 1 1 A 125 125 GLN N N 125 116.713 119.328 -2.615 1
1 1486 . 3 1 1 A 125 125 GLN H H 125 7.779 8.702 -0.923 1
1 1487 . 3 1 1 A 125 125 GLN CA C 125 54.609 54.258 0.351 1
1 1488 . 3 1 1 A 125 125 GLN HA H 125 4.794 5.113 -0.319 1
1 1489 . 3 1 1 A 125 125 GLN CB C 125 30.327 32.129 -1.802 1
1 1498 . 3 1 1 A 125 125 GLN C C 125 177.722 176.208 1.514 1
1 1499 . 3 1 1 A 126 126 TRP N N 126 128.887 126.462 2.425 1
1 1500 . 3 1 1 A 126 126 TRP H H 126 9.755 9.182 0.573 1
1 1501 . 3 1 1 A 126 126 TRP CA C 126 59.962 61.239 -1.277 1
1 1502 . 3 1 1 A 126 126 TRP HA H 126 4.545 4.269 0.276 1
1 1503 . 3 1 1 A 126 126 TRP CB C 126 30.009 30.319 -0.310 1
1 1518 . 3 1 1 A 126 126 TRP C C 126 177.057 178.114 -1.057 1
1 1519 . 3 1 1 A 127 127 GLU N N 127 119.568 118.592 0.976 1
1 1520 . 3 1 1 A 127 127 GLU H H 127 9.946 8.468 1.478 1
1 1521 . 3 1 1 A 127 127 GLU CA C 127 60.623 59.828 0.795 1
1 1522 . 3 1 1 A 127 127 GLU HA H 127 3.780 3.884 -0.104 1
1 1523 . 3 1 1 A 127 127 GLU CB C 127 28.594 29.139 -0.545 1
1 1529 . 3 1 1 A 127 127 GLU C C 127 177.905 179.177 -1.272 1
1 1530 . 3 1 1 A 128 128 ASN N N 128 115.229 118.149 -2.920 1
1 1531 . 3 1 1 A 128 128 ASN H H 128 7.159 8.118 -0.959 1
1 1532 . 3 1 1 A 128 128 ASN CA C 128 55.370 55.805 -0.435 1
1 1533 . 3 1 1 A 128 128 ASN HA H 128 4.446 4.404 0.042 1
1 1534 . 3 1 1 A 128 128 ASN CB C 128 38.522 38.209 0.313 1
1 1540 . 3 1 1 A 128 128 ASN C C 128 177.374 177.705 -0.331 1
1 1541 . 3 1 1 A 129 129 VAL N N 129 122.487 119.528 2.959 1
1 1542 . 3 1 1 A 129 129 VAL H H 129 8.033 7.689 0.344 1
1 1543 . 3 1 1 A 129 129 VAL CA C 129 67.289 66.822 0.467 1
1 1544 . 3 1 1 A 129 129 VAL HA H 129 3.489 3.561 -0.072 1
1 1545 . 3 1 1 A 129 129 VAL CB C 129 31.824 31.547 0.277 1
1 1555 . 3 1 1 A 129 129 VAL C C 129 177.209 177.726 -0.517 1
1 1556 . 3 1 1 A 130 130 SER N N 130 115.189 114.034 1.155 1
1 1557 . 3 1 1 A 130 130 SER H H 130 8.550 8.121 0.429 1
1 1558 . 3 1 1 A 130 130 SER CA C 130 61.477 60.703 0.774 1
1 1559 . 3 1 1 A 130 130 SER HA H 130 3.151 3.580 -0.429 1
1 1560 . 3 1 1 A 130 130 SER CB C 130 61.348 61.578 -0.230 1
1 1563 . 3 1 1 A 130 130 SER C C 130 175.971 176.777 -0.806 1
1 1564 . 3 1 1 A 131 131 ALA N N 131 123.596 123.586 0.010 1
1 1565 . 3 1 1 A 131 131 ALA H H 131 6.551 7.939 -1.388 1
1 1566 . 3 1 1 A 131 131 ALA CA C 131 54.947 55.120 -0.173 1
1 1567 . 3 1 1 A 131 131 ALA HA H 131 4.079 3.910 0.169 1
1 1568 . 3 1 1 A 131 131 ALA CB C 131 18.023 17.893 0.130 1
1 1572 . 3 1 1 A 131 131 ALA C C 131 179.947 180.016 -0.069 1
1 1573 . 3 1 1 A 132 132 MET N N 132 119.410 116.406 3.004 1
1 1574 . 3 1 1 A 132 132 MET H H 132 7.442 8.085 -0.643 1
1 1575 . 3 1 1 A 132 132 MET CA C 132 58.917 58.574 0.343 1
1 1576 . 3 1 1 A 132 132 MET HA H 132 4.118 4.136 -0.018 1
1 1577 . 3 1 1 A 132 132 MET CB C 132 33.984 32.718 1.266 1
1 1587 . 3 1 1 A 132 132 MET C C 132 178.019 178.746 -0.727 1
1 1588 . 3 1 1 A 133 133 ILE N N 133 120.265 119.492 0.773 1
1 1589 . 3 1 1 A 133 133 ILE H H 133 8.554 7.965 0.589 1
1 1590 . 3 1 1 A 133 133 ILE CA C 133 66.859 65.219 1.640 1
1 1591 . 3 1 1 A 133 133 ILE HA H 133 3.470 3.787 -0.317 1
1 1592 . 3 1 1 A 133 133 ILE CB C 133 38.240 37.101 1.139 1
1 1605 . 3 1 1 A 133 133 ILE C C 133 177.949 178.822 -0.873 1
1 1606 . 3 1 1 A 134 134 GLU N N 134 117.011 121.766 -4.755 1
1 1607 . 3 1 1 A 134 134 GLU H H 134 8.106 7.993 0.113 1
1 1608 . 3 1 1 A 134 134 GLU CA C 134 59.844 59.703 0.141 1
1 1609 . 3 1 1 A 134 134 GLU HA H 134 3.919 4.029 -0.110 1
1 1610 . 3 1 1 A 134 134 GLU CB C 134 29.024 29.492 -0.468 1
1 1616 . 3 1 1 A 134 134 GLU C C 134 178.982 178.941 0.041 1
1 1617 . 3 1 1 A 135 135 GLU N N 135 118.619 118.765 -0.146 1
1 1618 . 3 1 1 A 135 135 GLU H H 135 7.848 8.103 -0.255 1
1 1619 . 3 1 1 A 135 135 GLU CA C 135 59.438 59.241 0.197 1
1 1620 . 3 1 1 A 135 135 GLU HA H 135 4.090 4.092 -0.002 1
1 1621 . 3 1 1 A 135 135 GLU CB C 135 29.948 29.343 0.605 1
1 1627 . 3 1 1 A 135 135 GLU C C 135 179.547 179.056 0.491 1
1 1628 . 3 1 1 A 136 136 VAL N N 136 119.915 121.478 -1.563 1
1 1629 . 3 1 1 A 136 136 VAL H H 136 8.793 8.159 0.634 1
1 1630 . 3 1 1 A 136 136 VAL CA C 136 66.122 66.462 -0.340 1
1 1631 . 3 1 1 A 136 136 VAL HA H 136 3.578 3.525 0.053 1
1 1632 . 3 1 1 A 136 136 VAL CB C 136 31.990 31.848 0.142 1
1 1642 . 3 1 1 A 136 136 VAL C C 136 177.646 177.576 0.070 1
1 1643 . 3 1 1 A 137 137 PHE N N 137 111.913 117.418 -5.505 1
1 1644 . 3 1 1 A 137 137 PHE H H 137 8.009 7.901 0.108 1
1 1645 . 3 1 1 A 137 137 PHE CA C 137 59.545 59.272 0.273 1
1 1646 . 3 1 1 A 137 137 PHE HA H 137 4.197 4.473 -0.276 1
1 1647 . 3 1 1 A 137 137 PHE CB C 137 38.105 38.641 -0.536 1
1 1660 . 3 1 1 A 138 138 GLU N N 138 123.997 121.926 2.071 1
1 1661 . 3 1 1 A 138 138 GLU H H 138 7.268 8.297 -1.029 1
1 1662 . 3 1 1 A 138 138 GLU CA C 138 59.222 59.729 -0.507 1
1 1663 . 3 1 1 A 138 138 GLU HA H 138 4.161 4.039 0.122 1
1 1664 . 3 1 1 A 138 138 GLU CB C 138 29.644 29.337 0.307 1
1 1670 . 3 1 1 A 139 139 ALA N N 139 121.713 119.182 2.531 1
1 1671 . 3 1 1 A 139 139 ALA H H 139 8.830 7.740 1.090 1
1 1672 . 3 1 1 A 139 139 ALA CA C 139 52.894 51.618 1.276 1
1 1673 . 3 1 1 A 139 139 ALA HA H 139 4.334 4.435 -0.101 1
1 1674 . 3 1 1 A 139 139 ALA CB C 139 17.362 18.198 -0.836 1
1 1678 . 3 1 1 A 139 139 ALA C C 139 176.943 176.207 0.736 1
1 1679 . 3 1 1 A 140 140 THR N N 140 107.901 108.919 -1.018 1
1 1680 . 3 1 1 A 140 140 THR H H 140 7.809 7.471 0.338 1
1 1681 . 3 1 1 A 140 140 THR CA C 140 61.013 60.142 0.871 1
1 1682 . 3 1 1 A 140 140 THR HA H 140 4.164 4.858 -0.694 1
1 1683 . 3 1 1 A 140 140 THR CB C 140 72.698 72.516 0.182 1
1 1689 . 3 1 1 A 140 140 THR C C 140 174.222 172.765 1.457 1
1 1690 . 3 1 1 A 141 141 ASP N N 141 120.212 120.715 -0.503 1
1 1691 . 3 1 1 A 141 141 ASP H H 141 8.959 8.850 0.109 1
1 1692 . 3 1 1 A 141 141 ASP CA C 141 53.333 52.934 0.399 1
1 1693 . 3 1 1 A 141 141 ASP HA H 141 4.991 4.973 0.018 1
1 1694 . 3 1 1 A 141 141 ASP CB C 141 40.660 41.565 -0.905 1
1 1697 . 3 1 1 A 141 141 ASP C C 141 175.403 175.353 0.050 1
1 1698 . 3 1 1 A 142 142 ILE N N 142 120.815 120.625 0.190 1
1 1699 . 3 1 1 A 142 142 ILE H H 142 7.444 7.655 -0.211 1
1 1700 . 3 1 1 A 142 142 ILE CA C 142 62.338 59.658 2.680 1
1 1701 . 3 1 1 A 142 142 ILE HA H 142 4.131 4.938 -0.807 1
1 1702 . 3 1 1 A 142 142 ILE CB C 142 38.703 41.016 -2.313 1
1 1715 . 3 1 1 A 142 142 ILE C C 142 175.399 175.401 -0.002 1
1 1716 . 3 1 1 A 143 143 LYS N N 143 129.106 123.553 5.553 1
1 1717 . 3 1 1 A 143 143 LYS H H 143 8.588 9.519 -0.931 1
1 1718 . 3 1 1 A 143 143 LYS CA C 143 55.725 54.642 1.083 1
1 1719 . 3 1 1 A 143 143 LYS HA H 143 4.444 5.050 -0.606 1
1 1720 . 3 1 1 A 143 143 LYS CB C 143 33.768 35.815 -2.047 1
1 1732 . 3 1 1 A 143 143 LYS C C 143 174.820 175.174 -0.354 1
1 1733 . 3 1 1 A 144 144 ILE N N 144 122.496 123.509 -1.013 1
1 1734 . 3 1 1 A 144 144 ILE H H 144 7.884 8.472 -0.588 1
1 1735 . 3 1 1 A 144 144 ILE CA C 144 59.861 59.672 0.189 1
1 1736 . 3 1 1 A 144 144 ILE HA H 144 4.937 5.203 -0.266 1
1 1737 . 3 1 1 A 144 144 ILE CB C 144 40.518 40.961 -0.443 1
1 1750 . 3 1 1 A 144 144 ILE C C 144 175.232 175.081 0.151 1
1 1751 . 3 1 1 A 145 145 THR N N 145 126.667 122.477 4.190 1
1 1752 . 3 1 1 A 145 145 THR H H 145 9.100 8.594 0.506 1
1 1753 . 3 1 1 A 145 145 THR CA C 145 61.374 61.777 -0.403 1
1 1754 . 3 1 1 A 145 145 THR HA H 145 4.992 4.912 0.080 1
1 1755 . 3 1 1 A 145 145 THR CB C 145 68.907 71.174 -2.267 1
1 1761 . 3 1 1 A 145 145 THR C C 145 173.158 173.218 -0.060 1
1 1762 . 3 1 1 A 146 146 VAL N N 146 127.717 127.807 -0.090 1
1 1763 . 3 1 1 A 146 146 VAL H H 146 8.818 9.246 -0.428 1
1 1764 . 3 1 1 A 146 146 VAL CA C 146 59.930 61.632 -1.702 1
1 1765 . 3 1 1 A 146 146 VAL HA H 146 5.053 4.850 0.203 1
1 1766 . 3 1 1 A 146 146 VAL CB C 146 32.906 32.014 0.892 1
1 1776 . 3 1 1 A 146 146 VAL C C 146 175.653 175.210 0.443 1
1 1777 . 3 1 1 A 147 147 TYR N N 147 129.304 127.803 1.501 1
1 1778 . 3 1 1 A 147 147 TYR H H 147 8.926 9.144 -0.218 1
1 1779 . 3 1 1 A 147 147 TYR CA C 147 57.290 57.937 -0.647 1
1 1780 . 3 1 1 A 147 147 TYR HA H 147 5.283 4.938 0.345 1
1 1781 . 3 1 1 A 147 147 TYR CB C 147 40.422 40.061 0.361 1
1 1792 . 3 1 1 A 147 147 TYR C C 147 177.250 175.628 1.622 1
1 1793 . 3 1 1 A 148 148 THR N N 148 116.883 113.709 3.174 1
1 1794 . 3 1 1 A 148 148 THR H H 148 8.607 9.063 -0.456 1
1 1795 . 3 1 1 A 148 148 THR CA C 148 61.560 60.577 0.983 1
1 1796 . 3 1 1 A 148 148 THR HA H 148 4.431 5.065 -0.634 1
1 1797 . 3 1 1 A 148 148 THR CB C 148 70.966 70.909 0.057 1
1 1803 . 3 1 1 A 148 148 THR C C 148 172.797 173.724 -0.927 1
1 1 . 4 1 1 A 5 5 SER CA C 5 58.376 59.934 -1.558 1
1 2 . 4 1 1 A 5 5 SER HA H 5 4.528 4.416 0.112 1
1 3 . 4 1 1 A 5 5 SER CB C 5 63.813 63.429 0.384 1
1 5 . 4 1 1 A 5 5 SER C C 5 174.968 174.711 0.257 1
1 6 . 4 1 1 A 6 6 SER N N 6 117.996 121.262 -3.266 1
1 7 . 4 1 1 A 6 6 SER H H 6 8.503 8.451 0.052 1
1 8 . 4 1 1 A 6 6 SER CA C 6 58.642 56.888 1.754 1
1 9 . 4 1 1 A 6 6 SER HA H 6 4.526 5.129 -0.603 1
1 10 . 4 1 1 A 6 6 SER CB C 6 63.855 66.630 -2.775 1
1 13 . 4 1 1 A 6 6 SER C C 6 175.129 175.333 -0.204 1
1 14 . 4 1 1 A 7 7 GLY N N 7 110.904 111.355 -0.451 1
1 15 . 4 1 1 A 7 7 GLY H H 7 8.470 8.356 0.114 1
1 16 . 4 1 1 A 7 7 GLY CA C 7 45.430 45.184 0.246 1
1 17 . 4 1 1 A 7 7 GLY HA2 H 7 4.030 3.929 0.101 1
1 18 . 4 1 1 A 7 7 GLY HA3 H 7 4.030 3.953 0.077 1
1 19 . 4 1 1 A 7 7 GLY C C 7 174.606 175.145 -0.539 1
1 20 . 4 1 1 A 8 8 GLY N N 8 108.942 109.368 -0.426 1
1 21 . 4 1 1 A 8 8 GLY H H 8 8.286 8.541 -0.255 1
1 22 . 4 1 1 A 8 8 GLY CA C 8 45.058 46.936 -1.878 1
1 23 . 4 1 1 A 8 8 GLY HA2 H 8 4.027 3.879 0.148 1
1 24 . 4 1 1 A 8 8 GLY HA3 H 8 4.199 3.882 0.317 1
1 25 . 4 1 1 A 8 8 GLY C C 8 173.943 174.008 -0.065 1
1 26 . 4 1 1 A 9 9 SER N N 9 115.435 117.759 -2.324 1
1 27 . 4 1 1 A 9 9 SER H H 9 8.275 8.146 0.129 1
1 28 . 4 1 1 A 9 9 SER CA C 9 57.847 58.303 -0.456 1
1 29 . 4 1 1 A 9 9 SER HA H 9 4.616 4.412 0.204 1
1 30 . 4 1 1 A 9 9 SER CB C 9 64.102 64.167 -0.065 1
1 33 . 4 1 1 A 9 9 SER C C 9 174.962 175.472 -0.510 1
1 34 . 4 1 1 A 10 10 ARG N N 10 126.156 123.665 2.491 1
1 35 . 4 1 1 A 10 10 ARG H H 10 9.427 8.581 0.846 1
1 36 . 4 1 1 A 10 10 ARG CA C 10 56.662 58.707 -2.045 1
1 37 . 4 1 1 A 10 10 ARG HA H 10 4.332 4.096 0.236 1
1 38 . 4 1 1 A 10 10 ARG CB C 10 30.289 30.357 -0.068 1
1 49 . 4 1 1 A 10 10 ARG C C 10 175.504 176.243 -0.739 1
1 50 . 4 1 1 A 11 11 ILE N N 11 119.127 120.309 -1.182 1
1 51 . 4 1 1 A 11 11 ILE H H 11 8.176 7.869 0.307 1
1 52 . 4 1 1 A 11 11 ILE CA C 11 61.153 60.357 0.796 1
1 53 . 4 1 1 A 11 11 ILE HA H 11 4.553 4.352 0.201 1
1 54 . 4 1 1 A 11 11 ILE CB C 11 39.949 39.335 0.614 1
1 67 . 4 1 1 A 11 11 ILE C C 11 176.134 174.415 1.719 1
1 68 . 4 1 1 A 12 12 THR N N 12 124.682 123.756 0.926 1
1 69 . 4 1 1 A 12 12 THR H H 12 8.534 8.410 0.124 1
1 70 . 4 1 1 A 12 12 THR CA C 12 61.630 61.117 0.513 1
1 71 . 4 1 1 A 12 12 THR HA H 12 4.359 4.709 -0.350 1
1 72 . 4 1 1 A 12 12 THR CB C 12 70.705 71.339 -0.634 1
1 78 . 4 1 1 A 12 12 THR C C 12 171.804 173.140 -1.336 1
1 79 . 4 1 1 A 13 13 TYR N N 13 124.043 125.921 -1.878 1
1 80 . 4 1 1 A 13 13 TYR H H 13 8.691 8.597 0.094 1
1 81 . 4 1 1 A 13 13 TYR CA C 13 57.846 57.329 0.517 1
1 82 . 4 1 1 A 13 13 TYR HA H 13 5.099 5.357 -0.258 1
1 83 . 4 1 1 A 13 13 TYR CB C 13 39.895 40.140 -0.245 1
1 94 . 4 1 1 A 13 13 TYR C C 13 175.924 175.516 0.408 1
1 95 . 4 1 1 A 14 14 VAL N N 14 124.012 122.169 1.843 1
1 96 . 4 1 1 A 14 14 VAL H H 14 8.633 9.047 -0.414 1
1 97 . 4 1 1 A 14 14 VAL CA C 14 60.958 60.048 0.910 1
1 98 . 4 1 1 A 14 14 VAL HA H 14 4.015 4.738 -0.723 1
1 99 . 4 1 1 A 14 14 VAL CB C 14 35.416 34.804 0.612 1
1 109 . 4 1 1 A 14 14 VAL C C 14 173.974 173.766 0.208 1
1 110 . 4 1 1 A 15 15 LYS N N 15 127.960 126.761 1.199 1
1 111 . 4 1 1 A 15 15 LYS H H 15 8.318 8.841 -0.523 1
1 112 . 4 1 1 A 15 15 LYS CA C 15 54.152 55.068 -0.916 1
1 113 . 4 1 1 A 15 15 LYS HA H 15 5.126 5.153 -0.027 1
1 114 . 4 1 1 A 15 15 LYS CB C 15 32.086 34.061 -1.975 1
1 126 . 4 1 1 A 15 15 LYS C C 15 176.050 175.321 0.729 1
1 127 . 4 1 1 A 16 16 GLY N N 16 114.545 112.868 1.677 1
1 128 . 4 1 1 A 16 16 GLY H H 16 8.508 8.382 0.126 1
1 129 . 4 1 1 A 16 16 GLY CA C 16 45.006 44.432 0.574 1
1 130 . 4 1 1 A 16 16 GLY HA2 H 16 4.028 4.183 -0.155 1
1 131 . 4 1 1 A 16 16 GLY HA3 H 16 4.197 4.209 -0.012 1
1 132 . 4 1 1 A 16 16 GLY C C 16 170.957 172.493 -1.536 1
1 133 . 4 1 1 A 17 17 ASP N N 17 119.423 121.143 -1.720 1
1 134 . 4 1 1 A 17 17 ASP H H 17 8.271 8.655 -0.384 1
1 135 . 4 1 1 A 17 17 ASP CA C 17 53.164 55.107 -1.943 1
1 136 . 4 1 1 A 17 17 ASP HA H 17 4.407 4.543 -0.136 1
1 137 . 4 1 1 A 17 17 ASP CB C 17 41.912 41.646 0.266 1
1 140 . 4 1 1 A 17 17 ASP C C 17 176.089 176.132 -0.043 1
1 141 . 4 1 1 A 18 18 LEU N N 18 130.056 124.566 5.490 1
1 142 . 4 1 1 A 18 18 LEU H H 18 8.304 8.907 -0.603 1
1 143 . 4 1 1 A 18 18 LEU CA C 18 57.156 55.475 1.681 1
1 144 . 4 1 1 A 18 18 LEU HA H 18 2.425 3.685 -1.260 1
1 145 . 4 1 1 A 18 18 LEU CB C 18 42.959 44.425 -1.466 1
1 158 . 4 1 1 A 18 18 LEU C C 18 175.737 178.032 -2.295 1
1 159 . 4 1 1 A 19 19 PHE N N 19 109.678 116.687 -7.009 1
1 160 . 4 1 1 A 19 19 PHE H H 19 7.461 7.930 -0.469 1
1 161 . 4 1 1 A 19 19 PHE CA C 19 59.844 59.218 0.626 1
1 162 . 4 1 1 A 19 19 PHE HA H 19 3.920 4.401 -0.481 1
1 163 . 4 1 1 A 19 19 PHE CB C 19 36.735 40.593 -3.858 1
1 176 . 4 1 1 A 19 19 PHE C C 19 175.833 176.474 -0.641 1
1 177 . 4 1 1 A 20 20 ALA N N 20 123.506 121.118 2.388 1
1 178 . 4 1 1 A 20 20 ALA H H 20 7.752 7.562 0.190 1
1 179 . 4 1 1 A 20 20 ALA CA C 20 51.160 52.487 -1.327 1
1 180 . 4 1 1 A 20 20 ALA HA H 20 4.518 4.308 0.210 1
1 181 . 4 1 1 A 20 20 ALA CB C 20 18.395 19.599 -1.204 1
1 185 . 4 1 1 A 20 20 ALA C C 20 176.772 179.324 -2.552 1
1 186 . 4 1 1 A 21 21 CYS N N 21 118.823 116.462 2.361 1
1 187 . 4 1 1 A 21 21 CYS H H 21 7.225 7.708 -0.483 1
1 188 . 4 1 1 A 21 21 CYS CA C 21 56.813 63.795 -6.982 1
1 189 . 4 1 1 A 21 21 CYS HA H 21 4.580 4.303 0.277 1
1 190 . 4 1 1 A 21 21 CYS CB C 21 25.916 27.399 -1.483 1
1 193 . 4 1 1 A 21 21 CYS C C 21 170.919 175.342 -4.423 1
1 194 . 4 1 1 A 22 22 PRO CA C 22 64.000 62.972 1.028 1
1 195 . 4 1 1 A 22 22 PRO HA H 22 4.373 4.546 -0.173 1
1 196 . 4 1 1 A 22 22 PRO CB C 22 31.802 32.364 -0.562 1
1 205 . 4 1 1 A 22 22 PRO C C 22 178.609 176.740 1.869 1
1 206 . 4 1 1 A 23 23 LYS N N 23 122.870 120.935 1.935 1
1 207 . 4 1 1 A 23 23 LYS H H 23 8.785 9.017 -0.232 1
1 208 . 4 1 1 A 23 23 LYS CA C 23 58.671 57.099 1.572 1
1 209 . 4 1 1 A 23 23 LYS HA H 23 4.103 4.475 -0.372 1
1 210 . 4 1 1 A 23 23 LYS CB C 23 32.078 34.455 -2.377 1
1 222 . 4 1 1 A 23 23 LYS C C 23 175.722 177.881 -2.159 1
1 223 . 4 1 1 A 24 24 THR N N 24 102.744 106.427 -3.683 1
1 224 . 4 1 1 A 24 24 THR H H 24 7.097 7.536 -0.439 1
1 225 . 4 1 1 A 24 24 THR CA C 24 61.064 61.666 -0.602 1
1 226 . 4 1 1 A 24 24 THR HA H 24 4.166 4.580 -0.414 1
1 227 . 4 1 1 A 24 24 THR CB C 24 68.805 70.647 -1.842 1
1 233 . 4 1 1 A 24 24 THR C C 24 176.216 174.639 1.577 1
1 234 . 4 1 1 A 25 25 ASP N N 25 125.303 124.389 0.914 1
1 235 . 4 1 1 A 25 25 ASP H H 25 7.768 7.728 0.040 1
1 236 . 4 1 1 A 25 25 ASP CA C 25 55.246 54.992 0.254 1
1 237 . 4 1 1 A 25 25 ASP HA H 25 4.536 4.559 -0.023 1
1 238 . 4 1 1 A 25 25 ASP CB C 25 40.321 41.461 -1.140 1
1 241 . 4 1 1 A 25 25 ASP C C 25 177.718 175.635 2.083 1
1 242 . 4 1 1 A 26 26 SER N N 26 118.303 118.862 -0.559 1
1 243 . 4 1 1 A 26 26 SER H H 26 8.472 8.581 -0.109 1
1 244 . 4 1 1 A 26 26 SER CA C 26 61.547 57.674 3.873 1
1 245 . 4 1 1 A 26 26 SER HA H 26 5.138 4.878 0.260 1
1 246 . 4 1 1 A 26 26 SER CB C 26 65.326 65.377 -0.051 1
1 249 . 4 1 1 A 26 26 SER C C 26 172.446 173.263 -0.817 1
1 250 . 4 1 1 A 27 27 LEU N N 27 121.957 121.884 0.073 1
1 251 . 4 1 1 A 27 27 LEU H H 27 8.553 8.319 0.234 1
1 252 . 4 1 1 A 27 27 LEU CA C 27 53.919 53.572 0.347 1
1 253 . 4 1 1 A 27 27 LEU HA H 27 6.004 5.453 0.551 1
1 254 . 4 1 1 A 27 27 LEU CB C 27 48.728 45.429 3.299 1
1 267 . 4 1 1 A 27 27 LEU C C 27 176.071 175.695 0.376 1
1 268 . 4 1 1 A 28 28 ALA N N 28 119.120 123.821 -4.701 1
1 269 . 4 1 1 A 28 28 ALA H H 28 8.083 8.744 -0.661 1
1 270 . 4 1 1 A 28 28 ALA CA C 28 50.738 50.673 0.065 1
1 271 . 4 1 1 A 28 28 ALA HA H 28 5.833 5.379 0.454 1
1 272 . 4 1 1 A 28 28 ALA CB C 28 24.493 22.908 1.585 1
1 276 . 4 1 1 A 28 28 ALA C C 28 174.396 175.432 -1.036 1
1 277 . 4 1 1 A 29 29 HIS N N 29 111.296 120.620 -9.324 1
1 278 . 4 1 1 A 29 29 HIS H H 29 8.042 8.229 -0.187 1
1 279 . 4 1 1 A 29 29 HIS CA C 29 55.617 55.926 -0.309 1
1 280 . 4 1 1 A 29 29 HIS HA H 29 4.552 4.812 -0.260 1
1 281 . 4 1 1 A 29 29 HIS CB C 29 31.644 32.584 -0.940 1
1 288 . 4 1 1 A 29 29 HIS C C 29 172.453 173.057 -0.604 1
1 289 . 4 1 1 A 30 30 CYS N N 30 115.842 120.951 -5.109 1
1 290 . 4 1 1 A 30 30 CYS H H 30 8.182 7.866 0.316 1
1 291 . 4 1 1 A 30 30 CYS CA C 30 57.610 56.937 0.673 1
1 292 . 4 1 1 A 30 30 CYS HA H 30 5.489 5.490 -0.001 1
1 293 . 4 1 1 A 30 30 CYS CB C 30 30.518 29.927 0.591 1
1 296 . 4 1 1 A 30 30 CYS C C 30 175.085 173.623 1.462 1
1 297 . 4 1 1 A 31 31 ILE N N 31 117.447 121.178 -3.731 1
1 298 . 4 1 1 A 31 31 ILE H H 31 9.209 9.293 -0.084 1
1 299 . 4 1 1 A 31 31 ILE CA C 31 60.057 58.837 1.220 1
1 300 . 4 1 1 A 31 31 ILE HA H 31 4.816 4.962 -0.146 1
1 301 . 4 1 1 A 31 31 ILE CB C 31 43.206 42.093 1.113 1
1 314 . 4 1 1 A 31 31 ILE C C 31 173.249 174.740 -1.491 1
1 315 . 4 1 1 A 32 32 SER N N 32 111.596 118.954 -7.358 1
1 316 . 4 1 1 A 32 32 SER H H 32 7.858 8.872 -1.014 1
1 317 . 4 1 1 A 32 32 SER CA C 32 55.599 57.486 -1.887 1
1 318 . 4 1 1 A 32 32 SER HA H 32 5.139 4.747 0.392 1
1 319 . 4 1 1 A 32 32 SER CB C 32 66.377 64.749 1.628 1
1 322 . 4 1 1 A 32 32 SER C C 32 176.120 175.686 0.434 1
1 323 . 4 1 1 A 33 33 GLU N N 33 118.525 123.364 -4.839 1
1 324 . 4 1 1 A 33 33 GLU H H 33 8.189 8.463 -0.274 1
1 325 . 4 1 1 A 33 33 GLU CA C 33 59.273 59.467 -0.194 1
1 326 . 4 1 1 A 33 33 GLU HA H 33 3.759 4.093 -0.334 1
1 327 . 4 1 1 A 33 33 GLU CB C 33 30.553 29.689 0.864 1
1 333 . 4 1 1 A 33 33 GLU C C 33 177.446 177.286 0.160 1
1 334 . 4 1 1 A 34 34 ASP N N 34 113.498 116.798 -3.300 1
1 335 . 4 1 1 A 34 34 ASP H H 34 7.480 7.810 -0.330 1
1 336 . 4 1 1 A 34 34 ASP CA C 34 54.511 53.985 0.526 1
1 337 . 4 1 1 A 34 34 ASP HA H 34 4.342 4.759 -0.417 1
1 338 . 4 1 1 A 34 34 ASP CB C 34 40.374 40.823 -0.449 1
1 341 . 4 1 1 A 34 34 ASP C C 34 175.854 175.589 0.265 1
1 342 . 4 1 1 A 35 35 CYS N N 35 111.837 116.776 -4.939 1
1 343 . 4 1 1 A 35 35 CYS H H 35 8.327 8.036 0.291 1
1 344 . 4 1 1 A 35 35 CYS CA C 35 61.093 59.904 1.189 1
1 345 . 4 1 1 A 35 35 CYS HA H 35 3.772 4.113 -0.341 1
1 346 . 4 1 1 A 35 35 CYS CB C 35 25.679 25.474 0.205 1
1 349 . 4 1 1 A 35 35 CYS C C 35 173.370 173.975 -0.605 1
1 350 . 4 1 1 A 36 36 ARG N N 36 117.440 121.003 -3.563 1
1 351 . 4 1 1 A 36 36 ARG H H 36 7.473 8.215 -0.742 1
1 352 . 4 1 1 A 36 36 ARG CA C 36 57.988 55.004 2.984 1
1 353 . 4 1 1 A 36 36 ARG HA H 36 3.981 4.473 -0.492 1
1 354 . 4 1 1 A 36 36 ARG CB C 36 30.430 29.265 1.165 1
1 363 . 4 1 1 A 36 36 ARG C C 36 177.233 175.491 1.742 1
1 364 . 4 1 1 A 37 37 MET CA C 37 56.118 54.357 1.761 1
1 365 . 4 1 1 A 37 37 MET HA H 37 4.036 5.034 -0.998 1
1 373 . 4 1 1 A 38 38 GLY H H 38 8.192 9.079 -0.887 1
1 374 . 4 1 1 A 38 38 GLY CA C 38 45.670 46.052 -0.382 1
1 375 . 4 1 1 A 38 38 GLY HA2 H 38 4.220 4.085 0.135 1
1 376 . 4 1 1 A 38 38 GLY HA3 H 38 3.595 4.090 -0.495 1
1 377 . 4 1 1 A 38 38 GLY C C 38 173.799 173.178 0.621 1
1 378 . 4 1 1 A 39 39 ALA N N 39 122.002 122.096 -0.094 1
1 379 . 4 1 1 A 39 39 ALA H H 39 7.697 7.555 0.142 1
1 380 . 4 1 1 A 39 39 ALA CA C 39 51.019 50.441 0.578 1
1 381 . 4 1 1 A 39 39 ALA HA H 39 4.678 4.708 -0.030 1
1 382 . 4 1 1 A 39 39 ALA CB C 39 22.608 21.586 1.022 1
1 386 . 4 1 1 A 39 39 ALA C C 39 176.769 177.947 -1.178 1
1 387 . 4 1 1 A 40 40 GLY N N 40 107.149 105.815 1.334 1
1 388 . 4 1 1 A 40 40 GLY H H 40 8.731 8.836 -0.105 1
1 389 . 4 1 1 A 40 40 GLY CA C 40 45.768 47.304 -1.536 1
1 390 . 4 1 1 A 40 40 GLY HA2 H 40 3.957 3.819 0.138 1
1 391 . 4 1 1 A 40 40 GLY HA3 H 40 4.220 3.832 0.388 1
1 392 . 4 1 1 A 40 40 GLY C C 40 176.747 175.974 0.773 1
1 393 . 4 1 1 A 41 41 ILE CA C 41 63.397 63.197 0.200 1
1 394 . 4 1 1 A 41 41 ILE HA H 41 4.312 4.055 0.257 1
1 395 . 4 1 1 A 41 41 ILE CB C 41 38.794 37.433 1.361 1
1 408 . 4 1 1 A 41 41 ILE C C 41 177.249 177.904 -0.655 1
1 409 . 4 1 1 A 42 42 ALA N N 42 124.835 124.165 0.670 1
1 410 . 4 1 1 A 42 42 ALA H H 42 8.629 8.346 0.283 1
1 411 . 4 1 1 A 42 42 ALA CA C 42 55.599 55.817 -0.218 1
1 412 . 4 1 1 A 42 42 ALA HA H 42 4.377 3.911 0.466 1
1 413 . 4 1 1 A 42 42 ALA CB C 42 18.155 18.080 0.075 1
1 417 . 4 1 1 A 42 42 ALA C C 42 179.079 180.119 -1.040 1
1 418 . 4 1 1 A 43 43 VAL N N 43 116.015 118.088 -2.073 1
1 419 . 4 1 1 A 43 43 VAL H H 43 7.363 8.188 -0.825 1
1 420 . 4 1 1 A 43 43 VAL CA C 43 65.623 66.856 -1.233 1
1 421 . 4 1 1 A 43 43 VAL HA H 43 3.822 3.574 0.248 1
1 422 . 4 1 1 A 43 43 VAL CB C 43 32.408 31.459 0.949 1
1 432 . 4 1 1 A 43 43 VAL C C 43 178.285 178.181 0.104 1
1 433 . 4 1 1 A 44 44 LEU N N 44 119.736 119.362 0.374 1
1 434 . 4 1 1 A 44 44 LEU H H 44 7.357 7.635 -0.278 1
1 435 . 4 1 1 A 44 44 LEU CA C 44 57.460 57.298 0.162 1
1 436 . 4 1 1 A 44 44 LEU HA H 44 3.968 3.834 0.134 1
1 437 . 4 1 1 A 44 44 LEU CB C 44 41.234 41.282 -0.048 1
1 450 . 4 1 1 A 44 44 LEU C C 44 179.972 178.799 1.173 1
1 451 . 4 1 1 A 45 45 PHE N N 45 118.434 117.474 0.960 1
1 452 . 4 1 1 A 45 45 PHE H H 45 7.733 7.543 0.190 1
1 453 . 4 1 1 A 45 45 PHE CA C 45 63.151 60.429 2.722 1
1 454 . 4 1 1 A 45 45 PHE HA H 45 4.009 4.491 -0.482 1
1 455 . 4 1 1 A 45 45 PHE CB C 45 39.883 40.127 -0.244 1
1 468 . 4 1 1 A 45 45 PHE C C 45 180.448 178.227 2.221 1
1 469 . 4 1 1 A 46 46 LYS N N 46 124.749 120.637 4.112 1
1 470 . 4 1 1 A 46 46 LYS H H 46 8.819 8.265 0.554 1
1 471 . 4 1 1 A 46 46 LYS CA C 46 60.958 59.212 1.746 1
1 472 . 4 1 1 A 46 46 LYS HA H 46 4.160 4.231 -0.071 1
1 473 . 4 1 1 A 46 46 LYS CB C 46 31.930 31.989 -0.059 1
1 485 . 4 1 1 A 46 46 LYS C C 46 179.139 178.430 0.709 1
1 486 . 4 1 1 A 47 47 LYS N N 47 119.317 118.807 0.510 1
1 487 . 4 1 1 A 47 47 LYS H H 47 8.154 8.535 -0.381 1
1 488 . 4 1 1 A 47 47 LYS CA C 47 59.331 58.908 0.423 1
1 489 . 4 1 1 A 47 47 LYS HA H 47 3.939 4.094 -0.155 1
1 490 . 4 1 1 A 47 47 LYS CB C 47 33.065 32.309 0.756 1
1 502 . 4 1 1 A 47 47 LYS C C 47 178.108 178.851 -0.743 1
1 503 . 4 1 1 A 48 48 LYS N N 48 116.005 119.680 -3.675 1
1 504 . 4 1 1 A 48 48 LYS H H 48 7.976 7.439 0.537 1
1 505 . 4 1 1 A 48 48 LYS CA C 48 58.650 58.658 -0.008 1
1 506 . 4 1 1 A 48 48 LYS HA H 48 3.684 3.755 -0.071 1
1 507 . 4 1 1 A 48 48 LYS CB C 48 32.372 31.641 0.731 1
1 519 . 4 1 1 A 48 48 LYS C C 48 178.213 178.285 -0.072 1
1 520 . 4 1 1 A 49 49 PHE N N 49 112.629 114.428 -1.799 1
1 521 . 4 1 1 A 49 49 PHE H H 49 7.658 7.248 0.410 1
1 522 . 4 1 1 A 49 49 PHE CA C 49 56.958 59.072 -2.114 1
1 523 . 4 1 1 A 49 49 PHE HA H 49 5.028 4.598 0.430 1
1 524 . 4 1 1 A 49 49 PHE CB C 49 40.496 40.538 -0.042 1
1 537 . 4 1 1 A 49 49 PHE C C 49 176.188 176.545 -0.357 1
1 538 . 4 1 1 A 50 50 GLY N N 50 108.499 108.348 0.151 1
1 539 . 4 1 1 A 50 50 GLY H H 50 7.821 8.264 -0.443 1
1 540 . 4 1 1 A 50 50 GLY CA C 50 46.579 46.679 -0.100 1
1 541 . 4 1 1 A 50 50 GLY HA2 H 50 3.953 4.015 -0.062 1
1 542 . 4 1 1 A 50 50 GLY HA3 H 50 3.953 4.039 -0.086 1
1 543 . 4 1 1 A 50 50 GLY C C 50 174.288 175.741 -1.453 1
1 544 . 4 1 1 A 51 51 GLY N N 51 108.968 107.513 1.455 1
1 545 . 4 1 1 A 51 51 GLY H H 51 8.600 8.084 0.516 1
1 546 . 4 1 1 A 51 51 GLY CA C 51 46.597 45.604 0.993 1
1 547 . 4 1 1 A 51 51 GLY HA2 H 51 3.943 3.986 -0.043 1
1 548 . 4 1 1 A 51 51 GLY HA3 H 51 4.047 3.992 0.055 1
1 549 . 4 1 1 A 51 51 GLY C C 51 174.522 175.673 -1.151 1
1 550 . 4 1 1 A 52 52 VAL N N 52 118.929 119.126 -0.197 1
1 551 . 4 1 1 A 52 52 VAL H H 52 7.980 7.967 0.013 1
1 552 . 4 1 1 A 52 52 VAL CA C 52 68.080 65.653 2.427 1
1 553 . 4 1 1 A 52 52 VAL HA H 52 3.334 3.653 -0.319 1
1 554 . 4 1 1 A 52 52 VAL CB C 52 31.150 31.389 -0.239 1
1 564 . 4 1 1 A 52 52 VAL C C 52 177.566 177.682 -0.116 1
1 565 . 4 1 1 A 53 53 GLN N N 53 116.880 121.326 -4.446 1
1 566 . 4 1 1 A 53 53 GLN H H 53 8.513 8.040 0.473 1
1 567 . 4 1 1 A 53 53 GLN CA C 53 58.730 59.035 -0.305 1
1 568 . 4 1 1 A 53 53 GLN HA H 53 3.946 3.969 -0.023 1
1 569 . 4 1 1 A 53 53 GLN CB C 53 28.098 28.331 -0.233 1
1 578 . 4 1 1 A 53 53 GLN C C 53 177.916 178.167 -0.251 1
1 579 . 4 1 1 A 54 54 GLU N N 54 119.584 119.778 -0.194 1
1 580 . 4 1 1 A 54 54 GLU H H 54 7.525 7.948 -0.423 1
1 581 . 4 1 1 A 54 54 GLU CA C 54 59.754 58.409 1.345 1
1 582 . 4 1 1 A 54 54 GLU HA H 54 3.980 4.123 -0.143 1
1 583 . 4 1 1 A 54 54 GLU CB C 54 29.509 30.134 -0.625 1
1 589 . 4 1 1 A 54 54 GLU C C 54 180.168 179.700 0.468 1
1 590 . 4 1 1 A 55 55 LEU N N 55 121.130 120.714 0.416 1
1 591 . 4 1 1 A 55 55 LEU H H 55 8.437 8.439 -0.002 1
1 592 . 4 1 1 A 55 55 LEU CA C 55 58.005 57.970 0.035 1
1 593 . 4 1 1 A 55 55 LEU HA H 55 3.870 3.956 -0.086 1
1 594 . 4 1 1 A 55 55 LEU CB C 55 42.588 41.340 1.248 1
1 607 . 4 1 1 A 55 55 LEU C C 55 180.835 179.319 1.516 1
1 608 . 4 1 1 A 56 56 LEU N N 56 123.508 119.125 4.383 1
1 609 . 4 1 1 A 56 56 LEU H H 56 8.664 8.156 0.508 1
1 610 . 4 1 1 A 56 56 LEU CA C 56 58.397 58.069 0.328 1
1 611 . 4 1 1 A 56 56 LEU HA H 56 3.972 3.933 0.039 1
1 612 . 4 1 1 A 56 56 LEU CB C 56 42.087 40.547 1.540 1
1 625 . 4 1 1 A 56 56 LEU C C 56 181.257 179.527 1.730 1
1 626 . 4 1 1 A 57 57 ASN N N 57 116.946 118.370 -1.424 1
1 627 . 4 1 1 A 57 57 ASN H H 57 8.334 8.120 0.214 1
1 628 . 4 1 1 A 57 57 ASN CA C 57 54.627 56.471 -1.844 1
1 629 . 4 1 1 A 57 57 ASN HA H 57 4.566 4.433 0.133 1
1 630 . 4 1 1 A 57 57 ASN CB C 57 38.170 38.016 0.154 1
1 636 . 4 1 1 A 57 57 ASN C C 57 176.756 177.369 -0.613 1
1 637 . 4 1 1 A 58 58 GLN N N 58 118.214 116.670 1.544 1
1 638 . 4 1 1 A 58 58 GLN H H 58 7.670 7.388 0.282 1
1 639 . 4 1 1 A 58 58 GLN CA C 58 58.022 55.864 2.158 1
1 640 . 4 1 1 A 58 58 GLN HA H 58 4.184 4.309 -0.125 1
1 641 . 4 1 1 A 58 58 GLN CB C 58 28.460 29.163 -0.703 1
1 650 . 4 1 1 A 58 58 GLN C C 58 175.792 175.435 0.357 1
1 651 . 4 1 1 A 59 59 GLN N N 59 114.113 116.152 -2.039 1
1 652 . 4 1 1 A 59 59 GLN H H 59 7.825 8.236 -0.411 1
1 653 . 4 1 1 A 59 59 GLN CA C 59 56.584 56.870 -0.286 1
1 654 . 4 1 1 A 59 59 GLN HA H 59 4.015 3.814 0.201 1
1 655 . 4 1 1 A 59 59 GLN CB C 59 26.829 26.273 0.556 1
1 664 . 4 1 1 A 59 59 GLN C C 59 175.049 175.198 -0.149 1
1 665 . 4 1 1 A 60 60 LYS N N 60 118.472 118.933 -0.461 1
1 666 . 4 1 1 A 60 60 LYS H H 60 9.134 8.198 0.936 1
1 667 . 4 1 1 A 60 60 LYS CA C 60 54.005 56.594 -2.589 1
1 668 . 4 1 1 A 60 60 LYS HA H 60 4.458 4.308 0.150 1
1 669 . 4 1 1 A 60 60 LYS CB C 60 32.573 33.553 -0.980 1
1 681 . 4 1 1 A 60 60 LYS C C 60 176.936 175.897 1.039 1
1 682 . 4 1 1 A 61 61 LYS N N 61 121.877 121.358 0.519 1
1 683 . 4 1 1 A 61 61 LYS H H 61 9.069 8.806 0.263 1
1 684 . 4 1 1 A 61 61 LYS CA C 61 53.421 54.282 -0.861 1
1 685 . 4 1 1 A 61 61 LYS HA H 61 4.517 4.873 -0.356 1
1 686 . 4 1 1 A 61 61 LYS CB C 61 35.816 36.351 -0.535 1
1 698 . 4 1 1 A 61 61 LYS C C 61 175.049 176.144 -1.095 1
1 699 . 4 1 1 A 62 62 SER N N 62 114.153 115.471 -1.318 1
1 700 . 4 1 1 A 62 62 SER H H 62 8.524 8.246 0.278 1
1 701 . 4 1 1 A 62 62 SER CA C 62 60.959 59.616 1.343 1
1 702 . 4 1 1 A 62 62 SER HA H 62 3.954 4.489 -0.535 1
1 703 . 4 1 1 A 62 62 SER CB C 62 64.374 62.722 1.652 1
1 706 . 4 1 1 A 62 62 SER C C 62 175.660 174.852 0.808 1
1 707 . 4 1 1 A 63 63 GLY N N 63 111.615 113.411 -1.796 1
1 708 . 4 1 1 A 63 63 GLY H H 63 9.308 8.455 0.853 1
1 709 . 4 1 1 A 63 63 GLY CA C 63 44.971 45.175 -0.204 1
1 710 . 4 1 1 A 63 63 GLY HA2 H 63 4.188 3.997 0.191 1
1 711 . 4 1 1 A 63 63 GLY HA3 H 63 4.188 3.999 0.189 1
1 712 . 4 1 1 A 63 63 GLY C C 63 172.420 174.292 -1.872 1
1 713 . 4 1 1 A 64 64 GLU N N 64 117.287 119.861 -2.574 1
1 714 . 4 1 1 A 64 64 GLU H H 64 7.909 7.996 -0.087 1
1 715 . 4 1 1 A 64 64 GLU CA C 64 53.972 55.354 -1.382 1
1 716 . 4 1 1 A 64 64 GLU HA H 64 4.549 4.765 -0.216 1
1 717 . 4 1 1 A 64 64 GLU CB C 64 32.449 32.104 0.345 1
1 723 . 4 1 1 A 64 64 GLU C C 64 174.611 174.936 -0.325 1
1 724 . 4 1 1 A 65 65 VAL N N 65 118.093 121.020 -2.927 1
1 725 . 4 1 1 A 65 65 VAL H H 65 8.337 8.907 -0.570 1
1 726 . 4 1 1 A 65 65 VAL CA C 65 59.380 60.016 -0.636 1
1 727 . 4 1 1 A 65 65 VAL HA H 65 5.149 4.857 0.292 1
1 728 . 4 1 1 A 65 65 VAL CB C 65 35.892 35.725 0.167 1
1 738 . 4 1 1 A 65 65 VAL C C 65 172.013 173.580 -1.567 1
1 739 . 4 1 1 A 66 66 ALA N N 66 130.790 129.890 0.900 1
1 740 . 4 1 1 A 66 66 ALA H H 66 8.876 8.486 0.390 1
1 741 . 4 1 1 A 66 66 ALA CA C 66 50.170 50.400 -0.230 1
1 742 . 4 1 1 A 66 66 ALA HA H 66 4.879 5.513 -0.634 1
1 743 . 4 1 1 A 66 66 ALA CB C 66 21.291 21.246 0.045 1
1 747 . 4 1 1 A 66 66 ALA C C 66 175.997 176.182 -0.185 1
1 748 . 4 1 1 A 67 67 VAL N N 67 119.453 122.099 -2.646 1
1 749 . 4 1 1 A 67 67 VAL H H 67 8.615 8.495 0.120 1
1 750 . 4 1 1 A 67 67 VAL CA C 67 61.078 61.145 -0.067 1
1 751 . 4 1 1 A 67 67 VAL HA H 67 5.255 5.029 0.226 1
1 752 . 4 1 1 A 67 67 VAL CB C 67 36.283 33.952 2.331 1
1 762 . 4 1 1 A 67 67 VAL C C 67 176.213 174.150 2.063 1
1 763 . 4 1 1 A 68 68 LEU N N 68 126.404 129.235 -2.831 1
1 764 . 4 1 1 A 68 68 LEU H H 68 9.013 8.725 0.288 1
1 765 . 4 1 1 A 68 68 LEU CA C 68 53.424 53.475 -0.051 1
1 766 . 4 1 1 A 68 68 LEU HA H 68 4.809 5.009 -0.200 1
1 767 . 4 1 1 A 68 68 LEU CB C 68 46.473 46.229 0.244 1
1 780 . 4 1 1 A 68 68 LEU C C 68 174.704 174.583 0.121 1
1 781 . 4 1 1 A 69 69 LYS N N 69 123.462 128.066 -4.604 1
1 782 . 4 1 1 A 69 69 LYS H H 69 8.756 9.058 -0.302 1
1 783 . 4 1 1 A 69 69 LYS CA C 69 55.228 55.431 -0.203 1
1 784 . 4 1 1 A 69 69 LYS HA H 69 4.791 4.942 -0.151 1
1 785 . 4 1 1 A 69 69 LYS CB C 69 33.820 33.582 0.238 1
1 797 . 4 1 1 A 69 69 LYS C C 69 177.387 175.296 2.091 1
1 798 . 4 1 1 A 70 70 ARG N N 70 127.852 124.991 2.861 1
1 799 . 4 1 1 A 70 70 ARG H H 70 8.688 8.480 0.208 1
1 800 . 4 1 1 A 70 70 ARG CA C 70 52.929 54.249 -1.320 1
1 801 . 4 1 1 A 70 70 ARG CB C 70 34.028 33.790 0.238 1
1 809 . 4 1 1 A 70 70 ARG C C 70 175.460 175.391 0.069 1
1 810 . 4 1 1 A 71 71 ASP CA C 71 55.193 55.443 -0.250 1
1 811 . 4 1 1 A 71 71 ASP HA H 71 4.268 4.567 -0.299 1
1 812 . 4 1 1 A 71 71 ASP CB C 71 40.326 39.843 0.483 1
1 815 . 4 1 1 A 71 71 ASP C C 71 175.970 176.267 -0.297 1
1 816 . 4 1 1 A 72 72 GLY N N 72 104.319 103.977 0.342 1
1 817 . 4 1 1 A 72 72 GLY H H 72 8.642 8.669 -0.027 1
1 818 . 4 1 1 A 72 72 GLY CA C 72 45.692 46.685 -0.993 1
1 819 . 4 1 1 A 72 72 GLY HA2 H 72 4.062 3.815 0.247 1
1 820 . 4 1 1 A 72 72 GLY HA3 H 72 3.516 3.850 -0.334 1
1 821 . 4 1 1 A 72 72 GLY C C 72 172.604 173.368 -0.764 1
1 822 . 4 1 1 A 73 73 ARG N N 73 118.257 114.523 3.734 1
1 823 . 4 1 1 A 73 73 ARG H H 73 7.794 7.350 0.444 1
1 824 . 4 1 1 A 73 73 ARG CA C 73 52.893 54.416 -1.523 1
1 825 . 4 1 1 A 73 73 ARG HA H 73 4.560 4.308 0.252 1
1 826 . 4 1 1 A 73 73 ARG CB C 73 31.831 32.353 -0.522 1
1 837 . 4 1 1 A 73 73 ARG C C 73 173.057 173.539 -0.482 1
1 838 . 4 1 1 A 74 74 TYR N N 74 117.830 118.901 -1.071 1
1 839 . 4 1 1 A 74 74 TYR H H 74 8.366 8.217 0.149 1
1 840 . 4 1 1 A 74 74 TYR CA C 74 57.987 56.485 1.502 1
1 841 . 4 1 1 A 74 74 TYR HA H 74 5.005 5.296 -0.291 1
1 842 . 4 1 1 A 74 74 TYR CB C 74 40.473 38.977 1.496 1
1 853 . 4 1 1 A 74 74 TYR C C 74 173.530 174.576 -1.046 1
1 854 . 4 1 1 A 75 75 ILE N N 75 120.880 125.215 -4.335 1
1 855 . 4 1 1 A 75 75 ILE H H 75 8.923 8.762 0.161 1
1 856 . 4 1 1 A 75 75 ILE CA C 75 59.632 61.031 -1.399 1
1 857 . 4 1 1 A 75 75 ILE HA H 75 4.398 4.322 0.076 1
1 858 . 4 1 1 A 75 75 ILE CB C 75 37.608 37.942 -0.334 1
1 871 . 4 1 1 A 75 75 ILE C C 75 174.203 175.033 -0.830 1
1 872 . 4 1 1 A 76 76 TYR N N 76 125.586 128.206 -2.620 1
1 873 . 4 1 1 A 76 76 TYR H H 76 9.540 8.983 0.557 1
1 874 . 4 1 1 A 76 76 TYR CA C 76 59.137 56.772 2.365 1
1 875 . 4 1 1 A 76 76 TYR HA H 76 4.630 5.529 -0.899 1
1 876 . 4 1 1 A 76 76 TYR CB C 76 39.909 41.203 -1.294 1
1 887 . 4 1 1 A 76 76 TYR C C 76 174.280 174.707 -0.427 1
1 888 . 4 1 1 A 77 77 TYR N N 77 123.524 121.221 2.303 1
1 889 . 4 1 1 A 77 77 TYR H H 77 9.221 8.902 0.319 1
1 890 . 4 1 1 A 77 77 TYR CA C 77 55.476 56.404 -0.928 1
1 891 . 4 1 1 A 77 77 TYR HA H 77 4.155 5.342 -1.187 1
1 892 . 4 1 1 A 77 77 TYR CB C 77 35.926 40.078 -4.152 1
1 903 . 4 1 1 A 77 77 TYR C C 77 174.236 175.142 -0.906 1
1 904 . 4 1 1 A 78 78 LEU N N 78 123.875 126.196 -2.321 1
1 905 . 4 1 1 A 78 78 LEU H H 78 8.948 9.035 -0.087 1
1 906 . 4 1 1 A 78 78 LEU CA C 78 55.635 55.709 -0.074 1
1 907 . 4 1 1 A 78 78 LEU HA H 78 4.134 4.436 -0.302 1
1 908 . 4 1 1 A 78 78 LEU CB C 78 40.856 41.827 -0.971 1
1 921 . 4 1 1 A 78 78 LEU C C 78 175.294 176.339 -1.045 1
1 922 . 4 1 1 A 79 79 ILE N N 79 127.986 125.539 2.447 1
1 923 . 4 1 1 A 79 79 ILE H H 79 8.322 8.498 -0.176 1
1 924 . 4 1 1 A 79 79 ILE CA C 79 59.349 60.568 -1.219 1
1 925 . 4 1 1 A 79 79 ILE HA H 79 4.372 4.723 -0.351 1
1 926 . 4 1 1 A 79 79 ILE CB C 79 34.277 38.112 -3.835 1
1 939 . 4 1 1 A 79 79 ILE C C 79 176.505 176.278 0.227 1
1 940 . 4 1 1 A 80 80 THR N N 80 113.978 119.041 -5.063 1
1 941 . 4 1 1 A 80 80 THR H H 80 8.276 8.336 -0.060 1
1 942 . 4 1 1 A 80 80 THR CA C 80 61.646 62.433 -0.787 1
1 943 . 4 1 1 A 80 80 THR HA H 80 4.334 4.518 -0.184 1
1 944 . 4 1 1 A 80 80 THR CB C 80 69.165 69.623 -0.458 1
1 950 . 4 1 1 A 80 80 THR C C 80 172.999 174.513 -1.514 1
1 951 . 4 1 1 A 81 81 LYS N N 81 114.856 119.508 -4.652 1
1 952 . 4 1 1 A 81 81 LYS H H 81 7.512 7.532 -0.020 1
1 953 . 4 1 1 A 81 81 LYS CA C 81 54.894 54.123 0.771 1
1 954 . 4 1 1 A 81 81 LYS HA H 81 4.649 4.788 -0.139 1
1 955 . 4 1 1 A 81 81 LYS CB C 81 34.139 33.956 0.183 1
1 964 . 4 1 1 A 81 81 LYS C C 81 175.344 176.436 -1.092 1
1 965 . 4 1 1 A 82 82 LYS N N 82 121.209 117.889 3.320 1
1 966 . 4 1 1 A 82 82 LYS H H 82 9.577 8.920 0.657 1
1 967 . 4 1 1 A 82 82 LYS CA C 82 60.198 57.158 3.040 1
1 968 . 4 1 1 A 82 82 LYS HA H 82 3.884 4.572 -0.688 1
1 969 . 4 1 1 A 82 82 LYS CB C 82 33.603 33.573 0.030 1
1 981 . 4 1 1 A 82 82 LYS C C 82 176.049 176.780 -0.731 1
1 982 . 4 1 1 A 83 83 ARG N N 83 112.456 117.555 -5.099 1
1 983 . 4 1 1 A 83 83 ARG H H 83 6.717 7.401 -0.684 1
1 984 . 4 1 1 A 83 83 ARG CA C 83 52.451 53.761 -1.310 1
1 985 . 4 1 1 A 83 83 ARG HA H 83 4.691 4.760 -0.069 1
1 986 . 4 1 1 A 83 83 ARG CB C 83 32.857 34.386 -1.529 1
1 995 . 4 1 1 A 83 83 ARG C C 83 177.299 176.504 0.795 1
1 996 . 4 1 1 A 84 84 ALA N N 84 124.857 124.507 0.350 1
1 997 . 4 1 1 A 84 84 ALA H H 84 9.290 8.881 0.409 1
1 998 . 4 1 1 A 84 84 ALA CA C 84 56.005 55.244 0.761 1
1 999 . 4 1 1 A 84 84 ALA HA H 84 3.895 3.998 -0.103 1
1 1000 . 4 1 1 A 84 84 ALA CB C 84 19.175 18.261 0.914 1
1 1004 . 4 1 1 A 84 84 ALA C C 84 178.350 179.713 -1.363 1
1 1005 . 4 1 1 A 85 85 SER CA C 85 58.631 61.007 -2.376 1
1 1006 . 4 1 1 A 85 85 SER HA H 85 4.338 4.170 0.168 1
1 1007 . 4 1 1 A 85 85 SER CB C 85 63.277 62.372 0.905 1
1 1010 . 4 1 1 A 85 85 SER C C 85 175.469 174.488 0.981 1
1 1011 . 4 1 1 A 86 86 HIS N N 86 121.978 119.710 2.268 1
1 1012 . 4 1 1 A 86 86 HIS H H 86 7.560 7.882 -0.322 1
1 1013 . 4 1 1 A 86 86 HIS CA C 86 54.468 54.701 -0.233 1
1 1014 . 4 1 1 A 86 86 HIS HA H 86 4.766 4.935 -0.169 1
1 1015 . 4 1 1 A 86 86 HIS CB C 86 33.069 31.621 1.448 1
1 1022 . 4 1 1 A 86 86 HIS C C 86 174.466 175.453 -0.987 1
1 1023 . 4 1 1 A 87 87 LYS N N 87 122.014 122.620 -0.606 1
1 1024 . 4 1 1 A 87 87 LYS H H 87 8.693 8.543 0.150 1
1 1025 . 4 1 1 A 87 87 LYS CA C 87 53.283 53.947 -0.664 1
1 1026 . 4 1 1 A 87 87 LYS HA H 87 4.792 4.580 0.212 1
1 1027 . 4 1 1 A 87 87 LYS CB C 87 32.803 31.911 0.892 1
1 1037 . 4 1 1 A 87 87 LYS C C 87 175.072 174.558 0.514 1
1 1038 . 4 1 1 A 88 88 PRO CA C 88 62.515 62.641 -0.126 1
1 1039 . 4 1 1 A 88 88 PRO HA H 88 4.796 4.714 0.082 1
1 1040 . 4 1 1 A 88 88 PRO CB C 88 32.687 32.722 -0.035 1
1 1049 . 4 1 1 A 88 88 PRO C C 88 175.319 176.587 -1.268 1
1 1050 . 4 1 1 A 89 89 THR N N 89 107.501 112.112 -4.611 1
1 1051 . 4 1 1 A 89 89 THR H H 89 7.933 8.249 -0.316 1
1 1052 . 4 1 1 A 89 89 THR CA C 89 58.518 59.390 -0.872 1
1 1053 . 4 1 1 A 89 89 THR HA H 89 4.758 4.684 0.074 1
1 1054 . 4 1 1 A 89 89 THR CB C 89 70.861 71.625 -0.764 1
1 1060 . 4 1 1 A 89 89 THR C C 89 175.662 174.888 0.774 1
1 1061 . 4 1 1 A 90 90 TYR N N 90 120.845 122.616 -1.771 1
1 1062 . 4 1 1 A 90 90 TYR H H 90 8.751 9.094 -0.343 1
1 1063 . 4 1 1 A 90 90 TYR CA C 90 63.195 61.276 1.919 1
1 1064 . 4 1 1 A 90 90 TYR HA H 90 4.064 4.151 -0.087 1
1 1065 . 4 1 1 A 90 90 TYR CB C 90 37.372 38.133 -0.761 1
1 1076 . 4 1 1 A 90 90 TYR C C 90 178.063 178.105 -0.042 1
1 1077 . 4 1 1 A 91 91 GLU N N 91 118.210 120.461 -2.251 1
1 1078 . 4 1 1 A 91 91 GLU H H 91 8.857 8.301 0.556 1
1 1079 . 4 1 1 A 91 91 GLU CA C 91 60.312 59.937 0.375 1
1 1080 . 4 1 1 A 91 91 GLU HA H 91 4.114 4.016 0.098 1
1 1081 . 4 1 1 A 91 91 GLU CB C 91 29.276 29.138 0.138 1
1 1087 . 4 1 1 A 91 91 GLU C C 91 178.970 179.505 -0.535 1
1 1088 . 4 1 1 A 92 92 ASN N N 92 117.220 118.644 -1.424 1
1 1089 . 4 1 1 A 92 92 ASN H H 92 7.894 7.698 0.196 1
1 1090 . 4 1 1 A 92 92 ASN CA C 92 55.334 56.470 -1.136 1
1 1091 . 4 1 1 A 92 92 ASN HA H 92 4.696 4.513 0.183 1
1 1092 . 4 1 1 A 92 92 ASN CB C 92 37.704 38.059 -0.355 1
1 1098 . 4 1 1 A 92 92 ASN C C 92 178.155 177.844 0.311 1
1 1099 . 4 1 1 A 93 93 LEU N N 93 121.622 121.577 0.045 1
1 1100 . 4 1 1 A 93 93 LEU H H 93 8.038 7.760 0.278 1
1 1101 . 4 1 1 A 93 93 LEU CA C 93 58.495 58.724 -0.229 1
1 1102 . 4 1 1 A 93 93 LEU HA H 93 4.092 3.986 0.106 1
1 1103 . 4 1 1 A 93 93 LEU CB C 93 41.383 42.028 -0.645 1
1 1116 . 4 1 1 A 93 93 LEU C C 93 177.808 178.540 -0.732 1
1 1117 . 4 1 1 A 94 94 GLN N N 94 120.352 118.267 2.085 1
1 1118 . 4 1 1 A 94 94 GLN H H 94 8.792 8.075 0.717 1
1 1119 . 4 1 1 A 94 94 GLN CA C 94 61.099 59.358 1.741 1
1 1120 . 4 1 1 A 94 94 GLN HA H 94 3.721 3.984 -0.263 1
1 1121 . 4 1 1 A 94 94 GLN CB C 94 27.560 28.609 -1.049 1
1 1130 . 4 1 1 A 94 94 GLN C C 94 178.042 178.234 -0.192 1
1 1131 . 4 1 1 A 95 95 LYS N N 95 117.824 118.415 -0.591 1
1 1132 . 4 1 1 A 95 95 LYS H H 95 7.803 7.722 0.081 1
1 1133 . 4 1 1 A 95 95 LYS CA C 95 60.222 59.236 0.986 1
1 1134 . 4 1 1 A 95 95 LYS HA H 95 4.012 4.027 -0.015 1
1 1135 . 4 1 1 A 95 95 LYS CB C 95 33.168 32.084 1.084 1
1 1147 . 4 1 1 A 95 95 LYS C C 95 179.868 179.459 0.409 1
1 1148 . 4 1 1 A 96 96 SER N N 96 118.301 116.895 1.406 1
1 1149 . 4 1 1 A 96 96 SER H H 96 8.251 8.097 0.154 1
1 1150 . 4 1 1 A 96 96 SER CA C 96 63.668 62.468 1.200 1
1 1151 . 4 1 1 A 96 96 SER HA H 96 3.710 4.124 -0.414 1
1 1152 . 4 1 1 A 96 96 SER CB C 96 62.882 62.738 0.144 1
1 1155 . 4 1 1 A 96 96 SER C C 96 176.400 176.327 0.073 1
1 1156 . 4 1 1 A 97 97 LEU N N 97 122.701 121.497 1.204 1
1 1157 . 4 1 1 A 97 97 LEU H H 97 8.467 7.835 0.632 1
1 1158 . 4 1 1 A 97 97 LEU CA C 97 58.323 57.274 1.049 1
1 1159 . 4 1 1 A 97 97 LEU HA H 97 3.861 4.064 -0.203 1
1 1160 . 4 1 1 A 97 97 LEU CB C 97 42.995 41.597 1.398 1
1 1173 . 4 1 1 A 97 97 LEU C C 97 178.941 179.444 -0.503 1
1 1174 . 4 1 1 A 98 98 GLU N N 98 119.918 119.008 0.910 1
1 1175 . 4 1 1 A 98 98 GLU H H 98 8.410 8.271 0.139 1
1 1176 . 4 1 1 A 98 98 GLU CA C 98 59.561 59.390 0.171 1
1 1177 . 4 1 1 A 98 98 GLU HA H 98 3.622 3.917 -0.295 1
1 1178 . 4 1 1 A 98 98 GLU CB C 98 29.142 28.297 0.845 1
1 1184 . 4 1 1 A 98 98 GLU C C 98 179.137 178.173 0.964 1
1 1185 . 4 1 1 A 99 99 ALA N N 99 124.193 122.926 1.267 1
1 1186 . 4 1 1 A 99 99 ALA H H 99 8.197 7.998 0.199 1
1 1187 . 4 1 1 A 99 99 ALA CA C 99 55.016 54.456 0.560 1
1 1188 . 4 1 1 A 99 99 ALA HA H 99 4.247 4.241 0.006 1
1 1189 . 4 1 1 A 99 99 ALA CB C 99 17.815 18.804 -0.989 1
1 1193 . 4 1 1 A 99 99 ALA C C 99 181.133 179.309 1.824 1
1 1194 . 4 1 1 A 100 100 MET N N 100 122.009 118.332 3.677 1
1 1195 . 4 1 1 A 100 100 MET H H 100 8.482 7.792 0.690 1
1 1196 . 4 1 1 A 100 100 MET CA C 100 59.826 58.123 1.703 1
1 1197 . 4 1 1 A 100 100 MET HA H 100 3.714 4.015 -0.301 1
1 1198 . 4 1 1 A 100 100 MET CB C 100 32.944 32.189 0.755 1
1 1208 . 4 1 1 A 100 100 MET C C 100 176.658 177.840 -1.182 1
1 1209 . 4 1 1 A 101 101 LYS N N 101 120.991 118.382 2.609 1
1 1210 . 4 1 1 A 101 101 LYS H H 101 8.721 7.722 0.999 1
1 1211 . 4 1 1 A 101 101 LYS CA C 101 60.563 58.822 1.741 1
1 1212 . 4 1 1 A 101 101 LYS HA H 101 3.614 4.016 -0.402 1
1 1213 . 4 1 1 A 101 101 LYS CB C 101 30.759 32.011 -1.252 1
1 1225 . 4 1 1 A 101 101 LYS C C 101 177.419 178.321 -0.902 1
1 1226 . 4 1 1 A 102 102 SER N N 102 111.833 114.590 -2.757 1
1 1227 . 4 1 1 A 102 102 SER H H 102 8.005 8.017 -0.012 1
1 1228 . 4 1 1 A 102 102 SER CA C 102 61.993 61.556 0.437 1
1 1229 . 4 1 1 A 102 102 SER HA H 102 4.082 4.106 -0.024 1
1 1230 . 4 1 1 A 102 102 SER CB C 102 62.863 63.178 -0.315 1
1 1233 . 4 1 1 A 102 102 SER C C 102 176.601 176.761 -0.160 1
1 1234 . 4 1 1 A 103 103 HIS N N 103 121.793 120.842 0.951 1
1 1235 . 4 1 1 A 103 103 HIS H H 103 7.605 7.919 -0.314 1
1 1236 . 4 1 1 A 103 103 HIS CA C 103 62.090 59.754 2.336 1
1 1237 . 4 1 1 A 103 103 HIS HA H 103 4.000 4.273 -0.273 1
1 1238 . 4 1 1 A 103 103 HIS CB C 103 30.652 30.028 0.624 1
1 1245 . 4 1 1 A 103 103 HIS C C 103 179.129 176.503 2.626 1
1 1246 . 4 1 1 A 104 104 CYS N N 104 119.421 116.558 2.863 1
1 1247 . 4 1 1 A 104 104 CYS H H 104 9.261 7.566 1.695 1
1 1248 . 4 1 1 A 104 104 CYS CA C 104 63.841 63.510 0.331 1
1 1249 . 4 1 1 A 104 104 CYS HA H 104 4.105 4.128 -0.023 1
1 1250 . 4 1 1 A 104 104 CYS CB C 104 27.916 27.270 0.646 1
1 1253 . 4 1 1 A 104 104 CYS C C 104 178.176 177.598 0.578 1
1 1254 . 4 1 1 A 105 105 LEU N N 105 117.129 120.615 -3.486 1
1 1255 . 4 1 1 A 105 105 LEU H H 105 8.331 7.832 0.499 1
1 1256 . 4 1 1 A 105 105 LEU CA C 105 57.262 58.133 -0.871 1
1 1257 . 4 1 1 A 105 105 LEU HA H 105 4.245 3.982 0.263 1
1 1258 . 4 1 1 A 105 105 LEU CB C 105 42.030 41.916 0.114 1
1 1271 . 4 1 1 A 105 105 LEU C C 105 180.635 178.946 1.689 1
1 1272 . 4 1 1 A 106 106 LYS N N 106 118.583 116.862 1.721 1
1 1273 . 4 1 1 A 106 106 LYS H H 106 7.638 8.059 -0.421 1
1 1274 . 4 1 1 A 106 106 LYS CA C 106 58.075 60.292 -2.217 1
1 1275 . 4 1 1 A 106 106 LYS HA H 106 4.140 3.865 0.275 1
1 1276 . 4 1 1 A 106 106 LYS CB C 106 33.191 32.248 0.943 1
1 1288 . 4 1 1 A 106 106 LYS C C 106 177.466 178.924 -1.458 1
1 1289 . 4 1 1 A 107 107 ASN N N 107 113.320 114.850 -1.530 1
1 1290 . 4 1 1 A 107 107 ASN H H 107 7.606 8.010 -0.404 1
1 1291 . 4 1 1 A 107 107 ASN CA C 107 53.813 54.798 -0.985 1
1 1292 . 4 1 1 A 107 107 ASN HA H 107 4.841 4.526 0.315 1
1 1293 . 4 1 1 A 107 107 ASN CB C 107 39.785 38.528 1.257 1
1 1299 . 4 1 1 A 107 107 ASN C C 107 174.443 175.933 -1.490 1
1 1300 . 4 1 1 A 108 108 GLY N N 108 109.386 104.707 4.679 1
1 1301 . 4 1 1 A 108 108 GLY H H 108 7.667 7.837 -0.170 1
1 1302 . 4 1 1 A 108 108 GLY CA C 108 47.252 45.088 2.164 1
1 1303 . 4 1 1 A 108 108 GLY HA2 H 108 4.023 4.083 -0.060 1
1 1304 . 4 1 1 A 108 108 GLY HA3 H 108 4.023 4.093 -0.070 1
1 1305 . 4 1 1 A 108 108 GLY C C 108 174.436 174.473 -0.037 1
1 1306 . 4 1 1 A 109 109 VAL N N 109 122.758 121.120 1.638 1
1 1307 . 4 1 1 A 109 109 VAL H H 109 8.480 8.205 0.275 1
1 1308 . 4 1 1 A 109 109 VAL CA C 109 63.788 61.790 1.998 1
1 1309 . 4 1 1 A 109 109 VAL HA H 109 4.094 4.321 -0.227 1
1 1310 . 4 1 1 A 109 109 VAL CB C 109 32.931 30.641 2.290 1
1 1320 . 4 1 1 A 109 109 VAL C C 109 176.089 176.070 0.019 1
1 1321 . 4 1 1 A 110 110 THR N N 110 115.431 122.921 -7.490 1
1 1322 . 4 1 1 A 110 110 THR H H 110 8.995 8.804 0.191 1
1 1323 . 4 1 1 A 110 110 THR CA C 110 62.045 63.461 -1.416 1
1 1324 . 4 1 1 A 110 110 THR HA H 110 4.515 4.437 0.078 1
1 1325 . 4 1 1 A 110 110 THR CB C 110 70.758 69.561 1.197 1
1 1331 . 4 1 1 A 110 110 THR C C 110 173.700 173.648 0.052 1
1 1332 . 4 1 1 A 111 111 ASP N N 111 123.757 120.462 3.295 1
1 1333 . 4 1 1 A 111 111 ASP H H 111 8.123 7.783 0.340 1
1 1334 . 4 1 1 A 111 111 ASP CA C 111 54.747 53.102 1.645 1
1 1335 . 4 1 1 A 111 111 ASP HA H 111 5.527 5.227 0.300 1
1 1336 . 4 1 1 A 111 111 ASP CB C 111 43.928 44.865 -0.937 1
1 1339 . 4 1 1 A 111 111 ASP C C 111 172.807 174.519 -1.712 1
1 1340 . 4 1 1 A 112 112 LEU N N 112 123.145 123.649 -0.504 1
1 1341 . 4 1 1 A 112 112 LEU H H 112 8.671 8.368 0.303 1
1 1342 . 4 1 1 A 112 112 LEU CA C 112 52.953 53.981 -1.028 1
1 1343 . 4 1 1 A 112 112 LEU HA H 112 5.213 4.954 0.259 1
1 1344 . 4 1 1 A 112 112 LEU CB C 112 47.875 46.470 1.405 1
1 1357 . 4 1 1 A 112 112 LEU C C 112 176.803 174.618 2.185 1
1 1358 . 4 1 1 A 113 113 SER N N 113 122.973 119.330 3.643 1
1 1359 . 4 1 1 A 113 113 SER H H 113 9.473 8.983 0.490 1
1 1360 . 4 1 1 A 113 113 SER CA C 113 59.207 56.346 2.861 1
1 1361 . 4 1 1 A 113 113 SER HA H 113 6.070 5.643 0.427 1
1 1362 . 4 1 1 A 113 113 SER CB C 113 67.023 65.749 1.274 1
1 1365 . 4 1 1 A 113 113 SER C C 113 172.066 173.455 -1.389 1
1 1366 . 4 1 1 A 114 114 MET N N 114 118.476 120.284 -1.808 1
1 1367 . 4 1 1 A 114 114 MET H H 114 9.080 8.924 0.156 1
1 1368 . 4 1 1 A 114 114 MET CA C 114 54.007 53.352 0.655 1
1 1369 . 4 1 1 A 114 114 MET HA H 114 5.435 5.109 0.326 1
1 1370 . 4 1 1 A 114 114 MET CB C 114 34.867 35.693 -0.826 1
1 1380 . 4 1 1 A 114 114 MET C C 114 172.934 174.280 -1.346 1
1 1381 . 4 1 1 A 115 115 PRO CA C 115 62.262 62.268 -0.006 1
1 1382 . 4 1 1 A 115 115 PRO HA H 115 5.593 4.653 0.940 1
1 1383 . 4 1 1 A 115 115 PRO CB C 115 32.748 33.246 -0.498 1
1 1392 . 4 1 1 A 115 115 PRO C C 115 175.547 176.196 -0.649 1
1 1393 . 4 1 1 A 116 116 ARG N N 116 116.821 120.629 -3.808 1
1 1394 . 4 1 1 A 116 116 ARG H H 116 8.348 8.464 -0.116 1
1 1395 . 4 1 1 A 116 116 ARG CA C 116 55.785 56.334 -0.549 1
1 1396 . 4 1 1 A 116 116 ARG HA H 116 3.896 4.074 -0.178 1
1 1397 . 4 1 1 A 116 116 ARG CB C 116 27.344 30.523 -3.179 1
1 1406 . 4 1 1 A 116 116 ARG C C 116 176.796 176.124 0.672 1
1 1407 . 4 1 1 A 117 117 ILE N N 117 122.887 119.911 2.976 1
1 1408 . 4 1 1 A 117 117 ILE H H 117 7.989 8.713 -0.724 1
1 1409 . 4 1 1 A 117 117 ILE CA C 117 63.148 58.955 4.193 1
1 1410 . 4 1 1 A 117 117 ILE HA H 117 4.028 4.886 -0.858 1
1 1411 . 4 1 1 A 117 117 ILE CB C 117 40.010 40.764 -0.754 1
1 1424 . 4 1 1 A 117 117 ILE C C 117 174.324 175.685 -1.361 1
1 1425 . 4 1 1 A 118 118 GLY N N 118 107.320 112.166 -4.846 1
1 1426 . 4 1 1 A 118 118 GLY H H 118 8.662 8.787 -0.125 1
1 1427 . 4 1 1 A 118 118 GLY CA C 118 45.752 45.783 -0.031 1
1 1428 . 4 1 1 A 118 118 GLY HA2 H 118 3.693 4.107 -0.414 1
1 1429 . 4 1 1 A 118 118 GLY HA3 H 118 4.226 4.167 0.059 1
1 1430 . 4 1 1 A 118 118 GLY C C 118 172.861 175.009 -2.148 1
1 1431 . 4 1 1 A 119 119 CYS N N 119 115.336 119.187 -3.851 1
1 1432 . 4 1 1 A 119 119 CYS H H 119 7.445 8.026 -0.581 1
1 1433 . 4 1 1 A 119 119 CYS CA C 119 58.753 60.469 -1.716 1
1 1434 . 4 1 1 A 119 119 CYS HA H 119 4.831 4.351 0.480 1
1 1435 . 4 1 1 A 119 119 CYS CB C 119 28.840 27.364 1.476 1
1 1438 . 4 1 1 A 121 121 LEU CA C 121 57.692 58.571 -0.879 1
1 1439 . 4 1 1 A 121 121 LEU HA H 121 4.152 3.989 0.163 1
1 1440 . 4 1 1 A 121 121 LEU CB C 121 41.644 42.197 -0.553 1
1 1453 . 4 1 1 A 123 123 ARG N N 123 107.909 117.457 -9.548 1
1 1454 . 4 1 1 A 123 123 ARG H H 123 7.536 8.118 -0.582 1
1 1455 . 4 1 1 A 123 123 ARG CA C 123 57.775 58.524 -0.749 1
1 1456 . 4 1 1 A 123 123 ARG HA H 123 3.989 4.257 -0.268 1
1 1457 . 4 1 1 A 123 123 ARG CB C 123 28.219 30.697 -2.478 1
1 1466 . 4 1 1 A 123 123 ARG C C 123 176.088 176.442 -0.354 1
1 1467 . 4 1 1 A 124 124 LEU N N 124 118.876 119.160 -0.284 1
1 1468 . 4 1 1 A 124 124 LEU H H 124 8.401 8.016 0.385 1
1 1469 . 4 1 1 A 124 124 LEU CA C 124 54.573 53.196 1.377 1
1 1470 . 4 1 1 A 124 124 LEU HA H 124 4.533 5.119 -0.586 1
1 1471 . 4 1 1 A 124 124 LEU CB C 124 39.785 45.471 -5.686 1
1 1484 . 4 1 1 A 124 124 LEU C C 124 175.551 175.672 -0.121 1
1 1485 . 4 1 1 A 125 125 GLN N N 125 116.713 120.534 -3.821 1
1 1486 . 4 1 1 A 125 125 GLN H H 125 7.779 8.851 -1.072 1
1 1487 . 4 1 1 A 125 125 GLN CA C 125 54.609 54.204 0.405 1
1 1488 . 4 1 1 A 125 125 GLN HA H 125 4.794 5.132 -0.338 1
1 1489 . 4 1 1 A 125 125 GLN CB C 125 30.327 31.068 -0.741 1
1 1498 . 4 1 1 A 125 125 GLN C C 125 177.722 176.002 1.720 1
1 1499 . 4 1 1 A 126 126 TRP N N 126 128.887 126.689 2.198 1
1 1500 . 4 1 1 A 126 126 TRP H H 126 9.755 9.188 0.567 1
1 1501 . 4 1 1 A 126 126 TRP CA C 126 59.962 61.233 -1.271 1
1 1502 . 4 1 1 A 126 126 TRP HA H 126 4.545 4.303 0.242 1
1 1503 . 4 1 1 A 126 126 TRP CB C 126 30.009 30.379 -0.370 1
1 1518 . 4 1 1 A 126 126 TRP C C 126 177.057 178.127 -1.070 1
1 1519 . 4 1 1 A 127 127 GLU N N 127 119.568 118.556 1.012 1
1 1520 . 4 1 1 A 127 127 GLU H H 127 9.946 8.449 1.497 1
1 1521 . 4 1 1 A 127 127 GLU CA C 127 60.623 59.826 0.797 1
1 1522 . 4 1 1 A 127 127 GLU HA H 127 3.780 3.859 -0.079 1
1 1523 . 4 1 1 A 127 127 GLU CB C 127 28.594 29.159 -0.565 1
1 1529 . 4 1 1 A 127 127 GLU C C 127 177.905 179.123 -1.218 1
1 1530 . 4 1 1 A 128 128 ASN N N 128 115.229 118.563 -3.334 1
1 1531 . 4 1 1 A 128 128 ASN H H 128 7.159 8.204 -1.045 1
1 1532 . 4 1 1 A 128 128 ASN CA C 128 55.370 56.075 -0.705 1
1 1533 . 4 1 1 A 128 128 ASN HA H 128 4.446 4.337 0.109 1
1 1534 . 4 1 1 A 128 128 ASN CB C 128 38.522 38.067 0.455 1
1 1540 . 4 1 1 A 128 128 ASN C C 128 177.374 177.810 -0.436 1
1 1541 . 4 1 1 A 129 129 VAL N N 129 122.487 120.039 2.448 1
1 1542 . 4 1 1 A 129 129 VAL H H 129 8.033 7.649 0.384 1
1 1543 . 4 1 1 A 129 129 VAL CA C 129 67.289 66.851 0.438 1
1 1544 . 4 1 1 A 129 129 VAL HA H 129 3.489 3.569 -0.080 1
1 1545 . 4 1 1 A 129 129 VAL CB C 129 31.824 31.511 0.313 1
1 1555 . 4 1 1 A 129 129 VAL C C 129 177.209 177.451 -0.242 1
1 1556 . 4 1 1 A 130 130 SER N N 130 115.189 113.675 1.514 1
1 1557 . 4 1 1 A 130 130 SER H H 130 8.550 8.221 0.329 1
1 1558 . 4 1 1 A 130 130 SER CA C 130 61.477 60.797 0.680 1
1 1559 . 4 1 1 A 130 130 SER HA H 130 3.151 3.578 -0.427 1
1 1560 . 4 1 1 A 130 130 SER CB C 130 61.348 62.029 -0.681 1
1 1563 . 4 1 1 A 130 130 SER C C 130 175.971 176.546 -0.575 1
1 1564 . 4 1 1 A 131 131 ALA N N 131 123.596 123.959 -0.363 1
1 1565 . 4 1 1 A 131 131 ALA H H 131 6.551 7.208 -0.657 1
1 1566 . 4 1 1 A 131 131 ALA CA C 131 54.947 55.099 -0.152 1
1 1567 . 4 1 1 A 131 131 ALA HA H 131 4.079 3.923 0.156 1
1 1568 . 4 1 1 A 131 131 ALA CB C 131 18.023 18.307 -0.284 1
1 1572 . 4 1 1 A 131 131 ALA C C 131 179.947 179.913 0.034 1
1 1573 . 4 1 1 A 132 132 MET N N 132 119.410 116.587 2.823 1
1 1574 . 4 1 1 A 132 132 MET H H 132 7.442 7.960 -0.518 1
1 1575 . 4 1 1 A 132 132 MET CA C 132 58.917 58.402 0.515 1
1 1576 . 4 1 1 A 132 132 MET HA H 132 4.118 4.400 -0.282 1
1 1577 . 4 1 1 A 132 132 MET CB C 132 33.984 32.520 1.464 1
1 1587 . 4 1 1 A 132 132 MET C C 132 178.019 179.085 -1.066 1
1 1588 . 4 1 1 A 133 133 ILE N N 133 120.265 119.569 0.696 1
1 1589 . 4 1 1 A 133 133 ILE H H 133 8.554 7.770 0.784 1
1 1590 . 4 1 1 A 133 133 ILE CA C 133 66.859 65.143 1.716 1
1 1591 . 4 1 1 A 133 133 ILE HA H 133 3.470 3.836 -0.366 1
1 1592 . 4 1 1 A 133 133 ILE CB C 133 38.240 36.696 1.544 1
1 1605 . 4 1 1 A 133 133 ILE C C 133 177.949 178.301 -0.352 1
1 1606 . 4 1 1 A 134 134 GLU N N 134 117.011 120.966 -3.955 1
1 1607 . 4 1 1 A 134 134 GLU H H 134 8.106 8.561 -0.455 1
1 1608 . 4 1 1 A 134 134 GLU CA C 134 59.844 59.617 0.227 1
1 1609 . 4 1 1 A 134 134 GLU HA H 134 3.919 4.017 -0.098 1
1 1610 . 4 1 1 A 134 134 GLU CB C 134 29.024 29.513 -0.489 1
1 1616 . 4 1 1 A 134 134 GLU C C 134 178.982 179.334 -0.352 1
1 1617 . 4 1 1 A 135 135 GLU N N 135 118.619 119.211 -0.592 1
1 1618 . 4 1 1 A 135 135 GLU H H 135 7.848 8.373 -0.525 1
1 1619 . 4 1 1 A 135 135 GLU CA C 135 59.438 59.323 0.115 1
1 1620 . 4 1 1 A 135 135 GLU HA H 135 4.090 4.071 0.019 1
1 1621 . 4 1 1 A 135 135 GLU CB C 135 29.948 29.156 0.792 1
1 1627 . 4 1 1 A 135 135 GLU C C 135 179.547 179.030 0.517 1
1 1628 . 4 1 1 A 136 136 VAL N N 136 119.915 121.387 -1.472 1
1 1629 . 4 1 1 A 136 136 VAL H H 136 8.793 8.008 0.785 1
1 1630 . 4 1 1 A 136 136 VAL CA C 136 66.122 66.347 -0.225 1
1 1631 . 4 1 1 A 136 136 VAL HA H 136 3.578 3.541 0.037 1
1 1632 . 4 1 1 A 136 136 VAL CB C 136 31.990 31.779 0.211 1
1 1642 . 4 1 1 A 136 136 VAL C C 136 177.646 177.476 0.170 1
1 1643 . 4 1 1 A 137 137 PHE N N 137 111.913 117.461 -5.548 1
1 1644 . 4 1 1 A 137 137 PHE H H 137 8.009 7.882 0.127 1
1 1645 . 4 1 1 A 137 137 PHE CA C 137 59.545 59.795 -0.250 1
1 1646 . 4 1 1 A 137 137 PHE HA H 137 4.197 4.431 -0.234 1
1 1647 . 4 1 1 A 137 137 PHE CB C 137 38.105 38.231 -0.126 1
1 1660 . 4 1 1 A 138 138 GLU N N 138 123.997 118.997 5.000 1
1 1661 . 4 1 1 A 138 138 GLU H H 138 7.268 8.135 -0.867 1
1 1662 . 4 1 1 A 138 138 GLU CA C 138 59.222 58.876 0.346 1
1 1663 . 4 1 1 A 138 138 GLU HA H 138 4.161 4.165 -0.004 1
1 1664 . 4 1 1 A 138 138 GLU CB C 138 29.644 28.874 0.770 1
1 1670 . 4 1 1 A 139 139 ALA N N 139 121.713 121.229 0.484 1
1 1671 . 4 1 1 A 139 139 ALA H H 139 8.830 7.782 1.048 1
1 1672 . 4 1 1 A 139 139 ALA CA C 139 52.894 51.017 1.877 1
1 1673 . 4 1 1 A 139 139 ALA HA H 139 4.334 4.476 -0.142 1
1 1674 . 4 1 1 A 139 139 ALA CB C 139 17.362 19.000 -1.638 1
1 1678 . 4 1 1 A 139 139 ALA C C 139 176.943 176.074 0.869 1
1 1679 . 4 1 1 A 140 140 THR N N 140 107.901 108.658 -0.757 1
1 1680 . 4 1 1 A 140 140 THR H H 140 7.809 7.654 0.155 1
1 1681 . 4 1 1 A 140 140 THR CA C 140 61.013 60.320 0.693 1
1 1682 . 4 1 1 A 140 140 THR HA H 140 4.164 4.883 -0.719 1
1 1683 . 4 1 1 A 140 140 THR CB C 140 72.698 72.696 0.002 1
1 1689 . 4 1 1 A 140 140 THR C C 140 174.222 173.467 0.755 1
1 1690 . 4 1 1 A 141 141 ASP N N 141 120.212 117.632 2.580 1
1 1691 . 4 1 1 A 141 141 ASP H H 141 8.959 8.610 0.349 1
1 1692 . 4 1 1 A 141 141 ASP CA C 141 53.333 53.676 -0.343 1
1 1693 . 4 1 1 A 141 141 ASP HA H 141 4.991 5.014 -0.023 1
1 1694 . 4 1 1 A 141 141 ASP CB C 141 40.660 41.274 -0.614 1
1 1697 . 4 1 1 A 141 141 ASP C C 141 175.403 174.369 1.034 1
1 1698 . 4 1 1 A 142 142 ILE N N 142 120.815 121.733 -0.918 1
1 1699 . 4 1 1 A 142 142 ILE H H 142 7.444 7.613 -0.169 1
1 1700 . 4 1 1 A 142 142 ILE CA C 142 62.338 60.420 1.918 1
1 1701 . 4 1 1 A 142 142 ILE HA H 142 4.131 4.534 -0.403 1
1 1702 . 4 1 1 A 142 142 ILE CB C 142 38.703 39.631 -0.928 1
1 1715 . 4 1 1 A 142 142 ILE C C 142 175.399 174.488 0.911 1
1 1716 . 4 1 1 A 143 143 LYS N N 143 129.106 126.972 2.134 1
1 1717 . 4 1 1 A 143 143 LYS H H 143 8.588 8.770 -0.182 1
1 1718 . 4 1 1 A 143 143 LYS CA C 143 55.725 55.473 0.252 1
1 1719 . 4 1 1 A 143 143 LYS HA H 143 4.444 4.761 -0.317 1
1 1720 . 4 1 1 A 143 143 LYS CB C 143 33.768 33.642 0.126 1
1 1732 . 4 1 1 A 143 143 LYS C C 143 174.820 175.120 -0.300 1
1 1733 . 4 1 1 A 144 144 ILE N N 144 122.496 124.841 -2.345 1
1 1734 . 4 1 1 A 144 144 ILE H H 144 7.884 8.984 -1.100 1
1 1735 . 4 1 1 A 144 144 ILE CA C 144 59.861 59.998 -0.137 1
1 1736 . 4 1 1 A 144 144 ILE HA H 144 4.937 4.941 -0.004 1
1 1737 . 4 1 1 A 144 144 ILE CB C 144 40.518 39.811 0.707 1
1 1750 . 4 1 1 A 144 144 ILE C C 144 175.232 175.064 0.168 1
1 1751 . 4 1 1 A 145 145 THR N N 145 126.667 123.085 3.582 1
1 1752 . 4 1 1 A 145 145 THR H H 145 9.100 8.764 0.336 1
1 1753 . 4 1 1 A 145 145 THR CA C 145 61.374 61.626 -0.252 1
1 1754 . 4 1 1 A 145 145 THR HA H 145 4.992 5.004 -0.012 1
1 1755 . 4 1 1 A 145 145 THR CB C 145 68.907 70.493 -1.586 1
1 1761 . 4 1 1 A 145 145 THR C C 145 173.158 173.470 -0.312 1
1 1762 . 4 1 1 A 146 146 VAL N N 146 127.717 127.176 0.541 1
1 1763 . 4 1 1 A 146 146 VAL H H 146 8.818 9.085 -0.267 1
1 1764 . 4 1 1 A 146 146 VAL CA C 146 59.930 61.211 -1.281 1
1 1765 . 4 1 1 A 146 146 VAL HA H 146 5.053 4.750 0.303 1
1 1766 . 4 1 1 A 146 146 VAL CB C 146 32.906 32.982 -0.076 1
1 1776 . 4 1 1 A 146 146 VAL C C 146 175.653 174.816 0.837 1
1 1777 . 4 1 1 A 147 147 TYR N N 147 129.304 126.901 2.403 1
1 1778 . 4 1 1 A 147 147 TYR H H 147 8.926 9.115 -0.189 1
1 1779 . 4 1 1 A 147 147 TYR CA C 147 57.290 57.146 0.144 1
1 1780 . 4 1 1 A 147 147 TYR HA H 147 5.283 5.172 0.111 1
1 1781 . 4 1 1 A 147 147 TYR CB C 147 40.422 40.160 0.262 1
1 1792 . 4 1 1 A 147 147 TYR C C 147 177.250 175.443 1.807 1
1 1793 . 4 1 1 A 148 148 THR N N 148 116.883 114.129 2.754 1
1 1794 . 4 1 1 A 148 148 THR H H 148 8.607 8.876 -0.269 1
1 1795 . 4 1 1 A 148 148 THR CA C 148 61.560 60.564 0.996 1
1 1796 . 4 1 1 A 148 148 THR HA H 148 4.431 5.088 -0.657 1
1 1797 . 4 1 1 A 148 148 THR CB C 148 70.966 71.174 -0.208 1
1 1803 . 4 1 1 A 148 148 THR C C 148 172.797 173.745 -0.948 1
1 1 . 5 1 1 A 5 5 SER CA C 5 58.376 59.160 -0.784 1
1 2 . 5 1 1 A 5 5 SER HA H 5 4.528 4.037 0.491 1
1 3 . 5 1 1 A 5 5 SER CB C 5 63.813 61.732 2.081 1
1 5 . 5 1 1 A 5 5 SER C C 5 174.968 173.065 1.903 1
1 6 . 5 1 1 A 6 6 SER N N 6 117.996 115.419 2.577 1
1 7 . 5 1 1 A 6 6 SER H H 6 8.503 7.658 0.845 1
1 8 . 5 1 1 A 6 6 SER CA C 6 58.642 57.347 1.295 1
1 9 . 5 1 1 A 6 6 SER HA H 6 4.526 4.882 -0.356 1
1 10 . 5 1 1 A 6 6 SER CB C 6 63.855 64.835 -0.980 1
1 13 . 5 1 1 A 6 6 SER C C 6 175.129 174.464 0.665 1
1 14 . 5 1 1 A 7 7 GLY N N 7 110.904 113.727 -2.823 1
1 15 . 5 1 1 A 7 7 GLY H H 7 8.470 8.658 -0.188 1
1 16 . 5 1 1 A 7 7 GLY CA C 7 45.430 44.496 0.934 1
1 17 . 5 1 1 A 7 7 GLY HA2 H 7 4.030 4.067 -0.037 1
1 18 . 5 1 1 A 7 7 GLY HA3 H 7 4.030 4.070 -0.040 1
1 19 . 5 1 1 A 7 7 GLY C C 7 174.606 173.758 0.848 1
1 20 . 5 1 1 A 8 8 GLY N N 8 108.942 108.993 -0.051 1
1 21 . 5 1 1 A 8 8 GLY H H 8 8.286 8.383 -0.097 1
1 22 . 5 1 1 A 8 8 GLY CA C 8 45.058 44.061 0.997 1
1 23 . 5 1 1 A 8 8 GLY HA2 H 8 4.027 4.195 -0.168 1
1 24 . 5 1 1 A 8 8 GLY HA3 H 8 4.199 4.202 -0.003 1
1 25 . 5 1 1 A 8 8 GLY C C 8 173.943 173.179 0.764 1
1 26 . 5 1 1 A 9 9 SER N N 9 115.435 118.637 -3.202 1
1 27 . 5 1 1 A 9 9 SER H H 9 8.275 8.405 -0.130 1
1 28 . 5 1 1 A 9 9 SER CA C 9 57.847 59.035 -1.188 1
1 29 . 5 1 1 A 9 9 SER HA H 9 4.616 4.512 0.104 1
1 30 . 5 1 1 A 9 9 SER CB C 9 64.102 63.429 0.673 1
1 33 . 5 1 1 A 9 9 SER C C 9 174.962 175.335 -0.373 1
1 34 . 5 1 1 A 10 10 ARG N N 10 126.156 124.548 1.608 1
1 35 . 5 1 1 A 10 10 ARG H H 10 9.427 8.731 0.696 1
1 36 . 5 1 1 A 10 10 ARG CA C 10 56.662 59.615 -2.953 1
1 37 . 5 1 1 A 10 10 ARG HA H 10 4.332 3.926 0.406 1
1 38 . 5 1 1 A 10 10 ARG CB C 10 30.289 30.211 0.078 1
1 49 . 5 1 1 A 10 10 ARG C C 10 175.504 177.162 -1.658 1
1 50 . 5 1 1 A 11 11 ILE N N 11 119.127 119.813 -0.686 1
1 51 . 5 1 1 A 11 11 ILE H H 11 8.176 7.841 0.335 1
1 52 . 5 1 1 A 11 11 ILE CA C 11 61.153 62.059 -0.906 1
1 53 . 5 1 1 A 11 11 ILE HA H 11 4.553 3.868 0.685 1
1 54 . 5 1 1 A 11 11 ILE CB C 11 39.949 37.401 2.548 1
1 67 . 5 1 1 A 11 11 ILE C C 11 176.134 175.271 0.863 1
1 68 . 5 1 1 A 12 12 THR N N 12 124.682 123.878 0.804 1
1 69 . 5 1 1 A 12 12 THR H H 12 8.534 8.732 -0.198 1
1 70 . 5 1 1 A 12 12 THR CA C 12 61.630 61.134 0.496 1
1 71 . 5 1 1 A 12 12 THR HA H 12 4.359 4.699 -0.340 1
1 72 . 5 1 1 A 12 12 THR CB C 12 70.705 70.792 -0.087 1
1 78 . 5 1 1 A 12 12 THR C C 12 171.804 173.155 -1.351 1
1 79 . 5 1 1 A 13 13 TYR N N 13 124.043 126.060 -2.017 1
1 80 . 5 1 1 A 13 13 TYR H H 13 8.691 8.814 -0.123 1
1 81 . 5 1 1 A 13 13 TYR CA C 13 57.846 56.981 0.865 1
1 82 . 5 1 1 A 13 13 TYR HA H 13 5.099 5.490 -0.391 1
1 83 . 5 1 1 A 13 13 TYR CB C 13 39.895 39.934 -0.039 1
1 94 . 5 1 1 A 13 13 TYR C C 13 175.924 174.684 1.240 1
1 95 . 5 1 1 A 14 14 VAL N N 14 124.012 123.230 0.782 1
1 96 . 5 1 1 A 14 14 VAL H H 14 8.633 9.163 -0.530 1
1 97 . 5 1 1 A 14 14 VAL CA C 14 60.958 60.278 0.680 1
1 98 . 5 1 1 A 14 14 VAL HA H 14 4.015 4.797 -0.782 1
1 99 . 5 1 1 A 14 14 VAL CB C 14 35.416 35.130 0.286 1
1 109 . 5 1 1 A 14 14 VAL C C 14 173.974 173.821 0.153 1
1 110 . 5 1 1 A 15 15 LYS N N 15 127.960 126.481 1.479 1
1 111 . 5 1 1 A 15 15 LYS H H 15 8.318 8.863 -0.545 1
1 112 . 5 1 1 A 15 15 LYS CA C 15 54.152 55.066 -0.914 1
1 113 . 5 1 1 A 15 15 LYS HA H 15 5.126 5.167 -0.041 1
1 114 . 5 1 1 A 15 15 LYS CB C 15 32.086 34.231 -2.145 1
1 126 . 5 1 1 A 15 15 LYS C C 15 176.050 175.270 0.780 1
1 127 . 5 1 1 A 16 16 GLY N N 16 114.545 112.793 1.752 1
1 128 . 5 1 1 A 16 16 GLY H H 16 8.508 8.377 0.131 1
1 129 . 5 1 1 A 16 16 GLY CA C 16 45.006 44.177 0.829 1
1 130 . 5 1 1 A 16 16 GLY HA2 H 16 4.028 4.140 -0.112 1
1 131 . 5 1 1 A 16 16 GLY HA3 H 16 4.197 4.172 0.025 1
1 132 . 5 1 1 A 16 16 GLY C C 16 170.957 172.528 -1.571 1
1 133 . 5 1 1 A 17 17 ASP N N 17 119.423 121.139 -1.716 1
1 134 . 5 1 1 A 17 17 ASP H H 17 8.271 8.479 -0.208 1
1 135 . 5 1 1 A 17 17 ASP CA C 17 53.164 55.150 -1.986 1
1 136 . 5 1 1 A 17 17 ASP HA H 17 4.407 4.351 0.056 1
1 137 . 5 1 1 A 17 17 ASP CB C 17 41.912 41.750 0.162 1
1 140 . 5 1 1 A 17 17 ASP C C 17 176.089 176.043 0.046 1
1 141 . 5 1 1 A 18 18 LEU N N 18 130.056 123.903 6.153 1
1 142 . 5 1 1 A 18 18 LEU H H 18 8.304 8.584 -0.280 1
1 143 . 5 1 1 A 18 18 LEU CA C 18 57.156 55.487 1.669 1
1 144 . 5 1 1 A 18 18 LEU HA H 18 2.425 3.840 -1.415 1
1 145 . 5 1 1 A 18 18 LEU CB C 18 42.959 43.915 -0.956 1
1 158 . 5 1 1 A 18 18 LEU C C 18 175.737 178.031 -2.294 1
1 159 . 5 1 1 A 19 19 PHE N N 19 109.678 116.854 -7.176 1
1 160 . 5 1 1 A 19 19 PHE H H 19 7.461 7.426 0.035 1
1 161 . 5 1 1 A 19 19 PHE CA C 19 59.844 59.302 0.542 1
1 162 . 5 1 1 A 19 19 PHE HA H 19 3.920 4.427 -0.507 1
1 163 . 5 1 1 A 19 19 PHE CB C 19 36.735 40.558 -3.823 1
1 176 . 5 1 1 A 19 19 PHE C C 19 175.833 177.360 -1.527 1
1 177 . 5 1 1 A 20 20 ALA N N 20 123.506 121.919 1.587 1
1 178 . 5 1 1 A 20 20 ALA H H 20 7.752 7.976 -0.224 1
1 179 . 5 1 1 A 20 20 ALA CA C 20 51.160 54.343 -3.183 1
1 180 . 5 1 1 A 20 20 ALA HA H 20 4.518 4.203 0.315 1
1 181 . 5 1 1 A 20 20 ALA CB C 20 18.395 18.707 -0.312 1
1 185 . 5 1 1 A 20 20 ALA C C 20 176.772 179.505 -2.733 1
1 186 . 5 1 1 A 21 21 CYS N N 21 118.823 117.013 1.810 1
1 187 . 5 1 1 A 21 21 CYS H H 21 7.225 8.151 -0.926 1
1 188 . 5 1 1 A 21 21 CYS CA C 21 56.813 63.549 -6.736 1
1 189 . 5 1 1 A 21 21 CYS HA H 21 4.580 4.117 0.463 1
1 190 . 5 1 1 A 21 21 CYS CB C 21 25.916 26.938 -1.022 1
1 193 . 5 1 1 A 21 21 CYS C C 21 170.919 175.226 -4.307 1
1 194 . 5 1 1 A 22 22 PRO CA C 22 64.000 62.644 1.356 1
1 195 . 5 1 1 A 22 22 PRO HA H 22 4.373 4.485 -0.112 1
1 196 . 5 1 1 A 22 22 PRO CB C 22 31.802 33.309 -1.507 1
1 205 . 5 1 1 A 22 22 PRO C C 22 178.609 176.548 2.061 1
1 206 . 5 1 1 A 23 23 LYS N N 23 122.870 119.932 2.938 1
1 207 . 5 1 1 A 23 23 LYS H H 23 8.785 8.938 -0.153 1
1 208 . 5 1 1 A 23 23 LYS CA C 23 58.671 56.969 1.702 1
1 209 . 5 1 1 A 23 23 LYS HA H 23 4.103 4.559 -0.456 1
1 210 . 5 1 1 A 23 23 LYS CB C 23 32.078 35.206 -3.128 1
1 222 . 5 1 1 A 23 23 LYS C C 23 175.722 178.042 -2.320 1
1 223 . 5 1 1 A 24 24 THR N N 24 102.744 105.558 -2.814 1
1 224 . 5 1 1 A 24 24 THR H H 24 7.097 7.503 -0.406 1
1 225 . 5 1 1 A 24 24 THR CA C 24 61.064 61.612 -0.548 1
1 226 . 5 1 1 A 24 24 THR HA H 24 4.166 4.572 -0.406 1
1 227 . 5 1 1 A 24 24 THR CB C 24 68.805 70.632 -1.827 1
1 233 . 5 1 1 A 24 24 THR C C 24 176.216 174.558 1.658 1
1 234 . 5 1 1 A 25 25 ASP N N 25 125.303 124.689 0.614 1
1 235 . 5 1 1 A 25 25 ASP H H 25 7.768 7.685 0.083 1
1 236 . 5 1 1 A 25 25 ASP CA C 25 55.246 55.205 0.041 1
1 237 . 5 1 1 A 25 25 ASP HA H 25 4.536 4.521 0.015 1
1 238 . 5 1 1 A 25 25 ASP CB C 25 40.321 41.179 -0.858 1
1 241 . 5 1 1 A 25 25 ASP C C 25 177.718 175.815 1.903 1
1 242 . 5 1 1 A 26 26 SER N N 26 118.303 118.517 -0.214 1
1 243 . 5 1 1 A 26 26 SER H H 26 8.472 8.173 0.299 1
1 244 . 5 1 1 A 26 26 SER CA C 26 61.547 58.466 3.081 1
1 245 . 5 1 1 A 26 26 SER HA H 26 5.138 4.561 0.577 1
1 246 . 5 1 1 A 26 26 SER CB C 26 65.326 64.441 0.885 1
1 249 . 5 1 1 A 26 26 SER C C 26 172.446 173.686 -1.240 1
1 250 . 5 1 1 A 27 27 LEU N N 27 121.957 121.971 -0.014 1
1 251 . 5 1 1 A 27 27 LEU H H 27 8.553 8.088 0.465 1
1 252 . 5 1 1 A 27 27 LEU CA C 27 53.919 53.398 0.521 1
1 253 . 5 1 1 A 27 27 LEU HA H 27 6.004 5.742 0.262 1
1 254 . 5 1 1 A 27 27 LEU CB C 27 48.728 45.674 3.054 1
1 267 . 5 1 1 A 27 27 LEU C C 27 176.071 176.289 -0.218 1
1 268 . 5 1 1 A 28 28 ALA N N 28 119.120 122.615 -3.495 1
1 269 . 5 1 1 A 28 28 ALA H H 28 8.083 8.397 -0.314 1
1 270 . 5 1 1 A 28 28 ALA CA C 28 50.738 51.664 -0.926 1
1 271 . 5 1 1 A 28 28 ALA HA H 28 5.833 5.458 0.375 1
1 272 . 5 1 1 A 28 28 ALA CB C 28 24.493 21.183 3.310 1
1 276 . 5 1 1 A 28 28 ALA C C 28 174.396 175.730 -1.334 1
1 277 . 5 1 1 A 29 29 HIS N N 29 111.296 123.713 -12.417 1
1 278 . 5 1 1 A 29 29 HIS H H 29 8.042 8.585 -0.543 1
1 279 . 5 1 1 A 29 29 HIS CA C 29 55.617 54.361 1.256 1
1 280 . 5 1 1 A 29 29 HIS HA H 29 4.552 5.200 -0.648 1
1 281 . 5 1 1 A 29 29 HIS CB C 29 31.644 32.815 -1.171 1
1 288 . 5 1 1 A 29 29 HIS C C 29 172.453 173.253 -0.800 1
1 289 . 5 1 1 A 30 30 CYS N N 30 115.842 121.628 -5.786 1
1 290 . 5 1 1 A 30 30 CYS H H 30 8.182 7.766 0.416 1
1 291 . 5 1 1 A 30 30 CYS CA C 30 57.610 56.928 0.682 1
1 292 . 5 1 1 A 30 30 CYS HA H 30 5.489 5.468 0.021 1
1 293 . 5 1 1 A 30 30 CYS CB C 30 30.518 29.007 1.511 1
1 296 . 5 1 1 A 30 30 CYS C C 30 175.085 174.177 0.908 1
1 297 . 5 1 1 A 31 31 ILE N N 31 117.447 120.324 -2.877 1
1 298 . 5 1 1 A 31 31 ILE H H 31 9.209 8.919 0.290 1
1 299 . 5 1 1 A 31 31 ILE CA C 31 60.057 58.822 1.235 1
1 300 . 5 1 1 A 31 31 ILE HA H 31 4.816 5.173 -0.357 1
1 301 . 5 1 1 A 31 31 ILE CB C 31 43.206 42.611 0.595 1
1 314 . 5 1 1 A 31 31 ILE C C 31 173.249 174.786 -1.537 1
1 315 . 5 1 1 A 32 32 SER N N 32 111.596 116.516 -4.920 1
1 316 . 5 1 1 A 32 32 SER H H 32 7.858 8.493 -0.635 1
1 317 . 5 1 1 A 32 32 SER CA C 32 55.599 56.551 -0.952 1
1 318 . 5 1 1 A 32 32 SER HA H 32 5.139 4.967 0.172 1
1 319 . 5 1 1 A 32 32 SER CB C 32 66.377 66.067 0.310 1
1 322 . 5 1 1 A 32 32 SER C C 32 176.120 176.016 0.104 1
1 323 . 5 1 1 A 33 33 GLU N N 33 118.525 121.215 -2.690 1
1 324 . 5 1 1 A 33 33 GLU H H 33 8.189 8.871 -0.682 1
1 325 . 5 1 1 A 33 33 GLU CA C 33 59.273 59.581 -0.308 1
1 326 . 5 1 1 A 33 33 GLU HA H 33 3.759 4.023 -0.264 1
1 327 . 5 1 1 A 33 33 GLU CB C 33 30.553 29.213 1.340 1
1 333 . 5 1 1 A 33 33 GLU C C 33 177.446 178.010 -0.564 1
1 334 . 5 1 1 A 34 34 ASP N N 34 113.498 117.687 -4.189 1
1 335 . 5 1 1 A 34 34 ASP H H 34 7.480 8.055 -0.575 1
1 336 . 5 1 1 A 34 34 ASP CA C 34 54.511 56.395 -1.884 1
1 337 . 5 1 1 A 34 34 ASP HA H 34 4.342 4.492 -0.150 1
1 338 . 5 1 1 A 34 34 ASP CB C 34 40.374 41.027 -0.653 1
1 341 . 5 1 1 A 34 34 ASP C C 34 175.854 176.014 -0.160 1
1 342 . 5 1 1 A 35 35 CYS N N 35 111.837 117.076 -5.239 1
1 343 . 5 1 1 A 35 35 CYS H H 35 8.327 8.396 -0.069 1
1 344 . 5 1 1 A 35 35 CYS CA C 35 61.093 60.577 0.516 1
1 345 . 5 1 1 A 35 35 CYS HA H 35 3.772 4.171 -0.399 1
1 346 . 5 1 1 A 35 35 CYS CB C 35 25.679 25.903 -0.224 1
1 349 . 5 1 1 A 35 35 CYS C C 35 173.370 174.809 -1.439 1
1 350 . 5 1 1 A 36 36 ARG N N 36 117.440 118.291 -0.851 1
1 351 . 5 1 1 A 36 36 ARG H H 36 7.473 8.205 -0.732 1
1 352 . 5 1 1 A 36 36 ARG CA C 36 57.988 54.965 3.023 1
1 353 . 5 1 1 A 36 36 ARG HA H 36 3.981 4.616 -0.635 1
1 354 . 5 1 1 A 36 36 ARG CB C 36 30.430 30.143 0.287 1
1 363 . 5 1 1 A 36 36 ARG C C 36 177.233 175.556 1.677 1
1 364 . 5 1 1 A 37 37 MET CA C 37 56.118 56.451 -0.333 1
1 365 . 5 1 1 A 37 37 MET HA H 37 4.036 4.321 -0.285 1
1 373 . 5 1 1 A 38 38 GLY H H 38 8.192 8.557 -0.365 1
1 374 . 5 1 1 A 38 38 GLY CA C 38 45.670 45.770 -0.100 1
1 375 . 5 1 1 A 38 38 GLY HA2 H 38 4.220 4.186 0.034 1
1 376 . 5 1 1 A 38 38 GLY HA3 H 38 3.595 4.192 -0.597 1
1 377 . 5 1 1 A 38 38 GLY C C 38 173.799 173.454 0.345 1
1 378 . 5 1 1 A 39 39 ALA N N 39 122.002 121.100 0.902 1
1 379 . 5 1 1 A 39 39 ALA H H 39 7.697 7.538 0.159 1
1 380 . 5 1 1 A 39 39 ALA CA C 39 51.019 51.101 -0.082 1
1 381 . 5 1 1 A 39 39 ALA HA H 39 4.678 4.574 0.104 1
1 382 . 5 1 1 A 39 39 ALA CB C 39 22.608 22.370 0.238 1
1 386 . 5 1 1 A 39 39 ALA C C 39 176.769 177.823 -1.054 1
1 387 . 5 1 1 A 40 40 GLY N N 40 107.149 107.500 -0.351 1
1 388 . 5 1 1 A 40 40 GLY H H 40 8.731 8.777 -0.046 1
1 389 . 5 1 1 A 40 40 GLY CA C 40 45.768 46.604 -0.836 1
1 390 . 5 1 1 A 40 40 GLY HA2 H 40 3.957 3.979 -0.022 1
1 391 . 5 1 1 A 40 40 GLY HA3 H 40 4.220 3.999 0.221 1
1 392 . 5 1 1 A 40 40 GLY C C 40 176.747 175.164 1.583 1
1 393 . 5 1 1 A 41 41 ILE CA C 41 63.397 63.180 0.217 1
1 394 . 5 1 1 A 41 41 ILE HA H 41 4.312 4.169 0.143 1
1 395 . 5 1 1 A 41 41 ILE CB C 41 38.794 38.167 0.627 1
1 408 . 5 1 1 A 41 41 ILE C C 41 177.249 177.881 -0.632 1
1 409 . 5 1 1 A 42 42 ALA N N 42 124.835 123.851 0.984 1
1 410 . 5 1 1 A 42 42 ALA H H 42 8.629 8.313 0.316 1
1 411 . 5 1 1 A 42 42 ALA CA C 42 55.599 55.042 0.557 1
1 412 . 5 1 1 A 42 42 ALA HA H 42 4.377 3.546 0.831 1
1 413 . 5 1 1 A 42 42 ALA CB C 42 18.155 18.518 -0.363 1
1 417 . 5 1 1 A 42 42 ALA C C 42 179.079 180.678 -1.599 1
1 418 . 5 1 1 A 43 43 VAL N N 43 116.015 118.359 -2.344 1
1 419 . 5 1 1 A 43 43 VAL H H 43 7.363 7.519 -0.156 1
1 420 . 5 1 1 A 43 43 VAL CA C 43 65.623 66.979 -1.356 1
1 421 . 5 1 1 A 43 43 VAL HA H 43 3.822 3.625 0.197 1
1 422 . 5 1 1 A 43 43 VAL CB C 43 32.408 31.773 0.635 1
1 432 . 5 1 1 A 43 43 VAL C C 43 178.285 178.240 0.045 1
1 433 . 5 1 1 A 44 44 LEU N N 44 119.736 119.606 0.130 1
1 434 . 5 1 1 A 44 44 LEU H H 44 7.357 8.253 -0.896 1
1 435 . 5 1 1 A 44 44 LEU CA C 44 57.460 58.340 -0.880 1
1 436 . 5 1 1 A 44 44 LEU HA H 44 3.968 3.868 0.100 1
1 437 . 5 1 1 A 44 44 LEU CB C 44 41.234 41.639 -0.405 1
1 450 . 5 1 1 A 44 44 LEU C C 44 179.972 179.532 0.440 1
1 451 . 5 1 1 A 45 45 PHE N N 45 118.434 117.666 0.768 1
1 452 . 5 1 1 A 45 45 PHE H H 45 7.733 7.960 -0.227 1
1 453 . 5 1 1 A 45 45 PHE CA C 45 63.151 60.650 2.501 1
1 454 . 5 1 1 A 45 45 PHE HA H 45 4.009 4.300 -0.291 1
1 455 . 5 1 1 A 45 45 PHE CB C 45 39.883 38.669 1.214 1
1 468 . 5 1 1 A 45 45 PHE C C 45 180.448 178.365 2.083 1
1 469 . 5 1 1 A 46 46 LYS N N 46 124.749 121.460 3.289 1
1 470 . 5 1 1 A 46 46 LYS H H 46 8.819 8.691 0.128 1
1 471 . 5 1 1 A 46 46 LYS CA C 46 60.958 59.144 1.814 1
1 472 . 5 1 1 A 46 46 LYS HA H 46 4.160 4.125 0.035 1
1 473 . 5 1 1 A 46 46 LYS CB C 46 31.930 31.820 0.110 1
1 485 . 5 1 1 A 46 46 LYS C C 46 179.139 179.218 -0.079 1
1 486 . 5 1 1 A 47 47 LYS N N 47 119.317 119.006 0.311 1
1 487 . 5 1 1 A 47 47 LYS H H 47 8.154 7.887 0.267 1
1 488 . 5 1 1 A 47 47 LYS CA C 47 59.331 59.094 0.237 1
1 489 . 5 1 1 A 47 47 LYS HA H 47 3.939 4.065 -0.126 1
1 490 . 5 1 1 A 47 47 LYS CB C 47 33.065 32.740 0.325 1
1 502 . 5 1 1 A 47 47 LYS C C 47 178.108 178.944 -0.836 1
1 503 . 5 1 1 A 48 48 LYS N N 48 116.005 118.143 -2.138 1
1 504 . 5 1 1 A 48 48 LYS H H 48 7.976 7.973 0.003 1
1 505 . 5 1 1 A 48 48 LYS CA C 48 58.650 58.333 0.317 1
1 506 . 5 1 1 A 48 48 LYS HA H 48 3.684 3.831 -0.147 1
1 507 . 5 1 1 A 48 48 LYS CB C 48 32.372 32.301 0.071 1
1 519 . 5 1 1 A 48 48 LYS C C 48 178.213 176.860 1.353 1
1 520 . 5 1 1 A 49 49 PHE N N 49 112.629 114.253 -1.624 1
1 521 . 5 1 1 A 49 49 PHE H H 49 7.658 7.881 -0.223 1
1 522 . 5 1 1 A 49 49 PHE CA C 49 56.958 55.980 0.978 1
1 523 . 5 1 1 A 49 49 PHE HA H 49 5.028 4.882 0.146 1
1 524 . 5 1 1 A 49 49 PHE CB C 49 40.496 37.655 2.841 1
1 537 . 5 1 1 A 49 49 PHE C C 49 176.188 176.882 -0.694 1
1 538 . 5 1 1 A 50 50 GLY N N 50 108.499 109.144 -0.645 1
1 539 . 5 1 1 A 50 50 GLY H H 50 7.821 8.461 -0.640 1
1 540 . 5 1 1 A 50 50 GLY CA C 50 46.579 47.209 -0.630 1
1 541 . 5 1 1 A 50 50 GLY HA2 H 50 3.953 3.861 0.092 1
1 542 . 5 1 1 A 50 50 GLY HA3 H 50 3.953 3.893 0.060 1
1 543 . 5 1 1 A 50 50 GLY C C 50 174.288 175.583 -1.295 1
1 544 . 5 1 1 A 51 51 GLY N N 51 108.968 107.488 1.480 1
1 545 . 5 1 1 A 51 51 GLY H H 51 8.600 8.076 0.524 1
1 546 . 5 1 1 A 51 51 GLY CA C 51 46.597 47.136 -0.539 1
1 547 . 5 1 1 A 51 51 GLY HA2 H 51 3.943 3.875 0.068 1
1 548 . 5 1 1 A 51 51 GLY HA3 H 51 4.047 3.883 0.164 1
1 549 . 5 1 1 A 51 51 GLY C C 51 174.522 175.430 -0.908 1
1 550 . 5 1 1 A 52 52 VAL N N 52 118.929 119.596 -0.667 1
1 551 . 5 1 1 A 52 52 VAL H H 52 7.980 7.994 -0.014 1
1 552 . 5 1 1 A 52 52 VAL CA C 52 68.080 65.674 2.406 1
1 553 . 5 1 1 A 52 52 VAL HA H 52 3.334 3.671 -0.337 1
1 554 . 5 1 1 A 52 52 VAL CB C 52 31.150 31.287 -0.137 1
1 564 . 5 1 1 A 52 52 VAL C C 52 177.566 177.654 -0.088 1
1 565 . 5 1 1 A 53 53 GLN N N 53 116.880 120.863 -3.983 1
1 566 . 5 1 1 A 53 53 GLN H H 53 8.513 7.904 0.609 1
1 567 . 5 1 1 A 53 53 GLN CA C 53 58.730 58.424 0.306 1
1 568 . 5 1 1 A 53 53 GLN HA H 53 3.946 4.105 -0.159 1
1 569 . 5 1 1 A 53 53 GLN CB C 53 28.098 28.455 -0.357 1
1 578 . 5 1 1 A 53 53 GLN C C 53 177.916 178.639 -0.723 1
1 579 . 5 1 1 A 54 54 GLU N N 54 119.584 119.014 0.570 1
1 580 . 5 1 1 A 54 54 GLU H H 54 7.525 8.172 -0.647 1
1 581 . 5 1 1 A 54 54 GLU CA C 54 59.754 59.253 0.501 1
1 582 . 5 1 1 A 54 54 GLU HA H 54 3.980 4.086 -0.106 1
1 583 . 5 1 1 A 54 54 GLU CB C 54 29.509 29.186 0.323 1
1 589 . 5 1 1 A 54 54 GLU C C 54 180.168 179.132 1.036 1
1 590 . 5 1 1 A 55 55 LEU N N 55 121.130 120.443 0.687 1
1 591 . 5 1 1 A 55 55 LEU H H 55 8.437 7.861 0.576 1
1 592 . 5 1 1 A 55 55 LEU CA C 55 58.005 57.088 0.917 1
1 593 . 5 1 1 A 55 55 LEU HA H 55 3.870 4.115 -0.245 1
1 594 . 5 1 1 A 55 55 LEU CB C 55 42.588 41.441 1.147 1
1 607 . 5 1 1 A 55 55 LEU C C 55 180.835 179.320 1.515 1
1 608 . 5 1 1 A 56 56 LEU N N 56 123.508 119.046 4.462 1
1 609 . 5 1 1 A 56 56 LEU H H 56 8.664 7.708 0.956 1
1 610 . 5 1 1 A 56 56 LEU CA C 56 58.397 57.864 0.533 1
1 611 . 5 1 1 A 56 56 LEU HA H 56 3.972 3.925 0.047 1
1 612 . 5 1 1 A 56 56 LEU CB C 56 42.087 40.842 1.245 1
1 625 . 5 1 1 A 56 56 LEU C C 56 181.257 179.212 2.045 1
1 626 . 5 1 1 A 57 57 ASN N N 57 116.946 118.462 -1.516 1
1 627 . 5 1 1 A 57 57 ASN H H 57 8.334 8.287 0.047 1
1 628 . 5 1 1 A 57 57 ASN CA C 57 54.627 56.414 -1.787 1
1 629 . 5 1 1 A 57 57 ASN HA H 57 4.566 4.372 0.194 1
1 630 . 5 1 1 A 57 57 ASN CB C 57 38.170 38.049 0.121 1
1 636 . 5 1 1 A 57 57 ASN C C 57 176.756 178.341 -1.585 1
1 637 . 5 1 1 A 58 58 GLN N N 58 118.214 117.228 0.986 1
1 638 . 5 1 1 A 58 58 GLN H H 58 7.670 7.412 0.258 1
1 639 . 5 1 1 A 58 58 GLN CA C 58 58.022 57.348 0.674 1
1 640 . 5 1 1 A 58 58 GLN HA H 58 4.184 4.225 -0.041 1
1 641 . 5 1 1 A 58 58 GLN CB C 58 28.460 28.789 -0.329 1
1 650 . 5 1 1 A 58 58 GLN C C 58 175.792 175.429 0.363 1
1 651 . 5 1 1 A 59 59 GLN N N 59 114.113 116.114 -2.001 1
1 652 . 5 1 1 A 59 59 GLN H H 59 7.825 8.182 -0.357 1
1 653 . 5 1 1 A 59 59 GLN CA C 59 56.584 56.660 -0.076 1
1 654 . 5 1 1 A 59 59 GLN HA H 59 4.015 3.820 0.195 1
1 655 . 5 1 1 A 59 59 GLN CB C 59 26.829 26.403 0.426 1
1 664 . 5 1 1 A 59 59 GLN C C 59 175.049 175.243 -0.194 1
1 665 . 5 1 1 A 60 60 LYS N N 60 118.472 119.059 -0.587 1
1 666 . 5 1 1 A 60 60 LYS H H 60 9.134 8.092 1.042 1
1 667 . 5 1 1 A 60 60 LYS CA C 60 54.005 56.555 -2.550 1
1 668 . 5 1 1 A 60 60 LYS HA H 60 4.458 4.353 0.105 1
1 669 . 5 1 1 A 60 60 LYS CB C 60 32.573 34.020 -1.447 1
1 681 . 5 1 1 A 60 60 LYS C C 60 176.936 175.815 1.121 1
1 682 . 5 1 1 A 61 61 LYS N N 61 121.877 117.982 3.895 1
1 683 . 5 1 1 A 61 61 LYS H H 61 9.069 8.973 0.096 1
1 684 . 5 1 1 A 61 61 LYS CA C 61 53.421 54.516 -1.095 1
1 685 . 5 1 1 A 61 61 LYS HA H 61 4.517 5.239 -0.722 1
1 686 . 5 1 1 A 61 61 LYS CB C 61 35.816 35.620 0.196 1
1 698 . 5 1 1 A 61 61 LYS C C 61 175.049 175.338 -0.289 1
1 699 . 5 1 1 A 62 62 SER N N 62 114.153 117.564 -3.411 1
1 700 . 5 1 1 A 62 62 SER H H 62 8.524 8.745 -0.221 1
1 701 . 5 1 1 A 62 62 SER CA C 62 60.959 60.583 0.376 1
1 702 . 5 1 1 A 62 62 SER HA H 62 3.954 4.340 -0.386 1
1 703 . 5 1 1 A 62 62 SER CB C 62 64.374 62.482 1.892 1
1 706 . 5 1 1 A 62 62 SER C C 62 175.660 175.398 0.262 1
1 707 . 5 1 1 A 63 63 GLY N N 63 111.615 113.397 -1.782 1
1 708 . 5 1 1 A 63 63 GLY H H 63 9.308 8.789 0.519 1
1 709 . 5 1 1 A 63 63 GLY CA C 63 44.971 45.142 -0.171 1
1 710 . 5 1 1 A 63 63 GLY HA2 H 63 4.188 4.021 0.167 1
1 711 . 5 1 1 A 63 63 GLY HA3 H 63 4.188 4.026 0.162 1
1 712 . 5 1 1 A 63 63 GLY C C 63 172.420 173.937 -1.517 1
1 713 . 5 1 1 A 64 64 GLU N N 64 117.287 121.429 -4.142 1
1 714 . 5 1 1 A 64 64 GLU H H 64 7.909 7.809 0.100 1
1 715 . 5 1 1 A 64 64 GLU CA C 64 53.972 55.328 -1.356 1
1 716 . 5 1 1 A 64 64 GLU HA H 64 4.549 4.731 -0.182 1
1 717 . 5 1 1 A 64 64 GLU CB C 64 32.449 32.117 0.332 1
1 723 . 5 1 1 A 64 64 GLU C C 64 174.611 174.903 -0.292 1
1 724 . 5 1 1 A 65 65 VAL N N 65 118.093 122.600 -4.507 1
1 725 . 5 1 1 A 65 65 VAL H H 65 8.337 8.773 -0.436 1
1 726 . 5 1 1 A 65 65 VAL CA C 65 59.380 59.751 -0.371 1
1 727 . 5 1 1 A 65 65 VAL HA H 65 5.149 5.004 0.145 1
1 728 . 5 1 1 A 65 65 VAL CB C 65 35.892 35.218 0.674 1
1 738 . 5 1 1 A 65 65 VAL C C 65 172.013 173.886 -1.873 1
1 739 . 5 1 1 A 66 66 ALA N N 66 130.790 128.662 2.128 1
1 740 . 5 1 1 A 66 66 ALA H H 66 8.876 8.550 0.326 1
1 741 . 5 1 1 A 66 66 ALA CA C 66 50.170 50.111 0.059 1
1 742 . 5 1 1 A 66 66 ALA HA H 66 4.879 5.409 -0.530 1
1 743 . 5 1 1 A 66 66 ALA CB C 66 21.291 22.849 -1.558 1
1 747 . 5 1 1 A 66 66 ALA C C 66 175.997 176.000 -0.003 1
1 748 . 5 1 1 A 67 67 VAL N N 67 119.453 119.929 -0.476 1
1 749 . 5 1 1 A 67 67 VAL H H 67 8.615 8.466 0.149 1
1 750 . 5 1 1 A 67 67 VAL CA C 67 61.078 60.912 0.166 1
1 751 . 5 1 1 A 67 67 VAL HA H 67 5.255 5.138 0.117 1
1 752 . 5 1 1 A 67 67 VAL CB C 67 36.283 35.492 0.791 1
1 762 . 5 1 1 A 67 67 VAL C C 67 176.213 174.646 1.567 1
1 763 . 5 1 1 A 68 68 LEU N N 68 126.404 129.182 -2.778 1
1 764 . 5 1 1 A 68 68 LEU H H 68 9.013 8.554 0.459 1
1 765 . 5 1 1 A 68 68 LEU CA C 68 53.424 53.982 -0.558 1
1 766 . 5 1 1 A 68 68 LEU HA H 68 4.809 4.997 -0.188 1
1 767 . 5 1 1 A 68 68 LEU CB C 68 46.473 45.762 0.711 1
1 780 . 5 1 1 A 68 68 LEU C C 68 174.704 174.536 0.168 1
1 781 . 5 1 1 A 69 69 LYS N N 69 123.462 128.108 -4.646 1
1 782 . 5 1 1 A 69 69 LYS H H 69 8.756 8.892 -0.136 1
1 783 . 5 1 1 A 69 69 LYS CA C 69 55.228 55.957 -0.729 1
1 784 . 5 1 1 A 69 69 LYS HA H 69 4.791 4.992 -0.201 1
1 785 . 5 1 1 A 69 69 LYS CB C 69 33.820 32.162 1.658 1
1 797 . 5 1 1 A 69 69 LYS C C 69 177.387 175.852 1.535 1
1 798 . 5 1 1 A 70 70 ARG N N 70 127.852 128.570 -0.718 1
1 799 . 5 1 1 A 70 70 ARG H H 70 8.688 8.871 -0.183 1
1 800 . 5 1 1 A 70 70 ARG CA C 70 52.929 57.329 -4.400 1
1 801 . 5 1 1 A 70 70 ARG CB C 70 34.028 32.560 1.468 1
1 809 . 5 1 1 A 70 70 ARG C C 70 175.460 175.508 -0.048 1
1 810 . 5 1 1 A 71 71 ASP CA C 71 55.193 53.081 2.112 1
1 811 . 5 1 1 A 71 71 ASP HA H 71 4.268 4.584 -0.316 1
1 812 . 5 1 1 A 71 71 ASP CB C 71 40.326 39.487 0.839 1
1 815 . 5 1 1 A 71 71 ASP C C 71 175.970 175.775 0.195 1
1 816 . 5 1 1 A 72 72 GLY N N 72 104.319 112.271 -7.952 1
1 817 . 5 1 1 A 72 72 GLY H H 72 8.642 7.920 0.722 1
1 818 . 5 1 1 A 72 72 GLY CA C 72 45.692 46.532 -0.840 1
1 819 . 5 1 1 A 72 72 GLY HA2 H 72 4.062 3.808 0.254 1
1 820 . 5 1 1 A 72 72 GLY HA3 H 72 3.516 3.827 -0.311 1
1 821 . 5 1 1 A 72 72 GLY C C 72 172.604 173.285 -0.681 1
1 822 . 5 1 1 A 73 73 ARG N N 73 118.257 115.840 2.417 1
1 823 . 5 1 1 A 73 73 ARG H H 73 7.794 7.353 0.441 1
1 824 . 5 1 1 A 73 73 ARG CA C 73 52.893 53.783 -0.890 1
1 825 . 5 1 1 A 73 73 ARG HA H 73 4.560 4.463 0.097 1
1 826 . 5 1 1 A 73 73 ARG CB C 73 31.831 33.185 -1.354 1
1 837 . 5 1 1 A 73 73 ARG C C 73 173.057 173.686 -0.629 1
1 838 . 5 1 1 A 74 74 TYR N N 74 117.830 117.276 0.554 1
1 839 . 5 1 1 A 74 74 TYR H H 74 8.366 7.987 0.379 1
1 840 . 5 1 1 A 74 74 TYR CA C 74 57.987 56.319 1.668 1
1 841 . 5 1 1 A 74 74 TYR HA H 74 5.005 5.059 -0.054 1
1 842 . 5 1 1 A 74 74 TYR CB C 74 40.473 39.386 1.087 1
1 853 . 5 1 1 A 74 74 TYR C C 74 173.530 174.814 -1.284 1
1 854 . 5 1 1 A 75 75 ILE N N 75 120.880 125.291 -4.411 1
1 855 . 5 1 1 A 75 75 ILE H H 75 8.923 8.287 0.636 1
1 856 . 5 1 1 A 75 75 ILE CA C 75 59.632 61.317 -1.685 1
1 857 . 5 1 1 A 75 75 ILE HA H 75 4.398 4.173 0.225 1
1 858 . 5 1 1 A 75 75 ILE CB C 75 37.608 37.858 -0.250 1
1 871 . 5 1 1 A 75 75 ILE C C 75 174.203 175.055 -0.852 1
1 872 . 5 1 1 A 76 76 TYR N N 76 125.586 127.939 -2.353 1
1 873 . 5 1 1 A 76 76 TYR H H 76 9.540 9.295 0.245 1
1 874 . 5 1 1 A 76 76 TYR CA C 76 59.137 56.439 2.698 1
1 875 . 5 1 1 A 76 76 TYR HA H 76 4.630 5.559 -0.929 1
1 876 . 5 1 1 A 76 76 TYR CB C 76 39.909 40.682 -0.773 1
1 887 . 5 1 1 A 76 76 TYR C C 76 174.280 174.746 -0.466 1
1 888 . 5 1 1 A 77 77 TYR N N 77 123.524 121.815 1.709 1
1 889 . 5 1 1 A 77 77 TYR H H 77 9.221 8.848 0.373 1
1 890 . 5 1 1 A 77 77 TYR CA C 77 55.476 56.480 -1.004 1
1 891 . 5 1 1 A 77 77 TYR HA H 77 4.155 5.280 -1.125 1
1 892 . 5 1 1 A 77 77 TYR CB C 77 35.926 39.663 -3.737 1
1 903 . 5 1 1 A 77 77 TYR C C 77 174.236 175.215 -0.979 1
1 904 . 5 1 1 A 78 78 LEU N N 78 123.875 126.118 -2.243 1
1 905 . 5 1 1 A 78 78 LEU H H 78 8.948 8.662 0.286 1
1 906 . 5 1 1 A 78 78 LEU CA C 78 55.635 55.534 0.101 1
1 907 . 5 1 1 A 78 78 LEU HA H 78 4.134 4.518 -0.384 1
1 908 . 5 1 1 A 78 78 LEU CB C 78 40.856 41.900 -1.044 1
1 921 . 5 1 1 A 78 78 LEU C C 78 175.294 176.384 -1.090 1
1 922 . 5 1 1 A 79 79 ILE N N 79 127.986 125.547 2.439 1
1 923 . 5 1 1 A 79 79 ILE H H 79 8.322 8.583 -0.261 1
1 924 . 5 1 1 A 79 79 ILE CA C 79 59.349 60.837 -1.488 1
1 925 . 5 1 1 A 79 79 ILE HA H 79 4.372 4.585 -0.213 1
1 926 . 5 1 1 A 79 79 ILE CB C 79 34.277 37.785 -3.508 1
1 939 . 5 1 1 A 79 79 ILE C C 79 176.505 176.189 0.316 1
1 940 . 5 1 1 A 80 80 THR N N 80 113.978 118.717 -4.739 1
1 941 . 5 1 1 A 80 80 THR H H 80 8.276 8.627 -0.351 1
1 942 . 5 1 1 A 80 80 THR CA C 80 61.646 62.480 -0.834 1
1 943 . 5 1 1 A 80 80 THR HA H 80 4.334 4.559 -0.225 1
1 944 . 5 1 1 A 80 80 THR CB C 80 69.165 69.628 -0.463 1
1 950 . 5 1 1 A 80 80 THR C C 80 172.999 174.449 -1.450 1
1 951 . 5 1 1 A 81 81 LYS N N 81 114.856 119.458 -4.602 1
1 952 . 5 1 1 A 81 81 LYS H H 81 7.512 7.618 -0.106 1
1 953 . 5 1 1 A 81 81 LYS CA C 81 54.894 54.764 0.130 1
1 954 . 5 1 1 A 81 81 LYS HA H 81 4.649 4.878 -0.229 1
1 955 . 5 1 1 A 81 81 LYS CB C 81 34.139 34.581 -0.442 1
1 964 . 5 1 1 A 81 81 LYS C C 81 175.344 175.909 -0.565 1
1 965 . 5 1 1 A 82 82 LYS N N 82 121.209 118.145 3.064 1
1 966 . 5 1 1 A 82 82 LYS H H 82 9.577 9.015 0.562 1
1 967 . 5 1 1 A 82 82 LYS CA C 82 60.198 56.846 3.352 1
1 968 . 5 1 1 A 82 82 LYS HA H 82 3.884 4.618 -0.734 1
1 969 . 5 1 1 A 82 82 LYS CB C 82 33.603 34.650 -1.047 1
1 981 . 5 1 1 A 82 82 LYS C C 82 176.049 176.432 -0.383 1
1 982 . 5 1 1 A 83 83 ARG N N 83 112.456 115.382 -2.926 1
1 983 . 5 1 1 A 83 83 ARG H H 83 6.717 7.703 -0.986 1
1 984 . 5 1 1 A 83 83 ARG CA C 83 52.451 55.083 -2.632 1
1 985 . 5 1 1 A 83 83 ARG HA H 83 4.691 4.595 0.096 1
1 986 . 5 1 1 A 83 83 ARG CB C 83 32.857 31.946 0.911 1
1 995 . 5 1 1 A 83 83 ARG C C 83 177.299 175.831 1.468 1
1 996 . 5 1 1 A 84 84 ALA N N 84 124.857 124.830 0.027 1
1 997 . 5 1 1 A 84 84 ALA H H 84 9.290 8.657 0.633 1
1 998 . 5 1 1 A 84 84 ALA CA C 84 56.005 55.785 0.220 1
1 999 . 5 1 1 A 84 84 ALA HA H 84 3.895 3.991 -0.096 1
1 1000 . 5 1 1 A 84 84 ALA CB C 84 19.175 18.445 0.730 1
1 1004 . 5 1 1 A 84 84 ALA C C 84 178.350 179.296 -0.946 1
1 1005 . 5 1 1 A 85 85 SER CA C 85 58.631 61.574 -2.943 1
1 1006 . 5 1 1 A 85 85 SER HA H 85 4.338 4.022 0.316 1
1 1007 . 5 1 1 A 85 85 SER CB C 85 63.277 62.941 0.336 1
1 1010 . 5 1 1 A 85 85 SER C C 85 175.469 174.341 1.128 1
1 1011 . 5 1 1 A 86 86 HIS N N 86 121.978 116.658 5.320 1
1 1012 . 5 1 1 A 86 86 HIS H H 86 7.560 8.046 -0.486 1
1 1013 . 5 1 1 A 86 86 HIS CA C 86 54.468 56.273 -1.805 1
1 1014 . 5 1 1 A 86 86 HIS HA H 86 4.766 4.801 -0.035 1
1 1015 . 5 1 1 A 86 86 HIS CB C 86 33.069 31.510 1.559 1
1 1022 . 5 1 1 A 86 86 HIS C C 86 174.466 175.436 -0.970 1
1 1023 . 5 1 1 A 87 87 LYS N N 87 122.014 121.197 0.817 1
1 1024 . 5 1 1 A 87 87 LYS H H 87 8.693 8.601 0.092 1
1 1025 . 5 1 1 A 87 87 LYS CA C 87 53.283 53.042 0.241 1
1 1026 . 5 1 1 A 87 87 LYS HA H 87 4.792 4.644 0.148 1
1 1027 . 5 1 1 A 87 87 LYS CB C 87 32.803 33.862 -1.059 1
1 1037 . 5 1 1 A 87 87 LYS C C 87 175.072 173.946 1.126 1
1 1038 . 5 1 1 A 88 88 PRO CA C 88 62.515 62.497 0.018 1
1 1039 . 5 1 1 A 88 88 PRO HA H 88 4.796 4.781 0.015 1
1 1040 . 5 1 1 A 88 88 PRO CB C 88 32.687 32.993 -0.306 1
1 1049 . 5 1 1 A 88 88 PRO C C 88 175.319 176.265 -0.946 1
1 1050 . 5 1 1 A 89 89 THR N N 89 107.501 112.475 -4.974 1
1 1051 . 5 1 1 A 89 89 THR H H 89 7.933 8.220 -0.287 1
1 1052 . 5 1 1 A 89 89 THR CA C 89 58.518 59.914 -1.396 1
1 1053 . 5 1 1 A 89 89 THR HA H 89 4.758 4.798 -0.040 1
1 1054 . 5 1 1 A 89 89 THR CB C 89 70.861 71.849 -0.988 1
1 1060 . 5 1 1 A 89 89 THR C C 89 175.662 174.760 0.902 1
1 1061 . 5 1 1 A 90 90 TYR N N 90 120.845 124.539 -3.694 1
1 1062 . 5 1 1 A 90 90 TYR H H 90 8.751 8.961 -0.210 1
1 1063 . 5 1 1 A 90 90 TYR CA C 90 63.195 61.055 2.140 1
1 1064 . 5 1 1 A 90 90 TYR HA H 90 4.064 4.254 -0.190 1
1 1065 . 5 1 1 A 90 90 TYR CB C 90 37.372 38.437 -1.065 1
1 1076 . 5 1 1 A 90 90 TYR C C 90 178.063 177.925 0.138 1
1 1077 . 5 1 1 A 91 91 GLU N N 91 118.210 120.818 -2.608 1
1 1078 . 5 1 1 A 91 91 GLU H H 91 8.857 8.448 0.409 1
1 1079 . 5 1 1 A 91 91 GLU CA C 91 60.312 59.675 0.637 1
1 1080 . 5 1 1 A 91 91 GLU HA H 91 4.114 3.955 0.159 1
1 1081 . 5 1 1 A 91 91 GLU CB C 91 29.276 28.958 0.318 1
1 1087 . 5 1 1 A 91 91 GLU C C 91 178.970 178.826 0.144 1
1 1088 . 5 1 1 A 92 92 ASN N N 92 117.220 118.680 -1.460 1
1 1089 . 5 1 1 A 92 92 ASN H H 92 7.894 7.934 -0.040 1
1 1090 . 5 1 1 A 92 92 ASN CA C 92 55.334 56.382 -1.048 1
1 1091 . 5 1 1 A 92 92 ASN HA H 92 4.696 4.440 0.256 1
1 1092 . 5 1 1 A 92 92 ASN CB C 92 37.704 38.358 -0.654 1
1 1098 . 5 1 1 A 92 92 ASN C C 92 178.155 177.794 0.361 1
1 1099 . 5 1 1 A 93 93 LEU N N 93 121.622 121.447 0.175 1
1 1100 . 5 1 1 A 93 93 LEU H H 93 8.038 8.181 -0.143 1
1 1101 . 5 1 1 A 93 93 LEU CA C 93 58.495 59.009 -0.514 1
1 1102 . 5 1 1 A 93 93 LEU HA H 93 4.092 3.966 0.126 1
1 1103 . 5 1 1 A 93 93 LEU CB C 93 41.383 41.917 -0.534 1
1 1116 . 5 1 1 A 93 93 LEU C C 93 177.808 178.542 -0.734 1
1 1117 . 5 1 1 A 94 94 GLN N N 94 120.352 118.223 2.129 1
1 1118 . 5 1 1 A 94 94 GLN H H 94 8.792 7.736 1.056 1
1 1119 . 5 1 1 A 94 94 GLN CA C 94 61.099 59.284 1.815 1
1 1120 . 5 1 1 A 94 94 GLN HA H 94 3.721 3.995 -0.274 1
1 1121 . 5 1 1 A 94 94 GLN CB C 94 27.560 28.802 -1.242 1
1 1130 . 5 1 1 A 94 94 GLN C C 94 178.042 178.379 -0.337 1
1 1131 . 5 1 1 A 95 95 LYS N N 95 117.824 118.490 -0.666 1
1 1132 . 5 1 1 A 95 95 LYS H H 95 7.803 7.695 0.108 1
1 1133 . 5 1 1 A 95 95 LYS CA C 95 60.222 59.506 0.716 1
1 1134 . 5 1 1 A 95 95 LYS HA H 95 4.012 3.947 0.065 1
1 1135 . 5 1 1 A 95 95 LYS CB C 95 33.168 32.251 0.917 1
1 1147 . 5 1 1 A 95 95 LYS C C 95 179.868 179.067 0.801 1
1 1148 . 5 1 1 A 96 96 SER N N 96 118.301 116.038 2.263 1
1 1149 . 5 1 1 A 96 96 SER H H 96 8.251 8.082 0.169 1
1 1150 . 5 1 1 A 96 96 SER CA C 96 63.668 62.418 1.250 1
1 1151 . 5 1 1 A 96 96 SER HA H 96 3.710 4.140 -0.430 1
1 1152 . 5 1 1 A 96 96 SER CB C 96 62.882 62.722 0.160 1
1 1155 . 5 1 1 A 96 96 SER C C 96 176.400 176.318 0.082 1
1 1156 . 5 1 1 A 97 97 LEU N N 97 122.701 120.531 2.170 1
1 1157 . 5 1 1 A 97 97 LEU H H 97 8.467 8.192 0.275 1
1 1158 . 5 1 1 A 97 97 LEU CA C 97 58.323 57.977 0.346 1
1 1159 . 5 1 1 A 97 97 LEU HA H 97 3.861 4.034 -0.173 1
1 1160 . 5 1 1 A 97 97 LEU CB C 97 42.995 41.232 1.763 1
1 1173 . 5 1 1 A 97 97 LEU C C 97 178.941 179.137 -0.196 1
1 1174 . 5 1 1 A 98 98 GLU N N 98 119.918 118.667 1.251 1
1 1175 . 5 1 1 A 98 98 GLU H H 98 8.410 8.422 -0.012 1
1 1176 . 5 1 1 A 98 98 GLU CA C 98 59.561 59.143 0.418 1
1 1177 . 5 1 1 A 98 98 GLU HA H 98 3.622 4.031 -0.409 1
1 1178 . 5 1 1 A 98 98 GLU CB C 98 29.142 28.915 0.227 1
1 1184 . 5 1 1 A 98 98 GLU C C 98 179.137 178.256 0.881 1
1 1185 . 5 1 1 A 99 99 ALA N N 99 124.193 122.969 1.224 1
1 1186 . 5 1 1 A 99 99 ALA H H 99 8.197 7.854 0.343 1
1 1187 . 5 1 1 A 99 99 ALA CA C 99 55.016 54.568 0.448 1
1 1188 . 5 1 1 A 99 99 ALA HA H 99 4.247 4.246 0.001 1
1 1189 . 5 1 1 A 99 99 ALA CB C 99 17.815 18.783 -0.968 1
1 1193 . 5 1 1 A 99 99 ALA C C 99 181.133 179.295 1.838 1
1 1194 . 5 1 1 A 100 100 MET N N 100 122.009 118.341 3.668 1
1 1195 . 5 1 1 A 100 100 MET H H 100 8.482 7.961 0.521 1
1 1196 . 5 1 1 A 100 100 MET CA C 100 59.826 58.209 1.617 1
1 1197 . 5 1 1 A 100 100 MET HA H 100 3.714 3.918 -0.204 1
1 1198 . 5 1 1 A 100 100 MET CB C 100 32.944 32.212 0.732 1
1 1208 . 5 1 1 A 100 100 MET C C 100 176.658 177.772 -1.114 1
1 1209 . 5 1 1 A 101 101 LYS N N 101 120.991 118.349 2.642 1
1 1210 . 5 1 1 A 101 101 LYS H H 101 8.721 7.709 1.012 1
1 1211 . 5 1 1 A 101 101 LYS CA C 101 60.563 58.766 1.797 1
1 1212 . 5 1 1 A 101 101 LYS HA H 101 3.614 3.977 -0.363 1
1 1213 . 5 1 1 A 101 101 LYS CB C 101 30.759 31.996 -1.237 1
1 1225 . 5 1 1 A 101 101 LYS C C 101 177.419 178.315 -0.896 1
1 1226 . 5 1 1 A 102 102 SER N N 102 111.833 114.594 -2.761 1
1 1227 . 5 1 1 A 102 102 SER H H 102 8.005 8.072 -0.067 1
1 1228 . 5 1 1 A 102 102 SER CA C 102 61.993 61.715 0.278 1
1 1229 . 5 1 1 A 102 102 SER HA H 102 4.082 4.113 -0.031 1
1 1230 . 5 1 1 A 102 102 SER CB C 102 62.863 63.162 -0.299 1
1 1233 . 5 1 1 A 102 102 SER C C 102 176.601 176.891 -0.290 1
1 1234 . 5 1 1 A 103 103 HIS N N 103 121.793 120.884 0.909 1
1 1235 . 5 1 1 A 103 103 HIS H H 103 7.605 7.805 -0.200 1
1 1236 . 5 1 1 A 103 103 HIS CA C 103 62.090 59.693 2.397 1
1 1237 . 5 1 1 A 103 103 HIS HA H 103 4.000 4.306 -0.306 1
1 1238 . 5 1 1 A 103 103 HIS CB C 103 30.652 30.012 0.640 1
1 1245 . 5 1 1 A 103 103 HIS C C 103 179.129 176.457 2.672 1
1 1246 . 5 1 1 A 104 104 CYS N N 104 119.421 116.465 2.956 1
1 1247 . 5 1 1 A 104 104 CYS H H 104 9.261 7.582 1.679 1
1 1248 . 5 1 1 A 104 104 CYS CA C 104 63.841 63.569 0.272 1
1 1249 . 5 1 1 A 104 104 CYS HA H 104 4.105 4.147 -0.042 1
1 1250 . 5 1 1 A 104 104 CYS CB C 104 27.916 27.054 0.862 1
1 1253 . 5 1 1 A 104 104 CYS C C 104 178.176 177.384 0.792 1
1 1254 . 5 1 1 A 105 105 LEU N N 105 117.129 120.616 -3.487 1
1 1255 . 5 1 1 A 105 105 LEU H H 105 8.331 7.919 0.412 1
1 1256 . 5 1 1 A 105 105 LEU CA C 105 57.262 58.114 -0.852 1
1 1257 . 5 1 1 A 105 105 LEU HA H 105 4.245 3.941 0.304 1
1 1258 . 5 1 1 A 105 105 LEU CB C 105 42.030 41.764 0.266 1
1 1271 . 5 1 1 A 105 105 LEU C C 105 180.635 178.919 1.716 1
1 1272 . 5 1 1 A 106 106 LYS N N 106 118.583 116.826 1.757 1
1 1273 . 5 1 1 A 106 106 LYS H H 106 7.638 8.085 -0.447 1
1 1274 . 5 1 1 A 106 106 LYS CA C 106 58.075 60.013 -1.938 1
1 1275 . 5 1 1 A 106 106 LYS HA H 106 4.140 3.912 0.228 1
1 1276 . 5 1 1 A 106 106 LYS CB C 106 33.191 32.266 0.925 1
1 1288 . 5 1 1 A 106 106 LYS C C 106 177.466 178.630 -1.164 1
1 1289 . 5 1 1 A 107 107 ASN N N 107 113.320 114.608 -1.288 1
1 1290 . 5 1 1 A 107 107 ASN H H 107 7.606 7.850 -0.244 1
1 1291 . 5 1 1 A 107 107 ASN CA C 107 53.813 54.886 -1.073 1
1 1292 . 5 1 1 A 107 107 ASN HA H 107 4.841 4.631 0.210 1
1 1293 . 5 1 1 A 107 107 ASN CB C 107 39.785 38.503 1.282 1
1 1299 . 5 1 1 A 107 107 ASN C C 107 174.443 175.488 -1.045 1
1 1300 . 5 1 1 A 108 108 GLY N N 108 109.386 107.937 1.449 1
1 1301 . 5 1 1 A 108 108 GLY H H 108 7.667 7.843 -0.176 1
1 1302 . 5 1 1 A 108 108 GLY CA C 108 47.252 45.068 2.184 1
1 1303 . 5 1 1 A 108 108 GLY HA2 H 108 4.023 4.095 -0.072 1
1 1304 . 5 1 1 A 108 108 GLY HA3 H 108 4.023 4.101 -0.078 1
1 1305 . 5 1 1 A 108 108 GLY C C 108 174.436 174.471 -0.035 1
1 1306 . 5 1 1 A 109 109 VAL N N 109 122.758 121.130 1.628 1
1 1307 . 5 1 1 A 109 109 VAL H H 109 8.480 8.289 0.191 1
1 1308 . 5 1 1 A 109 109 VAL CA C 109 63.788 62.475 1.313 1
1 1309 . 5 1 1 A 109 109 VAL HA H 109 4.094 4.279 -0.185 1
1 1310 . 5 1 1 A 109 109 VAL CB C 109 32.931 31.017 1.914 1
1 1320 . 5 1 1 A 109 109 VAL C C 109 176.089 175.944 0.145 1
1 1321 . 5 1 1 A 110 110 THR N N 110 115.431 123.297 -7.866 1
1 1322 . 5 1 1 A 110 110 THR H H 110 8.995 8.857 0.138 1
1 1323 . 5 1 1 A 110 110 THR CA C 110 62.045 63.688 -1.643 1
1 1324 . 5 1 1 A 110 110 THR HA H 110 4.515 4.457 0.058 1
1 1325 . 5 1 1 A 110 110 THR CB C 110 70.758 70.019 0.739 1
1 1331 . 5 1 1 A 110 110 THR C C 110 173.700 173.749 -0.049 1
1 1332 . 5 1 1 A 111 111 ASP N N 111 123.757 120.334 3.423 1
1 1333 . 5 1 1 A 111 111 ASP H H 111 8.123 7.746 0.377 1
1 1334 . 5 1 1 A 111 111 ASP CA C 111 54.747 53.474 1.273 1
1 1335 . 5 1 1 A 111 111 ASP HA H 111 5.527 5.237 0.290 1
1 1336 . 5 1 1 A 111 111 ASP CB C 111 43.928 42.287 1.641 1
1 1339 . 5 1 1 A 111 111 ASP C C 111 172.807 175.225 -2.418 1
1 1340 . 5 1 1 A 112 112 LEU N N 112 123.145 125.824 -2.679 1
1 1341 . 5 1 1 A 112 112 LEU H H 112 8.671 8.533 0.138 1
1 1342 . 5 1 1 A 112 112 LEU CA C 112 52.953 53.770 -0.817 1
1 1343 . 5 1 1 A 112 112 LEU HA H 112 5.213 5.198 0.015 1
1 1344 . 5 1 1 A 112 112 LEU CB C 112 47.875 46.640 1.235 1
1 1357 . 5 1 1 A 112 112 LEU C C 112 176.803 174.430 2.373 1
1 1358 . 5 1 1 A 113 113 SER N N 113 122.973 118.752 4.221 1
1 1359 . 5 1 1 A 113 113 SER H H 113 9.473 8.733 0.740 1
1 1360 . 5 1 1 A 113 113 SER CA C 113 59.207 57.067 2.140 1
1 1361 . 5 1 1 A 113 113 SER HA H 113 6.070 5.521 0.549 1
1 1362 . 5 1 1 A 113 113 SER CB C 113 67.023 65.733 1.290 1
1 1365 . 5 1 1 A 113 113 SER C C 113 172.066 172.585 -0.519 1
1 1366 . 5 1 1 A 114 114 MET N N 114 118.476 122.472 -3.996 1
1 1367 . 5 1 1 A 114 114 MET H H 114 9.080 8.767 0.313 1
1 1368 . 5 1 1 A 114 114 MET CA C 114 54.007 53.279 0.728 1
1 1369 . 5 1 1 A 114 114 MET HA H 114 5.435 5.207 0.228 1
1 1370 . 5 1 1 A 114 114 MET CB C 114 34.867 35.288 -0.421 1
1 1380 . 5 1 1 A 114 114 MET C C 114 172.934 174.144 -1.210 1
1 1381 . 5 1 1 A 115 115 PRO CA C 115 62.262 62.297 -0.035 1
1 1382 . 5 1 1 A 115 115 PRO HA H 115 5.593 4.659 0.934 1
1 1383 . 5 1 1 A 115 115 PRO CB C 115 32.748 33.328 -0.580 1
1 1392 . 5 1 1 A 115 115 PRO C C 115 175.547 175.753 -0.206 1
1 1393 . 5 1 1 A 116 116 ARG N N 116 116.821 120.788 -3.967 1
1 1394 . 5 1 1 A 116 116 ARG H H 116 8.348 8.460 -0.112 1
1 1395 . 5 1 1 A 116 116 ARG CA C 116 55.785 55.937 -0.152 1
1 1396 . 5 1 1 A 116 116 ARG HA H 116 3.896 4.246 -0.350 1
1 1397 . 5 1 1 A 116 116 ARG CB C 116 27.344 30.500 -3.156 1
1 1406 . 5 1 1 A 116 116 ARG C C 116 176.796 176.083 0.713 1
1 1407 . 5 1 1 A 117 117 ILE N N 117 122.887 119.843 3.044 1
1 1408 . 5 1 1 A 117 117 ILE H H 117 7.989 8.676 -0.687 1
1 1409 . 5 1 1 A 117 117 ILE CA C 117 63.148 59.053 4.095 1
1 1410 . 5 1 1 A 117 117 ILE HA H 117 4.028 4.860 -0.832 1
1 1411 . 5 1 1 A 117 117 ILE CB C 117 40.010 40.504 -0.494 1
1 1424 . 5 1 1 A 117 117 ILE C C 117 174.324 175.693 -1.369 1
1 1425 . 5 1 1 A 118 118 GLY N N 118 107.320 111.876 -4.556 1
1 1426 . 5 1 1 A 118 118 GLY H H 118 8.662 8.691 -0.029 1
1 1427 . 5 1 1 A 118 118 GLY CA C 118 45.752 45.407 0.345 1
1 1428 . 5 1 1 A 118 118 GLY HA2 H 118 3.693 4.229 -0.536 1
1 1429 . 5 1 1 A 118 118 GLY HA3 H 118 4.226 4.283 -0.057 1
1 1430 . 5 1 1 A 118 118 GLY C C 118 172.861 174.759 -1.898 1
1 1431 . 5 1 1 A 119 119 CYS N N 119 115.336 119.784 -4.448 1
1 1432 . 5 1 1 A 119 119 CYS H H 119 7.445 8.095 -0.650 1
1 1433 . 5 1 1 A 119 119 CYS CA C 119 58.753 60.436 -1.683 1
1 1434 . 5 1 1 A 119 119 CYS HA H 119 4.831 4.203 0.628 1
1 1435 . 5 1 1 A 119 119 CYS CB C 119 28.840 27.712 1.128 1
1 1438 . 5 1 1 A 121 121 LEU CA C 121 57.692 57.690 0.002 1
1 1439 . 5 1 1 A 121 121 LEU HA H 121 4.152 4.004 0.148 1
1 1440 . 5 1 1 A 121 121 LEU CB C 121 41.644 41.867 -0.223 1
1 1453 . 5 1 1 A 123 123 ARG N N 123 107.909 119.836 -11.927 1
1 1454 . 5 1 1 A 123 123 ARG H H 123 7.536 8.062 -0.526 1
1 1455 . 5 1 1 A 123 123 ARG CA C 123 57.775 59.394 -1.619 1
1 1456 . 5 1 1 A 123 123 ARG HA H 123 3.989 3.990 -0.001 1
1 1457 . 5 1 1 A 123 123 ARG CB C 123 28.219 30.395 -2.176 1
1 1466 . 5 1 1 A 123 123 ARG C C 123 176.088 175.444 0.644 1
1 1467 . 5 1 1 A 124 124 LEU N N 124 118.876 119.126 -0.250 1
1 1468 . 5 1 1 A 124 124 LEU H H 124 8.401 7.595 0.806 1
1 1469 . 5 1 1 A 124 124 LEU CA C 124 54.573 53.120 1.453 1
1 1470 . 5 1 1 A 124 124 LEU HA H 124 4.533 5.015 -0.482 1
1 1471 . 5 1 1 A 124 124 LEU CB C 124 39.785 45.744 -5.959 1
1 1484 . 5 1 1 A 124 124 LEU C C 124 175.551 175.809 -0.258 1
1 1485 . 5 1 1 A 125 125 GLN N N 125 116.713 119.664 -2.951 1
1 1486 . 5 1 1 A 125 125 GLN H H 125 7.779 8.526 -0.747 1
1 1487 . 5 1 1 A 125 125 GLN CA C 125 54.609 54.357 0.252 1
1 1488 . 5 1 1 A 125 125 GLN HA H 125 4.794 4.978 -0.184 1
1 1489 . 5 1 1 A 125 125 GLN CB C 125 30.327 32.310 -1.983 1
1 1498 . 5 1 1 A 125 125 GLN C C 125 177.722 176.089 1.633 1
1 1499 . 5 1 1 A 126 126 TRP N N 126 128.887 125.483 3.404 1
1 1500 . 5 1 1 A 126 126 TRP H H 126 9.755 9.145 0.610 1
1 1501 . 5 1 1 A 126 126 TRP CA C 126 59.962 61.303 -1.341 1
1 1502 . 5 1 1 A 126 126 TRP HA H 126 4.545 4.242 0.303 1
1 1503 . 5 1 1 A 126 126 TRP CB C 126 30.009 30.216 -0.207 1
1 1518 . 5 1 1 A 126 126 TRP C C 126 177.057 178.063 -1.006 1
1 1519 . 5 1 1 A 127 127 GLU N N 127 119.568 118.492 1.076 1
1 1520 . 5 1 1 A 127 127 GLU H H 127 9.946 8.431 1.515 1
1 1521 . 5 1 1 A 127 127 GLU CA C 127 60.623 59.857 0.766 1
1 1522 . 5 1 1 A 127 127 GLU HA H 127 3.780 3.850 -0.070 1
1 1523 . 5 1 1 A 127 127 GLU CB C 127 28.594 29.148 -0.554 1
1 1529 . 5 1 1 A 127 127 GLU C C 127 177.905 178.833 -0.928 1
1 1530 . 5 1 1 A 128 128 ASN N N 128 115.229 117.095 -1.866 1
1 1531 . 5 1 1 A 128 128 ASN H H 128 7.159 7.732 -0.573 1
1 1532 . 5 1 1 A 128 128 ASN CA C 128 55.370 55.755 -0.385 1
1 1533 . 5 1 1 A 128 128 ASN HA H 128 4.446 4.416 0.030 1
1 1534 . 5 1 1 A 128 128 ASN CB C 128 38.522 38.395 0.127 1
1 1540 . 5 1 1 A 128 128 ASN C C 128 177.374 177.641 -0.267 1
1 1541 . 5 1 1 A 129 129 VAL N N 129 122.487 120.182 2.305 1
1 1542 . 5 1 1 A 129 129 VAL H H 129 8.033 7.763 0.270 1
1 1543 . 5 1 1 A 129 129 VAL CA C 129 67.289 66.818 0.471 1
1 1544 . 5 1 1 A 129 129 VAL HA H 129 3.489 3.500 -0.011 1
1 1545 . 5 1 1 A 129 129 VAL CB C 129 31.824 31.408 0.416 1
1 1555 . 5 1 1 A 129 129 VAL C C 129 177.209 177.420 -0.211 1
1 1556 . 5 1 1 A 130 130 SER N N 130 115.189 113.562 1.627 1
1 1557 . 5 1 1 A 130 130 SER H H 130 8.550 8.009 0.541 1
1 1558 . 5 1 1 A 130 130 SER CA C 130 61.477 60.771 0.706 1
1 1559 . 5 1 1 A 130 130 SER HA H 130 3.151 3.573 -0.422 1
1 1560 . 5 1 1 A 130 130 SER CB C 130 61.348 61.852 -0.504 1
1 1563 . 5 1 1 A 130 130 SER C C 130 175.971 176.664 -0.693 1
1 1564 . 5 1 1 A 131 131 ALA N N 131 123.596 124.120 -0.524 1
1 1565 . 5 1 1 A 131 131 ALA H H 131 6.551 7.825 -1.274 1
1 1566 . 5 1 1 A 131 131 ALA CA C 131 54.947 55.041 -0.094 1
1 1567 . 5 1 1 A 131 131 ALA HA H 131 4.079 3.946 0.133 1
1 1568 . 5 1 1 A 131 131 ALA CB C 131 18.023 18.136 -0.113 1
1 1572 . 5 1 1 A 131 131 ALA C C 131 179.947 179.968 -0.021 1
1 1573 . 5 1 1 A 132 132 MET N N 132 119.410 116.469 2.941 1
1 1574 . 5 1 1 A 132 132 MET H H 132 7.442 8.050 -0.608 1
1 1575 . 5 1 1 A 132 132 MET CA C 132 58.917 58.643 0.274 1
1 1576 . 5 1 1 A 132 132 MET HA H 132 4.118 4.114 0.004 1
1 1577 . 5 1 1 A 132 132 MET CB C 132 33.984 32.237 1.747 1
1 1587 . 5 1 1 A 132 132 MET C C 132 178.019 178.990 -0.971 1
1 1588 . 5 1 1 A 133 133 ILE N N 133 120.265 120.547 -0.282 1
1 1589 . 5 1 1 A 133 133 ILE H H 133 8.554 7.784 0.770 1
1 1590 . 5 1 1 A 133 133 ILE CA C 133 66.859 64.569 2.290 1
1 1591 . 5 1 1 A 133 133 ILE HA H 133 3.470 3.865 -0.395 1
1 1592 . 5 1 1 A 133 133 ILE CB C 133 38.240 36.909 1.331 1
1 1605 . 5 1 1 A 133 133 ILE C C 133 177.949 178.556 -0.607 1
1 1606 . 5 1 1 A 134 134 GLU N N 134 117.011 121.938 -4.927 1
1 1607 . 5 1 1 A 134 134 GLU H H 134 8.106 8.453 -0.347 1
1 1608 . 5 1 1 A 134 134 GLU CA C 134 59.844 58.956 0.888 1
1 1609 . 5 1 1 A 134 134 GLU HA H 134 3.919 4.159 -0.240 1
1 1610 . 5 1 1 A 134 134 GLU CB C 134 29.024 29.764 -0.740 1
1 1616 . 5 1 1 A 134 134 GLU C C 134 178.982 178.676 0.306 1
1 1617 . 5 1 1 A 135 135 GLU N N 135 118.619 118.536 0.083 1
1 1618 . 5 1 1 A 135 135 GLU H H 135 7.848 8.412 -0.564 1
1 1619 . 5 1 1 A 135 135 GLU CA C 135 59.438 58.619 0.819 1
1 1620 . 5 1 1 A 135 135 GLU HA H 135 4.090 4.130 -0.040 1
1 1621 . 5 1 1 A 135 135 GLU CB C 135 29.948 28.641 1.307 1
1 1627 . 5 1 1 A 135 135 GLU C C 135 179.547 178.198 1.349 1
1 1628 . 5 1 1 A 136 136 VAL N N 136 119.915 120.534 -0.619 1
1 1629 . 5 1 1 A 136 136 VAL H H 136 8.793 7.616 1.177 1
1 1630 . 5 1 1 A 136 136 VAL CA C 136 66.122 64.985 1.137 1
1 1631 . 5 1 1 A 136 136 VAL HA H 136 3.578 3.784 -0.206 1
1 1632 . 5 1 1 A 136 136 VAL CB C 136 31.990 32.284 -0.294 1
1 1642 . 5 1 1 A 136 136 VAL C C 136 177.646 177.168 0.478 1
1 1643 . 5 1 1 A 137 137 PHE N N 137 111.913 117.409 -5.496 1
1 1644 . 5 1 1 A 137 137 PHE H H 137 8.009 7.586 0.423 1
1 1645 . 5 1 1 A 137 137 PHE CA C 137 59.545 59.090 0.455 1
1 1646 . 5 1 1 A 137 137 PHE HA H 137 4.197 4.495 -0.298 1
1 1647 . 5 1 1 A 137 137 PHE CB C 137 38.105 38.746 -0.641 1
1 1660 . 5 1 1 A 138 138 GLU N N 138 123.997 119.253 4.744 1
1 1661 . 5 1 1 A 138 138 GLU H H 138 7.268 8.370 -1.102 1
1 1662 . 5 1 1 A 138 138 GLU CA C 138 59.222 58.779 0.443 1
1 1663 . 5 1 1 A 138 138 GLU HA H 138 4.161 4.167 -0.006 1
1 1664 . 5 1 1 A 138 138 GLU CB C 138 29.644 28.882 0.762 1
1 1670 . 5 1 1 A 139 139 ALA N N 139 121.713 121.090 0.623 1
1 1671 . 5 1 1 A 139 139 ALA H H 139 8.830 7.811 1.019 1
1 1672 . 5 1 1 A 139 139 ALA CA C 139 52.894 51.086 1.808 1
1 1673 . 5 1 1 A 139 139 ALA HA H 139 4.334 4.468 -0.134 1
1 1674 . 5 1 1 A 139 139 ALA CB C 139 17.362 19.116 -1.754 1
1 1678 . 5 1 1 A 139 139 ALA C C 139 176.943 176.021 0.922 1
1 1679 . 5 1 1 A 140 140 THR N N 140 107.901 109.605 -1.704 1
1 1680 . 5 1 1 A 140 140 THR H H 140 7.809 7.770 0.039 1
1 1681 . 5 1 1 A 140 140 THR CA C 140 61.013 60.447 0.566 1
1 1682 . 5 1 1 A 140 140 THR HA H 140 4.164 4.816 -0.652 1
1 1683 . 5 1 1 A 140 140 THR CB C 140 72.698 71.830 0.868 1
1 1689 . 5 1 1 A 140 140 THR C C 140 174.222 172.580 1.642 1
1 1690 . 5 1 1 A 141 141 ASP N N 141 120.212 121.566 -1.354 1
1 1691 . 5 1 1 A 141 141 ASP H H 141 8.959 8.812 0.147 1
1 1692 . 5 1 1 A 141 141 ASP CA C 141 53.333 52.871 0.462 1
1 1693 . 5 1 1 A 141 141 ASP HA H 141 4.991 5.020 -0.029 1
1 1694 . 5 1 1 A 141 141 ASP CB C 141 40.660 41.625 -0.965 1
1 1697 . 5 1 1 A 141 141 ASP C C 141 175.403 175.223 0.180 1
1 1698 . 5 1 1 A 142 142 ILE N N 142 120.815 120.738 0.077 1
1 1699 . 5 1 1 A 142 142 ILE H H 142 7.444 7.633 -0.189 1
1 1700 . 5 1 1 A 142 142 ILE CA C 142 62.338 59.904 2.434 1
1 1701 . 5 1 1 A 142 142 ILE HA H 142 4.131 4.644 -0.513 1
1 1702 . 5 1 1 A 142 142 ILE CB C 142 38.703 40.520 -1.817 1
1 1715 . 5 1 1 A 142 142 ILE C C 142 175.399 174.585 0.814 1
1 1716 . 5 1 1 A 143 143 LYS N N 143 129.106 126.269 2.837 1
1 1717 . 5 1 1 A 143 143 LYS H H 143 8.588 9.260 -0.672 1
1 1718 . 5 1 1 A 143 143 LYS CA C 143 55.725 54.945 0.780 1
1 1719 . 5 1 1 A 143 143 LYS HA H 143 4.444 4.927 -0.483 1
1 1720 . 5 1 1 A 143 143 LYS CB C 143 33.768 34.800 -1.032 1
1 1732 . 5 1 1 A 143 143 LYS C C 143 174.820 175.830 -1.010 1
1 1733 . 5 1 1 A 144 144 ILE N N 144 122.496 123.802 -1.306 1
1 1734 . 5 1 1 A 144 144 ILE H H 144 7.884 8.657 -0.773 1
1 1735 . 5 1 1 A 144 144 ILE CA C 144 59.861 59.589 0.272 1
1 1736 . 5 1 1 A 144 144 ILE HA H 144 4.937 4.996 -0.059 1
1 1737 . 5 1 1 A 144 144 ILE CB C 144 40.518 41.255 -0.737 1
1 1750 . 5 1 1 A 144 144 ILE C C 144 175.232 174.920 0.312 1
1 1751 . 5 1 1 A 145 145 THR N N 145 126.667 121.928 4.739 1
1 1752 . 5 1 1 A 145 145 THR H H 145 9.100 8.301 0.799 1
1 1753 . 5 1 1 A 145 145 THR CA C 145 61.374 61.624 -0.250 1
1 1754 . 5 1 1 A 145 145 THR HA H 145 4.992 4.783 0.209 1
1 1755 . 5 1 1 A 145 145 THR CB C 145 68.907 72.116 -3.209 1
1 1761 . 5 1 1 A 145 145 THR C C 145 173.158 173.237 -0.079 1
1 1762 . 5 1 1 A 146 146 VAL N N 146 127.717 126.724 0.993 1
1 1763 . 5 1 1 A 146 146 VAL H H 146 8.818 9.098 -0.280 1
1 1764 . 5 1 1 A 146 146 VAL CA C 146 59.930 60.951 -1.021 1
1 1765 . 5 1 1 A 146 146 VAL HA H 146 5.053 4.871 0.182 1
1 1766 . 5 1 1 A 146 146 VAL CB C 146 32.906 33.283 -0.377 1
1 1776 . 5 1 1 A 146 146 VAL C C 146 175.653 174.863 0.790 1
1 1777 . 5 1 1 A 147 147 TYR N N 147 129.304 126.820 2.484 1
1 1778 . 5 1 1 A 147 147 TYR H H 147 8.926 9.090 -0.164 1
1 1779 . 5 1 1 A 147 147 TYR CA C 147 57.290 56.662 0.628 1
1 1780 . 5 1 1 A 147 147 TYR HA H 147 5.283 5.381 -0.098 1
1 1781 . 5 1 1 A 147 147 TYR CB C 147 40.422 40.424 -0.002 1
1 1792 . 5 1 1 A 147 147 TYR C C 147 177.250 175.140 2.110 1
1 1793 . 5 1 1 A 148 148 THR N N 148 116.883 115.249 1.634 1
1 1794 . 5 1 1 A 148 148 THR H H 148 8.607 9.191 -0.584 1
1 1795 . 5 1 1 A 148 148 THR CA C 148 61.560 60.488 1.072 1
1 1796 . 5 1 1 A 148 148 THR HA H 148 4.431 5.350 -0.919 1
1 1797 . 5 1 1 A 148 148 THR CB C 148 70.966 70.808 0.158 1
1 1803 . 5 1 1 A 148 148 THR C C 148 172.797 174.117 -1.320 1
1 1 . 6 1 1 A 5 5 SER CA C 5 58.376 57.763 0.613 1
1 2 . 6 1 1 A 5 5 SER HA H 5 4.528 5.033 -0.505 1
1 3 . 6 1 1 A 5 5 SER CB C 5 63.813 63.243 0.570 1
1 5 . 6 1 1 A 5 5 SER C C 5 174.968 173.088 1.880 1
1 6 . 6 1 1 A 6 6 SER N N 6 117.996 119.823 -1.827 1
1 7 . 6 1 1 A 6 6 SER H H 6 8.503 8.386 0.117 1
1 8 . 6 1 1 A 6 6 SER CA C 6 58.642 58.082 0.560 1
1 9 . 6 1 1 A 6 6 SER HA H 6 4.526 4.848 -0.322 1
1 10 . 6 1 1 A 6 6 SER CB C 6 63.855 66.442 -2.587 1
1 13 . 6 1 1 A 6 6 SER C C 6 175.129 175.002 0.127 1
1 14 . 6 1 1 A 7 7 GLY N N 7 110.904 112.713 -1.809 1
1 15 . 6 1 1 A 7 7 GLY H H 7 8.470 8.833 -0.363 1
1 16 . 6 1 1 A 7 7 GLY CA C 7 45.430 47.575 -2.145 1
1 17 . 6 1 1 A 7 7 GLY HA2 H 7 4.030 3.825 0.205 1
1 18 . 6 1 1 A 7 7 GLY HA3 H 7 4.030 3.826 0.204 1
1 19 . 6 1 1 A 7 7 GLY C C 7 174.606 175.373 -0.767 1
1 20 . 6 1 1 A 8 8 GLY N N 8 108.942 107.503 1.439 1
1 21 . 6 1 1 A 8 8 GLY H H 8 8.286 7.620 0.666 1
1 22 . 6 1 1 A 8 8 GLY CA C 8 45.058 45.180 -0.122 1
1 23 . 6 1 1 A 8 8 GLY HA2 H 8 4.027 4.037 -0.010 1
1 24 . 6 1 1 A 8 8 GLY HA3 H 8 4.199 4.044 0.155 1
1 25 . 6 1 1 A 8 8 GLY C C 8 173.943 174.515 -0.572 1
1 26 . 6 1 1 A 9 9 SER N N 9 115.435 115.544 -0.109 1
1 27 . 6 1 1 A 9 9 SER H H 9 8.275 8.163 0.112 1
1 28 . 6 1 1 A 9 9 SER CA C 9 57.847 58.645 -0.798 1
1 29 . 6 1 1 A 9 9 SER HA H 9 4.616 4.343 0.273 1
1 30 . 6 1 1 A 9 9 SER CB C 9 64.102 63.997 0.105 1
1 33 . 6 1 1 A 9 9 SER C C 9 174.962 175.857 -0.895 1
1 34 . 6 1 1 A 10 10 ARG N N 10 126.156 127.184 -1.028 1
1 35 . 6 1 1 A 10 10 ARG H H 10 9.427 8.644 0.783 1
1 36 . 6 1 1 A 10 10 ARG CA C 10 56.662 59.403 -2.741 1
1 37 . 6 1 1 A 10 10 ARG HA H 10 4.332 3.942 0.390 1
1 38 . 6 1 1 A 10 10 ARG CB C 10 30.289 29.942 0.347 1
1 49 . 6 1 1 A 10 10 ARG C C 10 175.504 177.235 -1.731 1
1 50 . 6 1 1 A 11 11 ILE N N 11 119.127 120.104 -0.977 1
1 51 . 6 1 1 A 11 11 ILE H H 11 8.176 7.234 0.942 1
1 52 . 6 1 1 A 11 11 ILE CA C 11 61.153 61.981 -0.828 1
1 53 . 6 1 1 A 11 11 ILE HA H 11 4.553 3.875 0.678 1
1 54 . 6 1 1 A 11 11 ILE CB C 11 39.949 37.502 2.447 1
1 67 . 6 1 1 A 11 11 ILE C C 11 176.134 175.307 0.827 1
1 68 . 6 1 1 A 12 12 THR N N 12 124.682 122.632 2.050 1
1 69 . 6 1 1 A 12 12 THR H H 12 8.534 8.700 -0.166 1
1 70 . 6 1 1 A 12 12 THR CA C 12 61.630 60.918 0.712 1
1 71 . 6 1 1 A 12 12 THR HA H 12 4.359 4.402 -0.043 1
1 72 . 6 1 1 A 12 12 THR CB C 12 70.705 71.787 -1.082 1
1 78 . 6 1 1 A 12 12 THR C C 12 171.804 172.624 -0.820 1
1 79 . 6 1 1 A 13 13 TYR N N 13 124.043 125.519 -1.476 1
1 80 . 6 1 1 A 13 13 TYR H H 13 8.691 8.582 0.109 1
1 81 . 6 1 1 A 13 13 TYR CA C 13 57.846 57.315 0.531 1
1 82 . 6 1 1 A 13 13 TYR HA H 13 5.099 5.382 -0.283 1
1 83 . 6 1 1 A 13 13 TYR CB C 13 39.895 39.922 -0.027 1
1 94 . 6 1 1 A 13 13 TYR C C 13 175.924 175.642 0.282 1
1 95 . 6 1 1 A 14 14 VAL N N 14 124.012 122.983 1.029 1
1 96 . 6 1 1 A 14 14 VAL H H 14 8.633 8.883 -0.250 1
1 97 . 6 1 1 A 14 14 VAL CA C 14 60.958 60.267 0.691 1
1 98 . 6 1 1 A 14 14 VAL HA H 14 4.015 4.744 -0.729 1
1 99 . 6 1 1 A 14 14 VAL CB C 14 35.416 34.737 0.679 1
1 109 . 6 1 1 A 14 14 VAL C C 14 173.974 173.637 0.337 1
1 110 . 6 1 1 A 15 15 LYS N N 15 127.960 126.134 1.826 1
1 111 . 6 1 1 A 15 15 LYS H H 15 8.318 8.746 -0.428 1
1 112 . 6 1 1 A 15 15 LYS CA C 15 54.152 54.925 -0.773 1
1 113 . 6 1 1 A 15 15 LYS HA H 15 5.126 5.007 0.119 1
1 114 . 6 1 1 A 15 15 LYS CB C 15 32.086 34.548 -2.462 1
1 126 . 6 1 1 A 15 15 LYS C C 15 176.050 175.216 0.834 1
1 127 . 6 1 1 A 16 16 GLY N N 16 114.545 112.576 1.969 1
1 128 . 6 1 1 A 16 16 GLY H H 16 8.508 8.279 0.229 1
1 129 . 6 1 1 A 16 16 GLY CA C 16 45.006 43.992 1.014 1
1 130 . 6 1 1 A 16 16 GLY HA2 H 16 4.028 4.111 -0.083 1
1 131 . 6 1 1 A 16 16 GLY HA3 H 16 4.197 4.140 0.057 1
1 132 . 6 1 1 A 16 16 GLY C C 16 170.957 173.240 -2.283 1
1 133 . 6 1 1 A 17 17 ASP N N 17 119.423 119.650 -0.227 1
1 134 . 6 1 1 A 17 17 ASP H H 17 8.271 8.351 -0.080 1
1 135 . 6 1 1 A 17 17 ASP CA C 17 53.164 54.053 -0.889 1
1 136 . 6 1 1 A 17 17 ASP HA H 17 4.407 4.566 -0.159 1
1 137 . 6 1 1 A 17 17 ASP CB C 17 41.912 41.375 0.537 1
1 140 . 6 1 1 A 17 17 ASP C C 17 176.089 175.837 0.252 1
1 141 . 6 1 1 A 18 18 LEU N N 18 130.056 122.704 7.352 1
1 142 . 6 1 1 A 18 18 LEU H H 18 8.304 8.564 -0.260 1
1 143 . 6 1 1 A 18 18 LEU CA C 18 57.156 55.413 1.743 1
1 144 . 6 1 1 A 18 18 LEU HA H 18 2.425 3.682 -1.257 1
1 145 . 6 1 1 A 18 18 LEU CB C 18 42.959 43.844 -0.885 1
1 158 . 6 1 1 A 18 18 LEU C C 18 175.737 177.755 -2.018 1
1 159 . 6 1 1 A 19 19 PHE N N 19 109.678 117.172 -7.494 1
1 160 . 6 1 1 A 19 19 PHE H H 19 7.461 7.406 0.055 1
1 161 . 6 1 1 A 19 19 PHE CA C 19 59.844 60.191 -0.347 1
1 162 . 6 1 1 A 19 19 PHE HA H 19 3.920 4.277 -0.357 1
1 163 . 6 1 1 A 19 19 PHE CB C 19 36.735 39.978 -3.243 1
1 176 . 6 1 1 A 19 19 PHE C C 19 175.833 177.974 -2.141 1
1 177 . 6 1 1 A 20 20 ALA N N 20 123.506 122.170 1.336 1
1 178 . 6 1 1 A 20 20 ALA H H 20 7.752 8.128 -0.376 1
1 179 . 6 1 1 A 20 20 ALA CA C 20 51.160 54.962 -3.802 1
1 180 . 6 1 1 A 20 20 ALA HA H 20 4.518 4.083 0.435 1
1 181 . 6 1 1 A 20 20 ALA CB C 20 18.395 18.358 0.037 1
1 185 . 6 1 1 A 20 20 ALA C C 20 176.772 179.609 -2.837 1
1 186 . 6 1 1 A 21 21 CYS N N 21 118.823 117.138 1.685 1
1 187 . 6 1 1 A 21 21 CYS H H 21 7.225 8.159 -0.934 1
1 188 . 6 1 1 A 21 21 CYS CA C 21 56.813 63.610 -6.797 1
1 189 . 6 1 1 A 21 21 CYS HA H 21 4.580 4.160 0.420 1
1 190 . 6 1 1 A 21 21 CYS CB C 21 25.916 27.142 -1.226 1
1 193 . 6 1 1 A 21 21 CYS C C 21 170.919 175.164 -4.245 1
1 194 . 6 1 1 A 22 22 PRO CA C 22 64.000 62.621 1.379 1
1 195 . 6 1 1 A 22 22 PRO HA H 22 4.373 4.468 -0.095 1
1 196 . 6 1 1 A 22 22 PRO CB C 22 31.802 33.344 -1.542 1
1 205 . 6 1 1 A 22 22 PRO C C 22 178.609 176.428 2.181 1
1 206 . 6 1 1 A 23 23 LYS N N 23 122.870 119.783 3.087 1
1 207 . 6 1 1 A 23 23 LYS H H 23 8.785 8.927 -0.142 1
1 208 . 6 1 1 A 23 23 LYS CA C 23 58.671 56.901 1.770 1
1 209 . 6 1 1 A 23 23 LYS HA H 23 4.103 4.541 -0.438 1
1 210 . 6 1 1 A 23 23 LYS CB C 23 32.078 35.105 -3.027 1
1 222 . 6 1 1 A 23 23 LYS C C 23 175.722 178.035 -2.313 1
1 223 . 6 1 1 A 24 24 THR N N 24 102.744 105.552 -2.808 1
1 224 . 6 1 1 A 24 24 THR H H 24 7.097 7.490 -0.393 1
1 225 . 6 1 1 A 24 24 THR CA C 24 61.064 61.607 -0.543 1
1 226 . 6 1 1 A 24 24 THR HA H 24 4.166 4.566 -0.400 1
1 227 . 6 1 1 A 24 24 THR CB C 24 68.805 70.613 -1.808 1
1 233 . 6 1 1 A 24 24 THR C C 24 176.216 174.561 1.655 1
1 234 . 6 1 1 A 25 25 ASP N N 25 125.303 124.565 0.738 1
1 235 . 6 1 1 A 25 25 ASP H H 25 7.768 7.691 0.077 1
1 236 . 6 1 1 A 25 25 ASP CA C 25 55.246 55.266 -0.020 1
1 237 . 6 1 1 A 25 25 ASP HA H 25 4.536 4.828 -0.292 1
1 238 . 6 1 1 A 25 25 ASP CB C 25 40.321 40.957 -0.636 1
1 241 . 6 1 1 A 25 25 ASP C C 25 177.718 175.657 2.061 1
1 242 . 6 1 1 A 26 26 SER N N 26 118.303 118.516 -0.213 1
1 243 . 6 1 1 A 26 26 SER H H 26 8.472 8.247 0.225 1
1 244 . 6 1 1 A 26 26 SER CA C 26 61.547 58.216 3.331 1
1 245 . 6 1 1 A 26 26 SER HA H 26 5.138 4.756 0.382 1
1 246 . 6 1 1 A 26 26 SER CB C 26 65.326 64.858 0.468 1
1 249 . 6 1 1 A 26 26 SER C C 26 172.446 173.501 -1.055 1
1 250 . 6 1 1 A 27 27 LEU N N 27 121.957 122.370 -0.413 1
1 251 . 6 1 1 A 27 27 LEU H H 27 8.553 8.281 0.272 1
1 252 . 6 1 1 A 27 27 LEU CA C 27 53.919 53.575 0.344 1
1 253 . 6 1 1 A 27 27 LEU HA H 27 6.004 5.606 0.398 1
1 254 . 6 1 1 A 27 27 LEU CB C 27 48.728 45.554 3.174 1
1 267 . 6 1 1 A 27 27 LEU C C 27 176.071 176.366 -0.295 1
1 268 . 6 1 1 A 28 28 ALA N N 28 119.120 123.421 -4.301 1
1 269 . 6 1 1 A 28 28 ALA H H 28 8.083 8.408 -0.325 1
1 270 . 6 1 1 A 28 28 ALA CA C 28 50.738 51.772 -1.034 1
1 271 . 6 1 1 A 28 28 ALA HA H 28 5.833 5.377 0.456 1
1 272 . 6 1 1 A 28 28 ALA CB C 28 24.493 21.058 3.435 1
1 276 . 6 1 1 A 28 28 ALA C C 28 174.396 175.746 -1.350 1
1 277 . 6 1 1 A 29 29 HIS N N 29 111.296 124.081 -12.785 1
1 278 . 6 1 1 A 29 29 HIS H H 29 8.042 8.605 -0.563 1
1 279 . 6 1 1 A 29 29 HIS CA C 29 55.617 54.345 1.272 1
1 280 . 6 1 1 A 29 29 HIS HA H 29 4.552 5.167 -0.615 1
1 281 . 6 1 1 A 29 29 HIS CB C 29 31.644 32.889 -1.245 1
1 288 . 6 1 1 A 29 29 HIS C C 29 172.453 173.137 -0.684 1
1 289 . 6 1 1 A 30 30 CYS N N 30 115.842 120.335 -4.493 1
1 290 . 6 1 1 A 30 30 CYS H H 30 8.182 7.682 0.500 1
1 291 . 6 1 1 A 30 30 CYS CA C 30 57.610 56.953 0.657 1
1 292 . 6 1 1 A 30 30 CYS HA H 30 5.489 5.566 -0.077 1
1 293 . 6 1 1 A 30 30 CYS CB C 30 30.518 29.730 0.788 1
1 296 . 6 1 1 A 30 30 CYS C C 30 175.085 174.019 1.066 1
1 297 . 6 1 1 A 31 31 ILE N N 31 117.447 121.077 -3.630 1
1 298 . 6 1 1 A 31 31 ILE H H 31 9.209 9.014 0.195 1
1 299 . 6 1 1 A 31 31 ILE CA C 31 60.057 58.871 1.186 1
1 300 . 6 1 1 A 31 31 ILE HA H 31 4.816 5.110 -0.294 1
1 301 . 6 1 1 A 31 31 ILE CB C 31 43.206 42.645 0.561 1
1 314 . 6 1 1 A 31 31 ILE C C 31 173.249 174.619 -1.370 1
1 315 . 6 1 1 A 32 32 SER N N 32 111.596 119.535 -7.939 1
1 316 . 6 1 1 A 32 32 SER H H 32 7.858 8.897 -1.039 1
1 317 . 6 1 1 A 32 32 SER CA C 32 55.599 57.584 -1.985 1
1 318 . 6 1 1 A 32 32 SER HA H 32 5.139 4.934 0.205 1
1 319 . 6 1 1 A 32 32 SER CB C 32 66.377 64.966 1.411 1
1 322 . 6 1 1 A 32 32 SER C C 32 176.120 175.544 0.576 1
1 323 . 6 1 1 A 33 33 GLU N N 33 118.525 124.817 -6.292 1
1 324 . 6 1 1 A 33 33 GLU H H 33 8.189 8.756 -0.567 1
1 325 . 6 1 1 A 33 33 GLU CA C 33 59.273 59.410 -0.137 1
1 326 . 6 1 1 A 33 33 GLU HA H 33 3.759 3.994 -0.235 1
1 327 . 6 1 1 A 33 33 GLU CB C 33 30.553 29.239 1.314 1
1 333 . 6 1 1 A 33 33 GLU C C 33 177.446 177.624 -0.178 1
1 334 . 6 1 1 A 34 34 ASP N N 34 113.498 116.802 -3.304 1
1 335 . 6 1 1 A 34 34 ASP H H 34 7.480 7.866 -0.386 1
1 336 . 6 1 1 A 34 34 ASP CA C 34 54.511 53.818 0.693 1
1 337 . 6 1 1 A 34 34 ASP HA H 34 4.342 4.789 -0.447 1
1 338 . 6 1 1 A 34 34 ASP CB C 34 40.374 40.601 -0.227 1
1 341 . 6 1 1 A 34 34 ASP C C 34 175.854 175.671 0.183 1
1 342 . 6 1 1 A 35 35 CYS N N 35 111.837 116.390 -4.553 1
1 343 . 6 1 1 A 35 35 CYS H H 35 8.327 7.998 0.329 1
1 344 . 6 1 1 A 35 35 CYS CA C 35 61.093 59.941 1.152 1
1 345 . 6 1 1 A 35 35 CYS HA H 35 3.772 4.166 -0.394 1
1 346 . 6 1 1 A 35 35 CYS CB C 35 25.679 25.524 0.155 1
1 349 . 6 1 1 A 35 35 CYS C C 35 173.370 174.010 -0.640 1
1 350 . 6 1 1 A 36 36 ARG N N 36 117.440 121.231 -3.791 1
1 351 . 6 1 1 A 36 36 ARG H H 36 7.473 7.879 -0.406 1
1 352 . 6 1 1 A 36 36 ARG CA C 36 57.988 55.811 2.177 1
1 353 . 6 1 1 A 36 36 ARG HA H 36 3.981 4.450 -0.469 1
1 354 . 6 1 1 A 36 36 ARG CB C 36 30.430 30.357 0.073 1
1 363 . 6 1 1 A 36 36 ARG C C 36 177.233 175.884 1.349 1
1 364 . 6 1 1 A 37 37 MET CA C 37 56.118 54.840 1.278 1
1 365 . 6 1 1 A 37 37 MET HA H 37 4.036 4.873 -0.837 1
1 373 . 6 1 1 A 38 38 GLY H H 38 8.192 8.178 0.014 1
1 374 . 6 1 1 A 38 38 GLY CA C 38 45.670 46.287 -0.617 1
1 375 . 6 1 1 A 38 38 GLY HA2 H 38 4.220 3.993 0.227 1
1 376 . 6 1 1 A 38 38 GLY HA3 H 38 3.595 3.993 -0.398 1
1 377 . 6 1 1 A 38 38 GLY C C 38 173.799 173.281 0.518 1
1 378 . 6 1 1 A 39 39 ALA N N 39 122.002 122.528 -0.526 1
1 379 . 6 1 1 A 39 39 ALA H H 39 7.697 7.795 -0.098 1
1 380 . 6 1 1 A 39 39 ALA CA C 39 51.019 51.765 -0.746 1
1 381 . 6 1 1 A 39 39 ALA HA H 39 4.678 4.641 0.037 1
1 382 . 6 1 1 A 39 39 ALA CB C 39 22.608 22.115 0.493 1
1 386 . 6 1 1 A 39 39 ALA C C 39 176.769 177.239 -0.470 1
1 387 . 6 1 1 A 40 40 GLY N N 40 107.149 112.460 -5.311 1
1 388 . 6 1 1 A 40 40 GLY H H 40 8.731 8.938 -0.207 1
1 389 . 6 1 1 A 40 40 GLY CA C 40 45.768 46.387 -0.619 1
1 390 . 6 1 1 A 40 40 GLY HA2 H 40 3.957 3.962 -0.005 1
1 391 . 6 1 1 A 40 40 GLY HA3 H 40 4.220 3.967 0.253 1
1 392 . 6 1 1 A 40 40 GLY C C 40 176.747 175.229 1.518 1
1 393 . 6 1 1 A 41 41 ILE CA C 41 63.397 63.153 0.244 1
1 394 . 6 1 1 A 41 41 ILE HA H 41 4.312 4.066 0.246 1
1 395 . 6 1 1 A 41 41 ILE CB C 41 38.794 38.100 0.694 1
1 408 . 6 1 1 A 41 41 ILE C C 41 177.249 177.772 -0.523 1
1 409 . 6 1 1 A 42 42 ALA N N 42 124.835 123.970 0.865 1
1 410 . 6 1 1 A 42 42 ALA H H 42 8.629 7.933 0.696 1
1 411 . 6 1 1 A 42 42 ALA CA C 42 55.599 54.728 0.871 1
1 412 . 6 1 1 A 42 42 ALA HA H 42 4.377 3.878 0.499 1
1 413 . 6 1 1 A 42 42 ALA CB C 42 18.155 18.382 -0.227 1
1 417 . 6 1 1 A 42 42 ALA C C 42 179.079 180.378 -1.299 1
1 418 . 6 1 1 A 43 43 VAL N N 43 116.015 118.294 -2.279 1
1 419 . 6 1 1 A 43 43 VAL H H 43 7.363 7.948 -0.585 1
1 420 . 6 1 1 A 43 43 VAL CA C 43 65.623 66.821 -1.198 1
1 421 . 6 1 1 A 43 43 VAL HA H 43 3.822 3.657 0.165 1
1 422 . 6 1 1 A 43 43 VAL CB C 43 32.408 31.724 0.684 1
1 432 . 6 1 1 A 43 43 VAL C C 43 178.285 178.141 0.144 1
1 433 . 6 1 1 A 44 44 LEU N N 44 119.736 118.952 0.784 1
1 434 . 6 1 1 A 44 44 LEU H H 44 7.357 8.246 -0.889 1
1 435 . 6 1 1 A 44 44 LEU CA C 44 57.460 57.828 -0.368 1
1 436 . 6 1 1 A 44 44 LEU HA H 44 3.968 3.923 0.045 1
1 437 . 6 1 1 A 44 44 LEU CB C 44 41.234 41.697 -0.463 1
1 450 . 6 1 1 A 44 44 LEU C C 44 179.972 179.248 0.724 1
1 451 . 6 1 1 A 45 45 PHE N N 45 118.434 117.929 0.505 1
1 452 . 6 1 1 A 45 45 PHE H H 45 7.733 7.676 0.057 1
1 453 . 6 1 1 A 45 45 PHE CA C 45 63.151 60.523 2.628 1
1 454 . 6 1 1 A 45 45 PHE HA H 45 4.009 4.351 -0.342 1
1 455 . 6 1 1 A 45 45 PHE CB C 45 39.883 39.542 0.341 1
1 468 . 6 1 1 A 45 45 PHE C C 45 180.448 178.304 2.144 1
1 469 . 6 1 1 A 46 46 LYS N N 46 124.749 117.582 7.167 1
1 470 . 6 1 1 A 46 46 LYS H H 46 8.819 7.735 1.084 1
1 471 . 6 1 1 A 46 46 LYS CA C 46 60.958 58.200 2.758 1
1 472 . 6 1 1 A 46 46 LYS HA H 46 4.160 3.511 0.649 1
1 473 . 6 1 1 A 46 46 LYS CB C 46 31.930 31.426 0.504 1
1 485 . 6 1 1 A 46 46 LYS C C 46 179.139 177.474 1.665 1
1 486 . 6 1 1 A 47 47 LYS N N 47 119.317 119.995 -0.678 1
1 487 . 6 1 1 A 47 47 LYS H H 47 8.154 8.346 -0.192 1
1 488 . 6 1 1 A 47 47 LYS CA C 47 59.331 58.802 0.529 1
1 489 . 6 1 1 A 47 47 LYS HA H 47 3.939 4.002 -0.063 1
1 490 . 6 1 1 A 47 47 LYS CB C 47 33.065 32.403 0.662 1
1 502 . 6 1 1 A 47 47 LYS C C 47 178.108 179.021 -0.913 1
1 503 . 6 1 1 A 48 48 LYS N N 48 116.005 119.411 -3.406 1
1 504 . 6 1 1 A 48 48 LYS H H 48 7.976 7.598 0.378 1
1 505 . 6 1 1 A 48 48 LYS CA C 48 58.650 58.853 -0.203 1
1 506 . 6 1 1 A 48 48 LYS HA H 48 3.684 3.926 -0.242 1
1 507 . 6 1 1 A 48 48 LYS CB C 48 32.372 31.950 0.422 1
1 519 . 6 1 1 A 48 48 LYS C C 48 178.213 178.077 0.136 1
1 520 . 6 1 1 A 49 49 PHE N N 49 112.629 112.839 -0.210 1
1 521 . 6 1 1 A 49 49 PHE H H 49 7.658 7.365 0.293 1
1 522 . 6 1 1 A 49 49 PHE CA C 49 56.958 57.778 -0.820 1
1 523 . 6 1 1 A 49 49 PHE HA H 49 5.028 4.693 0.335 1
1 524 . 6 1 1 A 49 49 PHE CB C 49 40.496 40.852 -0.356 1
1 537 . 6 1 1 A 49 49 PHE C C 49 176.188 176.646 -0.458 1
1 538 . 6 1 1 A 50 50 GLY N N 50 108.499 108.232 0.267 1
1 539 . 6 1 1 A 50 50 GLY H H 50 7.821 6.351 1.470 1
1 540 . 6 1 1 A 50 50 GLY CA C 50 46.579 46.802 -0.223 1
1 541 . 6 1 1 A 50 50 GLY HA2 H 50 3.953 3.660 0.293 1
1 542 . 6 1 1 A 50 50 GLY HA3 H 50 3.953 3.784 0.169 1
1 543 . 6 1 1 A 50 50 GLY C C 50 174.288 175.650 -1.362 1
1 544 . 6 1 1 A 51 51 GLY N N 51 108.968 107.934 1.034 1
1 545 . 6 1 1 A 51 51 GLY H H 51 8.600 8.095 0.505 1
1 546 . 6 1 1 A 51 51 GLY CA C 51 46.597 45.618 0.979 1
1 547 . 6 1 1 A 51 51 GLY HA2 H 51 3.943 4.295 -0.352 1
1 548 . 6 1 1 A 51 51 GLY HA3 H 51 4.047 4.379 -0.332 1
1 549 . 6 1 1 A 51 51 GLY C C 51 174.522 175.225 -0.703 1
1 550 . 6 1 1 A 52 52 VAL N N 52 118.929 118.988 -0.059 1
1 551 . 6 1 1 A 52 52 VAL H H 52 7.980 7.987 -0.007 1
1 552 . 6 1 1 A 52 52 VAL CA C 52 68.080 65.811 2.269 1
1 553 . 6 1 1 A 52 52 VAL HA H 52 3.334 3.692 -0.358 1
1 554 . 6 1 1 A 52 52 VAL CB C 52 31.150 31.392 -0.242 1
1 564 . 6 1 1 A 52 52 VAL C C 52 177.566 177.637 -0.071 1
1 565 . 6 1 1 A 53 53 GLN N N 53 116.880 121.504 -4.624 1
1 566 . 6 1 1 A 53 53 GLN H H 53 8.513 8.138 0.375 1
1 567 . 6 1 1 A 53 53 GLN CA C 53 58.730 58.809 -0.079 1
1 568 . 6 1 1 A 53 53 GLN HA H 53 3.946 3.968 -0.022 1
1 569 . 6 1 1 A 53 53 GLN CB C 53 28.098 28.557 -0.459 1
1 578 . 6 1 1 A 53 53 GLN C C 53 177.916 178.060 -0.144 1
1 579 . 6 1 1 A 54 54 GLU N N 54 119.584 119.654 -0.070 1
1 580 . 6 1 1 A 54 54 GLU H H 54 7.525 8.116 -0.591 1
1 581 . 6 1 1 A 54 54 GLU CA C 54 59.754 59.055 0.699 1
1 582 . 6 1 1 A 54 54 GLU HA H 54 3.980 4.069 -0.089 1
1 583 . 6 1 1 A 54 54 GLU CB C 54 29.509 30.087 -0.578 1
1 589 . 6 1 1 A 54 54 GLU C C 54 180.168 179.850 0.318 1
1 590 . 6 1 1 A 55 55 LEU N N 55 121.130 120.551 0.579 1
1 591 . 6 1 1 A 55 55 LEU H H 55 8.437 8.281 0.156 1
1 592 . 6 1 1 A 55 55 LEU CA C 55 58.005 57.843 0.162 1
1 593 . 6 1 1 A 55 55 LEU HA H 55 3.870 3.881 -0.011 1
1 594 . 6 1 1 A 55 55 LEU CB C 55 42.588 41.450 1.138 1
1 607 . 6 1 1 A 55 55 LEU C C 55 180.835 179.586 1.249 1
1 608 . 6 1 1 A 56 56 LEU N N 56 123.508 118.619 4.889 1
1 609 . 6 1 1 A 56 56 LEU H H 56 8.664 8.449 0.215 1
1 610 . 6 1 1 A 56 56 LEU CA C 56 58.397 57.828 0.569 1
1 611 . 6 1 1 A 56 56 LEU HA H 56 3.972 3.910 0.062 1
1 612 . 6 1 1 A 56 56 LEU CB C 56 42.087 41.249 0.838 1
1 625 . 6 1 1 A 56 56 LEU C C 56 181.257 179.275 1.982 1
1 626 . 6 1 1 A 57 57 ASN N N 57 116.946 118.560 -1.614 1
1 627 . 6 1 1 A 57 57 ASN H H 57 8.334 8.108 0.226 1
1 628 . 6 1 1 A 57 57 ASN CA C 57 54.627 56.526 -1.899 1
1 629 . 6 1 1 A 57 57 ASN HA H 57 4.566 4.424 0.142 1
1 630 . 6 1 1 A 57 57 ASN CB C 57 38.170 38.050 0.120 1
1 636 . 6 1 1 A 57 57 ASN C C 57 176.756 177.890 -1.134 1
1 637 . 6 1 1 A 58 58 GLN N N 58 118.214 116.558 1.656 1
1 638 . 6 1 1 A 58 58 GLN H H 58 7.670 7.609 0.061 1
1 639 . 6 1 1 A 58 58 GLN CA C 58 58.022 55.934 2.088 1
1 640 . 6 1 1 A 58 58 GLN HA H 58 4.184 4.288 -0.104 1
1 641 . 6 1 1 A 58 58 GLN CB C 58 28.460 28.909 -0.449 1
1 650 . 6 1 1 A 58 58 GLN C C 58 175.792 175.372 0.420 1
1 651 . 6 1 1 A 59 59 GLN N N 59 114.113 116.477 -2.364 1
1 652 . 6 1 1 A 59 59 GLN H H 59 7.825 8.263 -0.438 1
1 653 . 6 1 1 A 59 59 GLN CA C 59 56.584 56.834 -0.250 1
1 654 . 6 1 1 A 59 59 GLN HA H 59 4.015 3.838 0.177 1
1 655 . 6 1 1 A 59 59 GLN CB C 59 26.829 26.295 0.534 1
1 664 . 6 1 1 A 59 59 GLN C C 59 175.049 175.153 -0.104 1
1 665 . 6 1 1 A 60 60 LYS N N 60 118.472 118.955 -0.483 1
1 666 . 6 1 1 A 60 60 LYS H H 60 9.134 8.237 0.897 1
1 667 . 6 1 1 A 60 60 LYS CA C 60 54.005 56.621 -2.616 1
1 668 . 6 1 1 A 60 60 LYS HA H 60 4.458 4.323 0.135 1
1 669 . 6 1 1 A 60 60 LYS CB C 60 32.573 33.550 -0.977 1
1 681 . 6 1 1 A 60 60 LYS C C 60 176.936 175.716 1.220 1
1 682 . 6 1 1 A 61 61 LYS N N 61 121.877 120.987 0.890 1
1 683 . 6 1 1 A 61 61 LYS H H 61 9.069 8.808 0.261 1
1 684 . 6 1 1 A 61 61 LYS CA C 61 53.421 54.349 -0.928 1
1 685 . 6 1 1 A 61 61 LYS HA H 61 4.517 4.873 -0.356 1
1 686 . 6 1 1 A 61 61 LYS CB C 61 35.816 36.190 -0.374 1
1 698 . 6 1 1 A 61 61 LYS C C 61 175.049 176.246 -1.197 1
1 699 . 6 1 1 A 62 62 SER N N 62 114.153 116.112 -1.959 1
1 700 . 6 1 1 A 62 62 SER H H 62 8.524 8.697 -0.173 1
1 701 . 6 1 1 A 62 62 SER CA C 62 60.959 59.605 1.354 1
1 702 . 6 1 1 A 62 62 SER HA H 62 3.954 4.442 -0.488 1
1 703 . 6 1 1 A 62 62 SER CB C 62 64.374 62.828 1.546 1
1 706 . 6 1 1 A 62 62 SER C C 62 175.660 174.835 0.825 1
1 707 . 6 1 1 A 63 63 GLY N N 63 111.615 113.174 -1.559 1
1 708 . 6 1 1 A 63 63 GLY H H 63 9.308 8.608 0.700 1
1 709 . 6 1 1 A 63 63 GLY CA C 63 44.971 45.184 -0.213 1
1 710 . 6 1 1 A 63 63 GLY HA2 H 63 4.188 4.021 0.167 1
1 711 . 6 1 1 A 63 63 GLY HA3 H 63 4.188 4.023 0.165 1
1 712 . 6 1 1 A 63 63 GLY C C 63 172.420 174.391 -1.971 1
1 713 . 6 1 1 A 64 64 GLU N N 64 117.287 119.699 -2.412 1
1 714 . 6 1 1 A 64 64 GLU H H 64 7.909 8.024 -0.115 1
1 715 . 6 1 1 A 64 64 GLU CA C 64 53.972 55.390 -1.418 1
1 716 . 6 1 1 A 64 64 GLU HA H 64 4.549 4.774 -0.225 1
1 717 . 6 1 1 A 64 64 GLU CB C 64 32.449 32.038 0.411 1
1 723 . 6 1 1 A 64 64 GLU C C 64 174.611 174.938 -0.327 1
1 724 . 6 1 1 A 65 65 VAL N N 65 118.093 121.038 -2.945 1
1 725 . 6 1 1 A 65 65 VAL H H 65 8.337 8.924 -0.587 1
1 726 . 6 1 1 A 65 65 VAL CA C 65 59.380 60.076 -0.696 1
1 727 . 6 1 1 A 65 65 VAL HA H 65 5.149 4.931 0.218 1
1 728 . 6 1 1 A 65 65 VAL CB C 65 35.892 35.878 0.014 1
1 738 . 6 1 1 A 65 65 VAL C C 65 172.013 173.466 -1.453 1
1 739 . 6 1 1 A 66 66 ALA N N 66 130.790 130.083 0.707 1
1 740 . 6 1 1 A 66 66 ALA H H 66 8.876 8.590 0.286 1
1 741 . 6 1 1 A 66 66 ALA CA C 66 50.170 50.977 -0.807 1
1 742 . 6 1 1 A 66 66 ALA HA H 66 4.879 5.259 -0.380 1
1 743 . 6 1 1 A 66 66 ALA CB C 66 21.291 21.044 0.247 1
1 747 . 6 1 1 A 66 66 ALA C C 66 175.997 176.629 -0.632 1
1 748 . 6 1 1 A 67 67 VAL N N 67 119.453 120.842 -1.389 1
1 749 . 6 1 1 A 67 67 VAL H H 67 8.615 8.459 0.156 1
1 750 . 6 1 1 A 67 67 VAL CA C 67 61.078 60.856 0.222 1
1 751 . 6 1 1 A 67 67 VAL HA H 67 5.255 4.888 0.367 1
1 752 . 6 1 1 A 67 67 VAL CB C 67 36.283 35.165 1.118 1
1 762 . 6 1 1 A 67 67 VAL C C 67 176.213 174.526 1.687 1
1 763 . 6 1 1 A 68 68 LEU N N 68 126.404 128.267 -1.863 1
1 764 . 6 1 1 A 68 68 LEU H H 68 9.013 8.586 0.427 1
1 765 . 6 1 1 A 68 68 LEU CA C 68 53.424 53.856 -0.432 1
1 766 . 6 1 1 A 68 68 LEU HA H 68 4.809 5.074 -0.265 1
1 767 . 6 1 1 A 68 68 LEU CB C 68 46.473 46.104 0.369 1
1 780 . 6 1 1 A 68 68 LEU C C 68 174.704 174.096 0.608 1
1 781 . 6 1 1 A 69 69 LYS N N 69 123.462 127.759 -4.297 1
1 782 . 6 1 1 A 69 69 LYS H H 69 8.756 9.100 -0.344 1
1 783 . 6 1 1 A 69 69 LYS CA C 69 55.228 55.119 0.109 1
1 784 . 6 1 1 A 69 69 LYS HA H 69 4.791 5.036 -0.245 1
1 785 . 6 1 1 A 69 69 LYS CB C 69 33.820 33.502 0.318 1
1 797 . 6 1 1 A 69 69 LYS C C 69 177.387 175.148 2.239 1
1 798 . 6 1 1 A 70 70 ARG N N 70 127.852 125.058 2.794 1
1 799 . 6 1 1 A 70 70 ARG H H 70 8.688 8.404 0.284 1
1 800 . 6 1 1 A 70 70 ARG CA C 70 52.929 54.066 -1.137 1
1 801 . 6 1 1 A 70 70 ARG CB C 70 34.028 34.071 -0.043 1
1 809 . 6 1 1 A 70 70 ARG C C 70 175.460 175.159 0.301 1
1 810 . 6 1 1 A 71 71 ASP CA C 71 55.193 55.269 -0.076 1
1 811 . 6 1 1 A 71 71 ASP HA H 71 4.268 4.408 -0.140 1
1 812 . 6 1 1 A 71 71 ASP CB C 71 40.326 39.638 0.688 1
1 815 . 6 1 1 A 71 71 ASP C C 71 175.970 176.117 -0.147 1
1 816 . 6 1 1 A 72 72 GLY N N 72 104.319 103.819 0.500 1
1 817 . 6 1 1 A 72 72 GLY H H 72 8.642 8.637 0.005 1
1 818 . 6 1 1 A 72 72 GLY CA C 72 45.692 46.706 -1.014 1
1 819 . 6 1 1 A 72 72 GLY HA2 H 72 4.062 3.816 0.246 1
1 820 . 6 1 1 A 72 72 GLY HA3 H 72 3.516 3.841 -0.325 1
1 821 . 6 1 1 A 72 72 GLY C C 72 172.604 173.332 -0.728 1
1 822 . 6 1 1 A 73 73 ARG N N 73 118.257 114.480 3.777 1
1 823 . 6 1 1 A 73 73 ARG H H 73 7.794 7.331 0.463 1
1 824 . 6 1 1 A 73 73 ARG CA C 73 52.893 54.552 -1.659 1
1 825 . 6 1 1 A 73 73 ARG HA H 73 4.560 4.316 0.244 1
1 826 . 6 1 1 A 73 73 ARG CB C 73 31.831 32.148 -0.317 1
1 837 . 6 1 1 A 73 73 ARG C C 73 173.057 173.546 -0.489 1
1 838 . 6 1 1 A 74 74 TYR N N 74 117.830 118.774 -0.944 1
1 839 . 6 1 1 A 74 74 TYR H H 74 8.366 8.379 -0.013 1
1 840 . 6 1 1 A 74 74 TYR CA C 74 57.987 56.701 1.286 1
1 841 . 6 1 1 A 74 74 TYR HA H 74 5.005 5.257 -0.252 1
1 842 . 6 1 1 A 74 74 TYR CB C 74 40.473 39.065 1.408 1
1 853 . 6 1 1 A 74 74 TYR C C 74 173.530 174.608 -1.078 1
1 854 . 6 1 1 A 75 75 ILE N N 75 120.880 124.989 -4.109 1
1 855 . 6 1 1 A 75 75 ILE H H 75 8.923 8.986 -0.063 1
1 856 . 6 1 1 A 75 75 ILE CA C 75 59.632 60.444 -0.812 1
1 857 . 6 1 1 A 75 75 ILE HA H 75 4.398 4.752 -0.354 1
1 858 . 6 1 1 A 75 75 ILE CB C 75 37.608 38.279 -0.671 1
1 871 . 6 1 1 A 75 75 ILE C C 75 174.203 174.920 -0.717 1
1 872 . 6 1 1 A 76 76 TYR N N 76 125.586 128.333 -2.747 1
1 873 . 6 1 1 A 76 76 TYR H H 76 9.540 9.320 0.220 1
1 874 . 6 1 1 A 76 76 TYR CA C 76 59.137 56.839 2.298 1
1 875 . 6 1 1 A 76 76 TYR HA H 76 4.630 5.554 -0.924 1
1 876 . 6 1 1 A 76 76 TYR CB C 76 39.909 41.262 -1.353 1
1 887 . 6 1 1 A 76 76 TYR C C 76 174.280 174.936 -0.656 1
1 888 . 6 1 1 A 77 77 TYR N N 77 123.524 121.147 2.377 1
1 889 . 6 1 1 A 77 77 TYR H H 77 9.221 8.976 0.245 1
1 890 . 6 1 1 A 77 77 TYR CA C 77 55.476 56.339 -0.863 1
1 891 . 6 1 1 A 77 77 TYR HA H 77 4.155 5.491 -1.336 1
1 892 . 6 1 1 A 77 77 TYR CB C 77 35.926 39.263 -3.337 1
1 903 . 6 1 1 A 77 77 TYR C C 77 174.236 174.999 -0.763 1
1 904 . 6 1 1 A 78 78 LEU N N 78 123.875 125.697 -1.822 1
1 905 . 6 1 1 A 78 78 LEU H H 78 8.948 8.608 0.340 1
1 906 . 6 1 1 A 78 78 LEU CA C 78 55.635 56.034 -0.399 1
1 907 . 6 1 1 A 78 78 LEU HA H 78 4.134 4.340 -0.206 1
1 908 . 6 1 1 A 78 78 LEU CB C 78 40.856 41.944 -1.088 1
1 921 . 6 1 1 A 78 78 LEU C C 78 175.294 176.254 -0.960 1
1 922 . 6 1 1 A 79 79 ILE N N 79 127.986 125.642 2.344 1
1 923 . 6 1 1 A 79 79 ILE H H 79 8.322 8.523 -0.201 1
1 924 . 6 1 1 A 79 79 ILE CA C 79 59.349 60.395 -1.046 1
1 925 . 6 1 1 A 79 79 ILE HA H 79 4.372 4.589 -0.217 1
1 926 . 6 1 1 A 79 79 ILE CB C 79 34.277 38.786 -4.509 1
1 939 . 6 1 1 A 79 79 ILE C C 79 176.505 176.224 0.281 1
1 940 . 6 1 1 A 80 80 THR N N 80 113.978 118.169 -4.191 1
1 941 . 6 1 1 A 80 80 THR H H 80 8.276 8.844 -0.568 1
1 942 . 6 1 1 A 80 80 THR CA C 80 61.646 61.991 -0.345 1
1 943 . 6 1 1 A 80 80 THR HA H 80 4.334 4.593 -0.259 1
1 944 . 6 1 1 A 80 80 THR CB C 80 69.165 70.250 -1.085 1
1 950 . 6 1 1 A 80 80 THR C C 80 172.999 174.110 -1.111 1
1 951 . 6 1 1 A 81 81 LYS N N 81 114.856 119.751 -4.895 1
1 952 . 6 1 1 A 81 81 LYS H H 81 7.512 7.647 -0.135 1
1 953 . 6 1 1 A 81 81 LYS CA C 81 54.894 54.755 0.139 1
1 954 . 6 1 1 A 81 81 LYS HA H 81 4.649 4.876 -0.227 1
1 955 . 6 1 1 A 81 81 LYS CB C 81 34.139 34.882 -0.743 1
1 964 . 6 1 1 A 81 81 LYS C C 81 175.344 175.578 -0.234 1
1 965 . 6 1 1 A 82 82 LYS N N 82 121.209 118.549 2.660 1
1 966 . 6 1 1 A 82 82 LYS H H 82 9.577 8.952 0.625 1
1 967 . 6 1 1 A 82 82 LYS CA C 82 60.198 56.974 3.224 1
1 968 . 6 1 1 A 82 82 LYS HA H 82 3.884 4.595 -0.711 1
1 969 . 6 1 1 A 82 82 LYS CB C 82 33.603 34.344 -0.741 1
1 981 . 6 1 1 A 82 82 LYS C C 82 176.049 176.624 -0.575 1
1 982 . 6 1 1 A 83 83 ARG N N 83 112.456 117.516 -5.060 1
1 983 . 6 1 1 A 83 83 ARG H H 83 6.717 7.748 -1.031 1
1 984 . 6 1 1 A 83 83 ARG CA C 83 52.451 54.157 -1.706 1
1 985 . 6 1 1 A 83 83 ARG HA H 83 4.691 4.661 0.030 1
1 986 . 6 1 1 A 83 83 ARG CB C 83 32.857 33.484 -0.627 1
1 995 . 6 1 1 A 83 83 ARG C C 83 177.299 176.299 1.000 1
1 996 . 6 1 1 A 84 84 ALA N N 84 124.857 125.478 -0.621 1
1 997 . 6 1 1 A 84 84 ALA H H 84 9.290 8.954 0.336 1
1 998 . 6 1 1 A 84 84 ALA CA C 84 56.005 55.748 0.257 1
1 999 . 6 1 1 A 84 84 ALA HA H 84 3.895 3.965 -0.070 1
1 1000 . 6 1 1 A 84 84 ALA CB C 84 19.175 18.350 0.825 1
1 1004 . 6 1 1 A 84 84 ALA C C 84 178.350 179.326 -0.976 1
1 1005 . 6 1 1 A 85 85 SER CA C 85 58.631 61.409 -2.778 1
1 1006 . 6 1 1 A 85 85 SER HA H 85 4.338 4.070 0.268 1
1 1007 . 6 1 1 A 85 85 SER CB C 85 63.277 63.132 0.145 1
1 1010 . 6 1 1 A 85 85 SER C C 85 175.469 174.453 1.016 1
1 1011 . 6 1 1 A 86 86 HIS N N 86 121.978 117.274 4.704 1
1 1012 . 6 1 1 A 86 86 HIS H H 86 7.560 8.103 -0.543 1
1 1013 . 6 1 1 A 86 86 HIS CA C 86 54.468 55.813 -1.345 1
1 1014 . 6 1 1 A 86 86 HIS HA H 86 4.766 4.738 0.028 1
1 1015 . 6 1 1 A 86 86 HIS CB C 86 33.069 30.971 2.098 1
1 1022 . 6 1 1 A 86 86 HIS C C 86 174.466 175.300 -0.834 1
1 1023 . 6 1 1 A 87 87 LYS N N 87 122.014 122.928 -0.914 1
1 1024 . 6 1 1 A 87 87 LYS H H 87 8.693 8.570 0.123 1
1 1025 . 6 1 1 A 87 87 LYS CA C 87 53.283 53.598 -0.315 1
1 1026 . 6 1 1 A 87 87 LYS HA H 87 4.792 4.610 0.182 1
1 1027 . 6 1 1 A 87 87 LYS CB C 87 32.803 31.948 0.855 1
1 1037 . 6 1 1 A 87 87 LYS C C 87 175.072 174.355 0.717 1
1 1038 . 6 1 1 A 88 88 PRO CA C 88 62.515 62.833 -0.318 1
1 1039 . 6 1 1 A 88 88 PRO HA H 88 4.796 4.655 0.141 1
1 1040 . 6 1 1 A 88 88 PRO CB C 88 32.687 32.292 0.395 1
1 1049 . 6 1 1 A 88 88 PRO C C 88 175.319 176.346 -1.027 1
1 1050 . 6 1 1 A 89 89 THR N N 89 107.501 112.447 -4.946 1
1 1051 . 6 1 1 A 89 89 THR H H 89 7.933 8.175 -0.242 1
1 1052 . 6 1 1 A 89 89 THR CA C 89 58.518 60.023 -1.505 1
1 1053 . 6 1 1 A 89 89 THR HA H 89 4.758 4.387 0.371 1
1 1054 . 6 1 1 A 89 89 THR CB C 89 70.861 71.798 -0.937 1
1 1060 . 6 1 1 A 89 89 THR C C 89 175.662 175.114 0.548 1
1 1061 . 6 1 1 A 90 90 TYR N N 90 120.845 122.219 -1.374 1
1 1062 . 6 1 1 A 90 90 TYR H H 90 8.751 8.820 -0.069 1
1 1063 . 6 1 1 A 90 90 TYR CA C 90 63.195 61.158 2.037 1
1 1064 . 6 1 1 A 90 90 TYR HA H 90 4.064 4.197 -0.133 1
1 1065 . 6 1 1 A 90 90 TYR CB C 90 37.372 37.885 -0.513 1
1 1076 . 6 1 1 A 90 90 TYR C C 90 178.063 178.159 -0.096 1
1 1077 . 6 1 1 A 91 91 GLU N N 91 118.210 121.595 -3.385 1
1 1078 . 6 1 1 A 91 91 GLU H H 91 8.857 8.385 0.472 1
1 1079 . 6 1 1 A 91 91 GLU CA C 91 60.312 59.287 1.025 1
1 1080 . 6 1 1 A 91 91 GLU HA H 91 4.114 4.016 0.098 1
1 1081 . 6 1 1 A 91 91 GLU CB C 91 29.276 29.397 -0.121 1
1 1087 . 6 1 1 A 91 91 GLU C C 91 178.970 178.551 0.419 1
1 1088 . 6 1 1 A 92 92 ASN N N 92 117.220 117.170 0.050 1
1 1089 . 6 1 1 A 92 92 ASN H H 92 7.894 7.915 -0.021 1
1 1090 . 6 1 1 A 92 92 ASN CA C 92 55.334 56.793 -1.459 1
1 1091 . 6 1 1 A 92 92 ASN HA H 92 4.696 4.357 0.339 1
1 1092 . 6 1 1 A 92 92 ASN CB C 92 37.704 37.892 -0.188 1
1 1098 . 6 1 1 A 92 92 ASN C C 92 178.155 177.941 0.214 1
1 1099 . 6 1 1 A 93 93 LEU N N 93 121.622 121.376 0.246 1
1 1100 . 6 1 1 A 93 93 LEU H H 93 8.038 8.170 -0.132 1
1 1101 . 6 1 1 A 93 93 LEU CA C 93 58.495 58.751 -0.256 1
1 1102 . 6 1 1 A 93 93 LEU HA H 93 4.092 3.981 0.111 1
1 1103 . 6 1 1 A 93 93 LEU CB C 93 41.383 42.083 -0.700 1
1 1116 . 6 1 1 A 93 93 LEU C C 93 177.808 178.422 -0.614 1
1 1117 . 6 1 1 A 94 94 GLN N N 94 120.352 118.206 2.146 1
1 1118 . 6 1 1 A 94 94 GLN H H 94 8.792 7.973 0.819 1
1 1119 . 6 1 1 A 94 94 GLN CA C 94 61.099 59.364 1.735 1
1 1120 . 6 1 1 A 94 94 GLN HA H 94 3.721 3.970 -0.249 1
1 1121 . 6 1 1 A 94 94 GLN CB C 94 27.560 28.831 -1.271 1
1 1130 . 6 1 1 A 94 94 GLN C C 94 178.042 178.363 -0.321 1
1 1131 . 6 1 1 A 95 95 LYS N N 95 117.824 118.412 -0.588 1
1 1132 . 6 1 1 A 95 95 LYS H H 95 7.803 8.102 -0.299 1
1 1133 . 6 1 1 A 95 95 LYS CA C 95 60.222 59.476 0.746 1
1 1134 . 6 1 1 A 95 95 LYS HA H 95 4.012 3.950 0.062 1
1 1135 . 6 1 1 A 95 95 LYS CB C 95 33.168 32.244 0.924 1
1 1147 . 6 1 1 A 95 95 LYS C C 95 179.868 179.243 0.625 1
1 1148 . 6 1 1 A 96 96 SER N N 96 118.301 116.753 1.548 1
1 1149 . 6 1 1 A 96 96 SER H H 96 8.251 8.397 -0.146 1
1 1150 . 6 1 1 A 96 96 SER CA C 96 63.668 62.243 1.425 1
1 1151 . 6 1 1 A 96 96 SER HA H 96 3.710 4.133 -0.423 1
1 1152 . 6 1 1 A 96 96 SER CB C 96 62.882 62.924 -0.042 1
1 1155 . 6 1 1 A 96 96 SER C C 96 176.400 176.224 0.176 1
1 1156 . 6 1 1 A 97 97 LEU N N 97 122.701 120.832 1.869 1
1 1157 . 6 1 1 A 97 97 LEU H H 97 8.467 8.393 0.074 1
1 1158 . 6 1 1 A 97 97 LEU CA C 97 58.323 57.867 0.456 1
1 1159 . 6 1 1 A 97 97 LEU HA H 97 3.861 3.968 -0.107 1
1 1160 . 6 1 1 A 97 97 LEU CB C 97 42.995 41.390 1.605 1
1 1173 . 6 1 1 A 97 97 LEU C C 97 178.941 179.717 -0.776 1
1 1174 . 6 1 1 A 98 98 GLU N N 98 119.918 119.456 0.462 1
1 1175 . 6 1 1 A 98 98 GLU H H 98 8.410 8.119 0.291 1
1 1176 . 6 1 1 A 98 98 GLU CA C 98 59.561 59.211 0.350 1
1 1177 . 6 1 1 A 98 98 GLU HA H 98 3.622 3.869 -0.247 1
1 1178 . 6 1 1 A 98 98 GLU CB C 98 29.142 29.117 0.025 1
1 1184 . 6 1 1 A 98 98 GLU C C 98 179.137 178.802 0.335 1
1 1185 . 6 1 1 A 99 99 ALA N N 99 124.193 122.691 1.502 1
1 1186 . 6 1 1 A 99 99 ALA H H 99 8.197 7.896 0.301 1
1 1187 . 6 1 1 A 99 99 ALA CA C 99 55.016 54.787 0.229 1
1 1188 . 6 1 1 A 99 99 ALA HA H 99 4.247 4.024 0.223 1
1 1189 . 6 1 1 A 99 99 ALA CB C 99 17.815 18.271 -0.456 1
1 1193 . 6 1 1 A 99 99 ALA C C 99 181.133 179.193 1.940 1
1 1194 . 6 1 1 A 100 100 MET N N 100 122.009 118.196 3.813 1
1 1195 . 6 1 1 A 100 100 MET H H 100 8.482 8.069 0.413 1
1 1196 . 6 1 1 A 100 100 MET CA C 100 59.826 58.135 1.691 1
1 1197 . 6 1 1 A 100 100 MET HA H 100 3.714 4.127 -0.413 1
1 1198 . 6 1 1 A 100 100 MET CB C 100 32.944 32.336 0.608 1
1 1208 . 6 1 1 A 100 100 MET C C 100 176.658 177.820 -1.162 1
1 1209 . 6 1 1 A 101 101 LYS N N 101 120.991 118.768 2.223 1
1 1210 . 6 1 1 A 101 101 LYS H H 101 8.721 7.737 0.984 1
1 1211 . 6 1 1 A 101 101 LYS CA C 101 60.563 58.989 1.574 1
1 1212 . 6 1 1 A 101 101 LYS HA H 101 3.614 4.040 -0.426 1
1 1213 . 6 1 1 A 101 101 LYS CB C 101 30.759 32.004 -1.245 1
1 1225 . 6 1 1 A 101 101 LYS C C 101 177.419 178.269 -0.850 1
1 1226 . 6 1 1 A 102 102 SER N N 102 111.833 114.624 -2.791 1
1 1227 . 6 1 1 A 102 102 SER H H 102 8.005 7.699 0.306 1
1 1228 . 6 1 1 A 102 102 SER CA C 102 61.993 61.728 0.265 1
1 1229 . 6 1 1 A 102 102 SER HA H 102 4.082 4.134 -0.052 1
1 1230 . 6 1 1 A 102 102 SER CB C 102 62.863 63.166 -0.303 1
1 1233 . 6 1 1 A 102 102 SER C C 102 176.601 177.025 -0.424 1
1 1234 . 6 1 1 A 103 103 HIS N N 103 121.793 120.759 1.034 1
1 1235 . 6 1 1 A 103 103 HIS H H 103 7.605 8.109 -0.504 1
1 1236 . 6 1 1 A 103 103 HIS CA C 103 62.090 59.746 2.344 1
1 1237 . 6 1 1 A 103 103 HIS HA H 103 4.000 4.317 -0.317 1
1 1238 . 6 1 1 A 103 103 HIS CB C 103 30.652 29.613 1.039 1
1 1245 . 6 1 1 A 103 103 HIS C C 103 179.129 177.310 1.819 1
1 1246 . 6 1 1 A 104 104 CYS N N 104 119.421 116.980 2.441 1
1 1247 . 6 1 1 A 104 104 CYS H H 104 9.261 8.339 0.922 1
1 1248 . 6 1 1 A 104 104 CYS CA C 104 63.841 63.905 -0.064 1
1 1249 . 6 1 1 A 104 104 CYS HA H 104 4.105 4.118 -0.013 1
1 1250 . 6 1 1 A 104 104 CYS CB C 104 27.916 27.201 0.715 1
1 1253 . 6 1 1 A 104 104 CYS C C 104 178.176 177.273 0.903 1
1 1254 . 6 1 1 A 105 105 LEU N N 105 117.129 120.360 -3.231 1
1 1255 . 6 1 1 A 105 105 LEU H H 105 8.331 7.974 0.357 1
1 1256 . 6 1 1 A 105 105 LEU CA C 105 57.262 58.101 -0.839 1
1 1257 . 6 1 1 A 105 105 LEU HA H 105 4.245 3.965 0.280 1
1 1258 . 6 1 1 A 105 105 LEU CB C 105 42.030 41.981 0.049 1
1 1271 . 6 1 1 A 105 105 LEU C C 105 180.635 179.099 1.536 1
1 1272 . 6 1 1 A 106 106 LYS N N 106 118.583 116.935 1.648 1
1 1273 . 6 1 1 A 106 106 LYS H H 106 7.638 8.038 -0.400 1
1 1274 . 6 1 1 A 106 106 LYS CA C 106 58.075 60.137 -2.062 1
1 1275 . 6 1 1 A 106 106 LYS HA H 106 4.140 3.875 0.265 1
1 1276 . 6 1 1 A 106 106 LYS CB C 106 33.191 32.165 1.026 1
1 1288 . 6 1 1 A 106 106 LYS C C 106 177.466 179.125 -1.659 1
1 1289 . 6 1 1 A 107 107 ASN N N 107 113.320 114.717 -1.397 1
1 1290 . 6 1 1 A 107 107 ASN H H 107 7.606 7.718 -0.112 1
1 1291 . 6 1 1 A 107 107 ASN CA C 107 53.813 54.833 -1.020 1
1 1292 . 6 1 1 A 107 107 ASN HA H 107 4.841 4.465 0.376 1
1 1293 . 6 1 1 A 107 107 ASN CB C 107 39.785 38.536 1.249 1
1 1299 . 6 1 1 A 107 107 ASN C C 107 174.443 175.896 -1.453 1
1 1300 . 6 1 1 A 108 108 GLY N N 108 109.386 104.835 4.551 1
1 1301 . 6 1 1 A 108 108 GLY H H 108 7.667 7.897 -0.230 1
1 1302 . 6 1 1 A 108 108 GLY CA C 108 47.252 45.091 2.161 1
1 1303 . 6 1 1 A 108 108 GLY HA2 H 108 4.023 4.101 -0.078 1
1 1304 . 6 1 1 A 108 108 GLY HA3 H 108 4.023 4.109 -0.086 1
1 1305 . 6 1 1 A 108 108 GLY C C 108 174.436 174.379 0.057 1
1 1306 . 6 1 1 A 109 109 VAL N N 109 122.758 121.017 1.741 1
1 1307 . 6 1 1 A 109 109 VAL H H 109 8.480 8.187 0.293 1
1 1308 . 6 1 1 A 109 109 VAL CA C 109 63.788 62.202 1.586 1
1 1309 . 6 1 1 A 109 109 VAL HA H 109 4.094 4.273 -0.179 1
1 1310 . 6 1 1 A 109 109 VAL CB C 109 32.931 32.098 0.833 1
1 1320 . 6 1 1 A 109 109 VAL C C 109 176.089 175.719 0.370 1
1 1321 . 6 1 1 A 110 110 THR N N 110 115.431 122.247 -6.816 1
1 1322 . 6 1 1 A 110 110 THR H H 110 8.995 8.864 0.131 1
1 1323 . 6 1 1 A 110 110 THR CA C 110 62.045 63.279 -1.234 1
1 1324 . 6 1 1 A 110 110 THR HA H 110 4.515 4.542 -0.027 1
1 1325 . 6 1 1 A 110 110 THR CB C 110 70.758 70.259 0.499 1
1 1331 . 6 1 1 A 110 110 THR C C 110 173.700 174.063 -0.363 1
1 1332 . 6 1 1 A 111 111 ASP N N 111 123.757 117.139 6.618 1
1 1333 . 6 1 1 A 111 111 ASP H H 111 8.123 7.874 0.249 1
1 1334 . 6 1 1 A 111 111 ASP CA C 111 54.747 52.710 2.037 1
1 1335 . 6 1 1 A 111 111 ASP HA H 111 5.527 5.063 0.464 1
1 1336 . 6 1 1 A 111 111 ASP CB C 111 43.928 42.410 1.518 1
1 1339 . 6 1 1 A 111 111 ASP C C 111 172.807 174.889 -2.082 1
1 1340 . 6 1 1 A 112 112 LEU N N 112 123.145 125.571 -2.426 1
1 1341 . 6 1 1 A 112 112 LEU H H 112 8.671 8.668 0.003 1
1 1342 . 6 1 1 A 112 112 LEU CA C 112 52.953 53.742 -0.789 1
1 1343 . 6 1 1 A 112 112 LEU HA H 112 5.213 5.173 0.040 1
1 1344 . 6 1 1 A 112 112 LEU CB C 112 47.875 46.795 1.080 1
1 1357 . 6 1 1 A 112 112 LEU C C 112 176.803 174.881 1.922 1
1 1358 . 6 1 1 A 113 113 SER N N 113 122.973 118.914 4.059 1
1 1359 . 6 1 1 A 113 113 SER H H 113 9.473 9.081 0.392 1
1 1360 . 6 1 1 A 113 113 SER CA C 113 59.207 56.884 2.323 1
1 1361 . 6 1 1 A 113 113 SER HA H 113 6.070 5.520 0.550 1
1 1362 . 6 1 1 A 113 113 SER CB C 113 67.023 66.157 0.866 1
1 1365 . 6 1 1 A 113 113 SER C C 113 172.066 173.550 -1.484 1
1 1366 . 6 1 1 A 114 114 MET N N 114 118.476 119.695 -1.219 1
1 1367 . 6 1 1 A 114 114 MET H H 114 9.080 9.199 -0.119 1
1 1368 . 6 1 1 A 114 114 MET CA C 114 54.007 53.102 0.905 1
1 1369 . 6 1 1 A 114 114 MET HA H 114 5.435 5.258 0.177 1
1 1370 . 6 1 1 A 114 114 MET CB C 114 34.867 35.893 -1.026 1
1 1380 . 6 1 1 A 114 114 MET C C 114 172.934 174.339 -1.405 1
1 1381 . 6 1 1 A 115 115 PRO CA C 115 62.262 62.303 -0.041 1
1 1382 . 6 1 1 A 115 115 PRO HA H 115 5.593 4.680 0.913 1
1 1383 . 6 1 1 A 115 115 PRO CB C 115 32.748 33.245 -0.497 1
1 1392 . 6 1 1 A 115 115 PRO C C 115 175.547 176.261 -0.714 1
1 1393 . 6 1 1 A 116 116 ARG N N 116 116.821 120.671 -3.850 1
1 1394 . 6 1 1 A 116 116 ARG H H 116 8.348 8.481 -0.133 1
1 1395 . 6 1 1 A 116 116 ARG CA C 116 55.785 56.158 -0.373 1
1 1396 . 6 1 1 A 116 116 ARG HA H 116 3.896 4.325 -0.429 1
1 1397 . 6 1 1 A 116 116 ARG CB C 116 27.344 30.605 -3.261 1
1 1406 . 6 1 1 A 116 116 ARG C C 116 176.796 176.091 0.705 1
1 1407 . 6 1 1 A 117 117 ILE N N 117 122.887 120.057 2.830 1
1 1408 . 6 1 1 A 117 117 ILE H H 117 7.989 8.793 -0.804 1
1 1409 . 6 1 1 A 117 117 ILE CA C 117 63.148 59.220 3.928 1
1 1410 . 6 1 1 A 117 117 ILE HA H 117 4.028 5.115 -1.087 1
1 1411 . 6 1 1 A 117 117 ILE CB C 117 40.010 40.450 -0.440 1
1 1424 . 6 1 1 A 117 117 ILE C C 117 174.324 175.811 -1.487 1
1 1425 . 6 1 1 A 118 118 GLY N N 118 107.320 110.184 -2.864 1
1 1426 . 6 1 1 A 118 118 GLY H H 118 8.662 8.494 0.168 1
1 1427 . 6 1 1 A 118 118 GLY CA C 118 45.752 45.748 0.004 1
1 1428 . 6 1 1 A 118 118 GLY HA2 H 118 3.693 4.099 -0.406 1
1 1429 . 6 1 1 A 118 118 GLY HA3 H 118 4.226 4.101 0.125 1
1 1430 . 6 1 1 A 118 118 GLY C C 118 172.861 175.229 -2.368 1
1 1431 . 6 1 1 A 119 119 CYS N N 119 115.336 116.102 -0.766 1
1 1432 . 6 1 1 A 119 119 CYS H H 119 7.445 8.166 -0.721 1
1 1433 . 6 1 1 A 119 119 CYS CA C 119 58.753 60.468 -1.715 1
1 1434 . 6 1 1 A 119 119 CYS HA H 119 4.831 4.182 0.649 1
1 1435 . 6 1 1 A 119 119 CYS CB C 119 28.840 26.401 2.439 1
1 1438 . 6 1 1 A 121 121 LEU CA C 121 57.692 57.254 0.438 1
1 1439 . 6 1 1 A 121 121 LEU HA H 121 4.152 4.302 -0.150 1
1 1440 . 6 1 1 A 121 121 LEU CB C 121 41.644 42.538 -0.894 1
1 1453 . 6 1 1 A 123 123 ARG N N 123 107.909 119.167 -11.258 1
1 1454 . 6 1 1 A 123 123 ARG H H 123 7.536 7.905 -0.369 1
1 1455 . 6 1 1 A 123 123 ARG CA C 123 57.775 58.068 -0.293 1
1 1456 . 6 1 1 A 123 123 ARG HA H 123 3.989 4.303 -0.314 1
1 1457 . 6 1 1 A 123 123 ARG CB C 123 28.219 30.684 -2.465 1
1 1466 . 6 1 1 A 123 123 ARG C C 123 176.088 176.353 -0.265 1
1 1467 . 6 1 1 A 124 124 LEU N N 124 118.876 118.026 0.850 1
1 1468 . 6 1 1 A 124 124 LEU H H 124 8.401 7.733 0.668 1
1 1469 . 6 1 1 A 124 124 LEU CA C 124 54.573 53.096 1.477 1
1 1470 . 6 1 1 A 124 124 LEU HA H 124 4.533 4.802 -0.269 1
1 1471 . 6 1 1 A 124 124 LEU CB C 124 39.785 45.386 -5.601 1
1 1484 . 6 1 1 A 124 124 LEU C C 124 175.551 175.637 -0.086 1
1 1485 . 6 1 1 A 125 125 GLN N N 125 116.713 118.892 -2.179 1
1 1486 . 6 1 1 A 125 125 GLN H H 125 7.779 8.775 -0.996 1
1 1487 . 6 1 1 A 125 125 GLN CA C 125 54.609 54.235 0.374 1
1 1488 . 6 1 1 A 125 125 GLN HA H 125 4.794 5.139 -0.345 1
1 1489 . 6 1 1 A 125 125 GLN CB C 125 30.327 31.075 -0.748 1
1 1498 . 6 1 1 A 125 125 GLN C C 125 177.722 176.005 1.717 1
1 1499 . 6 1 1 A 126 126 TRP N N 126 128.887 126.702 2.185 1
1 1500 . 6 1 1 A 126 126 TRP H H 126 9.755 9.170 0.585 1
1 1501 . 6 1 1 A 126 126 TRP CA C 126 59.962 61.263 -1.301 1
1 1502 . 6 1 1 A 126 126 TRP HA H 126 4.545 4.289 0.256 1
1 1503 . 6 1 1 A 126 126 TRP CB C 126 30.009 30.305 -0.296 1
1 1518 . 6 1 1 A 126 126 TRP C C 126 177.057 178.116 -1.059 1
1 1519 . 6 1 1 A 127 127 GLU N N 127 119.568 118.861 0.707 1
1 1520 . 6 1 1 A 127 127 GLU H H 127 9.946 8.495 1.451 1
1 1521 . 6 1 1 A 127 127 GLU CA C 127 60.623 59.815 0.808 1
1 1522 . 6 1 1 A 127 127 GLU HA H 127 3.780 3.901 -0.121 1
1 1523 . 6 1 1 A 127 127 GLU CB C 127 28.594 29.239 -0.645 1
1 1529 . 6 1 1 A 127 127 GLU C C 127 177.905 179.121 -1.216 1
1 1530 . 6 1 1 A 128 128 ASN N N 128 115.229 118.694 -3.465 1
1 1531 . 6 1 1 A 128 128 ASN H H 128 7.159 7.949 -0.790 1
1 1532 . 6 1 1 A 128 128 ASN CA C 128 55.370 55.995 -0.625 1
1 1533 . 6 1 1 A 128 128 ASN HA H 128 4.446 4.334 0.112 1
1 1534 . 6 1 1 A 128 128 ASN CB C 128 38.522 38.080 0.442 1
1 1540 . 6 1 1 A 128 128 ASN C C 128 177.374 177.791 -0.417 1
1 1541 . 6 1 1 A 129 129 VAL N N 129 122.487 119.821 2.666 1
1 1542 . 6 1 1 A 129 129 VAL H H 129 8.033 7.569 0.464 1
1 1543 . 6 1 1 A 129 129 VAL CA C 129 67.289 66.667 0.622 1
1 1544 . 6 1 1 A 129 129 VAL HA H 129 3.489 3.566 -0.077 1
1 1545 . 6 1 1 A 129 129 VAL CB C 129 31.824 31.466 0.358 1
1 1555 . 6 1 1 A 129 129 VAL C C 129 177.209 177.349 -0.140 1
1 1556 . 6 1 1 A 130 130 SER N N 130 115.189 113.925 1.264 1
1 1557 . 6 1 1 A 130 130 SER H H 130 8.550 7.817 0.733 1
1 1558 . 6 1 1 A 130 130 SER CA C 130 61.477 60.964 0.513 1
1 1559 . 6 1 1 A 130 130 SER HA H 130 3.151 3.420 -0.269 1
1 1560 . 6 1 1 A 130 130 SER CB C 130 61.348 62.285 -0.937 1
1 1563 . 6 1 1 A 130 130 SER C C 130 175.971 176.783 -0.812 1
1 1564 . 6 1 1 A 131 131 ALA N N 131 123.596 122.735 0.861 1
1 1565 . 6 1 1 A 131 131 ALA H H 131 6.551 7.555 -1.004 1
1 1566 . 6 1 1 A 131 131 ALA CA C 131 54.947 55.099 -0.152 1
1 1567 . 6 1 1 A 131 131 ALA HA H 131 4.079 3.916 0.163 1
1 1568 . 6 1 1 A 131 131 ALA CB C 131 18.023 17.924 0.099 1
1 1572 . 6 1 1 A 131 131 ALA C C 131 179.947 179.991 -0.044 1
1 1573 . 6 1 1 A 132 132 MET N N 132 119.410 116.488 2.922 1
1 1574 . 6 1 1 A 132 132 MET H H 132 7.442 8.092 -0.650 1
1 1575 . 6 1 1 A 132 132 MET CA C 132 58.917 58.563 0.354 1
1 1576 . 6 1 1 A 132 132 MET HA H 132 4.118 4.341 -0.223 1
1 1577 . 6 1 1 A 132 132 MET CB C 132 33.984 32.788 1.196 1
1 1587 . 6 1 1 A 132 132 MET C C 132 178.019 178.732 -0.713 1
1 1588 . 6 1 1 A 133 133 ILE N N 133 120.265 119.446 0.819 1
1 1589 . 6 1 1 A 133 133 ILE H H 133 8.554 7.894 0.660 1
1 1590 . 6 1 1 A 133 133 ILE CA C 133 66.859 65.086 1.773 1
1 1591 . 6 1 1 A 133 133 ILE HA H 133 3.470 3.795 -0.325 1
1 1592 . 6 1 1 A 133 133 ILE CB C 133 38.240 37.426 0.814 1
1 1605 . 6 1 1 A 133 133 ILE C C 133 177.949 178.624 -0.675 1
1 1606 . 6 1 1 A 134 134 GLU N N 134 117.011 121.176 -4.165 1
1 1607 . 6 1 1 A 134 134 GLU H H 134 8.106 7.858 0.248 1
1 1608 . 6 1 1 A 134 134 GLU CA C 134 59.844 59.663 0.181 1
1 1609 . 6 1 1 A 134 134 GLU HA H 134 3.919 4.061 -0.142 1
1 1610 . 6 1 1 A 134 134 GLU CB C 134 29.024 29.188 -0.164 1
1 1616 . 6 1 1 A 134 134 GLU C C 134 178.982 179.246 -0.264 1
1 1617 . 6 1 1 A 135 135 GLU N N 135 118.619 118.912 -0.293 1
1 1618 . 6 1 1 A 135 135 GLU H H 135 7.848 8.187 -0.339 1
1 1619 . 6 1 1 A 135 135 GLU CA C 135 59.438 59.295 0.143 1
1 1620 . 6 1 1 A 135 135 GLU HA H 135 4.090 4.075 0.015 1
1 1621 . 6 1 1 A 135 135 GLU CB C 135 29.948 29.139 0.809 1
1 1627 . 6 1 1 A 135 135 GLU C C 135 179.547 179.226 0.321 1
1 1628 . 6 1 1 A 136 136 VAL N N 136 119.915 121.547 -1.632 1
1 1629 . 6 1 1 A 136 136 VAL H H 136 8.793 8.409 0.384 1
1 1630 . 6 1 1 A 136 136 VAL CA C 136 66.122 66.391 -0.269 1
1 1631 . 6 1 1 A 136 136 VAL HA H 136 3.578 3.522 0.056 1
1 1632 . 6 1 1 A 136 136 VAL CB C 136 31.990 31.789 0.201 1
1 1642 . 6 1 1 A 136 136 VAL C C 136 177.646 177.550 0.096 1
1 1643 . 6 1 1 A 137 137 PHE N N 137 111.913 117.208 -5.295 1
1 1644 . 6 1 1 A 137 137 PHE H H 137 8.009 7.866 0.143 1
1 1645 . 6 1 1 A 137 137 PHE CA C 137 59.545 58.584 0.961 1
1 1646 . 6 1 1 A 137 137 PHE HA H 137 4.197 4.793 -0.596 1
1 1647 . 6 1 1 A 137 137 PHE CB C 137 38.105 38.921 -0.816 1
1 1660 . 6 1 1 A 138 138 GLU N N 138 123.997 121.982 2.015 1
1 1661 . 6 1 1 A 138 138 GLU H H 138 7.268 8.157 -0.889 1
1 1662 . 6 1 1 A 138 138 GLU CA C 138 59.222 59.439 -0.217 1
1 1663 . 6 1 1 A 138 138 GLU HA H 138 4.161 4.018 0.143 1
1 1664 . 6 1 1 A 138 138 GLU CB C 138 29.644 29.535 0.109 1
1 1670 . 6 1 1 A 139 139 ALA N N 139 121.713 119.270 2.443 1
1 1671 . 6 1 1 A 139 139 ALA H H 139 8.830 7.680 1.150 1
1 1672 . 6 1 1 A 139 139 ALA CA C 139 52.894 50.968 1.926 1
1 1673 . 6 1 1 A 139 139 ALA HA H 139 4.334 4.485 -0.151 1
1 1674 . 6 1 1 A 139 139 ALA CB C 139 17.362 19.136 -1.774 1
1 1678 . 6 1 1 A 139 139 ALA C C 139 176.943 176.018 0.925 1
1 1679 . 6 1 1 A 140 140 THR N N 140 107.901 109.877 -1.976 1
1 1680 . 6 1 1 A 140 140 THR H H 140 7.809 7.827 -0.018 1
1 1681 . 6 1 1 A 140 140 THR CA C 140 61.013 60.185 0.828 1
1 1682 . 6 1 1 A 140 140 THR HA H 140 4.164 4.945 -0.781 1
1 1683 . 6 1 1 A 140 140 THR CB C 140 72.698 72.698 0.000 1
1 1689 . 6 1 1 A 140 140 THR C C 140 174.222 173.356 0.866 1
1 1690 . 6 1 1 A 141 141 ASP N N 141 120.212 118.110 2.102 1
1 1691 . 6 1 1 A 141 141 ASP H H 141 8.959 8.631 0.328 1
1 1692 . 6 1 1 A 141 141 ASP CA C 141 53.333 53.594 -0.261 1
1 1693 . 6 1 1 A 141 141 ASP HA H 141 4.991 5.017 -0.026 1
1 1694 . 6 1 1 A 141 141 ASP CB C 141 40.660 41.335 -0.675 1
1 1697 . 6 1 1 A 141 141 ASP C C 141 175.403 174.187 1.216 1
1 1698 . 6 1 1 A 142 142 ILE N N 142 120.815 120.499 0.316 1
1 1699 . 6 1 1 A 142 142 ILE H H 142 7.444 7.635 -0.191 1
1 1700 . 6 1 1 A 142 142 ILE CA C 142 62.338 60.422 1.916 1
1 1701 . 6 1 1 A 142 142 ILE HA H 142 4.131 4.658 -0.527 1
1 1702 . 6 1 1 A 142 142 ILE CB C 142 38.703 40.590 -1.887 1
1 1715 . 6 1 1 A 142 142 ILE C C 142 175.399 175.032 0.367 1
1 1716 . 6 1 1 A 143 143 LYS N N 143 129.106 127.147 1.959 1
1 1717 . 6 1 1 A 143 143 LYS H H 143 8.588 9.178 -0.590 1
1 1718 . 6 1 1 A 143 143 LYS CA C 143 55.725 56.029 -0.304 1
1 1719 . 6 1 1 A 143 143 LYS HA H 143 4.444 4.705 -0.261 1
1 1720 . 6 1 1 A 143 143 LYS CB C 143 33.768 33.557 0.211 1
1 1732 . 6 1 1 A 143 143 LYS C C 143 174.820 175.579 -0.759 1
1 1733 . 6 1 1 A 144 144 ILE N N 144 122.496 124.969 -2.473 1
1 1734 . 6 1 1 A 144 144 ILE H H 144 7.884 8.859 -0.975 1
1 1735 . 6 1 1 A 144 144 ILE CA C 144 59.861 59.757 0.104 1
1 1736 . 6 1 1 A 144 144 ILE HA H 144 4.937 5.096 -0.159 1
1 1737 . 6 1 1 A 144 144 ILE CB C 144 40.518 40.664 -0.146 1
1 1750 . 6 1 1 A 144 144 ILE C C 144 175.232 175.092 0.140 1
1 1751 . 6 1 1 A 145 145 THR N N 145 126.667 122.183 4.484 1
1 1752 . 6 1 1 A 145 145 THR H H 145 9.100 8.449 0.651 1
1 1753 . 6 1 1 A 145 145 THR CA C 145 61.374 61.844 -0.470 1
1 1754 . 6 1 1 A 145 145 THR HA H 145 4.992 5.043 -0.051 1
1 1755 . 6 1 1 A 145 145 THR CB C 145 68.907 72.296 -3.389 1
1 1761 . 6 1 1 A 145 145 THR C C 145 173.158 173.346 -0.188 1
1 1762 . 6 1 1 A 146 146 VAL N N 146 127.717 126.555 1.162 1
1 1763 . 6 1 1 A 146 146 VAL H H 146 8.818 9.118 -0.300 1
1 1764 . 6 1 1 A 146 146 VAL CA C 146 59.930 61.483 -1.553 1
1 1765 . 6 1 1 A 146 146 VAL HA H 146 5.053 5.045 0.008 1
1 1766 . 6 1 1 A 146 146 VAL CB C 146 32.906 33.237 -0.331 1
1 1776 . 6 1 1 A 146 146 VAL C C 146 175.653 174.825 0.828 1
1 1777 . 6 1 1 A 147 147 TYR N N 147 129.304 126.780 2.524 1
1 1778 . 6 1 1 A 147 147 TYR H H 147 8.926 9.013 -0.087 1
1 1779 . 6 1 1 A 147 147 TYR CA C 147 57.290 57.020 0.270 1
1 1780 . 6 1 1 A 147 147 TYR HA H 147 5.283 5.080 0.203 1
1 1781 . 6 1 1 A 147 147 TYR CB C 147 40.422 39.889 0.533 1
1 1792 . 6 1 1 A 147 147 TYR C C 147 177.250 175.296 1.954 1
1 1793 . 6 1 1 A 148 148 THR N N 148 116.883 115.343 1.540 1
1 1794 . 6 1 1 A 148 148 THR H H 148 8.607 9.058 -0.451 1
1 1795 . 6 1 1 A 148 148 THR CA C 148 61.560 60.647 0.913 1
1 1796 . 6 1 1 A 148 148 THR HA H 148 4.431 5.174 -0.743 1
1 1797 . 6 1 1 A 148 148 THR CB C 148 70.966 70.534 0.432 1
1 1803 . 6 1 1 A 148 148 THR C C 148 172.797 173.946 -1.149 1
1 1 . 7 1 1 A 5 5 SER CA C 5 58.376 56.538 1.838 1
1 2 . 7 1 1 A 5 5 SER HA H 5 4.528 5.188 -0.660 1
1 3 . 7 1 1 A 5 5 SER CB C 5 63.813 65.082 -1.269 1
1 5 . 7 1 1 A 5 5 SER C C 5 174.968 172.331 2.637 1
1 6 . 7 1 1 A 6 6 SER N N 6 117.996 122.854 -4.858 1
1 7 . 7 1 1 A 6 6 SER H H 6 8.503 8.790 -0.287 1
1 8 . 7 1 1 A 6 6 SER CA C 6 58.642 56.836 1.806 1
1 9 . 7 1 1 A 6 6 SER HA H 6 4.526 4.856 -0.330 1
1 10 . 7 1 1 A 6 6 SER CB C 6 63.855 63.996 -0.141 1
1 13 . 7 1 1 A 6 6 SER C C 6 175.129 174.071 1.058 1
1 14 . 7 1 1 A 7 7 GLY N N 7 110.904 114.621 -3.717 1
1 15 . 7 1 1 A 7 7 GLY H H 7 8.470 8.490 -0.020 1
1 16 . 7 1 1 A 7 7 GLY CA C 7 45.430 45.786 -0.356 1
1 17 . 7 1 1 A 7 7 GLY HA2 H 7 4.030 4.159 -0.129 1
1 18 . 7 1 1 A 7 7 GLY HA3 H 7 4.030 4.164 -0.134 1
1 19 . 7 1 1 A 7 7 GLY C C 7 174.606 174.498 0.108 1
1 20 . 7 1 1 A 8 8 GLY N N 8 108.942 104.715 4.227 1
1 21 . 7 1 1 A 8 8 GLY H H 8 8.286 7.524 0.762 1
1 22 . 7 1 1 A 8 8 GLY CA C 8 45.058 46.210 -1.152 1
1 23 . 7 1 1 A 8 8 GLY HA2 H 8 4.027 4.120 -0.093 1
1 24 . 7 1 1 A 8 8 GLY HA3 H 8 4.199 4.121 0.078 1
1 25 . 7 1 1 A 8 8 GLY C C 8 173.943 172.494 1.449 1
1 26 . 7 1 1 A 9 9 SER N N 9 115.435 119.353 -3.918 1
1 27 . 7 1 1 A 9 9 SER H H 9 8.275 8.342 -0.067 1
1 28 . 7 1 1 A 9 9 SER CA C 9 57.847 58.451 -0.604 1
1 29 . 7 1 1 A 9 9 SER HA H 9 4.616 4.352 0.264 1
1 30 . 7 1 1 A 9 9 SER CB C 9 64.102 63.670 0.432 1
1 33 . 7 1 1 A 9 9 SER C C 9 174.962 175.791 -0.829 1
1 34 . 7 1 1 A 10 10 ARG N N 10 126.156 126.658 -0.502 1
1 35 . 7 1 1 A 10 10 ARG H H 10 9.427 8.696 0.731 1
1 36 . 7 1 1 A 10 10 ARG CA C 10 56.662 59.346 -2.684 1
1 37 . 7 1 1 A 10 10 ARG HA H 10 4.332 3.937 0.395 1
1 38 . 7 1 1 A 10 10 ARG CB C 10 30.289 29.966 0.323 1
1 49 . 7 1 1 A 10 10 ARG C C 10 175.504 177.255 -1.751 1
1 50 . 7 1 1 A 11 11 ILE N N 11 119.127 119.977 -0.850 1
1 51 . 7 1 1 A 11 11 ILE H H 11 8.176 7.318 0.858 1
1 52 . 7 1 1 A 11 11 ILE CA C 11 61.153 61.902 -0.749 1
1 53 . 7 1 1 A 11 11 ILE HA H 11 4.553 3.927 0.626 1
1 54 . 7 1 1 A 11 11 ILE CB C 11 39.949 37.536 2.413 1
1 67 . 7 1 1 A 11 11 ILE C C 11 176.134 175.313 0.821 1
1 68 . 7 1 1 A 12 12 THR N N 12 124.682 124.038 0.644 1
1 69 . 7 1 1 A 12 12 THR H H 12 8.534 8.910 -0.376 1
1 70 . 7 1 1 A 12 12 THR CA C 12 61.630 61.056 0.574 1
1 71 . 7 1 1 A 12 12 THR HA H 12 4.359 4.617 -0.258 1
1 72 . 7 1 1 A 12 12 THR CB C 12 70.705 71.148 -0.443 1
1 78 . 7 1 1 A 12 12 THR C C 12 171.804 173.204 -1.400 1
1 79 . 7 1 1 A 13 13 TYR N N 13 124.043 125.684 -1.641 1
1 80 . 7 1 1 A 13 13 TYR H H 13 8.691 8.606 0.085 1
1 81 . 7 1 1 A 13 13 TYR CA C 13 57.846 57.217 0.629 1
1 82 . 7 1 1 A 13 13 TYR HA H 13 5.099 5.347 -0.248 1
1 83 . 7 1 1 A 13 13 TYR CB C 13 39.895 39.849 0.046 1
1 94 . 7 1 1 A 13 13 TYR C C 13 175.924 175.841 0.083 1
1 95 . 7 1 1 A 14 14 VAL N N 14 124.012 122.672 1.340 1
1 96 . 7 1 1 A 14 14 VAL H H 14 8.633 9.178 -0.545 1
1 97 . 7 1 1 A 14 14 VAL CA C 14 60.958 60.022 0.936 1
1 98 . 7 1 1 A 14 14 VAL HA H 14 4.015 4.653 -0.638 1
1 99 . 7 1 1 A 14 14 VAL CB C 14 35.416 34.756 0.660 1
1 109 . 7 1 1 A 14 14 VAL C C 14 173.974 173.628 0.346 1
1 110 . 7 1 1 A 15 15 LYS N N 15 127.960 126.452 1.508 1
1 111 . 7 1 1 A 15 15 LYS H H 15 8.318 8.752 -0.434 1
1 112 . 7 1 1 A 15 15 LYS CA C 15 54.152 54.979 -0.827 1
1 113 . 7 1 1 A 15 15 LYS HA H 15 5.126 5.113 0.013 1
1 114 . 7 1 1 A 15 15 LYS CB C 15 32.086 34.212 -2.126 1
1 126 . 7 1 1 A 15 15 LYS C C 15 176.050 175.211 0.839 1
1 127 . 7 1 1 A 16 16 GLY N N 16 114.545 112.682 1.863 1
1 128 . 7 1 1 A 16 16 GLY H H 16 8.508 7.953 0.555 1
1 129 . 7 1 1 A 16 16 GLY CA C 16 45.006 44.026 0.980 1
1 130 . 7 1 1 A 16 16 GLY HA2 H 16 4.028 4.121 -0.093 1
1 131 . 7 1 1 A 16 16 GLY HA3 H 16 4.197 4.154 0.043 1
1 132 . 7 1 1 A 16 16 GLY C C 16 170.957 172.839 -1.882 1
1 133 . 7 1 1 A 17 17 ASP N N 17 119.423 121.178 -1.755 1
1 134 . 7 1 1 A 17 17 ASP H H 17 8.271 8.646 -0.375 1
1 135 . 7 1 1 A 17 17 ASP CA C 17 53.164 55.171 -2.007 1
1 136 . 7 1 1 A 17 17 ASP HA H 17 4.407 4.365 0.042 1
1 137 . 7 1 1 A 17 17 ASP CB C 17 41.912 41.742 0.170 1
1 140 . 7 1 1 A 17 17 ASP C C 17 176.089 175.895 0.194 1
1 141 . 7 1 1 A 18 18 LEU N N 18 130.056 124.853 5.203 1
1 142 . 7 1 1 A 18 18 LEU H H 18 8.304 8.561 -0.257 1
1 143 . 7 1 1 A 18 18 LEU CA C 18 57.156 55.898 1.258 1
1 144 . 7 1 1 A 18 18 LEU HA H 18 2.425 3.952 -1.527 1
1 145 . 7 1 1 A 18 18 LEU CB C 18 42.959 43.767 -0.808 1
1 158 . 7 1 1 A 18 18 LEU C C 18 175.737 177.784 -2.047 1
1 159 . 7 1 1 A 19 19 PHE N N 19 109.678 117.215 -7.537 1
1 160 . 7 1 1 A 19 19 PHE H H 19 7.461 7.316 0.145 1
1 161 . 7 1 1 A 19 19 PHE CA C 19 59.844 60.198 -0.354 1
1 162 . 7 1 1 A 19 19 PHE HA H 19 3.920 4.329 -0.409 1
1 163 . 7 1 1 A 19 19 PHE CB C 19 36.735 40.114 -3.379 1
1 176 . 7 1 1 A 19 19 PHE C C 19 175.833 178.075 -2.242 1
1 177 . 7 1 1 A 20 20 ALA N N 20 123.506 122.335 1.171 1
1 178 . 7 1 1 A 20 20 ALA H H 20 7.752 8.183 -0.431 1
1 179 . 7 1 1 A 20 20 ALA CA C 20 51.160 54.949 -3.789 1
1 180 . 7 1 1 A 20 20 ALA HA H 20 4.518 4.078 0.440 1
1 181 . 7 1 1 A 20 20 ALA CB C 20 18.395 18.267 0.128 1
1 185 . 7 1 1 A 20 20 ALA C C 20 176.772 179.653 -2.881 1
1 186 . 7 1 1 A 21 21 CYS N N 21 118.823 117.284 1.539 1
1 187 . 7 1 1 A 21 21 CYS H H 21 7.225 8.112 -0.887 1
1 188 . 7 1 1 A 21 21 CYS CA C 21 56.813 63.594 -6.781 1
1 189 . 7 1 1 A 21 21 CYS HA H 21 4.580 4.144 0.436 1
1 190 . 7 1 1 A 21 21 CYS CB C 21 25.916 26.576 -0.660 1
1 193 . 7 1 1 A 21 21 CYS C C 21 170.919 175.193 -4.274 1
1 194 . 7 1 1 A 22 22 PRO CA C 22 64.000 62.510 1.490 1
1 195 . 7 1 1 A 22 22 PRO HA H 22 4.373 4.428 -0.055 1
1 196 . 7 1 1 A 22 22 PRO CB C 22 31.802 33.259 -1.457 1
1 205 . 7 1 1 A 22 22 PRO C C 22 178.609 176.165 2.444 1
1 206 . 7 1 1 A 23 23 LYS N N 23 122.870 120.596 2.274 1
1 207 . 7 1 1 A 23 23 LYS H H 23 8.785 8.733 0.052 1
1 208 . 7 1 1 A 23 23 LYS CA C 23 58.671 57.255 1.416 1
1 209 . 7 1 1 A 23 23 LYS HA H 23 4.103 4.476 -0.373 1
1 210 . 7 1 1 A 23 23 LYS CB C 23 32.078 35.364 -3.286 1
1 222 . 7 1 1 A 23 23 LYS C C 23 175.722 177.600 -1.878 1
1 223 . 7 1 1 A 24 24 THR N N 24 102.744 106.075 -3.331 1
1 224 . 7 1 1 A 24 24 THR H H 24 7.097 7.489 -0.392 1
1 225 . 7 1 1 A 24 24 THR CA C 24 61.064 61.627 -0.563 1
1 226 . 7 1 1 A 24 24 THR HA H 24 4.166 4.574 -0.408 1
1 227 . 7 1 1 A 24 24 THR CB C 24 68.805 70.623 -1.818 1
1 233 . 7 1 1 A 24 24 THR C C 24 176.216 174.569 1.647 1
1 234 . 7 1 1 A 25 25 ASP N N 25 125.303 124.693 0.610 1
1 235 . 7 1 1 A 25 25 ASP H H 25 7.768 7.702 0.066 1
1 236 . 7 1 1 A 25 25 ASP CA C 25 55.246 55.344 -0.098 1
1 237 . 7 1 1 A 25 25 ASP HA H 25 4.536 4.473 0.063 1
1 238 . 7 1 1 A 25 25 ASP CB C 25 40.321 40.898 -0.577 1
1 241 . 7 1 1 A 25 25 ASP C C 25 177.718 175.812 1.906 1
1 242 . 7 1 1 A 26 26 SER N N 26 118.303 118.322 -0.019 1
1 243 . 7 1 1 A 26 26 SER H H 26 8.472 8.564 -0.092 1
1 244 . 7 1 1 A 26 26 SER CA C 26 61.547 58.370 3.177 1
1 245 . 7 1 1 A 26 26 SER HA H 26 5.138 4.596 0.542 1
1 246 . 7 1 1 A 26 26 SER CB C 26 65.326 64.991 0.335 1
1 249 . 7 1 1 A 26 26 SER C C 26 172.446 173.522 -1.076 1
1 250 . 7 1 1 A 27 27 LEU N N 27 121.957 122.004 -0.047 1
1 251 . 7 1 1 A 27 27 LEU H H 27 8.553 8.182 0.371 1
1 252 . 7 1 1 A 27 27 LEU CA C 27 53.919 53.590 0.329 1
1 253 . 7 1 1 A 27 27 LEU HA H 27 6.004 5.727 0.277 1
1 254 . 7 1 1 A 27 27 LEU CB C 27 48.728 45.721 3.007 1
1 267 . 7 1 1 A 27 27 LEU C C 27 176.071 175.830 0.241 1
1 268 . 7 1 1 A 28 28 ALA N N 28 119.120 124.018 -4.898 1
1 269 . 7 1 1 A 28 28 ALA H H 28 8.083 8.551 -0.468 1
1 270 . 7 1 1 A 28 28 ALA CA C 28 50.738 51.585 -0.847 1
1 271 . 7 1 1 A 28 28 ALA HA H 28 5.833 5.319 0.514 1
1 272 . 7 1 1 A 28 28 ALA CB C 28 24.493 22.031 2.462 1
1 276 . 7 1 1 A 28 28 ALA C C 28 174.396 175.562 -1.166 1
1 277 . 7 1 1 A 29 29 HIS N N 29 111.296 116.848 -5.552 1
1 278 . 7 1 1 A 29 29 HIS H H 29 8.042 8.648 -0.606 1
1 279 . 7 1 1 A 29 29 HIS CA C 29 55.617 53.630 1.987 1
1 280 . 7 1 1 A 29 29 HIS HA H 29 4.552 5.280 -0.728 1
1 281 . 7 1 1 A 29 29 HIS CB C 29 31.644 32.286 -0.642 1
1 288 . 7 1 1 A 29 29 HIS C C 29 172.453 172.224 0.229 1
1 289 . 7 1 1 A 30 30 CYS N N 30 115.842 117.172 -1.330 1
1 290 . 7 1 1 A 30 30 CYS H H 30 8.182 8.807 -0.625 1
1 291 . 7 1 1 A 30 30 CYS CA C 30 57.610 56.927 0.683 1
1 292 . 7 1 1 A 30 30 CYS HA H 30 5.489 5.732 -0.243 1
1 293 . 7 1 1 A 30 30 CYS CB C 30 30.518 30.382 0.136 1
1 296 . 7 1 1 A 30 30 CYS C C 30 175.085 173.453 1.632 1
1 297 . 7 1 1 A 31 31 ILE N N 31 117.447 119.952 -2.505 1
1 298 . 7 1 1 A 31 31 ILE H H 31 9.209 8.899 0.310 1
1 299 . 7 1 1 A 31 31 ILE CA C 31 60.057 58.652 1.405 1
1 300 . 7 1 1 A 31 31 ILE HA H 31 4.816 4.823 -0.007 1
1 301 . 7 1 1 A 31 31 ILE CB C 31 43.206 41.958 1.248 1
1 314 . 7 1 1 A 31 31 ILE C C 31 173.249 174.482 -1.233 1
1 315 . 7 1 1 A 32 32 SER N N 32 111.596 116.714 -5.118 1
1 316 . 7 1 1 A 32 32 SER H H 32 7.858 8.411 -0.553 1
1 317 . 7 1 1 A 32 32 SER CA C 32 55.599 56.343 -0.744 1
1 318 . 7 1 1 A 32 32 SER HA H 32 5.139 5.052 0.087 1
1 319 . 7 1 1 A 32 32 SER CB C 32 66.377 65.794 0.583 1
1 322 . 7 1 1 A 32 32 SER C C 32 176.120 175.823 0.297 1
1 323 . 7 1 1 A 33 33 GLU N N 33 118.525 121.631 -3.106 1
1 324 . 7 1 1 A 33 33 GLU H H 33 8.189 8.767 -0.578 1
1 325 . 7 1 1 A 33 33 GLU CA C 33 59.273 60.115 -0.842 1
1 326 . 7 1 1 A 33 33 GLU HA H 33 3.759 3.978 -0.219 1
1 327 . 7 1 1 A 33 33 GLU CB C 33 30.553 29.364 1.189 1
1 333 . 7 1 1 A 33 33 GLU C C 33 177.446 178.450 -1.004 1
1 334 . 7 1 1 A 34 34 ASP N N 34 113.498 119.995 -6.497 1
1 335 . 7 1 1 A 34 34 ASP H H 34 7.480 7.669 -0.189 1
1 336 . 7 1 1 A 34 34 ASP CA C 34 54.511 57.682 -3.171 1
1 337 . 7 1 1 A 34 34 ASP HA H 34 4.342 4.368 -0.026 1
1 338 . 7 1 1 A 34 34 ASP CB C 34 40.374 41.325 -0.951 1
1 341 . 7 1 1 A 34 34 ASP C C 34 175.854 175.735 0.119 1
1 342 . 7 1 1 A 35 35 CYS N N 35 111.837 117.070 -5.233 1
1 343 . 7 1 1 A 35 35 CYS H H 35 8.327 8.209 0.118 1
1 344 . 7 1 1 A 35 35 CYS CA C 35 61.093 60.590 0.503 1
1 345 . 7 1 1 A 35 35 CYS HA H 35 3.772 4.137 -0.365 1
1 346 . 7 1 1 A 35 35 CYS CB C 35 25.679 25.785 -0.106 1
1 349 . 7 1 1 A 35 35 CYS C C 35 173.370 173.753 -0.383 1
1 350 . 7 1 1 A 36 36 ARG N N 36 117.440 119.601 -2.161 1
1 351 . 7 1 1 A 36 36 ARG H H 36 7.473 7.959 -0.486 1
1 352 . 7 1 1 A 36 36 ARG CA C 36 57.988 54.038 3.950 1
1 353 . 7 1 1 A 36 36 ARG HA H 36 3.981 4.461 -0.480 1
1 354 . 7 1 1 A 36 36 ARG CB C 36 30.430 29.499 0.931 1
1 363 . 7 1 1 A 36 36 ARG C C 36 177.233 175.174 2.059 1
1 364 . 7 1 1 A 37 37 MET CA C 37 56.118 57.135 -1.017 1
1 365 . 7 1 1 A 37 37 MET HA H 37 4.036 4.249 -0.213 1
1 373 . 7 1 1 A 38 38 GLY H H 38 8.192 8.817 -0.625 1
1 374 . 7 1 1 A 38 38 GLY CA C 38 45.670 45.205 0.465 1
1 375 . 7 1 1 A 38 38 GLY HA2 H 38 4.220 4.077 0.143 1
1 376 . 7 1 1 A 38 38 GLY HA3 H 38 3.595 4.089 -0.494 1
1 377 . 7 1 1 A 38 38 GLY C C 38 173.799 173.605 0.194 1
1 378 . 7 1 1 A 39 39 ALA N N 39 122.002 120.796 1.206 1
1 379 . 7 1 1 A 39 39 ALA H H 39 7.697 7.675 0.022 1
1 380 . 7 1 1 A 39 39 ALA CA C 39 51.019 51.843 -0.824 1
1 381 . 7 1 1 A 39 39 ALA HA H 39 4.678 4.678 0.000 1
1 382 . 7 1 1 A 39 39 ALA CB C 39 22.608 22.149 0.459 1
1 386 . 7 1 1 A 39 39 ALA C C 39 176.769 177.077 -0.308 1
1 387 . 7 1 1 A 40 40 GLY N N 40 107.149 113.000 -5.851 1
1 388 . 7 1 1 A 40 40 GLY H H 40 8.731 9.021 -0.290 1
1 389 . 7 1 1 A 40 40 GLY CA C 40 45.768 46.524 -0.756 1
1 390 . 7 1 1 A 40 40 GLY HA2 H 40 3.957 3.969 -0.012 1
1 391 . 7 1 1 A 40 40 GLY HA3 H 40 4.220 3.982 0.238 1
1 392 . 7 1 1 A 40 40 GLY C C 40 176.747 175.130 1.617 1
1 393 . 7 1 1 A 41 41 ILE CA C 41 63.397 63.273 0.124 1
1 394 . 7 1 1 A 41 41 ILE HA H 41 4.312 4.205 0.107 1
1 395 . 7 1 1 A 41 41 ILE CB C 41 38.794 38.263 0.531 1
1 408 . 7 1 1 A 41 41 ILE C C 41 177.249 177.911 -0.662 1
1 409 . 7 1 1 A 42 42 ALA N N 42 124.835 124.449 0.386 1
1 410 . 7 1 1 A 42 42 ALA H H 42 8.629 8.272 0.357 1
1 411 . 7 1 1 A 42 42 ALA CA C 42 55.599 55.389 0.210 1
1 412 . 7 1 1 A 42 42 ALA HA H 42 4.377 4.217 0.160 1
1 413 . 7 1 1 A 42 42 ALA CB C 42 18.155 18.595 -0.440 1
1 417 . 7 1 1 A 42 42 ALA C C 42 179.079 180.591 -1.512 1
1 418 . 7 1 1 A 43 43 VAL N N 43 116.015 118.992 -2.977 1
1 419 . 7 1 1 A 43 43 VAL H H 43 7.363 8.070 -0.707 1
1 420 . 7 1 1 A 43 43 VAL CA C 43 65.623 66.917 -1.294 1
1 421 . 7 1 1 A 43 43 VAL HA H 43 3.822 3.687 0.135 1
1 422 . 7 1 1 A 43 43 VAL CB C 43 32.408 31.563 0.845 1
1 432 . 7 1 1 A 43 43 VAL C C 43 178.285 178.051 0.234 1
1 433 . 7 1 1 A 44 44 LEU N N 44 119.736 120.096 -0.360 1
1 434 . 7 1 1 A 44 44 LEU H H 44 7.357 8.363 -1.006 1
1 435 . 7 1 1 A 44 44 LEU CA C 44 57.460 58.299 -0.839 1
1 436 . 7 1 1 A 44 44 LEU HA H 44 3.968 3.872 0.096 1
1 437 . 7 1 1 A 44 44 LEU CB C 44 41.234 41.606 -0.372 1
1 450 . 7 1 1 A 44 44 LEU C C 44 179.972 179.282 0.690 1
1 451 . 7 1 1 A 45 45 PHE N N 45 118.434 117.766 0.668 1
1 452 . 7 1 1 A 45 45 PHE H H 45 7.733 7.907 -0.174 1
1 453 . 7 1 1 A 45 45 PHE CA C 45 63.151 60.760 2.391 1
1 454 . 7 1 1 A 45 45 PHE HA H 45 4.009 4.313 -0.304 1
1 455 . 7 1 1 A 45 45 PHE CB C 45 39.883 38.518 1.365 1
1 468 . 7 1 1 A 45 45 PHE C C 45 180.448 177.949 2.499 1
1 469 . 7 1 1 A 46 46 LYS N N 46 124.749 121.276 3.473 1
1 470 . 7 1 1 A 46 46 LYS H H 46 8.819 8.429 0.390 1
1 471 . 7 1 1 A 46 46 LYS CA C 46 60.958 59.394 1.564 1
1 472 . 7 1 1 A 46 46 LYS HA H 46 4.160 4.096 0.064 1
1 473 . 7 1 1 A 46 46 LYS CB C 46 31.930 31.869 0.061 1
1 485 . 7 1 1 A 46 46 LYS C C 46 179.139 178.867 0.272 1
1 486 . 7 1 1 A 47 47 LYS N N 47 119.317 118.903 0.414 1
1 487 . 7 1 1 A 47 47 LYS H H 47 8.154 7.952 0.202 1
1 488 . 7 1 1 A 47 47 LYS CA C 47 59.331 59.016 0.315 1
1 489 . 7 1 1 A 47 47 LYS HA H 47 3.939 4.117 -0.178 1
1 490 . 7 1 1 A 47 47 LYS CB C 47 33.065 32.929 0.136 1
1 502 . 7 1 1 A 47 47 LYS C C 47 178.108 178.990 -0.882 1
1 503 . 7 1 1 A 48 48 LYS N N 48 116.005 118.533 -2.528 1
1 504 . 7 1 1 A 48 48 LYS H H 48 7.976 8.169 -0.193 1
1 505 . 7 1 1 A 48 48 LYS CA C 48 58.650 58.566 0.084 1
1 506 . 7 1 1 A 48 48 LYS HA H 48 3.684 3.804 -0.120 1
1 507 . 7 1 1 A 48 48 LYS CB C 48 32.372 32.333 0.039 1
1 519 . 7 1 1 A 48 48 LYS C C 48 178.213 176.754 1.459 1
1 520 . 7 1 1 A 49 49 PHE N N 49 112.629 114.001 -1.372 1
1 521 . 7 1 1 A 49 49 PHE H H 49 7.658 8.320 -0.662 1
1 522 . 7 1 1 A 49 49 PHE CA C 49 56.958 56.196 0.762 1
1 523 . 7 1 1 A 49 49 PHE HA H 49 5.028 4.802 0.226 1
1 524 . 7 1 1 A 49 49 PHE CB C 49 40.496 37.828 2.668 1
1 537 . 7 1 1 A 49 49 PHE C C 49 176.188 175.691 0.497 1
1 538 . 7 1 1 A 50 50 GLY N N 50 108.499 108.366 0.133 1
1 539 . 7 1 1 A 50 50 GLY H H 50 7.821 8.443 -0.622 1
1 540 . 7 1 1 A 50 50 GLY CA C 50 46.579 47.030 -0.451 1
1 541 . 7 1 1 A 50 50 GLY HA2 H 50 3.953 3.898 0.055 1
1 542 . 7 1 1 A 50 50 GLY HA3 H 50 3.953 3.949 0.004 1
1 543 . 7 1 1 A 50 50 GLY C C 50 174.288 174.666 -0.378 1
1 544 . 7 1 1 A 51 51 GLY N N 51 108.968 114.614 -5.646 1
1 545 . 7 1 1 A 51 51 GLY H H 51 8.600 8.458 0.142 1
1 546 . 7 1 1 A 51 51 GLY CA C 51 46.597 45.705 0.892 1
1 547 . 7 1 1 A 51 51 GLY HA2 H 51 3.943 4.264 -0.321 1
1 548 . 7 1 1 A 51 51 GLY HA3 H 51 4.047 4.274 -0.227 1
1 549 . 7 1 1 A 51 51 GLY C C 51 174.522 175.397 -0.875 1
1 550 . 7 1 1 A 52 52 VAL N N 52 118.929 118.857 0.072 1
1 551 . 7 1 1 A 52 52 VAL H H 52 7.980 7.939 0.041 1
1 552 . 7 1 1 A 52 52 VAL CA C 52 68.080 65.629 2.451 1
1 553 . 7 1 1 A 52 52 VAL HA H 52 3.334 3.662 -0.328 1
1 554 . 7 1 1 A 52 52 VAL CB C 52 31.150 31.532 -0.382 1
1 564 . 7 1 1 A 52 52 VAL C C 52 177.566 177.371 0.195 1
1 565 . 7 1 1 A 53 53 GLN N N 53 116.880 121.708 -4.828 1
1 566 . 7 1 1 A 53 53 GLN H H 53 8.513 7.962 0.551 1
1 567 . 7 1 1 A 53 53 GLN CA C 53 58.730 59.083 -0.353 1
1 568 . 7 1 1 A 53 53 GLN HA H 53 3.946 3.942 0.004 1
1 569 . 7 1 1 A 53 53 GLN CB C 53 28.098 28.413 -0.315 1
1 578 . 7 1 1 A 53 53 GLN C C 53 177.916 178.138 -0.222 1
1 579 . 7 1 1 A 54 54 GLU N N 54 119.584 119.576 0.008 1
1 580 . 7 1 1 A 54 54 GLU H H 54 7.525 7.852 -0.327 1
1 581 . 7 1 1 A 54 54 GLU CA C 54 59.754 59.088 0.666 1
1 582 . 7 1 1 A 54 54 GLU HA H 54 3.980 4.050 -0.070 1
1 583 . 7 1 1 A 54 54 GLU CB C 54 29.509 29.510 -0.001 1
1 589 . 7 1 1 A 54 54 GLU C C 54 180.168 179.732 0.436 1
1 590 . 7 1 1 A 55 55 LEU N N 55 121.130 120.516 0.614 1
1 591 . 7 1 1 A 55 55 LEU H H 55 8.437 7.938 0.499 1
1 592 . 7 1 1 A 55 55 LEU CA C 55 58.005 57.759 0.246 1
1 593 . 7 1 1 A 55 55 LEU HA H 55 3.870 3.937 -0.067 1
1 594 . 7 1 1 A 55 55 LEU CB C 55 42.588 41.488 1.100 1
1 607 . 7 1 1 A 55 55 LEU C C 55 180.835 179.463 1.372 1
1 608 . 7 1 1 A 56 56 LEU N N 56 123.508 118.844 4.664 1
1 609 . 7 1 1 A 56 56 LEU H H 56 8.664 8.116 0.548 1
1 610 . 7 1 1 A 56 56 LEU CA C 56 58.397 57.896 0.501 1
1 611 . 7 1 1 A 56 56 LEU HA H 56 3.972 3.910 0.062 1
1 612 . 7 1 1 A 56 56 LEU CB C 56 42.087 41.097 0.990 1
1 625 . 7 1 1 A 56 56 LEU C C 56 181.257 179.200 2.057 1
1 626 . 7 1 1 A 57 57 ASN N N 57 116.946 118.526 -1.580 1
1 627 . 7 1 1 A 57 57 ASN H H 57 8.334 8.022 0.312 1
1 628 . 7 1 1 A 57 57 ASN CA C 57 54.627 56.567 -1.940 1
1 629 . 7 1 1 A 57 57 ASN HA H 57 4.566 4.386 0.180 1
1 630 . 7 1 1 A 57 57 ASN CB C 57 38.170 37.997 0.173 1
1 636 . 7 1 1 A 57 57 ASN C C 57 176.756 177.847 -1.091 1
1 637 . 7 1 1 A 58 58 GLN N N 58 118.214 116.635 1.579 1
1 638 . 7 1 1 A 58 58 GLN H H 58 7.670 7.655 0.015 1
1 639 . 7 1 1 A 58 58 GLN CA C 58 58.022 56.571 1.451 1
1 640 . 7 1 1 A 58 58 GLN HA H 58 4.184 4.295 -0.111 1
1 641 . 7 1 1 A 58 58 GLN CB C 58 28.460 29.121 -0.661 1
1 650 . 7 1 1 A 58 58 GLN C C 58 175.792 175.464 0.328 1
1 651 . 7 1 1 A 59 59 GLN N N 59 114.113 116.071 -1.958 1
1 652 . 7 1 1 A 59 59 GLN H H 59 7.825 8.058 -0.233 1
1 653 . 7 1 1 A 59 59 GLN CA C 59 56.584 56.874 -0.290 1
1 654 . 7 1 1 A 59 59 GLN HA H 59 4.015 3.798 0.217 1
1 655 . 7 1 1 A 59 59 GLN CB C 59 26.829 26.185 0.644 1
1 664 . 7 1 1 A 59 59 GLN C C 59 175.049 175.025 0.024 1
1 665 . 7 1 1 A 60 60 LYS N N 60 118.472 118.748 -0.276 1
1 666 . 7 1 1 A 60 60 LYS H H 60 9.134 8.136 0.998 1
1 667 . 7 1 1 A 60 60 LYS CA C 60 54.005 56.314 -2.309 1
1 668 . 7 1 1 A 60 60 LYS HA H 60 4.458 4.380 0.078 1
1 669 . 7 1 1 A 60 60 LYS CB C 60 32.573 33.958 -1.385 1
1 681 . 7 1 1 A 60 60 LYS C C 60 176.936 175.437 1.499 1
1 682 . 7 1 1 A 61 61 LYS N N 61 121.877 119.786 2.091 1
1 683 . 7 1 1 A 61 61 LYS H H 61 9.069 8.717 0.352 1
1 684 . 7 1 1 A 61 61 LYS CA C 61 53.421 54.236 -0.815 1
1 685 . 7 1 1 A 61 61 LYS HA H 61 4.517 4.827 -0.310 1
1 686 . 7 1 1 A 61 61 LYS CB C 61 35.816 36.500 -0.684 1
1 698 . 7 1 1 A 61 61 LYS C C 61 175.049 176.233 -1.184 1
1 699 . 7 1 1 A 62 62 SER N N 62 114.153 118.661 -4.508 1
1 700 . 7 1 1 A 62 62 SER H H 62 8.524 8.273 0.251 1
1 701 . 7 1 1 A 62 62 SER CA C 62 60.959 60.541 0.418 1
1 702 . 7 1 1 A 62 62 SER HA H 62 3.954 4.368 -0.414 1
1 703 . 7 1 1 A 62 62 SER CB C 62 64.374 62.886 1.488 1
1 706 . 7 1 1 A 62 62 SER C C 62 175.660 175.506 0.154 1
1 707 . 7 1 1 A 63 63 GLY N N 63 111.615 113.232 -1.617 1
1 708 . 7 1 1 A 63 63 GLY H H 63 9.308 8.567 0.741 1
1 709 . 7 1 1 A 63 63 GLY CA C 63 44.971 45.197 -0.226 1
1 710 . 7 1 1 A 63 63 GLY HA2 H 63 4.188 4.005 0.183 1
1 711 . 7 1 1 A 63 63 GLY HA3 H 63 4.188 4.011 0.177 1
1 712 . 7 1 1 A 63 63 GLY C C 63 172.420 174.129 -1.709 1
1 713 . 7 1 1 A 64 64 GLU N N 64 117.287 119.830 -2.543 1
1 714 . 7 1 1 A 64 64 GLU H H 64 7.909 8.007 -0.098 1
1 715 . 7 1 1 A 64 64 GLU CA C 64 53.972 55.038 -1.066 1
1 716 . 7 1 1 A 64 64 GLU HA H 64 4.549 4.731 -0.182 1
1 717 . 7 1 1 A 64 64 GLU CB C 64 32.449 31.964 0.485 1
1 723 . 7 1 1 A 64 64 GLU C C 64 174.611 174.860 -0.249 1
1 724 . 7 1 1 A 65 65 VAL N N 65 118.093 121.177 -3.084 1
1 725 . 7 1 1 A 65 65 VAL H H 65 8.337 8.972 -0.635 1
1 726 . 7 1 1 A 65 65 VAL CA C 65 59.380 59.887 -0.507 1
1 727 . 7 1 1 A 65 65 VAL HA H 65 5.149 4.942 0.207 1
1 728 . 7 1 1 A 65 65 VAL CB C 65 35.892 35.433 0.459 1
1 738 . 7 1 1 A 65 65 VAL C C 65 172.013 173.358 -1.345 1
1 739 . 7 1 1 A 66 66 ALA N N 66 130.790 131.067 -0.277 1
1 740 . 7 1 1 A 66 66 ALA H H 66 8.876 8.667 0.209 1
1 741 . 7 1 1 A 66 66 ALA CA C 66 50.170 50.706 -0.536 1
1 742 . 7 1 1 A 66 66 ALA HA H 66 4.879 5.408 -0.529 1
1 743 . 7 1 1 A 66 66 ALA CB C 66 21.291 21.149 0.142 1
1 747 . 7 1 1 A 66 66 ALA C C 66 175.997 176.418 -0.421 1
1 748 . 7 1 1 A 67 67 VAL N N 67 119.453 121.201 -1.748 1
1 749 . 7 1 1 A 67 67 VAL H H 67 8.615 8.280 0.335 1
1 750 . 7 1 1 A 67 67 VAL CA C 67 61.078 61.040 0.038 1
1 751 . 7 1 1 A 67 67 VAL HA H 67 5.255 5.190 0.065 1
1 752 . 7 1 1 A 67 67 VAL CB C 67 36.283 34.136 2.147 1
1 762 . 7 1 1 A 67 67 VAL C C 67 176.213 174.298 1.915 1
1 763 . 7 1 1 A 68 68 LEU N N 68 126.404 129.158 -2.754 1
1 764 . 7 1 1 A 68 68 LEU H H 68 9.013 8.897 0.116 1
1 765 . 7 1 1 A 68 68 LEU CA C 68 53.424 53.680 -0.256 1
1 766 . 7 1 1 A 68 68 LEU HA H 68 4.809 4.990 -0.181 1
1 767 . 7 1 1 A 68 68 LEU CB C 68 46.473 46.130 0.343 1
1 780 . 7 1 1 A 68 68 LEU C C 68 174.704 174.511 0.193 1
1 781 . 7 1 1 A 69 69 LYS N N 69 123.462 128.433 -4.971 1
1 782 . 7 1 1 A 69 69 LYS H H 69 8.756 9.057 -0.301 1
1 783 . 7 1 1 A 69 69 LYS CA C 69 55.228 55.937 -0.709 1
1 784 . 7 1 1 A 69 69 LYS HA H 69 4.791 5.143 -0.352 1
1 785 . 7 1 1 A 69 69 LYS CB C 69 33.820 33.490 0.330 1
1 797 . 7 1 1 A 69 69 LYS C C 69 177.387 175.463 1.924 1
1 798 . 7 1 1 A 70 70 ARG N N 70 127.852 125.904 1.948 1
1 799 . 7 1 1 A 70 70 ARG H H 70 8.688 8.931 -0.243 1
1 800 . 7 1 1 A 70 70 ARG CA C 70 52.929 54.017 -1.088 1
1 801 . 7 1 1 A 70 70 ARG CB C 70 34.028 33.986 0.042 1
1 809 . 7 1 1 A 70 70 ARG C C 70 175.460 175.166 0.294 1
1 810 . 7 1 1 A 71 71 ASP CA C 71 55.193 55.410 -0.217 1
1 811 . 7 1 1 A 71 71 ASP HA H 71 4.268 4.348 -0.080 1
1 812 . 7 1 1 A 71 71 ASP CB C 71 40.326 39.701 0.625 1
1 815 . 7 1 1 A 71 71 ASP C C 71 175.970 176.244 -0.274 1
1 816 . 7 1 1 A 72 72 GLY N N 72 104.319 103.893 0.426 1
1 817 . 7 1 1 A 72 72 GLY H H 72 8.642 8.637 0.005 1
1 818 . 7 1 1 A 72 72 GLY CA C 72 45.692 46.610 -0.918 1
1 819 . 7 1 1 A 72 72 GLY HA2 H 72 4.062 3.862 0.200 1
1 820 . 7 1 1 A 72 72 GLY HA3 H 72 3.516 3.876 -0.360 1
1 821 . 7 1 1 A 72 72 GLY C C 72 172.604 173.301 -0.697 1
1 822 . 7 1 1 A 73 73 ARG N N 73 118.257 114.507 3.750 1
1 823 . 7 1 1 A 73 73 ARG H H 73 7.794 7.560 0.234 1
1 824 . 7 1 1 A 73 73 ARG CA C 73 52.893 54.257 -1.364 1
1 825 . 7 1 1 A 73 73 ARG HA H 73 4.560 4.345 0.215 1
1 826 . 7 1 1 A 73 73 ARG CB C 73 31.831 32.487 -0.656 1
1 837 . 7 1 1 A 73 73 ARG C C 73 173.057 173.660 -0.603 1
1 838 . 7 1 1 A 74 74 TYR N N 74 117.830 119.838 -2.008 1
1 839 . 7 1 1 A 74 74 TYR H H 74 8.366 8.075 0.291 1
1 840 . 7 1 1 A 74 74 TYR CA C 74 57.987 57.226 0.761 1
1 841 . 7 1 1 A 74 74 TYR HA H 74 5.005 5.234 -0.229 1
1 842 . 7 1 1 A 74 74 TYR CB C 74 40.473 40.020 0.453 1
1 853 . 7 1 1 A 74 74 TYR C C 74 173.530 174.636 -1.106 1
1 854 . 7 1 1 A 75 75 ILE N N 75 120.880 123.994 -3.114 1
1 855 . 7 1 1 A 75 75 ILE H H 75 8.923 9.143 -0.220 1
1 856 . 7 1 1 A 75 75 ILE CA C 75 59.632 59.753 -0.121 1
1 857 . 7 1 1 A 75 75 ILE HA H 75 4.398 4.802 -0.404 1
1 858 . 7 1 1 A 75 75 ILE CB C 75 37.608 39.231 -1.623 1
1 871 . 7 1 1 A 75 75 ILE C C 75 174.203 174.609 -0.406 1
1 872 . 7 1 1 A 76 76 TYR N N 76 125.586 127.492 -1.906 1
1 873 . 7 1 1 A 76 76 TYR H H 76 9.540 8.871 0.669 1
1 874 . 7 1 1 A 76 76 TYR CA C 76 59.137 56.961 2.176 1
1 875 . 7 1 1 A 76 76 TYR HA H 76 4.630 5.671 -1.041 1
1 876 . 7 1 1 A 76 76 TYR CB C 76 39.909 41.445 -1.536 1
1 887 . 7 1 1 A 76 76 TYR C C 76 174.280 175.045 -0.765 1
1 888 . 7 1 1 A 77 77 TYR N N 77 123.524 121.534 1.990 1
1 889 . 7 1 1 A 77 77 TYR H H 77 9.221 9.088 0.133 1
1 890 . 7 1 1 A 77 77 TYR CA C 77 55.476 56.379 -0.903 1
1 891 . 7 1 1 A 77 77 TYR HA H 77 4.155 5.526 -1.371 1
1 892 . 7 1 1 A 77 77 TYR CB C 77 35.926 39.268 -3.342 1
1 903 . 7 1 1 A 77 77 TYR C C 77 174.236 174.966 -0.730 1
1 904 . 7 1 1 A 78 78 LEU N N 78 123.875 125.768 -1.893 1
1 905 . 7 1 1 A 78 78 LEU H H 78 8.948 8.970 -0.022 1
1 906 . 7 1 1 A 78 78 LEU CA C 78 55.635 55.847 -0.212 1
1 907 . 7 1 1 A 78 78 LEU HA H 78 4.134 4.309 -0.175 1
1 908 . 7 1 1 A 78 78 LEU CB C 78 40.856 41.599 -0.743 1
1 921 . 7 1 1 A 78 78 LEU C C 78 175.294 176.288 -0.994 1
1 922 . 7 1 1 A 79 79 ILE N N 79 127.986 125.556 2.430 1
1 923 . 7 1 1 A 79 79 ILE H H 79 8.322 8.587 -0.265 1
1 924 . 7 1 1 A 79 79 ILE CA C 79 59.349 60.340 -0.991 1
1 925 . 7 1 1 A 79 79 ILE HA H 79 4.372 4.481 -0.109 1
1 926 . 7 1 1 A 79 79 ILE CB C 79 34.277 37.971 -3.694 1
1 939 . 7 1 1 A 79 79 ILE C C 79 176.505 176.332 0.173 1
1 940 . 7 1 1 A 80 80 THR N N 80 113.978 118.321 -4.343 1
1 941 . 7 1 1 A 80 80 THR H H 80 8.276 8.805 -0.529 1
1 942 . 7 1 1 A 80 80 THR CA C 80 61.646 62.120 -0.474 1
1 943 . 7 1 1 A 80 80 THR HA H 80 4.334 4.591 -0.257 1
1 944 . 7 1 1 A 80 80 THR CB C 80 69.165 70.153 -0.988 1
1 950 . 7 1 1 A 80 80 THR C C 80 172.999 174.277 -1.278 1
1 951 . 7 1 1 A 81 81 LYS N N 81 114.856 119.631 -4.775 1
1 952 . 7 1 1 A 81 81 LYS H H 81 7.512 7.647 -0.135 1
1 953 . 7 1 1 A 81 81 LYS CA C 81 54.894 55.033 -0.139 1
1 954 . 7 1 1 A 81 81 LYS HA H 81 4.649 4.748 -0.099 1
1 955 . 7 1 1 A 81 81 LYS CB C 81 34.139 34.741 -0.602 1
1 964 . 7 1 1 A 81 81 LYS C C 81 175.344 176.377 -1.033 1
1 965 . 7 1 1 A 82 82 LYS N N 82 121.209 121.486 -0.277 1
1 966 . 7 1 1 A 82 82 LYS H H 82 9.577 8.924 0.653 1
1 967 . 7 1 1 A 82 82 LYS CA C 82 60.198 58.006 2.192 1
1 968 . 7 1 1 A 82 82 LYS HA H 82 3.884 4.196 -0.312 1
1 969 . 7 1 1 A 82 82 LYS CB C 82 33.603 33.524 0.079 1
1 981 . 7 1 1 A 82 82 LYS C C 82 176.049 175.940 0.109 1
1 982 . 7 1 1 A 83 83 ARG N N 83 112.456 117.090 -4.634 1
1 983 . 7 1 1 A 83 83 ARG H H 83 6.717 7.676 -0.959 1
1 984 . 7 1 1 A 83 83 ARG CA C 83 52.451 54.116 -1.665 1
1 985 . 7 1 1 A 83 83 ARG HA H 83 4.691 4.727 -0.036 1
1 986 . 7 1 1 A 83 83 ARG CB C 83 32.857 33.814 -0.957 1
1 995 . 7 1 1 A 83 83 ARG C C 83 177.299 176.423 0.876 1
1 996 . 7 1 1 A 84 84 ALA N N 84 124.857 125.520 -0.663 1
1 997 . 7 1 1 A 84 84 ALA H H 84 9.290 8.908 0.382 1
1 998 . 7 1 1 A 84 84 ALA CA C 84 56.005 55.752 0.253 1
1 999 . 7 1 1 A 84 84 ALA HA H 84 3.895 3.974 -0.079 1
1 1000 . 7 1 1 A 84 84 ALA CB C 84 19.175 18.386 0.789 1
1 1004 . 7 1 1 A 84 84 ALA C C 84 178.350 179.104 -0.754 1
1 1005 . 7 1 1 A 85 85 SER CA C 85 58.631 61.341 -2.710 1
1 1006 . 7 1 1 A 85 85 SER HA H 85 4.338 4.019 0.319 1
1 1007 . 7 1 1 A 85 85 SER CB C 85 63.277 62.744 0.533 1
1 1010 . 7 1 1 A 85 85 SER C C 85 175.469 174.422 1.047 1
1 1011 . 7 1 1 A 86 86 HIS N N 86 121.978 117.456 4.522 1
1 1012 . 7 1 1 A 86 86 HIS H H 86 7.560 8.039 -0.479 1
1 1013 . 7 1 1 A 86 86 HIS CA C 86 54.468 55.330 -0.862 1
1 1014 . 7 1 1 A 86 86 HIS HA H 86 4.766 4.749 0.017 1
1 1015 . 7 1 1 A 86 86 HIS CB C 86 33.069 30.170 2.899 1
1 1022 . 7 1 1 A 86 86 HIS C C 86 174.466 174.448 0.018 1
1 1023 . 7 1 1 A 87 87 LYS N N 87 122.014 125.728 -3.714 1
1 1024 . 7 1 1 A 87 87 LYS H H 87 8.693 8.633 0.060 1
1 1025 . 7 1 1 A 87 87 LYS CA C 87 53.283 54.582 -1.299 1
1 1026 . 7 1 1 A 87 87 LYS HA H 87 4.792 4.472 0.320 1
1 1027 . 7 1 1 A 87 87 LYS CB C 87 32.803 31.858 0.945 1
1 1037 . 7 1 1 A 87 87 LYS C C 87 175.072 174.653 0.419 1
1 1038 . 7 1 1 A 88 88 PRO CA C 88 62.515 62.653 -0.138 1
1 1039 . 7 1 1 A 88 88 PRO HA H 88 4.796 4.670 0.126 1
1 1040 . 7 1 1 A 88 88 PRO CB C 88 32.687 32.761 -0.074 1
1 1049 . 7 1 1 A 88 88 PRO C C 88 175.319 176.245 -0.926 1
1 1050 . 7 1 1 A 89 89 THR N N 89 107.501 112.468 -4.967 1
1 1051 . 7 1 1 A 89 89 THR H H 89 7.933 8.223 -0.290 1
1 1052 . 7 1 1 A 89 89 THR CA C 89 58.518 59.837 -1.319 1
1 1053 . 7 1 1 A 89 89 THR HA H 89 4.758 4.519 0.239 1
1 1054 . 7 1 1 A 89 89 THR CB C 89 70.861 71.162 -0.301 1
1 1060 . 7 1 1 A 89 89 THR C C 89 175.662 175.733 -0.071 1
1 1061 . 7 1 1 A 90 90 TYR N N 90 120.845 124.237 -3.392 1
1 1062 . 7 1 1 A 90 90 TYR H H 90 8.751 8.812 -0.061 1
1 1063 . 7 1 1 A 90 90 TYR CA C 90 63.195 61.086 2.109 1
1 1064 . 7 1 1 A 90 90 TYR HA H 90 4.064 4.182 -0.118 1
1 1065 . 7 1 1 A 90 90 TYR CB C 90 37.372 37.963 -0.591 1
1 1076 . 7 1 1 A 90 90 TYR C C 90 178.063 178.109 -0.046 1
1 1077 . 7 1 1 A 91 91 GLU N N 91 118.210 120.055 -1.845 1
1 1078 . 7 1 1 A 91 91 GLU H H 91 8.857 8.305 0.552 1
1 1079 . 7 1 1 A 91 91 GLU CA C 91 60.312 59.711 0.601 1
1 1080 . 7 1 1 A 91 91 GLU HA H 91 4.114 4.021 0.093 1
1 1081 . 7 1 1 A 91 91 GLU CB C 91 29.276 29.212 0.064 1
1 1087 . 7 1 1 A 91 91 GLU C C 91 178.970 179.270 -0.300 1
1 1088 . 7 1 1 A 92 92 ASN N N 92 117.220 118.313 -1.093 1
1 1089 . 7 1 1 A 92 92 ASN H H 92 7.894 8.051 -0.157 1
1 1090 . 7 1 1 A 92 92 ASN CA C 92 55.334 56.405 -1.071 1
1 1091 . 7 1 1 A 92 92 ASN HA H 92 4.696 4.542 0.154 1
1 1092 . 7 1 1 A 92 92 ASN CB C 92 37.704 37.858 -0.154 1
1 1098 . 7 1 1 A 92 92 ASN C C 92 178.155 177.713 0.442 1
1 1099 . 7 1 1 A 93 93 LEU N N 93 121.622 121.506 0.116 1
1 1100 . 7 1 1 A 93 93 LEU H H 93 8.038 8.266 -0.228 1
1 1101 . 7 1 1 A 93 93 LEU CA C 93 58.495 58.900 -0.405 1
1 1102 . 7 1 1 A 93 93 LEU HA H 93 4.092 4.000 0.092 1
1 1103 . 7 1 1 A 93 93 LEU CB C 93 41.383 42.021 -0.638 1
1 1116 . 7 1 1 A 93 93 LEU C C 93 177.808 178.546 -0.738 1
1 1117 . 7 1 1 A 94 94 GLN N N 94 120.352 118.245 2.107 1
1 1118 . 7 1 1 A 94 94 GLN H H 94 8.792 8.154 0.638 1
1 1119 . 7 1 1 A 94 94 GLN CA C 94 61.099 59.266 1.833 1
1 1120 . 7 1 1 A 94 94 GLN HA H 94 3.721 4.005 -0.284 1
1 1121 . 7 1 1 A 94 94 GLN CB C 94 27.560 28.459 -0.899 1
1 1130 . 7 1 1 A 94 94 GLN C C 94 178.042 178.370 -0.328 1
1 1131 . 7 1 1 A 95 95 LYS N N 95 117.824 119.081 -1.257 1
1 1132 . 7 1 1 A 95 95 LYS H H 95 7.803 7.598 0.205 1
1 1133 . 7 1 1 A 95 95 LYS CA C 95 60.222 59.350 0.872 1
1 1134 . 7 1 1 A 95 95 LYS HA H 95 4.012 4.049 -0.037 1
1 1135 . 7 1 1 A 95 95 LYS CB C 95 33.168 32.448 0.720 1
1 1147 . 7 1 1 A 95 95 LYS C C 95 179.868 178.967 0.901 1
1 1148 . 7 1 1 A 96 96 SER N N 96 118.301 114.127 4.174 1
1 1149 . 7 1 1 A 96 96 SER H H 96 8.251 8.543 -0.292 1
1 1150 . 7 1 1 A 96 96 SER CA C 96 63.668 61.883 1.785 1
1 1151 . 7 1 1 A 96 96 SER HA H 96 3.710 4.168 -0.458 1
1 1152 . 7 1 1 A 96 96 SER CB C 96 62.882 62.639 0.243 1
1 1155 . 7 1 1 A 96 96 SER C C 96 176.400 177.515 -1.115 1
1 1156 . 7 1 1 A 97 97 LEU N N 97 122.701 122.347 0.354 1
1 1157 . 7 1 1 A 97 97 LEU H H 97 8.467 8.222 0.245 1
1 1158 . 7 1 1 A 97 97 LEU CA C 97 58.323 57.957 0.366 1
1 1159 . 7 1 1 A 97 97 LEU HA H 97 3.861 4.049 -0.188 1
1 1160 . 7 1 1 A 97 97 LEU CB C 97 42.995 41.373 1.622 1
1 1173 . 7 1 1 A 97 97 LEU C C 97 178.941 179.405 -0.464 1
1 1174 . 7 1 1 A 98 98 GLU N N 98 119.918 118.742 1.176 1
1 1175 . 7 1 1 A 98 98 GLU H H 98 8.410 8.742 -0.332 1
1 1176 . 7 1 1 A 98 98 GLU CA C 98 59.561 59.498 0.063 1
1 1177 . 7 1 1 A 98 98 GLU HA H 98 3.622 3.886 -0.264 1
1 1178 . 7 1 1 A 98 98 GLU CB C 98 29.142 28.218 0.924 1
1 1184 . 7 1 1 A 98 98 GLU C C 98 179.137 178.114 1.023 1
1 1185 . 7 1 1 A 99 99 ALA N N 99 124.193 123.008 1.185 1
1 1186 . 7 1 1 A 99 99 ALA H H 99 8.197 8.054 0.143 1
1 1187 . 7 1 1 A 99 99 ALA CA C 99 55.016 54.385 0.631 1
1 1188 . 7 1 1 A 99 99 ALA HA H 99 4.247 4.230 0.017 1
1 1189 . 7 1 1 A 99 99 ALA CB C 99 17.815 18.804 -0.989 1
1 1193 . 7 1 1 A 99 99 ALA C C 99 181.133 179.049 2.084 1
1 1194 . 7 1 1 A 100 100 MET N N 100 122.009 118.281 3.728 1
1 1195 . 7 1 1 A 100 100 MET H H 100 8.482 7.965 0.517 1
1 1196 . 7 1 1 A 100 100 MET CA C 100 59.826 58.152 1.674 1
1 1197 . 7 1 1 A 100 100 MET HA H 100 3.714 4.085 -0.371 1
1 1198 . 7 1 1 A 100 100 MET CB C 100 32.944 32.192 0.752 1
1 1208 . 7 1 1 A 100 100 MET C C 100 176.658 177.851 -1.193 1
1 1209 . 7 1 1 A 101 101 LYS N N 101 120.991 118.435 2.556 1
1 1210 . 7 1 1 A 101 101 LYS H H 101 8.721 7.749 0.972 1
1 1211 . 7 1 1 A 101 101 LYS CA C 101 60.563 58.854 1.709 1
1 1212 . 7 1 1 A 101 101 LYS HA H 101 3.614 4.054 -0.440 1
1 1213 . 7 1 1 A 101 101 LYS CB C 101 30.759 31.987 -1.228 1
1 1225 . 7 1 1 A 101 101 LYS C C 101 177.419 178.270 -0.851 1
1 1226 . 7 1 1 A 102 102 SER N N 102 111.833 114.613 -2.780 1
1 1227 . 7 1 1 A 102 102 SER H H 102 8.005 8.085 -0.080 1
1 1228 . 7 1 1 A 102 102 SER CA C 102 61.993 61.776 0.217 1
1 1229 . 7 1 1 A 102 102 SER HA H 102 4.082 4.094 -0.012 1
1 1230 . 7 1 1 A 102 102 SER CB C 102 62.863 63.053 -0.190 1
1 1233 . 7 1 1 A 102 102 SER C C 102 176.601 176.984 -0.383 1
1 1234 . 7 1 1 A 103 103 HIS N N 103 121.793 120.901 0.892 1
1 1235 . 7 1 1 A 103 103 HIS H H 103 7.605 8.023 -0.418 1
1 1236 . 7 1 1 A 103 103 HIS CA C 103 62.090 60.035 2.055 1
1 1237 . 7 1 1 A 103 103 HIS HA H 103 4.000 4.225 -0.225 1
1 1238 . 7 1 1 A 103 103 HIS CB C 103 30.652 29.802 0.850 1
1 1245 . 7 1 1 A 103 103 HIS C C 103 179.129 176.601 2.528 1
1 1246 . 7 1 1 A 104 104 CYS N N 104 119.421 116.495 2.926 1
1 1247 . 7 1 1 A 104 104 CYS H H 104 9.261 8.132 1.129 1
1 1248 . 7 1 1 A 104 104 CYS CA C 104 63.841 63.698 0.143 1
1 1249 . 7 1 1 A 104 104 CYS HA H 104 4.105 4.277 -0.172 1
1 1250 . 7 1 1 A 104 104 CYS CB C 104 27.916 26.771 1.145 1
1 1253 . 7 1 1 A 104 104 CYS C C 104 178.176 177.216 0.960 1
1 1254 . 7 1 1 A 105 105 LEU N N 105 117.129 120.597 -3.468 1
1 1255 . 7 1 1 A 105 105 LEU H H 105 8.331 7.848 0.483 1
1 1256 . 7 1 1 A 105 105 LEU CA C 105 57.262 58.115 -0.853 1
1 1257 . 7 1 1 A 105 105 LEU HA H 105 4.245 3.953 0.292 1
1 1258 . 7 1 1 A 105 105 LEU CB C 105 42.030 41.813 0.217 1
1 1271 . 7 1 1 A 105 105 LEU C C 105 180.635 178.936 1.699 1
1 1272 . 7 1 1 A 106 106 LYS N N 106 118.583 116.966 1.617 1
1 1273 . 7 1 1 A 106 106 LYS H H 106 7.638 8.156 -0.518 1
1 1274 . 7 1 1 A 106 106 LYS CA C 106 58.075 60.161 -2.086 1
1 1275 . 7 1 1 A 106 106 LYS HA H 106 4.140 3.921 0.219 1
1 1276 . 7 1 1 A 106 106 LYS CB C 106 33.191 32.280 0.911 1
1 1288 . 7 1 1 A 106 106 LYS C C 106 177.466 178.602 -1.136 1
1 1289 . 7 1 1 A 107 107 ASN N N 107 113.320 114.728 -1.408 1
1 1290 . 7 1 1 A 107 107 ASN H H 107 7.606 7.837 -0.231 1
1 1291 . 7 1 1 A 107 107 ASN CA C 107 53.813 55.193 -1.380 1
1 1292 . 7 1 1 A 107 107 ASN HA H 107 4.841 4.593 0.248 1
1 1293 . 7 1 1 A 107 107 ASN CB C 107 39.785 38.349 1.436 1
1 1299 . 7 1 1 A 107 107 ASN C C 107 174.443 175.473 -1.030 1
1 1300 . 7 1 1 A 108 108 GLY N N 108 109.386 107.951 1.435 1
1 1301 . 7 1 1 A 108 108 GLY H H 108 7.667 7.880 -0.213 1
1 1302 . 7 1 1 A 108 108 GLY CA C 108 47.252 45.033 2.219 1
1 1303 . 7 1 1 A 108 108 GLY HA2 H 108 4.023 4.084 -0.061 1
1 1304 . 7 1 1 A 108 108 GLY HA3 H 108 4.023 4.090 -0.067 1
1 1305 . 7 1 1 A 108 108 GLY C C 108 174.436 174.528 -0.092 1
1 1306 . 7 1 1 A 109 109 VAL N N 109 122.758 121.301 1.457 1
1 1307 . 7 1 1 A 109 109 VAL H H 109 8.480 8.220 0.260 1
1 1308 . 7 1 1 A 109 109 VAL CA C 109 63.788 61.803 1.985 1
1 1309 . 7 1 1 A 109 109 VAL HA H 109 4.094 4.304 -0.210 1
1 1310 . 7 1 1 A 109 109 VAL CB C 109 32.931 30.660 2.271 1
1 1320 . 7 1 1 A 109 109 VAL C C 109 176.089 175.911 0.178 1
1 1321 . 7 1 1 A 110 110 THR N N 110 115.431 123.049 -7.618 1
1 1322 . 7 1 1 A 110 110 THR H H 110 8.995 8.762 0.233 1
1 1323 . 7 1 1 A 110 110 THR CA C 110 62.045 64.721 -2.676 1
1 1324 . 7 1 1 A 110 110 THR HA H 110 4.515 4.441 0.074 1
1 1325 . 7 1 1 A 110 110 THR CB C 110 70.758 69.701 1.057 1
1 1331 . 7 1 1 A 110 110 THR C C 110 173.700 174.077 -0.377 1
1 1332 . 7 1 1 A 111 111 ASP N N 111 123.757 120.398 3.359 1
1 1333 . 7 1 1 A 111 111 ASP H H 111 8.123 7.824 0.299 1
1 1334 . 7 1 1 A 111 111 ASP CA C 111 54.747 53.840 0.907 1
1 1335 . 7 1 1 A 111 111 ASP HA H 111 5.527 5.071 0.456 1
1 1336 . 7 1 1 A 111 111 ASP CB C 111 43.928 42.014 1.914 1
1 1339 . 7 1 1 A 111 111 ASP C C 111 172.807 175.409 -2.602 1
1 1340 . 7 1 1 A 112 112 LEU N N 112 123.145 124.852 -1.707 1
1 1341 . 7 1 1 A 112 112 LEU H H 112 8.671 8.854 -0.183 1
1 1342 . 7 1 1 A 112 112 LEU CA C 112 52.953 53.784 -0.831 1
1 1343 . 7 1 1 A 112 112 LEU HA H 112 5.213 5.154 0.059 1
1 1344 . 7 1 1 A 112 112 LEU CB C 112 47.875 46.715 1.160 1
1 1357 . 7 1 1 A 112 112 LEU C C 112 176.803 173.697 3.106 1
1 1358 . 7 1 1 A 113 113 SER N N 113 122.973 120.567 2.406 1
1 1359 . 7 1 1 A 113 113 SER H H 113 9.473 8.374 1.099 1
1 1360 . 7 1 1 A 113 113 SER CA C 113 59.207 57.221 1.986 1
1 1361 . 7 1 1 A 113 113 SER HA H 113 6.070 5.602 0.468 1
1 1362 . 7 1 1 A 113 113 SER CB C 113 67.023 66.089 0.934 1
1 1365 . 7 1 1 A 113 113 SER C C 113 172.066 173.166 -1.100 1
1 1366 . 7 1 1 A 114 114 MET N N 114 118.476 121.814 -3.338 1
1 1367 . 7 1 1 A 114 114 MET H H 114 9.080 8.822 0.258 1
1 1368 . 7 1 1 A 114 114 MET CA C 114 54.007 53.285 0.722 1
1 1369 . 7 1 1 A 114 114 MET HA H 114 5.435 5.087 0.348 1
1 1370 . 7 1 1 A 114 114 MET CB C 114 34.867 36.088 -1.221 1
1 1380 . 7 1 1 A 114 114 MET C C 114 172.934 174.146 -1.212 1
1 1381 . 7 1 1 A 115 115 PRO CA C 115 62.262 62.237 0.025 1
1 1382 . 7 1 1 A 115 115 PRO HA H 115 5.593 4.681 0.912 1
1 1383 . 7 1 1 A 115 115 PRO CB C 115 32.748 33.198 -0.450 1
1 1392 . 7 1 1 A 115 115 PRO C C 115 175.547 176.006 -0.459 1
1 1393 . 7 1 1 A 116 116 ARG N N 116 116.821 120.742 -3.921 1
1 1394 . 7 1 1 A 116 116 ARG H H 116 8.348 8.420 -0.072 1
1 1395 . 7 1 1 A 116 116 ARG CA C 116 55.785 55.988 -0.203 1
1 1396 . 7 1 1 A 116 116 ARG HA H 116 3.896 4.114 -0.218 1
1 1397 . 7 1 1 A 116 116 ARG CB C 116 27.344 30.560 -3.216 1
1 1406 . 7 1 1 A 116 116 ARG C C 116 176.796 176.065 0.731 1
1 1407 . 7 1 1 A 117 117 ILE N N 117 122.887 119.090 3.797 1
1 1408 . 7 1 1 A 117 117 ILE H H 117 7.989 8.326 -0.337 1
1 1409 . 7 1 1 A 117 117 ILE CA C 117 63.148 59.132 4.016 1
1 1410 . 7 1 1 A 117 117 ILE HA H 117 4.028 4.693 -0.665 1
1 1411 . 7 1 1 A 117 117 ILE CB C 117 40.010 41.074 -1.064 1
1 1424 . 7 1 1 A 117 117 ILE C C 117 174.324 175.723 -1.399 1
1 1425 . 7 1 1 A 118 118 GLY N N 118 107.320 112.600 -5.280 1
1 1426 . 7 1 1 A 118 118 GLY H H 118 8.662 8.971 -0.309 1
1 1427 . 7 1 1 A 118 118 GLY CA C 118 45.752 47.236 -1.484 1
1 1428 . 7 1 1 A 118 118 GLY HA2 H 118 3.693 3.944 -0.251 1
1 1429 . 7 1 1 A 118 118 GLY HA3 H 118 4.226 3.984 0.242 1
1 1430 . 7 1 1 A 118 118 GLY C C 118 172.861 174.644 -1.783 1
1 1431 . 7 1 1 A 119 119 CYS N N 119 115.336 119.201 -3.865 1
1 1432 . 7 1 1 A 119 119 CYS H H 119 7.445 8.070 -0.625 1
1 1433 . 7 1 1 A 119 119 CYS CA C 119 58.753 61.521 -2.768 1
1 1434 . 7 1 1 A 119 119 CYS HA H 119 4.831 4.583 0.248 1
1 1435 . 7 1 1 A 119 119 CYS CB C 119 28.840 28.343 0.497 1
1 1438 . 7 1 1 A 121 121 LEU CA C 121 57.692 57.794 -0.102 1
1 1439 . 7 1 1 A 121 121 LEU HA H 121 4.152 3.929 0.223 1
1 1440 . 7 1 1 A 121 121 LEU CB C 121 41.644 41.413 0.231 1
1 1453 . 7 1 1 A 123 123 ARG N N 123 107.909 117.525 -9.616 1
1 1454 . 7 1 1 A 123 123 ARG H H 123 7.536 7.845 -0.309 1
1 1455 . 7 1 1 A 123 123 ARG CA C 123 57.775 57.782 -0.007 1
1 1456 . 7 1 1 A 123 123 ARG HA H 123 3.989 4.341 -0.352 1
1 1457 . 7 1 1 A 123 123 ARG CB C 123 28.219 30.944 -2.725 1
1 1466 . 7 1 1 A 123 123 ARG C C 123 176.088 176.395 -0.307 1
1 1467 . 7 1 1 A 124 124 LEU N N 124 118.876 117.348 1.528 1
1 1468 . 7 1 1 A 124 124 LEU H H 124 8.401 7.310 1.091 1
1 1469 . 7 1 1 A 124 124 LEU CA C 124 54.573 53.167 1.406 1
1 1470 . 7 1 1 A 124 124 LEU HA H 124 4.533 4.959 -0.426 1
1 1471 . 7 1 1 A 124 124 LEU CB C 124 39.785 46.908 -7.123 1
1 1484 . 7 1 1 A 124 124 LEU C C 124 175.551 175.690 -0.139 1
1 1485 . 7 1 1 A 125 125 GLN N N 125 116.713 118.896 -2.183 1
1 1486 . 7 1 1 A 125 125 GLN H H 125 7.779 8.677 -0.898 1
1 1487 . 7 1 1 A 125 125 GLN CA C 125 54.609 54.284 0.325 1
1 1488 . 7 1 1 A 125 125 GLN HA H 125 4.794 5.117 -0.323 1
1 1489 . 7 1 1 A 125 125 GLN CB C 125 30.327 31.878 -1.551 1
1 1498 . 7 1 1 A 125 125 GLN C C 125 177.722 176.049 1.673 1
1 1499 . 7 1 1 A 126 126 TRP N N 126 128.887 126.663 2.224 1
1 1500 . 7 1 1 A 126 126 TRP H H 126 9.755 9.153 0.602 1
1 1501 . 7 1 1 A 126 126 TRP CA C 126 59.962 61.352 -1.390 1
1 1502 . 7 1 1 A 126 126 TRP HA H 126 4.545 4.226 0.319 1
1 1503 . 7 1 1 A 126 126 TRP CB C 126 30.009 30.479 -0.470 1
1 1518 . 7 1 1 A 126 126 TRP C C 126 177.057 178.099 -1.042 1
1 1519 . 7 1 1 A 127 127 GLU N N 127 119.568 118.468 1.100 1
1 1520 . 7 1 1 A 127 127 GLU H H 127 9.946 8.444 1.502 1
1 1521 . 7 1 1 A 127 127 GLU CA C 127 60.623 59.863 0.760 1
1 1522 . 7 1 1 A 127 127 GLU HA H 127 3.780 3.819 -0.039 1
1 1523 . 7 1 1 A 127 127 GLU CB C 127 28.594 29.197 -0.603 1
1 1529 . 7 1 1 A 127 127 GLU C C 127 177.905 178.857 -0.952 1
1 1530 . 7 1 1 A 128 128 ASN N N 128 115.229 117.320 -2.091 1
1 1531 . 7 1 1 A 128 128 ASN H H 128 7.159 7.722 -0.563 1
1 1532 . 7 1 1 A 128 128 ASN CA C 128 55.370 55.766 -0.396 1
1 1533 . 7 1 1 A 128 128 ASN HA H 128 4.446 4.389 0.057 1
1 1534 . 7 1 1 A 128 128 ASN CB C 128 38.522 38.413 0.109 1
1 1540 . 7 1 1 A 128 128 ASN C C 128 177.374 177.645 -0.271 1
1 1541 . 7 1 1 A 129 129 VAL N N 129 122.487 119.951 2.536 1
1 1542 . 7 1 1 A 129 129 VAL H H 129 8.033 7.931 0.102 1
1 1543 . 7 1 1 A 129 129 VAL CA C 129 67.289 66.751 0.538 1
1 1544 . 7 1 1 A 129 129 VAL HA H 129 3.489 3.584 -0.095 1
1 1545 . 7 1 1 A 129 129 VAL CB C 129 31.824 31.549 0.275 1
1 1555 . 7 1 1 A 129 129 VAL C C 129 177.209 177.582 -0.373 1
1 1556 . 7 1 1 A 130 130 SER N N 130 115.189 114.096 1.093 1
1 1557 . 7 1 1 A 130 130 SER H H 130 8.550 7.898 0.652 1
1 1558 . 7 1 1 A 130 130 SER CA C 130 61.477 60.795 0.682 1
1 1559 . 7 1 1 A 130 130 SER HA H 130 3.151 3.664 -0.513 1
1 1560 . 7 1 1 A 130 130 SER CB C 130 61.348 61.852 -0.504 1
1 1563 . 7 1 1 A 130 130 SER C C 130 175.971 176.572 -0.601 1
1 1564 . 7 1 1 A 131 131 ALA N N 131 123.596 124.124 -0.528 1
1 1565 . 7 1 1 A 131 131 ALA H H 131 6.551 7.896 -1.345 1
1 1566 . 7 1 1 A 131 131 ALA CA C 131 54.947 55.100 -0.153 1
1 1567 . 7 1 1 A 131 131 ALA HA H 131 4.079 3.924 0.155 1
1 1568 . 7 1 1 A 131 131 ALA CB C 131 18.023 17.973 0.050 1
1 1572 . 7 1 1 A 131 131 ALA C C 131 179.947 180.029 -0.082 1
1 1573 . 7 1 1 A 132 132 MET N N 132 119.410 116.333 3.077 1
1 1574 . 7 1 1 A 132 132 MET H H 132 7.442 8.318 -0.876 1
1 1575 . 7 1 1 A 132 132 MET CA C 132 58.917 58.516 0.401 1
1 1576 . 7 1 1 A 132 132 MET HA H 132 4.118 4.132 -0.014 1
1 1577 . 7 1 1 A 132 132 MET CB C 132 33.984 32.604 1.380 1
1 1587 . 7 1 1 A 132 132 MET C C 132 178.019 178.999 -0.980 1
1 1588 . 7 1 1 A 133 133 ILE N N 133 120.265 119.702 0.563 1
1 1589 . 7 1 1 A 133 133 ILE H H 133 8.554 7.817 0.737 1
1 1590 . 7 1 1 A 133 133 ILE CA C 133 66.859 65.236 1.623 1
1 1591 . 7 1 1 A 133 133 ILE HA H 133 3.470 3.823 -0.353 1
1 1592 . 7 1 1 A 133 133 ILE CB C 133 38.240 36.725 1.515 1
1 1605 . 7 1 1 A 133 133 ILE C C 133 177.949 178.482 -0.533 1
1 1606 . 7 1 1 A 134 134 GLU N N 134 117.011 121.137 -4.126 1
1 1607 . 7 1 1 A 134 134 GLU H H 134 8.106 8.132 -0.026 1
1 1608 . 7 1 1 A 134 134 GLU CA C 134 59.844 59.618 0.226 1
1 1609 . 7 1 1 A 134 134 GLU HA H 134 3.919 4.045 -0.126 1
1 1610 . 7 1 1 A 134 134 GLU CB C 134 29.024 29.287 -0.263 1
1 1616 . 7 1 1 A 134 134 GLU C C 134 178.982 179.307 -0.325 1
1 1617 . 7 1 1 A 135 135 GLU N N 135 118.619 119.163 -0.544 1
1 1618 . 7 1 1 A 135 135 GLU H H 135 7.848 8.174 -0.326 1
1 1619 . 7 1 1 A 135 135 GLU CA C 135 59.438 59.272 0.166 1
1 1620 . 7 1 1 A 135 135 GLU HA H 135 4.090 4.114 -0.024 1
1 1621 . 7 1 1 A 135 135 GLU CB C 135 29.948 28.927 1.021 1
1 1627 . 7 1 1 A 135 135 GLU C C 135 179.547 178.669 0.878 1
1 1628 . 7 1 1 A 136 136 VAL N N 136 119.915 120.898 -0.983 1
1 1629 . 7 1 1 A 136 136 VAL H H 136 8.793 7.721 1.072 1
1 1630 . 7 1 1 A 136 136 VAL CA C 136 66.122 65.856 0.266 1
1 1631 . 7 1 1 A 136 136 VAL HA H 136 3.578 3.777 -0.199 1
1 1632 . 7 1 1 A 136 136 VAL CB C 136 31.990 32.133 -0.143 1
1 1642 . 7 1 1 A 136 136 VAL C C 136 177.646 177.275 0.371 1
1 1643 . 7 1 1 A 137 137 PHE N N 137 111.913 117.098 -5.185 1
1 1644 . 7 1 1 A 137 137 PHE H H 137 8.009 8.093 -0.084 1
1 1645 . 7 1 1 A 137 137 PHE CA C 137 59.545 58.586 0.959 1
1 1646 . 7 1 1 A 137 137 PHE HA H 137 4.197 4.508 -0.311 1
1 1647 . 7 1 1 A 137 137 PHE CB C 137 38.105 38.960 -0.855 1
1 1660 . 7 1 1 A 138 138 GLU N N 138 123.997 119.258 4.739 1
1 1661 . 7 1 1 A 138 138 GLU H H 138 7.268 8.175 -0.907 1
1 1662 . 7 1 1 A 138 138 GLU CA C 138 59.222 58.782 0.440 1
1 1663 . 7 1 1 A 138 138 GLU HA H 138 4.161 4.169 -0.008 1
1 1664 . 7 1 1 A 138 138 GLU CB C 138 29.644 28.885 0.759 1
1 1670 . 7 1 1 A 139 139 ALA N N 139 121.713 121.111 0.602 1
1 1671 . 7 1 1 A 139 139 ALA H H 139 8.830 7.801 1.029 1
1 1672 . 7 1 1 A 139 139 ALA CA C 139 52.894 51.019 1.875 1
1 1673 . 7 1 1 A 139 139 ALA HA H 139 4.334 4.516 -0.182 1
1 1674 . 7 1 1 A 139 139 ALA CB C 139 17.362 18.644 -1.282 1
1 1678 . 7 1 1 A 139 139 ALA C C 139 176.943 175.889 1.054 1
1 1679 . 7 1 1 A 140 140 THR N N 140 107.901 110.547 -2.646 1
1 1680 . 7 1 1 A 140 140 THR H H 140 7.809 8.294 -0.485 1
1 1681 . 7 1 1 A 140 140 THR CA C 140 61.013 60.907 0.106 1
1 1682 . 7 1 1 A 140 140 THR HA H 140 4.164 4.812 -0.648 1
1 1683 . 7 1 1 A 140 140 THR CB C 140 72.698 71.004 1.694 1
1 1689 . 7 1 1 A 140 140 THR C C 140 174.222 173.085 1.137 1
1 1690 . 7 1 1 A 141 141 ASP N N 141 120.212 117.881 2.331 1
1 1691 . 7 1 1 A 141 141 ASP H H 141 8.959 8.631 0.328 1
1 1692 . 7 1 1 A 141 141 ASP CA C 141 53.333 53.543 -0.210 1
1 1693 . 7 1 1 A 141 141 ASP HA H 141 4.991 5.013 -0.022 1
1 1694 . 7 1 1 A 141 141 ASP CB C 141 40.660 41.272 -0.612 1
1 1697 . 7 1 1 A 141 141 ASP C C 141 175.403 174.582 0.821 1
1 1698 . 7 1 1 A 142 142 ILE N N 142 120.815 121.830 -1.015 1
1 1699 . 7 1 1 A 142 142 ILE H H 142 7.444 7.644 -0.200 1
1 1700 . 7 1 1 A 142 142 ILE CA C 142 62.338 60.259 2.079 1
1 1701 . 7 1 1 A 142 142 ILE HA H 142 4.131 4.512 -0.381 1
1 1702 . 7 1 1 A 142 142 ILE CB C 142 38.703 40.699 -1.996 1
1 1715 . 7 1 1 A 142 142 ILE C C 142 175.399 175.651 -0.252 1
1 1716 . 7 1 1 A 143 143 LYS N N 143 129.106 124.561 4.545 1
1 1717 . 7 1 1 A 143 143 LYS H H 143 8.588 9.476 -0.888 1
1 1718 . 7 1 1 A 143 143 LYS CA C 143 55.725 54.761 0.964 1
1 1719 . 7 1 1 A 143 143 LYS HA H 143 4.444 5.090 -0.646 1
1 1720 . 7 1 1 A 143 143 LYS CB C 143 33.768 35.300 -1.532 1
1 1732 . 7 1 1 A 143 143 LYS C C 143 174.820 175.194 -0.374 1
1 1733 . 7 1 1 A 144 144 ILE N N 144 122.496 124.212 -1.716 1
1 1734 . 7 1 1 A 144 144 ILE H H 144 7.884 8.881 -0.997 1
1 1735 . 7 1 1 A 144 144 ILE CA C 144 59.861 59.716 0.145 1
1 1736 . 7 1 1 A 144 144 ILE HA H 144 4.937 5.304 -0.367 1
1 1737 . 7 1 1 A 144 144 ILE CB C 144 40.518 41.043 -0.525 1
1 1750 . 7 1 1 A 144 144 ILE C C 144 175.232 175.063 0.169 1
1 1751 . 7 1 1 A 145 145 THR N N 145 126.667 122.043 4.624 1
1 1752 . 7 1 1 A 145 145 THR H H 145 9.100 8.551 0.549 1
1 1753 . 7 1 1 A 145 145 THR CA C 145 61.374 61.785 -0.411 1
1 1754 . 7 1 1 A 145 145 THR HA H 145 4.992 4.812 0.180 1
1 1755 . 7 1 1 A 145 145 THR CB C 145 68.907 71.994 -3.087 1
1 1761 . 7 1 1 A 145 145 THR C C 145 173.158 173.239 -0.081 1
1 1762 . 7 1 1 A 146 146 VAL N N 146 127.717 127.754 -0.037 1
1 1763 . 7 1 1 A 146 146 VAL H H 146 8.818 8.935 -0.117 1
1 1764 . 7 1 1 A 146 146 VAL CA C 146 59.930 61.268 -1.338 1
1 1765 . 7 1 1 A 146 146 VAL HA H 146 5.053 5.023 0.030 1
1 1766 . 7 1 1 A 146 146 VAL CB C 146 32.906 32.889 0.017 1
1 1776 . 7 1 1 A 146 146 VAL C C 146 175.653 175.039 0.614 1
1 1777 . 7 1 1 A 147 147 TYR N N 147 129.304 127.223 2.081 1
1 1778 . 7 1 1 A 147 147 TYR H H 147 8.926 9.258 -0.332 1
1 1779 . 7 1 1 A 147 147 TYR CA C 147 57.290 56.667 0.623 1
1 1780 . 7 1 1 A 147 147 TYR HA H 147 5.283 5.333 -0.050 1
1 1781 . 7 1 1 A 147 147 TYR CB C 147 40.422 40.989 -0.567 1
1 1792 . 7 1 1 A 147 147 TYR C C 147 177.250 174.918 2.332 1
1 1793 . 7 1 1 A 148 148 THR N N 148 116.883 114.083 2.800 1
1 1794 . 7 1 1 A 148 148 THR H H 148 8.607 9.138 -0.531 1
1 1795 . 7 1 1 A 148 148 THR CA C 148 61.560 60.525 1.035 1
1 1796 . 7 1 1 A 148 148 THR HA H 148 4.431 5.070 -0.639 1
1 1797 . 7 1 1 A 148 148 THR CB C 148 70.966 71.120 -0.154 1
1 1803 . 7 1 1 A 148 148 THR C C 148 172.797 173.747 -0.950 1
1 1 . 8 1 1 A 5 5 SER CA C 5 58.376 57.272 1.104 1
1 2 . 8 1 1 A 5 5 SER HA H 5 4.528 4.733 -0.205 1
1 3 . 8 1 1 A 5 5 SER CB C 5 63.813 63.546 0.267 1
1 5 . 8 1 1 A 5 5 SER C C 5 174.968 173.226 1.742 1
1 6 . 8 1 1 A 6 6 SER N N 6 117.996 124.951 -6.955 1
1 7 . 8 1 1 A 6 6 SER H H 6 8.503 8.782 -0.279 1
1 8 . 8 1 1 A 6 6 SER CA C 6 58.642 57.311 1.331 1
1 9 . 8 1 1 A 6 6 SER HA H 6 4.526 4.851 -0.325 1
1 10 . 8 1 1 A 6 6 SER CB C 6 63.855 63.597 0.258 1
1 13 . 8 1 1 A 6 6 SER C C 6 175.129 174.624 0.505 1
1 14 . 8 1 1 A 7 7 GLY N N 7 110.904 115.684 -4.780 1
1 15 . 8 1 1 A 7 7 GLY H H 7 8.470 8.665 -0.195 1
1 16 . 8 1 1 A 7 7 GLY CA C 7 45.430 44.840 0.590 1
1 17 . 8 1 1 A 7 7 GLY HA2 H 7 4.030 3.981 0.049 1
1 18 . 8 1 1 A 7 7 GLY HA3 H 7 4.030 3.982 0.048 1
1 19 . 8 1 1 A 7 7 GLY C C 7 174.606 174.187 0.419 1
1 20 . 8 1 1 A 8 8 GLY N N 8 108.942 109.894 -0.952 1
1 21 . 8 1 1 A 8 8 GLY H H 8 8.286 8.622 -0.336 1
1 22 . 8 1 1 A 8 8 GLY CA C 8 45.058 45.956 -0.898 1
1 23 . 8 1 1 A 8 8 GLY HA2 H 8 4.027 3.878 0.149 1
1 24 . 8 1 1 A 8 8 GLY HA3 H 8 4.199 3.880 0.319 1
1 25 . 8 1 1 A 8 8 GLY C C 8 173.943 173.858 0.085 1
1 26 . 8 1 1 A 9 9 SER N N 9 115.435 119.033 -3.598 1
1 27 . 8 1 1 A 9 9 SER H H 9 8.275 8.637 -0.362 1
1 28 . 8 1 1 A 9 9 SER CA C 9 57.847 58.384 -0.537 1
1 29 . 8 1 1 A 9 9 SER HA H 9 4.616 4.457 0.159 1
1 30 . 8 1 1 A 9 9 SER CB C 9 64.102 63.940 0.162 1
1 33 . 8 1 1 A 9 9 SER C C 9 174.962 174.532 0.430 1
1 34 . 8 1 1 A 10 10 ARG N N 10 126.156 123.523 2.633 1
1 35 . 8 1 1 A 10 10 ARG H H 10 9.427 8.677 0.750 1
1 36 . 8 1 1 A 10 10 ARG CA C 10 56.662 57.682 -1.020 1
1 37 . 8 1 1 A 10 10 ARG HA H 10 4.332 4.388 -0.056 1
1 38 . 8 1 1 A 10 10 ARG CB C 10 30.289 30.941 -0.652 1
1 49 . 8 1 1 A 10 10 ARG C C 10 175.504 176.729 -1.225 1
1 50 . 8 1 1 A 11 11 ILE N N 11 119.127 120.209 -1.082 1
1 51 . 8 1 1 A 11 11 ILE H H 11 8.176 7.682 0.494 1
1 52 . 8 1 1 A 11 11 ILE CA C 11 61.153 60.947 0.206 1
1 53 . 8 1 1 A 11 11 ILE HA H 11 4.553 3.973 0.580 1
1 54 . 8 1 1 A 11 11 ILE CB C 11 39.949 37.564 2.385 1
1 67 . 8 1 1 A 11 11 ILE C C 11 176.134 174.874 1.260 1
1 68 . 8 1 1 A 12 12 THR N N 12 124.682 122.659 2.023 1
1 69 . 8 1 1 A 12 12 THR H H 12 8.534 8.396 0.138 1
1 70 . 8 1 1 A 12 12 THR CA C 12 61.630 61.584 0.046 1
1 71 . 8 1 1 A 12 12 THR HA H 12 4.359 4.702 -0.343 1
1 72 . 8 1 1 A 12 12 THR CB C 12 70.705 70.483 0.222 1
1 78 . 8 1 1 A 12 12 THR C C 12 171.804 173.347 -1.543 1
1 79 . 8 1 1 A 13 13 TYR N N 13 124.043 126.207 -2.164 1
1 80 . 8 1 1 A 13 13 TYR H H 13 8.691 8.867 -0.176 1
1 81 . 8 1 1 A 13 13 TYR CA C 13 57.846 57.252 0.594 1
1 82 . 8 1 1 A 13 13 TYR HA H 13 5.099 5.382 -0.283 1
1 83 . 8 1 1 A 13 13 TYR CB C 13 39.895 40.119 -0.224 1
1 94 . 8 1 1 A 13 13 TYR C C 13 175.924 175.323 0.601 1
1 95 . 8 1 1 A 14 14 VAL N N 14 124.012 122.654 1.358 1
1 96 . 8 1 1 A 14 14 VAL H H 14 8.633 9.277 -0.644 1
1 97 . 8 1 1 A 14 14 VAL CA C 14 60.958 59.939 1.019 1
1 98 . 8 1 1 A 14 14 VAL HA H 14 4.015 4.842 -0.827 1
1 99 . 8 1 1 A 14 14 VAL CB C 14 35.416 34.957 0.459 1
1 109 . 8 1 1 A 14 14 VAL C C 14 173.974 173.982 -0.008 1
1 110 . 8 1 1 A 15 15 LYS N N 15 127.960 125.693 2.267 1
1 111 . 8 1 1 A 15 15 LYS H H 15 8.318 8.756 -0.438 1
1 112 . 8 1 1 A 15 15 LYS CA C 15 54.152 54.767 -0.615 1
1 113 . 8 1 1 A 15 15 LYS HA H 15 5.126 5.364 -0.238 1
1 114 . 8 1 1 A 15 15 LYS CB C 15 32.086 34.461 -2.375 1
1 126 . 8 1 1 A 15 15 LYS C C 15 176.050 175.348 0.702 1
1 127 . 8 1 1 A 16 16 GLY N N 16 114.545 112.772 1.773 1
1 128 . 8 1 1 A 16 16 GLY H H 16 8.508 8.118 0.390 1
1 129 . 8 1 1 A 16 16 GLY CA C 16 45.006 44.169 0.837 1
1 130 . 8 1 1 A 16 16 GLY HA2 H 16 4.028 4.102 -0.074 1
1 131 . 8 1 1 A 16 16 GLY HA3 H 16 4.197 4.128 0.069 1
1 132 . 8 1 1 A 16 16 GLY C C 16 170.957 172.517 -1.560 1
1 133 . 8 1 1 A 17 17 ASP N N 17 119.423 121.707 -2.284 1
1 134 . 8 1 1 A 17 17 ASP H H 17 8.271 8.652 -0.381 1
1 135 . 8 1 1 A 17 17 ASP CA C 17 53.164 55.177 -2.013 1
1 136 . 8 1 1 A 17 17 ASP HA H 17 4.407 4.374 0.033 1
1 137 . 8 1 1 A 17 17 ASP CB C 17 41.912 41.750 0.162 1
1 140 . 8 1 1 A 17 17 ASP C C 17 176.089 176.007 0.082 1
1 141 . 8 1 1 A 18 18 LEU N N 18 130.056 124.946 5.110 1
1 142 . 8 1 1 A 18 18 LEU H H 18 8.304 8.633 -0.329 1
1 143 . 8 1 1 A 18 18 LEU CA C 18 57.156 55.857 1.299 1
1 144 . 8 1 1 A 18 18 LEU HA H 18 2.425 3.846 -1.421 1
1 145 . 8 1 1 A 18 18 LEU CB C 18 42.959 43.715 -0.756 1
1 158 . 8 1 1 A 18 18 LEU C C 18 175.737 177.672 -1.935 1
1 159 . 8 1 1 A 19 19 PHE N N 19 109.678 117.457 -7.779 1
1 160 . 8 1 1 A 19 19 PHE H H 19 7.461 7.405 0.056 1
1 161 . 8 1 1 A 19 19 PHE CA C 19 59.844 60.266 -0.422 1
1 162 . 8 1 1 A 19 19 PHE HA H 19 3.920 4.286 -0.366 1
1 163 . 8 1 1 A 19 19 PHE CB C 19 36.735 39.737 -3.002 1
1 176 . 8 1 1 A 19 19 PHE C C 19 175.833 178.120 -2.287 1
1 177 . 8 1 1 A 20 20 ALA N N 20 123.506 122.358 1.148 1
1 178 . 8 1 1 A 20 20 ALA H H 20 7.752 8.221 -0.469 1
1 179 . 8 1 1 A 20 20 ALA CA C 20 51.160 54.981 -3.821 1
1 180 . 8 1 1 A 20 20 ALA HA H 20 4.518 4.117 0.401 1
1 181 . 8 1 1 A 20 20 ALA CB C 20 18.395 18.210 0.185 1
1 185 . 8 1 1 A 20 20 ALA C C 20 176.772 179.785 -3.013 1
1 186 . 8 1 1 A 21 21 CYS N N 21 118.823 117.428 1.395 1
1 187 . 8 1 1 A 21 21 CYS H H 21 7.225 8.112 -0.887 1
1 188 . 8 1 1 A 21 21 CYS CA C 21 56.813 63.600 -6.787 1
1 189 . 8 1 1 A 21 21 CYS HA H 21 4.580 4.151 0.429 1
1 190 . 8 1 1 A 21 21 CYS CB C 21 25.916 26.543 -0.627 1
1 193 . 8 1 1 A 21 21 CYS C C 21 170.919 175.202 -4.283 1
1 194 . 8 1 1 A 22 22 PRO CA C 22 64.000 62.528 1.472 1
1 195 . 8 1 1 A 22 22 PRO HA H 22 4.373 4.446 -0.073 1
1 196 . 8 1 1 A 22 22 PRO CB C 22 31.802 33.394 -1.592 1
1 205 . 8 1 1 A 22 22 PRO C C 22 178.609 176.167 2.442 1
1 206 . 8 1 1 A 23 23 LYS N N 23 122.870 120.729 2.141 1
1 207 . 8 1 1 A 23 23 LYS H H 23 8.785 8.854 -0.069 1
1 208 . 8 1 1 A 23 23 LYS CA C 23 58.671 57.244 1.427 1
1 209 . 8 1 1 A 23 23 LYS HA H 23 4.103 4.469 -0.366 1
1 210 . 8 1 1 A 23 23 LYS CB C 23 32.078 35.644 -3.566 1
1 222 . 8 1 1 A 23 23 LYS C C 23 175.722 177.614 -1.892 1
1 223 . 8 1 1 A 24 24 THR N N 24 102.744 112.237 -9.493 1
1 224 . 8 1 1 A 24 24 THR H H 24 7.097 8.116 -1.019 1
1 225 . 8 1 1 A 24 24 THR CA C 24 61.064 61.743 -0.679 1
1 226 . 8 1 1 A 24 24 THR HA H 24 4.166 4.566 -0.400 1
1 227 . 8 1 1 A 24 24 THR CB C 24 68.805 71.049 -2.244 1
1 233 . 8 1 1 A 24 24 THR C C 24 176.216 174.225 1.991 1
1 234 . 8 1 1 A 25 25 ASP N N 25 125.303 122.942 2.361 1
1 235 . 8 1 1 A 25 25 ASP H H 25 7.768 7.756 0.012 1
1 236 . 8 1 1 A 25 25 ASP CA C 25 55.246 54.893 0.353 1
1 237 . 8 1 1 A 25 25 ASP HA H 25 4.536 4.522 0.014 1
1 238 . 8 1 1 A 25 25 ASP CB C 25 40.321 40.997 -0.676 1
1 241 . 8 1 1 A 25 25 ASP C C 25 177.718 175.761 1.957 1
1 242 . 8 1 1 A 26 26 SER N N 26 118.303 118.225 0.078 1
1 243 . 8 1 1 A 26 26 SER H H 26 8.472 8.151 0.321 1
1 244 . 8 1 1 A 26 26 SER CA C 26 61.547 58.396 3.151 1
1 245 . 8 1 1 A 26 26 SER HA H 26 5.138 4.634 0.504 1
1 246 . 8 1 1 A 26 26 SER CB C 26 65.326 64.489 0.837 1
1 249 . 8 1 1 A 26 26 SER C C 26 172.446 173.635 -1.189 1
1 250 . 8 1 1 A 27 27 LEU N N 27 121.957 122.276 -0.319 1
1 251 . 8 1 1 A 27 27 LEU H H 27 8.553 8.221 0.332 1
1 252 . 8 1 1 A 27 27 LEU CA C 27 53.919 53.923 -0.004 1
1 253 . 8 1 1 A 27 27 LEU HA H 27 6.004 5.751 0.253 1
1 254 . 8 1 1 A 27 27 LEU CB C 27 48.728 44.513 4.215 1
1 267 . 8 1 1 A 27 27 LEU C C 27 176.071 176.105 -0.034 1
1 268 . 8 1 1 A 28 28 ALA N N 28 119.120 125.209 -6.089 1
1 269 . 8 1 1 A 28 28 ALA H H 28 8.083 8.973 -0.890 1
1 270 . 8 1 1 A 28 28 ALA CA C 28 50.738 50.852 -0.114 1
1 271 . 8 1 1 A 28 28 ALA HA H 28 5.833 5.177 0.656 1
1 272 . 8 1 1 A 28 28 ALA CB C 28 24.493 21.674 2.819 1
1 276 . 8 1 1 A 28 28 ALA C C 28 174.396 175.790 -1.394 1
1 277 . 8 1 1 A 29 29 HIS N N 29 111.296 122.855 -11.559 1
1 278 . 8 1 1 A 29 29 HIS H H 29 8.042 8.330 -0.288 1
1 279 . 8 1 1 A 29 29 HIS CA C 29 55.617 55.262 0.355 1
1 280 . 8 1 1 A 29 29 HIS HA H 29 4.552 5.217 -0.665 1
1 281 . 8 1 1 A 29 29 HIS CB C 29 31.644 33.379 -1.735 1
1 288 . 8 1 1 A 29 29 HIS C C 29 172.453 173.233 -0.780 1
1 289 . 8 1 1 A 30 30 CYS N N 30 115.842 122.105 -6.263 1
1 290 . 8 1 1 A 30 30 CYS H H 30 8.182 8.080 0.102 1
1 291 . 8 1 1 A 30 30 CYS CA C 30 57.610 56.761 0.849 1
1 292 . 8 1 1 A 30 30 CYS HA H 30 5.489 5.387 0.102 1
1 293 . 8 1 1 A 30 30 CYS CB C 30 30.518 29.192 1.326 1
1 296 . 8 1 1 A 30 30 CYS C C 30 175.085 173.598 1.487 1
1 297 . 8 1 1 A 31 31 ILE N N 31 117.447 121.049 -3.602 1
1 298 . 8 1 1 A 31 31 ILE H H 31 9.209 8.583 0.626 1
1 299 . 8 1 1 A 31 31 ILE CA C 31 60.057 58.650 1.407 1
1 300 . 8 1 1 A 31 31 ILE HA H 31 4.816 5.012 -0.196 1
1 301 . 8 1 1 A 31 31 ILE CB C 31 43.206 42.349 0.857 1
1 314 . 8 1 1 A 31 31 ILE C C 31 173.249 175.054 -1.805 1
1 315 . 8 1 1 A 32 32 SER N N 32 111.596 116.720 -5.124 1
1 316 . 8 1 1 A 32 32 SER H H 32 7.858 8.461 -0.603 1
1 317 . 8 1 1 A 32 32 SER CA C 32 55.599 56.602 -1.003 1
1 318 . 8 1 1 A 32 32 SER HA H 32 5.139 5.224 -0.085 1
1 319 . 8 1 1 A 32 32 SER CB C 32 66.377 66.187 0.190 1
1 322 . 8 1 1 A 32 32 SER C C 32 176.120 175.981 0.139 1
1 323 . 8 1 1 A 33 33 GLU N N 33 118.525 120.736 -2.211 1
1 324 . 8 1 1 A 33 33 GLU H H 33 8.189 8.741 -0.552 1
1 325 . 8 1 1 A 33 33 GLU CA C 33 59.273 59.705 -0.432 1
1 326 . 8 1 1 A 33 33 GLU HA H 33 3.759 4.063 -0.304 1
1 327 . 8 1 1 A 33 33 GLU CB C 33 30.553 29.435 1.118 1
1 333 . 8 1 1 A 33 33 GLU C C 33 177.446 177.723 -0.277 1
1 334 . 8 1 1 A 34 34 ASP N N 34 113.498 116.855 -3.357 1
1 335 . 8 1 1 A 34 34 ASP H H 34 7.480 7.495 -0.015 1
1 336 . 8 1 1 A 34 34 ASP CA C 34 54.511 53.964 0.547 1
1 337 . 8 1 1 A 34 34 ASP HA H 34 4.342 4.749 -0.407 1
1 338 . 8 1 1 A 34 34 ASP CB C 34 40.374 40.700 -0.326 1
1 341 . 8 1 1 A 34 34 ASP C C 34 175.854 174.891 0.963 1
1 342 . 8 1 1 A 35 35 CYS N N 35 111.837 115.886 -4.049 1
1 343 . 8 1 1 A 35 35 CYS H H 35 8.327 7.962 0.365 1
1 344 . 8 1 1 A 35 35 CYS CA C 35 61.093 60.395 0.698 1
1 345 . 8 1 1 A 35 35 CYS HA H 35 3.772 4.133 -0.361 1
1 346 . 8 1 1 A 35 35 CYS CB C 35 25.679 25.923 -0.244 1
1 349 . 8 1 1 A 35 35 CYS C C 35 173.370 173.901 -0.531 1
1 350 . 8 1 1 A 36 36 ARG N N 36 117.440 120.361 -2.921 1
1 351 . 8 1 1 A 36 36 ARG H H 36 7.473 8.375 -0.902 1
1 352 . 8 1 1 A 36 36 ARG CA C 36 57.988 55.127 2.861 1
1 353 . 8 1 1 A 36 36 ARG HA H 36 3.981 4.439 -0.458 1
1 354 . 8 1 1 A 36 36 ARG CB C 36 30.430 28.680 1.750 1
1 363 . 8 1 1 A 36 36 ARG C C 36 177.233 174.743 2.490 1
1 364 . 8 1 1 A 37 37 MET CA C 37 56.118 54.417 1.701 1
1 365 . 8 1 1 A 37 37 MET HA H 37 4.036 5.352 -1.316 1
1 373 . 8 1 1 A 38 38 GLY H H 38 8.192 8.428 -0.236 1
1 374 . 8 1 1 A 38 38 GLY CA C 38 45.670 45.256 0.414 1
1 375 . 8 1 1 A 38 38 GLY HA2 H 38 4.220 4.191 0.029 1
1 376 . 8 1 1 A 38 38 GLY HA3 H 38 3.595 4.200 -0.605 1
1 377 . 8 1 1 A 38 38 GLY C C 38 173.799 173.480 0.319 1
1 378 . 8 1 1 A 39 39 ALA N N 39 122.002 120.550 1.452 1
1 379 . 8 1 1 A 39 39 ALA H H 39 7.697 7.821 -0.124 1
1 380 . 8 1 1 A 39 39 ALA CA C 39 51.019 51.714 -0.695 1
1 381 . 8 1 1 A 39 39 ALA HA H 39 4.678 4.708 -0.030 1
1 382 . 8 1 1 A 39 39 ALA CB C 39 22.608 22.276 0.332 1
1 386 . 8 1 1 A 39 39 ALA C C 39 176.769 176.812 -0.043 1
1 387 . 8 1 1 A 40 40 GLY N N 40 107.149 112.751 -5.602 1
1 388 . 8 1 1 A 40 40 GLY H H 40 8.731 8.972 -0.241 1
1 389 . 8 1 1 A 40 40 GLY CA C 40 45.768 45.597 0.171 1
1 390 . 8 1 1 A 40 40 GLY HA2 H 40 3.957 4.002 -0.045 1
1 391 . 8 1 1 A 40 40 GLY HA3 H 40 4.220 4.007 0.213 1
1 392 . 8 1 1 A 40 40 GLY C C 40 176.747 175.131 1.616 1
1 393 . 8 1 1 A 41 41 ILE CA C 41 63.397 63.127 0.270 1
1 394 . 8 1 1 A 41 41 ILE HA H 41 4.312 4.089 0.223 1
1 395 . 8 1 1 A 41 41 ILE CB C 41 38.794 38.362 0.432 1
1 408 . 8 1 1 A 41 41 ILE C C 41 177.249 177.522 -0.273 1
1 409 . 8 1 1 A 42 42 ALA N N 42 124.835 124.400 0.435 1
1 410 . 8 1 1 A 42 42 ALA H H 42 8.629 8.169 0.460 1
1 411 . 8 1 1 A 42 42 ALA CA C 42 55.599 55.097 0.502 1
1 412 . 8 1 1 A 42 42 ALA HA H 42 4.377 4.015 0.362 1
1 413 . 8 1 1 A 42 42 ALA CB C 42 18.155 18.304 -0.149 1
1 417 . 8 1 1 A 42 42 ALA C C 42 179.079 180.604 -1.525 1
1 418 . 8 1 1 A 43 43 VAL N N 43 116.015 119.297 -3.282 1
1 419 . 8 1 1 A 43 43 VAL H H 43 7.363 7.988 -0.625 1
1 420 . 8 1 1 A 43 43 VAL CA C 43 65.623 67.065 -1.442 1
1 421 . 8 1 1 A 43 43 VAL HA H 43 3.822 3.606 0.216 1
1 422 . 8 1 1 A 43 43 VAL CB C 43 32.408 31.672 0.736 1
1 432 . 8 1 1 A 43 43 VAL C C 43 178.285 178.197 0.088 1
1 433 . 8 1 1 A 44 44 LEU N N 44 119.736 118.633 1.103 1
1 434 . 8 1 1 A 44 44 LEU H H 44 7.357 8.219 -0.862 1
1 435 . 8 1 1 A 44 44 LEU CA C 44 57.460 57.928 -0.468 1
1 436 . 8 1 1 A 44 44 LEU HA H 44 3.968 3.882 0.086 1
1 437 . 8 1 1 A 44 44 LEU CB C 44 41.234 41.819 -0.585 1
1 450 . 8 1 1 A 44 44 LEU C C 44 179.972 179.568 0.404 1
1 451 . 8 1 1 A 45 45 PHE N N 45 118.434 118.433 0.001 1
1 452 . 8 1 1 A 45 45 PHE H H 45 7.733 7.700 0.033 1
1 453 . 8 1 1 A 45 45 PHE CA C 45 63.151 60.642 2.509 1
1 454 . 8 1 1 A 45 45 PHE HA H 45 4.009 4.336 -0.327 1
1 455 . 8 1 1 A 45 45 PHE CB C 45 39.883 38.758 1.125 1
1 468 . 8 1 1 A 45 45 PHE C C 45 180.448 178.542 1.906 1
1 469 . 8 1 1 A 46 46 LYS N N 46 124.749 119.550 5.199 1
1 470 . 8 1 1 A 46 46 LYS H H 46 8.819 8.545 0.274 1
1 471 . 8 1 1 A 46 46 LYS CA C 46 60.958 59.040 1.918 1
1 472 . 8 1 1 A 46 46 LYS HA H 46 4.160 4.270 -0.110 1
1 473 . 8 1 1 A 46 46 LYS CB C 46 31.930 32.124 -0.194 1
1 485 . 8 1 1 A 46 46 LYS C C 46 179.139 178.970 0.169 1
1 486 . 8 1 1 A 47 47 LYS N N 47 119.317 119.092 0.225 1
1 487 . 8 1 1 A 47 47 LYS H H 47 8.154 7.899 0.255 1
1 488 . 8 1 1 A 47 47 LYS CA C 47 59.331 59.098 0.233 1
1 489 . 8 1 1 A 47 47 LYS HA H 47 3.939 4.075 -0.136 1
1 490 . 8 1 1 A 47 47 LYS CB C 47 33.065 32.805 0.260 1
1 502 . 8 1 1 A 47 47 LYS C C 47 178.108 179.189 -1.081 1
1 503 . 8 1 1 A 48 48 LYS N N 48 116.005 118.692 -2.687 1
1 504 . 8 1 1 A 48 48 LYS H H 48 7.976 8.061 -0.085 1
1 505 . 8 1 1 A 48 48 LYS CA C 48 58.650 58.641 0.009 1
1 506 . 8 1 1 A 48 48 LYS HA H 48 3.684 3.728 -0.044 1
1 507 . 8 1 1 A 48 48 LYS CB C 48 32.372 32.115 0.257 1
1 519 . 8 1 1 A 48 48 LYS C C 48 178.213 176.695 1.518 1
1 520 . 8 1 1 A 49 49 PHE N N 49 112.629 114.233 -1.604 1
1 521 . 8 1 1 A 49 49 PHE H H 49 7.658 8.151 -0.493 1
1 522 . 8 1 1 A 49 49 PHE CA C 49 56.958 55.929 1.029 1
1 523 . 8 1 1 A 49 49 PHE HA H 49 5.028 4.789 0.239 1
1 524 . 8 1 1 A 49 49 PHE CB C 49 40.496 38.092 2.404 1
1 537 . 8 1 1 A 49 49 PHE C C 49 176.188 175.578 0.610 1
1 538 . 8 1 1 A 50 50 GLY N N 50 108.499 108.752 -0.253 1
1 539 . 8 1 1 A 50 50 GLY H H 50 7.821 8.481 -0.660 1
1 540 . 8 1 1 A 50 50 GLY CA C 50 46.579 47.033 -0.454 1
1 541 . 8 1 1 A 50 50 GLY HA2 H 50 3.953 3.901 0.052 1
1 542 . 8 1 1 A 50 50 GLY HA3 H 50 3.953 3.955 -0.002 1
1 543 . 8 1 1 A 50 50 GLY C C 50 174.288 174.163 0.125 1
1 544 . 8 1 1 A 51 51 GLY N N 51 108.968 112.823 -3.855 1
1 545 . 8 1 1 A 51 51 GLY H H 51 8.600 8.677 -0.077 1
1 546 . 8 1 1 A 51 51 GLY CA C 51 46.597 45.937 0.660 1
1 547 . 8 1 1 A 51 51 GLY HA2 H 51 3.943 4.236 -0.293 1
1 548 . 8 1 1 A 51 51 GLY HA3 H 51 4.047 4.256 -0.209 1
1 549 . 8 1 1 A 51 51 GLY C C 51 174.522 175.266 -0.744 1
1 550 . 8 1 1 A 52 52 VAL N N 52 118.929 119.133 -0.204 1
1 551 . 8 1 1 A 52 52 VAL H H 52 7.980 8.050 -0.070 1
1 552 . 8 1 1 A 52 52 VAL CA C 52 68.080 65.299 2.781 1
1 553 . 8 1 1 A 52 52 VAL HA H 52 3.334 3.690 -0.356 1
1 554 . 8 1 1 A 52 52 VAL CB C 52 31.150 31.735 -0.585 1
1 564 . 8 1 1 A 52 52 VAL C C 52 177.566 177.502 0.064 1
1 565 . 8 1 1 A 53 53 GLN N N 53 116.880 121.545 -4.665 1
1 566 . 8 1 1 A 53 53 GLN H H 53 8.513 8.053 0.460 1
1 567 . 8 1 1 A 53 53 GLN CA C 53 58.730 58.853 -0.123 1
1 568 . 8 1 1 A 53 53 GLN HA H 53 3.946 3.965 -0.019 1
1 569 . 8 1 1 A 53 53 GLN CB C 53 28.098 28.603 -0.505 1
1 578 . 8 1 1 A 53 53 GLN C C 53 177.916 178.089 -0.173 1
1 579 . 8 1 1 A 54 54 GLU N N 54 119.584 119.510 0.074 1
1 580 . 8 1 1 A 54 54 GLU H H 54 7.525 8.098 -0.573 1
1 581 . 8 1 1 A 54 54 GLU CA C 54 59.754 59.155 0.599 1
1 582 . 8 1 1 A 54 54 GLU HA H 54 3.980 4.063 -0.083 1
1 583 . 8 1 1 A 54 54 GLU CB C 54 29.509 29.432 0.077 1
1 589 . 8 1 1 A 54 54 GLU C C 54 180.168 179.489 0.679 1
1 590 . 8 1 1 A 55 55 LEU N N 55 121.130 120.677 0.453 1
1 591 . 8 1 1 A 55 55 LEU H H 55 8.437 7.651 0.786 1
1 592 . 8 1 1 A 55 55 LEU CA C 55 58.005 57.838 0.167 1
1 593 . 8 1 1 A 55 55 LEU HA H 55 3.870 3.988 -0.118 1
1 594 . 8 1 1 A 55 55 LEU CB C 55 42.588 41.491 1.097 1
1 607 . 8 1 1 A 55 55 LEU C C 55 180.835 179.252 1.583 1
1 608 . 8 1 1 A 56 56 LEU N N 56 123.508 118.295 5.213 1
1 609 . 8 1 1 A 56 56 LEU H H 56 8.664 8.278 0.386 1
1 610 . 8 1 1 A 56 56 LEU CA C 56 58.397 57.836 0.561 1
1 611 . 8 1 1 A 56 56 LEU HA H 56 3.972 3.919 0.053 1
1 612 . 8 1 1 A 56 56 LEU CB C 56 42.087 41.422 0.665 1
1 625 . 8 1 1 A 56 56 LEU C C 56 181.257 179.409 1.848 1
1 626 . 8 1 1 A 57 57 ASN N N 57 116.946 118.414 -1.468 1
1 627 . 8 1 1 A 57 57 ASN H H 57 8.334 8.042 0.292 1
1 628 . 8 1 1 A 57 57 ASN CA C 57 54.627 56.505 -1.878 1
1 629 . 8 1 1 A 57 57 ASN HA H 57 4.566 4.408 0.158 1
1 630 . 8 1 1 A 57 57 ASN CB C 57 38.170 37.980 0.190 1
1 636 . 8 1 1 A 57 57 ASN C C 57 176.756 178.379 -1.623 1
1 637 . 8 1 1 A 58 58 GLN N N 58 118.214 116.967 1.247 1
1 638 . 8 1 1 A 58 58 GLN H H 58 7.670 7.893 -0.223 1
1 639 . 8 1 1 A 58 58 GLN CA C 58 58.022 57.230 0.792 1
1 640 . 8 1 1 A 58 58 GLN HA H 58 4.184 4.210 -0.026 1
1 641 . 8 1 1 A 58 58 GLN CB C 58 28.460 28.810 -0.350 1
1 650 . 8 1 1 A 58 58 GLN C C 58 175.792 175.608 0.184 1
1 651 . 8 1 1 A 59 59 GLN N N 59 114.113 116.053 -1.940 1
1 652 . 8 1 1 A 59 59 GLN H H 59 7.825 8.095 -0.270 1
1 653 . 8 1 1 A 59 59 GLN CA C 59 56.584 56.850 -0.266 1
1 654 . 8 1 1 A 59 59 GLN HA H 59 4.015 3.813 0.202 1
1 655 . 8 1 1 A 59 59 GLN CB C 59 26.829 26.155 0.674 1
1 664 . 8 1 1 A 59 59 GLN C C 59 175.049 175.095 -0.046 1
1 665 . 8 1 1 A 60 60 LYS N N 60 118.472 118.662 -0.190 1
1 666 . 8 1 1 A 60 60 LYS H H 60 9.134 8.156 0.978 1
1 667 . 8 1 1 A 60 60 LYS CA C 60 54.005 56.116 -2.111 1
1 668 . 8 1 1 A 60 60 LYS HA H 60 4.458 4.458 0.000 1
1 669 . 8 1 1 A 60 60 LYS CB C 60 32.573 33.913 -1.340 1
1 681 . 8 1 1 A 60 60 LYS C C 60 176.936 175.363 1.573 1
1 682 . 8 1 1 A 61 61 LYS N N 61 121.877 119.600 2.277 1
1 683 . 8 1 1 A 61 61 LYS H H 61 9.069 8.601 0.468 1
1 684 . 8 1 1 A 61 61 LYS CA C 61 53.421 54.408 -0.987 1
1 685 . 8 1 1 A 61 61 LYS HA H 61 4.517 5.142 -0.625 1
1 686 . 8 1 1 A 61 61 LYS CB C 61 35.816 36.761 -0.945 1
1 698 . 8 1 1 A 61 61 LYS C C 61 175.049 175.972 -0.923 1
1 699 . 8 1 1 A 62 62 SER N N 62 114.153 115.900 -1.747 1
1 700 . 8 1 1 A 62 62 SER H H 62 8.524 8.641 -0.117 1
1 701 . 8 1 1 A 62 62 SER CA C 62 60.959 59.723 1.236 1
1 702 . 8 1 1 A 62 62 SER HA H 62 3.954 4.494 -0.540 1
1 703 . 8 1 1 A 62 62 SER CB C 62 64.374 62.638 1.736 1
1 706 . 8 1 1 A 62 62 SER C C 62 175.660 174.861 0.799 1
1 707 . 8 1 1 A 63 63 GLY N N 63 111.615 113.520 -1.905 1
1 708 . 8 1 1 A 63 63 GLY H H 63 9.308 8.472 0.836 1
1 709 . 8 1 1 A 63 63 GLY CA C 63 44.971 45.150 -0.179 1
1 710 . 8 1 1 A 63 63 GLY HA2 H 63 4.188 4.005 0.183 1
1 711 . 8 1 1 A 63 63 GLY HA3 H 63 4.188 4.009 0.179 1
1 712 . 8 1 1 A 63 63 GLY C C 63 172.420 173.496 -1.076 1
1 713 . 8 1 1 A 64 64 GLU N N 64 117.287 121.102 -3.815 1
1 714 . 8 1 1 A 64 64 GLU H H 64 7.909 8.117 -0.208 1
1 715 . 8 1 1 A 64 64 GLU CA C 64 53.972 54.938 -0.966 1
1 716 . 8 1 1 A 64 64 GLU HA H 64 4.549 4.771 -0.222 1
1 717 . 8 1 1 A 64 64 GLU CB C 64 32.449 32.427 0.022 1
1 723 . 8 1 1 A 64 64 GLU C C 64 174.611 174.923 -0.312 1
1 724 . 8 1 1 A 65 65 VAL N N 65 118.093 121.865 -3.772 1
1 725 . 8 1 1 A 65 65 VAL H H 65 8.337 8.843 -0.506 1
1 726 . 8 1 1 A 65 65 VAL CA C 65 59.380 59.554 -0.174 1
1 727 . 8 1 1 A 65 65 VAL HA H 65 5.149 5.065 0.084 1
1 728 . 8 1 1 A 65 65 VAL CB C 65 35.892 35.092 0.800 1
1 738 . 8 1 1 A 65 65 VAL C C 65 172.013 173.318 -1.305 1
1 739 . 8 1 1 A 66 66 ALA N N 66 130.790 130.419 0.371 1
1 740 . 8 1 1 A 66 66 ALA H H 66 8.876 8.536 0.340 1
1 741 . 8 1 1 A 66 66 ALA CA C 66 50.170 50.224 -0.054 1
1 742 . 8 1 1 A 66 66 ALA HA H 66 4.879 5.498 -0.619 1
1 743 . 8 1 1 A 66 66 ALA CB C 66 21.291 20.525 0.766 1
1 747 . 8 1 1 A 66 66 ALA C C 66 175.997 175.968 0.029 1
1 748 . 8 1 1 A 67 67 VAL N N 67 119.453 123.596 -4.143 1
1 749 . 8 1 1 A 67 67 VAL H H 67 8.615 8.921 -0.306 1
1 750 . 8 1 1 A 67 67 VAL CA C 67 61.078 61.210 -0.132 1
1 751 . 8 1 1 A 67 67 VAL HA H 67 5.255 4.872 0.383 1
1 752 . 8 1 1 A 67 67 VAL CB C 67 36.283 33.199 3.084 1
1 762 . 8 1 1 A 67 67 VAL C C 67 176.213 173.561 2.652 1
1 763 . 8 1 1 A 68 68 LEU N N 68 126.404 129.732 -3.328 1
1 764 . 8 1 1 A 68 68 LEU H H 68 9.013 8.952 0.061 1
1 765 . 8 1 1 A 68 68 LEU CA C 68 53.424 53.325 0.099 1
1 766 . 8 1 1 A 68 68 LEU HA H 68 4.809 5.273 -0.464 1
1 767 . 8 1 1 A 68 68 LEU CB C 68 46.473 45.599 0.874 1
1 780 . 8 1 1 A 68 68 LEU C C 68 174.704 175.138 -0.434 1
1 781 . 8 1 1 A 69 69 LYS N N 69 123.462 128.184 -4.722 1
1 782 . 8 1 1 A 69 69 LYS H H 69 8.756 9.003 -0.247 1
1 783 . 8 1 1 A 69 69 LYS CA C 69 55.228 55.675 -0.447 1
1 784 . 8 1 1 A 69 69 LYS HA H 69 4.791 4.949 -0.158 1
1 785 . 8 1 1 A 69 69 LYS CB C 69 33.820 33.206 0.614 1
1 797 . 8 1 1 A 69 69 LYS C C 69 177.387 175.273 2.114 1
1 798 . 8 1 1 A 70 70 ARG N N 70 127.852 125.455 2.397 1
1 799 . 8 1 1 A 70 70 ARG H H 70 8.688 8.930 -0.242 1
1 800 . 8 1 1 A 70 70 ARG CA C 70 52.929 53.857 -0.928 1
1 801 . 8 1 1 A 70 70 ARG CB C 70 34.028 33.732 0.296 1
1 809 . 8 1 1 A 70 70 ARG C C 70 175.460 175.769 -0.309 1
1 810 . 8 1 1 A 71 71 ASP CA C 71 55.193 55.076 0.117 1
1 811 . 8 1 1 A 71 71 ASP HA H 71 4.268 4.271 -0.003 1
1 812 . 8 1 1 A 71 71 ASP CB C 71 40.326 39.851 0.475 1
1 815 . 8 1 1 A 71 71 ASP C C 71 175.970 175.546 0.424 1
1 816 . 8 1 1 A 72 72 GLY N N 72 104.319 104.980 -0.661 1
1 817 . 8 1 1 A 72 72 GLY H H 72 8.642 8.690 -0.048 1
1 818 . 8 1 1 A 72 72 GLY CA C 72 45.692 46.692 -1.000 1
1 819 . 8 1 1 A 72 72 GLY HA2 H 72 4.062 3.890 0.172 1
1 820 . 8 1 1 A 72 72 GLY HA3 H 72 3.516 3.894 -0.378 1
1 821 . 8 1 1 A 72 72 GLY C C 72 172.604 173.347 -0.743 1
1 822 . 8 1 1 A 73 73 ARG N N 73 118.257 114.831 3.426 1
1 823 . 8 1 1 A 73 73 ARG H H 73 7.794 7.702 0.092 1
1 824 . 8 1 1 A 73 73 ARG CA C 73 52.893 54.315 -1.422 1
1 825 . 8 1 1 A 73 73 ARG HA H 73 4.560 4.402 0.158 1
1 826 . 8 1 1 A 73 73 ARG CB C 73 31.831 32.553 -0.722 1
1 837 . 8 1 1 A 73 73 ARG C C 73 173.057 173.816 -0.759 1
1 838 . 8 1 1 A 74 74 TYR N N 74 117.830 120.760 -2.930 1
1 839 . 8 1 1 A 74 74 TYR H H 74 8.366 8.558 -0.192 1
1 840 . 8 1 1 A 74 74 TYR CA C 74 57.987 56.843 1.144 1
1 841 . 8 1 1 A 74 74 TYR HA H 74 5.005 5.201 -0.196 1
1 842 . 8 1 1 A 74 74 TYR CB C 74 40.473 38.455 2.018 1
1 853 . 8 1 1 A 74 74 TYR C C 74 173.530 174.710 -1.180 1
1 854 . 8 1 1 A 75 75 ILE N N 75 120.880 125.293 -4.413 1
1 855 . 8 1 1 A 75 75 ILE H H 75 8.923 8.993 -0.070 1
1 856 . 8 1 1 A 75 75 ILE CA C 75 59.632 61.063 -1.431 1
1 857 . 8 1 1 A 75 75 ILE HA H 75 4.398 4.174 0.224 1
1 858 . 8 1 1 A 75 75 ILE CB C 75 37.608 37.725 -0.117 1
1 871 . 8 1 1 A 75 75 ILE C C 75 174.203 175.054 -0.851 1
1 872 . 8 1 1 A 76 76 TYR N N 76 125.586 128.143 -2.557 1
1 873 . 8 1 1 A 76 76 TYR H H 76 9.540 9.124 0.416 1
1 874 . 8 1 1 A 76 76 TYR CA C 76 59.137 56.740 2.397 1
1 875 . 8 1 1 A 76 76 TYR HA H 76 4.630 5.249 -0.619 1
1 876 . 8 1 1 A 76 76 TYR CB C 76 39.909 40.917 -1.008 1
1 887 . 8 1 1 A 76 76 TYR C C 76 174.280 174.893 -0.613 1
1 888 . 8 1 1 A 77 77 TYR N N 77 123.524 121.710 1.814 1
1 889 . 8 1 1 A 77 77 TYR H H 77 9.221 8.914 0.307 1
1 890 . 8 1 1 A 77 77 TYR CA C 77 55.476 56.025 -0.549 1
1 891 . 8 1 1 A 77 77 TYR HA H 77 4.155 5.247 -1.092 1
1 892 . 8 1 1 A 77 77 TYR CB C 77 35.926 38.855 -2.929 1
1 903 . 8 1 1 A 77 77 TYR C C 77 174.236 175.005 -0.769 1
1 904 . 8 1 1 A 78 78 LEU N N 78 123.875 125.719 -1.844 1
1 905 . 8 1 1 A 78 78 LEU H H 78 8.948 8.327 0.621 1
1 906 . 8 1 1 A 78 78 LEU CA C 78 55.635 55.785 -0.150 1
1 907 . 8 1 1 A 78 78 LEU HA H 78 4.134 4.281 -0.147 1
1 908 . 8 1 1 A 78 78 LEU CB C 78 40.856 41.507 -0.651 1
1 921 . 8 1 1 A 78 78 LEU C C 78 175.294 176.330 -1.036 1
1 922 . 8 1 1 A 79 79 ILE N N 79 127.986 126.066 1.920 1
1 923 . 8 1 1 A 79 79 ILE H H 79 8.322 8.573 -0.251 1
1 924 . 8 1 1 A 79 79 ILE CA C 79 59.349 60.614 -1.265 1
1 925 . 8 1 1 A 79 79 ILE HA H 79 4.372 4.386 -0.014 1
1 926 . 8 1 1 A 79 79 ILE CB C 79 34.277 37.618 -3.341 1
1 939 . 8 1 1 A 79 79 ILE C C 79 176.505 176.424 0.081 1
1 940 . 8 1 1 A 80 80 THR N N 80 113.978 118.576 -4.598 1
1 941 . 8 1 1 A 80 80 THR H H 80 8.276 8.859 -0.583 1
1 942 . 8 1 1 A 80 80 THR CA C 80 61.646 62.064 -0.418 1
1 943 . 8 1 1 A 80 80 THR HA H 80 4.334 4.589 -0.255 1
1 944 . 8 1 1 A 80 80 THR CB C 80 69.165 70.086 -0.921 1
1 950 . 8 1 1 A 80 80 THR C C 80 172.999 174.133 -1.134 1
1 951 . 8 1 1 A 81 81 LYS N N 81 114.856 119.300 -4.444 1
1 952 . 8 1 1 A 81 81 LYS H H 81 7.512 7.491 0.021 1
1 953 . 8 1 1 A 81 81 LYS CA C 81 54.894 54.772 0.122 1
1 954 . 8 1 1 A 81 81 LYS HA H 81 4.649 4.826 -0.177 1
1 955 . 8 1 1 A 81 81 LYS CB C 81 34.139 34.971 -0.832 1
1 964 . 8 1 1 A 81 81 LYS C C 81 175.344 176.878 -1.534 1
1 965 . 8 1 1 A 82 82 LYS N N 82 121.209 119.515 1.694 1
1 966 . 8 1 1 A 82 82 LYS H H 82 9.577 8.928 0.649 1
1 967 . 8 1 1 A 82 82 LYS CA C 82 60.198 57.988 2.210 1
1 968 . 8 1 1 A 82 82 LYS HA H 82 3.884 4.345 -0.461 1
1 969 . 8 1 1 A 82 82 LYS CB C 82 33.603 33.009 0.594 1
1 981 . 8 1 1 A 82 82 LYS C C 82 176.049 176.938 -0.889 1
1 982 . 8 1 1 A 83 83 ARG N N 83 112.456 115.726 -3.270 1
1 983 . 8 1 1 A 83 83 ARG H H 83 6.717 7.851 -1.134 1
1 984 . 8 1 1 A 83 83 ARG CA C 83 52.451 54.746 -2.295 1
1 985 . 8 1 1 A 83 83 ARG HA H 83 4.691 4.633 0.058 1
1 986 . 8 1 1 A 83 83 ARG CB C 83 32.857 32.524 0.333 1
1 995 . 8 1 1 A 83 83 ARG C C 83 177.299 176.188 1.111 1
1 996 . 8 1 1 A 84 84 ALA N N 84 124.857 124.173 0.684 1
1 997 . 8 1 1 A 84 84 ALA H H 84 9.290 8.900 0.390 1
1 998 . 8 1 1 A 84 84 ALA CA C 84 56.005 55.757 0.248 1
1 999 . 8 1 1 A 84 84 ALA HA H 84 3.895 4.047 -0.152 1
1 1000 . 8 1 1 A 84 84 ALA CB C 84 19.175 18.388 0.787 1
1 1004 . 8 1 1 A 84 84 ALA C C 84 178.350 179.534 -1.184 1
1 1005 . 8 1 1 A 85 85 SER CA C 85 58.631 61.773 -3.142 1
1 1006 . 8 1 1 A 85 85 SER HA H 85 4.338 4.098 0.240 1
1 1007 . 8 1 1 A 85 85 SER CB C 85 63.277 62.735 0.542 1
1 1010 . 8 1 1 A 85 85 SER C C 85 175.469 174.733 0.736 1
1 1011 . 8 1 1 A 86 86 HIS N N 86 121.978 116.640 5.338 1
1 1012 . 8 1 1 A 86 86 HIS H H 86 7.560 7.955 -0.395 1
1 1013 . 8 1 1 A 86 86 HIS CA C 86 54.468 55.136 -0.668 1
1 1014 . 8 1 1 A 86 86 HIS HA H 86 4.766 5.057 -0.291 1
1 1015 . 8 1 1 A 86 86 HIS CB C 86 33.069 31.619 1.450 1
1 1022 . 8 1 1 A 86 86 HIS C C 86 174.466 174.562 -0.096 1
1 1023 . 8 1 1 A 87 87 LYS N N 87 122.014 123.343 -1.329 1
1 1024 . 8 1 1 A 87 87 LYS H H 87 8.693 8.603 0.090 1
1 1025 . 8 1 1 A 87 87 LYS CA C 87 53.283 52.995 0.288 1
1 1026 . 8 1 1 A 87 87 LYS HA H 87 4.792 4.680 0.112 1
1 1027 . 8 1 1 A 87 87 LYS CB C 87 32.803 33.528 -0.725 1
1 1037 . 8 1 1 A 87 87 LYS C C 87 175.072 174.109 0.963 1
1 1038 . 8 1 1 A 88 88 PRO CA C 88 62.515 62.483 0.032 1
1 1039 . 8 1 1 A 88 88 PRO HA H 88 4.796 4.628 0.168 1
1 1040 . 8 1 1 A 88 88 PRO CB C 88 32.687 32.942 -0.255 1
1 1049 . 8 1 1 A 88 88 PRO C C 88 175.319 175.988 -0.669 1
1 1050 . 8 1 1 A 89 89 THR N N 89 107.501 111.743 -4.242 1
1 1051 . 8 1 1 A 89 89 THR H H 89 7.933 8.292 -0.359 1
1 1052 . 8 1 1 A 89 89 THR CA C 89 58.518 59.869 -1.351 1
1 1053 . 8 1 1 A 89 89 THR HA H 89 4.758 4.725 0.033 1
1 1054 . 8 1 1 A 89 89 THR CB C 89 70.861 71.841 -0.980 1
1 1060 . 8 1 1 A 89 89 THR C C 89 175.662 174.594 1.068 1
1 1061 . 8 1 1 A 90 90 TYR N N 90 120.845 124.415 -3.570 1
1 1062 . 8 1 1 A 90 90 TYR H H 90 8.751 9.000 -0.249 1
1 1063 . 8 1 1 A 90 90 TYR CA C 90 63.195 61.433 1.762 1
1 1064 . 8 1 1 A 90 90 TYR HA H 90 4.064 4.229 -0.165 1
1 1065 . 8 1 1 A 90 90 TYR CB C 90 37.372 38.412 -1.040 1
1 1076 . 8 1 1 A 90 90 TYR C C 90 178.063 177.868 0.195 1
1 1077 . 8 1 1 A 91 91 GLU N N 91 118.210 120.008 -1.798 1
1 1078 . 8 1 1 A 91 91 GLU H H 91 8.857 8.486 0.371 1
1 1079 . 8 1 1 A 91 91 GLU CA C 91 60.312 59.856 0.456 1
1 1080 . 8 1 1 A 91 91 GLU HA H 91 4.114 3.981 0.133 1
1 1081 . 8 1 1 A 91 91 GLU CB C 91 29.276 28.895 0.381 1
1 1087 . 8 1 1 A 91 91 GLU C C 91 178.970 179.067 -0.097 1
1 1088 . 8 1 1 A 92 92 ASN N N 92 117.220 118.785 -1.565 1
1 1089 . 8 1 1 A 92 92 ASN H H 92 7.894 8.241 -0.347 1
1 1090 . 8 1 1 A 92 92 ASN CA C 92 55.334 56.275 -0.941 1
1 1091 . 8 1 1 A 92 92 ASN HA H 92 4.696 4.513 0.183 1
1 1092 . 8 1 1 A 92 92 ASN CB C 92 37.704 38.584 -0.880 1
1 1098 . 8 1 1 A 92 92 ASN C C 92 178.155 177.738 0.417 1
1 1099 . 8 1 1 A 93 93 LEU N N 93 121.622 121.477 0.145 1
1 1100 . 8 1 1 A 93 93 LEU H H 93 8.038 8.100 -0.062 1
1 1101 . 8 1 1 A 93 93 LEU CA C 93 58.495 58.989 -0.494 1
1 1102 . 8 1 1 A 93 93 LEU HA H 93 4.092 4.005 0.087 1
1 1103 . 8 1 1 A 93 93 LEU CB C 93 41.383 42.000 -0.617 1
1 1116 . 8 1 1 A 93 93 LEU C C 93 177.808 178.663 -0.855 1
1 1117 . 8 1 1 A 94 94 GLN N N 94 120.352 118.443 1.909 1
1 1118 . 8 1 1 A 94 94 GLN H H 94 8.792 7.960 0.832 1
1 1119 . 8 1 1 A 94 94 GLN CA C 94 61.099 59.342 1.757 1
1 1120 . 8 1 1 A 94 94 GLN HA H 94 3.721 3.979 -0.258 1
1 1121 . 8 1 1 A 94 94 GLN CB C 94 27.560 28.714 -1.154 1
1 1130 . 8 1 1 A 94 94 GLN C C 94 178.042 178.435 -0.393 1
1 1131 . 8 1 1 A 95 95 LYS N N 95 117.824 118.443 -0.619 1
1 1132 . 8 1 1 A 95 95 LYS H H 95 7.803 7.827 -0.024 1
1 1133 . 8 1 1 A 95 95 LYS CA C 95 60.222 59.280 0.942 1
1 1134 . 8 1 1 A 95 95 LYS HA H 95 4.012 4.034 -0.022 1
1 1135 . 8 1 1 A 95 95 LYS CB C 95 33.168 32.438 0.730 1
1 1147 . 8 1 1 A 95 95 LYS C C 95 179.868 179.013 0.855 1
1 1148 . 8 1 1 A 96 96 SER N N 96 118.301 114.331 3.970 1
1 1149 . 8 1 1 A 96 96 SER H H 96 8.251 8.339 -0.088 1
1 1150 . 8 1 1 A 96 96 SER CA C 96 63.668 61.700 1.968 1
1 1151 . 8 1 1 A 96 96 SER HA H 96 3.710 4.164 -0.454 1
1 1152 . 8 1 1 A 96 96 SER CB C 96 62.882 62.573 0.309 1
1 1155 . 8 1 1 A 96 96 SER C C 96 176.400 177.503 -1.103 1
1 1156 . 8 1 1 A 97 97 LEU N N 97 122.701 122.197 0.504 1
1 1157 . 8 1 1 A 97 97 LEU H H 97 8.467 8.260 0.207 1
1 1158 . 8 1 1 A 97 97 LEU CA C 97 58.323 57.925 0.398 1
1 1159 . 8 1 1 A 97 97 LEU HA H 97 3.861 4.038 -0.177 1
1 1160 . 8 1 1 A 97 97 LEU CB C 97 42.995 41.440 1.555 1
1 1173 . 8 1 1 A 97 97 LEU C C 97 178.941 179.185 -0.244 1
1 1174 . 8 1 1 A 98 98 GLU N N 98 119.918 119.548 0.370 1
1 1175 . 8 1 1 A 98 98 GLU H H 98 8.410 8.387 0.023 1
1 1176 . 8 1 1 A 98 98 GLU CA C 98 59.561 59.443 0.118 1
1 1177 . 8 1 1 A 98 98 GLU HA H 98 3.622 3.933 -0.311 1
1 1178 . 8 1 1 A 98 98 GLU CB C 98 29.142 29.178 -0.036 1
1 1184 . 8 1 1 A 98 98 GLU C C 98 179.137 179.095 0.042 1
1 1185 . 8 1 1 A 99 99 ALA N N 99 124.193 122.575 1.618 1
1 1186 . 8 1 1 A 99 99 ALA H H 99 8.197 8.202 -0.005 1
1 1187 . 8 1 1 A 99 99 ALA CA C 99 55.016 55.165 -0.149 1
1 1188 . 8 1 1 A 99 99 ALA HA H 99 4.247 4.093 0.154 1
1 1189 . 8 1 1 A 99 99 ALA CB C 99 17.815 17.950 -0.135 1
1 1193 . 8 1 1 A 99 99 ALA C C 99 181.133 179.752 1.381 1
1 1194 . 8 1 1 A 100 100 MET N N 100 122.009 118.626 3.383 1
1 1195 . 8 1 1 A 100 100 MET H H 100 8.482 8.018 0.464 1
1 1196 . 8 1 1 A 100 100 MET CA C 100 59.826 58.357 1.469 1
1 1197 . 8 1 1 A 100 100 MET HA H 100 3.714 4.127 -0.413 1
1 1198 . 8 1 1 A 100 100 MET CB C 100 32.944 32.192 0.752 1
1 1208 . 8 1 1 A 100 100 MET C C 100 176.658 177.994 -1.336 1
1 1209 . 8 1 1 A 101 101 LYS N N 101 120.991 118.831 2.160 1
1 1210 . 8 1 1 A 101 101 LYS H H 101 8.721 7.745 0.976 1
1 1211 . 8 1 1 A 101 101 LYS CA C 101 60.563 58.829 1.734 1
1 1212 . 8 1 1 A 101 101 LYS HA H 101 3.614 4.103 -0.489 1
1 1213 . 8 1 1 A 101 101 LYS CB C 101 30.759 31.959 -1.200 1
1 1225 . 8 1 1 A 101 101 LYS C C 101 177.419 178.363 -0.944 1
1 1226 . 8 1 1 A 102 102 SER N N 102 111.833 114.652 -2.819 1
1 1227 . 8 1 1 A 102 102 SER H H 102 8.005 7.610 0.395 1
1 1228 . 8 1 1 A 102 102 SER CA C 102 61.993 61.518 0.475 1
1 1229 . 8 1 1 A 102 102 SER HA H 102 4.082 4.119 -0.037 1
1 1230 . 8 1 1 A 102 102 SER CB C 102 62.863 63.108 -0.245 1
1 1233 . 8 1 1 A 102 102 SER C C 102 176.601 176.902 -0.301 1
1 1234 . 8 1 1 A 103 103 HIS N N 103 121.793 120.940 0.853 1
1 1235 . 8 1 1 A 103 103 HIS H H 103 7.605 8.303 -0.698 1
1 1236 . 8 1 1 A 103 103 HIS CA C 103 62.090 59.639 2.451 1
1 1237 . 8 1 1 A 103 103 HIS HA H 103 4.000 4.323 -0.323 1
1 1238 . 8 1 1 A 103 103 HIS CB C 103 30.652 30.115 0.537 1
1 1245 . 8 1 1 A 103 103 HIS C C 103 179.129 176.623 2.506 1
1 1246 . 8 1 1 A 104 104 CYS N N 104 119.421 116.765 2.656 1
1 1247 . 8 1 1 A 104 104 CYS H H 104 9.261 7.759 1.502 1
1 1248 . 8 1 1 A 104 104 CYS CA C 104 63.841 63.742 0.099 1
1 1249 . 8 1 1 A 104 104 CYS HA H 104 4.105 4.286 -0.181 1
1 1250 . 8 1 1 A 104 104 CYS CB C 104 27.916 27.128 0.788 1
1 1253 . 8 1 1 A 104 104 CYS C C 104 178.176 177.557 0.619 1
1 1254 . 8 1 1 A 105 105 LEU N N 105 117.129 120.670 -3.541 1
1 1255 . 8 1 1 A 105 105 LEU H H 105 8.331 7.914 0.417 1
1 1256 . 8 1 1 A 105 105 LEU CA C 105 57.262 58.147 -0.885 1
1 1257 . 8 1 1 A 105 105 LEU HA H 105 4.245 3.961 0.284 1
1 1258 . 8 1 1 A 105 105 LEU CB C 105 42.030 41.800 0.230 1
1 1271 . 8 1 1 A 105 105 LEU C C 105 180.635 179.014 1.621 1
1 1272 . 8 1 1 A 106 106 LYS N N 106 118.583 116.970 1.613 1
1 1273 . 8 1 1 A 106 106 LYS H H 106 7.638 8.096 -0.458 1
1 1274 . 8 1 1 A 106 106 LYS CA C 106 58.075 60.282 -2.207 1
1 1275 . 8 1 1 A 106 106 LYS HA H 106 4.140 3.882 0.258 1
1 1276 . 8 1 1 A 106 106 LYS CB C 106 33.191 32.227 0.964 1
1 1288 . 8 1 1 A 106 106 LYS C C 106 177.466 179.022 -1.556 1
1 1289 . 8 1 1 A 107 107 ASN N N 107 113.320 114.715 -1.395 1
1 1290 . 8 1 1 A 107 107 ASN H H 107 7.606 8.129 -0.523 1
1 1291 . 8 1 1 A 107 107 ASN CA C 107 53.813 54.556 -0.743 1
1 1292 . 8 1 1 A 107 107 ASN HA H 107 4.841 4.507 0.334 1
1 1293 . 8 1 1 A 107 107 ASN CB C 107 39.785 38.550 1.235 1
1 1299 . 8 1 1 A 107 107 ASN C C 107 174.443 175.884 -1.441 1
1 1300 . 8 1 1 A 108 108 GLY N N 108 109.386 104.537 4.849 1
1 1301 . 8 1 1 A 108 108 GLY H H 108 7.667 8.056 -0.389 1
1 1302 . 8 1 1 A 108 108 GLY CA C 108 47.252 45.315 1.937 1
1 1303 . 8 1 1 A 108 108 GLY HA2 H 108 4.023 4.120 -0.097 1
1 1304 . 8 1 1 A 108 108 GLY HA3 H 108 4.023 4.127 -0.104 1
1 1305 . 8 1 1 A 108 108 GLY C C 108 174.436 174.364 0.072 1
1 1306 . 8 1 1 A 109 109 VAL N N 109 122.758 120.361 2.397 1
1 1307 . 8 1 1 A 109 109 VAL H H 109 8.480 8.350 0.130 1
1 1308 . 8 1 1 A 109 109 VAL CA C 109 63.788 61.902 1.886 1
1 1309 . 8 1 1 A 109 109 VAL HA H 109 4.094 4.391 -0.297 1
1 1310 . 8 1 1 A 109 109 VAL CB C 109 32.931 33.396 -0.465 1
1 1320 . 8 1 1 A 109 109 VAL C C 109 176.089 176.118 -0.029 1
1 1321 . 8 1 1 A 110 110 THR N N 110 115.431 117.423 -1.992 1
1 1322 . 8 1 1 A 110 110 THR H H 110 8.995 8.802 0.193 1
1 1323 . 8 1 1 A 110 110 THR CA C 110 62.045 61.368 0.677 1
1 1324 . 8 1 1 A 110 110 THR HA H 110 4.515 4.739 -0.224 1
1 1325 . 8 1 1 A 110 110 THR CB C 110 70.758 70.243 0.515 1
1 1331 . 8 1 1 A 110 110 THR C C 110 173.700 173.639 0.061 1
1 1332 . 8 1 1 A 111 111 ASP N N 111 123.757 120.766 2.991 1
1 1333 . 8 1 1 A 111 111 ASP H H 111 8.123 8.003 0.120 1
1 1334 . 8 1 1 A 111 111 ASP CA C 111 54.747 52.859 1.888 1
1 1335 . 8 1 1 A 111 111 ASP HA H 111 5.527 5.269 0.258 1
1 1336 . 8 1 1 A 111 111 ASP CB C 111 43.928 43.419 0.509 1
1 1339 . 8 1 1 A 111 111 ASP C C 111 172.807 174.679 -1.872 1
1 1340 . 8 1 1 A 112 112 LEU N N 112 123.145 126.578 -3.433 1
1 1341 . 8 1 1 A 112 112 LEU H H 112 8.671 9.026 -0.355 1
1 1342 . 8 1 1 A 112 112 LEU CA C 112 52.953 53.842 -0.889 1
1 1343 . 8 1 1 A 112 112 LEU HA H 112 5.213 5.185 0.028 1
1 1344 . 8 1 1 A 112 112 LEU CB C 112 47.875 46.397 1.478 1
1 1357 . 8 1 1 A 112 112 LEU C C 112 176.803 174.167 2.636 1
1 1358 . 8 1 1 A 113 113 SER N N 113 122.973 120.779 2.194 1
1 1359 . 8 1 1 A 113 113 SER H H 113 9.473 9.271 0.202 1
1 1360 . 8 1 1 A 113 113 SER CA C 113 59.207 56.666 2.541 1
1 1361 . 8 1 1 A 113 113 SER HA H 113 6.070 5.608 0.462 1
1 1362 . 8 1 1 A 113 113 SER CB C 113 67.023 65.478 1.545 1
1 1365 . 8 1 1 A 113 113 SER C C 113 172.066 172.840 -0.774 1
1 1366 . 8 1 1 A 114 114 MET N N 114 118.476 123.110 -4.634 1
1 1367 . 8 1 1 A 114 114 MET H H 114 9.080 8.756 0.324 1
1 1368 . 8 1 1 A 114 114 MET CA C 114 54.007 53.278 0.729 1
1 1369 . 8 1 1 A 114 114 MET HA H 114 5.435 5.084 0.351 1
1 1370 . 8 1 1 A 114 114 MET CB C 114 34.867 36.034 -1.167 1
1 1380 . 8 1 1 A 114 114 MET C C 114 172.934 174.318 -1.384 1
1 1381 . 8 1 1 A 115 115 PRO CA C 115 62.262 62.228 0.034 1
1 1382 . 8 1 1 A 115 115 PRO HA H 115 5.593 4.630 0.963 1
1 1383 . 8 1 1 A 115 115 PRO CB C 115 32.748 33.193 -0.445 1
1 1392 . 8 1 1 A 115 115 PRO C C 115 175.547 176.073 -0.526 1
1 1393 . 8 1 1 A 116 116 ARG N N 116 116.821 120.507 -3.686 1
1 1394 . 8 1 1 A 116 116 ARG H H 116 8.348 8.413 -0.065 1
1 1395 . 8 1 1 A 116 116 ARG CA C 116 55.785 56.011 -0.226 1
1 1396 . 8 1 1 A 116 116 ARG HA H 116 3.896 3.999 -0.103 1
1 1397 . 8 1 1 A 116 116 ARG CB C 116 27.344 30.411 -3.067 1
1 1406 . 8 1 1 A 116 116 ARG C C 116 176.796 176.100 0.696 1
1 1407 . 8 1 1 A 117 117 ILE N N 117 122.887 119.557 3.330 1
1 1408 . 8 1 1 A 117 117 ILE H H 117 7.989 8.354 -0.365 1
1 1409 . 8 1 1 A 117 117 ILE CA C 117 63.148 58.967 4.181 1
1 1410 . 8 1 1 A 117 117 ILE HA H 117 4.028 4.807 -0.779 1
1 1411 . 8 1 1 A 117 117 ILE CB C 117 40.010 41.306 -1.296 1
1 1424 . 8 1 1 A 117 117 ILE C C 117 174.324 175.851 -1.527 1
1 1425 . 8 1 1 A 118 118 GLY N N 118 107.320 112.974 -5.654 1
1 1426 . 8 1 1 A 118 118 GLY H H 118 8.662 8.863 -0.201 1
1 1427 . 8 1 1 A 118 118 GLY CA C 118 45.752 46.697 -0.945 1
1 1428 . 8 1 1 A 118 118 GLY HA2 H 118 3.693 3.990 -0.297 1
1 1429 . 8 1 1 A 118 118 GLY HA3 H 118 4.226 4.056 0.170 1
1 1430 . 8 1 1 A 118 118 GLY C C 118 172.861 173.604 -0.743 1
1 1431 . 8 1 1 A 119 119 CYS N N 119 115.336 115.013 0.323 1
1 1432 . 8 1 1 A 119 119 CYS H H 119 7.445 7.398 0.047 1
1 1433 . 8 1 1 A 119 119 CYS CA C 119 58.753 58.313 0.440 1
1 1434 . 8 1 1 A 119 119 CYS HA H 119 4.831 5.006 -0.175 1
1 1435 . 8 1 1 A 119 119 CYS CB C 119 28.840 30.649 -1.809 1
1 1438 . 8 1 1 A 121 121 LEU CA C 121 57.692 58.134 -0.442 1
1 1439 . 8 1 1 A 121 121 LEU HA H 121 4.152 3.985 0.167 1
1 1440 . 8 1 1 A 121 121 LEU CB C 121 41.644 41.920 -0.276 1
1 1453 . 8 1 1 A 123 123 ARG N N 123 107.909 122.694 -14.785 1
1 1454 . 8 1 1 A 123 123 ARG H H 123 7.536 8.640 -1.104 1
1 1455 . 8 1 1 A 123 123 ARG CA C 123 57.775 58.205 -0.430 1
1 1456 . 8 1 1 A 123 123 ARG HA H 123 3.989 4.283 -0.294 1
1 1457 . 8 1 1 A 123 123 ARG CB C 123 28.219 30.912 -2.693 1
1 1466 . 8 1 1 A 123 123 ARG C C 123 176.088 177.068 -0.980 1
1 1467 . 8 1 1 A 124 124 LEU N N 124 118.876 120.777 -1.901 1
1 1468 . 8 1 1 A 124 124 LEU H H 124 8.401 7.548 0.853 1
1 1469 . 8 1 1 A 124 124 LEU CA C 124 54.573 55.310 -0.737 1
1 1470 . 8 1 1 A 124 124 LEU HA H 124 4.533 4.277 0.256 1
1 1471 . 8 1 1 A 124 124 LEU CB C 124 39.785 42.653 -2.868 1
1 1484 . 8 1 1 A 124 124 LEU C C 124 175.551 176.336 -0.785 1
1 1485 . 8 1 1 A 125 125 GLN N N 125 116.713 118.812 -2.099 1
1 1486 . 8 1 1 A 125 125 GLN H H 125 7.779 8.852 -1.073 1
1 1487 . 8 1 1 A 125 125 GLN CA C 125 54.609 54.208 0.401 1
1 1488 . 8 1 1 A 125 125 GLN HA H 125 4.794 5.416 -0.622 1
1 1489 . 8 1 1 A 125 125 GLN CB C 125 30.327 31.227 -0.900 1
1 1498 . 8 1 1 A 125 125 GLN C C 125 177.722 176.075 1.647 1
1 1499 . 8 1 1 A 126 126 TRP N N 126 128.887 126.509 2.378 1
1 1500 . 8 1 1 A 126 126 TRP H H 126 9.755 9.329 0.426 1
1 1501 . 8 1 1 A 126 126 TRP CA C 126 59.962 61.291 -1.329 1
1 1502 . 8 1 1 A 126 126 TRP HA H 126 4.545 4.233 0.312 1
1 1503 . 8 1 1 A 126 126 TRP CB C 126 30.009 30.448 -0.439 1
1 1518 . 8 1 1 A 126 126 TRP C C 126 177.057 178.100 -1.043 1
1 1519 . 8 1 1 A 127 127 GLU N N 127 119.568 118.505 1.063 1
1 1520 . 8 1 1 A 127 127 GLU H H 127 9.946 8.460 1.486 1
1 1521 . 8 1 1 A 127 127 GLU CA C 127 60.623 59.654 0.969 1
1 1522 . 8 1 1 A 127 127 GLU HA H 127 3.780 3.930 -0.150 1
1 1523 . 8 1 1 A 127 127 GLU CB C 127 28.594 29.600 -1.006 1
1 1529 . 8 1 1 A 127 127 GLU C C 127 177.905 178.883 -0.978 1
1 1530 . 8 1 1 A 128 128 ASN N N 128 115.229 117.598 -2.369 1
1 1531 . 8 1 1 A 128 128 ASN H H 128 7.159 7.621 -0.462 1
1 1532 . 8 1 1 A 128 128 ASN CA C 128 55.370 55.709 -0.339 1
1 1533 . 8 1 1 A 128 128 ASN HA H 128 4.446 4.457 -0.011 1
1 1534 . 8 1 1 A 128 128 ASN CB C 128 38.522 38.380 0.142 1
1 1540 . 8 1 1 A 128 128 ASN C C 128 177.374 177.631 -0.257 1
1 1541 . 8 1 1 A 129 129 VAL N N 129 122.487 120.280 2.207 1
1 1542 . 8 1 1 A 129 129 VAL H H 129 8.033 7.903 0.130 1
1 1543 . 8 1 1 A 129 129 VAL CA C 129 67.289 66.771 0.518 1
1 1544 . 8 1 1 A 129 129 VAL HA H 129 3.489 3.535 -0.046 1
1 1545 . 8 1 1 A 129 129 VAL CB C 129 31.824 31.486 0.338 1
1 1555 . 8 1 1 A 129 129 VAL C C 129 177.209 177.408 -0.199 1
1 1556 . 8 1 1 A 130 130 SER N N 130 115.189 113.933 1.256 1
1 1557 . 8 1 1 A 130 130 SER H H 130 8.550 7.969 0.581 1
1 1558 . 8 1 1 A 130 130 SER CA C 130 61.477 60.725 0.752 1
1 1559 . 8 1 1 A 130 130 SER HA H 130 3.151 3.580 -0.429 1
1 1560 . 8 1 1 A 130 130 SER CB C 130 61.348 61.800 -0.452 1
1 1563 . 8 1 1 A 130 130 SER C C 130 175.971 176.709 -0.738 1
1 1564 . 8 1 1 A 131 131 ALA N N 131 123.596 123.819 -0.223 1
1 1565 . 8 1 1 A 131 131 ALA H H 131 6.551 7.889 -1.338 1
1 1566 . 8 1 1 A 131 131 ALA CA C 131 54.947 55.109 -0.162 1
1 1567 . 8 1 1 A 131 131 ALA HA H 131 4.079 3.925 0.154 1
1 1568 . 8 1 1 A 131 131 ALA CB C 131 18.023 17.884 0.139 1
1 1572 . 8 1 1 A 131 131 ALA C C 131 179.947 180.096 -0.149 1
1 1573 . 8 1 1 A 132 132 MET N N 132 119.410 116.384 3.026 1
1 1574 . 8 1 1 A 132 132 MET H H 132 7.442 8.131 -0.689 1
1 1575 . 8 1 1 A 132 132 MET CA C 132 58.917 58.470 0.447 1
1 1576 . 8 1 1 A 132 132 MET HA H 132 4.118 4.122 -0.004 1
1 1577 . 8 1 1 A 132 132 MET CB C 132 33.984 31.982 2.002 1
1 1587 . 8 1 1 A 132 132 MET C C 132 178.019 179.089 -1.070 1
1 1588 . 8 1 1 A 133 133 ILE N N 133 120.265 120.131 0.134 1
1 1589 . 8 1 1 A 133 133 ILE H H 133 8.554 7.646 0.908 1
1 1590 . 8 1 1 A 133 133 ILE CA C 133 66.859 65.148 1.711 1
1 1591 . 8 1 1 A 133 133 ILE HA H 133 3.470 3.823 -0.353 1
1 1592 . 8 1 1 A 133 133 ILE CB C 133 38.240 36.955 1.285 1
1 1605 . 8 1 1 A 133 133 ILE C C 133 177.949 177.977 -0.028 1
1 1606 . 8 1 1 A 134 134 GLU N N 134 117.011 119.872 -2.861 1
1 1607 . 8 1 1 A 134 134 GLU H H 134 8.106 7.895 0.211 1
1 1608 . 8 1 1 A 134 134 GLU CA C 134 59.844 59.695 0.149 1
1 1609 . 8 1 1 A 134 134 GLU HA H 134 3.919 4.012 -0.093 1
1 1610 . 8 1 1 A 134 134 GLU CB C 134 29.024 29.381 -0.357 1
1 1616 . 8 1 1 A 134 134 GLU C C 134 178.982 179.274 -0.292 1
1 1617 . 8 1 1 A 135 135 GLU N N 135 118.619 119.187 -0.568 1
1 1618 . 8 1 1 A 135 135 GLU H H 135 7.848 8.218 -0.370 1
1 1619 . 8 1 1 A 135 135 GLU CA C 135 59.438 59.311 0.127 1
1 1620 . 8 1 1 A 135 135 GLU HA H 135 4.090 4.077 0.013 1
1 1621 . 8 1 1 A 135 135 GLU CB C 135 29.948 29.218 0.730 1
1 1627 . 8 1 1 A 135 135 GLU C C 135 179.547 179.151 0.396 1
1 1628 . 8 1 1 A 136 136 VAL N N 136 119.915 121.368 -1.453 1
1 1629 . 8 1 1 A 136 136 VAL H H 136 8.793 8.077 0.716 1
1 1630 . 8 1 1 A 136 136 VAL CA C 136 66.122 66.417 -0.295 1
1 1631 . 8 1 1 A 136 136 VAL HA H 136 3.578 3.530 0.048 1
1 1632 . 8 1 1 A 136 136 VAL CB C 136 31.990 31.832 0.158 1
1 1642 . 8 1 1 A 136 136 VAL C C 136 177.646 177.605 0.041 1
1 1643 . 8 1 1 A 137 137 PHE N N 137 111.913 117.678 -5.765 1
1 1644 . 8 1 1 A 137 137 PHE H H 137 8.009 8.124 -0.115 1
1 1645 . 8 1 1 A 137 137 PHE CA C 137 59.545 59.565 -0.020 1
1 1646 . 8 1 1 A 137 137 PHE HA H 137 4.197 4.425 -0.228 1
1 1647 . 8 1 1 A 137 137 PHE CB C 137 38.105 38.334 -0.229 1
1 1660 . 8 1 1 A 138 138 GLU N N 138 123.997 119.227 4.770 1
1 1661 . 8 1 1 A 138 138 GLU H H 138 7.268 8.425 -1.157 1
1 1662 . 8 1 1 A 138 138 GLU CA C 138 59.222 58.759 0.463 1
1 1663 . 8 1 1 A 138 138 GLU HA H 138 4.161 4.160 0.001 1
1 1664 . 8 1 1 A 138 138 GLU CB C 138 29.644 28.938 0.706 1
1 1670 . 8 1 1 A 139 139 ALA N N 139 121.713 121.080 0.633 1
1 1671 . 8 1 1 A 139 139 ALA H H 139 8.830 7.799 1.031 1
1 1672 . 8 1 1 A 139 139 ALA CA C 139 52.894 51.016 1.878 1
1 1673 . 8 1 1 A 139 139 ALA HA H 139 4.334 4.476 -0.142 1
1 1674 . 8 1 1 A 139 139 ALA CB C 139 17.362 19.167 -1.805 1
1 1678 . 8 1 1 A 139 139 ALA C C 139 176.943 176.079 0.864 1
1 1679 . 8 1 1 A 140 140 THR N N 140 107.901 109.470 -1.569 1
1 1680 . 8 1 1 A 140 140 THR H H 140 7.809 7.631 0.178 1
1 1681 . 8 1 1 A 140 140 THR CA C 140 61.013 60.186 0.827 1
1 1682 . 8 1 1 A 140 140 THR HA H 140 4.164 4.858 -0.694 1
1 1683 . 8 1 1 A 140 140 THR CB C 140 72.698 72.306 0.392 1
1 1689 . 8 1 1 A 140 140 THR C C 140 174.222 172.876 1.346 1
1 1690 . 8 1 1 A 141 141 ASP N N 141 120.212 121.059 -0.847 1
1 1691 . 8 1 1 A 141 141 ASP H H 141 8.959 8.924 0.035 1
1 1692 . 8 1 1 A 141 141 ASP CA C 141 53.333 52.878 0.455 1
1 1693 . 8 1 1 A 141 141 ASP HA H 141 4.991 4.992 -0.001 1
1 1694 . 8 1 1 A 141 141 ASP CB C 141 40.660 41.738 -1.078 1
1 1697 . 8 1 1 A 141 141 ASP C C 141 175.403 175.379 0.024 1
1 1698 . 8 1 1 A 142 142 ILE N N 142 120.815 120.771 0.044 1
1 1699 . 8 1 1 A 142 142 ILE H H 142 7.444 7.628 -0.184 1
1 1700 . 8 1 1 A 142 142 ILE CA C 142 62.338 60.176 2.162 1
1 1701 . 8 1 1 A 142 142 ILE HA H 142 4.131 4.646 -0.515 1
1 1702 . 8 1 1 A 142 142 ILE CB C 142 38.703 40.405 -1.702 1
1 1715 . 8 1 1 A 142 142 ILE C C 142 175.399 174.558 0.841 1
1 1716 . 8 1 1 A 143 143 LYS N N 143 129.106 126.398 2.708 1
1 1717 . 8 1 1 A 143 143 LYS H H 143 8.588 9.155 -0.567 1
1 1718 . 8 1 1 A 143 143 LYS CA C 143 55.725 55.319 0.406 1
1 1719 . 8 1 1 A 143 143 LYS HA H 143 4.444 4.811 -0.367 1
1 1720 . 8 1 1 A 143 143 LYS CB C 143 33.768 34.248 -0.480 1
1 1732 . 8 1 1 A 143 143 LYS C C 143 174.820 175.219 -0.399 1
1 1733 . 8 1 1 A 144 144 ILE N N 144 122.496 124.722 -2.226 1
1 1734 . 8 1 1 A 144 144 ILE H H 144 7.884 8.927 -1.043 1
1 1735 . 8 1 1 A 144 144 ILE CA C 144 59.861 59.912 -0.051 1
1 1736 . 8 1 1 A 144 144 ILE HA H 144 4.937 5.255 -0.318 1
1 1737 . 8 1 1 A 144 144 ILE CB C 144 40.518 40.578 -0.060 1
1 1750 . 8 1 1 A 144 144 ILE C C 144 175.232 175.238 -0.006 1
1 1751 . 8 1 1 A 145 145 THR N N 145 126.667 121.874 4.793 1
1 1752 . 8 1 1 A 145 145 THR H H 145 9.100 8.737 0.363 1
1 1753 . 8 1 1 A 145 145 THR CA C 145 61.374 61.663 -0.289 1
1 1754 . 8 1 1 A 145 145 THR HA H 145 4.992 4.725 0.267 1
1 1755 . 8 1 1 A 145 145 THR CB C 145 68.907 71.606 -2.699 1
1 1761 . 8 1 1 A 145 145 THR C C 145 173.158 173.097 0.061 1
1 1762 . 8 1 1 A 146 146 VAL N N 146 127.717 128.113 -0.396 1
1 1763 . 8 1 1 A 146 146 VAL H H 146 8.818 9.159 -0.341 1
1 1764 . 8 1 1 A 146 146 VAL CA C 146 59.930 61.243 -1.313 1
1 1765 . 8 1 1 A 146 146 VAL HA H 146 5.053 4.827 0.226 1
1 1766 . 8 1 1 A 146 146 VAL CB C 146 32.906 32.767 0.139 1
1 1776 . 8 1 1 A 146 146 VAL C C 146 175.653 174.896 0.757 1
1 1777 . 8 1 1 A 147 147 TYR N N 147 129.304 127.111 2.193 1
1 1778 . 8 1 1 A 147 147 TYR H H 147 8.926 9.338 -0.412 1
1 1779 . 8 1 1 A 147 147 TYR CA C 147 57.290 56.239 1.051 1
1 1780 . 8 1 1 A 147 147 TYR HA H 147 5.283 5.430 -0.147 1
1 1781 . 8 1 1 A 147 147 TYR CB C 147 40.422 41.432 -1.010 1
1 1792 . 8 1 1 A 147 147 TYR C C 147 177.250 174.803 2.447 1
1 1793 . 8 1 1 A 148 148 THR N N 148 116.883 113.679 3.204 1
1 1794 . 8 1 1 A 148 148 THR H H 148 8.607 9.100 -0.493 1
1 1795 . 8 1 1 A 148 148 THR CA C 148 61.560 60.555 1.005 1
1 1796 . 8 1 1 A 148 148 THR HA H 148 4.431 5.050 -0.619 1
1 1797 . 8 1 1 A 148 148 THR CB C 148 70.966 71.287 -0.321 1
1 1803 . 8 1 1 A 148 148 THR C C 148 172.797 173.850 -1.053 1
1 1 . 9 1 1 A 5 5 SER CA C 5 58.376 58.252 0.124 1
1 2 . 9 1 1 A 5 5 SER HA H 5 4.528 4.576 -0.048 1
1 3 . 9 1 1 A 5 5 SER CB C 5 63.813 64.233 -0.420 1
1 5 . 9 1 1 A 5 5 SER C C 5 174.968 173.721 1.247 1
1 6 . 9 1 1 A 6 6 SER N N 6 117.996 120.306 -2.310 1
1 7 . 9 1 1 A 6 6 SER H H 6 8.503 8.519 -0.016 1
1 8 . 9 1 1 A 6 6 SER CA C 6 58.642 57.409 1.233 1
1 9 . 9 1 1 A 6 6 SER HA H 6 4.526 4.893 -0.367 1
1 10 . 9 1 1 A 6 6 SER CB C 6 63.855 63.765 0.090 1
1 13 . 9 1 1 A 6 6 SER C C 6 175.129 173.799 1.330 1
1 14 . 9 1 1 A 7 7 GLY N N 7 110.904 113.638 -2.734 1
1 15 . 9 1 1 A 7 7 GLY H H 7 8.470 8.566 -0.096 1
1 16 . 9 1 1 A 7 7 GLY CA C 7 45.430 45.961 -0.531 1
1 17 . 9 1 1 A 7 7 GLY HA2 H 7 4.030 4.099 -0.069 1
1 18 . 9 1 1 A 7 7 GLY HA3 H 7 4.030 4.099 -0.069 1
1 19 . 9 1 1 A 7 7 GLY C C 7 174.606 173.681 0.925 1
1 20 . 9 1 1 A 8 8 GLY N N 8 108.942 110.685 -1.743 1
1 21 . 9 1 1 A 8 8 GLY H H 8 8.286 7.802 0.484 1
1 22 . 9 1 1 A 8 8 GLY CA C 8 45.058 44.519 0.539 1
1 23 . 9 1 1 A 8 8 GLY HA2 H 8 4.027 4.082 -0.055 1
1 24 . 9 1 1 A 8 8 GLY HA3 H 8 4.199 4.089 0.110 1
1 25 . 9 1 1 A 8 8 GLY C C 8 173.943 173.108 0.835 1
1 26 . 9 1 1 A 9 9 SER N N 9 115.435 113.144 2.291 1
1 27 . 9 1 1 A 9 9 SER H H 9 8.275 8.665 -0.390 1
1 28 . 9 1 1 A 9 9 SER CA C 9 57.847 57.019 0.828 1
1 29 . 9 1 1 A 9 9 SER HA H 9 4.616 4.822 -0.206 1
1 30 . 9 1 1 A 9 9 SER CB C 9 64.102 63.980 0.122 1
1 33 . 9 1 1 A 9 9 SER C C 9 174.962 175.636 -0.674 1
1 34 . 9 1 1 A 10 10 ARG N N 10 126.156 124.865 1.291 1
1 35 . 9 1 1 A 10 10 ARG H H 10 9.427 8.834 0.593 1
1 36 . 9 1 1 A 10 10 ARG CA C 10 56.662 59.382 -2.720 1
1 37 . 9 1 1 A 10 10 ARG HA H 10 4.332 3.996 0.336 1
1 38 . 9 1 1 A 10 10 ARG CB C 10 30.289 29.962 0.327 1
1 49 . 9 1 1 A 10 10 ARG C C 10 175.504 177.027 -1.523 1
1 50 . 9 1 1 A 11 11 ILE N N 11 119.127 120.126 -0.999 1
1 51 . 9 1 1 A 11 11 ILE H H 11 8.176 7.753 0.423 1
1 52 . 9 1 1 A 11 11 ILE CA C 11 61.153 61.444 -0.291 1
1 53 . 9 1 1 A 11 11 ILE HA H 11 4.553 3.932 0.621 1
1 54 . 9 1 1 A 11 11 ILE CB C 11 39.949 38.112 1.837 1
1 67 . 9 1 1 A 11 11 ILE C C 11 176.134 175.024 1.110 1
1 68 . 9 1 1 A 12 12 THR N N 12 124.682 123.666 1.016 1
1 69 . 9 1 1 A 12 12 THR H H 12 8.534 8.897 -0.363 1
1 70 . 9 1 1 A 12 12 THR CA C 12 61.630 60.836 0.794 1
1 71 . 9 1 1 A 12 12 THR HA H 12 4.359 4.690 -0.331 1
1 72 . 9 1 1 A 12 12 THR CB C 12 70.705 71.354 -0.649 1
1 78 . 9 1 1 A 12 12 THR C C 12 171.804 173.182 -1.378 1
1 79 . 9 1 1 A 13 13 TYR N N 13 124.043 125.494 -1.451 1
1 80 . 9 1 1 A 13 13 TYR H H 13 8.691 8.763 -0.072 1
1 81 . 9 1 1 A 13 13 TYR CA C 13 57.846 56.899 0.947 1
1 82 . 9 1 1 A 13 13 TYR HA H 13 5.099 5.620 -0.521 1
1 83 . 9 1 1 A 13 13 TYR CB C 13 39.895 40.289 -0.394 1
1 94 . 9 1 1 A 13 13 TYR C C 13 175.924 174.951 0.973 1
1 95 . 9 1 1 A 14 14 VAL N N 14 124.012 122.985 1.027 1
1 96 . 9 1 1 A 14 14 VAL H H 14 8.633 9.117 -0.484 1
1 97 . 9 1 1 A 14 14 VAL CA C 14 60.958 60.085 0.873 1
1 98 . 9 1 1 A 14 14 VAL HA H 14 4.015 4.782 -0.767 1
1 99 . 9 1 1 A 14 14 VAL CB C 14 35.416 35.045 0.371 1
1 109 . 9 1 1 A 14 14 VAL C C 14 173.974 173.693 0.281 1
1 110 . 9 1 1 A 15 15 LYS N N 15 127.960 126.308 1.652 1
1 111 . 9 1 1 A 15 15 LYS H H 15 8.318 8.781 -0.463 1
1 112 . 9 1 1 A 15 15 LYS CA C 15 54.152 54.975 -0.823 1
1 113 . 9 1 1 A 15 15 LYS HA H 15 5.126 5.019 0.107 1
1 114 . 9 1 1 A 15 15 LYS CB C 15 32.086 34.314 -2.228 1
1 126 . 9 1 1 A 15 15 LYS C C 15 176.050 175.224 0.826 1
1 127 . 9 1 1 A 16 16 GLY N N 16 114.545 112.702 1.843 1
1 128 . 9 1 1 A 16 16 GLY H H 16 8.508 8.276 0.232 1
1 129 . 9 1 1 A 16 16 GLY CA C 16 45.006 44.032 0.974 1
1 130 . 9 1 1 A 16 16 GLY HA2 H 16 4.028 4.105 -0.077 1
1 131 . 9 1 1 A 16 16 GLY HA3 H 16 4.197 4.134 0.063 1
1 132 . 9 1 1 A 16 16 GLY C C 16 170.957 172.832 -1.875 1
1 133 . 9 1 1 A 17 17 ASP N N 17 119.423 120.903 -1.480 1
1 134 . 9 1 1 A 17 17 ASP H H 17 8.271 8.694 -0.423 1
1 135 . 9 1 1 A 17 17 ASP CA C 17 53.164 54.939 -1.775 1
1 136 . 9 1 1 A 17 17 ASP HA H 17 4.407 4.433 -0.026 1
1 137 . 9 1 1 A 17 17 ASP CB C 17 41.912 41.645 0.267 1
1 140 . 9 1 1 A 17 17 ASP C C 17 176.089 175.989 0.100 1
1 141 . 9 1 1 A 18 18 LEU N N 18 130.056 123.976 6.080 1
1 142 . 9 1 1 A 18 18 LEU H H 18 8.304 8.533 -0.229 1
1 143 . 9 1 1 A 18 18 LEU CA C 18 57.156 55.106 2.050 1
1 144 . 9 1 1 A 18 18 LEU HA H 18 2.425 3.528 -1.103 1
1 145 . 9 1 1 A 18 18 LEU CB C 18 42.959 44.362 -1.403 1
1 158 . 9 1 1 A 18 18 LEU C C 18 175.737 177.882 -2.145 1
1 159 . 9 1 1 A 19 19 PHE N N 19 109.678 116.765 -7.087 1
1 160 . 9 1 1 A 19 19 PHE H H 19 7.461 7.314 0.147 1
1 161 . 9 1 1 A 19 19 PHE CA C 19 59.844 59.748 0.096 1
1 162 . 9 1 1 A 19 19 PHE HA H 19 3.920 4.394 -0.474 1
1 163 . 9 1 1 A 19 19 PHE CB C 19 36.735 40.266 -3.531 1
1 176 . 9 1 1 A 19 19 PHE C C 19 175.833 177.557 -1.724 1
1 177 . 9 1 1 A 20 20 ALA N N 20 123.506 122.238 1.268 1
1 178 . 9 1 1 A 20 20 ALA H H 20 7.752 8.142 -0.390 1
1 179 . 9 1 1 A 20 20 ALA CA C 20 51.160 54.977 -3.817 1
1 180 . 9 1 1 A 20 20 ALA HA H 20 4.518 4.111 0.407 1
1 181 . 9 1 1 A 20 20 ALA CB C 20 18.395 18.447 -0.052 1
1 185 . 9 1 1 A 20 20 ALA C C 20 176.772 179.639 -2.867 1
1 186 . 9 1 1 A 21 21 CYS N N 21 118.823 117.204 1.619 1
1 187 . 9 1 1 A 21 21 CYS H H 21 7.225 8.174 -0.949 1
1 188 . 9 1 1 A 21 21 CYS CA C 21 56.813 63.630 -6.817 1
1 189 . 9 1 1 A 21 21 CYS HA H 21 4.580 4.169 0.411 1
1 190 . 9 1 1 A 21 21 CYS CB C 21 25.916 26.980 -1.064 1
1 193 . 9 1 1 A 21 21 CYS C C 21 170.919 175.186 -4.267 1
1 194 . 9 1 1 A 22 22 PRO CA C 22 64.000 62.600 1.400 1
1 195 . 9 1 1 A 22 22 PRO HA H 22 4.373 4.486 -0.113 1
1 196 . 9 1 1 A 22 22 PRO CB C 22 31.802 33.384 -1.582 1
1 205 . 9 1 1 A 22 22 PRO C C 22 178.609 176.556 2.053 1
1 206 . 9 1 1 A 23 23 LYS N N 23 122.870 119.863 3.007 1
1 207 . 9 1 1 A 23 23 LYS H H 23 8.785 8.895 -0.110 1
1 208 . 9 1 1 A 23 23 LYS CA C 23 58.671 56.868 1.803 1
1 209 . 9 1 1 A 23 23 LYS HA H 23 4.103 4.585 -0.482 1
1 210 . 9 1 1 A 23 23 LYS CB C 23 32.078 35.133 -3.055 1
1 222 . 9 1 1 A 23 23 LYS C C 23 175.722 178.044 -2.322 1
1 223 . 9 1 1 A 24 24 THR N N 24 102.744 105.570 -2.826 1
1 224 . 9 1 1 A 24 24 THR H H 24 7.097 7.572 -0.475 1
1 225 . 9 1 1 A 24 24 THR CA C 24 61.064 61.624 -0.560 1
1 226 . 9 1 1 A 24 24 THR HA H 24 4.166 4.584 -0.418 1
1 227 . 9 1 1 A 24 24 THR CB C 24 68.805 70.632 -1.827 1
1 233 . 9 1 1 A 24 24 THR C C 24 176.216 174.611 1.605 1
1 234 . 9 1 1 A 25 25 ASP N N 25 125.303 124.701 0.602 1
1 235 . 9 1 1 A 25 25 ASP H H 25 7.768 7.682 0.086 1
1 236 . 9 1 1 A 25 25 ASP CA C 25 55.246 55.297 -0.051 1
1 237 . 9 1 1 A 25 25 ASP HA H 25 4.536 4.524 0.012 1
1 238 . 9 1 1 A 25 25 ASP CB C 25 40.321 41.107 -0.786 1
1 241 . 9 1 1 A 25 25 ASP C C 25 177.718 175.680 2.038 1
1 242 . 9 1 1 A 26 26 SER N N 26 118.303 118.480 -0.177 1
1 243 . 9 1 1 A 26 26 SER H H 26 8.472 8.194 0.278 1
1 244 . 9 1 1 A 26 26 SER CA C 26 61.547 58.327 3.220 1
1 245 . 9 1 1 A 26 26 SER HA H 26 5.138 4.702 0.436 1
1 246 . 9 1 1 A 26 26 SER CB C 26 65.326 64.557 0.769 1
1 249 . 9 1 1 A 26 26 SER C C 26 172.446 173.600 -1.154 1
1 250 . 9 1 1 A 27 27 LEU N N 27 121.957 122.459 -0.502 1
1 251 . 9 1 1 A 27 27 LEU H H 27 8.553 8.207 0.346 1
1 252 . 9 1 1 A 27 27 LEU CA C 27 53.919 53.460 0.459 1
1 253 . 9 1 1 A 27 27 LEU HA H 27 6.004 5.746 0.258 1
1 254 . 9 1 1 A 27 27 LEU CB C 27 48.728 45.833 2.895 1
1 267 . 9 1 1 A 27 27 LEU C C 27 176.071 176.139 -0.068 1
1 268 . 9 1 1 A 28 28 ALA N N 28 119.120 122.791 -3.671 1
1 269 . 9 1 1 A 28 28 ALA H H 28 8.083 8.757 -0.674 1
1 270 . 9 1 1 A 28 28 ALA CA C 28 50.738 51.178 -0.440 1
1 271 . 9 1 1 A 28 28 ALA HA H 28 5.833 5.369 0.464 1
1 272 . 9 1 1 A 28 28 ALA CB C 28 24.493 22.559 1.934 1
1 276 . 9 1 1 A 28 28 ALA C C 28 174.396 175.251 -0.855 1
1 277 . 9 1 1 A 29 29 HIS N N 29 111.296 122.145 -10.849 1
1 278 . 9 1 1 A 29 29 HIS H H 29 8.042 8.401 -0.359 1
1 279 . 9 1 1 A 29 29 HIS CA C 29 55.617 55.267 0.350 1
1 280 . 9 1 1 A 29 29 HIS HA H 29 4.552 5.172 -0.620 1
1 281 . 9 1 1 A 29 29 HIS CB C 29 31.644 33.333 -1.689 1
1 288 . 9 1 1 A 29 29 HIS C C 29 172.453 173.233 -0.780 1
1 289 . 9 1 1 A 30 30 CYS N N 30 115.842 121.725 -5.883 1
1 290 . 9 1 1 A 30 30 CYS H H 30 8.182 7.954 0.228 1
1 291 . 9 1 1 A 30 30 CYS CA C 30 57.610 56.870 0.740 1
1 292 . 9 1 1 A 30 30 CYS HA H 30 5.489 5.347 0.142 1
1 293 . 9 1 1 A 30 30 CYS CB C 30 30.518 28.927 1.591 1
1 296 . 9 1 1 A 30 30 CYS C C 30 175.085 173.678 1.407 1
1 297 . 9 1 1 A 31 31 ILE N N 31 117.447 120.032 -2.585 1
1 298 . 9 1 1 A 31 31 ILE H H 31 9.209 8.889 0.320 1
1 299 . 9 1 1 A 31 31 ILE CA C 31 60.057 58.666 1.391 1
1 300 . 9 1 1 A 31 31 ILE HA H 31 4.816 5.022 -0.206 1
1 301 . 9 1 1 A 31 31 ILE CB C 31 43.206 42.447 0.759 1
1 314 . 9 1 1 A 31 31 ILE C C 31 173.249 174.327 -1.078 1
1 315 . 9 1 1 A 32 32 SER N N 32 111.596 118.885 -7.289 1
1 316 . 9 1 1 A 32 32 SER H H 32 7.858 8.729 -0.871 1
1 317 . 9 1 1 A 32 32 SER CA C 32 55.599 57.358 -1.759 1
1 318 . 9 1 1 A 32 32 SER HA H 32 5.139 5.091 0.048 1
1 319 . 9 1 1 A 32 32 SER CB C 32 66.377 65.698 0.679 1
1 322 . 9 1 1 A 32 32 SER C C 32 176.120 175.286 0.834 1
1 323 . 9 1 1 A 33 33 GLU N N 33 118.525 124.785 -6.260 1
1 324 . 9 1 1 A 33 33 GLU H H 33 8.189 8.886 -0.697 1
1 325 . 9 1 1 A 33 33 GLU CA C 33 59.273 59.317 -0.044 1
1 326 . 9 1 1 A 33 33 GLU HA H 33 3.759 4.052 -0.293 1
1 327 . 9 1 1 A 33 33 GLU CB C 33 30.553 29.318 1.235 1
1 333 . 9 1 1 A 33 33 GLU C C 33 177.446 177.112 0.334 1
1 334 . 9 1 1 A 34 34 ASP N N 34 113.498 116.760 -3.262 1
1 335 . 9 1 1 A 34 34 ASP H H 34 7.480 7.439 0.041 1
1 336 . 9 1 1 A 34 34 ASP CA C 34 54.511 53.906 0.605 1
1 337 . 9 1 1 A 34 34 ASP HA H 34 4.342 4.764 -0.422 1
1 338 . 9 1 1 A 34 34 ASP CB C 34 40.374 40.657 -0.283 1
1 341 . 9 1 1 A 34 34 ASP C C 34 175.854 175.619 0.235 1
1 342 . 9 1 1 A 35 35 CYS N N 35 111.837 116.581 -4.744 1
1 343 . 9 1 1 A 35 35 CYS H H 35 8.327 8.127 0.200 1
1 344 . 9 1 1 A 35 35 CYS CA C 35 61.093 59.914 1.179 1
1 345 . 9 1 1 A 35 35 CYS HA H 35 3.772 4.160 -0.388 1
1 346 . 9 1 1 A 35 35 CYS CB C 35 25.679 25.514 0.165 1
1 349 . 9 1 1 A 35 35 CYS C C 35 173.370 174.062 -0.692 1
1 350 . 9 1 1 A 36 36 ARG N N 36 117.440 121.147 -3.707 1
1 351 . 9 1 1 A 36 36 ARG H H 36 7.473 8.242 -0.769 1
1 352 . 9 1 1 A 36 36 ARG CA C 36 57.988 55.176 2.812 1
1 353 . 9 1 1 A 36 36 ARG HA H 36 3.981 4.408 -0.427 1
1 354 . 9 1 1 A 36 36 ARG CB C 36 30.430 28.844 1.586 1
1 363 . 9 1 1 A 36 36 ARG C C 36 177.233 175.235 1.998 1
1 364 . 9 1 1 A 37 37 MET CA C 37 56.118 54.557 1.561 1
1 365 . 9 1 1 A 37 37 MET HA H 37 4.036 5.312 -1.276 1
1 373 . 9 1 1 A 38 38 GLY H H 38 8.192 8.527 -0.335 1
1 374 . 9 1 1 A 38 38 GLY CA C 38 45.670 45.696 -0.026 1
1 375 . 9 1 1 A 38 38 GLY HA2 H 38 4.220 4.197 0.023 1
1 376 . 9 1 1 A 38 38 GLY HA3 H 38 3.595 4.200 -0.605 1
1 377 . 9 1 1 A 38 38 GLY C C 38 173.799 173.457 0.342 1
1 378 . 9 1 1 A 39 39 ALA N N 39 122.002 120.897 1.105 1
1 379 . 9 1 1 A 39 39 ALA H H 39 7.697 7.832 -0.135 1
1 380 . 9 1 1 A 39 39 ALA CA C 39 51.019 51.696 -0.677 1
1 381 . 9 1 1 A 39 39 ALA HA H 39 4.678 4.608 0.070 1
1 382 . 9 1 1 A 39 39 ALA CB C 39 22.608 22.331 0.277 1
1 386 . 9 1 1 A 39 39 ALA C C 39 176.769 177.230 -0.461 1
1 387 . 9 1 1 A 40 40 GLY N N 40 107.149 112.523 -5.374 1
1 388 . 9 1 1 A 40 40 GLY H H 40 8.731 8.954 -0.223 1
1 389 . 9 1 1 A 40 40 GLY CA C 40 45.768 46.399 -0.631 1
1 390 . 9 1 1 A 40 40 GLY HA2 H 40 3.957 3.961 -0.004 1
1 391 . 9 1 1 A 40 40 GLY HA3 H 40 4.220 3.964 0.256 1
1 392 . 9 1 1 A 40 40 GLY C C 40 176.747 175.221 1.526 1
1 393 . 9 1 1 A 41 41 ILE CA C 41 63.397 63.518 -0.121 1
1 394 . 9 1 1 A 41 41 ILE HA H 41 4.312 3.973 0.339 1
1 395 . 9 1 1 A 41 41 ILE CB C 41 38.794 37.505 1.289 1
1 408 . 9 1 1 A 41 41 ILE C C 41 177.249 177.978 -0.729 1
1 409 . 9 1 1 A 42 42 ALA N N 42 124.835 123.184 1.651 1
1 410 . 9 1 1 A 42 42 ALA H H 42 8.629 8.313 0.316 1
1 411 . 9 1 1 A 42 42 ALA CA C 42 55.599 55.538 0.061 1
1 412 . 9 1 1 A 42 42 ALA HA H 42 4.377 3.817 0.560 1
1 413 . 9 1 1 A 42 42 ALA CB C 42 18.155 18.488 -0.333 1
1 417 . 9 1 1 A 42 42 ALA C C 42 179.079 180.072 -0.993 1
1 418 . 9 1 1 A 43 43 VAL N N 43 116.015 118.298 -2.283 1
1 419 . 9 1 1 A 43 43 VAL H H 43 7.363 7.866 -0.503 1
1 420 . 9 1 1 A 43 43 VAL CA C 43 65.623 67.025 -1.402 1
1 421 . 9 1 1 A 43 43 VAL HA H 43 3.822 3.661 0.161 1
1 422 . 9 1 1 A 43 43 VAL CB C 43 32.408 31.557 0.851 1
1 432 . 9 1 1 A 43 43 VAL C C 43 178.285 178.154 0.131 1
1 433 . 9 1 1 A 44 44 LEU N N 44 119.736 120.071 -0.335 1
1 434 . 9 1 1 A 44 44 LEU H H 44 7.357 8.189 -0.832 1
1 435 . 9 1 1 A 44 44 LEU CA C 44 57.460 58.209 -0.749 1
1 436 . 9 1 1 A 44 44 LEU HA H 44 3.968 3.758 0.210 1
1 437 . 9 1 1 A 44 44 LEU CB C 44 41.234 41.497 -0.263 1
1 450 . 9 1 1 A 44 44 LEU C C 44 179.972 179.472 0.500 1
1 451 . 9 1 1 A 45 45 PHE N N 45 118.434 117.457 0.977 1
1 452 . 9 1 1 A 45 45 PHE H H 45 7.733 7.960 -0.227 1
1 453 . 9 1 1 A 45 45 PHE CA C 45 63.151 60.406 2.745 1
1 454 . 9 1 1 A 45 45 PHE HA H 45 4.009 4.174 -0.165 1
1 455 . 9 1 1 A 45 45 PHE CB C 45 39.883 38.625 1.258 1
1 468 . 9 1 1 A 45 45 PHE C C 45 180.448 178.064 2.384 1
1 469 . 9 1 1 A 46 46 LYS N N 46 124.749 121.448 3.301 1
1 470 . 9 1 1 A 46 46 LYS H H 46 8.819 8.607 0.212 1
1 471 . 9 1 1 A 46 46 LYS CA C 46 60.958 58.958 2.000 1
1 472 . 9 1 1 A 46 46 LYS HA H 46 4.160 4.197 -0.037 1
1 473 . 9 1 1 A 46 46 LYS CB C 46 31.930 32.073 -0.143 1
1 485 . 9 1 1 A 46 46 LYS C C 46 179.139 178.312 0.827 1
1 486 . 9 1 1 A 47 47 LYS N N 47 119.317 118.530 0.787 1
1 487 . 9 1 1 A 47 47 LYS H H 47 8.154 8.073 0.081 1
1 488 . 9 1 1 A 47 47 LYS CA C 47 59.331 57.858 1.473 1
1 489 . 9 1 1 A 47 47 LYS HA H 47 3.939 4.203 -0.264 1
1 490 . 9 1 1 A 47 47 LYS CB C 47 33.065 33.111 -0.046 1
1 502 . 9 1 1 A 47 47 LYS C C 47 178.108 178.757 -0.649 1
1 503 . 9 1 1 A 48 48 LYS N N 48 116.005 120.219 -4.214 1
1 504 . 9 1 1 A 48 48 LYS H H 48 7.976 7.838 0.138 1
1 505 . 9 1 1 A 48 48 LYS CA C 48 58.650 58.724 -0.074 1
1 506 . 9 1 1 A 48 48 LYS HA H 48 3.684 3.656 0.028 1
1 507 . 9 1 1 A 48 48 LYS CB C 48 32.372 31.119 1.253 1
1 519 . 9 1 1 A 48 48 LYS C C 48 178.213 177.845 0.368 1
1 520 . 9 1 1 A 49 49 PHE N N 49 112.629 114.086 -1.457 1
1 521 . 9 1 1 A 49 49 PHE H H 49 7.658 7.270 0.388 1
1 522 . 9 1 1 A 49 49 PHE CA C 49 56.958 59.347 -2.389 1
1 523 . 9 1 1 A 49 49 PHE HA H 49 5.028 4.637 0.391 1
1 524 . 9 1 1 A 49 49 PHE CB C 49 40.496 40.597 -0.101 1
1 537 . 9 1 1 A 49 49 PHE C C 49 176.188 176.876 -0.688 1
1 538 . 9 1 1 A 50 50 GLY N N 50 108.499 108.473 0.026 1
1 539 . 9 1 1 A 50 50 GLY H H 50 7.821 8.158 -0.337 1
1 540 . 9 1 1 A 50 50 GLY CA C 50 46.579 47.124 -0.545 1
1 541 . 9 1 1 A 50 50 GLY HA2 H 50 3.953 3.926 0.027 1
1 542 . 9 1 1 A 50 50 GLY HA3 H 50 3.953 3.968 -0.015 1
1 543 . 9 1 1 A 50 50 GLY C C 50 174.288 175.838 -1.550 1
1 544 . 9 1 1 A 51 51 GLY N N 51 108.968 109.041 -0.073 1
1 545 . 9 1 1 A 51 51 GLY H H 51 8.600 8.389 0.211 1
1 546 . 9 1 1 A 51 51 GLY CA C 51 46.597 47.125 -0.528 1
1 547 . 9 1 1 A 51 51 GLY HA2 H 51 3.943 3.888 0.055 1
1 548 . 9 1 1 A 51 51 GLY HA3 H 51 4.047 3.898 0.149 1
1 549 . 9 1 1 A 51 51 GLY C C 51 174.522 175.576 -1.054 1
1 550 . 9 1 1 A 52 52 VAL N N 52 118.929 119.797 -0.868 1
1 551 . 9 1 1 A 52 52 VAL H H 52 7.980 8.016 -0.036 1
1 552 . 9 1 1 A 52 52 VAL CA C 52 68.080 65.530 2.550 1
1 553 . 9 1 1 A 52 52 VAL HA H 52 3.334 3.713 -0.379 1
1 554 . 9 1 1 A 52 52 VAL CB C 52 31.150 31.172 -0.022 1
1 564 . 9 1 1 A 52 52 VAL C C 52 177.566 177.688 -0.122 1
1 565 . 9 1 1 A 53 53 GLN N N 53 116.880 120.781 -3.901 1
1 566 . 9 1 1 A 53 53 GLN H H 53 8.513 7.959 0.554 1
1 567 . 9 1 1 A 53 53 GLN CA C 53 58.730 58.614 0.116 1
1 568 . 9 1 1 A 53 53 GLN HA H 53 3.946 4.030 -0.084 1
1 569 . 9 1 1 A 53 53 GLN CB C 53 28.098 28.221 -0.123 1
1 578 . 9 1 1 A 53 53 GLN C C 53 177.916 178.471 -0.555 1
1 579 . 9 1 1 A 54 54 GLU N N 54 119.584 119.817 -0.233 1
1 580 . 9 1 1 A 54 54 GLU H H 54 7.525 8.043 -0.518 1
1 581 . 9 1 1 A 54 54 GLU CA C 54 59.754 58.862 0.892 1
1 582 . 9 1 1 A 54 54 GLU HA H 54 3.980 4.074 -0.094 1
1 583 . 9 1 1 A 54 54 GLU CB C 54 29.509 30.079 -0.570 1
1 589 . 9 1 1 A 54 54 GLU C C 54 180.168 179.680 0.488 1
1 590 . 9 1 1 A 55 55 LEU N N 55 121.130 121.095 0.035 1
1 591 . 9 1 1 A 55 55 LEU H H 55 8.437 8.176 0.261 1
1 592 . 9 1 1 A 55 55 LEU CA C 55 58.005 57.761 0.244 1
1 593 . 9 1 1 A 55 55 LEU HA H 55 3.870 3.869 0.001 1
1 594 . 9 1 1 A 55 55 LEU CB C 55 42.588 41.435 1.153 1
1 607 . 9 1 1 A 55 55 LEU C C 55 180.835 179.158 1.677 1
1 608 . 9 1 1 A 56 56 LEU N N 56 123.508 118.302 5.206 1
1 609 . 9 1 1 A 56 56 LEU H H 56 8.664 7.795 0.869 1
1 610 . 9 1 1 A 56 56 LEU CA C 56 58.397 57.863 0.534 1
1 611 . 9 1 1 A 56 56 LEU HA H 56 3.972 3.892 0.080 1
1 612 . 9 1 1 A 56 56 LEU CB C 56 42.087 41.371 0.716 1
1 625 . 9 1 1 A 56 56 LEU C C 56 181.257 179.266 1.991 1
1 626 . 9 1 1 A 57 57 ASN N N 57 116.946 118.274 -1.328 1
1 627 . 9 1 1 A 57 57 ASN H H 57 8.334 8.066 0.268 1
1 628 . 9 1 1 A 57 57 ASN CA C 57 54.627 56.521 -1.894 1
1 629 . 9 1 1 A 57 57 ASN HA H 57 4.566 4.416 0.150 1
1 630 . 9 1 1 A 57 57 ASN CB C 57 38.170 37.906 0.264 1
1 636 . 9 1 1 A 57 57 ASN C C 57 176.756 178.246 -1.490 1
1 637 . 9 1 1 A 58 58 GLN N N 58 118.214 116.903 1.311 1
1 638 . 9 1 1 A 58 58 GLN H H 58 7.670 7.798 -0.128 1
1 639 . 9 1 1 A 58 58 GLN CA C 58 58.022 56.716 1.306 1
1 640 . 9 1 1 A 58 58 GLN HA H 58 4.184 4.221 -0.037 1
1 641 . 9 1 1 A 58 58 GLN CB C 58 28.460 28.729 -0.269 1
1 650 . 9 1 1 A 58 58 GLN C C 58 175.792 175.561 0.231 1
1 651 . 9 1 1 A 59 59 GLN N N 59 114.113 116.033 -1.920 1
1 652 . 9 1 1 A 59 59 GLN H H 59 7.825 8.087 -0.262 1
1 653 . 9 1 1 A 59 59 GLN CA C 59 56.584 56.676 -0.092 1
1 654 . 9 1 1 A 59 59 GLN HA H 59 4.015 3.842 0.173 1
1 655 . 9 1 1 A 59 59 GLN CB C 59 26.829 26.594 0.235 1
1 664 . 9 1 1 A 59 59 GLN C C 59 175.049 175.221 -0.172 1
1 665 . 9 1 1 A 60 60 LYS N N 60 118.472 119.130 -0.658 1
1 666 . 9 1 1 A 60 60 LYS H H 60 9.134 8.119 1.015 1
1 667 . 9 1 1 A 60 60 LYS CA C 60 54.005 56.636 -2.631 1
1 668 . 9 1 1 A 60 60 LYS HA H 60 4.458 4.300 0.158 1
1 669 . 9 1 1 A 60 60 LYS CB C 60 32.573 34.078 -1.505 1
1 681 . 9 1 1 A 60 60 LYS C C 60 176.936 175.757 1.179 1
1 682 . 9 1 1 A 61 61 LYS N N 61 121.877 118.003 3.874 1
1 683 . 9 1 1 A 61 61 LYS H H 61 9.069 8.982 0.087 1
1 684 . 9 1 1 A 61 61 LYS CA C 61 53.421 54.540 -1.119 1
1 685 . 9 1 1 A 61 61 LYS HA H 61 4.517 5.302 -0.785 1
1 686 . 9 1 1 A 61 61 LYS CB C 61 35.816 36.090 -0.274 1
1 698 . 9 1 1 A 61 61 LYS C C 61 175.049 175.375 -0.326 1
1 699 . 9 1 1 A 62 62 SER N N 62 114.153 117.954 -3.801 1
1 700 . 9 1 1 A 62 62 SER H H 62 8.524 8.312 0.212 1
1 701 . 9 1 1 A 62 62 SER CA C 62 60.959 60.620 0.339 1
1 702 . 9 1 1 A 62 62 SER HA H 62 3.954 4.019 -0.065 1
1 703 . 9 1 1 A 62 62 SER CB C 62 64.374 62.683 1.691 1
1 706 . 9 1 1 A 62 62 SER C C 62 175.660 175.389 0.271 1
1 707 . 9 1 1 A 63 63 GLY N N 63 111.615 113.679 -2.064 1
1 708 . 9 1 1 A 63 63 GLY H H 63 9.308 9.114 0.194 1
1 709 . 9 1 1 A 63 63 GLY CA C 63 44.971 45.285 -0.314 1
1 710 . 9 1 1 A 63 63 GLY HA2 H 63 4.188 4.024 0.164 1
1 711 . 9 1 1 A 63 63 GLY HA3 H 63 4.188 4.029 0.159 1
1 712 . 9 1 1 A 63 63 GLY C C 63 172.420 174.781 -2.361 1
1 713 . 9 1 1 A 64 64 GLU N N 64 117.287 120.017 -2.730 1
1 714 . 9 1 1 A 64 64 GLU H H 64 7.909 8.283 -0.374 1
1 715 . 9 1 1 A 64 64 GLU CA C 64 53.972 55.083 -1.111 1
1 716 . 9 1 1 A 64 64 GLU HA H 64 4.549 4.724 -0.175 1
1 717 . 9 1 1 A 64 64 GLU CB C 64 32.449 31.720 0.729 1
1 723 . 9 1 1 A 64 64 GLU C C 64 174.611 175.009 -0.398 1
1 724 . 9 1 1 A 65 65 VAL N N 65 118.093 121.101 -3.008 1
1 725 . 9 1 1 A 65 65 VAL H H 65 8.337 8.740 -0.403 1
1 726 . 9 1 1 A 65 65 VAL CA C 65 59.380 59.592 -0.212 1
1 727 . 9 1 1 A 65 65 VAL HA H 65 5.149 5.023 0.126 1
1 728 . 9 1 1 A 65 65 VAL CB C 65 35.892 35.445 0.447 1
1 738 . 9 1 1 A 65 65 VAL C C 65 172.013 173.645 -1.632 1
1 739 . 9 1 1 A 66 66 ALA N N 66 130.790 129.066 1.724 1
1 740 . 9 1 1 A 66 66 ALA H H 66 8.876 8.515 0.361 1
1 741 . 9 1 1 A 66 66 ALA CA C 66 50.170 50.251 -0.081 1
1 742 . 9 1 1 A 66 66 ALA HA H 66 4.879 5.355 -0.476 1
1 743 . 9 1 1 A 66 66 ALA CB C 66 21.291 22.423 -1.132 1
1 747 . 9 1 1 A 66 66 ALA C C 66 175.997 176.110 -0.113 1
1 748 . 9 1 1 A 67 67 VAL N N 67 119.453 121.099 -1.646 1
1 749 . 9 1 1 A 67 67 VAL H H 67 8.615 8.399 0.216 1
1 750 . 9 1 1 A 67 67 VAL CA C 67 61.078 61.065 0.013 1
1 751 . 9 1 1 A 67 67 VAL HA H 67 5.255 5.085 0.170 1
1 752 . 9 1 1 A 67 67 VAL CB C 67 36.283 33.970 2.313 1
1 762 . 9 1 1 A 67 67 VAL C C 67 176.213 174.332 1.881 1
1 763 . 9 1 1 A 68 68 LEU N N 68 126.404 129.733 -3.329 1
1 764 . 9 1 1 A 68 68 LEU H H 68 9.013 8.726 0.287 1
1 765 . 9 1 1 A 68 68 LEU CA C 68 53.424 53.735 -0.311 1
1 766 . 9 1 1 A 68 68 LEU HA H 68 4.809 5.049 -0.240 1
1 767 . 9 1 1 A 68 68 LEU CB C 68 46.473 45.935 0.538 1
1 780 . 9 1 1 A 68 68 LEU C C 68 174.704 174.733 -0.029 1
1 781 . 9 1 1 A 69 69 LYS N N 69 123.462 128.670 -5.208 1
1 782 . 9 1 1 A 69 69 LYS H H 69 8.756 8.971 -0.215 1
1 783 . 9 1 1 A 69 69 LYS CA C 69 55.228 56.066 -0.838 1
1 784 . 9 1 1 A 69 69 LYS HA H 69 4.791 4.846 -0.055 1
1 785 . 9 1 1 A 69 69 LYS CB C 69 33.820 33.251 0.569 1
1 797 . 9 1 1 A 69 69 LYS C C 69 177.387 175.390 1.997 1
1 798 . 9 1 1 A 70 70 ARG N N 70 127.852 125.067 2.785 1
1 799 . 9 1 1 A 70 70 ARG H H 70 8.688 8.523 0.165 1
1 800 . 9 1 1 A 70 70 ARG CA C 70 52.929 53.767 -0.838 1
1 801 . 9 1 1 A 70 70 ARG CB C 70 34.028 33.593 0.435 1
1 809 . 9 1 1 A 70 70 ARG C C 70 175.460 175.049 0.411 1
1 810 . 9 1 1 A 71 71 ASP CA C 71 55.193 55.325 -0.132 1
1 811 . 9 1 1 A 71 71 ASP HA H 71 4.268 4.355 -0.087 1
1 812 . 9 1 1 A 71 71 ASP CB C 71 40.326 39.593 0.733 1
1 815 . 9 1 1 A 71 71 ASP C C 71 175.970 176.251 -0.281 1
1 816 . 9 1 1 A 72 72 GLY N N 72 104.319 103.938 0.381 1
1 817 . 9 1 1 A 72 72 GLY H H 72 8.642 8.632 0.010 1
1 818 . 9 1 1 A 72 72 GLY CA C 72 45.692 46.451 -0.759 1
1 819 . 9 1 1 A 72 72 GLY HA2 H 72 4.062 3.857 0.205 1
1 820 . 9 1 1 A 72 72 GLY HA3 H 72 3.516 3.886 -0.370 1
1 821 . 9 1 1 A 72 72 GLY C C 72 172.604 173.317 -0.713 1
1 822 . 9 1 1 A 73 73 ARG N N 73 118.257 114.419 3.838 1
1 823 . 9 1 1 A 73 73 ARG H H 73 7.794 7.297 0.497 1
1 824 . 9 1 1 A 73 73 ARG CA C 73 52.893 54.374 -1.481 1
1 825 . 9 1 1 A 73 73 ARG HA H 73 4.560 4.302 0.258 1
1 826 . 9 1 1 A 73 73 ARG CB C 73 31.831 32.034 -0.203 1
1 837 . 9 1 1 A 73 73 ARG C C 73 173.057 173.502 -0.445 1
1 838 . 9 1 1 A 74 74 TYR N N 74 117.830 117.779 0.051 1
1 839 . 9 1 1 A 74 74 TYR H H 74 8.366 7.963 0.403 1
1 840 . 9 1 1 A 74 74 TYR CA C 74 57.987 56.853 1.134 1
1 841 . 9 1 1 A 74 74 TYR HA H 74 5.005 5.132 -0.127 1
1 842 . 9 1 1 A 74 74 TYR CB C 74 40.473 39.410 1.063 1
1 853 . 9 1 1 A 74 74 TYR C C 74 173.530 174.367 -0.837 1
1 854 . 9 1 1 A 75 75 ILE N N 75 120.880 124.687 -3.807 1
1 855 . 9 1 1 A 75 75 ILE H H 75 8.923 8.822 0.101 1
1 856 . 9 1 1 A 75 75 ILE CA C 75 59.632 60.251 -0.619 1
1 857 . 9 1 1 A 75 75 ILE HA H 75 4.398 4.406 -0.008 1
1 858 . 9 1 1 A 75 75 ILE CB C 75 37.608 38.365 -0.757 1
1 871 . 9 1 1 A 75 75 ILE C C 75 174.203 174.750 -0.547 1
1 872 . 9 1 1 A 76 76 TYR N N 76 125.586 127.533 -1.947 1
1 873 . 9 1 1 A 76 76 TYR H H 76 9.540 8.794 0.746 1
1 874 . 9 1 1 A 76 76 TYR CA C 76 59.137 56.731 2.406 1
1 875 . 9 1 1 A 76 76 TYR HA H 76 4.630 5.552 -0.922 1
1 876 . 9 1 1 A 76 76 TYR CB C 76 39.909 41.129 -1.220 1
1 887 . 9 1 1 A 76 76 TYR C C 76 174.280 174.661 -0.381 1
1 888 . 9 1 1 A 77 77 TYR N N 77 123.524 121.881 1.643 1
1 889 . 9 1 1 A 77 77 TYR H H 77 9.221 8.960 0.261 1
1 890 . 9 1 1 A 77 77 TYR CA C 77 55.476 56.507 -1.031 1
1 891 . 9 1 1 A 77 77 TYR HA H 77 4.155 5.211 -1.056 1
1 892 . 9 1 1 A 77 77 TYR CB C 77 35.926 39.238 -3.312 1
1 903 . 9 1 1 A 77 77 TYR C C 77 174.236 175.138 -0.902 1
1 904 . 9 1 1 A 78 78 LEU N N 78 123.875 125.791 -1.916 1
1 905 . 9 1 1 A 78 78 LEU H H 78 8.948 8.558 0.390 1
1 906 . 9 1 1 A 78 78 LEU CA C 78 55.635 55.758 -0.123 1
1 907 . 9 1 1 A 78 78 LEU HA H 78 4.134 4.345 -0.211 1
1 908 . 9 1 1 A 78 78 LEU CB C 78 40.856 41.844 -0.988 1
1 921 . 9 1 1 A 78 78 LEU C C 78 175.294 176.318 -1.024 1
1 922 . 9 1 1 A 79 79 ILE N N 79 127.986 125.590 2.396 1
1 923 . 9 1 1 A 79 79 ILE H H 79 8.322 8.526 -0.204 1
1 924 . 9 1 1 A 79 79 ILE CA C 79 59.349 60.576 -1.227 1
1 925 . 9 1 1 A 79 79 ILE HA H 79 4.372 4.614 -0.242 1
1 926 . 9 1 1 A 79 79 ILE CB C 79 34.277 39.072 -4.795 1
1 939 . 9 1 1 A 79 79 ILE C C 79 176.505 176.032 0.473 1
1 940 . 9 1 1 A 80 80 THR N N 80 113.978 118.654 -4.676 1
1 941 . 9 1 1 A 80 80 THR H H 80 8.276 8.831 -0.555 1
1 942 . 9 1 1 A 80 80 THR CA C 80 61.646 62.045 -0.399 1
1 943 . 9 1 1 A 80 80 THR HA H 80 4.334 4.581 -0.247 1
1 944 . 9 1 1 A 80 80 THR CB C 80 69.165 69.831 -0.666 1
1 950 . 9 1 1 A 80 80 THR C C 80 172.999 174.238 -1.239 1
1 951 . 9 1 1 A 81 81 LYS N N 81 114.856 119.265 -4.409 1
1 952 . 9 1 1 A 81 81 LYS H H 81 7.512 7.467 0.045 1
1 953 . 9 1 1 A 81 81 LYS CA C 81 54.894 54.567 0.327 1
1 954 . 9 1 1 A 81 81 LYS HA H 81 4.649 4.791 -0.142 1
1 955 . 9 1 1 A 81 81 LYS CB C 81 34.139 35.191 -1.052 1
1 964 . 9 1 1 A 81 81 LYS C C 81 175.344 176.949 -1.605 1
1 965 . 9 1 1 A 82 82 LYS N N 82 121.209 120.445 0.764 1
1 966 . 9 1 1 A 82 82 LYS H H 82 9.577 8.784 0.793 1
1 967 . 9 1 1 A 82 82 LYS CA C 82 60.198 58.850 1.348 1
1 968 . 9 1 1 A 82 82 LYS HA H 82 3.884 4.294 -0.410 1
1 969 . 9 1 1 A 82 82 LYS CB C 82 33.603 32.808 0.795 1
1 981 . 9 1 1 A 82 82 LYS C C 82 176.049 176.752 -0.703 1
1 982 . 9 1 1 A 83 83 ARG N N 83 112.456 117.825 -5.369 1
1 983 . 9 1 1 A 83 83 ARG H H 83 6.717 8.123 -1.406 1
1 984 . 9 1 1 A 83 83 ARG CA C 83 52.451 54.459 -2.008 1
1 985 . 9 1 1 A 83 83 ARG HA H 83 4.691 4.717 -0.026 1
1 986 . 9 1 1 A 83 83 ARG CB C 83 32.857 32.845 0.012 1
1 995 . 9 1 1 A 83 83 ARG C C 83 177.299 177.244 0.055 1
1 996 . 9 1 1 A 84 84 ALA N N 84 124.857 123.813 1.044 1
1 997 . 9 1 1 A 84 84 ALA H H 84 9.290 8.847 0.443 1
1 998 . 9 1 1 A 84 84 ALA CA C 84 56.005 55.094 0.911 1
1 999 . 9 1 1 A 84 84 ALA HA H 84 3.895 3.971 -0.076 1
1 1000 . 9 1 1 A 84 84 ALA CB C 84 19.175 17.974 1.201 1
1 1004 . 9 1 1 A 84 84 ALA C C 84 178.350 179.775 -1.425 1
1 1005 . 9 1 1 A 85 85 SER CA C 85 58.631 60.981 -2.350 1
1 1006 . 9 1 1 A 85 85 SER HA H 85 4.338 3.941 0.397 1
1 1007 . 9 1 1 A 85 85 SER CB C 85 63.277 62.714 0.563 1
1 1010 . 9 1 1 A 85 85 SER C C 85 175.469 174.245 1.224 1
1 1011 . 9 1 1 A 86 86 HIS N N 86 121.978 117.346 4.632 1
1 1012 . 9 1 1 A 86 86 HIS H H 86 7.560 7.642 -0.082 1
1 1013 . 9 1 1 A 86 86 HIS CA C 86 54.468 56.138 -1.670 1
1 1014 . 9 1 1 A 86 86 HIS HA H 86 4.766 4.855 -0.089 1
1 1015 . 9 1 1 A 86 86 HIS CB C 86 33.069 31.807 1.262 1
1 1022 . 9 1 1 A 86 86 HIS C C 86 174.466 175.544 -1.078 1
1 1023 . 9 1 1 A 87 87 LYS N N 87 122.014 121.409 0.605 1
1 1024 . 9 1 1 A 87 87 LYS H H 87 8.693 8.510 0.183 1
1 1025 . 9 1 1 A 87 87 LYS CA C 87 53.283 53.062 0.221 1
1 1026 . 9 1 1 A 87 87 LYS HA H 87 4.792 4.664 0.128 1
1 1027 . 9 1 1 A 87 87 LYS CB C 87 32.803 33.775 -0.972 1
1 1037 . 9 1 1 A 87 87 LYS C C 87 175.072 174.181 0.891 1
1 1038 . 9 1 1 A 88 88 PRO CA C 88 62.515 63.013 -0.498 1
1 1039 . 9 1 1 A 88 88 PRO HA H 88 4.796 4.651 0.145 1
1 1040 . 9 1 1 A 88 88 PRO CB C 88 32.687 31.796 0.891 1
1 1049 . 9 1 1 A 88 88 PRO C C 88 175.319 176.438 -1.119 1
1 1050 . 9 1 1 A 89 89 THR N N 89 107.501 112.739 -5.238 1
1 1051 . 9 1 1 A 89 89 THR H H 89 7.933 8.192 -0.259 1
1 1052 . 9 1 1 A 89 89 THR CA C 89 58.518 59.877 -1.359 1
1 1053 . 9 1 1 A 89 89 THR HA H 89 4.758 4.516 0.242 1
1 1054 . 9 1 1 A 89 89 THR CB C 89 70.861 71.143 -0.282 1
1 1060 . 9 1 1 A 89 89 THR C C 89 175.662 175.760 -0.098 1
1 1061 . 9 1 1 A 90 90 TYR N N 90 120.845 123.976 -3.131 1
1 1062 . 9 1 1 A 90 90 TYR H H 90 8.751 8.779 -0.028 1
1 1063 . 9 1 1 A 90 90 TYR CA C 90 63.195 61.150 2.045 1
1 1064 . 9 1 1 A 90 90 TYR HA H 90 4.064 4.183 -0.119 1
1 1065 . 9 1 1 A 90 90 TYR CB C 90 37.372 38.040 -0.668 1
1 1076 . 9 1 1 A 90 90 TYR C C 90 178.063 178.159 -0.096 1
1 1077 . 9 1 1 A 91 91 GLU N N 91 118.210 120.162 -1.952 1
1 1078 . 9 1 1 A 91 91 GLU H H 91 8.857 8.436 0.421 1
1 1079 . 9 1 1 A 91 91 GLU CA C 91 60.312 59.768 0.544 1
1 1080 . 9 1 1 A 91 91 GLU HA H 91 4.114 3.999 0.115 1
1 1081 . 9 1 1 A 91 91 GLU CB C 91 29.276 28.934 0.342 1
1 1087 . 9 1 1 A 91 91 GLU C C 91 178.970 179.267 -0.297 1
1 1088 . 9 1 1 A 92 92 ASN N N 92 117.220 118.771 -1.551 1
1 1089 . 9 1 1 A 92 92 ASN H H 92 7.894 7.674 0.220 1
1 1090 . 9 1 1 A 92 92 ASN CA C 92 55.334 56.399 -1.065 1
1 1091 . 9 1 1 A 92 92 ASN HA H 92 4.696 4.541 0.155 1
1 1092 . 9 1 1 A 92 92 ASN CB C 92 37.704 37.955 -0.251 1
1 1098 . 9 1 1 A 92 92 ASN C C 92 178.155 177.705 0.450 1
1 1099 . 9 1 1 A 93 93 LEU N N 93 121.622 121.363 0.259 1
1 1100 . 9 1 1 A 93 93 LEU H H 93 8.038 8.419 -0.381 1
1 1101 . 9 1 1 A 93 93 LEU CA C 93 58.495 58.854 -0.359 1
1 1102 . 9 1 1 A 93 93 LEU HA H 93 4.092 3.995 0.097 1
1 1103 . 9 1 1 A 93 93 LEU CB C 93 41.383 42.000 -0.617 1
1 1116 . 9 1 1 A 93 93 LEU C C 93 177.808 178.426 -0.618 1
1 1117 . 9 1 1 A 94 94 GLN N N 94 120.352 118.239 2.113 1
1 1118 . 9 1 1 A 94 94 GLN H H 94 8.792 8.126 0.666 1
1 1119 . 9 1 1 A 94 94 GLN CA C 94 61.099 59.279 1.820 1
1 1120 . 9 1 1 A 94 94 GLN HA H 94 3.721 4.000 -0.279 1
1 1121 . 9 1 1 A 94 94 GLN CB C 94 27.560 28.791 -1.231 1
1 1130 . 9 1 1 A 94 94 GLN C C 94 178.042 178.342 -0.300 1
1 1131 . 9 1 1 A 95 95 LYS N N 95 117.824 118.620 -0.796 1
1 1132 . 9 1 1 A 95 95 LYS H H 95 7.803 7.708 0.095 1
1 1133 . 9 1 1 A 95 95 LYS CA C 95 60.222 59.249 0.973 1
1 1134 . 9 1 1 A 95 95 LYS HA H 95 4.012 3.976 0.036 1
1 1135 . 9 1 1 A 95 95 LYS CB C 95 33.168 32.314 0.854 1
1 1147 . 9 1 1 A 95 95 LYS C C 95 179.868 179.125 0.743 1
1 1148 . 9 1 1 A 96 96 SER N N 96 118.301 115.941 2.360 1
1 1149 . 9 1 1 A 96 96 SER H H 96 8.251 8.051 0.200 1
1 1150 . 9 1 1 A 96 96 SER CA C 96 63.668 62.545 1.123 1
1 1151 . 9 1 1 A 96 96 SER HA H 96 3.710 4.231 -0.521 1
1 1152 . 9 1 1 A 96 96 SER CB C 96 62.882 62.940 -0.058 1
1 1155 . 9 1 1 A 96 96 SER C C 96 176.400 176.320 0.080 1
1 1156 . 9 1 1 A 97 97 LEU N N 97 122.701 121.303 1.398 1
1 1157 . 9 1 1 A 97 97 LEU H H 97 8.467 8.116 0.351 1
1 1158 . 9 1 1 A 97 97 LEU CA C 97 58.323 57.974 0.349 1
1 1159 . 9 1 1 A 97 97 LEU HA H 97 3.861 4.052 -0.191 1
1 1160 . 9 1 1 A 97 97 LEU CB C 97 42.995 41.220 1.775 1
1 1173 . 9 1 1 A 97 97 LEU C C 97 178.941 179.314 -0.373 1
1 1174 . 9 1 1 A 98 98 GLU N N 98 119.918 119.487 0.431 1
1 1175 . 9 1 1 A 98 98 GLU H H 98 8.410 8.512 -0.102 1
1 1176 . 9 1 1 A 98 98 GLU CA C 98 59.561 59.508 0.053 1
1 1177 . 9 1 1 A 98 98 GLU HA H 98 3.622 3.921 -0.299 1
1 1178 . 9 1 1 A 98 98 GLU CB C 98 29.142 28.984 0.158 1
1 1184 . 9 1 1 A 98 98 GLU C C 98 179.137 178.985 0.152 1
1 1185 . 9 1 1 A 99 99 ALA N N 99 124.193 122.296 1.897 1
1 1186 . 9 1 1 A 99 99 ALA H H 99 8.197 8.048 0.149 1
1 1187 . 9 1 1 A 99 99 ALA CA C 99 55.016 55.152 -0.136 1
1 1188 . 9 1 1 A 99 99 ALA HA H 99 4.247 4.087 0.160 1
1 1189 . 9 1 1 A 99 99 ALA CB C 99 17.815 18.042 -0.227 1
1 1193 . 9 1 1 A 99 99 ALA C C 99 181.133 179.727 1.406 1
1 1194 . 9 1 1 A 100 100 MET N N 100 122.009 118.578 3.431 1
1 1195 . 9 1 1 A 100 100 MET H H 100 8.482 7.934 0.548 1
1 1196 . 9 1 1 A 100 100 MET CA C 100 59.826 58.216 1.610 1
1 1197 . 9 1 1 A 100 100 MET HA H 100 3.714 3.867 -0.153 1
1 1198 . 9 1 1 A 100 100 MET CB C 100 32.944 32.096 0.848 1
1 1208 . 9 1 1 A 100 100 MET C C 100 176.658 177.739 -1.081 1
1 1209 . 9 1 1 A 101 101 LYS N N 101 120.991 118.630 2.361 1
1 1210 . 9 1 1 A 101 101 LYS H H 101 8.721 7.617 1.104 1
1 1211 . 9 1 1 A 101 101 LYS CA C 101 60.563 58.660 1.903 1
1 1212 . 9 1 1 A 101 101 LYS HA H 101 3.614 3.954 -0.340 1
1 1213 . 9 1 1 A 101 101 LYS CB C 101 30.759 31.899 -1.140 1
1 1225 . 9 1 1 A 101 101 LYS C C 101 177.419 178.290 -0.871 1
1 1226 . 9 1 1 A 102 102 SER N N 102 111.833 114.781 -2.948 1
1 1227 . 9 1 1 A 102 102 SER H H 102 8.005 7.750 0.255 1
1 1228 . 9 1 1 A 102 102 SER CA C 102 61.993 61.745 0.248 1
1 1229 . 9 1 1 A 102 102 SER HA H 102 4.082 4.066 0.016 1
1 1230 . 9 1 1 A 102 102 SER CB C 102 62.863 62.995 -0.132 1
1 1233 . 9 1 1 A 102 102 SER C C 102 176.601 176.866 -0.265 1
1 1234 . 9 1 1 A 103 103 HIS N N 103 121.793 120.741 1.052 1
1 1235 . 9 1 1 A 103 103 HIS H H 103 7.605 7.911 -0.306 1
1 1236 . 9 1 1 A 103 103 HIS CA C 103 62.090 59.898 2.192 1
1 1237 . 9 1 1 A 103 103 HIS HA H 103 4.000 4.229 -0.229 1
1 1238 . 9 1 1 A 103 103 HIS CB C 103 30.652 29.825 0.827 1
1 1245 . 9 1 1 A 103 103 HIS C C 103 179.129 176.625 2.504 1
1 1246 . 9 1 1 A 104 104 CYS N N 104 119.421 116.574 2.847 1
1 1247 . 9 1 1 A 104 104 CYS H H 104 9.261 8.030 1.231 1
1 1248 . 9 1 1 A 104 104 CYS CA C 104 63.841 63.647 0.194 1
1 1249 . 9 1 1 A 104 104 CYS HA H 104 4.105 4.113 -0.008 1
1 1250 . 9 1 1 A 104 104 CYS CB C 104 27.916 27.205 0.711 1
1 1253 . 9 1 1 A 104 104 CYS C C 104 178.176 177.265 0.911 1
1 1254 . 9 1 1 A 105 105 LEU N N 105 117.129 120.370 -3.241 1
1 1255 . 9 1 1 A 105 105 LEU H H 105 8.331 7.933 0.398 1
1 1256 . 9 1 1 A 105 105 LEU CA C 105 57.262 58.048 -0.786 1
1 1257 . 9 1 1 A 105 105 LEU HA H 105 4.245 3.965 0.280 1
1 1258 . 9 1 1 A 105 105 LEU CB C 105 42.030 41.941 0.089 1
1 1271 . 9 1 1 A 105 105 LEU C C 105 180.635 178.995 1.640 1
1 1272 . 9 1 1 A 106 106 LYS N N 106 118.583 116.690 1.893 1
1 1273 . 9 1 1 A 106 106 LYS H H 106 7.638 8.101 -0.463 1
1 1274 . 9 1 1 A 106 106 LYS CA C 106 58.075 60.060 -1.985 1
1 1275 . 9 1 1 A 106 106 LYS HA H 106 4.140 3.872 0.268 1
1 1276 . 9 1 1 A 106 106 LYS CB C 106 33.191 32.174 1.017 1
1 1288 . 9 1 1 A 106 106 LYS C C 106 177.466 179.044 -1.578 1
1 1289 . 9 1 1 A 107 107 ASN N N 107 113.320 114.408 -1.088 1
1 1290 . 9 1 1 A 107 107 ASN H H 107 7.606 7.665 -0.059 1
1 1291 . 9 1 1 A 107 107 ASN CA C 107 53.813 54.654 -0.841 1
1 1292 . 9 1 1 A 107 107 ASN HA H 107 4.841 4.514 0.327 1
1 1293 . 9 1 1 A 107 107 ASN CB C 107 39.785 38.572 1.213 1
1 1299 . 9 1 1 A 107 107 ASN C C 107 174.443 175.764 -1.321 1
1 1300 . 9 1 1 A 108 108 GLY N N 108 109.386 105.102 4.284 1
1 1301 . 9 1 1 A 108 108 GLY H H 108 7.667 7.967 -0.300 1
1 1302 . 9 1 1 A 108 108 GLY CA C 108 47.252 45.290 1.962 1
1 1303 . 9 1 1 A 108 108 GLY HA2 H 108 4.023 4.099 -0.076 1
1 1304 . 9 1 1 A 108 108 GLY HA3 H 108 4.023 4.107 -0.084 1
1 1305 . 9 1 1 A 108 108 GLY C C 108 174.436 174.467 -0.031 1
1 1306 . 9 1 1 A 109 109 VAL N N 109 122.758 120.678 2.080 1
1 1307 . 9 1 1 A 109 109 VAL H H 109 8.480 8.022 0.458 1
1 1308 . 9 1 1 A 109 109 VAL CA C 109 63.788 61.778 2.010 1
1 1309 . 9 1 1 A 109 109 VAL HA H 109 4.094 4.259 -0.165 1
1 1310 . 9 1 1 A 109 109 VAL CB C 109 32.931 31.512 1.419 1
1 1320 . 9 1 1 A 109 109 VAL C C 109 176.089 175.213 0.876 1
1 1321 . 9 1 1 A 110 110 THR N N 110 115.431 123.836 -8.405 1
1 1322 . 9 1 1 A 110 110 THR H H 110 8.995 9.150 -0.155 1
1 1323 . 9 1 1 A 110 110 THR CA C 110 62.045 61.325 0.720 1
1 1324 . 9 1 1 A 110 110 THR HA H 110 4.515 4.639 -0.124 1
1 1325 . 9 1 1 A 110 110 THR CB C 110 70.758 69.599 1.159 1
1 1331 . 9 1 1 A 110 110 THR C C 110 173.700 173.583 0.117 1
1 1332 . 9 1 1 A 111 111 ASP N N 111 123.757 119.929 3.828 1
1 1333 . 9 1 1 A 111 111 ASP H H 111 8.123 7.886 0.237 1
1 1334 . 9 1 1 A 111 111 ASP CA C 111 54.747 53.698 1.049 1
1 1335 . 9 1 1 A 111 111 ASP HA H 111 5.527 5.295 0.232 1
1 1336 . 9 1 1 A 111 111 ASP CB C 111 43.928 43.720 0.208 1
1 1339 . 9 1 1 A 111 111 ASP C C 111 172.807 174.093 -1.286 1
1 1340 . 9 1 1 A 112 112 LEU N N 112 123.145 125.177 -2.032 1
1 1341 . 9 1 1 A 112 112 LEU H H 112 8.671 9.076 -0.405 1
1 1342 . 9 1 1 A 112 112 LEU CA C 112 52.953 53.776 -0.823 1
1 1343 . 9 1 1 A 112 112 LEU HA H 112 5.213 5.226 -0.013 1
1 1344 . 9 1 1 A 112 112 LEU CB C 112 47.875 46.842 1.033 1
1 1357 . 9 1 1 A 112 112 LEU C C 112 176.803 174.814 1.989 1
1 1358 . 9 1 1 A 113 113 SER N N 113 122.973 117.977 4.996 1
1 1359 . 9 1 1 A 113 113 SER H H 113 9.473 8.613 0.860 1
1 1360 . 9 1 1 A 113 113 SER CA C 113 59.207 57.199 2.008 1
1 1361 . 9 1 1 A 113 113 SER HA H 113 6.070 5.573 0.497 1
1 1362 . 9 1 1 A 113 113 SER CB C 113 67.023 66.420 0.603 1
1 1365 . 9 1 1 A 113 113 SER C C 113 172.066 173.334 -1.268 1
1 1366 . 9 1 1 A 114 114 MET N N 114 118.476 119.404 -0.928 1
1 1367 . 9 1 1 A 114 114 MET H H 114 9.080 8.935 0.145 1
1 1368 . 9 1 1 A 114 114 MET CA C 114 54.007 53.461 0.546 1
1 1369 . 9 1 1 A 114 114 MET HA H 114 5.435 5.073 0.362 1
1 1370 . 9 1 1 A 114 114 MET CB C 114 34.867 35.731 -0.864 1
1 1380 . 9 1 1 A 114 114 MET C C 114 172.934 174.163 -1.229 1
1 1381 . 9 1 1 A 115 115 PRO CA C 115 62.262 62.225 0.037 1
1 1382 . 9 1 1 A 115 115 PRO HA H 115 5.593 4.637 0.956 1
1 1383 . 9 1 1 A 115 115 PRO CB C 115 32.748 33.191 -0.443 1
1 1392 . 9 1 1 A 115 115 PRO C C 115 175.547 175.837 -0.290 1
1 1393 . 9 1 1 A 116 116 ARG N N 116 116.821 120.739 -3.918 1
1 1394 . 9 1 1 A 116 116 ARG H H 116 8.348 8.369 -0.021 1
1 1395 . 9 1 1 A 116 116 ARG CA C 116 55.785 55.911 -0.126 1
1 1396 . 9 1 1 A 116 116 ARG HA H 116 3.896 4.012 -0.116 1
1 1397 . 9 1 1 A 116 116 ARG CB C 116 27.344 30.400 -3.056 1
1 1406 . 9 1 1 A 116 116 ARG C C 116 176.796 176.070 0.726 1
1 1407 . 9 1 1 A 117 117 ILE N N 117 122.887 119.281 3.606 1
1 1408 . 9 1 1 A 117 117 ILE H H 117 7.989 8.315 -0.326 1
1 1409 . 9 1 1 A 117 117 ILE CA C 117 63.148 59.141 4.007 1
1 1410 . 9 1 1 A 117 117 ILE HA H 117 4.028 4.739 -0.711 1
1 1411 . 9 1 1 A 117 117 ILE CB C 117 40.010 40.919 -0.909 1
1 1424 . 9 1 1 A 117 117 ILE C C 117 174.324 175.926 -1.602 1
1 1425 . 9 1 1 A 118 118 GLY N N 118 107.320 113.119 -5.799 1
1 1426 . 9 1 1 A 118 118 GLY H H 118 8.662 9.045 -0.383 1
1 1427 . 9 1 1 A 118 118 GLY CA C 118 45.752 47.154 -1.402 1
1 1428 . 9 1 1 A 118 118 GLY HA2 H 118 3.693 3.962 -0.269 1
1 1429 . 9 1 1 A 118 118 GLY HA3 H 118 4.226 4.015 0.211 1
1 1430 . 9 1 1 A 118 118 GLY C C 118 172.861 174.678 -1.817 1
1 1431 . 9 1 1 A 119 119 CYS N N 119 115.336 118.090 -2.754 1
1 1432 . 9 1 1 A 119 119 CYS H H 119 7.445 7.824 -0.379 1
1 1433 . 9 1 1 A 119 119 CYS CA C 119 58.753 58.677 0.076 1
1 1434 . 9 1 1 A 119 119 CYS HA H 119 4.831 4.585 0.246 1
1 1435 . 9 1 1 A 119 119 CYS CB C 119 28.840 29.297 -0.457 1
1 1438 . 9 1 1 A 121 121 LEU CA C 121 57.692 58.440 -0.748 1
1 1439 . 9 1 1 A 121 121 LEU HA H 121 4.152 3.941 0.211 1
1 1440 . 9 1 1 A 121 121 LEU CB C 121 41.644 41.882 -0.238 1
1 1453 . 9 1 1 A 123 123 ARG N N 123 107.909 121.238 -13.329 1
1 1454 . 9 1 1 A 123 123 ARG H H 123 7.536 8.804 -1.268 1
1 1455 . 9 1 1 A 123 123 ARG CA C 123 57.775 59.277 -1.502 1
1 1456 . 9 1 1 A 123 123 ARG HA H 123 3.989 3.916 0.073 1
1 1457 . 9 1 1 A 123 123 ARG CB C 123 28.219 29.996 -1.777 1
1 1466 . 9 1 1 A 123 123 ARG C C 123 176.088 177.471 -1.383 1
1 1467 . 9 1 1 A 124 124 LEU N N 124 118.876 120.526 -1.650 1
1 1468 . 9 1 1 A 124 124 LEU H H 124 8.401 7.779 0.622 1
1 1469 . 9 1 1 A 124 124 LEU CA C 124 54.573 55.281 -0.708 1
1 1470 . 9 1 1 A 124 124 LEU HA H 124 4.533 4.355 0.178 1
1 1471 . 9 1 1 A 124 124 LEU CB C 124 39.785 42.257 -2.472 1
1 1484 . 9 1 1 A 124 124 LEU C C 124 175.551 175.902 -0.351 1
1 1485 . 9 1 1 A 125 125 GLN N N 125 116.713 118.757 -2.044 1
1 1486 . 9 1 1 A 125 125 GLN H H 125 7.779 8.949 -1.170 1
1 1487 . 9 1 1 A 125 125 GLN CA C 125 54.609 54.355 0.254 1
1 1488 . 9 1 1 A 125 125 GLN HA H 125 4.794 5.067 -0.273 1
1 1489 . 9 1 1 A 125 125 GLN CB C 125 30.327 32.104 -1.777 1
1 1498 . 9 1 1 A 125 125 GLN C C 125 177.722 176.038 1.684 1
1 1499 . 9 1 1 A 126 126 TRP N N 126 128.887 126.673 2.214 1
1 1500 . 9 1 1 A 126 126 TRP H H 126 9.755 8.841 0.914 1
1 1501 . 9 1 1 A 126 126 TRP CA C 126 59.962 61.005 -1.043 1
1 1502 . 9 1 1 A 126 126 TRP HA H 126 4.545 4.313 0.232 1
1 1503 . 9 1 1 A 126 126 TRP CB C 126 30.009 29.887 0.122 1
1 1518 . 9 1 1 A 126 126 TRP C C 126 177.057 178.149 -1.092 1
1 1519 . 9 1 1 A 127 127 GLU N N 127 119.568 119.194 0.374 1
1 1520 . 9 1 1 A 127 127 GLU H H 127 9.946 8.469 1.477 1
1 1521 . 9 1 1 A 127 127 GLU CA C 127 60.623 59.931 0.692 1
1 1522 . 9 1 1 A 127 127 GLU HA H 127 3.780 3.844 -0.064 1
1 1523 . 9 1 1 A 127 127 GLU CB C 127 28.594 29.192 -0.598 1
1 1529 . 9 1 1 A 127 127 GLU C C 127 177.905 179.049 -1.144 1
1 1530 . 9 1 1 A 128 128 ASN N N 128 115.229 118.615 -3.386 1
1 1531 . 9 1 1 A 128 128 ASN H H 128 7.159 8.204 -1.045 1
1 1532 . 9 1 1 A 128 128 ASN CA C 128 55.370 55.871 -0.501 1
1 1533 . 9 1 1 A 128 128 ASN HA H 128 4.446 4.329 0.117 1
1 1534 . 9 1 1 A 128 128 ASN CB C 128 38.522 38.296 0.226 1
1 1540 . 9 1 1 A 128 128 ASN C C 128 177.374 177.681 -0.307 1
1 1541 . 9 1 1 A 129 129 VAL N N 129 122.487 119.824 2.663 1
1 1542 . 9 1 1 A 129 129 VAL H H 129 8.033 7.537 0.496 1
1 1543 . 9 1 1 A 129 129 VAL CA C 129 67.289 66.841 0.448 1
1 1544 . 9 1 1 A 129 129 VAL HA H 129 3.489 3.503 -0.014 1
1 1545 . 9 1 1 A 129 129 VAL CB C 129 31.824 31.517 0.307 1
1 1555 . 9 1 1 A 129 129 VAL C C 129 177.209 177.701 -0.492 1
1 1556 . 9 1 1 A 130 130 SER N N 130 115.189 113.522 1.667 1
1 1557 . 9 1 1 A 130 130 SER H H 130 8.550 7.842 0.708 1
1 1558 . 9 1 1 A 130 130 SER CA C 130 61.477 60.646 0.831 1
1 1559 . 9 1 1 A 130 130 SER HA H 130 3.151 3.676 -0.525 1
1 1560 . 9 1 1 A 130 130 SER CB C 130 61.348 61.724 -0.376 1
1 1563 . 9 1 1 A 130 130 SER C C 130 175.971 176.731 -0.760 1
1 1564 . 9 1 1 A 131 131 ALA N N 131 123.596 123.868 -0.272 1
1 1565 . 9 1 1 A 131 131 ALA H H 131 6.551 7.628 -1.077 1
1 1566 . 9 1 1 A 131 131 ALA CA C 131 54.947 55.115 -0.168 1
1 1567 . 9 1 1 A 131 131 ALA HA H 131 4.079 3.923 0.156 1
1 1568 . 9 1 1 A 131 131 ALA CB C 131 18.023 17.914 0.109 1
1 1572 . 9 1 1 A 131 131 ALA C C 131 179.947 180.069 -0.122 1
1 1573 . 9 1 1 A 132 132 MET N N 132 119.410 116.302 3.108 1
1 1574 . 9 1 1 A 132 132 MET H H 132 7.442 8.035 -0.593 1
1 1575 . 9 1 1 A 132 132 MET CA C 132 58.917 58.482 0.435 1
1 1576 . 9 1 1 A 132 132 MET HA H 132 4.118 4.133 -0.015 1
1 1577 . 9 1 1 A 132 132 MET CB C 132 33.984 32.624 1.360 1
1 1587 . 9 1 1 A 132 132 MET C C 132 178.019 178.956 -0.937 1
1 1588 . 9 1 1 A 133 133 ILE N N 133 120.265 119.560 0.705 1
1 1589 . 9 1 1 A 133 133 ILE H H 133 8.554 7.910 0.644 1
1 1590 . 9 1 1 A 133 133 ILE CA C 133 66.859 64.957 1.902 1
1 1591 . 9 1 1 A 133 133 ILE HA H 133 3.470 3.744 -0.274 1
1 1592 . 9 1 1 A 133 133 ILE CB C 133 38.240 37.022 1.218 1
1 1605 . 9 1 1 A 133 133 ILE C C 133 177.949 178.724 -0.775 1
1 1606 . 9 1 1 A 134 134 GLU N N 134 117.011 121.800 -4.789 1
1 1607 . 9 1 1 A 134 134 GLU H H 134 8.106 8.146 -0.040 1
1 1608 . 9 1 1 A 134 134 GLU CA C 134 59.844 59.616 0.228 1
1 1609 . 9 1 1 A 134 134 GLU HA H 134 3.919 4.083 -0.164 1
1 1610 . 9 1 1 A 134 134 GLU CB C 134 29.024 29.813 -0.789 1
1 1616 . 9 1 1 A 134 134 GLU C C 134 178.982 179.376 -0.394 1
1 1617 . 9 1 1 A 135 135 GLU N N 135 118.619 118.617 0.002 1
1 1618 . 9 1 1 A 135 135 GLU H H 135 7.848 8.341 -0.493 1
1 1619 . 9 1 1 A 135 135 GLU CA C 135 59.438 59.297 0.141 1
1 1620 . 9 1 1 A 135 135 GLU HA H 135 4.090 4.093 -0.003 1
1 1621 . 9 1 1 A 135 135 GLU CB C 135 29.948 28.524 1.424 1
1 1627 . 9 1 1 A 135 135 GLU C C 135 179.547 178.802 0.745 1
1 1628 . 9 1 1 A 136 136 VAL N N 136 119.915 121.240 -1.325 1
1 1629 . 9 1 1 A 136 136 VAL H H 136 8.793 7.748 1.045 1
1 1630 . 9 1 1 A 136 136 VAL CA C 136 66.122 66.128 -0.006 1
1 1631 . 9 1 1 A 136 136 VAL HA H 136 3.578 3.693 -0.115 1
1 1632 . 9 1 1 A 136 136 VAL CB C 136 31.990 31.987 0.003 1
1 1642 . 9 1 1 A 136 136 VAL C C 136 177.646 177.763 -0.117 1
1 1643 . 9 1 1 A 137 137 PHE N N 137 111.913 117.768 -5.855 1
1 1644 . 9 1 1 A 137 137 PHE H H 137 8.009 8.139 -0.130 1
1 1645 . 9 1 1 A 137 137 PHE CA C 137 59.545 60.419 -0.874 1
1 1646 . 9 1 1 A 137 137 PHE HA H 137 4.197 4.436 -0.239 1
1 1647 . 9 1 1 A 137 137 PHE CB C 137 38.105 37.801 0.304 1
1 1660 . 9 1 1 A 138 138 GLU N N 138 123.997 119.208 4.789 1
1 1661 . 9 1 1 A 138 138 GLU H H 138 7.268 8.362 -1.094 1
1 1662 . 9 1 1 A 138 138 GLU CA C 138 59.222 58.807 0.415 1
1 1663 . 9 1 1 A 138 138 GLU HA H 138 4.161 4.158 0.003 1
1 1664 . 9 1 1 A 138 138 GLU CB C 138 29.644 28.982 0.662 1
1 1670 . 9 1 1 A 139 139 ALA N N 139 121.713 120.691 1.022 1
1 1671 . 9 1 1 A 139 139 ALA H H 139 8.830 7.774 1.056 1
1 1672 . 9 1 1 A 139 139 ALA CA C 139 52.894 51.170 1.724 1
1 1673 . 9 1 1 A 139 139 ALA HA H 139 4.334 4.450 -0.116 1
1 1674 . 9 1 1 A 139 139 ALA CB C 139 17.362 18.870 -1.508 1
1 1678 . 9 1 1 A 139 139 ALA C C 139 176.943 176.010 0.933 1
1 1679 . 9 1 1 A 140 140 THR N N 140 107.901 109.416 -1.515 1
1 1680 . 9 1 1 A 140 140 THR H H 140 7.809 7.637 0.172 1
1 1681 . 9 1 1 A 140 140 THR CA C 140 61.013 59.855 1.158 1
1 1682 . 9 1 1 A 140 140 THR HA H 140 4.164 4.835 -0.671 1
1 1683 . 9 1 1 A 140 140 THR CB C 140 72.698 72.472 0.226 1
1 1689 . 9 1 1 A 140 140 THR C C 140 174.222 173.295 0.927 1
1 1690 . 9 1 1 A 141 141 ASP N N 141 120.212 118.460 1.752 1
1 1691 . 9 1 1 A 141 141 ASP H H 141 8.959 8.500 0.459 1
1 1692 . 9 1 1 A 141 141 ASP CA C 141 53.333 53.748 -0.415 1
1 1693 . 9 1 1 A 141 141 ASP HA H 141 4.991 4.976 0.015 1
1 1694 . 9 1 1 A 141 141 ASP CB C 141 40.660 41.564 -0.904 1
1 1697 . 9 1 1 A 141 141 ASP C C 141 175.403 174.382 1.021 1
1 1698 . 9 1 1 A 142 142 ILE N N 142 120.815 120.835 -0.020 1
1 1699 . 9 1 1 A 142 142 ILE H H 142 7.444 7.685 -0.241 1
1 1700 . 9 1 1 A 142 142 ILE CA C 142 62.338 59.564 2.774 1
1 1701 . 9 1 1 A 142 142 ILE HA H 142 4.131 4.808 -0.677 1
1 1702 . 9 1 1 A 142 142 ILE CB C 142 38.703 41.656 -2.953 1
1 1715 . 9 1 1 A 142 142 ILE C C 142 175.399 175.247 0.152 1
1 1716 . 9 1 1 A 143 143 LYS N N 143 129.106 123.743 5.363 1
1 1717 . 9 1 1 A 143 143 LYS H H 143 8.588 8.922 -0.334 1
1 1718 . 9 1 1 A 143 143 LYS CA C 143 55.725 54.793 0.932 1
1 1719 . 9 1 1 A 143 143 LYS HA H 143 4.444 5.048 -0.604 1
1 1720 . 9 1 1 A 143 143 LYS CB C 143 33.768 35.482 -1.714 1
1 1732 . 9 1 1 A 143 143 LYS C C 143 174.820 175.178 -0.358 1
1 1733 . 9 1 1 A 144 144 ILE N N 144 122.496 124.350 -1.854 1
1 1734 . 9 1 1 A 144 144 ILE H H 144 7.884 8.892 -1.008 1
1 1735 . 9 1 1 A 144 144 ILE CA C 144 59.861 59.752 0.109 1
1 1736 . 9 1 1 A 144 144 ILE HA H 144 4.937 5.163 -0.226 1
1 1737 . 9 1 1 A 144 144 ILE CB C 144 40.518 40.252 0.266 1
1 1750 . 9 1 1 A 144 144 ILE C C 144 175.232 174.916 0.316 1
1 1751 . 9 1 1 A 145 145 THR N N 145 126.667 122.623 4.044 1
1 1752 . 9 1 1 A 145 145 THR H H 145 9.100 8.582 0.518 1
1 1753 . 9 1 1 A 145 145 THR CA C 145 61.374 61.513 -0.139 1
1 1754 . 9 1 1 A 145 145 THR HA H 145 4.992 5.095 -0.103 1
1 1755 . 9 1 1 A 145 145 THR CB C 145 68.907 71.944 -3.037 1
1 1761 . 9 1 1 A 145 145 THR C C 145 173.158 173.605 -0.447 1
1 1762 . 9 1 1 A 146 146 VAL N N 146 127.717 125.119 2.598 1
1 1763 . 9 1 1 A 146 146 VAL H H 146 8.818 8.988 -0.170 1
1 1764 . 9 1 1 A 146 146 VAL CA C 146 59.930 61.326 -1.396 1
1 1765 . 9 1 1 A 146 146 VAL HA H 146 5.053 5.057 -0.004 1
1 1766 . 9 1 1 A 146 146 VAL CB C 146 32.906 34.027 -1.121 1
1 1776 . 9 1 1 A 146 146 VAL C C 146 175.653 174.741 0.912 1
1 1777 . 9 1 1 A 147 147 TYR N N 147 129.304 126.303 3.001 1
1 1778 . 9 1 1 A 147 147 TYR H H 147 8.926 8.880 0.046 1
1 1779 . 9 1 1 A 147 147 TYR CA C 147 57.290 57.038 0.252 1
1 1780 . 9 1 1 A 147 147 TYR HA H 147 5.283 5.259 0.024 1
1 1781 . 9 1 1 A 147 147 TYR CB C 147 40.422 40.005 0.417 1
1 1792 . 9 1 1 A 147 147 TYR C C 147 177.250 175.258 1.992 1
1 1793 . 9 1 1 A 148 148 THR N N 148 116.883 114.197 2.686 1
1 1794 . 9 1 1 A 148 148 THR H H 148 8.607 9.419 -0.812 1
1 1795 . 9 1 1 A 148 148 THR CA C 148 61.560 60.449 1.111 1
1 1796 . 9 1 1 A 148 148 THR HA H 148 4.431 5.216 -0.785 1
1 1797 . 9 1 1 A 148 148 THR CB C 148 70.966 70.433 0.533 1
1 1803 . 9 1 1 A 148 148 THR C C 148 172.797 173.609 -0.812 1
1 1 . 10 1 1 A 5 5 SER CA C 5 58.376 58.364 0.012 1
1 2 . 10 1 1 A 5 5 SER HA H 5 4.528 4.659 -0.131 1
1 3 . 10 1 1 A 5 5 SER CB C 5 63.813 63.839 -0.026 1
1 5 . 10 1 1 A 5 5 SER C C 5 174.968 173.473 1.495 1
1 6 . 10 1 1 A 6 6 SER N N 6 117.996 122.956 -4.960 1
1 7 . 10 1 1 A 6 6 SER H H 6 8.503 8.858 -0.355 1
1 8 . 10 1 1 A 6 6 SER CA C 6 58.642 57.322 1.320 1
1 9 . 10 1 1 A 6 6 SER HA H 6 4.526 4.814 -0.288 1
1 10 . 10 1 1 A 6 6 SER CB C 6 63.855 64.400 -0.545 1
1 13 . 10 1 1 A 6 6 SER C C 6 175.129 174.103 1.026 1
1 14 . 10 1 1 A 7 7 GLY N N 7 110.904 114.977 -4.073 1
1 15 . 10 1 1 A 7 7 GLY H H 7 8.470 8.794 -0.324 1
1 16 . 10 1 1 A 7 7 GLY CA C 7 45.430 46.768 -1.338 1
1 17 . 10 1 1 A 7 7 GLY HA2 H 7 4.030 3.910 0.120 1
1 18 . 10 1 1 A 7 7 GLY HA3 H 7 4.030 3.913 0.117 1
1 19 . 10 1 1 A 7 7 GLY C C 7 174.606 174.666 -0.060 1
1 20 . 10 1 1 A 8 8 GLY N N 8 108.942 106.586 2.356 1
1 21 . 10 1 1 A 8 8 GLY H H 8 8.286 8.270 0.016 1
1 22 . 10 1 1 A 8 8 GLY CA C 8 45.058 45.962 -0.904 1
1 23 . 10 1 1 A 8 8 GLY HA2 H 8 4.027 4.085 -0.058 1
1 24 . 10 1 1 A 8 8 GLY HA3 H 8 4.199 4.087 0.112 1
1 25 . 10 1 1 A 8 8 GLY C C 8 173.943 174.117 -0.174 1
1 26 . 10 1 1 A 9 9 SER N N 9 115.435 112.619 2.816 1
1 27 . 10 1 1 A 9 9 SER H H 9 8.275 7.779 0.496 1
1 28 . 10 1 1 A 9 9 SER CA C 9 57.847 56.577 1.270 1
1 29 . 10 1 1 A 9 9 SER HA H 9 4.616 4.727 -0.111 1
1 30 . 10 1 1 A 9 9 SER CB C 9 64.102 65.288 -1.186 1
1 33 . 10 1 1 A 9 9 SER C C 9 174.962 174.635 0.327 1
1 34 . 10 1 1 A 10 10 ARG N N 10 126.156 124.760 1.396 1
1 35 . 10 1 1 A 10 10 ARG H H 10 9.427 8.766 0.661 1
1 36 . 10 1 1 A 10 10 ARG CA C 10 56.662 59.374 -2.712 1
1 37 . 10 1 1 A 10 10 ARG HA H 10 4.332 3.971 0.361 1
1 38 . 10 1 1 A 10 10 ARG CB C 10 30.289 29.887 0.402 1
1 49 . 10 1 1 A 10 10 ARG C C 10 175.504 177.144 -1.640 1
1 50 . 10 1 1 A 11 11 ILE N N 11 119.127 120.357 -1.230 1
1 51 . 10 1 1 A 11 11 ILE H H 11 8.176 7.687 0.489 1
1 52 . 10 1 1 A 11 11 ILE CA C 11 61.153 61.868 -0.715 1
1 53 . 10 1 1 A 11 11 ILE HA H 11 4.553 3.943 0.610 1
1 54 . 10 1 1 A 11 11 ILE CB C 11 39.949 37.566 2.383 1
1 67 . 10 1 1 A 11 11 ILE C C 11 176.134 175.359 0.775 1
1 68 . 10 1 1 A 12 12 THR N N 12 124.682 123.439 1.243 1
1 69 . 10 1 1 A 12 12 THR H H 12 8.534 8.421 0.113 1
1 70 . 10 1 1 A 12 12 THR CA C 12 61.630 61.114 0.516 1
1 71 . 10 1 1 A 12 12 THR HA H 12 4.359 4.788 -0.429 1
1 72 . 10 1 1 A 12 12 THR CB C 12 70.705 71.069 -0.364 1
1 78 . 10 1 1 A 12 12 THR C C 12 171.804 173.210 -1.406 1
1 79 . 10 1 1 A 13 13 TYR N N 13 124.043 126.227 -2.184 1
1 80 . 10 1 1 A 13 13 TYR H H 13 8.691 8.648 0.043 1
1 81 . 10 1 1 A 13 13 TYR CA C 13 57.846 57.293 0.553 1
1 82 . 10 1 1 A 13 13 TYR HA H 13 5.099 5.193 -0.094 1
1 83 . 10 1 1 A 13 13 TYR CB C 13 39.895 39.860 0.035 1
1 94 . 10 1 1 A 13 13 TYR C C 13 175.924 175.791 0.133 1
1 95 . 10 1 1 A 14 14 VAL N N 14 124.012 122.417 1.595 1
1 96 . 10 1 1 A 14 14 VAL H H 14 8.633 8.979 -0.346 1
1 97 . 10 1 1 A 14 14 VAL CA C 14 60.958 59.561 1.397 1
1 98 . 10 1 1 A 14 14 VAL HA H 14 4.015 4.662 -0.647 1
1 99 . 10 1 1 A 14 14 VAL CB C 14 35.416 35.093 0.323 1
1 109 . 10 1 1 A 14 14 VAL C C 14 173.974 173.640 0.334 1
1 110 . 10 1 1 A 15 15 LYS N N 15 127.960 126.593 1.367 1
1 111 . 10 1 1 A 15 15 LYS H H 15 8.318 8.810 -0.492 1
1 112 . 10 1 1 A 15 15 LYS CA C 15 54.152 54.963 -0.811 1
1 113 . 10 1 1 A 15 15 LYS HA H 15 5.126 5.375 -0.249 1
1 114 . 10 1 1 A 15 15 LYS CB C 15 32.086 34.399 -2.313 1
1 126 . 10 1 1 A 15 15 LYS C C 15 176.050 175.435 0.615 1
1 127 . 10 1 1 A 16 16 GLY N N 16 114.545 112.551 1.994 1
1 128 . 10 1 1 A 16 16 GLY H H 16 8.508 8.217 0.291 1
1 129 . 10 1 1 A 16 16 GLY CA C 16 45.006 44.277 0.729 1
1 130 . 10 1 1 A 16 16 GLY HA2 H 16 4.028 4.131 -0.103 1
1 131 . 10 1 1 A 16 16 GLY HA3 H 16 4.197 4.177 0.020 1
1 132 . 10 1 1 A 16 16 GLY C C 16 170.957 172.356 -1.399 1
1 133 . 10 1 1 A 17 17 ASP N N 17 119.423 121.959 -2.536 1
1 134 . 10 1 1 A 17 17 ASP H H 17 8.271 8.553 -0.282 1
1 135 . 10 1 1 A 17 17 ASP CA C 17 53.164 54.770 -1.606 1
1 136 . 10 1 1 A 17 17 ASP HA H 17 4.407 4.504 -0.097 1
1 137 . 10 1 1 A 17 17 ASP CB C 17 41.912 41.826 0.086 1
1 140 . 10 1 1 A 17 17 ASP C C 17 176.089 175.878 0.211 1
1 141 . 10 1 1 A 18 18 LEU N N 18 130.056 124.162 5.894 1
1 142 . 10 1 1 A 18 18 LEU H H 18 8.304 8.470 -0.166 1
1 143 . 10 1 1 A 18 18 LEU CA C 18 57.156 55.208 1.948 1
1 144 . 10 1 1 A 18 18 LEU HA H 18 2.425 3.974 -1.549 1
1 145 . 10 1 1 A 18 18 LEU CB C 18 42.959 44.005 -1.046 1
1 158 . 10 1 1 A 18 18 LEU C C 18 175.737 177.889 -2.152 1
1 159 . 10 1 1 A 19 19 PHE N N 19 109.678 116.820 -7.142 1
1 160 . 10 1 1 A 19 19 PHE H H 19 7.461 7.326 0.135 1
1 161 . 10 1 1 A 19 19 PHE CA C 19 59.844 58.867 0.977 1
1 162 . 10 1 1 A 19 19 PHE HA H 19 3.920 4.506 -0.586 1
1 163 . 10 1 1 A 19 19 PHE CB C 19 36.735 40.739 -4.004 1
1 176 . 10 1 1 A 19 19 PHE C C 19 175.833 177.049 -1.216 1
1 177 . 10 1 1 A 20 20 ALA N N 20 123.506 121.937 1.569 1
1 178 . 10 1 1 A 20 20 ALA H H 20 7.752 8.032 -0.280 1
1 179 . 10 1 1 A 20 20 ALA CA C 20 51.160 54.623 -3.463 1
1 180 . 10 1 1 A 20 20 ALA HA H 20 4.518 4.215 0.303 1
1 181 . 10 1 1 A 20 20 ALA CB C 20 18.395 18.537 -0.142 1
1 185 . 10 1 1 A 20 20 ALA C C 20 176.772 179.553 -2.781 1
1 186 . 10 1 1 A 21 21 CYS N N 21 118.823 116.948 1.875 1
1 187 . 10 1 1 A 21 21 CYS H H 21 7.225 8.117 -0.892 1
1 188 . 10 1 1 A 21 21 CYS CA C 21 56.813 63.476 -6.663 1
1 189 . 10 1 1 A 21 21 CYS HA H 21 4.580 4.163 0.417 1
1 190 . 10 1 1 A 21 21 CYS CB C 21 25.916 27.260 -1.344 1
1 193 . 10 1 1 A 21 21 CYS C C 21 170.919 175.129 -4.210 1
1 194 . 10 1 1 A 22 22 PRO CA C 22 64.000 62.522 1.478 1
1 195 . 10 1 1 A 22 22 PRO HA H 22 4.373 4.426 -0.053 1
1 196 . 10 1 1 A 22 22 PRO CB C 22 31.802 33.373 -1.571 1
1 205 . 10 1 1 A 22 22 PRO C C 22 178.609 176.157 2.452 1
1 206 . 10 1 1 A 23 23 LYS N N 23 122.870 120.338 2.532 1
1 207 . 10 1 1 A 23 23 LYS H H 23 8.785 8.378 0.407 1
1 208 . 10 1 1 A 23 23 LYS CA C 23 58.671 57.254 1.417 1
1 209 . 10 1 1 A 23 23 LYS HA H 23 4.103 4.465 -0.362 1
1 210 . 10 1 1 A 23 23 LYS CB C 23 32.078 35.420 -3.342 1
1 222 . 10 1 1 A 23 23 LYS C C 23 175.722 177.600 -1.878 1
1 223 . 10 1 1 A 24 24 THR N N 24 102.744 106.348 -3.604 1
1 224 . 10 1 1 A 24 24 THR H H 24 7.097 7.511 -0.414 1
1 225 . 10 1 1 A 24 24 THR CA C 24 61.064 61.620 -0.556 1
1 226 . 10 1 1 A 24 24 THR HA H 24 4.166 4.567 -0.401 1
1 227 . 10 1 1 A 24 24 THR CB C 24 68.805 70.618 -1.813 1
1 233 . 10 1 1 A 24 24 THR C C 24 176.216 174.588 1.628 1
1 234 . 10 1 1 A 25 25 ASP N N 25 125.303 124.674 0.629 1
1 235 . 10 1 1 A 25 25 ASP H H 25 7.768 7.688 0.080 1
1 236 . 10 1 1 A 25 25 ASP CA C 25 55.246 55.359 -0.113 1
1 237 . 10 1 1 A 25 25 ASP HA H 25 4.536 4.747 -0.211 1
1 238 . 10 1 1 A 25 25 ASP CB C 25 40.321 40.989 -0.668 1
1 241 . 10 1 1 A 25 25 ASP C C 25 177.718 175.951 1.767 1
1 242 . 10 1 1 A 26 26 SER N N 26 118.303 118.392 -0.089 1
1 243 . 10 1 1 A 26 26 SER H H 26 8.472 8.271 0.201 1
1 244 . 10 1 1 A 26 26 SER CA C 26 61.547 58.489 3.058 1
1 245 . 10 1 1 A 26 26 SER HA H 26 5.138 4.574 0.564 1
1 246 . 10 1 1 A 26 26 SER CB C 26 65.326 64.325 1.001 1
1 249 . 10 1 1 A 26 26 SER C C 26 172.446 173.670 -1.224 1
1 250 . 10 1 1 A 27 27 LEU N N 27 121.957 122.004 -0.047 1
1 251 . 10 1 1 A 27 27 LEU H H 27 8.553 8.129 0.424 1
1 252 . 10 1 1 A 27 27 LEU CA C 27 53.919 53.395 0.524 1
1 253 . 10 1 1 A 27 27 LEU HA H 27 6.004 5.706 0.298 1
1 254 . 10 1 1 A 27 27 LEU CB C 27 48.728 46.240 2.488 1
1 267 . 10 1 1 A 27 27 LEU C C 27 176.071 175.812 0.259 1
1 268 . 10 1 1 A 28 28 ALA N N 28 119.120 121.588 -2.468 1
1 269 . 10 1 1 A 28 28 ALA H H 28 8.083 8.317 -0.234 1
1 270 . 10 1 1 A 28 28 ALA CA C 28 50.738 51.742 -1.004 1
1 271 . 10 1 1 A 28 28 ALA HA H 28 5.833 5.427 0.406 1
1 272 . 10 1 1 A 28 28 ALA CB C 28 24.493 22.560 1.933 1
1 276 . 10 1 1 A 28 28 ALA C C 28 174.396 175.409 -1.013 1
1 277 . 10 1 1 A 29 29 HIS N N 29 111.296 121.032 -9.736 1
1 278 . 10 1 1 A 29 29 HIS H H 29 8.042 8.149 -0.107 1
1 279 . 10 1 1 A 29 29 HIS CA C 29 55.617 55.689 -0.072 1
1 280 . 10 1 1 A 29 29 HIS HA H 29 4.552 4.833 -0.281 1
1 281 . 10 1 1 A 29 29 HIS CB C 29 31.644 31.976 -0.332 1
1 288 . 10 1 1 A 29 29 HIS C C 29 172.453 173.114 -0.661 1
1 289 . 10 1 1 A 30 30 CYS N N 30 115.842 119.818 -3.976 1
1 290 . 10 1 1 A 30 30 CYS H H 30 8.182 8.072 0.110 1
1 291 . 10 1 1 A 30 30 CYS CA C 30 57.610 57.128 0.482 1
1 292 . 10 1 1 A 30 30 CYS HA H 30 5.489 5.374 0.115 1
1 293 . 10 1 1 A 30 30 CYS CB C 30 30.518 29.301 1.217 1
1 296 . 10 1 1 A 30 30 CYS C C 30 175.085 174.235 0.850 1
1 297 . 10 1 1 A 31 31 ILE N N 31 117.447 121.958 -4.511 1
1 298 . 10 1 1 A 31 31 ILE H H 31 9.209 9.090 0.119 1
1 299 . 10 1 1 A 31 31 ILE CA C 31 60.057 58.836 1.221 1
1 300 . 10 1 1 A 31 31 ILE HA H 31 4.816 5.138 -0.322 1
1 301 . 10 1 1 A 31 31 ILE CB C 31 43.206 42.419 0.787 1
1 314 . 10 1 1 A 31 31 ILE C C 31 173.249 175.463 -2.214 1
1 315 . 10 1 1 A 32 32 SER N N 32 111.596 116.508 -4.912 1
1 316 . 10 1 1 A 32 32 SER H H 32 7.858 8.444 -0.586 1
1 317 . 10 1 1 A 32 32 SER CA C 32 55.599 56.616 -1.017 1
1 318 . 10 1 1 A 32 32 SER HA H 32 5.139 5.082 0.057 1
1 319 . 10 1 1 A 32 32 SER CB C 32 66.377 66.495 -0.118 1
1 322 . 10 1 1 A 32 32 SER C C 32 176.120 175.681 0.439 1
1 323 . 10 1 1 A 33 33 GLU N N 33 118.525 120.499 -1.974 1
1 324 . 10 1 1 A 33 33 GLU H H 33 8.189 8.495 -0.306 1
1 325 . 10 1 1 A 33 33 GLU CA C 33 59.273 59.812 -0.539 1
1 326 . 10 1 1 A 33 33 GLU HA H 33 3.759 4.014 -0.255 1
1 327 . 10 1 1 A 33 33 GLU CB C 33 30.553 29.616 0.937 1
1 333 . 10 1 1 A 33 33 GLU C C 33 177.446 178.025 -0.579 1
1 334 . 10 1 1 A 34 34 ASP N N 34 113.498 119.171 -5.673 1
1 335 . 10 1 1 A 34 34 ASP H H 34 7.480 7.992 -0.512 1
1 336 . 10 1 1 A 34 34 ASP CA C 34 54.511 56.209 -1.698 1
1 337 . 10 1 1 A 34 34 ASP HA H 34 4.342 4.471 -0.129 1
1 338 . 10 1 1 A 34 34 ASP CB C 34 40.374 40.843 -0.469 1
1 341 . 10 1 1 A 34 34 ASP C C 34 175.854 175.777 0.077 1
1 342 . 10 1 1 A 35 35 CYS N N 35 111.837 117.364 -5.527 1
1 343 . 10 1 1 A 35 35 CYS H H 35 8.327 8.025 0.302 1
1 344 . 10 1 1 A 35 35 CYS CA C 35 61.093 60.482 0.611 1
1 345 . 10 1 1 A 35 35 CYS HA H 35 3.772 4.135 -0.363 1
1 346 . 10 1 1 A 35 35 CYS CB C 35 25.679 25.900 -0.221 1
1 349 . 10 1 1 A 35 35 CYS C C 35 173.370 173.887 -0.517 1
1 350 . 10 1 1 A 36 36 ARG N N 36 117.440 119.715 -2.275 1
1 351 . 10 1 1 A 36 36 ARG H H 36 7.473 7.887 -0.414 1
1 352 . 10 1 1 A 36 36 ARG CA C 36 57.988 54.218 3.770 1
1 353 . 10 1 1 A 36 36 ARG HA H 36 3.981 4.531 -0.550 1
1 354 . 10 1 1 A 36 36 ARG CB C 36 30.430 29.633 0.797 1
1 363 . 10 1 1 A 36 36 ARG C C 36 177.233 174.982 2.251 1
1 364 . 10 1 1 A 37 37 MET CA C 37 56.118 54.805 1.313 1
1 365 . 10 1 1 A 37 37 MET HA H 37 4.036 4.686 -0.650 1
1 373 . 10 1 1 A 38 38 GLY H H 38 8.192 8.652 -0.460 1
1 374 . 10 1 1 A 38 38 GLY CA C 38 45.670 45.829 -0.159 1
1 375 . 10 1 1 A 38 38 GLY HA2 H 38 4.220 4.173 0.047 1
1 376 . 10 1 1 A 38 38 GLY HA3 H 38 3.595 4.178 -0.583 1
1 377 . 10 1 1 A 38 38 GLY C C 38 173.799 173.232 0.567 1
1 378 . 10 1 1 A 39 39 ALA N N 39 122.002 120.730 1.272 1
1 379 . 10 1 1 A 39 39 ALA H H 39 7.697 7.525 0.172 1
1 380 . 10 1 1 A 39 39 ALA CA C 39 51.019 51.682 -0.663 1
1 381 . 10 1 1 A 39 39 ALA HA H 39 4.678 4.612 0.066 1
1 382 . 10 1 1 A 39 39 ALA CB C 39 22.608 22.450 0.158 1
1 386 . 10 1 1 A 39 39 ALA C C 39 176.769 177.318 -0.549 1
1 387 . 10 1 1 A 40 40 GLY N N 40 107.149 109.191 -2.042 1
1 388 . 10 1 1 A 40 40 GLY H H 40 8.731 8.770 -0.039 1
1 389 . 10 1 1 A 40 40 GLY CA C 40 45.768 46.180 -0.412 1
1 390 . 10 1 1 A 40 40 GLY HA2 H 40 3.957 3.992 -0.035 1
1 391 . 10 1 1 A 40 40 GLY HA3 H 40 4.220 3.997 0.223 1
1 392 . 10 1 1 A 40 40 GLY C C 40 176.747 175.122 1.625 1
1 393 . 10 1 1 A 41 41 ILE CA C 41 63.397 63.376 0.021 1
1 394 . 10 1 1 A 41 41 ILE HA H 41 4.312 3.970 0.342 1
1 395 . 10 1 1 A 41 41 ILE CB C 41 38.794 37.833 0.961 1
1 408 . 10 1 1 A 41 41 ILE C C 41 177.249 177.985 -0.736 1
1 409 . 10 1 1 A 42 42 ALA N N 42 124.835 122.782 2.053 1
1 410 . 10 1 1 A 42 42 ALA H H 42 8.629 8.206 0.423 1
1 411 . 10 1 1 A 42 42 ALA CA C 42 55.599 54.912 0.687 1
1 412 . 10 1 1 A 42 42 ALA HA H 42 4.377 3.862 0.515 1
1 413 . 10 1 1 A 42 42 ALA CB C 42 18.155 18.329 -0.174 1
1 417 . 10 1 1 A 42 42 ALA C C 42 179.079 180.459 -1.380 1
1 418 . 10 1 1 A 43 43 VAL N N 43 116.015 118.874 -2.859 1
1 419 . 10 1 1 A 43 43 VAL H H 43 7.363 8.209 -0.846 1
1 420 . 10 1 1 A 43 43 VAL CA C 43 65.623 67.032 -1.409 1
1 421 . 10 1 1 A 43 43 VAL HA H 43 3.822 3.579 0.243 1
1 422 . 10 1 1 A 43 43 VAL CB C 43 32.408 31.648 0.760 1
1 432 . 10 1 1 A 43 43 VAL C C 43 178.285 178.033 0.252 1
1 433 . 10 1 1 A 44 44 LEU N N 44 119.736 118.929 0.807 1
1 434 . 10 1 1 A 44 44 LEU H H 44 7.357 8.018 -0.661 1
1 435 . 10 1 1 A 44 44 LEU CA C 44 57.460 58.035 -0.575 1
1 436 . 10 1 1 A 44 44 LEU HA H 44 3.968 3.831 0.137 1
1 437 . 10 1 1 A 44 44 LEU CB C 44 41.234 41.428 -0.194 1
1 450 . 10 1 1 A 44 44 LEU C C 44 179.972 179.324 0.648 1
1 451 . 10 1 1 A 45 45 PHE N N 45 118.434 117.995 0.439 1
1 452 . 10 1 1 A 45 45 PHE H H 45 7.733 7.900 -0.167 1
1 453 . 10 1 1 A 45 45 PHE CA C 45 63.151 60.986 2.165 1
1 454 . 10 1 1 A 45 45 PHE HA H 45 4.009 4.077 -0.068 1
1 455 . 10 1 1 A 45 45 PHE CB C 45 39.883 38.677 1.206 1
1 468 . 10 1 1 A 45 45 PHE C C 45 180.448 178.010 2.438 1
1 469 . 10 1 1 A 46 46 LYS N N 46 124.749 120.010 4.739 1
1 470 . 10 1 1 A 46 46 LYS H H 46 8.819 8.027 0.792 1
1 471 . 10 1 1 A 46 46 LYS CA C 46 60.958 58.892 2.066 1
1 472 . 10 1 1 A 46 46 LYS HA H 46 4.160 4.180 -0.020 1
1 473 . 10 1 1 A 46 46 LYS CB C 46 31.930 32.040 -0.110 1
1 485 . 10 1 1 A 46 46 LYS C C 46 179.139 178.101 1.038 1
1 486 . 10 1 1 A 47 47 LYS N N 47 119.317 118.511 0.806 1
1 487 . 10 1 1 A 47 47 LYS H H 47 8.154 7.858 0.296 1
1 488 . 10 1 1 A 47 47 LYS CA C 47 59.331 57.869 1.462 1
1 489 . 10 1 1 A 47 47 LYS HA H 47 3.939 4.216 -0.277 1
1 490 . 10 1 1 A 47 47 LYS CB C 47 33.065 33.098 -0.033 1
1 502 . 10 1 1 A 47 47 LYS C C 47 178.108 178.867 -0.759 1
1 503 . 10 1 1 A 48 48 LYS N N 48 116.005 119.906 -3.901 1
1 504 . 10 1 1 A 48 48 LYS H H 48 7.976 8.078 -0.102 1
1 505 . 10 1 1 A 48 48 LYS CA C 48 58.650 58.482 0.168 1
1 506 . 10 1 1 A 48 48 LYS HA H 48 3.684 3.701 -0.017 1
1 507 . 10 1 1 A 48 48 LYS CB C 48 32.372 31.851 0.521 1
1 519 . 10 1 1 A 48 48 LYS C C 48 178.213 177.971 0.242 1
1 520 . 10 1 1 A 49 49 PHE N N 49 112.629 114.741 -2.112 1
1 521 . 10 1 1 A 49 49 PHE H H 49 7.658 7.501 0.157 1
1 522 . 10 1 1 A 49 49 PHE CA C 49 56.958 59.841 -2.883 1
1 523 . 10 1 1 A 49 49 PHE HA H 49 5.028 4.546 0.482 1
1 524 . 10 1 1 A 49 49 PHE CB C 49 40.496 40.078 0.418 1
1 537 . 10 1 1 A 49 49 PHE C C 49 176.188 176.335 -0.147 1
1 538 . 10 1 1 A 50 50 GLY N N 50 108.499 108.383 0.116 1
1 539 . 10 1 1 A 50 50 GLY H H 50 7.821 8.111 -0.290 1
1 540 . 10 1 1 A 50 50 GLY CA C 50 46.579 47.096 -0.517 1
1 541 . 10 1 1 A 50 50 GLY HA2 H 50 3.953 3.955 -0.002 1
1 542 . 10 1 1 A 50 50 GLY HA3 H 50 3.953 3.995 -0.042 1
1 543 . 10 1 1 A 50 50 GLY C C 50 174.288 175.826 -1.538 1
1 544 . 10 1 1 A 51 51 GLY N N 51 108.968 107.002 1.966 1
1 545 . 10 1 1 A 51 51 GLY H H 51 8.600 8.137 0.463 1
1 546 . 10 1 1 A 51 51 GLY CA C 51 46.597 45.224 1.373 1
1 547 . 10 1 1 A 51 51 GLY HA2 H 51 3.943 4.030 -0.087 1
1 548 . 10 1 1 A 51 51 GLY HA3 H 51 4.047 4.032 0.015 1
1 549 . 10 1 1 A 51 51 GLY C C 51 174.522 175.652 -1.130 1
1 550 . 10 1 1 A 52 52 VAL N N 52 118.929 118.886 0.043 1
1 551 . 10 1 1 A 52 52 VAL H H 52 7.980 7.971 0.009 1
1 552 . 10 1 1 A 52 52 VAL CA C 52 68.080 65.688 2.392 1
1 553 . 10 1 1 A 52 52 VAL HA H 52 3.334 3.680 -0.346 1
1 554 . 10 1 1 A 52 52 VAL CB C 52 31.150 31.574 -0.424 1
1 564 . 10 1 1 A 52 52 VAL C C 52 177.566 177.423 0.143 1
1 565 . 10 1 1 A 53 53 GLN N N 53 116.880 121.705 -4.825 1
1 566 . 10 1 1 A 53 53 GLN H H 53 8.513 7.974 0.539 1
1 567 . 10 1 1 A 53 53 GLN CA C 53 58.730 59.003 -0.273 1
1 568 . 10 1 1 A 53 53 GLN HA H 53 3.946 3.975 -0.029 1
1 569 . 10 1 1 A 53 53 GLN CB C 53 28.098 28.408 -0.310 1
1 578 . 10 1 1 A 53 53 GLN C C 53 177.916 178.030 -0.114 1
1 579 . 10 1 1 A 54 54 GLU N N 54 119.584 119.567 0.017 1
1 580 . 10 1 1 A 54 54 GLU H H 54 7.525 8.201 -0.676 1
1 581 . 10 1 1 A 54 54 GLU CA C 54 59.754 59.256 0.498 1
1 582 . 10 1 1 A 54 54 GLU HA H 54 3.980 4.078 -0.098 1
1 583 . 10 1 1 A 54 54 GLU CB C 54 29.509 29.078 0.431 1
1 589 . 10 1 1 A 54 54 GLU C C 54 180.168 179.294 0.874 1
1 590 . 10 1 1 A 55 55 LEU N N 55 121.130 120.588 0.542 1
1 591 . 10 1 1 A 55 55 LEU H H 55 8.437 7.928 0.509 1
1 592 . 10 1 1 A 55 55 LEU CA C 55 58.005 57.178 0.827 1
1 593 . 10 1 1 A 55 55 LEU HA H 55 3.870 4.003 -0.133 1
1 594 . 10 1 1 A 55 55 LEU CB C 55 42.588 41.315 1.273 1
1 607 . 10 1 1 A 55 55 LEU C C 55 180.835 179.351 1.484 1
1 608 . 10 1 1 A 56 56 LEU N N 56 123.508 118.912 4.596 1
1 609 . 10 1 1 A 56 56 LEU H H 56 8.664 8.424 0.240 1
1 610 . 10 1 1 A 56 56 LEU CA C 56 58.397 57.802 0.595 1
1 611 . 10 1 1 A 56 56 LEU HA H 56 3.972 3.921 0.051 1
1 612 . 10 1 1 A 56 56 LEU CB C 56 42.087 41.074 1.013 1
1 625 . 10 1 1 A 56 56 LEU C C 56 181.257 179.316 1.941 1
1 626 . 10 1 1 A 57 57 ASN N N 57 116.946 118.533 -1.587 1
1 627 . 10 1 1 A 57 57 ASN H H 57 8.334 7.937 0.397 1
1 628 . 10 1 1 A 57 57 ASN CA C 57 54.627 56.622 -1.995 1
1 629 . 10 1 1 A 57 57 ASN HA H 57 4.566 4.448 0.118 1
1 630 . 10 1 1 A 57 57 ASN CB C 57 38.170 37.900 0.270 1
1 636 . 10 1 1 A 57 57 ASN C C 57 176.756 177.451 -0.695 1
1 637 . 10 1 1 A 58 58 GLN N N 58 118.214 116.621 1.593 1
1 638 . 10 1 1 A 58 58 GLN H H 58 7.670 7.620 0.050 1
1 639 . 10 1 1 A 58 58 GLN CA C 58 58.022 55.904 2.118 1
1 640 . 10 1 1 A 58 58 GLN HA H 58 4.184 4.291 -0.107 1
1 641 . 10 1 1 A 58 58 GLN CB C 58 28.460 28.839 -0.379 1
1 650 . 10 1 1 A 58 58 GLN C C 58 175.792 175.235 0.557 1
1 651 . 10 1 1 A 59 59 GLN N N 59 114.113 116.494 -2.381 1
1 652 . 10 1 1 A 59 59 GLN H H 59 7.825 8.170 -0.345 1
1 653 . 10 1 1 A 59 59 GLN CA C 59 56.584 56.846 -0.262 1
1 654 . 10 1 1 A 59 59 GLN HA H 59 4.015 3.830 0.185 1
1 655 . 10 1 1 A 59 59 GLN CB C 59 26.829 26.914 -0.085 1
1 664 . 10 1 1 A 59 59 GLN C C 59 175.049 175.235 -0.186 1
1 665 . 10 1 1 A 60 60 LYS N N 60 118.472 119.048 -0.576 1
1 666 . 10 1 1 A 60 60 LYS H H 60 9.134 8.191 0.943 1
1 667 . 10 1 1 A 60 60 LYS CA C 60 54.005 56.533 -2.528 1
1 668 . 10 1 1 A 60 60 LYS HA H 60 4.458 4.379 0.079 1
1 669 . 10 1 1 A 60 60 LYS CB C 60 32.573 34.049 -1.476 1
1 681 . 10 1 1 A 60 60 LYS C C 60 176.936 175.464 1.472 1
1 682 . 10 1 1 A 61 61 LYS N N 61 121.877 119.596 2.281 1
1 683 . 10 1 1 A 61 61 LYS H H 61 9.069 8.691 0.378 1
1 684 . 10 1 1 A 61 61 LYS CA C 61 53.421 54.266 -0.845 1
1 685 . 10 1 1 A 61 61 LYS HA H 61 4.517 5.106 -0.589 1
1 686 . 10 1 1 A 61 61 LYS CB C 61 35.816 36.677 -0.861 1
1 698 . 10 1 1 A 61 61 LYS C C 61 175.049 176.311 -1.262 1
1 699 . 10 1 1 A 62 62 SER N N 62 114.153 116.360 -2.207 1
1 700 . 10 1 1 A 62 62 SER H H 62 8.524 8.764 -0.240 1
1 701 . 10 1 1 A 62 62 SER CA C 62 60.959 59.253 1.706 1
1 702 . 10 1 1 A 62 62 SER HA H 62 3.954 4.294 -0.340 1
1 703 . 10 1 1 A 62 62 SER CB C 62 64.374 63.193 1.181 1
1 706 . 10 1 1 A 62 62 SER C C 62 175.660 174.782 0.878 1
1 707 . 10 1 1 A 63 63 GLY N N 63 111.615 111.829 -0.214 1
1 708 . 10 1 1 A 63 63 GLY H H 63 9.308 8.331 0.977 1
1 709 . 10 1 1 A 63 63 GLY CA C 63 44.971 45.504 -0.533 1
1 710 . 10 1 1 A 63 63 GLY HA2 H 63 4.188 3.879 0.309 1
1 711 . 10 1 1 A 63 63 GLY HA3 H 63 4.188 3.885 0.303 1
1 712 . 10 1 1 A 63 63 GLY C C 63 172.420 173.214 -0.794 1
1 713 . 10 1 1 A 64 64 GLU N N 64 117.287 120.954 -3.667 1
1 714 . 10 1 1 A 64 64 GLU H H 64 7.909 7.626 0.283 1
1 715 . 10 1 1 A 64 64 GLU CA C 64 53.972 54.962 -0.990 1
1 716 . 10 1 1 A 64 64 GLU HA H 64 4.549 4.773 -0.224 1
1 717 . 10 1 1 A 64 64 GLU CB C 64 32.449 32.678 -0.229 1
1 723 . 10 1 1 A 64 64 GLU C C 64 174.611 174.437 0.174 1
1 724 . 10 1 1 A 65 65 VAL N N 65 118.093 121.844 -3.751 1
1 725 . 10 1 1 A 65 65 VAL H H 65 8.337 8.759 -0.422 1
1 726 . 10 1 1 A 65 65 VAL CA C 65 59.380 59.646 -0.266 1
1 727 . 10 1 1 A 65 65 VAL HA H 65 5.149 5.033 0.116 1
1 728 . 10 1 1 A 65 65 VAL CB C 65 35.892 35.430 0.462 1
1 738 . 10 1 1 A 65 65 VAL C C 65 172.013 173.666 -1.653 1
1 739 . 10 1 1 A 66 66 ALA N N 66 130.790 128.677 2.113 1
1 740 . 10 1 1 A 66 66 ALA H H 66 8.876 8.667 0.209 1
1 741 . 10 1 1 A 66 66 ALA CA C 66 50.170 50.130 0.040 1
1 742 . 10 1 1 A 66 66 ALA HA H 66 4.879 5.428 -0.549 1
1 743 . 10 1 1 A 66 66 ALA CB C 66 21.291 23.005 -1.714 1
1 747 . 10 1 1 A 66 66 ALA C C 66 175.997 175.832 0.165 1
1 748 . 10 1 1 A 67 67 VAL N N 67 119.453 120.313 -0.860 1
1 749 . 10 1 1 A 67 67 VAL H H 67 8.615 8.770 -0.155 1
1 750 . 10 1 1 A 67 67 VAL CA C 67 61.078 60.659 0.419 1
1 751 . 10 1 1 A 67 67 VAL HA H 67 5.255 5.271 -0.016 1
1 752 . 10 1 1 A 67 67 VAL CB C 67 36.283 35.077 1.206 1
1 762 . 10 1 1 A 67 67 VAL C C 67 176.213 174.599 1.614 1
1 763 . 10 1 1 A 68 68 LEU N N 68 126.404 127.465 -1.061 1
1 764 . 10 1 1 A 68 68 LEU H H 68 9.013 8.425 0.588 1
1 765 . 10 1 1 A 68 68 LEU CA C 68 53.424 54.106 -0.682 1
1 766 . 10 1 1 A 68 68 LEU HA H 68 4.809 4.951 -0.142 1
1 767 . 10 1 1 A 68 68 LEU CB C 68 46.473 46.064 0.409 1
1 780 . 10 1 1 A 68 68 LEU C C 68 174.704 174.158 0.546 1
1 781 . 10 1 1 A 69 69 LYS N N 69 123.462 128.715 -5.253 1
1 782 . 10 1 1 A 69 69 LYS H H 69 8.756 9.174 -0.418 1
1 783 . 10 1 1 A 69 69 LYS CA C 69 55.228 55.294 -0.066 1
1 784 . 10 1 1 A 69 69 LYS HA H 69 4.791 5.062 -0.271 1
1 785 . 10 1 1 A 69 69 LYS CB C 69 33.820 33.304 0.516 1
1 797 . 10 1 1 A 69 69 LYS C C 69 177.387 175.402 1.985 1
1 798 . 10 1 1 A 70 70 ARG N N 70 127.852 125.444 2.408 1
1 799 . 10 1 1 A 70 70 ARG H H 70 8.688 8.141 0.547 1
1 800 . 10 1 1 A 70 70 ARG CA C 70 52.929 54.424 -1.495 1
1 801 . 10 1 1 A 70 70 ARG CB C 70 34.028 32.788 1.240 1
1 809 . 10 1 1 A 70 70 ARG C C 70 175.460 175.983 -0.523 1
1 810 . 10 1 1 A 71 71 ASP CA C 71 55.193 54.972 0.221 1
1 811 . 10 1 1 A 71 71 ASP HA H 71 4.268 4.292 -0.024 1
1 812 . 10 1 1 A 71 71 ASP CB C 71 40.326 39.632 0.694 1
1 815 . 10 1 1 A 71 71 ASP C C 71 175.970 175.504 0.466 1
1 816 . 10 1 1 A 72 72 GLY N N 72 104.319 104.646 -0.327 1
1 817 . 10 1 1 A 72 72 GLY H H 72 8.642 8.661 -0.019 1
1 818 . 10 1 1 A 72 72 GLY CA C 72 45.692 46.740 -1.048 1
1 819 . 10 1 1 A 72 72 GLY HA2 H 72 4.062 3.795 0.267 1
1 820 . 10 1 1 A 72 72 GLY HA3 H 72 3.516 3.823 -0.307 1
1 821 . 10 1 1 A 72 72 GLY C C 72 172.604 173.348 -0.744 1
1 822 . 10 1 1 A 73 73 ARG N N 73 118.257 114.504 3.753 1
1 823 . 10 1 1 A 73 73 ARG H H 73 7.794 7.331 0.463 1
1 824 . 10 1 1 A 73 73 ARG CA C 73 52.893 54.144 -1.251 1
1 825 . 10 1 1 A 73 73 ARG HA H 73 4.560 4.451 0.109 1
1 826 . 10 1 1 A 73 73 ARG CB C 73 31.831 32.406 -0.575 1
1 837 . 10 1 1 A 73 73 ARG C C 73 173.057 173.669 -0.612 1
1 838 . 10 1 1 A 74 74 TYR N N 74 117.830 118.162 -0.332 1
1 839 . 10 1 1 A 74 74 TYR H H 74 8.366 8.143 0.223 1
1 840 . 10 1 1 A 74 74 TYR CA C 74 57.987 56.346 1.641 1
1 841 . 10 1 1 A 74 74 TYR HA H 74 5.005 5.065 -0.060 1
1 842 . 10 1 1 A 74 74 TYR CB C 74 40.473 39.427 1.046 1
1 853 . 10 1 1 A 74 74 TYR C C 74 173.530 174.564 -1.034 1
1 854 . 10 1 1 A 75 75 ILE N N 75 120.880 125.388 -4.508 1
1 855 . 10 1 1 A 75 75 ILE H H 75 8.923 8.680 0.243 1
1 856 . 10 1 1 A 75 75 ILE CA C 75 59.632 60.634 -1.002 1
1 857 . 10 1 1 A 75 75 ILE HA H 75 4.398 4.244 0.154 1
1 858 . 10 1 1 A 75 75 ILE CB C 75 37.608 38.160 -0.552 1
1 871 . 10 1 1 A 75 75 ILE C C 75 174.203 175.075 -0.872 1
1 872 . 10 1 1 A 76 76 TYR N N 76 125.586 125.391 0.195 1
1 873 . 10 1 1 A 76 76 TYR H H 76 9.540 9.136 0.404 1
1 874 . 10 1 1 A 76 76 TYR CA C 76 59.137 56.273 2.864 1
1 875 . 10 1 1 A 76 76 TYR HA H 76 4.630 5.577 -0.947 1
1 876 . 10 1 1 A 76 76 TYR CB C 76 39.909 41.742 -1.833 1
1 887 . 10 1 1 A 76 76 TYR C C 76 174.280 174.486 -0.206 1
1 888 . 10 1 1 A 77 77 TYR N N 77 123.524 122.987 0.537 1
1 889 . 10 1 1 A 77 77 TYR H H 77 9.221 9.167 0.054 1
1 890 . 10 1 1 A 77 77 TYR CA C 77 55.476 56.445 -0.969 1
1 891 . 10 1 1 A 77 77 TYR HA H 77 4.155 5.152 -0.997 1
1 892 . 10 1 1 A 77 77 TYR CB C 77 35.926 39.636 -3.710 1
1 903 . 10 1 1 A 77 77 TYR C C 77 174.236 175.251 -1.015 1
1 904 . 10 1 1 A 78 78 LEU N N 78 123.875 125.933 -2.058 1
1 905 . 10 1 1 A 78 78 LEU H H 78 8.948 8.624 0.324 1
1 906 . 10 1 1 A 78 78 LEU CA C 78 55.635 55.514 0.121 1
1 907 . 10 1 1 A 78 78 LEU HA H 78 4.134 4.569 -0.435 1
1 908 . 10 1 1 A 78 78 LEU CB C 78 40.856 42.245 -1.389 1
1 921 . 10 1 1 A 78 78 LEU C C 78 175.294 176.274 -0.980 1
1 922 . 10 1 1 A 79 79 ILE N N 79 127.986 124.394 3.592 1
1 923 . 10 1 1 A 79 79 ILE H H 79 8.322 8.482 -0.160 1
1 924 . 10 1 1 A 79 79 ILE CA C 79 59.349 60.260 -0.911 1
1 925 . 10 1 1 A 79 79 ILE HA H 79 4.372 4.751 -0.379 1
1 926 . 10 1 1 A 79 79 ILE CB C 79 34.277 39.446 -5.169 1
1 939 . 10 1 1 A 79 79 ILE C C 79 176.505 176.084 0.421 1
1 940 . 10 1 1 A 80 80 THR N N 80 113.978 118.152 -4.174 1
1 941 . 10 1 1 A 80 80 THR H H 80 8.276 8.834 -0.558 1
1 942 . 10 1 1 A 80 80 THR CA C 80 61.646 62.139 -0.493 1
1 943 . 10 1 1 A 80 80 THR HA H 80 4.334 4.602 -0.268 1
1 944 . 10 1 1 A 80 80 THR CB C 80 69.165 70.128 -0.963 1
1 950 . 10 1 1 A 80 80 THR C C 80 172.999 174.244 -1.245 1
1 951 . 10 1 1 A 81 81 LYS N N 81 114.856 119.679 -4.823 1
1 952 . 10 1 1 A 81 81 LYS H H 81 7.512 7.621 -0.109 1
1 953 . 10 1 1 A 81 81 LYS CA C 81 54.894 54.897 -0.003 1
1 954 . 10 1 1 A 81 81 LYS HA H 81 4.649 4.916 -0.267 1
1 955 . 10 1 1 A 81 81 LYS CB C 81 34.139 34.977 -0.838 1
1 964 . 10 1 1 A 81 81 LYS C C 81 175.344 176.284 -0.940 1
1 965 . 10 1 1 A 82 82 LYS N N 82 121.209 120.564 0.645 1
1 966 . 10 1 1 A 82 82 LYS H H 82 9.577 9.027 0.550 1
1 967 . 10 1 1 A 82 82 LYS CA C 82 60.198 57.558 2.640 1
1 968 . 10 1 1 A 82 82 LYS HA H 82 3.884 4.476 -0.592 1
1 969 . 10 1 1 A 82 82 LYS CB C 82 33.603 34.169 -0.566 1
1 981 . 10 1 1 A 82 82 LYS C C 82 176.049 175.559 0.490 1
1 982 . 10 1 1 A 83 83 ARG N N 83 112.456 117.170 -4.714 1
1 983 . 10 1 1 A 83 83 ARG H H 83 6.717 8.048 -1.331 1
1 984 . 10 1 1 A 83 83 ARG CA C 83 52.451 54.225 -1.774 1
1 985 . 10 1 1 A 83 83 ARG HA H 83 4.691 4.699 -0.008 1
1 986 . 10 1 1 A 83 83 ARG CB C 83 32.857 32.865 -0.008 1
1 995 . 10 1 1 A 83 83 ARG C C 83 177.299 176.691 0.608 1
1 996 . 10 1 1 A 84 84 ALA N N 84 124.857 125.507 -0.650 1
1 997 . 10 1 1 A 84 84 ALA H H 84 9.290 8.942 0.348 1
1 998 . 10 1 1 A 84 84 ALA CA C 84 56.005 55.645 0.360 1
1 999 . 10 1 1 A 84 84 ALA HA H 84 3.895 3.956 -0.061 1
1 1000 . 10 1 1 A 84 84 ALA CB C 84 19.175 18.248 0.927 1
1 1004 . 10 1 1 A 84 84 ALA C C 84 178.350 179.606 -1.256 1
1 1005 . 10 1 1 A 85 85 SER CA C 85 58.631 61.928 -3.297 1
1 1006 . 10 1 1 A 85 85 SER HA H 85 4.338 4.090 0.248 1
1 1007 . 10 1 1 A 85 85 SER CB C 85 63.277 62.746 0.531 1
1 1010 . 10 1 1 A 85 85 SER C C 85 175.469 175.015 0.454 1
1 1011 . 10 1 1 A 86 86 HIS N N 86 121.978 116.751 5.227 1
1 1012 . 10 1 1 A 86 86 HIS H H 86 7.560 7.724 -0.164 1
1 1013 . 10 1 1 A 86 86 HIS CA C 86 54.468 55.360 -0.892 1
1 1014 . 10 1 1 A 86 86 HIS HA H 86 4.766 4.778 -0.012 1
1 1015 . 10 1 1 A 86 86 HIS CB C 86 33.069 30.600 2.469 1
1 1022 . 10 1 1 A 86 86 HIS C C 86 174.466 174.691 -0.225 1
1 1023 . 10 1 1 A 87 87 LYS N N 87 122.014 123.827 -1.813 1
1 1024 . 10 1 1 A 87 87 LYS H H 87 8.693 8.614 0.079 1
1 1025 . 10 1 1 A 87 87 LYS CA C 87 53.283 54.337 -1.054 1
1 1026 . 10 1 1 A 87 87 LYS HA H 87 4.792 4.533 0.259 1
1 1027 . 10 1 1 A 87 87 LYS CB C 87 32.803 31.795 1.008 1
1 1037 . 10 1 1 A 87 87 LYS C C 87 175.072 174.564 0.508 1
1 1038 . 10 1 1 A 88 88 PRO CA C 88 62.515 62.707 -0.192 1
1 1039 . 10 1 1 A 88 88 PRO HA H 88 4.796 4.693 0.103 1
1 1040 . 10 1 1 A 88 88 PRO CB C 88 32.687 32.699 -0.012 1
1 1049 . 10 1 1 A 88 88 PRO C C 88 175.319 176.098 -0.779 1
1 1050 . 10 1 1 A 89 89 THR N N 89 107.501 112.235 -4.734 1
1 1051 . 10 1 1 A 89 89 THR H H 89 7.933 8.225 -0.292 1
1 1052 . 10 1 1 A 89 89 THR CA C 89 58.518 59.786 -1.268 1
1 1053 . 10 1 1 A 89 89 THR HA H 89 4.758 4.658 0.100 1
1 1054 . 10 1 1 A 89 89 THR CB C 89 70.861 71.565 -0.704 1
1 1060 . 10 1 1 A 89 89 THR C C 89 175.662 175.393 0.269 1
1 1061 . 10 1 1 A 90 90 TYR N N 90 120.845 124.192 -3.347 1
1 1062 . 10 1 1 A 90 90 TYR H H 90 8.751 8.938 -0.187 1
1 1063 . 10 1 1 A 90 90 TYR CA C 90 63.195 61.460 1.735 1
1 1064 . 10 1 1 A 90 90 TYR HA H 90 4.064 4.160 -0.096 1
1 1065 . 10 1 1 A 90 90 TYR CB C 90 37.372 38.192 -0.820 1
1 1076 . 10 1 1 A 90 90 TYR C C 90 178.063 178.150 -0.087 1
1 1077 . 10 1 1 A 91 91 GLU N N 91 118.210 120.138 -1.928 1
1 1078 . 10 1 1 A 91 91 GLU H H 91 8.857 8.382 0.475 1
1 1079 . 10 1 1 A 91 91 GLU CA C 91 60.312 59.693 0.619 1
1 1080 . 10 1 1 A 91 91 GLU HA H 91 4.114 4.011 0.103 1
1 1081 . 10 1 1 A 91 91 GLU CB C 91 29.276 29.186 0.090 1
1 1087 . 10 1 1 A 91 91 GLU C C 91 178.970 178.809 0.161 1
1 1088 . 10 1 1 A 92 92 ASN N N 92 117.220 117.954 -0.734 1
1 1089 . 10 1 1 A 92 92 ASN H H 92 7.894 8.094 -0.200 1
1 1090 . 10 1 1 A 92 92 ASN CA C 92 55.334 56.358 -1.024 1
1 1091 . 10 1 1 A 92 92 ASN HA H 92 4.696 4.489 0.207 1
1 1092 . 10 1 1 A 92 92 ASN CB C 92 37.704 38.044 -0.340 1
1 1098 . 10 1 1 A 92 92 ASN C C 92 178.155 177.845 0.310 1
1 1099 . 10 1 1 A 93 93 LEU N N 93 121.622 121.293 0.329 1
1 1100 . 10 1 1 A 93 93 LEU H H 93 8.038 8.083 -0.045 1
1 1101 . 10 1 1 A 93 93 LEU CA C 93 58.495 58.846 -0.351 1
1 1102 . 10 1 1 A 93 93 LEU HA H 93 4.092 4.002 0.090 1
1 1103 . 10 1 1 A 93 93 LEU CB C 93 41.383 42.023 -0.640 1
1 1116 . 10 1 1 A 93 93 LEU C C 93 177.808 178.421 -0.613 1
1 1117 . 10 1 1 A 94 94 GLN N N 94 120.352 118.241 2.111 1
1 1118 . 10 1 1 A 94 94 GLN H H 94 8.792 8.035 0.757 1
1 1119 . 10 1 1 A 94 94 GLN CA C 94 61.099 59.238 1.861 1
1 1120 . 10 1 1 A 94 94 GLN HA H 94 3.721 3.992 -0.271 1
1 1121 . 10 1 1 A 94 94 GLN CB C 94 27.560 28.892 -1.332 1
1 1130 . 10 1 1 A 94 94 GLN C C 94 178.042 178.312 -0.270 1
1 1131 . 10 1 1 A 95 95 LYS N N 95 117.824 118.380 -0.556 1
1 1132 . 10 1 1 A 95 95 LYS H H 95 7.803 7.854 -0.051 1
1 1133 . 10 1 1 A 95 95 LYS CA C 95 60.222 59.456 0.766 1
1 1134 . 10 1 1 A 95 95 LYS HA H 95 4.012 3.954 0.058 1
1 1135 . 10 1 1 A 95 95 LYS CB C 95 33.168 32.310 0.858 1
1 1147 . 10 1 1 A 95 95 LYS C C 95 179.868 179.364 0.504 1
1 1148 . 10 1 1 A 96 96 SER N N 96 118.301 116.306 1.995 1
1 1149 . 10 1 1 A 96 96 SER H H 96 8.251 8.086 0.165 1
1 1150 . 10 1 1 A 96 96 SER CA C 96 63.668 62.452 1.216 1
1 1151 . 10 1 1 A 96 96 SER HA H 96 3.710 4.141 -0.431 1
1 1152 . 10 1 1 A 96 96 SER CB C 96 62.882 62.859 0.023 1
1 1155 . 10 1 1 A 96 96 SER C C 96 176.400 176.522 -0.122 1
1 1156 . 10 1 1 A 97 97 LEU N N 97 122.701 121.202 1.499 1
1 1157 . 10 1 1 A 97 97 LEU H H 97 8.467 8.229 0.238 1
1 1158 . 10 1 1 A 97 97 LEU CA C 97 58.323 57.990 0.333 1
1 1159 . 10 1 1 A 97 97 LEU HA H 97 3.861 4.040 -0.179 1
1 1160 . 10 1 1 A 97 97 LEU CB C 97 42.995 41.256 1.739 1
1 1173 . 10 1 1 A 97 97 LEU C C 97 178.941 179.284 -0.343 1
1 1174 . 10 1 1 A 98 98 GLU N N 98 119.918 118.808 1.110 1
1 1175 . 10 1 1 A 98 98 GLU H H 98 8.410 8.154 0.256 1
1 1176 . 10 1 1 A 98 98 GLU CA C 98 59.561 58.941 0.620 1
1 1177 . 10 1 1 A 98 98 GLU HA H 98 3.622 4.007 -0.385 1
1 1178 . 10 1 1 A 98 98 GLU CB C 98 29.142 28.935 0.207 1
1 1184 . 10 1 1 A 98 98 GLU C C 98 179.137 177.620 1.517 1
1 1185 . 10 1 1 A 99 99 ALA N N 99 124.193 122.900 1.293 1
1 1186 . 10 1 1 A 99 99 ALA H H 99 8.197 7.627 0.570 1
1 1187 . 10 1 1 A 99 99 ALA CA C 99 55.016 53.823 1.193 1
1 1188 . 10 1 1 A 99 99 ALA HA H 99 4.247 4.238 0.009 1
1 1189 . 10 1 1 A 99 99 ALA CB C 99 17.815 18.977 -1.162 1
1 1193 . 10 1 1 A 99 99 ALA C C 99 181.133 179.144 1.989 1
1 1194 . 10 1 1 A 100 100 MET N N 100 122.009 118.230 3.779 1
1 1195 . 10 1 1 A 100 100 MET H H 100 8.482 7.869 0.613 1
1 1196 . 10 1 1 A 100 100 MET CA C 100 59.826 58.031 1.795 1
1 1197 . 10 1 1 A 100 100 MET HA H 100 3.714 4.033 -0.319 1
1 1198 . 10 1 1 A 100 100 MET CB C 100 32.944 32.167 0.777 1
1 1208 . 10 1 1 A 100 100 MET C C 100 176.658 177.811 -1.153 1
1 1209 . 10 1 1 A 101 101 LYS N N 101 120.991 118.358 2.633 1
1 1210 . 10 1 1 A 101 101 LYS H H 101 8.721 7.677 1.044 1
1 1211 . 10 1 1 A 101 101 LYS CA C 101 60.563 58.762 1.801 1
1 1212 . 10 1 1 A 101 101 LYS HA H 101 3.614 3.965 -0.351 1
1 1213 . 10 1 1 A 101 101 LYS CB C 101 30.759 31.936 -1.177 1
1 1225 . 10 1 1 A 101 101 LYS C C 101 177.419 178.309 -0.890 1
1 1226 . 10 1 1 A 102 102 SER N N 102 111.833 114.585 -2.752 1
1 1227 . 10 1 1 A 102 102 SER H H 102 8.005 7.947 0.058 1
1 1228 . 10 1 1 A 102 102 SER CA C 102 61.993 61.569 0.424 1
1 1229 . 10 1 1 A 102 102 SER HA H 102 4.082 4.107 -0.025 1
1 1230 . 10 1 1 A 102 102 SER CB C 102 62.863 63.078 -0.215 1
1 1233 . 10 1 1 A 102 102 SER C C 102 176.601 176.843 -0.242 1
1 1234 . 10 1 1 A 103 103 HIS N N 103 121.793 120.971 0.822 1
1 1235 . 10 1 1 A 103 103 HIS H H 103 7.605 7.915 -0.310 1
1 1236 . 10 1 1 A 103 103 HIS CA C 103 62.090 59.965 2.125 1
1 1237 . 10 1 1 A 103 103 HIS HA H 103 4.000 4.262 -0.262 1
1 1238 . 10 1 1 A 103 103 HIS CB C 103 30.652 29.946 0.706 1
1 1245 . 10 1 1 A 103 103 HIS C C 103 179.129 176.410 2.719 1
1 1246 . 10 1 1 A 104 104 CYS N N 104 119.421 116.524 2.897 1
1 1247 . 10 1 1 A 104 104 CYS H H 104 9.261 7.547 1.714 1
1 1248 . 10 1 1 A 104 104 CYS CA C 104 63.841 63.544 0.297 1
1 1249 . 10 1 1 A 104 104 CYS HA H 104 4.105 4.344 -0.239 1
1 1250 . 10 1 1 A 104 104 CYS CB C 104 27.916 26.979 0.937 1
1 1253 . 10 1 1 A 104 104 CYS C C 104 178.176 177.356 0.820 1
1 1254 . 10 1 1 A 105 105 LEU N N 105 117.129 120.615 -3.486 1
1 1255 . 10 1 1 A 105 105 LEU H H 105 8.331 7.835 0.496 1
1 1256 . 10 1 1 A 105 105 LEU CA C 105 57.262 58.108 -0.846 1
1 1257 . 10 1 1 A 105 105 LEU HA H 105 4.245 3.940 0.305 1
1 1258 . 10 1 1 A 105 105 LEU CB C 105 42.030 41.795 0.235 1
1 1271 . 10 1 1 A 105 105 LEU C C 105 180.635 179.021 1.614 1
1 1272 . 10 1 1 A 106 106 LYS N N 106 118.583 116.776 1.807 1
1 1273 . 10 1 1 A 106 106 LYS H H 106 7.638 8.185 -0.547 1
1 1274 . 10 1 1 A 106 106 LYS CA C 106 58.075 60.178 -2.103 1
1 1275 . 10 1 1 A 106 106 LYS HA H 106 4.140 3.880 0.260 1
1 1276 . 10 1 1 A 106 106 LYS CB C 106 33.191 32.269 0.922 1
1 1288 . 10 1 1 A 106 106 LYS C C 106 177.466 178.742 -1.276 1
1 1289 . 10 1 1 A 107 107 ASN N N 107 113.320 114.962 -1.642 1
1 1290 . 10 1 1 A 107 107 ASN H H 107 7.606 8.000 -0.394 1
1 1291 . 10 1 1 A 107 107 ASN CA C 107 53.813 54.798 -0.985 1
1 1292 . 10 1 1 A 107 107 ASN HA H 107 4.841 4.632 0.209 1
1 1293 . 10 1 1 A 107 107 ASN CB C 107 39.785 38.313 1.472 1
1 1299 . 10 1 1 A 107 107 ASN C C 107 174.443 175.598 -1.155 1
1 1300 . 10 1 1 A 108 108 GLY N N 108 109.386 107.444 1.942 1
1 1301 . 10 1 1 A 108 108 GLY H H 108 7.667 7.939 -0.272 1
1 1302 . 10 1 1 A 108 108 GLY CA C 108 47.252 45.290 1.962 1
1 1303 . 10 1 1 A 108 108 GLY HA2 H 108 4.023 4.132 -0.109 1
1 1304 . 10 1 1 A 108 108 GLY HA3 H 108 4.023 4.139 -0.116 1
1 1305 . 10 1 1 A 108 108 GLY C C 108 174.436 174.356 0.080 1
1 1306 . 10 1 1 A 109 109 VAL N N 109 122.758 120.586 2.172 1
1 1307 . 10 1 1 A 109 109 VAL H H 109 8.480 8.158 0.322 1
1 1308 . 10 1 1 A 109 109 VAL CA C 109 63.788 61.687 2.101 1
1 1309 . 10 1 1 A 109 109 VAL HA H 109 4.094 4.264 -0.170 1
1 1310 . 10 1 1 A 109 109 VAL CB C 109 32.931 31.884 1.047 1
1 1320 . 10 1 1 A 109 109 VAL C C 109 176.089 175.205 0.884 1
1 1321 . 10 1 1 A 110 110 THR N N 110 115.431 124.027 -8.596 1
1 1322 . 10 1 1 A 110 110 THR H H 110 8.995 9.124 -0.129 1
1 1323 . 10 1 1 A 110 110 THR CA C 110 62.045 61.328 0.717 1
1 1324 . 10 1 1 A 110 110 THR HA H 110 4.515 4.639 -0.124 1
1 1325 . 10 1 1 A 110 110 THR CB C 110 70.758 69.740 1.018 1
1 1331 . 10 1 1 A 110 110 THR C C 110 173.700 173.613 0.087 1
1 1332 . 10 1 1 A 111 111 ASP N N 111 123.757 119.710 4.047 1
1 1333 . 10 1 1 A 111 111 ASP H H 111 8.123 7.867 0.256 1
1 1334 . 10 1 1 A 111 111 ASP CA C 111 54.747 53.584 1.163 1
1 1335 . 10 1 1 A 111 111 ASP HA H 111 5.527 5.310 0.217 1
1 1336 . 10 1 1 A 111 111 ASP CB C 111 43.928 43.176 0.752 1
1 1339 . 10 1 1 A 111 111 ASP C C 111 172.807 173.717 -0.910 1
1 1340 . 10 1 1 A 112 112 LEU N N 112 123.145 126.674 -3.529 1
1 1341 . 10 1 1 A 112 112 LEU H H 112 8.671 9.002 -0.331 1
1 1342 . 10 1 1 A 112 112 LEU CA C 112 52.953 53.592 -0.639 1
1 1343 . 10 1 1 A 112 112 LEU HA H 112 5.213 5.492 -0.279 1
1 1344 . 10 1 1 A 112 112 LEU CB C 112 47.875 46.925 0.950 1
1 1357 . 10 1 1 A 112 112 LEU C C 112 176.803 174.514 2.289 1
1 1358 . 10 1 1 A 113 113 SER N N 113 122.973 119.724 3.249 1
1 1359 . 10 1 1 A 113 113 SER H H 113 9.473 8.655 0.818 1
1 1360 . 10 1 1 A 113 113 SER CA C 113 59.207 57.079 2.128 1
1 1361 . 10 1 1 A 113 113 SER HA H 113 6.070 5.470 0.600 1
1 1362 . 10 1 1 A 113 113 SER CB C 113 67.023 65.267 1.756 1
1 1365 . 10 1 1 A 113 113 SER C C 113 172.066 172.662 -0.596 1
1 1366 . 10 1 1 A 114 114 MET N N 114 118.476 123.039 -4.563 1
1 1367 . 10 1 1 A 114 114 MET H H 114 9.080 8.926 0.154 1
1 1368 . 10 1 1 A 114 114 MET CA C 114 54.007 53.231 0.776 1
1 1369 . 10 1 1 A 114 114 MET HA H 114 5.435 5.154 0.281 1
1 1370 . 10 1 1 A 114 114 MET CB C 114 34.867 36.004 -1.137 1
1 1380 . 10 1 1 A 114 114 MET C C 114 172.934 174.177 -1.243 1
1 1381 . 10 1 1 A 115 115 PRO CA C 115 62.262 62.276 -0.014 1
1 1382 . 10 1 1 A 115 115 PRO HA H 115 5.593 4.746 0.847 1
1 1383 . 10 1 1 A 115 115 PRO CB C 115 32.748 33.240 -0.492 1
1 1392 . 10 1 1 A 115 115 PRO C C 115 175.547 176.064 -0.517 1
1 1393 . 10 1 1 A 116 116 ARG N N 116 116.821 120.763 -3.942 1
1 1394 . 10 1 1 A 116 116 ARG H H 116 8.348 8.458 -0.110 1
1 1395 . 10 1 1 A 116 116 ARG CA C 116 55.785 56.052 -0.267 1
1 1396 . 10 1 1 A 116 116 ARG HA H 116 3.896 4.041 -0.145 1
1 1397 . 10 1 1 A 116 116 ARG CB C 116 27.344 30.290 -2.946 1
1 1406 . 10 1 1 A 116 116 ARG C C 116 176.796 175.725 1.071 1
1 1407 . 10 1 1 A 117 117 ILE N N 117 122.887 120.402 2.485 1
1 1408 . 10 1 1 A 117 117 ILE H H 117 7.989 8.278 -0.289 1
1 1409 . 10 1 1 A 117 117 ILE CA C 117 63.148 59.519 3.629 1
1 1410 . 10 1 1 A 117 117 ILE HA H 117 4.028 4.965 -0.937 1
1 1411 . 10 1 1 A 117 117 ILE CB C 117 40.010 39.767 0.243 1
1 1424 . 10 1 1 A 117 117 ILE C C 117 174.324 174.970 -0.646 1
1 1425 . 10 1 1 A 118 118 GLY N N 118 107.320 110.928 -3.608 1
1 1426 . 10 1 1 A 118 118 GLY H H 118 8.662 8.282 0.380 1
1 1427 . 10 1 1 A 118 118 GLY CA C 118 45.752 44.898 0.854 1
1 1428 . 10 1 1 A 118 118 GLY HA2 H 118 3.693 4.148 -0.455 1
1 1429 . 10 1 1 A 118 118 GLY HA3 H 118 4.226 4.196 0.030 1
1 1430 . 10 1 1 A 118 118 GLY C C 118 172.861 174.566 -1.705 1
1 1431 . 10 1 1 A 119 119 CYS N N 119 115.336 123.011 -7.675 1
1 1432 . 10 1 1 A 119 119 CYS H H 119 7.445 8.589 -1.144 1
1 1433 . 10 1 1 A 119 119 CYS CA C 119 58.753 59.932 -1.179 1
1 1434 . 10 1 1 A 119 119 CYS HA H 119 4.831 4.233 0.598 1
1 1435 . 10 1 1 A 119 119 CYS CB C 119 28.840 25.647 3.193 1
1 1438 . 10 1 1 A 121 121 LEU CA C 121 57.692 58.074 -0.382 1
1 1439 . 10 1 1 A 121 121 LEU HA H 121 4.152 4.023 0.129 1
1 1440 . 10 1 1 A 121 121 LEU CB C 121 41.644 41.547 0.097 1
1 1453 . 10 1 1 A 123 123 ARG N N 123 107.909 119.599 -11.690 1
1 1454 . 10 1 1 A 123 123 ARG H H 123 7.536 8.573 -1.037 1
1 1455 . 10 1 1 A 123 123 ARG CA C 123 57.775 55.451 2.324 1
1 1456 . 10 1 1 A 123 123 ARG HA H 123 3.989 4.541 -0.552 1
1 1457 . 10 1 1 A 123 123 ARG CB C 123 28.219 30.063 -1.844 1
1 1466 . 10 1 1 A 123 123 ARG C C 123 176.088 175.195 0.893 1
1 1467 . 10 1 1 A 124 124 LEU N N 124 118.876 122.159 -3.283 1
1 1468 . 10 1 1 A 124 124 LEU H H 124 8.401 7.700 0.701 1
1 1469 . 10 1 1 A 124 124 LEU CA C 124 54.573 53.179 1.394 1
1 1470 . 10 1 1 A 124 124 LEU HA H 124 4.533 5.230 -0.697 1
1 1471 . 10 1 1 A 124 124 LEU CB C 124 39.785 45.127 -5.342 1
1 1484 . 10 1 1 A 124 124 LEU C C 124 175.551 175.845 -0.294 1
1 1485 . 10 1 1 A 125 125 GLN N N 125 116.713 118.768 -2.055 1
1 1486 . 10 1 1 A 125 125 GLN H H 125 7.779 8.765 -0.986 1
1 1487 . 10 1 1 A 125 125 GLN CA C 125 54.609 54.398 0.211 1
1 1488 . 10 1 1 A 125 125 GLN HA H 125 4.794 4.972 -0.178 1
1 1489 . 10 1 1 A 125 125 GLN CB C 125 30.327 32.408 -2.081 1
1 1498 . 10 1 1 A 125 125 GLN C C 125 177.722 176.194 1.528 1
1 1499 . 10 1 1 A 126 126 TRP N N 126 128.887 126.265 2.622 1
1 1500 . 10 1 1 A 126 126 TRP H H 126 9.755 9.150 0.605 1
1 1501 . 10 1 1 A 126 126 TRP CA C 126 59.962 61.266 -1.304 1
1 1502 . 10 1 1 A 126 126 TRP HA H 126 4.545 4.273 0.272 1
1 1503 . 10 1 1 A 126 126 TRP CB C 126 30.009 30.220 -0.211 1
1 1518 . 10 1 1 A 126 126 TRP C C 126 177.057 178.147 -1.090 1
1 1519 . 10 1 1 A 127 127 GLU N N 127 119.568 118.841 0.727 1
1 1520 . 10 1 1 A 127 127 GLU H H 127 9.946 8.395 1.551 1
1 1521 . 10 1 1 A 127 127 GLU CA C 127 60.623 60.023 0.600 1
1 1522 . 10 1 1 A 127 127 GLU HA H 127 3.780 3.805 -0.025 1
1 1523 . 10 1 1 A 127 127 GLU CB C 127 28.594 29.125 -0.531 1
1 1529 . 10 1 1 A 127 127 GLU C C 127 177.905 179.200 -1.295 1
1 1530 . 10 1 1 A 128 128 ASN N N 128 115.229 117.771 -2.542 1
1 1531 . 10 1 1 A 128 128 ASN H H 128 7.159 7.793 -0.634 1
1 1532 . 10 1 1 A 128 128 ASN CA C 128 55.370 55.816 -0.446 1
1 1533 . 10 1 1 A 128 128 ASN HA H 128 4.446 4.390 0.056 1
1 1534 . 10 1 1 A 128 128 ASN CB C 128 38.522 38.216 0.306 1
1 1540 . 10 1 1 A 128 128 ASN C C 128 177.374 177.802 -0.428 1
1 1541 . 10 1 1 A 129 129 VAL N N 129 122.487 119.962 2.525 1
1 1542 . 10 1 1 A 129 129 VAL H H 129 8.033 7.865 0.168 1
1 1543 . 10 1 1 A 129 129 VAL CA C 129 67.289 66.933 0.356 1
1 1544 . 10 1 1 A 129 129 VAL HA H 129 3.489 3.568 -0.079 1
1 1545 . 10 1 1 A 129 129 VAL CB C 129 31.824 31.600 0.224 1
1 1555 . 10 1 1 A 129 129 VAL C C 129 177.209 177.729 -0.520 1
1 1556 . 10 1 1 A 130 130 SER N N 130 115.189 113.632 1.557 1
1 1557 . 10 1 1 A 130 130 SER H H 130 8.550 8.136 0.414 1
1 1558 . 10 1 1 A 130 130 SER CA C 130 61.477 60.619 0.858 1
1 1559 . 10 1 1 A 130 130 SER HA H 130 3.151 3.617 -0.466 1
1 1560 . 10 1 1 A 130 130 SER CB C 130 61.348 61.675 -0.327 1
1 1563 . 10 1 1 A 130 130 SER C C 130 175.971 176.710 -0.739 1
1 1564 . 10 1 1 A 131 131 ALA N N 131 123.596 124.025 -0.429 1
1 1565 . 10 1 1 A 131 131 ALA H H 131 6.551 7.281 -0.730 1
1 1566 . 10 1 1 A 131 131 ALA CA C 131 54.947 55.024 -0.077 1
1 1567 . 10 1 1 A 131 131 ALA HA H 131 4.079 3.901 0.178 1
1 1568 . 10 1 1 A 131 131 ALA CB C 131 18.023 18.179 -0.156 1
1 1572 . 10 1 1 A 131 131 ALA C C 131 179.947 179.789 0.158 1
1 1573 . 10 1 1 A 132 132 MET N N 132 119.410 116.472 2.938 1
1 1574 . 10 1 1 A 132 132 MET H H 132 7.442 7.954 -0.512 1
1 1575 . 10 1 1 A 132 132 MET CA C 132 58.917 58.440 0.477 1
1 1576 . 10 1 1 A 132 132 MET HA H 132 4.118 4.087 0.031 1
1 1577 . 10 1 1 A 132 132 MET CB C 132 33.984 32.587 1.397 1
1 1587 . 10 1 1 A 132 132 MET C C 132 178.019 179.022 -1.003 1
1 1588 . 10 1 1 A 133 133 ILE N N 133 120.265 119.611 0.654 1
1 1589 . 10 1 1 A 133 133 ILE H H 133 8.554 7.809 0.745 1
1 1590 . 10 1 1 A 133 133 ILE CA C 133 66.859 65.084 1.775 1
1 1591 . 10 1 1 A 133 133 ILE HA H 133 3.470 3.809 -0.339 1
1 1592 . 10 1 1 A 133 133 ILE CB C 133 38.240 36.931 1.309 1
1 1605 . 10 1 1 A 133 133 ILE C C 133 177.949 178.760 -0.811 1
1 1606 . 10 1 1 A 134 134 GLU N N 134 117.011 121.464 -4.453 1
1 1607 . 10 1 1 A 134 134 GLU H H 134 8.106 8.452 -0.346 1
1 1608 . 10 1 1 A 134 134 GLU CA C 134 59.844 59.627 0.217 1
1 1609 . 10 1 1 A 134 134 GLU HA H 134 3.919 4.043 -0.124 1
1 1610 . 10 1 1 A 134 134 GLU CB C 134 29.024 29.474 -0.450 1
1 1616 . 10 1 1 A 134 134 GLU C C 134 178.982 179.243 -0.261 1
1 1617 . 10 1 1 A 135 135 GLU N N 135 118.619 119.110 -0.491 1
1 1618 . 10 1 1 A 135 135 GLU H H 135 7.848 8.221 -0.373 1
1 1619 . 10 1 1 A 135 135 GLU CA C 135 59.438 59.303 0.135 1
1 1620 . 10 1 1 A 135 135 GLU HA H 135 4.090 4.073 0.017 1
1 1621 . 10 1 1 A 135 135 GLU CB C 135 29.948 29.177 0.771 1
1 1627 . 10 1 1 A 135 135 GLU C C 135 179.547 179.194 0.353 1
1 1628 . 10 1 1 A 136 136 VAL N N 136 119.915 121.500 -1.585 1
1 1629 . 10 1 1 A 136 136 VAL H H 136 8.793 8.158 0.635 1
1 1630 . 10 1 1 A 136 136 VAL CA C 136 66.122 66.412 -0.290 1
1 1631 . 10 1 1 A 136 136 VAL HA H 136 3.578 3.517 0.061 1
1 1632 . 10 1 1 A 136 136 VAL CB C 136 31.990 31.831 0.159 1
1 1642 . 10 1 1 A 136 136 VAL C C 136 177.646 177.545 0.101 1
1 1643 . 10 1 1 A 137 137 PHE N N 137 111.913 117.409 -5.496 1
1 1644 . 10 1 1 A 137 137 PHE H H 137 8.009 7.759 0.250 1
1 1645 . 10 1 1 A 137 137 PHE CA C 137 59.545 59.096 0.449 1
1 1646 . 10 1 1 A 137 137 PHE HA H 137 4.197 4.470 -0.273 1
1 1647 . 10 1 1 A 137 137 PHE CB C 137 38.105 38.690 -0.585 1
1 1660 . 10 1 1 A 138 138 GLU N N 138 123.997 119.256 4.741 1
1 1661 . 10 1 1 A 138 138 GLU H H 138 7.268 8.233 -0.965 1
1 1662 . 10 1 1 A 138 138 GLU CA C 138 59.222 58.753 0.469 1
1 1663 . 10 1 1 A 138 138 GLU HA H 138 4.161 4.166 -0.005 1
1 1664 . 10 1 1 A 138 138 GLU CB C 138 29.644 28.987 0.657 1
1 1670 . 10 1 1 A 139 139 ALA N N 139 121.713 120.850 0.863 1
1 1671 . 10 1 1 A 139 139 ALA H H 139 8.830 7.645 1.185 1
1 1672 . 10 1 1 A 139 139 ALA CA C 139 52.894 50.972 1.922 1
1 1673 . 10 1 1 A 139 139 ALA HA H 139 4.334 4.461 -0.127 1
1 1674 . 10 1 1 A 139 139 ALA CB C 139 17.362 19.117 -1.755 1
1 1678 . 10 1 1 A 139 139 ALA C C 139 176.943 176.005 0.938 1
1 1679 . 10 1 1 A 140 140 THR N N 140 107.901 109.788 -1.887 1
1 1680 . 10 1 1 A 140 140 THR H H 140 7.809 7.824 -0.015 1
1 1681 . 10 1 1 A 140 140 THR CA C 140 61.013 60.012 1.001 1
1 1682 . 10 1 1 A 140 140 THR HA H 140 4.164 4.829 -0.665 1
1 1683 . 10 1 1 A 140 140 THR CB C 140 72.698 71.940 0.758 1
1 1689 . 10 1 1 A 140 140 THR C C 140 174.222 173.341 0.881 1
1 1690 . 10 1 1 A 141 141 ASP N N 141 120.212 117.947 2.265 1
1 1691 . 10 1 1 A 141 141 ASP H H 141 8.959 8.510 0.449 1
1 1692 . 10 1 1 A 141 141 ASP CA C 141 53.333 53.758 -0.425 1
1 1693 . 10 1 1 A 141 141 ASP HA H 141 4.991 5.002 -0.011 1
1 1694 . 10 1 1 A 141 141 ASP CB C 141 40.660 41.558 -0.898 1
1 1697 . 10 1 1 A 141 141 ASP C C 141 175.403 174.500 0.903 1
1 1698 . 10 1 1 A 142 142 ILE N N 142 120.815 121.524 -0.709 1
1 1699 . 10 1 1 A 142 142 ILE H H 142 7.444 7.621 -0.177 1
1 1700 . 10 1 1 A 142 142 ILE CA C 142 62.338 60.489 1.849 1
1 1701 . 10 1 1 A 142 142 ILE HA H 142 4.131 4.601 -0.470 1
1 1702 . 10 1 1 A 142 142 ILE CB C 142 38.703 39.890 -1.187 1
1 1715 . 10 1 1 A 142 142 ILE C C 142 175.399 174.632 0.767 1
1 1716 . 10 1 1 A 143 143 LYS N N 143 129.106 127.458 1.648 1
1 1717 . 10 1 1 A 143 143 LYS H H 143 8.588 8.900 -0.312 1
1 1718 . 10 1 1 A 143 143 LYS CA C 143 55.725 55.606 0.119 1
1 1719 . 10 1 1 A 143 143 LYS HA H 143 4.444 4.782 -0.338 1
1 1720 . 10 1 1 A 143 143 LYS CB C 143 33.768 33.721 0.047 1
1 1732 . 10 1 1 A 143 143 LYS C C 143 174.820 175.249 -0.429 1
1 1733 . 10 1 1 A 144 144 ILE N N 144 122.496 125.161 -2.665 1
1 1734 . 10 1 1 A 144 144 ILE H H 144 7.884 8.992 -1.108 1
1 1735 . 10 1 1 A 144 144 ILE CA C 144 59.861 60.083 -0.222 1
1 1736 . 10 1 1 A 144 144 ILE HA H 144 4.937 5.019 -0.082 1
1 1737 . 10 1 1 A 144 144 ILE CB C 144 40.518 39.852 0.666 1
1 1750 . 10 1 1 A 144 144 ILE C C 144 175.232 175.172 0.060 1
1 1751 . 10 1 1 A 145 145 THR N N 145 126.667 123.687 2.980 1
1 1752 . 10 1 1 A 145 145 THR H H 145 9.100 8.801 0.299 1
1 1753 . 10 1 1 A 145 145 THR CA C 145 61.374 61.764 -0.390 1
1 1754 . 10 1 1 A 145 145 THR HA H 145 4.992 5.074 -0.082 1
1 1755 . 10 1 1 A 145 145 THR CB C 145 68.907 70.879 -1.972 1
1 1761 . 10 1 1 A 145 145 THR C C 145 173.158 173.487 -0.329 1
1 1762 . 10 1 1 A 146 146 VAL N N 146 127.717 127.219 0.498 1
1 1763 . 10 1 1 A 146 146 VAL H H 146 8.818 8.998 -0.180 1
1 1764 . 10 1 1 A 146 146 VAL CA C 146 59.930 61.374 -1.444 1
1 1765 . 10 1 1 A 146 146 VAL HA H 146 5.053 4.923 0.130 1
1 1766 . 10 1 1 A 146 146 VAL CB C 146 32.906 32.920 -0.014 1
1 1776 . 10 1 1 A 146 146 VAL C C 146 175.653 175.014 0.639 1
1 1777 . 10 1 1 A 147 147 TYR N N 147 129.304 127.123 2.181 1
1 1778 . 10 1 1 A 147 147 TYR H H 147 8.926 9.184 -0.258 1
1 1779 . 10 1 1 A 147 147 TYR CA C 147 57.290 57.339 -0.049 1
1 1780 . 10 1 1 A 147 147 TYR HA H 147 5.283 5.540 -0.257 1
1 1781 . 10 1 1 A 147 147 TYR CB C 147 40.422 40.861 -0.439 1
1 1792 . 10 1 1 A 147 147 TYR C C 147 177.250 175.340 1.910 1
1 1793 . 10 1 1 A 148 148 THR N N 148 116.883 115.419 1.464 1
1 1794 . 10 1 1 A 148 148 THR H H 148 8.607 8.749 -0.142 1
1 1795 . 10 1 1 A 148 148 THR CA C 148 61.560 60.425 1.135 1
1 1796 . 10 1 1 A 148 148 THR HA H 148 4.431 4.981 -0.550 1
1 1797 . 10 1 1 A 148 148 THR CB C 148 70.966 71.384 -0.418 1
1 1803 . 10 1 1 A 148 148 THR C C 148 172.797 172.253 0.544 1
1 1 . 11 1 1 A 5 5 SER CA C 5 58.376 57.005 1.371 1
1 2 . 11 1 1 A 5 5 SER HA H 5 4.528 5.503 -0.975 1
1 3 . 11 1 1 A 5 5 SER CB C 5 63.813 64.530 -0.717 1
1 5 . 11 1 1 A 5 5 SER C C 5 174.968 173.209 1.759 1
1 6 . 11 1 1 A 6 6 SER N N 6 117.996 118.101 -0.105 1
1 7 . 11 1 1 A 6 6 SER H H 6 8.503 8.668 -0.165 1
1 8 . 11 1 1 A 6 6 SER CA C 6 58.642 57.309 1.333 1
1 9 . 11 1 1 A 6 6 SER HA H 6 4.526 4.796 -0.270 1
1 10 . 11 1 1 A 6 6 SER CB C 6 63.855 66.089 -2.234 1
1 13 . 11 1 1 A 6 6 SER C C 6 175.129 173.542 1.587 1
1 14 . 11 1 1 A 7 7 GLY N N 7 110.904 107.912 2.992 1
1 15 . 11 1 1 A 7 7 GLY H H 7 8.470 8.623 -0.153 1
1 16 . 11 1 1 A 7 7 GLY CA C 7 45.430 45.382 0.048 1
1 17 . 11 1 1 A 7 7 GLY HA2 H 7 4.030 3.944 0.086 1
1 18 . 11 1 1 A 7 7 GLY HA3 H 7 4.030 3.944 0.086 1
1 19 . 11 1 1 A 7 7 GLY C C 7 174.606 174.847 -0.241 1
1 20 . 11 1 1 A 8 8 GLY N N 8 108.942 109.703 -0.761 1
1 21 . 11 1 1 A 8 8 GLY H H 8 8.286 8.553 -0.267 1
1 22 . 11 1 1 A 8 8 GLY CA C 8 45.058 45.739 -0.681 1
1 23 . 11 1 1 A 8 8 GLY HA2 H 8 4.027 4.019 0.008 1
1 24 . 11 1 1 A 8 8 GLY HA3 H 8 4.199 4.020 0.179 1
1 25 . 11 1 1 A 8 8 GLY C C 8 173.943 173.046 0.897 1
1 26 . 11 1 1 A 9 9 SER N N 9 115.435 120.069 -4.634 1
1 27 . 11 1 1 A 9 9 SER H H 9 8.275 8.327 -0.052 1
1 28 . 11 1 1 A 9 9 SER CA C 9 57.847 57.831 0.016 1
1 29 . 11 1 1 A 9 9 SER HA H 9 4.616 4.868 -0.252 1
1 30 . 11 1 1 A 9 9 SER CB C 9 64.102 64.968 -0.866 1
1 33 . 11 1 1 A 9 9 SER C C 9 174.962 174.041 0.921 1
1 34 . 11 1 1 A 10 10 ARG N N 10 126.156 125.045 1.111 1
1 35 . 11 1 1 A 10 10 ARG H H 10 9.427 8.723 0.704 1
1 36 . 11 1 1 A 10 10 ARG CA C 10 56.662 57.502 -0.840 1
1 37 . 11 1 1 A 10 10 ARG HA H 10 4.332 4.345 -0.013 1
1 38 . 11 1 1 A 10 10 ARG CB C 10 30.289 30.764 -0.475 1
1 49 . 11 1 1 A 10 10 ARG C C 10 175.504 176.827 -1.323 1
1 50 . 11 1 1 A 11 11 ILE N N 11 119.127 120.640 -1.513 1
1 51 . 11 1 1 A 11 11 ILE H H 11 8.176 7.634 0.542 1
1 52 . 11 1 1 A 11 11 ILE CA C 11 61.153 61.892 -0.739 1
1 53 . 11 1 1 A 11 11 ILE HA H 11 4.553 4.199 0.354 1
1 54 . 11 1 1 A 11 11 ILE CB C 11 39.949 38.053 1.896 1
1 67 . 11 1 1 A 11 11 ILE C C 11 176.134 174.933 1.201 1
1 68 . 11 1 1 A 12 12 THR N N 12 124.682 123.560 1.122 1
1 69 . 11 1 1 A 12 12 THR H H 12 8.534 8.408 0.126 1
1 70 . 11 1 1 A 12 12 THR CA C 12 61.630 60.892 0.738 1
1 71 . 11 1 1 A 12 12 THR HA H 12 4.359 4.599 -0.240 1
1 72 . 11 1 1 A 12 12 THR CB C 12 70.705 71.439 -0.734 1
1 78 . 11 1 1 A 12 12 THR C C 12 171.804 172.798 -0.994 1
1 79 . 11 1 1 A 13 13 TYR N N 13 124.043 125.841 -1.798 1
1 80 . 11 1 1 A 13 13 TYR H H 13 8.691 8.534 0.157 1
1 81 . 11 1 1 A 13 13 TYR CA C 13 57.846 57.274 0.572 1
1 82 . 11 1 1 A 13 13 TYR HA H 13 5.099 5.264 -0.165 1
1 83 . 11 1 1 A 13 13 TYR CB C 13 39.895 39.864 0.031 1
1 94 . 11 1 1 A 13 13 TYR C C 13 175.924 175.918 0.006 1
1 95 . 11 1 1 A 14 14 VAL N N 14 124.012 122.572 1.440 1
1 96 . 11 1 1 A 14 14 VAL H H 14 8.633 9.176 -0.543 1
1 97 . 11 1 1 A 14 14 VAL CA C 14 60.958 59.914 1.044 1
1 98 . 11 1 1 A 14 14 VAL HA H 14 4.015 4.737 -0.722 1
1 99 . 11 1 1 A 14 14 VAL CB C 14 35.416 35.098 0.318 1
1 109 . 11 1 1 A 14 14 VAL C C 14 173.974 173.722 0.252 1
1 110 . 11 1 1 A 15 15 LYS N N 15 127.960 126.598 1.362 1
1 111 . 11 1 1 A 15 15 LYS H H 15 8.318 8.803 -0.485 1
1 112 . 11 1 1 A 15 15 LYS CA C 15 54.152 54.995 -0.843 1
1 113 . 11 1 1 A 15 15 LYS HA H 15 5.126 5.134 -0.008 1
1 114 . 11 1 1 A 15 15 LYS CB C 15 32.086 34.406 -2.320 1
1 126 . 11 1 1 A 15 15 LYS C C 15 176.050 175.254 0.796 1
1 127 . 11 1 1 A 16 16 GLY N N 16 114.545 112.491 2.054 1
1 128 . 11 1 1 A 16 16 GLY H H 16 8.508 8.241 0.267 1
1 129 . 11 1 1 A 16 16 GLY CA C 16 45.006 43.937 1.069 1
1 130 . 11 1 1 A 16 16 GLY HA2 H 16 4.028 4.105 -0.077 1
1 131 . 11 1 1 A 16 16 GLY HA3 H 16 4.197 4.133 0.064 1
1 132 . 11 1 1 A 16 16 GLY C C 16 170.957 172.986 -2.029 1
1 133 . 11 1 1 A 17 17 ASP N N 17 119.423 121.485 -2.062 1
1 134 . 11 1 1 A 17 17 ASP H H 17 8.271 8.623 -0.352 1
1 135 . 11 1 1 A 17 17 ASP CA C 17 53.164 54.873 -1.709 1
1 136 . 11 1 1 A 17 17 ASP HA H 17 4.407 4.441 -0.034 1
1 137 . 11 1 1 A 17 17 ASP CB C 17 41.912 41.616 0.296 1
1 140 . 11 1 1 A 17 17 ASP C C 17 176.089 175.911 0.178 1
1 141 . 11 1 1 A 18 18 LEU N N 18 130.056 124.050 6.006 1
1 142 . 11 1 1 A 18 18 LEU H H 18 8.304 8.575 -0.271 1
1 143 . 11 1 1 A 18 18 LEU CA C 18 57.156 55.368 1.788 1
1 144 . 11 1 1 A 18 18 LEU HA H 18 2.425 3.570 -1.145 1
1 145 . 11 1 1 A 18 18 LEU CB C 18 42.959 44.006 -1.047 1
1 158 . 11 1 1 A 18 18 LEU C C 18 175.737 177.688 -1.951 1
1 159 . 11 1 1 A 19 19 PHE N N 19 109.678 117.047 -7.369 1
1 160 . 11 1 1 A 19 19 PHE H H 19 7.461 7.375 0.086 1
1 161 . 11 1 1 A 19 19 PHE CA C 19 59.844 59.836 0.008 1
1 162 . 11 1 1 A 19 19 PHE HA H 19 3.920 4.346 -0.426 1
1 163 . 11 1 1 A 19 19 PHE CB C 19 36.735 40.188 -3.453 1
1 176 . 11 1 1 A 19 19 PHE C C 19 175.833 178.257 -2.424 1
1 177 . 11 1 1 A 20 20 ALA N N 20 123.506 122.329 1.177 1
1 178 . 11 1 1 A 20 20 ALA H H 20 7.752 8.264 -0.512 1
1 179 . 11 1 1 A 20 20 ALA CA C 20 51.160 55.059 -3.899 1
1 180 . 11 1 1 A 20 20 ALA HA H 20 4.518 4.057 0.461 1
1 181 . 11 1 1 A 20 20 ALA CB C 20 18.395 18.072 0.323 1
1 185 . 11 1 1 A 20 20 ALA C C 20 176.772 179.774 -3.002 1
1 186 . 11 1 1 A 21 21 CYS N N 21 118.823 116.850 1.973 1
1 187 . 11 1 1 A 21 21 CYS H H 21 7.225 8.091 -0.866 1
1 188 . 11 1 1 A 21 21 CYS CA C 21 56.813 63.597 -6.784 1
1 189 . 11 1 1 A 21 21 CYS HA H 21 4.580 4.147 0.433 1
1 190 . 11 1 1 A 21 21 CYS CB C 21 25.916 26.594 -0.678 1
1 193 . 11 1 1 A 21 21 CYS C C 21 170.919 175.256 -4.337 1
1 194 . 11 1 1 A 22 22 PRO CA C 22 64.000 62.665 1.335 1
1 195 . 11 1 1 A 22 22 PRO HA H 22 4.373 4.475 -0.102 1
1 196 . 11 1 1 A 22 22 PRO CB C 22 31.802 33.329 -1.527 1
1 205 . 11 1 1 A 22 22 PRO C C 22 178.609 176.178 2.431 1
1 206 . 11 1 1 A 23 23 LYS N N 23 122.870 120.508 2.362 1
1 207 . 11 1 1 A 23 23 LYS H H 23 8.785 8.855 -0.070 1
1 208 . 11 1 1 A 23 23 LYS CA C 23 58.671 57.160 1.511 1
1 209 . 11 1 1 A 23 23 LYS HA H 23 4.103 4.476 -0.373 1
1 210 . 11 1 1 A 23 23 LYS CB C 23 32.078 35.534 -3.456 1
1 222 . 11 1 1 A 23 23 LYS C C 23 175.722 177.638 -1.916 1
1 223 . 11 1 1 A 24 24 THR N N 24 102.744 106.333 -3.589 1
1 224 . 11 1 1 A 24 24 THR H H 24 7.097 7.499 -0.402 1
1 225 . 11 1 1 A 24 24 THR CA C 24 61.064 61.644 -0.580 1
1 226 . 11 1 1 A 24 24 THR HA H 24 4.166 4.578 -0.412 1
1 227 . 11 1 1 A 24 24 THR CB C 24 68.805 70.545 -1.740 1
1 233 . 11 1 1 A 24 24 THR C C 24 176.216 174.591 1.625 1
1 234 . 11 1 1 A 25 25 ASP N N 25 125.303 124.492 0.811 1
1 235 . 11 1 1 A 25 25 ASP H H 25 7.768 7.669 0.099 1
1 236 . 11 1 1 A 25 25 ASP CA C 25 55.246 55.129 0.117 1
1 237 . 11 1 1 A 25 25 ASP HA H 25 4.536 4.564 -0.028 1
1 238 . 11 1 1 A 25 25 ASP CB C 25 40.321 41.116 -0.795 1
1 241 . 11 1 1 A 25 25 ASP C C 25 177.718 175.707 2.011 1
1 242 . 11 1 1 A 26 26 SER N N 26 118.303 118.522 -0.219 1
1 243 . 11 1 1 A 26 26 SER H H 26 8.472 8.186 0.286 1
1 244 . 11 1 1 A 26 26 SER CA C 26 61.547 58.162 3.385 1
1 245 . 11 1 1 A 26 26 SER HA H 26 5.138 4.786 0.352 1
1 246 . 11 1 1 A 26 26 SER CB C 26 65.326 65.206 0.120 1
1 249 . 11 1 1 A 26 26 SER C C 26 172.446 173.583 -1.137 1
1 250 . 11 1 1 A 27 27 LEU N N 27 121.957 121.903 0.054 1
1 251 . 11 1 1 A 27 27 LEU H H 27 8.553 8.321 0.232 1
1 252 . 11 1 1 A 27 27 LEU CA C 27 53.919 53.689 0.230 1
1 253 . 11 1 1 A 27 27 LEU HA H 27 6.004 5.779 0.225 1
1 254 . 11 1 1 A 27 27 LEU CB C 27 48.728 45.821 2.907 1
1 267 . 11 1 1 A 27 27 LEU C C 27 176.071 175.782 0.289 1
1 268 . 11 1 1 A 28 28 ALA N N 28 119.120 124.029 -4.909 1
1 269 . 11 1 1 A 28 28 ALA H H 28 8.083 8.469 -0.386 1
1 270 . 11 1 1 A 28 28 ALA CA C 28 50.738 51.615 -0.877 1
1 271 . 11 1 1 A 28 28 ALA HA H 28 5.833 5.374 0.459 1
1 272 . 11 1 1 A 28 28 ALA CB C 28 24.493 22.053 2.440 1
1 276 . 11 1 1 A 28 28 ALA C C 28 174.396 175.251 -0.855 1
1 277 . 11 1 1 A 29 29 HIS N N 29 111.296 123.291 -11.995 1
1 278 . 11 1 1 A 29 29 HIS H H 29 8.042 8.452 -0.410 1
1 279 . 11 1 1 A 29 29 HIS CA C 29 55.617 54.484 1.133 1
1 280 . 11 1 1 A 29 29 HIS HA H 29 4.552 5.137 -0.585 1
1 281 . 11 1 1 A 29 29 HIS CB C 29 31.644 32.840 -1.196 1
1 288 . 11 1 1 A 29 29 HIS C C 29 172.453 173.204 -0.751 1
1 289 . 11 1 1 A 30 30 CYS N N 30 115.842 120.339 -4.497 1
1 290 . 11 1 1 A 30 30 CYS H H 30 8.182 7.701 0.481 1
1 291 . 11 1 1 A 30 30 CYS CA C 30 57.610 57.002 0.608 1
1 292 . 11 1 1 A 30 30 CYS HA H 30 5.489 5.235 0.254 1
1 293 . 11 1 1 A 30 30 CYS CB C 30 30.518 29.145 1.373 1
1 296 . 11 1 1 A 30 30 CYS C C 30 175.085 174.125 0.960 1
1 297 . 11 1 1 A 31 31 ILE N N 31 117.447 121.751 -4.304 1
1 298 . 11 1 1 A 31 31 ILE H H 31 9.209 9.023 0.186 1
1 299 . 11 1 1 A 31 31 ILE CA C 31 60.057 58.890 1.167 1
1 300 . 11 1 1 A 31 31 ILE HA H 31 4.816 5.163 -0.347 1
1 301 . 11 1 1 A 31 31 ILE CB C 31 43.206 42.528 0.678 1
1 314 . 11 1 1 A 31 31 ILE C C 31 173.249 174.884 -1.635 1
1 315 . 11 1 1 A 32 32 SER N N 32 111.596 116.540 -4.944 1
1 316 . 11 1 1 A 32 32 SER H H 32 7.858 8.472 -0.614 1
1 317 . 11 1 1 A 32 32 SER CA C 32 55.599 56.336 -0.737 1
1 318 . 11 1 1 A 32 32 SER HA H 32 5.139 5.290 -0.151 1
1 319 . 11 1 1 A 32 32 SER CB C 32 66.377 66.231 0.146 1
1 322 . 11 1 1 A 32 32 SER C C 32 176.120 176.078 0.042 1
1 323 . 11 1 1 A 33 33 GLU N N 33 118.525 121.050 -2.525 1
1 324 . 11 1 1 A 33 33 GLU H H 33 8.189 8.838 -0.649 1
1 325 . 11 1 1 A 33 33 GLU CA C 33 59.273 60.237 -0.964 1
1 326 . 11 1 1 A 33 33 GLU HA H 33 3.759 3.990 -0.231 1
1 327 . 11 1 1 A 33 33 GLU CB C 33 30.553 29.358 1.195 1
1 333 . 11 1 1 A 33 33 GLU C C 33 177.446 178.160 -0.714 1
1 334 . 11 1 1 A 34 34 ASP N N 34 113.498 118.175 -4.677 1
1 335 . 11 1 1 A 34 34 ASP H H 34 7.480 7.550 -0.070 1
1 336 . 11 1 1 A 34 34 ASP CA C 34 54.511 56.706 -2.195 1
1 337 . 11 1 1 A 34 34 ASP HA H 34 4.342 4.416 -0.074 1
1 338 . 11 1 1 A 34 34 ASP CB C 34 40.374 40.572 -0.198 1
1 341 . 11 1 1 A 34 34 ASP C C 34 175.854 176.321 -0.467 1
1 342 . 11 1 1 A 35 35 CYS N N 35 111.837 115.097 -3.260 1
1 343 . 11 1 1 A 35 35 CYS H H 35 8.327 8.195 0.132 1
1 344 . 11 1 1 A 35 35 CYS CA C 35 61.093 60.585 0.508 1
1 345 . 11 1 1 A 35 35 CYS HA H 35 3.772 4.181 -0.409 1
1 346 . 11 1 1 A 35 35 CYS CB C 35 25.679 25.796 -0.117 1
1 349 . 11 1 1 A 35 35 CYS C C 35 173.370 174.696 -1.326 1
1 350 . 11 1 1 A 36 36 ARG N N 36 117.440 119.028 -1.588 1
1 351 . 11 1 1 A 36 36 ARG H H 36 7.473 8.383 -0.910 1
1 352 . 11 1 1 A 36 36 ARG CA C 36 57.988 55.080 2.908 1
1 353 . 11 1 1 A 36 36 ARG HA H 36 3.981 4.571 -0.590 1
1 354 . 11 1 1 A 36 36 ARG CB C 36 30.430 30.084 0.346 1
1 363 . 11 1 1 A 36 36 ARG C C 36 177.233 175.592 1.641 1
1 364 . 11 1 1 A 37 37 MET CA C 37 56.118 57.273 -1.155 1
1 365 . 11 1 1 A 37 37 MET HA H 37 4.036 4.250 -0.214 1
1 373 . 11 1 1 A 38 38 GLY H H 38 8.192 8.606 -0.414 1
1 374 . 11 1 1 A 38 38 GLY CA C 38 45.670 45.831 -0.161 1
1 375 . 11 1 1 A 38 38 GLY HA2 H 38 4.220 4.178 0.042 1
1 376 . 11 1 1 A 38 38 GLY HA3 H 38 3.595 4.184 -0.589 1
1 377 . 11 1 1 A 38 38 GLY C C 38 173.799 173.127 0.672 1
1 378 . 11 1 1 A 39 39 ALA N N 39 122.002 121.258 0.744 1
1 379 . 11 1 1 A 39 39 ALA H H 39 7.697 7.848 -0.151 1
1 380 . 11 1 1 A 39 39 ALA CA C 39 51.019 51.831 -0.812 1
1 381 . 11 1 1 A 39 39 ALA HA H 39 4.678 4.651 0.027 1
1 382 . 11 1 1 A 39 39 ALA CB C 39 22.608 22.126 0.482 1
1 386 . 11 1 1 A 39 39 ALA C C 39 176.769 177.029 -0.260 1
1 387 . 11 1 1 A 40 40 GLY N N 40 107.149 112.983 -5.834 1
1 388 . 11 1 1 A 40 40 GLY H H 40 8.731 8.964 -0.233 1
1 389 . 11 1 1 A 40 40 GLY CA C 40 45.768 45.785 -0.017 1
1 390 . 11 1 1 A 40 40 GLY HA2 H 40 3.957 3.990 -0.033 1
1 391 . 11 1 1 A 40 40 GLY HA3 H 40 4.220 3.999 0.221 1
1 392 . 11 1 1 A 40 40 GLY C C 40 176.747 175.184 1.563 1
1 393 . 11 1 1 A 41 41 ILE CA C 41 63.397 63.885 -0.488 1
1 394 . 11 1 1 A 41 41 ILE HA H 41 4.312 3.918 0.394 1
1 395 . 11 1 1 A 41 41 ILE CB C 41 38.794 37.608 1.186 1
1 408 . 11 1 1 A 41 41 ILE C C 41 177.249 177.946 -0.697 1
1 409 . 11 1 1 A 42 42 ALA N N 42 124.835 123.391 1.444 1
1 410 . 11 1 1 A 42 42 ALA H H 42 8.629 8.311 0.318 1
1 411 . 11 1 1 A 42 42 ALA CA C 42 55.599 55.502 0.097 1
1 412 . 11 1 1 A 42 42 ALA HA H 42 4.377 3.871 0.506 1
1 413 . 11 1 1 A 42 42 ALA CB C 42 18.155 18.543 -0.388 1
1 417 . 11 1 1 A 42 42 ALA C C 42 179.079 180.186 -1.107 1
1 418 . 11 1 1 A 43 43 VAL N N 43 116.015 118.377 -2.362 1
1 419 . 11 1 1 A 43 43 VAL H H 43 7.363 8.301 -0.938 1
1 420 . 11 1 1 A 43 43 VAL CA C 43 65.623 67.081 -1.458 1
1 421 . 11 1 1 A 43 43 VAL HA H 43 3.822 3.618 0.204 1
1 422 . 11 1 1 A 43 43 VAL CB C 43 32.408 31.564 0.844 1
1 432 . 11 1 1 A 43 43 VAL C C 43 178.285 178.159 0.126 1
1 433 . 11 1 1 A 44 44 LEU N N 44 119.736 119.418 0.318 1
1 434 . 11 1 1 A 44 44 LEU H H 44 7.357 8.317 -0.960 1
1 435 . 11 1 1 A 44 44 LEU CA C 44 57.460 58.291 -0.831 1
1 436 . 11 1 1 A 44 44 LEU HA H 44 3.968 3.832 0.136 1
1 437 . 11 1 1 A 44 44 LEU CB C 44 41.234 41.553 -0.319 1
1 450 . 11 1 1 A 44 44 LEU C C 44 179.972 179.373 0.599 1
1 451 . 11 1 1 A 45 45 PHE N N 45 118.434 117.489 0.945 1
1 452 . 11 1 1 A 45 45 PHE H H 45 7.733 8.412 -0.679 1
1 453 . 11 1 1 A 45 45 PHE CA C 45 63.151 60.611 2.540 1
1 454 . 11 1 1 A 45 45 PHE HA H 45 4.009 4.236 -0.227 1
1 455 . 11 1 1 A 45 45 PHE CB C 45 39.883 38.654 1.229 1
1 468 . 11 1 1 A 45 45 PHE C C 45 180.448 178.043 2.405 1
1 469 . 11 1 1 A 46 46 LYS N N 46 124.749 121.230 3.519 1
1 470 . 11 1 1 A 46 46 LYS H H 46 8.819 8.305 0.514 1
1 471 . 11 1 1 A 46 46 LYS CA C 46 60.958 59.369 1.589 1
1 472 . 11 1 1 A 46 46 LYS HA H 46 4.160 4.096 0.064 1
1 473 . 11 1 1 A 46 46 LYS CB C 46 31.930 31.786 0.144 1
1 485 . 11 1 1 A 46 46 LYS C C 46 179.139 179.175 -0.036 1
1 486 . 11 1 1 A 47 47 LYS N N 47 119.317 118.932 0.385 1
1 487 . 11 1 1 A 47 47 LYS H H 47 8.154 7.932 0.222 1
1 488 . 11 1 1 A 47 47 LYS CA C 47 59.331 58.916 0.415 1
1 489 . 11 1 1 A 47 47 LYS HA H 47 3.939 4.069 -0.130 1
1 490 . 11 1 1 A 47 47 LYS CB C 47 33.065 32.801 0.264 1
1 502 . 11 1 1 A 47 47 LYS C C 47 178.108 179.255 -1.147 1
1 503 . 11 1 1 A 48 48 LYS N N 48 116.005 120.105 -4.100 1
1 504 . 11 1 1 A 48 48 LYS H H 48 7.976 8.022 -0.046 1
1 505 . 11 1 1 A 48 48 LYS CA C 48 58.650 58.439 0.211 1
1 506 . 11 1 1 A 48 48 LYS HA H 48 3.684 3.684 0.000 1
1 507 . 11 1 1 A 48 48 LYS CB C 48 32.372 31.782 0.590 1
1 519 . 11 1 1 A 48 48 LYS C C 48 178.213 177.945 0.268 1
1 520 . 11 1 1 A 49 49 PHE N N 49 112.629 113.328 -0.699 1
1 521 . 11 1 1 A 49 49 PHE H H 49 7.658 7.611 0.047 1
1 522 . 11 1 1 A 49 49 PHE CA C 49 56.958 59.419 -2.461 1
1 523 . 11 1 1 A 49 49 PHE HA H 49 5.028 4.567 0.461 1
1 524 . 11 1 1 A 49 49 PHE CB C 49 40.496 40.256 0.240 1
1 537 . 11 1 1 A 49 49 PHE C C 49 176.188 176.183 0.005 1
1 538 . 11 1 1 A 50 50 GLY N N 50 108.499 106.603 1.896 1
1 539 . 11 1 1 A 50 50 GLY H H 50 7.821 8.132 -0.311 1
1 540 . 11 1 1 A 50 50 GLY CA C 50 46.579 46.993 -0.414 1
1 541 . 11 1 1 A 50 50 GLY HA2 H 50 3.953 3.940 0.013 1
1 542 . 11 1 1 A 50 50 GLY HA3 H 50 3.953 3.984 -0.031 1
1 543 . 11 1 1 A 50 50 GLY C C 50 174.288 175.400 -1.112 1
1 544 . 11 1 1 A 51 51 GLY N N 51 108.968 110.299 -1.331 1
1 545 . 11 1 1 A 51 51 GLY H H 51 8.600 8.157 0.443 1
1 546 . 11 1 1 A 51 51 GLY CA C 51 46.597 45.680 0.917 1
1 547 . 11 1 1 A 51 51 GLY HA2 H 51 3.943 4.307 -0.364 1
1 548 . 11 1 1 A 51 51 GLY HA3 H 51 4.047 4.313 -0.266 1
1 549 . 11 1 1 A 51 51 GLY C C 51 174.522 175.280 -0.758 1
1 550 . 11 1 1 A 52 52 VAL N N 52 118.929 118.928 0.001 1
1 551 . 11 1 1 A 52 52 VAL H H 52 7.980 7.916 0.064 1
1 552 . 11 1 1 A 52 52 VAL CA C 52 68.080 65.615 2.465 1
1 553 . 11 1 1 A 52 52 VAL HA H 52 3.334 3.742 -0.408 1
1 554 . 11 1 1 A 52 52 VAL CB C 52 31.150 31.351 -0.201 1
1 564 . 11 1 1 A 52 52 VAL C C 52 177.566 177.511 0.055 1
1 565 . 11 1 1 A 53 53 GLN N N 53 116.880 121.523 -4.643 1
1 566 . 11 1 1 A 53 53 GLN H H 53 8.513 8.029 0.484 1
1 567 . 11 1 1 A 53 53 GLN CA C 53 58.730 58.636 0.094 1
1 568 . 11 1 1 A 53 53 GLN HA H 53 3.946 4.014 -0.068 1
1 569 . 11 1 1 A 53 53 GLN CB C 53 28.098 28.224 -0.126 1
1 578 . 11 1 1 A 53 53 GLN C C 53 177.916 178.561 -0.645 1
1 579 . 11 1 1 A 54 54 GLU N N 54 119.584 119.595 -0.011 1
1 580 . 11 1 1 A 54 54 GLU H H 54 7.525 8.108 -0.583 1
1 581 . 11 1 1 A 54 54 GLU CA C 54 59.754 59.178 0.576 1
1 582 . 11 1 1 A 54 54 GLU HA H 54 3.980 4.048 -0.068 1
1 583 . 11 1 1 A 54 54 GLU CB C 54 29.509 29.302 0.207 1
1 589 . 11 1 1 A 54 54 GLU C C 54 180.168 179.439 0.729 1
1 590 . 11 1 1 A 55 55 LEU N N 55 121.130 120.446 0.684 1
1 591 . 11 1 1 A 55 55 LEU H H 55 8.437 8.237 0.200 1
1 592 . 11 1 1 A 55 55 LEU CA C 55 58.005 57.402 0.603 1
1 593 . 11 1 1 A 55 55 LEU HA H 55 3.870 3.978 -0.108 1
1 594 . 11 1 1 A 55 55 LEU CB C 55 42.588 41.761 0.827 1
1 607 . 11 1 1 A 55 55 LEU C C 55 180.835 179.385 1.450 1
1 608 . 11 1 1 A 56 56 LEU N N 56 123.508 118.553 4.955 1
1 609 . 11 1 1 A 56 56 LEU H H 56 8.664 7.910 0.754 1
1 610 . 11 1 1 A 56 56 LEU CA C 56 58.397 57.902 0.495 1
1 611 . 11 1 1 A 56 56 LEU HA H 56 3.972 3.834 0.138 1
1 612 . 11 1 1 A 56 56 LEU CB C 56 42.087 41.223 0.864 1
1 625 . 11 1 1 A 56 56 LEU C C 56 181.257 179.235 2.022 1
1 626 . 11 1 1 A 57 57 ASN N N 57 116.946 118.031 -1.085 1
1 627 . 11 1 1 A 57 57 ASN H H 57 8.334 8.246 0.088 1
1 628 . 11 1 1 A 57 57 ASN CA C 57 54.627 56.430 -1.803 1
1 629 . 11 1 1 A 57 57 ASN HA H 57 4.566 4.377 0.189 1
1 630 . 11 1 1 A 57 57 ASN CB C 57 38.170 38.007 0.163 1
1 636 . 11 1 1 A 57 57 ASN C C 57 176.756 178.244 -1.488 1
1 637 . 11 1 1 A 58 58 GLN N N 58 118.214 118.022 0.192 1
1 638 . 11 1 1 A 58 58 GLN H H 58 7.670 7.611 0.059 1
1 639 . 11 1 1 A 58 58 GLN CA C 58 58.022 58.611 -0.589 1
1 640 . 11 1 1 A 58 58 GLN HA H 58 4.184 4.098 0.086 1
1 641 . 11 1 1 A 58 58 GLN CB C 58 28.460 28.615 -0.155 1
1 650 . 11 1 1 A 58 58 GLN C C 58 175.792 175.884 -0.092 1
1 651 . 11 1 1 A 59 59 GLN N N 59 114.113 115.987 -1.874 1
1 652 . 11 1 1 A 59 59 GLN H H 59 7.825 8.225 -0.400 1
1 653 . 11 1 1 A 59 59 GLN CA C 59 56.584 56.881 -0.297 1
1 654 . 11 1 1 A 59 59 GLN HA H 59 4.015 3.826 0.189 1
1 655 . 11 1 1 A 59 59 GLN CB C 59 26.829 26.081 0.748 1
1 664 . 11 1 1 A 59 59 GLN C C 59 175.049 175.048 0.001 1
1 665 . 11 1 1 A 60 60 LYS N N 60 118.472 118.957 -0.485 1
1 666 . 11 1 1 A 60 60 LYS H H 60 9.134 8.139 0.995 1
1 667 . 11 1 1 A 60 60 LYS CA C 60 54.005 56.439 -2.434 1
1 668 . 11 1 1 A 60 60 LYS HA H 60 4.458 4.378 0.080 1
1 669 . 11 1 1 A 60 60 LYS CB C 60 32.573 34.086 -1.513 1
1 681 . 11 1 1 A 60 60 LYS C C 60 176.936 175.341 1.595 1
1 682 . 11 1 1 A 61 61 LYS N N 61 121.877 120.092 1.785 1
1 683 . 11 1 1 A 61 61 LYS H H 61 9.069 8.649 0.420 1
1 684 . 11 1 1 A 61 61 LYS CA C 61 53.421 54.203 -0.782 1
1 685 . 11 1 1 A 61 61 LYS HA H 61 4.517 4.859 -0.342 1
1 686 . 11 1 1 A 61 61 LYS CB C 61 35.816 36.776 -0.960 1
1 698 . 11 1 1 A 61 61 LYS C C 61 175.049 176.217 -1.168 1
1 699 . 11 1 1 A 62 62 SER N N 62 114.153 117.940 -3.787 1
1 700 . 11 1 1 A 62 62 SER H H 62 8.524 8.280 0.244 1
1 701 . 11 1 1 A 62 62 SER CA C 62 60.959 60.557 0.402 1
1 702 . 11 1 1 A 62 62 SER HA H 62 3.954 4.131 -0.177 1
1 703 . 11 1 1 A 62 62 SER CB C 62 64.374 62.917 1.457 1
1 706 . 11 1 1 A 62 62 SER C C 62 175.660 175.571 0.089 1
1 707 . 11 1 1 A 63 63 GLY N N 63 111.615 113.033 -1.418 1
1 708 . 11 1 1 A 63 63 GLY H H 63 9.308 8.082 1.226 1
1 709 . 11 1 1 A 63 63 GLY CA C 63 44.971 45.337 -0.366 1
1 710 . 11 1 1 A 63 63 GLY HA2 H 63 4.188 3.974 0.214 1
1 711 . 11 1 1 A 63 63 GLY HA3 H 63 4.188 3.978 0.210 1
1 712 . 11 1 1 A 63 63 GLY C C 63 172.420 173.303 -0.883 1
1 713 . 11 1 1 A 64 64 GLU N N 64 117.287 121.181 -3.894 1
1 714 . 11 1 1 A 64 64 GLU H H 64 7.909 7.977 -0.068 1
1 715 . 11 1 1 A 64 64 GLU CA C 64 53.972 55.044 -1.072 1
1 716 . 11 1 1 A 64 64 GLU HA H 64 4.549 4.761 -0.212 1
1 717 . 11 1 1 A 64 64 GLU CB C 64 32.449 32.834 -0.385 1
1 723 . 11 1 1 A 64 64 GLU C C 64 174.611 174.650 -0.039 1
1 724 . 11 1 1 A 65 65 VAL N N 65 118.093 122.261 -4.168 1
1 725 . 11 1 1 A 65 65 VAL H H 65 8.337 8.852 -0.515 1
1 726 . 11 1 1 A 65 65 VAL CA C 65 59.380 59.582 -0.202 1
1 727 . 11 1 1 A 65 65 VAL HA H 65 5.149 5.065 0.084 1
1 728 . 11 1 1 A 65 65 VAL CB C 65 35.892 35.035 0.857 1
1 738 . 11 1 1 A 65 65 VAL C C 65 172.013 174.189 -2.176 1
1 739 . 11 1 1 A 66 66 ALA N N 66 130.790 129.478 1.312 1
1 740 . 11 1 1 A 66 66 ALA H H 66 8.876 8.613 0.263 1
1 741 . 11 1 1 A 66 66 ALA CA C 66 50.170 50.602 -0.432 1
1 742 . 11 1 1 A 66 66 ALA HA H 66 4.879 5.449 -0.570 1
1 743 . 11 1 1 A 66 66 ALA CB C 66 21.291 21.655 -0.364 1
1 747 . 11 1 1 A 66 66 ALA C C 66 175.997 176.129 -0.132 1
1 748 . 11 1 1 A 67 67 VAL N N 67 119.453 120.736 -1.283 1
1 749 . 11 1 1 A 67 67 VAL H H 67 8.615 8.902 -0.287 1
1 750 . 11 1 1 A 67 67 VAL CA C 67 61.078 60.956 0.122 1
1 751 . 11 1 1 A 67 67 VAL HA H 67 5.255 5.148 0.107 1
1 752 . 11 1 1 A 67 67 VAL CB C 67 36.283 35.146 1.137 1
1 762 . 11 1 1 A 67 67 VAL C C 67 176.213 174.381 1.832 1
1 763 . 11 1 1 A 68 68 LEU N N 68 126.404 128.921 -2.517 1
1 764 . 11 1 1 A 68 68 LEU H H 68 9.013 8.657 0.356 1
1 765 . 11 1 1 A 68 68 LEU CA C 68 53.424 53.861 -0.437 1
1 766 . 11 1 1 A 68 68 LEU HA H 68 4.809 4.952 -0.143 1
1 767 . 11 1 1 A 68 68 LEU CB C 68 46.473 45.907 0.566 1
1 780 . 11 1 1 A 68 68 LEU C C 68 174.704 174.720 -0.016 1
1 781 . 11 1 1 A 69 69 LYS N N 69 123.462 128.122 -4.660 1
1 782 . 11 1 1 A 69 69 LYS H H 69 8.756 8.856 -0.100 1
1 783 . 11 1 1 A 69 69 LYS CA C 69 55.228 56.166 -0.938 1
1 784 . 11 1 1 A 69 69 LYS HA H 69 4.791 4.928 -0.137 1
1 785 . 11 1 1 A 69 69 LYS CB C 69 33.820 32.951 0.869 1
1 797 . 11 1 1 A 69 69 LYS C C 69 177.387 175.077 2.310 1
1 798 . 11 1 1 A 70 70 ARG N N 70 127.852 125.712 2.140 1
1 799 . 11 1 1 A 70 70 ARG H H 70 8.688 8.210 0.478 1
1 800 . 11 1 1 A 70 70 ARG CA C 70 52.929 54.224 -1.295 1
1 801 . 11 1 1 A 70 70 ARG CB C 70 34.028 33.000 1.028 1
1 809 . 11 1 1 A 70 70 ARG C C 70 175.460 175.915 -0.455 1
1 810 . 11 1 1 A 71 71 ASP CA C 71 55.193 55.009 0.184 1
1 811 . 11 1 1 A 71 71 ASP HA H 71 4.268 4.294 -0.026 1
1 812 . 11 1 1 A 71 71 ASP CB C 71 40.326 39.688 0.638 1
1 815 . 11 1 1 A 71 71 ASP C C 71 175.970 175.503 0.467 1
1 816 . 11 1 1 A 72 72 GLY N N 72 104.319 104.647 -0.328 1
1 817 . 11 1 1 A 72 72 GLY H H 72 8.642 8.644 -0.002 1
1 818 . 11 1 1 A 72 72 GLY CA C 72 45.692 46.714 -1.022 1
1 819 . 11 1 1 A 72 72 GLY HA2 H 72 4.062 3.799 0.263 1
1 820 . 11 1 1 A 72 72 GLY HA3 H 72 3.516 3.831 -0.315 1
1 821 . 11 1 1 A 72 72 GLY C C 72 172.604 173.365 -0.761 1
1 822 . 11 1 1 A 73 73 ARG N N 73 118.257 114.775 3.482 1
1 823 . 11 1 1 A 73 73 ARG H H 73 7.794 7.293 0.501 1
1 824 . 11 1 1 A 73 73 ARG CA C 73 52.893 54.419 -1.526 1
1 825 . 11 1 1 A 73 73 ARG HA H 73 4.560 4.341 0.219 1
1 826 . 11 1 1 A 73 73 ARG CB C 73 31.831 32.241 -0.410 1
1 837 . 11 1 1 A 73 73 ARG C C 73 173.057 172.992 0.065 1
1 838 . 11 1 1 A 74 74 TYR N N 74 117.830 116.789 1.041 1
1 839 . 11 1 1 A 74 74 TYR H H 74 8.366 7.925 0.441 1
1 840 . 11 1 1 A 74 74 TYR CA C 74 57.987 56.413 1.574 1
1 841 . 11 1 1 A 74 74 TYR HA H 74 5.005 5.027 -0.022 1
1 842 . 11 1 1 A 74 74 TYR CB C 74 40.473 39.871 0.602 1
1 853 . 11 1 1 A 74 74 TYR C C 74 173.530 174.449 -0.919 1
1 854 . 11 1 1 A 75 75 ILE N N 75 120.880 125.227 -4.347 1
1 855 . 11 1 1 A 75 75 ILE H H 75 8.923 8.513 0.410 1
1 856 . 11 1 1 A 75 75 ILE CA C 75 59.632 60.717 -1.085 1
1 857 . 11 1 1 A 75 75 ILE HA H 75 4.398 4.296 0.102 1
1 858 . 11 1 1 A 75 75 ILE CB C 75 37.608 38.040 -0.432 1
1 871 . 11 1 1 A 75 75 ILE C C 75 174.203 174.964 -0.761 1
1 872 . 11 1 1 A 76 76 TYR N N 76 125.586 127.185 -1.599 1
1 873 . 11 1 1 A 76 76 TYR H H 76 9.540 9.003 0.537 1
1 874 . 11 1 1 A 76 76 TYR CA C 76 59.137 56.625 2.512 1
1 875 . 11 1 1 A 76 76 TYR HA H 76 4.630 5.659 -1.029 1
1 876 . 11 1 1 A 76 76 TYR CB C 76 39.909 41.470 -1.561 1
1 887 . 11 1 1 A 76 76 TYR C C 76 174.280 174.894 -0.614 1
1 888 . 11 1 1 A 77 77 TYR N N 77 123.524 121.427 2.097 1
1 889 . 11 1 1 A 77 77 TYR H H 77 9.221 8.931 0.290 1
1 890 . 11 1 1 A 77 77 TYR CA C 77 55.476 56.351 -0.875 1
1 891 . 11 1 1 A 77 77 TYR HA H 77 4.155 5.180 -1.025 1
1 892 . 11 1 1 A 77 77 TYR CB C 77 35.926 39.416 -3.490 1
1 903 . 11 1 1 A 77 77 TYR C C 77 174.236 174.993 -0.757 1
1 904 . 11 1 1 A 78 78 LEU N N 78 123.875 125.762 -1.887 1
1 905 . 11 1 1 A 78 78 LEU H H 78 8.948 8.435 0.513 1
1 906 . 11 1 1 A 78 78 LEU CA C 78 55.635 55.918 -0.283 1
1 907 . 11 1 1 A 78 78 LEU HA H 78 4.134 4.335 -0.201 1
1 908 . 11 1 1 A 78 78 LEU CB C 78 40.856 41.808 -0.952 1
1 921 . 11 1 1 A 78 78 LEU C C 78 175.294 176.297 -1.003 1
1 922 . 11 1 1 A 79 79 ILE N N 79 127.986 125.311 2.675 1
1 923 . 11 1 1 A 79 79 ILE H H 79 8.322 8.530 -0.208 1
1 924 . 11 1 1 A 79 79 ILE CA C 79 59.349 60.081 -0.732 1
1 925 . 11 1 1 A 79 79 ILE HA H 79 4.372 4.746 -0.374 1
1 926 . 11 1 1 A 79 79 ILE CB C 79 34.277 38.502 -4.225 1
1 939 . 11 1 1 A 79 79 ILE C C 79 176.505 176.361 0.144 1
1 940 . 11 1 1 A 80 80 THR N N 80 113.978 118.229 -4.251 1
1 941 . 11 1 1 A 80 80 THR H H 80 8.276 8.813 -0.537 1
1 942 . 11 1 1 A 80 80 THR CA C 80 61.646 62.123 -0.477 1
1 943 . 11 1 1 A 80 80 THR HA H 80 4.334 4.621 -0.287 1
1 944 . 11 1 1 A 80 80 THR CB C 80 69.165 70.212 -1.047 1
1 950 . 11 1 1 A 80 80 THR C C 80 172.999 174.415 -1.416 1
1 951 . 11 1 1 A 81 81 LYS N N 81 114.856 119.615 -4.759 1
1 952 . 11 1 1 A 81 81 LYS H H 81 7.512 7.632 -0.120 1
1 953 . 11 1 1 A 81 81 LYS CA C 81 54.894 54.857 0.037 1
1 954 . 11 1 1 A 81 81 LYS HA H 81 4.649 4.763 -0.114 1
1 955 . 11 1 1 A 81 81 LYS CB C 81 34.139 34.742 -0.603 1
1 964 . 11 1 1 A 81 81 LYS C C 81 175.344 176.703 -1.359 1
1 965 . 11 1 1 A 82 82 LYS N N 82 121.209 121.968 -0.759 1
1 966 . 11 1 1 A 82 82 LYS H H 82 9.577 8.827 0.750 1
1 967 . 11 1 1 A 82 82 LYS CA C 82 60.198 58.213 1.985 1
1 968 . 11 1 1 A 82 82 LYS HA H 82 3.884 4.336 -0.452 1
1 969 . 11 1 1 A 82 82 LYS CB C 82 33.603 32.977 0.626 1
1 981 . 11 1 1 A 82 82 LYS C C 82 176.049 177.117 -1.068 1
1 982 . 11 1 1 A 83 83 ARG N N 83 112.456 117.066 -4.610 1
1 983 . 11 1 1 A 83 83 ARG H H 83 6.717 7.851 -1.134 1
1 984 . 11 1 1 A 83 83 ARG CA C 83 52.451 53.941 -1.490 1
1 985 . 11 1 1 A 83 83 ARG HA H 83 4.691 4.833 -0.142 1
1 986 . 11 1 1 A 83 83 ARG CB C 83 32.857 34.243 -1.386 1
1 995 . 11 1 1 A 83 83 ARG C C 83 177.299 176.550 0.749 1
1 996 . 11 1 1 A 84 84 ALA N N 84 124.857 124.703 0.154 1
1 997 . 11 1 1 A 84 84 ALA H H 84 9.290 8.912 0.378 1
1 998 . 11 1 1 A 84 84 ALA CA C 84 56.005 55.699 0.306 1
1 999 . 11 1 1 A 84 84 ALA HA H 84 3.895 4.029 -0.134 1
1 1000 . 11 1 1 A 84 84 ALA CB C 84 19.175 18.288 0.887 1
1 1004 . 11 1 1 A 84 84 ALA C C 84 178.350 179.289 -0.939 1
1 1005 . 11 1 1 A 85 85 SER CA C 85 58.631 61.386 -2.755 1
1 1006 . 11 1 1 A 85 85 SER HA H 85 4.338 3.941 0.397 1
1 1007 . 11 1 1 A 85 85 SER CB C 85 63.277 62.854 0.423 1
1 1010 . 11 1 1 A 85 85 SER C C 85 175.469 174.210 1.259 1
1 1011 . 11 1 1 A 86 86 HIS N N 86 121.978 117.383 4.595 1
1 1012 . 11 1 1 A 86 86 HIS H H 86 7.560 8.006 -0.446 1
1 1013 . 11 1 1 A 86 86 HIS CA C 86 54.468 55.727 -1.259 1
1 1014 . 11 1 1 A 86 86 HIS HA H 86 4.766 4.843 -0.077 1
1 1015 . 11 1 1 A 86 86 HIS CB C 86 33.069 31.542 1.527 1
1 1022 . 11 1 1 A 86 86 HIS C C 86 174.466 175.550 -1.084 1
1 1023 . 11 1 1 A 87 87 LYS N N 87 122.014 121.789 0.225 1
1 1024 . 11 1 1 A 87 87 LYS H H 87 8.693 8.455 0.238 1
1 1025 . 11 1 1 A 87 87 LYS CA C 87 53.283 53.077 0.206 1
1 1026 . 11 1 1 A 87 87 LYS HA H 87 4.792 4.647 0.145 1
1 1027 . 11 1 1 A 87 87 LYS CB C 87 32.803 33.565 -0.762 1
1 1037 . 11 1 1 A 87 87 LYS C C 87 175.072 174.148 0.924 1
1 1038 . 11 1 1 A 88 88 PRO CA C 88 62.515 63.041 -0.526 1
1 1039 . 11 1 1 A 88 88 PRO HA H 88 4.796 4.641 0.155 1
1 1040 . 11 1 1 A 88 88 PRO CB C 88 32.687 31.795 0.892 1
1 1049 . 11 1 1 A 88 88 PRO C C 88 175.319 176.418 -1.099 1
1 1050 . 11 1 1 A 89 89 THR N N 89 107.501 112.721 -5.220 1
1 1051 . 11 1 1 A 89 89 THR H H 89 7.933 8.185 -0.252 1
1 1052 . 11 1 1 A 89 89 THR CA C 89 58.518 59.925 -1.407 1
1 1053 . 11 1 1 A 89 89 THR HA H 89 4.758 4.502 0.256 1
1 1054 . 11 1 1 A 89 89 THR CB C 89 70.861 71.180 -0.319 1
1 1060 . 11 1 1 A 89 89 THR C C 89 175.662 175.740 -0.078 1
1 1061 . 11 1 1 A 90 90 TYR N N 90 120.845 124.043 -3.198 1
1 1062 . 11 1 1 A 90 90 TYR H H 90 8.751 8.745 0.006 1
1 1063 . 11 1 1 A 90 90 TYR CA C 90 63.195 61.037 2.158 1
1 1064 . 11 1 1 A 90 90 TYR HA H 90 4.064 4.170 -0.106 1
1 1065 . 11 1 1 A 90 90 TYR CB C 90 37.372 38.060 -0.688 1
1 1076 . 11 1 1 A 90 90 TYR C C 90 178.063 178.158 -0.095 1
1 1077 . 11 1 1 A 91 91 GLU N N 91 118.210 120.107 -1.897 1
1 1078 . 11 1 1 A 91 91 GLU H H 91 8.857 8.382 0.475 1
1 1079 . 11 1 1 A 91 91 GLU CA C 91 60.312 59.770 0.542 1
1 1080 . 11 1 1 A 91 91 GLU HA H 91 4.114 4.030 0.084 1
1 1081 . 11 1 1 A 91 91 GLU CB C 91 29.276 29.149 0.127 1
1 1087 . 11 1 1 A 91 91 GLU C C 91 178.970 179.389 -0.419 1
1 1088 . 11 1 1 A 92 92 ASN N N 92 117.220 118.281 -1.061 1
1 1089 . 11 1 1 A 92 92 ASN H H 92 7.894 7.722 0.172 1
1 1090 . 11 1 1 A 92 92 ASN CA C 92 55.334 56.404 -1.070 1
1 1091 . 11 1 1 A 92 92 ASN HA H 92 4.696 4.553 0.143 1
1 1092 . 11 1 1 A 92 92 ASN CB C 92 37.704 38.400 -0.696 1
1 1098 . 11 1 1 A 92 92 ASN C C 92 178.155 177.638 0.517 1
1 1099 . 11 1 1 A 93 93 LEU N N 93 121.622 121.262 0.360 1
1 1100 . 11 1 1 A 93 93 LEU H H 93 8.038 8.416 -0.378 1
1 1101 . 11 1 1 A 93 93 LEU CA C 93 58.495 58.858 -0.363 1
1 1102 . 11 1 1 A 93 93 LEU HA H 93 4.092 4.018 0.074 1
1 1103 . 11 1 1 A 93 93 LEU CB C 93 41.383 41.840 -0.457 1
1 1116 . 11 1 1 A 93 93 LEU C C 93 177.808 178.560 -0.752 1
1 1117 . 11 1 1 A 94 94 GLN N N 94 120.352 118.494 1.858 1
1 1118 . 11 1 1 A 94 94 GLN H H 94 8.792 8.349 0.443 1
1 1119 . 11 1 1 A 94 94 GLN CA C 94 61.099 59.347 1.752 1
1 1120 . 11 1 1 A 94 94 GLN HA H 94 3.721 3.990 -0.269 1
1 1121 . 11 1 1 A 94 94 GLN CB C 94 27.560 28.799 -1.239 1
1 1130 . 11 1 1 A 94 94 GLN C C 94 178.042 178.419 -0.377 1
1 1131 . 11 1 1 A 95 95 LYS N N 95 117.824 118.576 -0.752 1
1 1132 . 11 1 1 A 95 95 LYS H H 95 7.803 7.641 0.162 1
1 1133 . 11 1 1 A 95 95 LYS CA C 95 60.222 59.451 0.771 1
1 1134 . 11 1 1 A 95 95 LYS HA H 95 4.012 3.950 0.062 1
1 1135 . 11 1 1 A 95 95 LYS CB C 95 33.168 32.300 0.868 1
1 1147 . 11 1 1 A 95 95 LYS C C 95 179.868 179.385 0.483 1
1 1148 . 11 1 1 A 96 96 SER N N 96 118.301 116.304 1.997 1
1 1149 . 11 1 1 A 96 96 SER H H 96 8.251 8.124 0.127 1
1 1150 . 11 1 1 A 96 96 SER CA C 96 63.668 62.419 1.249 1
1 1151 . 11 1 1 A 96 96 SER HA H 96 3.710 4.134 -0.424 1
1 1152 . 11 1 1 A 96 96 SER CB C 96 62.882 62.789 0.093 1
1 1155 . 11 1 1 A 96 96 SER C C 96 176.400 176.486 -0.086 1
1 1156 . 11 1 1 A 97 97 LEU N N 97 122.701 121.139 1.562 1
1 1157 . 11 1 1 A 97 97 LEU H H 97 8.467 8.367 0.100 1
1 1158 . 11 1 1 A 97 97 LEU CA C 97 58.323 58.030 0.293 1
1 1159 . 11 1 1 A 97 97 LEU HA H 97 3.861 4.066 -0.205 1
1 1160 . 11 1 1 A 97 97 LEU CB C 97 42.995 41.057 1.938 1
1 1173 . 11 1 1 A 97 97 LEU C C 97 178.941 179.608 -0.667 1
1 1174 . 11 1 1 A 98 98 GLU N N 98 119.918 118.762 1.156 1
1 1175 . 11 1 1 A 98 98 GLU H H 98 8.410 8.291 0.119 1
1 1176 . 11 1 1 A 98 98 GLU CA C 98 59.561 59.402 0.159 1
1 1177 . 11 1 1 A 98 98 GLU HA H 98 3.622 3.890 -0.268 1
1 1178 . 11 1 1 A 98 98 GLU CB C 98 29.142 28.574 0.568 1
1 1184 . 11 1 1 A 98 98 GLU C C 98 179.137 178.163 0.974 1
1 1185 . 11 1 1 A 99 99 ALA N N 99 124.193 122.701 1.492 1
1 1186 . 11 1 1 A 99 99 ALA H H 99 8.197 8.094 0.103 1
1 1187 . 11 1 1 A 99 99 ALA CA C 99 55.016 54.281 0.735 1
1 1188 . 11 1 1 A 99 99 ALA HA H 99 4.247 4.186 0.061 1
1 1189 . 11 1 1 A 99 99 ALA CB C 99 17.815 18.850 -1.035 1
1 1193 . 11 1 1 A 99 99 ALA C C 99 181.133 179.431 1.702 1
1 1194 . 11 1 1 A 100 100 MET N N 100 122.009 118.160 3.849 1
1 1195 . 11 1 1 A 100 100 MET H H 100 8.482 8.107 0.375 1
1 1196 . 11 1 1 A 100 100 MET CA C 100 59.826 58.136 1.690 1
1 1197 . 11 1 1 A 100 100 MET HA H 100 3.714 3.929 -0.215 1
1 1198 . 11 1 1 A 100 100 MET CB C 100 32.944 32.129 0.815 1
1 1208 . 11 1 1 A 100 100 MET C C 100 176.658 177.698 -1.040 1
1 1209 . 11 1 1 A 101 101 LYS N N 101 120.991 118.168 2.823 1
1 1210 . 11 1 1 A 101 101 LYS H H 101 8.721 7.425 1.296 1
1 1211 . 11 1 1 A 101 101 LYS CA C 101 60.563 58.824 1.739 1
1 1212 . 11 1 1 A 101 101 LYS HA H 101 3.614 3.954 -0.340 1
1 1213 . 11 1 1 A 101 101 LYS CB C 101 30.759 31.849 -1.090 1
1 1225 . 11 1 1 A 101 101 LYS C C 101 177.419 178.327 -0.908 1
1 1226 . 11 1 1 A 102 102 SER N N 102 111.833 114.579 -2.746 1
1 1227 . 11 1 1 A 102 102 SER H H 102 8.005 7.528 0.477 1
1 1228 . 11 1 1 A 102 102 SER CA C 102 61.993 61.702 0.291 1
1 1229 . 11 1 1 A 102 102 SER HA H 102 4.082 4.078 0.004 1
1 1230 . 11 1 1 A 102 102 SER CB C 102 62.863 63.085 -0.222 1
1 1233 . 11 1 1 A 102 102 SER C C 102 176.601 176.836 -0.235 1
1 1234 . 11 1 1 A 103 103 HIS N N 103 121.793 120.803 0.990 1
1 1235 . 11 1 1 A 103 103 HIS H H 103 7.605 8.105 -0.500 1
1 1236 . 11 1 1 A 103 103 HIS CA C 103 62.090 59.870 2.220 1
1 1237 . 11 1 1 A 103 103 HIS HA H 103 4.000 4.267 -0.267 1
1 1238 . 11 1 1 A 103 103 HIS CB C 103 30.652 29.822 0.830 1
1 1245 . 11 1 1 A 103 103 HIS C C 103 179.129 176.599 2.530 1
1 1246 . 11 1 1 A 104 104 CYS N N 104 119.421 116.548 2.873 1
1 1247 . 11 1 1 A 104 104 CYS H H 104 9.261 8.034 1.227 1
1 1248 . 11 1 1 A 104 104 CYS CA C 104 63.841 63.713 0.128 1
1 1249 . 11 1 1 A 104 104 CYS HA H 104 4.105 4.145 -0.040 1
1 1250 . 11 1 1 A 104 104 CYS CB C 104 27.916 27.088 0.828 1
1 1253 . 11 1 1 A 104 104 CYS C C 104 178.176 177.283 0.893 1
1 1254 . 11 1 1 A 105 105 LEU N N 105 117.129 120.373 -3.244 1
1 1255 . 11 1 1 A 105 105 LEU H H 105 8.331 7.850 0.481 1
1 1256 . 11 1 1 A 105 105 LEU CA C 105 57.262 58.058 -0.796 1
1 1257 . 11 1 1 A 105 105 LEU HA H 105 4.245 3.940 0.305 1
1 1258 . 11 1 1 A 105 105 LEU CB C 105 42.030 41.885 0.145 1
1 1271 . 11 1 1 A 105 105 LEU C C 105 180.635 178.891 1.744 1
1 1272 . 11 1 1 A 106 106 LYS N N 106 118.583 117.014 1.569 1
1 1273 . 11 1 1 A 106 106 LYS H H 106 7.638 8.092 -0.454 1
1 1274 . 11 1 1 A 106 106 LYS CA C 106 58.075 60.166 -2.091 1
1 1275 . 11 1 1 A 106 106 LYS HA H 106 4.140 3.864 0.276 1
1 1276 . 11 1 1 A 106 106 LYS CB C 106 33.191 32.248 0.943 1
1 1288 . 11 1 1 A 106 106 LYS C C 106 177.466 179.136 -1.670 1
1 1289 . 11 1 1 A 107 107 ASN N N 107 113.320 114.930 -1.610 1
1 1290 . 11 1 1 A 107 107 ASN H H 107 7.606 7.868 -0.262 1
1 1291 . 11 1 1 A 107 107 ASN CA C 107 53.813 54.889 -1.076 1
1 1292 . 11 1 1 A 107 107 ASN HA H 107 4.841 4.469 0.372 1
1 1293 . 11 1 1 A 107 107 ASN CB C 107 39.785 38.423 1.362 1
1 1299 . 11 1 1 A 107 107 ASN C C 107 174.443 175.901 -1.458 1
1 1300 . 11 1 1 A 108 108 GLY N N 108 109.386 104.474 4.912 1
1 1301 . 11 1 1 A 108 108 GLY H H 108 7.667 8.004 -0.337 1
1 1302 . 11 1 1 A 108 108 GLY CA C 108 47.252 45.183 2.069 1
1 1303 . 11 1 1 A 108 108 GLY HA2 H 108 4.023 4.101 -0.078 1
1 1304 . 11 1 1 A 108 108 GLY HA3 H 108 4.023 4.114 -0.091 1
1 1305 . 11 1 1 A 108 108 GLY C C 108 174.436 174.253 0.183 1
1 1306 . 11 1 1 A 109 109 VAL N N 109 122.758 120.534 2.224 1
1 1307 . 11 1 1 A 109 109 VAL H H 109 8.480 8.156 0.324 1
1 1308 . 11 1 1 A 109 109 VAL CA C 109 63.788 61.482 2.306 1
1 1309 . 11 1 1 A 109 109 VAL HA H 109 4.094 4.510 -0.416 1
1 1310 . 11 1 1 A 109 109 VAL CB C 109 32.931 34.058 -1.127 1
1 1320 . 11 1 1 A 109 109 VAL C C 109 176.089 176.058 0.031 1
1 1321 . 11 1 1 A 110 110 THR N N 110 115.431 116.474 -1.043 1
1 1322 . 11 1 1 A 110 110 THR H H 110 8.995 8.830 0.165 1
1 1323 . 11 1 1 A 110 110 THR CA C 110 62.045 60.984 1.061 1
1 1324 . 11 1 1 A 110 110 THR HA H 110 4.515 4.767 -0.252 1
1 1325 . 11 1 1 A 110 110 THR CB C 110 70.758 70.422 0.336 1
1 1331 . 11 1 1 A 110 110 THR C C 110 173.700 173.579 0.121 1
1 1332 . 11 1 1 A 111 111 ASP N N 111 123.757 120.927 2.830 1
1 1333 . 11 1 1 A 111 111 ASP H H 111 8.123 7.900 0.223 1
1 1334 . 11 1 1 A 111 111 ASP CA C 111 54.747 52.959 1.788 1
1 1335 . 11 1 1 A 111 111 ASP HA H 111 5.527 5.400 0.127 1
1 1336 . 11 1 1 A 111 111 ASP CB C 111 43.928 43.576 0.352 1
1 1339 . 11 1 1 A 111 111 ASP C C 111 172.807 174.601 -1.794 1
1 1340 . 11 1 1 A 112 112 LEU N N 112 123.145 127.296 -4.151 1
1 1341 . 11 1 1 A 112 112 LEU H H 112 8.671 9.352 -0.681 1
1 1342 . 11 1 1 A 112 112 LEU CA C 112 52.953 53.770 -0.817 1
1 1343 . 11 1 1 A 112 112 LEU HA H 112 5.213 5.285 -0.072 1
1 1344 . 11 1 1 A 112 112 LEU CB C 112 47.875 46.725 1.150 1
1 1357 . 11 1 1 A 112 112 LEU C C 112 176.803 174.155 2.648 1
1 1358 . 11 1 1 A 113 113 SER N N 113 122.973 121.728 1.245 1
1 1359 . 11 1 1 A 113 113 SER H H 113 9.473 8.795 0.678 1
1 1360 . 11 1 1 A 113 113 SER CA C 113 59.207 57.286 1.921 1
1 1361 . 11 1 1 A 113 113 SER HA H 113 6.070 5.651 0.419 1
1 1362 . 11 1 1 A 113 113 SER CB C 113 67.023 66.157 0.866 1
1 1365 . 11 1 1 A 113 113 SER C C 113 172.066 173.302 -1.236 1
1 1366 . 11 1 1 A 114 114 MET N N 114 118.476 121.948 -3.472 1
1 1367 . 11 1 1 A 114 114 MET H H 114 9.080 8.776 0.304 1
1 1368 . 11 1 1 A 114 114 MET CA C 114 54.007 53.276 0.731 1
1 1369 . 11 1 1 A 114 114 MET HA H 114 5.435 5.178 0.257 1
1 1370 . 11 1 1 A 114 114 MET CB C 114 34.867 35.923 -1.056 1
1 1380 . 11 1 1 A 114 114 MET C C 114 172.934 174.389 -1.455 1
1 1381 . 11 1 1 A 115 115 PRO CA C 115 62.262 62.304 -0.042 1
1 1382 . 11 1 1 A 115 115 PRO HA H 115 5.593 4.649 0.944 1
1 1383 . 11 1 1 A 115 115 PRO CB C 115 32.748 33.276 -0.528 1
1 1392 . 11 1 1 A 115 115 PRO C C 115 175.547 176.121 -0.574 1
1 1393 . 11 1 1 A 116 116 ARG N N 116 116.821 120.780 -3.959 1
1 1394 . 11 1 1 A 116 116 ARG H H 116 8.348 8.501 -0.153 1
1 1395 . 11 1 1 A 116 116 ARG CA C 116 55.785 56.198 -0.413 1
1 1396 . 11 1 1 A 116 116 ARG HA H 116 3.896 4.420 -0.524 1
1 1397 . 11 1 1 A 116 116 ARG CB C 116 27.344 30.628 -3.284 1
1 1406 . 11 1 1 A 116 116 ARG C C 116 176.796 176.213 0.583 1
1 1407 . 11 1 1 A 117 117 ILE N N 117 122.887 119.467 3.420 1
1 1408 . 11 1 1 A 117 117 ILE H H 117 7.989 8.554 -0.565 1
1 1409 . 11 1 1 A 117 117 ILE CA C 117 63.148 58.926 4.222 1
1 1410 . 11 1 1 A 117 117 ILE HA H 117 4.028 4.791 -0.763 1
1 1411 . 11 1 1 A 117 117 ILE CB C 117 40.010 40.614 -0.604 1
1 1424 . 11 1 1 A 117 117 ILE C C 117 174.324 175.945 -1.621 1
1 1425 . 11 1 1 A 118 118 GLY N N 118 107.320 113.333 -6.013 1
1 1426 . 11 1 1 A 118 118 GLY H H 118 8.662 8.330 0.332 1
1 1427 . 11 1 1 A 118 118 GLY CA C 118 45.752 46.928 -1.176 1
1 1428 . 11 1 1 A 118 118 GLY HA2 H 118 3.693 4.009 -0.316 1
1 1429 . 11 1 1 A 118 118 GLY HA3 H 118 4.226 4.045 0.181 1
1 1430 . 11 1 1 A 118 118 GLY C C 118 172.861 173.724 -0.863 1
1 1431 . 11 1 1 A 119 119 CYS N N 119 115.336 116.335 -0.999 1
1 1432 . 11 1 1 A 119 119 CYS H H 119 7.445 7.348 0.097 1
1 1433 . 11 1 1 A 119 119 CYS CA C 119 58.753 58.161 0.592 1
1 1434 . 11 1 1 A 119 119 CYS HA H 119 4.831 4.964 -0.133 1
1 1435 . 11 1 1 A 119 119 CYS CB C 119 28.840 30.502 -1.662 1
1 1438 . 11 1 1 A 121 121 LEU CA C 121 57.692 57.636 0.056 1
1 1439 . 11 1 1 A 121 121 LEU HA H 121 4.152 4.032 0.120 1
1 1440 . 11 1 1 A 121 121 LEU CB C 121 41.644 42.014 -0.370 1
1 1453 . 11 1 1 A 123 123 ARG N N 123 107.909 121.900 -13.991 1
1 1454 . 11 1 1 A 123 123 ARG H H 123 7.536 8.723 -1.187 1
1 1455 . 11 1 1 A 123 123 ARG CA C 123 57.775 58.498 -0.723 1
1 1456 . 11 1 1 A 123 123 ARG HA H 123 3.989 4.361 -0.372 1
1 1457 . 11 1 1 A 123 123 ARG CB C 123 28.219 30.785 -2.566 1
1 1466 . 11 1 1 A 123 123 ARG C C 123 176.088 177.289 -1.201 1
1 1467 . 11 1 1 A 124 124 LEU N N 124 118.876 121.389 -2.513 1
1 1468 . 11 1 1 A 124 124 LEU H H 124 8.401 7.557 0.844 1
1 1469 . 11 1 1 A 124 124 LEU CA C 124 54.573 55.366 -0.793 1
1 1470 . 11 1 1 A 124 124 LEU HA H 124 4.533 4.350 0.183 1
1 1471 . 11 1 1 A 124 124 LEU CB C 124 39.785 42.634 -2.849 1
1 1484 . 11 1 1 A 124 124 LEU C C 124 175.551 176.040 -0.489 1
1 1485 . 11 1 1 A 125 125 GLN N N 125 116.713 118.482 -1.769 1
1 1486 . 11 1 1 A 125 125 GLN H H 125 7.779 8.471 -0.692 1
1 1487 . 11 1 1 A 125 125 GLN CA C 125 54.609 54.194 0.415 1
1 1488 . 11 1 1 A 125 125 GLN HA H 125 4.794 5.126 -0.332 1
1 1489 . 11 1 1 A 125 125 GLN CB C 125 30.327 31.386 -1.059 1
1 1498 . 11 1 1 A 125 125 GLN C C 125 177.722 176.047 1.675 1
1 1499 . 11 1 1 A 126 126 TRP N N 126 128.887 126.921 1.966 1
1 1500 . 11 1 1 A 126 126 TRP H H 126 9.755 9.182 0.573 1
1 1501 . 11 1 1 A 126 126 TRP CA C 126 59.962 61.283 -1.321 1
1 1502 . 11 1 1 A 126 126 TRP HA H 126 4.545 4.245 0.300 1
1 1503 . 11 1 1 A 126 126 TRP CB C 126 30.009 30.380 -0.371 1
1 1518 . 11 1 1 A 126 126 TRP C C 126 177.057 178.089 -1.032 1
1 1519 . 11 1 1 A 127 127 GLU N N 127 119.568 118.476 1.092 1
1 1520 . 11 1 1 A 127 127 GLU H H 127 9.946 8.497 1.449 1
1 1521 . 11 1 1 A 127 127 GLU CA C 127 60.623 59.618 1.005 1
1 1522 . 11 1 1 A 127 127 GLU HA H 127 3.780 3.987 -0.207 1
1 1523 . 11 1 1 A 127 127 GLU CB C 127 28.594 29.574 -0.980 1
1 1529 . 11 1 1 A 127 127 GLU C C 127 177.905 179.002 -1.097 1
1 1530 . 11 1 1 A 128 128 ASN N N 128 115.229 117.895 -2.666 1
1 1531 . 11 1 1 A 128 128 ASN H H 128 7.159 7.807 -0.648 1
1 1532 . 11 1 1 A 128 128 ASN CA C 128 55.370 55.752 -0.382 1
1 1533 . 11 1 1 A 128 128 ASN HA H 128 4.446 4.372 0.074 1
1 1534 . 11 1 1 A 128 128 ASN CB C 128 38.522 38.108 0.414 1
1 1540 . 11 1 1 A 128 128 ASN C C 128 177.374 177.650 -0.276 1
1 1541 . 11 1 1 A 129 129 VAL N N 129 122.487 119.418 3.069 1
1 1542 . 11 1 1 A 129 129 VAL H H 129 8.033 7.535 0.498 1
1 1543 . 11 1 1 A 129 129 VAL CA C 129 67.289 66.633 0.656 1
1 1544 . 11 1 1 A 129 129 VAL HA H 129 3.489 3.481 0.008 1
1 1545 . 11 1 1 A 129 129 VAL CB C 129 31.824 31.470 0.354 1
1 1555 . 11 1 1 A 129 129 VAL C C 129 177.209 177.544 -0.335 1
1 1556 . 11 1 1 A 130 130 SER N N 130 115.189 113.557 1.632 1
1 1557 . 11 1 1 A 130 130 SER H H 130 8.550 8.122 0.428 1
1 1558 . 11 1 1 A 130 130 SER CA C 130 61.477 60.619 0.858 1
1 1559 . 11 1 1 A 130 130 SER HA H 130 3.151 3.490 -0.339 1
1 1560 . 11 1 1 A 130 130 SER CB C 130 61.348 61.844 -0.496 1
1 1563 . 11 1 1 A 130 130 SER C C 130 175.971 176.568 -0.597 1
1 1564 . 11 1 1 A 131 131 ALA N N 131 123.596 123.257 0.339 1
1 1565 . 11 1 1 A 131 131 ALA H H 131 6.551 7.618 -1.067 1
1 1566 . 11 1 1 A 131 131 ALA CA C 131 54.947 55.034 -0.087 1
1 1567 . 11 1 1 A 131 131 ALA HA H 131 4.079 3.900 0.179 1
1 1568 . 11 1 1 A 131 131 ALA CB C 131 18.023 17.967 0.056 1
1 1572 . 11 1 1 A 131 131 ALA C C 131 179.947 179.991 -0.044 1
1 1573 . 11 1 1 A 132 132 MET N N 132 119.410 116.310 3.100 1
1 1574 . 11 1 1 A 132 132 MET H H 132 7.442 7.991 -0.549 1
1 1575 . 11 1 1 A 132 132 MET CA C 132 58.917 58.557 0.360 1
1 1576 . 11 1 1 A 132 132 MET HA H 132 4.118 4.114 0.004 1
1 1577 . 11 1 1 A 132 132 MET CB C 132 33.984 32.696 1.288 1
1 1587 . 11 1 1 A 132 132 MET C C 132 178.019 178.680 -0.661 1
1 1588 . 11 1 1 A 133 133 ILE N N 133 120.265 119.491 0.774 1
1 1589 . 11 1 1 A 133 133 ILE H H 133 8.554 7.987 0.567 1
1 1590 . 11 1 1 A 133 133 ILE CA C 133 66.859 64.931 1.928 1
1 1591 . 11 1 1 A 133 133 ILE HA H 133 3.470 3.768 -0.298 1
1 1592 . 11 1 1 A 133 133 ILE CB C 133 38.240 37.008 1.232 1
1 1605 . 11 1 1 A 133 133 ILE C C 133 177.949 178.622 -0.673 1
1 1606 . 11 1 1 A 134 134 GLU N N 134 117.011 121.867 -4.856 1
1 1607 . 11 1 1 A 134 134 GLU H H 134 8.106 8.200 -0.094 1
1 1608 . 11 1 1 A 134 134 GLU CA C 134 59.844 59.315 0.529 1
1 1609 . 11 1 1 A 134 134 GLU HA H 134 3.919 4.158 -0.239 1
1 1610 . 11 1 1 A 134 134 GLU CB C 134 29.024 29.851 -0.827 1
1 1616 . 11 1 1 A 134 134 GLU C C 134 178.982 179.191 -0.209 1
1 1617 . 11 1 1 A 135 135 GLU N N 135 118.619 118.832 -0.213 1
1 1618 . 11 1 1 A 135 135 GLU H H 135 7.848 8.565 -0.717 1
1 1619 . 11 1 1 A 135 135 GLU CA C 135 59.438 59.344 0.094 1
1 1620 . 11 1 1 A 135 135 GLU HA H 135 4.090 4.088 0.002 1
1 1621 . 11 1 1 A 135 135 GLU CB C 135 29.948 29.313 0.635 1
1 1627 . 11 1 1 A 135 135 GLU C C 135 179.547 178.950 0.597 1
1 1628 . 11 1 1 A 136 136 VAL N N 136 119.915 121.470 -1.555 1
1 1629 . 11 1 1 A 136 136 VAL H H 136 8.793 7.972 0.821 1
1 1630 . 11 1 1 A 136 136 VAL CA C 136 66.122 66.309 -0.187 1
1 1631 . 11 1 1 A 136 136 VAL HA H 136 3.578 3.655 -0.077 1
1 1632 . 11 1 1 A 136 136 VAL CB C 136 31.990 31.935 0.055 1
1 1642 . 11 1 1 A 136 136 VAL C C 136 177.646 177.385 0.261 1
1 1643 . 11 1 1 A 137 137 PHE N N 137 111.913 117.639 -5.726 1
1 1644 . 11 1 1 A 137 137 PHE H H 137 8.009 7.756 0.253 1
1 1645 . 11 1 1 A 137 137 PHE CA C 137 59.545 59.725 -0.180 1
1 1646 . 11 1 1 A 137 137 PHE HA H 137 4.197 4.796 -0.599 1
1 1647 . 11 1 1 A 137 137 PHE CB C 137 38.105 38.195 -0.090 1
1 1660 . 11 1 1 A 138 138 GLU N N 138 123.997 119.009 4.988 1
1 1661 . 11 1 1 A 138 138 GLU H H 138 7.268 8.555 -1.287 1
1 1662 . 11 1 1 A 138 138 GLU CA C 138 59.222 59.019 0.203 1
1 1663 . 11 1 1 A 138 138 GLU HA H 138 4.161 4.162 -0.001 1
1 1664 . 11 1 1 A 138 138 GLU CB C 138 29.644 28.868 0.776 1
1 1670 . 11 1 1 A 139 139 ALA N N 139 121.713 120.588 1.125 1
1 1671 . 11 1 1 A 139 139 ALA H H 139 8.830 7.911 0.919 1
1 1672 . 11 1 1 A 139 139 ALA CA C 139 52.894 51.375 1.519 1
1 1673 . 11 1 1 A 139 139 ALA HA H 139 4.334 4.440 -0.106 1
1 1674 . 11 1 1 A 139 139 ALA CB C 139 17.362 19.220 -1.858 1
1 1678 . 11 1 1 A 139 139 ALA C C 139 176.943 176.394 0.549 1
1 1679 . 11 1 1 A 140 140 THR N N 140 107.901 108.240 -0.339 1
1 1680 . 11 1 1 A 140 140 THR H H 140 7.809 7.857 -0.048 1
1 1681 . 11 1 1 A 140 140 THR CA C 140 61.013 59.309 1.704 1
1 1682 . 11 1 1 A 140 140 THR HA H 140 4.164 4.705 -0.541 1
1 1683 . 11 1 1 A 140 140 THR CB C 140 72.698 72.529 0.169 1
1 1689 . 11 1 1 A 140 140 THR C C 140 174.222 174.097 0.125 1
1 1690 . 11 1 1 A 141 141 ASP N N 141 120.212 120.093 0.119 1
1 1691 . 11 1 1 A 141 141 ASP H H 141 8.959 8.648 0.311 1
1 1692 . 11 1 1 A 141 141 ASP CA C 141 53.333 55.145 -1.812 1
1 1693 . 11 1 1 A 141 141 ASP HA H 141 4.991 4.678 0.313 1
1 1694 . 11 1 1 A 141 141 ASP CB C 141 40.660 41.590 -0.930 1
1 1697 . 11 1 1 A 141 141 ASP C C 141 175.403 176.863 -1.460 1
1 1698 . 11 1 1 A 142 142 ILE N N 142 120.815 122.005 -1.190 1
1 1699 . 11 1 1 A 142 142 ILE H H 142 7.444 7.345 0.099 1
1 1700 . 11 1 1 A 142 142 ILE CA C 142 62.338 62.388 -0.050 1
1 1701 . 11 1 1 A 142 142 ILE HA H 142 4.131 4.052 0.079 1
1 1702 . 11 1 1 A 142 142 ILE CB C 142 38.703 38.281 0.422 1
1 1715 . 11 1 1 A 142 142 ILE C C 142 175.399 175.667 -0.268 1
1 1716 . 11 1 1 A 143 143 LYS N N 143 129.106 126.823 2.283 1
1 1717 . 11 1 1 A 143 143 LYS H H 143 8.588 9.130 -0.542 1
1 1718 . 11 1 1 A 143 143 LYS CA C 143 55.725 55.026 0.699 1
1 1719 . 11 1 1 A 143 143 LYS HA H 143 4.444 4.886 -0.442 1
1 1720 . 11 1 1 A 143 143 LYS CB C 143 33.768 34.877 -1.109 1
1 1732 . 11 1 1 A 143 143 LYS C C 143 174.820 175.085 -0.265 1
1 1733 . 11 1 1 A 144 144 ILE N N 144 122.496 124.644 -2.148 1
1 1734 . 11 1 1 A 144 144 ILE H H 144 7.884 8.968 -1.084 1
1 1735 . 11 1 1 A 144 144 ILE CA C 144 59.861 59.959 -0.098 1
1 1736 . 11 1 1 A 144 144 ILE HA H 144 4.937 5.255 -0.318 1
1 1737 . 11 1 1 A 144 144 ILE CB C 144 40.518 39.831 0.687 1
1 1750 . 11 1 1 A 144 144 ILE C C 144 175.232 175.158 0.074 1
1 1751 . 11 1 1 A 145 145 THR N N 145 126.667 124.616 2.051 1
1 1752 . 11 1 1 A 145 145 THR H H 145 9.100 9.073 0.027 1
1 1753 . 11 1 1 A 145 145 THR CA C 145 61.374 61.827 -0.453 1
1 1754 . 11 1 1 A 145 145 THR HA H 145 4.992 4.918 0.074 1
1 1755 . 11 1 1 A 145 145 THR CB C 145 68.907 70.474 -1.567 1
1 1761 . 11 1 1 A 145 145 THR C C 145 173.158 173.298 -0.140 1
1 1762 . 11 1 1 A 146 146 VAL N N 146 127.717 127.959 -0.242 1
1 1763 . 11 1 1 A 146 146 VAL H H 146 8.818 9.228 -0.410 1
1 1764 . 11 1 1 A 146 146 VAL CA C 146 59.930 61.244 -1.314 1
1 1765 . 11 1 1 A 146 146 VAL HA H 146 5.053 4.801 0.252 1
1 1766 . 11 1 1 A 146 146 VAL CB C 146 32.906 32.178 0.728 1
1 1776 . 11 1 1 A 146 146 VAL C C 146 175.653 175.063 0.590 1
1 1777 . 11 1 1 A 147 147 TYR N N 147 129.304 127.236 2.068 1
1 1778 . 11 1 1 A 147 147 TYR H H 147 8.926 9.064 -0.138 1
1 1779 . 11 1 1 A 147 147 TYR CA C 147 57.290 57.511 -0.221 1
1 1780 . 11 1 1 A 147 147 TYR HA H 147 5.283 5.158 0.125 1
1 1781 . 11 1 1 A 147 147 TYR CB C 147 40.422 40.423 -0.001 1
1 1792 . 11 1 1 A 147 147 TYR C C 147 177.250 175.578 1.672 1
1 1793 . 11 1 1 A 148 148 THR N N 148 116.883 114.079 2.804 1
1 1794 . 11 1 1 A 148 148 THR H H 148 8.607 9.241 -0.634 1
1 1795 . 11 1 1 A 148 148 THR CA C 148 61.560 60.635 0.925 1
1 1796 . 11 1 1 A 148 148 THR HA H 148 4.431 5.021 -0.590 1
1 1797 . 11 1 1 A 148 148 THR CB C 148 70.966 70.867 0.099 1
1 1803 . 11 1 1 A 148 148 THR C C 148 172.797 173.799 -1.002 1
1 1 . 12 1 1 A 5 5 SER CA C 5 58.376 57.398 0.978 1
1 2 . 12 1 1 A 5 5 SER HA H 5 4.528 4.904 -0.376 1
1 3 . 12 1 1 A 5 5 SER CB C 5 63.813 65.072 -1.259 1
1 5 . 12 1 1 A 5 5 SER C C 5 174.968 172.073 2.895 1
1 6 . 12 1 1 A 6 6 SER N N 6 117.996 116.776 1.220 1
1 7 . 12 1 1 A 6 6 SER H H 6 8.503 8.697 -0.194 1
1 8 . 12 1 1 A 6 6 SER CA C 6 58.642 57.387 1.255 1
1 9 . 12 1 1 A 6 6 SER HA H 6 4.526 4.744 -0.218 1
1 10 . 12 1 1 A 6 6 SER CB C 6 63.855 63.667 0.188 1
1 13 . 12 1 1 A 6 6 SER C C 6 175.129 174.665 0.464 1
1 14 . 12 1 1 A 7 7 GLY N N 7 110.904 116.913 -6.009 1
1 15 . 12 1 1 A 7 7 GLY H H 7 8.470 8.507 -0.037 1
1 16 . 12 1 1 A 7 7 GLY CA C 7 45.430 47.103 -1.673 1
1 17 . 12 1 1 A 7 7 GLY HA2 H 7 4.030 3.862 0.168 1
1 18 . 12 1 1 A 7 7 GLY HA3 H 7 4.030 3.862 0.168 1
1 19 . 12 1 1 A 7 7 GLY C C 7 174.606 175.013 -0.407 1
1 20 . 12 1 1 A 8 8 GLY N N 8 108.942 113.819 -4.877 1
1 21 . 12 1 1 A 8 8 GLY H H 8 8.286 8.660 -0.374 1
1 22 . 12 1 1 A 8 8 GLY CA C 8 45.058 46.903 -1.845 1
1 23 . 12 1 1 A 8 8 GLY HA2 H 8 4.027 3.950 0.077 1
1 24 . 12 1 1 A 8 8 GLY HA3 H 8 4.199 3.950 0.249 1
1 25 . 12 1 1 A 8 8 GLY C C 8 173.943 173.630 0.313 1
1 26 . 12 1 1 A 9 9 SER N N 9 115.435 118.184 -2.749 1
1 27 . 12 1 1 A 9 9 SER H H 9 8.275 7.959 0.316 1
1 28 . 12 1 1 A 9 9 SER CA C 9 57.847 57.375 0.472 1
1 29 . 12 1 1 A 9 9 SER HA H 9 4.616 5.079 -0.463 1
1 30 . 12 1 1 A 9 9 SER CB C 9 64.102 66.856 -2.754 1
1 33 . 12 1 1 A 9 9 SER C C 9 174.962 173.591 1.371 1
1 34 . 12 1 1 A 10 10 ARG N N 10 126.156 120.359 5.797 1
1 35 . 12 1 1 A 10 10 ARG H H 10 9.427 8.695 0.732 1
1 36 . 12 1 1 A 10 10 ARG CA C 10 56.662 56.755 -0.093 1
1 37 . 12 1 1 A 10 10 ARG HA H 10 4.332 4.476 -0.144 1
1 38 . 12 1 1 A 10 10 ARG CB C 10 30.289 31.780 -1.491 1
1 49 . 12 1 1 A 10 10 ARG C C 10 175.504 176.715 -1.211 1
1 50 . 12 1 1 A 11 11 ILE N N 11 119.127 120.647 -1.520 1
1 51 . 12 1 1 A 11 11 ILE H H 11 8.176 7.399 0.777 1
1 52 . 12 1 1 A 11 11 ILE CA C 11 61.153 62.228 -1.075 1
1 53 . 12 1 1 A 11 11 ILE HA H 11 4.553 3.858 0.695 1
1 54 . 12 1 1 A 11 11 ILE CB C 11 39.949 37.741 2.208 1
1 67 . 12 1 1 A 11 11 ILE C C 11 176.134 175.294 0.840 1
1 68 . 12 1 1 A 12 12 THR N N 12 124.682 123.057 1.625 1
1 69 . 12 1 1 A 12 12 THR H H 12 8.534 8.308 0.226 1
1 70 . 12 1 1 A 12 12 THR CA C 12 61.630 61.145 0.485 1
1 71 . 12 1 1 A 12 12 THR HA H 12 4.359 4.836 -0.477 1
1 72 . 12 1 1 A 12 12 THR CB C 12 70.705 70.928 -0.223 1
1 78 . 12 1 1 A 12 12 THR C C 12 171.804 173.251 -1.447 1
1 79 . 12 1 1 A 13 13 TYR N N 13 124.043 126.181 -2.138 1
1 80 . 12 1 1 A 13 13 TYR H H 13 8.691 8.645 0.046 1
1 81 . 12 1 1 A 13 13 TYR CA C 13 57.846 57.198 0.648 1
1 82 . 12 1 1 A 13 13 TYR HA H 13 5.099 5.498 -0.399 1
1 83 . 12 1 1 A 13 13 TYR CB C 13 39.895 40.076 -0.181 1
1 94 . 12 1 1 A 13 13 TYR C C 13 175.924 175.426 0.498 1
1 95 . 12 1 1 A 14 14 VAL N N 14 124.012 121.769 2.243 1
1 96 . 12 1 1 A 14 14 VAL H H 14 8.633 8.883 -0.250 1
1 97 . 12 1 1 A 14 14 VAL CA C 14 60.958 59.570 1.388 1
1 98 . 12 1 1 A 14 14 VAL HA H 14 4.015 4.714 -0.699 1
1 99 . 12 1 1 A 14 14 VAL CB C 14 35.416 35.154 0.262 1
1 109 . 12 1 1 A 14 14 VAL C C 14 173.974 173.711 0.263 1
1 110 . 12 1 1 A 15 15 LYS N N 15 127.960 126.563 1.397 1
1 111 . 12 1 1 A 15 15 LYS H H 15 8.318 8.786 -0.468 1
1 112 . 12 1 1 A 15 15 LYS CA C 15 54.152 54.922 -0.770 1
1 113 . 12 1 1 A 15 15 LYS HA H 15 5.126 5.000 0.126 1
1 114 . 12 1 1 A 15 15 LYS CB C 15 32.086 34.602 -2.516 1
1 126 . 12 1 1 A 15 15 LYS C C 15 176.050 175.268 0.782 1
1 127 . 12 1 1 A 16 16 GLY N N 16 114.545 112.682 1.863 1
1 128 . 12 1 1 A 16 16 GLY H H 16 8.508 8.322 0.186 1
1 129 . 12 1 1 A 16 16 GLY CA C 16 45.006 44.003 1.003 1
1 130 . 12 1 1 A 16 16 GLY HA2 H 16 4.028 4.108 -0.080 1
1 131 . 12 1 1 A 16 16 GLY HA3 H 16 4.197 4.139 0.058 1
1 132 . 12 1 1 A 16 16 GLY C C 16 170.957 173.002 -2.045 1
1 133 . 12 1 1 A 17 17 ASP N N 17 119.423 122.232 -2.809 1
1 134 . 12 1 1 A 17 17 ASP H H 17 8.271 8.703 -0.432 1
1 135 . 12 1 1 A 17 17 ASP CA C 17 53.164 55.076 -1.912 1
1 136 . 12 1 1 A 17 17 ASP HA H 17 4.407 4.400 0.007 1
1 137 . 12 1 1 A 17 17 ASP CB C 17 41.912 41.742 0.170 1
1 140 . 12 1 1 A 17 17 ASP C C 17 176.089 176.036 0.053 1
1 141 . 12 1 1 A 18 18 LEU N N 18 130.056 124.047 6.009 1
1 142 . 12 1 1 A 18 18 LEU H H 18 8.304 8.563 -0.259 1
1 143 . 12 1 1 A 18 18 LEU CA C 18 57.156 55.479 1.677 1
1 144 . 12 1 1 A 18 18 LEU HA H 18 2.425 3.812 -1.387 1
1 145 . 12 1 1 A 18 18 LEU CB C 18 42.959 44.541 -1.582 1
1 158 . 12 1 1 A 18 18 LEU C C 18 175.737 178.025 -2.288 1
1 159 . 12 1 1 A 19 19 PHE N N 19 109.678 116.893 -7.215 1
1 160 . 12 1 1 A 19 19 PHE H H 19 7.461 7.429 0.032 1
1 161 . 12 1 1 A 19 19 PHE CA C 19 59.844 59.618 0.226 1
1 162 . 12 1 1 A 19 19 PHE HA H 19 3.920 4.401 -0.481 1
1 163 . 12 1 1 A 19 19 PHE CB C 19 36.735 40.404 -3.669 1
1 176 . 12 1 1 A 19 19 PHE C C 19 175.833 177.140 -1.307 1
1 177 . 12 1 1 A 20 20 ALA N N 20 123.506 122.062 1.444 1
1 178 . 12 1 1 A 20 20 ALA H H 20 7.752 7.915 -0.163 1
1 179 . 12 1 1 A 20 20 ALA CA C 20 51.160 53.757 -2.597 1
1 180 . 12 1 1 A 20 20 ALA HA H 20 4.518 4.189 0.329 1
1 181 . 12 1 1 A 20 20 ALA CB C 20 18.395 18.966 -0.571 1
1 185 . 12 1 1 A 20 20 ALA C C 20 176.772 179.725 -2.953 1
1 186 . 12 1 1 A 21 21 CYS N N 21 118.823 115.504 3.319 1
1 187 . 12 1 1 A 21 21 CYS H H 21 7.225 7.871 -0.646 1
1 188 . 12 1 1 A 21 21 CYS CA C 21 56.813 63.571 -6.758 1
1 189 . 12 1 1 A 21 21 CYS HA H 21 4.580 4.169 0.411 1
1 190 . 12 1 1 A 21 21 CYS CB C 21 25.916 27.520 -1.604 1
1 193 . 12 1 1 A 21 21 CYS C C 21 170.919 175.400 -4.481 1
1 194 . 12 1 1 A 22 22 PRO CA C 22 64.000 62.990 1.010 1
1 195 . 12 1 1 A 22 22 PRO HA H 22 4.373 4.541 -0.168 1
1 196 . 12 1 1 A 22 22 PRO CB C 22 31.802 31.976 -0.174 1
1 205 . 12 1 1 A 22 22 PRO C C 22 178.609 176.604 2.005 1
1 206 . 12 1 1 A 23 23 LYS N N 23 122.870 123.026 -0.156 1
1 207 . 12 1 1 A 23 23 LYS H H 23 8.785 8.798 -0.013 1
1 208 . 12 1 1 A 23 23 LYS CA C 23 58.671 58.061 0.610 1
1 209 . 12 1 1 A 23 23 LYS HA H 23 4.103 4.398 -0.295 1
1 210 . 12 1 1 A 23 23 LYS CB C 23 32.078 33.499 -1.421 1
1 222 . 12 1 1 A 23 23 LYS C C 23 175.722 177.596 -1.874 1
1 223 . 12 1 1 A 24 24 THR N N 24 102.744 106.034 -3.290 1
1 224 . 12 1 1 A 24 24 THR H H 24 7.097 7.517 -0.420 1
1 225 . 12 1 1 A 24 24 THR CA C 24 61.064 61.644 -0.580 1
1 226 . 12 1 1 A 24 24 THR HA H 24 4.166 4.583 -0.417 1
1 227 . 12 1 1 A 24 24 THR CB C 24 68.805 70.673 -1.868 1
1 233 . 12 1 1 A 24 24 THR C C 24 176.216 174.641 1.575 1
1 234 . 12 1 1 A 25 25 ASP N N 25 125.303 124.239 1.064 1
1 235 . 12 1 1 A 25 25 ASP H H 25 7.768 7.714 0.054 1
1 236 . 12 1 1 A 25 25 ASP CA C 25 55.246 54.979 0.267 1
1 237 . 12 1 1 A 25 25 ASP HA H 25 4.536 4.524 0.012 1
1 238 . 12 1 1 A 25 25 ASP CB C 25 40.321 40.999 -0.678 1
1 241 . 12 1 1 A 25 25 ASP C C 25 177.718 175.853 1.865 1
1 242 . 12 1 1 A 26 26 SER N N 26 118.303 118.497 -0.194 1
1 243 . 12 1 1 A 26 26 SER H H 26 8.472 8.596 -0.124 1
1 244 . 12 1 1 A 26 26 SER CA C 26 61.547 58.405 3.142 1
1 245 . 12 1 1 A 26 26 SER HA H 26 5.138 4.547 0.591 1
1 246 . 12 1 1 A 26 26 SER CB C 26 65.326 64.411 0.915 1
1 249 . 12 1 1 A 26 26 SER C C 26 172.446 173.684 -1.238 1
1 250 . 12 1 1 A 27 27 LEU N N 27 121.957 121.947 0.010 1
1 251 . 12 1 1 A 27 27 LEU H H 27 8.553 8.122 0.431 1
1 252 . 12 1 1 A 27 27 LEU CA C 27 53.919 53.523 0.396 1
1 253 . 12 1 1 A 27 27 LEU HA H 27 6.004 5.738 0.266 1
1 254 . 12 1 1 A 27 27 LEU CB C 27 48.728 45.597 3.131 1
1 267 . 12 1 1 A 27 27 LEU C C 27 176.071 175.724 0.347 1
1 268 . 12 1 1 A 28 28 ALA N N 28 119.120 122.968 -3.848 1
1 269 . 12 1 1 A 28 28 ALA H H 28 8.083 8.866 -0.783 1
1 270 . 12 1 1 A 28 28 ALA CA C 28 50.738 50.685 0.053 1
1 271 . 12 1 1 A 28 28 ALA HA H 28 5.833 5.456 0.377 1
1 272 . 12 1 1 A 28 28 ALA CB C 28 24.493 23.825 0.668 1
1 276 . 12 1 1 A 28 28 ALA C C 28 174.396 175.567 -1.171 1
1 277 . 12 1 1 A 29 29 HIS N N 29 111.296 120.286 -8.990 1
1 278 . 12 1 1 A 29 29 HIS H H 29 8.042 8.250 -0.208 1
1 279 . 12 1 1 A 29 29 HIS CA C 29 55.617 56.204 -0.587 1
1 280 . 12 1 1 A 29 29 HIS HA H 29 4.552 4.821 -0.269 1
1 281 . 12 1 1 A 29 29 HIS CB C 29 31.644 32.188 -0.544 1
1 288 . 12 1 1 A 29 29 HIS C C 29 172.453 173.104 -0.651 1
1 289 . 12 1 1 A 30 30 CYS N N 30 115.842 121.384 -5.542 1
1 290 . 12 1 1 A 30 30 CYS H H 30 8.182 7.555 0.627 1
1 291 . 12 1 1 A 30 30 CYS CA C 30 57.610 57.153 0.457 1
1 292 . 12 1 1 A 30 30 CYS HA H 30 5.489 5.244 0.245 1
1 293 . 12 1 1 A 30 30 CYS CB C 30 30.518 28.890 1.628 1
1 296 . 12 1 1 A 30 30 CYS C C 30 175.085 174.134 0.951 1
1 297 . 12 1 1 A 31 31 ILE N N 31 117.447 120.720 -3.273 1
1 298 . 12 1 1 A 31 31 ILE H H 31 9.209 9.072 0.137 1
1 299 . 12 1 1 A 31 31 ILE CA C 31 60.057 58.996 1.061 1
1 300 . 12 1 1 A 31 31 ILE HA H 31 4.816 5.115 -0.299 1
1 301 . 12 1 1 A 31 31 ILE CB C 31 43.206 42.574 0.632 1
1 314 . 12 1 1 A 31 31 ILE C C 31 173.249 174.825 -1.576 1
1 315 . 12 1 1 A 32 32 SER N N 32 111.596 116.529 -4.933 1
1 316 . 12 1 1 A 32 32 SER H H 32 7.858 8.395 -0.537 1
1 317 . 12 1 1 A 32 32 SER CA C 32 55.599 56.398 -0.799 1
1 318 . 12 1 1 A 32 32 SER HA H 32 5.139 5.178 -0.039 1
1 319 . 12 1 1 A 32 32 SER CB C 32 66.377 66.132 0.245 1
1 322 . 12 1 1 A 32 32 SER C C 32 176.120 176.077 0.043 1
1 323 . 12 1 1 A 33 33 GLU N N 33 118.525 121.002 -2.477 1
1 324 . 12 1 1 A 33 33 GLU H H 33 8.189 8.956 -0.767 1
1 325 . 12 1 1 A 33 33 GLU CA C 33 59.273 59.507 -0.234 1
1 326 . 12 1 1 A 33 33 GLU HA H 33 3.759 4.001 -0.242 1
1 327 . 12 1 1 A 33 33 GLU CB C 33 30.553 29.188 1.365 1
1 333 . 12 1 1 A 33 33 GLU C C 33 177.446 178.083 -0.637 1
1 334 . 12 1 1 A 34 34 ASP N N 34 113.498 119.162 -5.664 1
1 335 . 12 1 1 A 34 34 ASP H H 34 7.480 7.594 -0.114 1
1 336 . 12 1 1 A 34 34 ASP CA C 34 54.511 57.266 -2.755 1
1 337 . 12 1 1 A 34 34 ASP HA H 34 4.342 4.366 -0.024 1
1 338 . 12 1 1 A 34 34 ASP CB C 34 40.374 40.706 -0.332 1
1 341 . 12 1 1 A 34 34 ASP C C 34 175.854 176.110 -0.256 1
1 342 . 12 1 1 A 35 35 CYS N N 35 111.837 116.638 -4.801 1
1 343 . 12 1 1 A 35 35 CYS H H 35 8.327 8.281 0.046 1
1 344 . 12 1 1 A 35 35 CYS CA C 35 61.093 60.512 0.581 1
1 345 . 12 1 1 A 35 35 CYS HA H 35 3.772 4.087 -0.315 1
1 346 . 12 1 1 A 35 35 CYS CB C 35 25.679 25.874 -0.195 1
1 349 . 12 1 1 A 35 35 CYS C C 35 173.370 173.848 -0.478 1
1 350 . 12 1 1 A 36 36 ARG N N 36 117.440 119.587 -2.147 1
1 351 . 12 1 1 A 36 36 ARG H H 36 7.473 7.836 -0.363 1
1 352 . 12 1 1 A 36 36 ARG CA C 36 57.988 54.227 3.761 1
1 353 . 12 1 1 A 36 36 ARG HA H 36 3.981 4.550 -0.569 1
1 354 . 12 1 1 A 36 36 ARG CB C 36 30.430 29.878 0.552 1
1 363 . 12 1 1 A 36 36 ARG C C 36 177.233 175.106 2.127 1
1 364 . 12 1 1 A 37 37 MET CA C 37 56.118 54.394 1.724 1
1 365 . 12 1 1 A 37 37 MET HA H 37 4.036 4.762 -0.726 1
1 373 . 12 1 1 A 38 38 GLY H H 38 8.192 8.524 -0.332 1
1 374 . 12 1 1 A 38 38 GLY CA C 38 45.670 45.846 -0.176 1
1 375 . 12 1 1 A 38 38 GLY HA2 H 38 4.220 4.162 0.058 1
1 376 . 12 1 1 A 38 38 GLY HA3 H 38 3.595 4.169 -0.574 1
1 377 . 12 1 1 A 38 38 GLY C C 38 173.799 173.153 0.646 1
1 378 . 12 1 1 A 39 39 ALA N N 39 122.002 121.589 0.413 1
1 379 . 12 1 1 A 39 39 ALA H H 39 7.697 7.816 -0.119 1
1 380 . 12 1 1 A 39 39 ALA CA C 39 51.019 51.618 -0.599 1
1 381 . 12 1 1 A 39 39 ALA HA H 39 4.678 4.643 0.035 1
1 382 . 12 1 1 A 39 39 ALA CB C 39 22.608 22.068 0.540 1
1 386 . 12 1 1 A 39 39 ALA C C 39 176.769 177.060 -0.291 1
1 387 . 12 1 1 A 40 40 GLY N N 40 107.149 113.531 -6.382 1
1 388 . 12 1 1 A 40 40 GLY H H 40 8.731 8.988 -0.257 1
1 389 . 12 1 1 A 40 40 GLY CA C 40 45.768 46.183 -0.415 1
1 390 . 12 1 1 A 40 40 GLY HA2 H 40 3.957 3.982 -0.025 1
1 391 . 12 1 1 A 40 40 GLY HA3 H 40 4.220 3.996 0.224 1
1 392 . 12 1 1 A 40 40 GLY C C 40 176.747 175.238 1.509 1
1 393 . 12 1 1 A 41 41 ILE CA C 41 63.397 63.624 -0.227 1
1 394 . 12 1 1 A 41 41 ILE HA H 41 4.312 3.965 0.347 1
1 395 . 12 1 1 A 41 41 ILE CB C 41 38.794 37.657 1.137 1
1 408 . 12 1 1 A 41 41 ILE C C 41 177.249 177.963 -0.714 1
1 409 . 12 1 1 A 42 42 ALA N N 42 124.835 123.445 1.390 1
1 410 . 12 1 1 A 42 42 ALA H H 42 8.629 8.413 0.216 1
1 411 . 12 1 1 A 42 42 ALA CA C 42 55.599 55.621 -0.022 1
1 412 . 12 1 1 A 42 42 ALA HA H 42 4.377 3.962 0.415 1
1 413 . 12 1 1 A 42 42 ALA CB C 42 18.155 18.779 -0.624 1
1 417 . 12 1 1 A 42 42 ALA C C 42 179.079 180.022 -0.943 1
1 418 . 12 1 1 A 43 43 VAL N N 43 116.015 118.261 -2.246 1
1 419 . 12 1 1 A 43 43 VAL H H 43 7.363 8.128 -0.765 1
1 420 . 12 1 1 A 43 43 VAL CA C 43 65.623 66.986 -1.363 1
1 421 . 12 1 1 A 43 43 VAL HA H 43 3.822 3.568 0.254 1
1 422 . 12 1 1 A 43 43 VAL CB C 43 32.408 31.552 0.856 1
1 432 . 12 1 1 A 43 43 VAL C C 43 178.285 178.308 -0.023 1
1 433 . 12 1 1 A 44 44 LEU N N 44 119.736 118.892 0.844 1
1 434 . 12 1 1 A 44 44 LEU H H 44 7.357 8.226 -0.869 1
1 435 . 12 1 1 A 44 44 LEU CA C 44 57.460 57.916 -0.456 1
1 436 . 12 1 1 A 44 44 LEU HA H 44 3.968 3.938 0.030 1
1 437 . 12 1 1 A 44 44 LEU CB C 44 41.234 41.713 -0.479 1
1 450 . 12 1 1 A 44 44 LEU C C 44 179.972 179.442 0.530 1
1 451 . 12 1 1 A 45 45 PHE N N 45 118.434 118.368 0.066 1
1 452 . 12 1 1 A 45 45 PHE H H 45 7.733 7.568 0.165 1
1 453 . 12 1 1 A 45 45 PHE CA C 45 63.151 60.995 2.156 1
1 454 . 12 1 1 A 45 45 PHE HA H 45 4.009 4.239 -0.230 1
1 455 . 12 1 1 A 45 45 PHE CB C 45 39.883 38.991 0.892 1
1 468 . 12 1 1 A 45 45 PHE C C 45 180.448 178.345 2.103 1
1 469 . 12 1 1 A 46 46 LYS N N 46 124.749 117.548 7.201 1
1 470 . 12 1 1 A 46 46 LYS H H 46 8.819 8.771 0.048 1
1 471 . 12 1 1 A 46 46 LYS CA C 46 60.958 58.406 2.552 1
1 472 . 12 1 1 A 46 46 LYS HA H 46 4.160 4.209 -0.049 1
1 473 . 12 1 1 A 46 46 LYS CB C 46 31.930 31.503 0.427 1
1 485 . 12 1 1 A 46 46 LYS C C 46 179.139 177.861 1.278 1
1 486 . 12 1 1 A 47 47 LYS N N 47 119.317 120.343 -1.026 1
1 487 . 12 1 1 A 47 47 LYS H H 47 8.154 8.212 -0.058 1
1 488 . 12 1 1 A 47 47 LYS CA C 47 59.331 58.926 0.405 1
1 489 . 12 1 1 A 47 47 LYS HA H 47 3.939 4.077 -0.138 1
1 490 . 12 1 1 A 47 47 LYS CB C 47 33.065 32.517 0.548 1
1 502 . 12 1 1 A 47 47 LYS C C 47 178.108 178.843 -0.735 1
1 503 . 12 1 1 A 48 48 LYS N N 48 116.005 119.285 -3.280 1
1 504 . 12 1 1 A 48 48 LYS H H 48 7.976 7.653 0.323 1
1 505 . 12 1 1 A 48 48 LYS CA C 48 58.650 58.529 0.121 1
1 506 . 12 1 1 A 48 48 LYS HA H 48 3.684 3.867 -0.183 1
1 507 . 12 1 1 A 48 48 LYS CB C 48 32.372 32.175 0.197 1
1 519 . 12 1 1 A 48 48 LYS C C 48 178.213 178.026 0.187 1
1 520 . 12 1 1 A 49 49 PHE N N 49 112.629 115.072 -2.443 1
1 521 . 12 1 1 A 49 49 PHE H H 49 7.658 7.364 0.294 1
1 522 . 12 1 1 A 49 49 PHE CA C 49 56.958 60.464 -3.506 1
1 523 . 12 1 1 A 49 49 PHE HA H 49 5.028 4.463 0.565 1
1 524 . 12 1 1 A 49 49 PHE CB C 49 40.496 39.956 0.540 1
1 537 . 12 1 1 A 49 49 PHE C C 49 176.188 176.444 -0.256 1
1 538 . 12 1 1 A 50 50 GLY N N 50 108.499 107.455 1.044 1
1 539 . 12 1 1 A 50 50 GLY H H 50 7.821 8.466 -0.645 1
1 540 . 12 1 1 A 50 50 GLY CA C 50 46.579 46.980 -0.401 1
1 541 . 12 1 1 A 50 50 GLY HA2 H 50 3.953 3.965 -0.012 1
1 542 . 12 1 1 A 50 50 GLY HA3 H 50 3.953 3.987 -0.034 1
1 543 . 12 1 1 A 50 50 GLY C C 50 174.288 175.740 -1.452 1
1 544 . 12 1 1 A 51 51 GLY N N 51 108.968 106.121 2.847 1
1 545 . 12 1 1 A 51 51 GLY H H 51 8.600 8.044 0.556 1
1 546 . 12 1 1 A 51 51 GLY CA C 51 46.597 45.516 1.081 1
1 547 . 12 1 1 A 51 51 GLY HA2 H 51 3.943 4.192 -0.249 1
1 548 . 12 1 1 A 51 51 GLY HA3 H 51 4.047 4.194 -0.147 1
1 549 . 12 1 1 A 51 51 GLY C C 51 174.522 175.432 -0.910 1
1 550 . 12 1 1 A 52 52 VAL N N 52 118.929 118.726 0.203 1
1 551 . 12 1 1 A 52 52 VAL H H 52 7.980 7.888 0.092 1
1 552 . 12 1 1 A 52 52 VAL CA C 52 68.080 65.675 2.405 1
1 553 . 12 1 1 A 52 52 VAL HA H 52 3.334 3.613 -0.279 1
1 554 . 12 1 1 A 52 52 VAL CB C 52 31.150 31.540 -0.390 1
1 564 . 12 1 1 A 52 52 VAL C C 52 177.566 177.580 -0.014 1
1 565 . 12 1 1 A 53 53 GLN N N 53 116.880 121.676 -4.796 1
1 566 . 12 1 1 A 53 53 GLN H H 53 8.513 8.111 0.402 1
1 567 . 12 1 1 A 53 53 GLN CA C 53 58.730 58.801 -0.071 1
1 568 . 12 1 1 A 53 53 GLN HA H 53 3.946 3.955 -0.009 1
1 569 . 12 1 1 A 53 53 GLN CB C 53 28.098 28.614 -0.516 1
1 578 . 12 1 1 A 53 53 GLN C C 53 177.916 178.052 -0.136 1
1 579 . 12 1 1 A 54 54 GLU N N 54 119.584 119.651 -0.067 1
1 580 . 12 1 1 A 54 54 GLU H H 54 7.525 8.045 -0.520 1
1 581 . 12 1 1 A 54 54 GLU CA C 54 59.754 59.105 0.649 1
1 582 . 12 1 1 A 54 54 GLU HA H 54 3.980 4.059 -0.079 1
1 583 . 12 1 1 A 54 54 GLU CB C 54 29.509 29.746 -0.237 1
1 589 . 12 1 1 A 54 54 GLU C C 54 180.168 179.699 0.469 1
1 590 . 12 1 1 A 55 55 LEU N N 55 121.130 120.546 0.584 1
1 591 . 12 1 1 A 55 55 LEU H H 55 8.437 7.988 0.449 1
1 592 . 12 1 1 A 55 55 LEU CA C 55 58.005 57.883 0.122 1
1 593 . 12 1 1 A 55 55 LEU HA H 55 3.870 3.973 -0.103 1
1 594 . 12 1 1 A 55 55 LEU CB C 55 42.588 41.406 1.182 1
1 607 . 12 1 1 A 55 55 LEU C C 55 180.835 179.290 1.545 1
1 608 . 12 1 1 A 56 56 LEU N N 56 123.508 118.294 5.214 1
1 609 . 12 1 1 A 56 56 LEU H H 56 8.664 8.372 0.292 1
1 610 . 12 1 1 A 56 56 LEU CA C 56 58.397 57.905 0.492 1
1 611 . 12 1 1 A 56 56 LEU HA H 56 3.972 3.882 0.090 1
1 612 . 12 1 1 A 56 56 LEU CB C 56 42.087 41.510 0.577 1
1 625 . 12 1 1 A 56 56 LEU C C 56 181.257 179.294 1.963 1
1 626 . 12 1 1 A 57 57 ASN N N 57 116.946 118.203 -1.257 1
1 627 . 12 1 1 A 57 57 ASN H H 57 8.334 8.114 0.220 1
1 628 . 12 1 1 A 57 57 ASN CA C 57 54.627 56.412 -1.785 1
1 629 . 12 1 1 A 57 57 ASN HA H 57 4.566 4.392 0.174 1
1 630 . 12 1 1 A 57 57 ASN CB C 57 38.170 37.852 0.318 1
1 636 . 12 1 1 A 57 57 ASN C C 57 176.756 178.227 -1.471 1
1 637 . 12 1 1 A 58 58 GLN N N 58 118.214 117.653 0.561 1
1 638 . 12 1 1 A 58 58 GLN H H 58 7.670 7.648 0.022 1
1 639 . 12 1 1 A 58 58 GLN CA C 58 58.022 57.360 0.662 1
1 640 . 12 1 1 A 58 58 GLN HA H 58 4.184 4.083 0.101 1
1 641 . 12 1 1 A 58 58 GLN CB C 58 28.460 28.417 0.043 1
1 650 . 12 1 1 A 58 58 GLN C C 58 175.792 175.576 0.216 1
1 651 . 12 1 1 A 59 59 GLN N N 59 114.113 116.385 -2.272 1
1 652 . 12 1 1 A 59 59 GLN H H 59 7.825 8.223 -0.398 1
1 653 . 12 1 1 A 59 59 GLN CA C 59 56.584 56.833 -0.249 1
1 654 . 12 1 1 A 59 59 GLN HA H 59 4.015 3.832 0.183 1
1 655 . 12 1 1 A 59 59 GLN CB C 59 26.829 26.267 0.562 1
1 664 . 12 1 1 A 59 59 GLN C C 59 175.049 175.136 -0.087 1
1 665 . 12 1 1 A 60 60 LYS N N 60 118.472 118.707 -0.235 1
1 666 . 12 1 1 A 60 60 LYS H H 60 9.134 8.167 0.967 1
1 667 . 12 1 1 A 60 60 LYS CA C 60 54.005 56.234 -2.229 1
1 668 . 12 1 1 A 60 60 LYS HA H 60 4.458 4.446 0.012 1
1 669 . 12 1 1 A 60 60 LYS CB C 60 32.573 34.155 -1.582 1
1 681 . 12 1 1 A 60 60 LYS C C 60 176.936 175.434 1.502 1
1 682 . 12 1 1 A 61 61 LYS N N 61 121.877 119.610 2.267 1
1 683 . 12 1 1 A 61 61 LYS H H 61 9.069 8.575 0.494 1
1 684 . 12 1 1 A 61 61 LYS CA C 61 53.421 54.432 -1.011 1
1 685 . 12 1 1 A 61 61 LYS HA H 61 4.517 4.794 -0.277 1
1 686 . 12 1 1 A 61 61 LYS CB C 61 35.816 36.758 -0.942 1
1 698 . 12 1 1 A 61 61 LYS C C 61 175.049 176.264 -1.215 1
1 699 . 12 1 1 A 62 62 SER N N 62 114.153 118.645 -4.492 1
1 700 . 12 1 1 A 62 62 SER H H 62 8.524 8.374 0.150 1
1 701 . 12 1 1 A 62 62 SER CA C 62 60.959 60.505 0.454 1
1 702 . 12 1 1 A 62 62 SER HA H 62 3.954 4.419 -0.465 1
1 703 . 12 1 1 A 62 62 SER CB C 62 64.374 62.870 1.504 1
1 706 . 12 1 1 A 62 62 SER C C 62 175.660 175.491 0.169 1
1 707 . 12 1 1 A 63 63 GLY N N 63 111.615 113.443 -1.828 1
1 708 . 12 1 1 A 63 63 GLY H H 63 9.308 8.904 0.404 1
1 709 . 12 1 1 A 63 63 GLY CA C 63 44.971 45.159 -0.188 1
1 710 . 12 1 1 A 63 63 GLY HA2 H 63 4.188 4.021 0.167 1
1 711 . 12 1 1 A 63 63 GLY HA3 H 63 4.188 4.024 0.164 1
1 712 . 12 1 1 A 63 63 GLY C C 63 172.420 174.195 -1.775 1
1 713 . 12 1 1 A 64 64 GLU N N 64 117.287 119.894 -2.607 1
1 714 . 12 1 1 A 64 64 GLU H H 64 7.909 8.093 -0.184 1
1 715 . 12 1 1 A 64 64 GLU CA C 64 53.972 54.721 -0.749 1
1 716 . 12 1 1 A 64 64 GLU HA H 64 4.549 4.795 -0.246 1
1 717 . 12 1 1 A 64 64 GLU CB C 64 32.449 32.294 0.155 1
1 723 . 12 1 1 A 64 64 GLU C C 64 174.611 174.892 -0.281 1
1 724 . 12 1 1 A 65 65 VAL N N 65 118.093 121.151 -3.058 1
1 725 . 12 1 1 A 65 65 VAL H H 65 8.337 8.998 -0.661 1
1 726 . 12 1 1 A 65 65 VAL CA C 65 59.380 59.770 -0.390 1
1 727 . 12 1 1 A 65 65 VAL HA H 65 5.149 4.986 0.163 1
1 728 . 12 1 1 A 65 65 VAL CB C 65 35.892 35.571 0.321 1
1 738 . 12 1 1 A 65 65 VAL C C 65 172.013 173.713 -1.700 1
1 739 . 12 1 1 A 66 66 ALA N N 66 130.790 129.767 1.023 1
1 740 . 12 1 1 A 66 66 ALA H H 66 8.876 8.789 0.087 1
1 741 . 12 1 1 A 66 66 ALA CA C 66 50.170 51.002 -0.832 1
1 742 . 12 1 1 A 66 66 ALA HA H 66 4.879 5.408 -0.529 1
1 743 . 12 1 1 A 66 66 ALA CB C 66 21.291 21.115 0.176 1
1 747 . 12 1 1 A 66 66 ALA C C 66 175.997 176.533 -0.536 1
1 748 . 12 1 1 A 67 67 VAL N N 67 119.453 120.799 -1.346 1
1 749 . 12 1 1 A 67 67 VAL H H 67 8.615 8.474 0.141 1
1 750 . 12 1 1 A 67 67 VAL CA C 67 61.078 60.825 0.253 1
1 751 . 12 1 1 A 67 67 VAL HA H 67 5.255 5.115 0.140 1
1 752 . 12 1 1 A 67 67 VAL CB C 67 36.283 35.060 1.223 1
1 762 . 12 1 1 A 67 67 VAL C C 67 176.213 174.599 1.614 1
1 763 . 12 1 1 A 68 68 LEU N N 68 126.404 128.092 -1.688 1
1 764 . 12 1 1 A 68 68 LEU H H 68 9.013 8.487 0.526 1
1 765 . 12 1 1 A 68 68 LEU CA C 68 53.424 54.034 -0.610 1
1 766 . 12 1 1 A 68 68 LEU HA H 68 4.809 4.907 -0.098 1
1 767 . 12 1 1 A 68 68 LEU CB C 68 46.473 45.880 0.593 1
1 780 . 12 1 1 A 68 68 LEU C C 68 174.704 174.450 0.254 1
1 781 . 12 1 1 A 69 69 LYS N N 69 123.462 128.529 -5.067 1
1 782 . 12 1 1 A 69 69 LYS H H 69 8.756 8.816 -0.060 1
1 783 . 12 1 1 A 69 69 LYS CA C 69 55.228 56.155 -0.927 1
1 784 . 12 1 1 A 69 69 LYS HA H 69 4.791 4.885 -0.094 1
1 785 . 12 1 1 A 69 69 LYS CB C 69 33.820 32.806 1.014 1
1 797 . 12 1 1 A 69 69 LYS C C 69 177.387 175.096 2.291 1
1 798 . 12 1 1 A 70 70 ARG N N 70 127.852 126.194 1.658 1
1 799 . 12 1 1 A 70 70 ARG H H 70 8.688 8.761 -0.073 1
1 800 . 12 1 1 A 70 70 ARG CA C 70 52.929 53.809 -0.880 1
1 801 . 12 1 1 A 70 70 ARG CB C 70 34.028 33.579 0.449 1
1 809 . 12 1 1 A 70 70 ARG C C 70 175.460 175.659 -0.199 1
1 810 . 12 1 1 A 71 71 ASP CA C 71 55.193 55.062 0.131 1
1 811 . 12 1 1 A 71 71 ASP HA H 71 4.268 4.290 -0.022 1
1 812 . 12 1 1 A 71 71 ASP CB C 71 40.326 39.773 0.553 1
1 815 . 12 1 1 A 71 71 ASP C C 71 175.970 175.457 0.513 1
1 816 . 12 1 1 A 72 72 GLY N N 72 104.319 104.411 -0.092 1
1 817 . 12 1 1 A 72 72 GLY H H 72 8.642 8.594 0.048 1
1 818 . 12 1 1 A 72 72 GLY CA C 72 45.692 46.005 -0.313 1
1 819 . 12 1 1 A 72 72 GLY HA2 H 72 4.062 3.825 0.237 1
1 820 . 12 1 1 A 72 72 GLY HA3 H 72 3.516 3.848 -0.332 1
1 821 . 12 1 1 A 72 72 GLY C C 72 172.604 173.435 -0.831 1
1 822 . 12 1 1 A 73 73 ARG N N 73 118.257 115.558 2.699 1
1 823 . 12 1 1 A 73 73 ARG H H 73 7.794 7.643 0.151 1
1 824 . 12 1 1 A 73 73 ARG CA C 73 52.893 53.786 -0.893 1
1 825 . 12 1 1 A 73 73 ARG HA H 73 4.560 4.486 0.074 1
1 826 . 12 1 1 A 73 73 ARG CB C 73 31.831 32.974 -1.143 1
1 837 . 12 1 1 A 73 73 ARG C C 73 173.057 173.705 -0.648 1
1 838 . 12 1 1 A 74 74 TYR N N 74 117.830 118.611 -0.781 1
1 839 . 12 1 1 A 74 74 TYR H H 74 8.366 8.310 0.056 1
1 840 . 12 1 1 A 74 74 TYR CA C 74 57.987 56.507 1.480 1
1 841 . 12 1 1 A 74 74 TYR HA H 74 5.005 4.960 0.045 1
1 842 . 12 1 1 A 74 74 TYR CB C 74 40.473 38.604 1.869 1
1 853 . 12 1 1 A 74 74 TYR C C 74 173.530 174.798 -1.268 1
1 854 . 12 1 1 A 75 75 ILE N N 75 120.880 125.245 -4.365 1
1 855 . 12 1 1 A 75 75 ILE H H 75 8.923 8.591 0.332 1
1 856 . 12 1 1 A 75 75 ILE CA C 75 59.632 61.232 -1.600 1
1 857 . 12 1 1 A 75 75 ILE HA H 75 4.398 4.444 -0.046 1
1 858 . 12 1 1 A 75 75 ILE CB C 75 37.608 37.706 -0.098 1
1 871 . 12 1 1 A 75 75 ILE C C 75 174.203 175.018 -0.815 1
1 872 . 12 1 1 A 76 76 TYR N N 76 125.586 128.157 -2.571 1
1 873 . 12 1 1 A 76 76 TYR H H 76 9.540 8.895 0.645 1
1 874 . 12 1 1 A 76 76 TYR CA C 76 59.137 56.793 2.344 1
1 875 . 12 1 1 A 76 76 TYR HA H 76 4.630 5.416 -0.786 1
1 876 . 12 1 1 A 76 76 TYR CB C 76 39.909 40.980 -1.071 1
1 887 . 12 1 1 A 76 76 TYR C C 76 174.280 174.875 -0.595 1
1 888 . 12 1 1 A 77 77 TYR N N 77 123.524 121.335 2.189 1
1 889 . 12 1 1 A 77 77 TYR H H 77 9.221 9.009 0.212 1
1 890 . 12 1 1 A 77 77 TYR CA C 77 55.476 56.390 -0.914 1
1 891 . 12 1 1 A 77 77 TYR HA H 77 4.155 5.323 -1.168 1
1 892 . 12 1 1 A 77 77 TYR CB C 77 35.926 39.311 -3.385 1
1 903 . 12 1 1 A 77 77 TYR C C 77 174.236 174.975 -0.739 1
1 904 . 12 1 1 A 78 78 LEU N N 78 123.875 125.893 -2.018 1
1 905 . 12 1 1 A 78 78 LEU H H 78 8.948 8.543 0.405 1
1 906 . 12 1 1 A 78 78 LEU CA C 78 55.635 55.926 -0.291 1
1 907 . 12 1 1 A 78 78 LEU HA H 78 4.134 4.328 -0.194 1
1 908 . 12 1 1 A 78 78 LEU CB C 78 40.856 41.966 -1.110 1
1 921 . 12 1 1 A 78 78 LEU C C 78 175.294 176.231 -0.937 1
1 922 . 12 1 1 A 79 79 ILE N N 79 127.986 125.426 2.560 1
1 923 . 12 1 1 A 79 79 ILE H H 79 8.322 8.701 -0.379 1
1 924 . 12 1 1 A 79 79 ILE CA C 79 59.349 60.247 -0.898 1
1 925 . 12 1 1 A 79 79 ILE HA H 79 4.372 4.795 -0.423 1
1 926 . 12 1 1 A 79 79 ILE CB C 79 34.277 38.523 -4.246 1
1 939 . 12 1 1 A 79 79 ILE C C 79 176.505 176.275 0.230 1
1 940 . 12 1 1 A 80 80 THR N N 80 113.978 118.631 -4.653 1
1 941 . 12 1 1 A 80 80 THR H H 80 8.276 8.845 -0.569 1
1 942 . 12 1 1 A 80 80 THR CA C 80 61.646 62.304 -0.658 1
1 943 . 12 1 1 A 80 80 THR HA H 80 4.334 4.585 -0.251 1
1 944 . 12 1 1 A 80 80 THR CB C 80 69.165 69.795 -0.630 1
1 950 . 12 1 1 A 80 80 THR C C 80 172.999 174.305 -1.306 1
1 951 . 12 1 1 A 81 81 LYS N N 81 114.856 119.562 -4.706 1
1 952 . 12 1 1 A 81 81 LYS H H 81 7.512 7.569 -0.057 1
1 953 . 12 1 1 A 81 81 LYS CA C 81 54.894 54.803 0.091 1
1 954 . 12 1 1 A 81 81 LYS HA H 81 4.649 4.871 -0.222 1
1 955 . 12 1 1 A 81 81 LYS CB C 81 34.139 34.713 -0.574 1
1 964 . 12 1 1 A 81 81 LYS C C 81 175.344 176.462 -1.118 1
1 965 . 12 1 1 A 82 82 LYS N N 82 121.209 120.078 1.131 1
1 966 . 12 1 1 A 82 82 LYS H H 82 9.577 8.952 0.625 1
1 967 . 12 1 1 A 82 82 LYS CA C 82 60.198 57.702 2.496 1
1 968 . 12 1 1 A 82 82 LYS HA H 82 3.884 4.337 -0.453 1
1 969 . 12 1 1 A 82 82 LYS CB C 82 33.603 33.876 -0.273 1
1 981 . 12 1 1 A 82 82 LYS C C 82 176.049 176.478 -0.429 1
1 982 . 12 1 1 A 83 83 ARG N N 83 112.456 114.766 -2.310 1
1 983 . 12 1 1 A 83 83 ARG H H 83 6.717 7.718 -1.001 1
1 984 . 12 1 1 A 83 83 ARG CA C 83 52.451 54.661 -2.210 1
1 985 . 12 1 1 A 83 83 ARG HA H 83 4.691 4.798 -0.107 1
1 986 . 12 1 1 A 83 83 ARG CB C 83 32.857 32.832 0.025 1
1 995 . 12 1 1 A 83 83 ARG C C 83 177.299 176.104 1.195 1
1 996 . 12 1 1 A 84 84 ALA N N 84 124.857 125.043 -0.186 1
1 997 . 12 1 1 A 84 84 ALA H H 84 9.290 8.951 0.339 1
1 998 . 12 1 1 A 84 84 ALA CA C 84 56.005 55.786 0.219 1
1 999 . 12 1 1 A 84 84 ALA HA H 84 3.895 3.989 -0.094 1
1 1000 . 12 1 1 A 84 84 ALA CB C 84 19.175 18.322 0.853 1
1 1004 . 12 1 1 A 84 84 ALA C C 84 178.350 179.360 -1.010 1
1 1005 . 12 1 1 A 85 85 SER CA C 85 58.631 61.392 -2.761 1
1 1006 . 12 1 1 A 85 85 SER HA H 85 4.338 4.028 0.310 1
1 1007 . 12 1 1 A 85 85 SER CB C 85 63.277 62.929 0.348 1
1 1010 . 12 1 1 A 85 85 SER C C 85 175.469 174.491 0.978 1
1 1011 . 12 1 1 A 86 86 HIS N N 86 121.978 116.947 5.031 1
1 1012 . 12 1 1 A 86 86 HIS H H 86 7.560 7.908 -0.348 1
1 1013 . 12 1 1 A 86 86 HIS CA C 86 54.468 55.456 -0.988 1
1 1014 . 12 1 1 A 86 86 HIS HA H 86 4.766 4.797 -0.031 1
1 1015 . 12 1 1 A 86 86 HIS CB C 86 33.069 30.504 2.565 1
1 1022 . 12 1 1 A 86 86 HIS C C 86 174.466 174.876 -0.410 1
1 1023 . 12 1 1 A 87 87 LYS N N 87 122.014 124.143 -2.129 1
1 1024 . 12 1 1 A 87 87 LYS H H 87 8.693 8.640 0.053 1
1 1025 . 12 1 1 A 87 87 LYS CA C 87 53.283 53.907 -0.624 1
1 1026 . 12 1 1 A 87 87 LYS HA H 87 4.792 4.597 0.195 1
1 1027 . 12 1 1 A 87 87 LYS CB C 87 32.803 31.922 0.881 1
1 1037 . 12 1 1 A 87 87 LYS C C 87 175.072 174.467 0.605 1
1 1038 . 12 1 1 A 88 88 PRO CA C 88 62.515 62.466 0.049 1
1 1039 . 12 1 1 A 88 88 PRO HA H 88 4.796 4.735 0.061 1
1 1040 . 12 1 1 A 88 88 PRO CB C 88 32.687 32.732 -0.045 1
1 1049 . 12 1 1 A 88 88 PRO C C 88 175.319 176.283 -0.964 1
1 1050 . 12 1 1 A 89 89 THR N N 89 107.501 111.554 -4.053 1
1 1051 . 12 1 1 A 89 89 THR H H 89 7.933 8.264 -0.331 1
1 1052 . 12 1 1 A 89 89 THR CA C 89 58.518 59.411 -0.893 1
1 1053 . 12 1 1 A 89 89 THR HA H 89 4.758 4.808 -0.050 1
1 1054 . 12 1 1 A 89 89 THR CB C 89 70.861 71.676 -0.815 1
1 1060 . 12 1 1 A 89 89 THR C C 89 175.662 175.041 0.621 1
1 1061 . 12 1 1 A 90 90 TYR N N 90 120.845 123.249 -2.404 1
1 1062 . 12 1 1 A 90 90 TYR H H 90 8.751 9.235 -0.484 1
1 1063 . 12 1 1 A 90 90 TYR CA C 90 63.195 60.902 2.293 1
1 1064 . 12 1 1 A 90 90 TYR HA H 90 4.064 4.171 -0.107 1
1 1065 . 12 1 1 A 90 90 TYR CB C 90 37.372 37.945 -0.573 1
1 1076 . 12 1 1 A 90 90 TYR C C 90 178.063 178.049 0.014 1
1 1077 . 12 1 1 A 91 91 GLU N N 91 118.210 120.220 -2.010 1
1 1078 . 12 1 1 A 91 91 GLU H H 91 8.857 8.411 0.446 1
1 1079 . 12 1 1 A 91 91 GLU CA C 91 60.312 59.748 0.564 1
1 1080 . 12 1 1 A 91 91 GLU HA H 91 4.114 3.996 0.118 1
1 1081 . 12 1 1 A 91 91 GLU CB C 91 29.276 28.938 0.338 1
1 1087 . 12 1 1 A 91 91 GLU C C 91 178.970 179.358 -0.388 1
1 1088 . 12 1 1 A 92 92 ASN N N 92 117.220 118.757 -1.537 1
1 1089 . 12 1 1 A 92 92 ASN H H 92 7.894 7.756 0.138 1
1 1090 . 12 1 1 A 92 92 ASN CA C 92 55.334 56.378 -1.044 1
1 1091 . 12 1 1 A 92 92 ASN HA H 92 4.696 4.555 0.141 1
1 1092 . 12 1 1 A 92 92 ASN CB C 92 37.704 37.919 -0.215 1
1 1098 . 12 1 1 A 92 92 ASN C C 92 178.155 177.704 0.451 1
1 1099 . 12 1 1 A 93 93 LEU N N 93 121.622 121.626 -0.004 1
1 1100 . 12 1 1 A 93 93 LEU H H 93 8.038 8.250 -0.212 1
1 1101 . 12 1 1 A 93 93 LEU CA C 93 58.495 58.808 -0.313 1
1 1102 . 12 1 1 A 93 93 LEU HA H 93 4.092 3.988 0.104 1
1 1103 . 12 1 1 A 93 93 LEU CB C 93 41.383 41.986 -0.603 1
1 1116 . 12 1 1 A 93 93 LEU C C 93 177.808 178.512 -0.704 1
1 1117 . 12 1 1 A 94 94 GLN N N 94 120.352 118.235 2.117 1
1 1118 . 12 1 1 A 94 94 GLN H H 94 8.792 8.102 0.690 1
1 1119 . 12 1 1 A 94 94 GLN CA C 94 61.099 59.303 1.796 1
1 1120 . 12 1 1 A 94 94 GLN HA H 94 3.721 3.988 -0.267 1
1 1121 . 12 1 1 A 94 94 GLN CB C 94 27.560 28.589 -1.029 1
1 1130 . 12 1 1 A 94 94 GLN C C 94 178.042 178.391 -0.349 1
1 1131 . 12 1 1 A 95 95 LYS N N 95 117.824 118.501 -0.677 1
1 1132 . 12 1 1 A 95 95 LYS H H 95 7.803 7.669 0.134 1
1 1133 . 12 1 1 A 95 95 LYS CA C 95 60.222 59.303 0.919 1
1 1134 . 12 1 1 A 95 95 LYS HA H 95 4.012 4.017 -0.005 1
1 1135 . 12 1 1 A 95 95 LYS CB C 95 33.168 32.424 0.744 1
1 1147 . 12 1 1 A 95 95 LYS C C 95 179.868 179.012 0.856 1
1 1148 . 12 1 1 A 96 96 SER N N 96 118.301 114.284 4.017 1
1 1149 . 12 1 1 A 96 96 SER H H 96 8.251 8.588 -0.337 1
1 1150 . 12 1 1 A 96 96 SER CA C 96 63.668 61.674 1.994 1
1 1151 . 12 1 1 A 96 96 SER HA H 96 3.710 4.149 -0.439 1
1 1152 . 12 1 1 A 96 96 SER CB C 96 62.882 62.592 0.290 1
1 1155 . 12 1 1 A 96 96 SER C C 96 176.400 177.394 -0.994 1
1 1156 . 12 1 1 A 97 97 LEU N N 97 122.701 122.232 0.469 1
1 1157 . 12 1 1 A 97 97 LEU H H 97 8.467 8.381 0.086 1
1 1158 . 12 1 1 A 97 97 LEU CA C 97 58.323 58.058 0.265 1
1 1159 . 12 1 1 A 97 97 LEU HA H 97 3.861 3.986 -0.125 1
1 1160 . 12 1 1 A 97 97 LEU CB C 97 42.995 41.603 1.392 1
1 1173 . 12 1 1 A 97 97 LEU C C 97 178.941 179.272 -0.331 1
1 1174 . 12 1 1 A 98 98 GLU N N 98 119.918 118.643 1.275 1
1 1175 . 12 1 1 A 98 98 GLU H H 98 8.410 8.191 0.219 1
1 1176 . 12 1 1 A 98 98 GLU CA C 98 59.561 58.888 0.673 1
1 1177 . 12 1 1 A 98 98 GLU HA H 98 3.622 3.878 -0.256 1
1 1178 . 12 1 1 A 98 98 GLU CB C 98 29.142 29.611 -0.469 1
1 1184 . 12 1 1 A 98 98 GLU C C 98 179.137 178.781 0.356 1
1 1185 . 12 1 1 A 99 99 ALA N N 99 124.193 122.518 1.675 1
1 1186 . 12 1 1 A 99 99 ALA H H 99 8.197 8.106 0.091 1
1 1187 . 12 1 1 A 99 99 ALA CA C 99 55.016 54.728 0.288 1
1 1188 . 12 1 1 A 99 99 ALA HA H 99 4.247 4.081 0.166 1
1 1189 . 12 1 1 A 99 99 ALA CB C 99 17.815 18.447 -0.632 1
1 1193 . 12 1 1 A 99 99 ALA C C 99 181.133 179.307 1.826 1
1 1194 . 12 1 1 A 100 100 MET N N 100 122.009 118.251 3.758 1
1 1195 . 12 1 1 A 100 100 MET H H 100 8.482 7.496 0.986 1
1 1196 . 12 1 1 A 100 100 MET CA C 100 59.826 57.976 1.850 1
1 1197 . 12 1 1 A 100 100 MET HA H 100 3.714 4.049 -0.335 1
1 1198 . 12 1 1 A 100 100 MET CB C 100 32.944 32.196 0.748 1
1 1208 . 12 1 1 A 100 100 MET C C 100 176.658 177.812 -1.154 1
1 1209 . 12 1 1 A 101 101 LYS N N 101 120.991 118.703 2.288 1
1 1210 . 12 1 1 A 101 101 LYS H H 101 8.721 7.824 0.897 1
1 1211 . 12 1 1 A 101 101 LYS CA C 101 60.563 58.804 1.759 1
1 1212 . 12 1 1 A 101 101 LYS HA H 101 3.614 4.005 -0.391 1
1 1213 . 12 1 1 A 101 101 LYS CB C 101 30.759 31.994 -1.235 1
1 1225 . 12 1 1 A 101 101 LYS C C 101 177.419 178.350 -0.931 1
1 1226 . 12 1 1 A 102 102 SER N N 102 111.833 114.625 -2.792 1
1 1227 . 12 1 1 A 102 102 SER H H 102 8.005 8.156 -0.151 1
1 1228 . 12 1 1 A 102 102 SER CA C 102 61.993 61.236 0.757 1
1 1229 . 12 1 1 A 102 102 SER HA H 102 4.082 4.114 -0.032 1
1 1230 . 12 1 1 A 102 102 SER CB C 102 62.863 63.079 -0.216 1
1 1233 . 12 1 1 A 102 102 SER C C 102 176.601 176.966 -0.365 1
1 1234 . 12 1 1 A 103 103 HIS N N 103 121.793 120.698 1.095 1
1 1235 . 12 1 1 A 103 103 HIS H H 103 7.605 7.654 -0.049 1
1 1236 . 12 1 1 A 103 103 HIS CA C 103 62.090 59.304 2.786 1
1 1237 . 12 1 1 A 103 103 HIS HA H 103 4.000 4.328 -0.328 1
1 1238 . 12 1 1 A 103 103 HIS CB C 103 30.652 29.908 0.744 1
1 1245 . 12 1 1 A 103 103 HIS C C 103 179.129 177.413 1.716 1
1 1246 . 12 1 1 A 104 104 CYS N N 104 119.421 116.919 2.502 1
1 1247 . 12 1 1 A 104 104 CYS H H 104 9.261 8.037 1.224 1
1 1248 . 12 1 1 A 104 104 CYS CA C 104 63.841 63.912 -0.071 1
1 1249 . 12 1 1 A 104 104 CYS HA H 104 4.105 4.145 -0.040 1
1 1250 . 12 1 1 A 104 104 CYS CB C 104 27.916 27.212 0.704 1
1 1253 . 12 1 1 A 104 104 CYS C C 104 178.176 177.124 1.052 1
1 1254 . 12 1 1 A 105 105 LEU N N 105 117.129 120.619 -3.490 1
1 1255 . 12 1 1 A 105 105 LEU H H 105 8.331 7.985 0.346 1
1 1256 . 12 1 1 A 105 105 LEU CA C 105 57.262 58.142 -0.880 1
1 1257 . 12 1 1 A 105 105 LEU HA H 105 4.245 3.939 0.306 1
1 1258 . 12 1 1 A 105 105 LEU CB C 105 42.030 41.716 0.314 1
1 1271 . 12 1 1 A 105 105 LEU C C 105 180.635 179.097 1.538 1
1 1272 . 12 1 1 A 106 106 LYS N N 106 118.583 116.924 1.659 1
1 1273 . 12 1 1 A 106 106 LYS H H 106 7.638 8.004 -0.366 1
1 1274 . 12 1 1 A 106 106 LYS CA C 106 58.075 60.252 -2.177 1
1 1275 . 12 1 1 A 106 106 LYS HA H 106 4.140 3.870 0.270 1
1 1276 . 12 1 1 A 106 106 LYS CB C 106 33.191 32.268 0.923 1
1 1288 . 12 1 1 A 106 106 LYS C C 106 177.466 178.924 -1.458 1
1 1289 . 12 1 1 A 107 107 ASN N N 107 113.320 115.005 -1.685 1
1 1290 . 12 1 1 A 107 107 ASN H H 107 7.606 7.690 -0.084 1
1 1291 . 12 1 1 A 107 107 ASN CA C 107 53.813 54.796 -0.983 1
1 1292 . 12 1 1 A 107 107 ASN HA H 107 4.841 4.500 0.341 1
1 1293 . 12 1 1 A 107 107 ASN CB C 107 39.785 38.593 1.192 1
1 1299 . 12 1 1 A 107 107 ASN C C 107 174.443 176.121 -1.678 1
1 1300 . 12 1 1 A 108 108 GLY N N 108 109.386 104.190 5.196 1
1 1301 . 12 1 1 A 108 108 GLY H H 108 7.667 7.824 -0.157 1
1 1302 . 12 1 1 A 108 108 GLY CA C 108 47.252 45.285 1.967 1
1 1303 . 12 1 1 A 108 108 GLY HA2 H 108 4.023 4.150 -0.127 1
1 1304 . 12 1 1 A 108 108 GLY HA3 H 108 4.023 4.162 -0.139 1
1 1305 . 12 1 1 A 108 108 GLY C C 108 174.436 174.274 0.162 1
1 1306 . 12 1 1 A 109 109 VAL N N 109 122.758 120.317 2.441 1
1 1307 . 12 1 1 A 109 109 VAL H H 109 8.480 8.293 0.187 1
1 1308 . 12 1 1 A 109 109 VAL CA C 109 63.788 61.231 2.557 1
1 1309 . 12 1 1 A 109 109 VAL HA H 109 4.094 4.536 -0.442 1
1 1310 . 12 1 1 A 109 109 VAL CB C 109 32.931 34.193 -1.262 1
1 1320 . 12 1 1 A 109 109 VAL C C 109 176.089 175.958 0.131 1
1 1321 . 12 1 1 A 110 110 THR N N 110 115.431 117.076 -1.645 1
1 1322 . 12 1 1 A 110 110 THR H H 110 8.995 8.812 0.183 1
1 1323 . 12 1 1 A 110 110 THR CA C 110 62.045 61.387 0.658 1
1 1324 . 12 1 1 A 110 110 THR HA H 110 4.515 4.746 -0.231 1
1 1325 . 12 1 1 A 110 110 THR CB C 110 70.758 70.297 0.461 1
1 1331 . 12 1 1 A 110 110 THR C C 110 173.700 173.935 -0.235 1
1 1332 . 12 1 1 A 111 111 ASP N N 111 123.757 120.464 3.293 1
1 1333 . 12 1 1 A 111 111 ASP H H 111 8.123 7.810 0.313 1
1 1334 . 12 1 1 A 111 111 ASP CA C 111 54.747 53.069 1.678 1
1 1335 . 12 1 1 A 111 111 ASP HA H 111 5.527 5.374 0.153 1
1 1336 . 12 1 1 A 111 111 ASP CB C 111 43.928 43.989 -0.061 1
1 1339 . 12 1 1 A 111 111 ASP C C 111 172.807 174.646 -1.839 1
1 1340 . 12 1 1 A 112 112 LEU N N 112 123.145 124.477 -1.332 1
1 1341 . 12 1 1 A 112 112 LEU H H 112 8.671 8.755 -0.084 1
1 1342 . 12 1 1 A 112 112 LEU CA C 112 52.953 54.086 -1.133 1
1 1343 . 12 1 1 A 112 112 LEU HA H 112 5.213 5.081 0.132 1
1 1344 . 12 1 1 A 112 112 LEU CB C 112 47.875 46.349 1.526 1
1 1357 . 12 1 1 A 112 112 LEU C C 112 176.803 174.084 2.719 1
1 1358 . 12 1 1 A 113 113 SER N N 113 122.973 122.285 0.688 1
1 1359 . 12 1 1 A 113 113 SER H H 113 9.473 9.087 0.386 1
1 1360 . 12 1 1 A 113 113 SER CA C 113 59.207 57.311 1.896 1
1 1361 . 12 1 1 A 113 113 SER HA H 113 6.070 5.616 0.454 1
1 1362 . 12 1 1 A 113 113 SER CB C 113 67.023 65.872 1.151 1
1 1365 . 12 1 1 A 113 113 SER C C 113 172.066 173.317 -1.251 1
1 1366 . 12 1 1 A 114 114 MET N N 114 118.476 121.926 -3.450 1
1 1367 . 12 1 1 A 114 114 MET H H 114 9.080 8.801 0.279 1
1 1368 . 12 1 1 A 114 114 MET CA C 114 54.007 53.263 0.744 1
1 1369 . 12 1 1 A 114 114 MET HA H 114 5.435 5.170 0.265 1
1 1370 . 12 1 1 A 114 114 MET CB C 114 34.867 36.061 -1.194 1
1 1380 . 12 1 1 A 114 114 MET C C 114 172.934 174.389 -1.455 1
1 1381 . 12 1 1 A 115 115 PRO CA C 115 62.262 62.329 -0.067 1
1 1382 . 12 1 1 A 115 115 PRO HA H 115 5.593 4.725 0.868 1
1 1383 . 12 1 1 A 115 115 PRO CB C 115 32.748 33.294 -0.546 1
1 1392 . 12 1 1 A 115 115 PRO C C 115 175.547 176.277 -0.730 1
1 1393 . 12 1 1 A 116 116 ARG N N 116 116.821 120.697 -3.876 1
1 1394 . 12 1 1 A 116 116 ARG H H 116 8.348 8.503 -0.155 1
1 1395 . 12 1 1 A 116 116 ARG CA C 116 55.785 56.275 -0.490 1
1 1396 . 12 1 1 A 116 116 ARG HA H 116 3.896 4.301 -0.405 1
1 1397 . 12 1 1 A 116 116 ARG CB C 116 27.344 30.678 -3.334 1
1 1406 . 12 1 1 A 116 116 ARG C C 116 176.796 176.159 0.637 1
1 1407 . 12 1 1 A 117 117 ILE N N 117 122.887 119.268 3.619 1
1 1408 . 12 1 1 A 117 117 ILE H H 117 7.989 8.374 -0.385 1
1 1409 . 12 1 1 A 117 117 ILE CA C 117 63.148 58.883 4.265 1
1 1410 . 12 1 1 A 117 117 ILE HA H 117 4.028 4.730 -0.702 1
1 1411 . 12 1 1 A 117 117 ILE CB C 117 40.010 41.028 -1.018 1
1 1424 . 12 1 1 A 117 117 ILE C C 117 174.324 175.795 -1.471 1
1 1425 . 12 1 1 A 118 118 GLY N N 118 107.320 113.490 -6.170 1
1 1426 . 12 1 1 A 118 118 GLY H H 118 8.662 8.954 -0.292 1
1 1427 . 12 1 1 A 118 118 GLY CA C 118 45.752 46.918 -1.166 1
1 1428 . 12 1 1 A 118 118 GLY HA2 H 118 3.693 3.907 -0.214 1
1 1429 . 12 1 1 A 118 118 GLY HA3 H 118 4.226 3.958 0.268 1
1 1430 . 12 1 1 A 118 118 GLY C C 118 172.861 174.654 -1.793 1
1 1431 . 12 1 1 A 119 119 CYS N N 119 115.336 119.250 -3.914 1
1 1432 . 12 1 1 A 119 119 CYS H H 119 7.445 8.197 -0.752 1
1 1433 . 12 1 1 A 119 119 CYS CA C 119 58.753 59.279 -0.526 1
1 1434 . 12 1 1 A 119 119 CYS HA H 119 4.831 4.554 0.277 1
1 1435 . 12 1 1 A 119 119 CYS CB C 119 28.840 29.419 -0.579 1
1 1438 . 12 1 1 A 121 121 LEU CA C 121 57.692 57.624 0.068 1
1 1439 . 12 1 1 A 121 121 LEU HA H 121 4.152 4.053 0.099 1
1 1440 . 12 1 1 A 121 121 LEU CB C 121 41.644 41.571 0.073 1
1 1453 . 12 1 1 A 123 123 ARG N N 123 107.909 122.715 -14.806 1
1 1454 . 12 1 1 A 123 123 ARG H H 123 7.536 8.725 -1.189 1
1 1455 . 12 1 1 A 123 123 ARG CA C 123 57.775 59.478 -1.703 1
1 1456 . 12 1 1 A 123 123 ARG HA H 123 3.989 3.916 0.073 1
1 1457 . 12 1 1 A 123 123 ARG CB C 123 28.219 30.178 -1.959 1
1 1466 . 12 1 1 A 123 123 ARG C C 123 176.088 177.412 -1.324 1
1 1467 . 12 1 1 A 124 124 LEU N N 124 118.876 120.243 -1.367 1
1 1468 . 12 1 1 A 124 124 LEU H H 124 8.401 7.771 0.630 1
1 1469 . 12 1 1 A 124 124 LEU CA C 124 54.573 55.255 -0.682 1
1 1470 . 12 1 1 A 124 124 LEU HA H 124 4.533 4.321 0.212 1
1 1471 . 12 1 1 A 124 124 LEU CB C 124 39.785 42.322 -2.537 1
1 1484 . 12 1 1 A 124 124 LEU C C 124 175.551 175.946 -0.395 1
1 1485 . 12 1 1 A 125 125 GLN N N 125 116.713 118.526 -1.813 1
1 1486 . 12 1 1 A 125 125 GLN H H 125 7.779 8.909 -1.130 1
1 1487 . 12 1 1 A 125 125 GLN CA C 125 54.609 54.305 0.304 1
1 1488 . 12 1 1 A 125 125 GLN HA H 125 4.794 5.098 -0.304 1
1 1489 . 12 1 1 A 125 125 GLN CB C 125 30.327 31.728 -1.401 1
1 1498 . 12 1 1 A 125 125 GLN C C 125 177.722 176.203 1.519 1
1 1499 . 12 1 1 A 126 126 TRP N N 126 128.887 126.445 2.442 1
1 1500 . 12 1 1 A 126 126 TRP H H 126 9.755 9.162 0.593 1
1 1501 . 12 1 1 A 126 126 TRP CA C 126 59.962 61.236 -1.274 1
1 1502 . 12 1 1 A 126 126 TRP HA H 126 4.545 4.267 0.278 1
1 1503 . 12 1 1 A 126 126 TRP CB C 126 30.009 30.363 -0.354 1
1 1518 . 12 1 1 A 126 126 TRP C C 126 177.057 178.120 -1.063 1
1 1519 . 12 1 1 A 127 127 GLU N N 127 119.568 118.591 0.977 1
1 1520 . 12 1 1 A 127 127 GLU H H 127 9.946 8.480 1.466 1
1 1521 . 12 1 1 A 127 127 GLU CA C 127 60.623 59.819 0.804 1
1 1522 . 12 1 1 A 127 127 GLU HA H 127 3.780 3.908 -0.128 1
1 1523 . 12 1 1 A 127 127 GLU CB C 127 28.594 29.288 -0.694 1
1 1529 . 12 1 1 A 127 127 GLU C C 127 177.905 179.189 -1.284 1
1 1530 . 12 1 1 A 128 128 ASN N N 128 115.229 118.155 -2.926 1
1 1531 . 12 1 1 A 128 128 ASN H H 128 7.159 8.092 -0.933 1
1 1532 . 12 1 1 A 128 128 ASN CA C 128 55.370 55.785 -0.415 1
1 1533 . 12 1 1 A 128 128 ASN HA H 128 4.446 4.428 0.018 1
1 1534 . 12 1 1 A 128 128 ASN CB C 128 38.522 38.397 0.125 1
1 1540 . 12 1 1 A 128 128 ASN C C 128 177.374 177.697 -0.323 1
1 1541 . 12 1 1 A 129 129 VAL N N 129 122.487 119.532 2.955 1
1 1542 . 12 1 1 A 129 129 VAL H H 129 8.033 7.676 0.357 1
1 1543 . 12 1 1 A 129 129 VAL CA C 129 67.289 66.762 0.527 1
1 1544 . 12 1 1 A 129 129 VAL HA H 129 3.489 3.539 -0.050 1
1 1545 . 12 1 1 A 129 129 VAL CB C 129 31.824 31.508 0.316 1
1 1555 . 12 1 1 A 129 129 VAL C C 129 177.209 177.908 -0.699 1
1 1556 . 12 1 1 A 130 130 SER N N 130 115.189 113.877 1.312 1
1 1557 . 12 1 1 A 130 130 SER H H 130 8.550 8.039 0.511 1
1 1558 . 12 1 1 A 130 130 SER CA C 130 61.477 60.846 0.631 1
1 1559 . 12 1 1 A 130 130 SER HA H 130 3.151 3.598 -0.447 1
1 1560 . 12 1 1 A 130 130 SER CB C 130 61.348 61.890 -0.542 1
1 1563 . 12 1 1 A 130 130 SER C C 130 175.971 176.462 -0.491 1
1 1564 . 12 1 1 A 131 131 ALA N N 131 123.596 123.043 0.553 1
1 1565 . 12 1 1 A 131 131 ALA H H 131 6.551 7.834 -1.283 1
1 1566 . 12 1 1 A 131 131 ALA CA C 131 54.947 55.042 -0.095 1
1 1567 . 12 1 1 A 131 131 ALA HA H 131 4.079 4.024 0.055 1
1 1568 . 12 1 1 A 131 131 ALA CB C 131 18.023 18.400 -0.377 1
1 1572 . 12 1 1 A 131 131 ALA C C 131 179.947 179.761 0.186 1
1 1573 . 12 1 1 A 132 132 MET N N 132 119.410 116.507 2.903 1
1 1574 . 12 1 1 A 132 132 MET H H 132 7.442 8.124 -0.682 1
1 1575 . 12 1 1 A 132 132 MET CA C 132 58.917 58.517 0.400 1
1 1576 . 12 1 1 A 132 132 MET HA H 132 4.118 4.115 0.003 1
1 1577 . 12 1 1 A 132 132 MET CB C 132 33.984 32.163 1.821 1
1 1587 . 12 1 1 A 132 132 MET C C 132 178.019 179.085 -1.066 1
1 1588 . 12 1 1 A 133 133 ILE N N 133 120.265 119.759 0.506 1
1 1589 . 12 1 1 A 133 133 ILE H H 133 8.554 7.764 0.790 1
1 1590 . 12 1 1 A 133 133 ILE CA C 133 66.859 65.202 1.657 1
1 1591 . 12 1 1 A 133 133 ILE HA H 133 3.470 3.774 -0.304 1
1 1592 . 12 1 1 A 133 133 ILE CB C 133 38.240 37.036 1.204 1
1 1605 . 12 1 1 A 133 133 ILE C C 133 177.949 178.289 -0.340 1
1 1606 . 12 1 1 A 134 134 GLU N N 134 117.011 120.499 -3.488 1
1 1607 . 12 1 1 A 134 134 GLU H H 134 8.106 8.091 0.015 1
1 1608 . 12 1 1 A 134 134 GLU CA C 134 59.844 59.691 0.153 1
1 1609 . 12 1 1 A 134 134 GLU HA H 134 3.919 4.038 -0.119 1
1 1610 . 12 1 1 A 134 134 GLU CB C 134 29.024 29.352 -0.328 1
1 1616 . 12 1 1 A 134 134 GLU C C 134 178.982 179.017 -0.035 1
1 1617 . 12 1 1 A 135 135 GLU N N 135 118.619 118.662 -0.043 1
1 1618 . 12 1 1 A 135 135 GLU H H 135 7.848 8.271 -0.423 1
1 1619 . 12 1 1 A 135 135 GLU CA C 135 59.438 59.237 0.201 1
1 1620 . 12 1 1 A 135 135 GLU HA H 135 4.090 4.089 0.001 1
1 1621 . 12 1 1 A 135 135 GLU CB C 135 29.948 29.239 0.709 1
1 1627 . 12 1 1 A 135 135 GLU C C 135 179.547 179.094 0.453 1
1 1628 . 12 1 1 A 136 136 VAL N N 136 119.915 121.420 -1.505 1
1 1629 . 12 1 1 A 136 136 VAL H H 136 8.793 8.022 0.771 1
1 1630 . 12 1 1 A 136 136 VAL CA C 136 66.122 66.410 -0.288 1
1 1631 . 12 1 1 A 136 136 VAL HA H 136 3.578 3.496 0.082 1
1 1632 . 12 1 1 A 136 136 VAL CB C 136 31.990 31.827 0.163 1
1 1642 . 12 1 1 A 136 136 VAL C C 136 177.646 177.608 0.038 1
1 1643 . 12 1 1 A 137 137 PHE N N 137 111.913 117.792 -5.879 1
1 1644 . 12 1 1 A 137 137 PHE H H 137 8.009 8.201 -0.192 1
1 1645 . 12 1 1 A 137 137 PHE CA C 137 59.545 60.190 -0.645 1
1 1646 . 12 1 1 A 137 137 PHE HA H 137 4.197 4.714 -0.517 1
1 1647 . 12 1 1 A 137 137 PHE CB C 137 38.105 37.874 0.231 1
1 1660 . 12 1 1 A 138 138 GLU N N 138 123.997 118.998 4.999 1
1 1661 . 12 1 1 A 138 138 GLU H H 138 7.268 8.337 -1.069 1
1 1662 . 12 1 1 A 138 138 GLU CA C 138 59.222 58.768 0.454 1
1 1663 . 12 1 1 A 138 138 GLU HA H 138 4.161 4.155 0.006 1
1 1664 . 12 1 1 A 138 138 GLU CB C 138 29.644 28.830 0.814 1
1 1670 . 12 1 1 A 139 139 ALA N N 139 121.713 121.013 0.700 1
1 1671 . 12 1 1 A 139 139 ALA H H 139 8.830 7.780 1.050 1
1 1672 . 12 1 1 A 139 139 ALA CA C 139 52.894 50.955 1.939 1
1 1673 . 12 1 1 A 139 139 ALA HA H 139 4.334 4.489 -0.155 1
1 1674 . 12 1 1 A 139 139 ALA CB C 139 17.362 19.118 -1.756 1
1 1678 . 12 1 1 A 139 139 ALA C C 139 176.943 176.208 0.735 1
1 1679 . 12 1 1 A 140 140 THR N N 140 107.901 108.711 -0.810 1
1 1680 . 12 1 1 A 140 140 THR H H 140 7.809 7.618 0.191 1
1 1681 . 12 1 1 A 140 140 THR CA C 140 61.013 59.993 1.020 1
1 1682 . 12 1 1 A 140 140 THR HA H 140 4.164 4.862 -0.698 1
1 1683 . 12 1 1 A 140 140 THR CB C 140 72.698 72.565 0.133 1
1 1689 . 12 1 1 A 140 140 THR C C 140 174.222 173.392 0.830 1
1 1690 . 12 1 1 A 141 141 ASP N N 141 120.212 118.280 1.932 1
1 1691 . 12 1 1 A 141 141 ASP H H 141 8.959 8.545 0.414 1
1 1692 . 12 1 1 A 141 141 ASP CA C 141 53.333 53.851 -0.518 1
1 1693 . 12 1 1 A 141 141 ASP HA H 141 4.991 4.982 0.009 1
1 1694 . 12 1 1 A 141 141 ASP CB C 141 40.660 41.508 -0.848 1
1 1697 . 12 1 1 A 141 141 ASP C C 141 175.403 174.122 1.281 1
1 1698 . 12 1 1 A 142 142 ILE N N 142 120.815 120.822 -0.007 1
1 1699 . 12 1 1 A 142 142 ILE H H 142 7.444 7.662 -0.218 1
1 1700 . 12 1 1 A 142 142 ILE CA C 142 62.338 59.794 2.544 1
1 1701 . 12 1 1 A 142 142 ILE HA H 142 4.131 4.898 -0.767 1
1 1702 . 12 1 1 A 142 142 ILE CB C 142 38.703 40.675 -1.972 1
1 1715 . 12 1 1 A 142 142 ILE C C 142 175.399 174.748 0.651 1
1 1716 . 12 1 1 A 143 143 LYS N N 143 129.106 125.661 3.445 1
1 1717 . 12 1 1 A 143 143 LYS H H 143 8.588 9.340 -0.752 1
1 1718 . 12 1 1 A 143 143 LYS CA C 143 55.725 54.981 0.744 1
1 1719 . 12 1 1 A 143 143 LYS HA H 143 4.444 4.857 -0.413 1
1 1720 . 12 1 1 A 143 143 LYS CB C 143 33.768 34.876 -1.108 1
1 1732 . 12 1 1 A 143 143 LYS C C 143 174.820 175.086 -0.266 1
1 1733 . 12 1 1 A 144 144 ILE N N 144 122.496 124.141 -1.645 1
1 1734 . 12 1 1 A 144 144 ILE H H 144 7.884 8.875 -0.991 1
1 1735 . 12 1 1 A 144 144 ILE CA C 144 59.861 59.910 -0.049 1
1 1736 . 12 1 1 A 144 144 ILE HA H 144 4.937 5.141 -0.204 1
1 1737 . 12 1 1 A 144 144 ILE CB C 144 40.518 40.285 0.233 1
1 1750 . 12 1 1 A 144 144 ILE C C 144 175.232 175.157 0.075 1
1 1751 . 12 1 1 A 145 145 THR N N 145 126.667 122.852 3.815 1
1 1752 . 12 1 1 A 145 145 THR H H 145 9.100 8.610 0.490 1
1 1753 . 12 1 1 A 145 145 THR CA C 145 61.374 61.747 -0.373 1
1 1754 . 12 1 1 A 145 145 THR HA H 145 4.992 5.191 -0.199 1
1 1755 . 12 1 1 A 145 145 THR CB C 145 68.907 71.353 -2.446 1
1 1761 . 12 1 1 A 145 145 THR C C 145 173.158 173.425 -0.267 1
1 1762 . 12 1 1 A 146 146 VAL N N 146 127.717 127.276 0.441 1
1 1763 . 12 1 1 A 146 146 VAL H H 146 8.818 9.113 -0.295 1
1 1764 . 12 1 1 A 146 146 VAL CA C 146 59.930 61.283 -1.353 1
1 1765 . 12 1 1 A 146 146 VAL HA H 146 5.053 4.827 0.226 1
1 1766 . 12 1 1 A 146 146 VAL CB C 146 32.906 33.188 -0.282 1
1 1776 . 12 1 1 A 146 146 VAL C C 146 175.653 174.931 0.722 1
1 1777 . 12 1 1 A 147 147 TYR N N 147 129.304 126.938 2.366 1
1 1778 . 12 1 1 A 147 147 TYR H H 147 8.926 9.195 -0.269 1
1 1779 . 12 1 1 A 147 147 TYR CA C 147 57.290 57.141 0.149 1
1 1780 . 12 1 1 A 147 147 TYR HA H 147 5.283 5.552 -0.269 1
1 1781 . 12 1 1 A 147 147 TYR CB C 147 40.422 40.237 0.185 1
1 1792 . 12 1 1 A 147 147 TYR C C 147 177.250 175.289 1.961 1
1 1793 . 12 1 1 A 148 148 THR N N 148 116.883 113.972 2.911 1
1 1794 . 12 1 1 A 148 148 THR H H 148 8.607 9.113 -0.506 1
1 1795 . 12 1 1 A 148 148 THR CA C 148 61.560 60.676 0.884 1
1 1796 . 12 1 1 A 148 148 THR HA H 148 4.431 5.117 -0.686 1
1 1797 . 12 1 1 A 148 148 THR CB C 148 70.966 70.721 0.245 1
1 1803 . 12 1 1 A 148 148 THR C C 148 172.797 173.595 -0.798 1
1 1 . 13 1 1 A 5 5 SER CA C 5 58.376 57.696 0.680 1
1 2 . 13 1 1 A 5 5 SER HA H 5 4.528 5.223 -0.695 1
1 3 . 13 1 1 A 5 5 SER CB C 5 63.813 65.800 -1.987 1
1 5 . 13 1 1 A 5 5 SER C C 5 174.968 172.531 2.437 1
1 6 . 13 1 1 A 6 6 SER N N 6 117.996 117.484 0.512 1
1 7 . 13 1 1 A 6 6 SER H H 6 8.503 8.796 -0.293 1
1 8 . 13 1 1 A 6 6 SER CA C 6 58.642 56.517 2.125 1
1 9 . 13 1 1 A 6 6 SER HA H 6 4.526 5.379 -0.853 1
1 10 . 13 1 1 A 6 6 SER CB C 6 63.855 66.428 -2.573 1
1 13 . 13 1 1 A 6 6 SER C C 6 175.129 173.088 2.041 1
1 14 . 13 1 1 A 7 7 GLY N N 7 110.904 110.318 0.586 1
1 15 . 13 1 1 A 7 7 GLY H H 7 8.470 8.368 0.102 1
1 16 . 13 1 1 A 7 7 GLY CA C 7 45.430 45.800 -0.370 1
1 17 . 13 1 1 A 7 7 GLY HA2 H 7 4.030 4.311 -0.281 1
1 18 . 13 1 1 A 7 7 GLY HA3 H 7 4.030 4.313 -0.283 1
1 19 . 13 1 1 A 7 7 GLY C C 7 174.606 172.197 2.409 1
1 20 . 13 1 1 A 8 8 GLY N N 8 108.942 107.101 1.841 1
1 21 . 13 1 1 A 8 8 GLY H H 8 8.286 8.224 0.062 1
1 22 . 13 1 1 A 8 8 GLY CA C 8 45.058 44.269 0.789 1
1 23 . 13 1 1 A 8 8 GLY HA2 H 8 4.027 4.118 -0.091 1
1 24 . 13 1 1 A 8 8 GLY HA3 H 8 4.199 4.128 0.071 1
1 25 . 13 1 1 A 8 8 GLY C C 8 173.943 173.209 0.734 1
1 26 . 13 1 1 A 9 9 SER N N 9 115.435 117.802 -2.367 1
1 27 . 13 1 1 A 9 9 SER H H 9 8.275 8.471 -0.196 1
1 28 . 13 1 1 A 9 9 SER CA C 9 57.847 58.161 -0.314 1
1 29 . 13 1 1 A 9 9 SER HA H 9 4.616 4.500 0.116 1
1 30 . 13 1 1 A 9 9 SER CB C 9 64.102 64.221 -0.119 1
1 33 . 13 1 1 A 9 9 SER C C 9 174.962 175.765 -0.803 1
1 34 . 13 1 1 A 10 10 ARG N N 10 126.156 123.001 3.155 1
1 35 . 13 1 1 A 10 10 ARG H H 10 9.427 8.592 0.835 1
1 36 . 13 1 1 A 10 10 ARG CA C 10 56.662 58.691 -2.029 1
1 37 . 13 1 1 A 10 10 ARG HA H 10 4.332 4.118 0.214 1
1 38 . 13 1 1 A 10 10 ARG CB C 10 30.289 30.822 -0.533 1
1 49 . 13 1 1 A 10 10 ARG C C 10 175.504 176.477 -0.973 1
1 50 . 13 1 1 A 11 11 ILE N N 11 119.127 119.590 -0.463 1
1 51 . 13 1 1 A 11 11 ILE H H 11 8.176 8.106 0.070 1
1 52 . 13 1 1 A 11 11 ILE CA C 11 61.153 60.361 0.792 1
1 53 . 13 1 1 A 11 11 ILE HA H 11 4.553 4.492 0.061 1
1 54 . 13 1 1 A 11 11 ILE CB C 11 39.949 39.302 0.647 1
1 67 . 13 1 1 A 11 11 ILE C C 11 176.134 174.352 1.782 1
1 68 . 13 1 1 A 12 12 THR N N 12 124.682 123.584 1.098 1
1 69 . 13 1 1 A 12 12 THR H H 12 8.534 8.862 -0.328 1
1 70 . 13 1 1 A 12 12 THR CA C 12 61.630 61.062 0.568 1
1 71 . 13 1 1 A 12 12 THR HA H 12 4.359 4.548 -0.189 1
1 72 . 13 1 1 A 12 12 THR CB C 12 70.705 71.702 -0.997 1
1 78 . 13 1 1 A 12 12 THR C C 12 171.804 172.941 -1.137 1
1 79 . 13 1 1 A 13 13 TYR N N 13 124.043 125.658 -1.615 1
1 80 . 13 1 1 A 13 13 TYR H H 13 8.691 8.636 0.055 1
1 81 . 13 1 1 A 13 13 TYR CA C 13 57.846 57.218 0.628 1
1 82 . 13 1 1 A 13 13 TYR HA H 13 5.099 5.438 -0.339 1
1 83 . 13 1 1 A 13 13 TYR CB C 13 39.895 39.889 0.006 1
1 94 . 13 1 1 A 13 13 TYR C C 13 175.924 175.541 0.383 1
1 95 . 13 1 1 A 14 14 VAL N N 14 124.012 122.603 1.409 1
1 96 . 13 1 1 A 14 14 VAL H H 14 8.633 8.975 -0.342 1
1 97 . 13 1 1 A 14 14 VAL CA C 14 60.958 59.857 1.101 1
1 98 . 13 1 1 A 14 14 VAL HA H 14 4.015 4.722 -0.707 1
1 99 . 13 1 1 A 14 14 VAL CB C 14 35.416 35.062 0.354 1
1 109 . 13 1 1 A 14 14 VAL C C 14 173.974 173.948 0.026 1
1 110 . 13 1 1 A 15 15 LYS N N 15 127.960 127.389 0.571 1
1 111 . 13 1 1 A 15 15 LYS H H 15 8.318 8.837 -0.519 1
1 112 . 13 1 1 A 15 15 LYS CA C 15 54.152 55.073 -0.921 1
1 113 . 13 1 1 A 15 15 LYS HA H 15 5.126 5.214 -0.088 1
1 114 . 13 1 1 A 15 15 LYS CB C 15 32.086 33.936 -1.850 1
1 126 . 13 1 1 A 15 15 LYS C C 15 176.050 175.377 0.673 1
1 127 . 13 1 1 A 16 16 GLY N N 16 114.545 112.852 1.693 1
1 128 . 13 1 1 A 16 16 GLY H H 16 8.508 8.385 0.123 1
1 129 . 13 1 1 A 16 16 GLY CA C 16 45.006 44.497 0.509 1
1 130 . 13 1 1 A 16 16 GLY HA2 H 16 4.028 4.175 -0.147 1
1 131 . 13 1 1 A 16 16 GLY HA3 H 16 4.197 4.200 -0.003 1
1 132 . 13 1 1 A 16 16 GLY C C 16 170.957 172.370 -1.413 1
1 133 . 13 1 1 A 17 17 ASP N N 17 119.423 121.163 -1.740 1
1 134 . 13 1 1 A 17 17 ASP H H 17 8.271 8.603 -0.332 1
1 135 . 13 1 1 A 17 17 ASP CA C 17 53.164 55.179 -2.015 1
1 136 . 13 1 1 A 17 17 ASP HA H 17 4.407 4.454 -0.047 1
1 137 . 13 1 1 A 17 17 ASP CB C 17 41.912 41.664 0.248 1
1 140 . 13 1 1 A 17 17 ASP C C 17 176.089 176.068 0.021 1
1 141 . 13 1 1 A 18 18 LEU N N 18 130.056 124.427 5.629 1
1 142 . 13 1 1 A 18 18 LEU H H 18 8.304 8.755 -0.451 1
1 143 . 13 1 1 A 18 18 LEU CA C 18 57.156 55.345 1.811 1
1 144 . 13 1 1 A 18 18 LEU HA H 18 2.425 3.714 -1.289 1
1 145 . 13 1 1 A 18 18 LEU CB C 18 42.959 44.366 -1.407 1
1 158 . 13 1 1 A 18 18 LEU C C 18 175.737 177.816 -2.079 1
1 159 . 13 1 1 A 19 19 PHE N N 19 109.678 116.507 -6.829 1
1 160 . 13 1 1 A 19 19 PHE H H 19 7.461 7.662 -0.201 1
1 161 . 13 1 1 A 19 19 PHE CA C 19 59.844 58.890 0.954 1
1 162 . 13 1 1 A 19 19 PHE HA H 19 3.920 4.479 -0.559 1
1 163 . 13 1 1 A 19 19 PHE CB C 19 36.735 40.639 -3.904 1
1 176 . 13 1 1 A 19 19 PHE C C 19 175.833 176.509 -0.676 1
1 177 . 13 1 1 A 20 20 ALA N N 20 123.506 121.310 2.196 1
1 178 . 13 1 1 A 20 20 ALA H H 20 7.752 7.583 0.169 1
1 179 . 13 1 1 A 20 20 ALA CA C 20 51.160 52.592 -1.432 1
1 180 . 13 1 1 A 20 20 ALA HA H 20 4.518 4.299 0.219 1
1 181 . 13 1 1 A 20 20 ALA CB C 20 18.395 19.516 -1.121 1
1 185 . 13 1 1 A 20 20 ALA C C 20 176.772 179.600 -2.828 1
1 186 . 13 1 1 A 21 21 CYS N N 21 118.823 116.469 2.354 1
1 187 . 13 1 1 A 21 21 CYS H H 21 7.225 7.656 -0.431 1
1 188 . 13 1 1 A 21 21 CYS CA C 21 56.813 63.773 -6.960 1
1 189 . 13 1 1 A 21 21 CYS HA H 21 4.580 4.299 0.281 1
1 190 . 13 1 1 A 21 21 CYS CB C 21 25.916 27.663 -1.747 1
1 193 . 13 1 1 A 21 21 CYS C C 21 170.919 175.355 -4.436 1
1 194 . 13 1 1 A 22 22 PRO CA C 22 64.000 62.822 1.178 1
1 195 . 13 1 1 A 22 22 PRO HA H 22 4.373 4.603 -0.230 1
1 196 . 13 1 1 A 22 22 PRO CB C 22 31.802 32.485 -0.683 1
1 205 . 13 1 1 A 22 22 PRO C C 22 178.609 176.407 2.202 1
1 206 . 13 1 1 A 23 23 LYS N N 23 122.870 122.179 0.691 1
1 207 . 13 1 1 A 23 23 LYS H H 23 8.785 8.834 -0.049 1
1 208 . 13 1 1 A 23 23 LYS CA C 23 58.671 57.363 1.308 1
1 209 . 13 1 1 A 23 23 LYS HA H 23 4.103 4.472 -0.369 1
1 210 . 13 1 1 A 23 23 LYS CB C 23 32.078 34.169 -2.091 1
1 222 . 13 1 1 A 23 23 LYS C C 23 175.722 177.805 -2.083 1
1 223 . 13 1 1 A 24 24 THR N N 24 102.744 112.276 -9.532 1
1 224 . 13 1 1 A 24 24 THR H H 24 7.097 8.051 -0.954 1
1 225 . 13 1 1 A 24 24 THR CA C 24 61.064 62.262 -1.198 1
1 226 . 13 1 1 A 24 24 THR HA H 24 4.166 4.605 -0.439 1
1 227 . 13 1 1 A 24 24 THR CB C 24 68.805 71.400 -2.595 1
1 233 . 13 1 1 A 24 24 THR C C 24 176.216 174.346 1.870 1
1 234 . 13 1 1 A 25 25 ASP N N 25 125.303 122.899 2.404 1
1 235 . 13 1 1 A 25 25 ASP H H 25 7.768 7.717 0.051 1
1 236 . 13 1 1 A 25 25 ASP CA C 25 55.246 54.707 0.539 1
1 237 . 13 1 1 A 25 25 ASP HA H 25 4.536 4.558 -0.022 1
1 238 . 13 1 1 A 25 25 ASP CB C 25 40.321 40.995 -0.674 1
1 241 . 13 1 1 A 25 25 ASP C C 25 177.718 176.112 1.606 1
1 242 . 13 1 1 A 26 26 SER N N 26 118.303 118.553 -0.250 1
1 243 . 13 1 1 A 26 26 SER H H 26 8.472 8.560 -0.088 1
1 244 . 13 1 1 A 26 26 SER CA C 26 61.547 58.576 2.971 1
1 245 . 13 1 1 A 26 26 SER HA H 26 5.138 4.596 0.542 1
1 246 . 13 1 1 A 26 26 SER CB C 26 65.326 64.196 1.130 1
1 249 . 13 1 1 A 26 26 SER C C 26 172.446 173.590 -1.144 1
1 250 . 13 1 1 A 27 27 LEU N N 27 121.957 121.827 0.130 1
1 251 . 13 1 1 A 27 27 LEU H H 27 8.553 8.320 0.233 1
1 252 . 13 1 1 A 27 27 LEU CA C 27 53.919 53.723 0.196 1
1 253 . 13 1 1 A 27 27 LEU HA H 27 6.004 5.734 0.270 1
1 254 . 13 1 1 A 27 27 LEU CB C 27 48.728 45.751 2.977 1
1 267 . 13 1 1 A 27 27 LEU C C 27 176.071 175.805 0.266 1
1 268 . 13 1 1 A 28 28 ALA N N 28 119.120 123.312 -4.192 1
1 269 . 13 1 1 A 28 28 ALA H H 28 8.083 8.987 -0.904 1
1 270 . 13 1 1 A 28 28 ALA CA C 28 50.738 50.621 0.117 1
1 271 . 13 1 1 A 28 28 ALA HA H 28 5.833 5.445 0.388 1
1 272 . 13 1 1 A 28 28 ALA CB C 28 24.493 22.938 1.555 1
1 276 . 13 1 1 A 28 28 ALA C C 28 174.396 175.586 -1.190 1
1 277 . 13 1 1 A 29 29 HIS N N 29 111.296 120.534 -9.238 1
1 278 . 13 1 1 A 29 29 HIS H H 29 8.042 8.217 -0.175 1
1 279 . 13 1 1 A 29 29 HIS CA C 29 55.617 56.016 -0.399 1
1 280 . 13 1 1 A 29 29 HIS HA H 29 4.552 4.802 -0.250 1
1 281 . 13 1 1 A 29 29 HIS CB C 29 31.644 32.454 -0.810 1
1 288 . 13 1 1 A 29 29 HIS C C 29 172.453 173.003 -0.550 1
1 289 . 13 1 1 A 30 30 CYS N N 30 115.842 120.763 -4.921 1
1 290 . 13 1 1 A 30 30 CYS H H 30 8.182 7.997 0.185 1
1 291 . 13 1 1 A 30 30 CYS CA C 30 57.610 57.052 0.558 1
1 292 . 13 1 1 A 30 30 CYS HA H 30 5.489 5.279 0.210 1
1 293 . 13 1 1 A 30 30 CYS CB C 30 30.518 29.197 1.321 1
1 296 . 13 1 1 A 30 30 CYS C C 30 175.085 173.815 1.270 1
1 297 . 13 1 1 A 31 31 ILE N N 31 117.447 121.685 -4.238 1
1 298 . 13 1 1 A 31 31 ILE H H 31 9.209 9.295 -0.086 1
1 299 . 13 1 1 A 31 31 ILE CA C 31 60.057 58.639 1.418 1
1 300 . 13 1 1 A 31 31 ILE HA H 31 4.816 5.068 -0.252 1
1 301 . 13 1 1 A 31 31 ILE CB C 31 43.206 42.478 0.728 1
1 314 . 13 1 1 A 31 31 ILE C C 31 173.249 175.231 -1.982 1
1 315 . 13 1 1 A 32 32 SER N N 32 111.596 115.943 -4.347 1
1 316 . 13 1 1 A 32 32 SER H H 32 7.858 8.183 -0.325 1
1 317 . 13 1 1 A 32 32 SER CA C 32 55.599 56.288 -0.689 1
1 318 . 13 1 1 A 32 32 SER HA H 32 5.139 5.105 0.034 1
1 319 . 13 1 1 A 32 32 SER CB C 32 66.377 65.927 0.450 1
1 322 . 13 1 1 A 32 32 SER C C 32 176.120 175.656 0.464 1
1 323 . 13 1 1 A 33 33 GLU N N 33 118.525 119.778 -1.253 1
1 324 . 13 1 1 A 33 33 GLU H H 33 8.189 8.578 -0.389 1
1 325 . 13 1 1 A 33 33 GLU CA C 33 59.273 58.779 0.494 1
1 326 . 13 1 1 A 33 33 GLU HA H 33 3.759 4.099 -0.340 1
1 327 . 13 1 1 A 33 33 GLU CB C 33 30.553 29.209 1.344 1
1 333 . 13 1 1 A 33 33 GLU C C 33 177.446 178.067 -0.621 1
1 334 . 13 1 1 A 34 34 ASP N N 34 113.498 117.486 -3.988 1
1 335 . 13 1 1 A 34 34 ASP H H 34 7.480 7.997 -0.517 1
1 336 . 13 1 1 A 34 34 ASP CA C 34 54.511 55.003 -0.492 1
1 337 . 13 1 1 A 34 34 ASP HA H 34 4.342 4.601 -0.259 1
1 338 . 13 1 1 A 34 34 ASP CB C 34 40.374 41.027 -0.653 1
1 341 . 13 1 1 A 34 34 ASP C C 34 175.854 175.609 0.245 1
1 342 . 13 1 1 A 35 35 CYS N N 35 111.837 116.774 -4.937 1
1 343 . 13 1 1 A 35 35 CYS H H 35 8.327 7.893 0.434 1
1 344 . 13 1 1 A 35 35 CYS CA C 35 61.093 60.459 0.634 1
1 345 . 13 1 1 A 35 35 CYS HA H 35 3.772 4.288 -0.516 1
1 346 . 13 1 1 A 35 35 CYS CB C 35 25.679 25.967 -0.288 1
1 349 . 13 1 1 A 35 35 CYS C C 35 173.370 174.495 -1.125 1
1 350 . 13 1 1 A 36 36 ARG N N 36 117.440 118.401 -0.961 1
1 351 . 13 1 1 A 36 36 ARG H H 36 7.473 8.311 -0.838 1
1 352 . 13 1 1 A 36 36 ARG CA C 36 57.988 58.498 -0.510 1
1 353 . 13 1 1 A 36 36 ARG HA H 36 3.981 4.288 -0.307 1
1 354 . 13 1 1 A 36 36 ARG CB C 36 30.430 30.834 -0.404 1
1 363 . 13 1 1 A 36 36 ARG C C 36 177.233 176.727 0.506 1
1 364 . 13 1 1 A 37 37 MET CA C 37 56.118 56.155 -0.037 1
1 365 . 13 1 1 A 37 37 MET HA H 37 4.036 4.241 -0.205 1
1 373 . 13 1 1 A 38 38 GLY H H 38 8.192 8.281 -0.089 1
1 374 . 13 1 1 A 38 38 GLY CA C 38 45.670 46.017 -0.347 1
1 375 . 13 1 1 A 38 38 GLY HA2 H 38 4.220 3.927 0.293 1
1 376 . 13 1 1 A 38 38 GLY HA3 H 38 3.595 3.936 -0.341 1
1 377 . 13 1 1 A 38 38 GLY C C 38 173.799 173.567 0.232 1
1 378 . 13 1 1 A 39 39 ALA N N 39 122.002 121.845 0.157 1
1 379 . 13 1 1 A 39 39 ALA H H 39 7.697 7.685 0.012 1
1 380 . 13 1 1 A 39 39 ALA CA C 39 51.019 51.473 -0.454 1
1 381 . 13 1 1 A 39 39 ALA HA H 39 4.678 4.646 0.032 1
1 382 . 13 1 1 A 39 39 ALA CB C 39 22.608 22.550 0.058 1
1 386 . 13 1 1 A 39 39 ALA C C 39 176.769 177.394 -0.625 1
1 387 . 13 1 1 A 40 40 GLY N N 40 107.149 107.733 -0.584 1
1 388 . 13 1 1 A 40 40 GLY H H 40 8.731 8.749 -0.018 1
1 389 . 13 1 1 A 40 40 GLY CA C 40 45.768 46.108 -0.340 1
1 390 . 13 1 1 A 40 40 GLY HA2 H 40 3.957 4.024 -0.067 1
1 391 . 13 1 1 A 40 40 GLY HA3 H 40 4.220 4.034 0.186 1
1 392 . 13 1 1 A 40 40 GLY C C 40 176.747 175.145 1.602 1
1 393 . 13 1 1 A 41 41 ILE CA C 41 63.397 63.125 0.272 1
1 394 . 13 1 1 A 41 41 ILE HA H 41 4.312 4.083 0.229 1
1 395 . 13 1 1 A 41 41 ILE CB C 41 38.794 38.081 0.713 1
1 408 . 13 1 1 A 41 41 ILE C C 41 177.249 177.892 -0.643 1
1 409 . 13 1 1 A 42 42 ALA N N 42 124.835 123.891 0.944 1
1 410 . 13 1 1 A 42 42 ALA H H 42 8.629 8.254 0.375 1
1 411 . 13 1 1 A 42 42 ALA CA C 42 55.599 54.921 0.678 1
1 412 . 13 1 1 A 42 42 ALA HA H 42 4.377 3.678 0.699 1
1 413 . 13 1 1 A 42 42 ALA CB C 42 18.155 18.264 -0.109 1
1 417 . 13 1 1 A 42 42 ALA C C 42 179.079 180.310 -1.231 1
1 418 . 13 1 1 A 43 43 VAL N N 43 116.015 118.743 -2.728 1
1 419 . 13 1 1 A 43 43 VAL H H 43 7.363 7.890 -0.527 1
1 420 . 13 1 1 A 43 43 VAL CA C 43 65.623 66.937 -1.314 1
1 421 . 13 1 1 A 43 43 VAL HA H 43 3.822 3.544 0.278 1
1 422 . 13 1 1 A 43 43 VAL CB C 43 32.408 31.387 1.021 1
1 432 . 13 1 1 A 43 43 VAL C C 43 178.285 178.025 0.260 1
1 433 . 13 1 1 A 44 44 LEU N N 44 119.736 119.719 0.017 1
1 434 . 13 1 1 A 44 44 LEU H H 44 7.357 8.231 -0.874 1
1 435 . 13 1 1 A 44 44 LEU CA C 44 57.460 58.068 -0.608 1
1 436 . 13 1 1 A 44 44 LEU HA H 44 3.968 3.817 0.151 1
1 437 . 13 1 1 A 44 44 LEU CB C 44 41.234 41.538 -0.304 1
1 450 . 13 1 1 A 44 44 LEU C C 44 179.972 179.255 0.717 1
1 451 . 13 1 1 A 45 45 PHE N N 45 118.434 118.224 0.210 1
1 452 . 13 1 1 A 45 45 PHE H H 45 7.733 8.018 -0.285 1
1 453 . 13 1 1 A 45 45 PHE CA C 45 63.151 60.917 2.234 1
1 454 . 13 1 1 A 45 45 PHE HA H 45 4.009 4.043 -0.034 1
1 455 . 13 1 1 A 45 45 PHE CB C 45 39.883 38.887 0.996 1
1 468 . 13 1 1 A 45 45 PHE C C 45 180.448 178.644 1.804 1
1 469 . 13 1 1 A 46 46 LYS N N 46 124.749 118.441 6.308 1
1 470 . 13 1 1 A 46 46 LYS H H 46 8.819 7.925 0.894 1
1 471 . 13 1 1 A 46 46 LYS CA C 46 60.958 58.821 2.137 1
1 472 . 13 1 1 A 46 46 LYS HA H 46 4.160 4.192 -0.032 1
1 473 . 13 1 1 A 46 46 LYS CB C 46 31.930 31.709 0.221 1
1 485 . 13 1 1 A 46 46 LYS C C 46 179.139 178.437 0.702 1
1 486 . 13 1 1 A 47 47 LYS N N 47 119.317 118.872 0.445 1
1 487 . 13 1 1 A 47 47 LYS H H 47 8.154 7.671 0.483 1
1 488 . 13 1 1 A 47 47 LYS CA C 47 59.331 57.821 1.510 1
1 489 . 13 1 1 A 47 47 LYS HA H 47 3.939 4.282 -0.343 1
1 490 . 13 1 1 A 47 47 LYS CB C 47 33.065 33.348 -0.283 1
1 502 . 13 1 1 A 47 47 LYS C C 47 178.108 178.772 -0.664 1
1 503 . 13 1 1 A 48 48 LYS N N 48 116.005 119.104 -3.099 1
1 504 . 13 1 1 A 48 48 LYS H H 48 7.976 8.068 -0.092 1
1 505 . 13 1 1 A 48 48 LYS CA C 48 58.650 58.916 -0.266 1
1 506 . 13 1 1 A 48 48 LYS HA H 48 3.684 3.681 0.003 1
1 507 . 13 1 1 A 48 48 LYS CB C 48 32.372 31.189 1.183 1
1 519 . 13 1 1 A 48 48 LYS C C 48 178.213 177.956 0.257 1
1 520 . 13 1 1 A 49 49 PHE N N 49 112.629 114.708 -2.079 1
1 521 . 13 1 1 A 49 49 PHE H H 49 7.658 7.745 -0.087 1
1 522 . 13 1 1 A 49 49 PHE CA C 49 56.958 59.581 -2.623 1
1 523 . 13 1 1 A 49 49 PHE HA H 49 5.028 4.532 0.496 1
1 524 . 13 1 1 A 49 49 PHE CB C 49 40.496 40.193 0.303 1
1 537 . 13 1 1 A 49 49 PHE C C 49 176.188 176.887 -0.699 1
1 538 . 13 1 1 A 50 50 GLY N N 50 108.499 108.107 0.392 1
1 539 . 13 1 1 A 50 50 GLY H H 50 7.821 8.074 -0.253 1
1 540 . 13 1 1 A 50 50 GLY CA C 50 46.579 47.027 -0.448 1
1 541 . 13 1 1 A 50 50 GLY HA2 H 50 3.953 3.961 -0.008 1
1 542 . 13 1 1 A 50 50 GLY HA3 H 50 3.953 3.992 -0.039 1
1 543 . 13 1 1 A 50 50 GLY C C 50 174.288 175.788 -1.500 1
1 544 . 13 1 1 A 51 51 GLY N N 51 108.968 109.389 -0.421 1
1 545 . 13 1 1 A 51 51 GLY H H 51 8.600 8.295 0.305 1
1 546 . 13 1 1 A 51 51 GLY CA C 51 46.597 47.112 -0.515 1
1 547 . 13 1 1 A 51 51 GLY HA2 H 51 3.943 3.883 0.060 1
1 548 . 13 1 1 A 51 51 GLY HA3 H 51 4.047 3.889 0.158 1
1 549 . 13 1 1 A 51 51 GLY C C 51 174.522 175.643 -1.121 1
1 550 . 13 1 1 A 52 52 VAL N N 52 118.929 119.623 -0.694 1
1 551 . 13 1 1 A 52 52 VAL H H 52 7.980 8.030 -0.050 1
1 552 . 13 1 1 A 52 52 VAL CA C 52 68.080 65.760 2.320 1
1 553 . 13 1 1 A 52 52 VAL HA H 52 3.334 3.762 -0.428 1
1 554 . 13 1 1 A 52 52 VAL CB C 52 31.150 31.446 -0.296 1
1 564 . 13 1 1 A 52 52 VAL C C 52 177.566 177.878 -0.312 1
1 565 . 13 1 1 A 53 53 GLN N N 53 116.880 121.771 -4.891 1
1 566 . 13 1 1 A 53 53 GLN H H 53 8.513 7.988 0.525 1
1 567 . 13 1 1 A 53 53 GLN CA C 53 58.730 58.729 0.001 1
1 568 . 13 1 1 A 53 53 GLN HA H 53 3.946 3.962 -0.016 1
1 569 . 13 1 1 A 53 53 GLN CB C 53 28.098 28.191 -0.093 1
1 578 . 13 1 1 A 53 53 GLN C C 53 177.916 178.346 -0.430 1
1 579 . 13 1 1 A 54 54 GLU N N 54 119.584 119.427 0.157 1
1 580 . 13 1 1 A 54 54 GLU H H 54 7.525 8.116 -0.591 1
1 581 . 13 1 1 A 54 54 GLU CA C 54 59.754 59.097 0.657 1
1 582 . 13 1 1 A 54 54 GLU HA H 54 3.980 4.015 -0.035 1
1 583 . 13 1 1 A 54 54 GLU CB C 54 29.509 29.343 0.166 1
1 589 . 13 1 1 A 54 54 GLU C C 54 180.168 179.567 0.601 1
1 590 . 13 1 1 A 55 55 LEU N N 55 121.130 120.442 0.688 1
1 591 . 13 1 1 A 55 55 LEU H H 55 8.437 7.932 0.505 1
1 592 . 13 1 1 A 55 55 LEU CA C 55 58.005 57.546 0.459 1
1 593 . 13 1 1 A 55 55 LEU HA H 55 3.870 3.955 -0.085 1
1 594 . 13 1 1 A 55 55 LEU CB C 55 42.588 41.493 1.095 1
1 607 . 13 1 1 A 55 55 LEU C C 55 180.835 179.511 1.324 1
1 608 . 13 1 1 A 56 56 LEU N N 56 123.508 118.900 4.608 1
1 609 . 13 1 1 A 56 56 LEU H H 56 8.664 7.858 0.806 1
1 610 . 13 1 1 A 56 56 LEU CA C 56 58.397 57.828 0.569 1
1 611 . 13 1 1 A 56 56 LEU HA H 56 3.972 3.911 0.061 1
1 612 . 13 1 1 A 56 56 LEU CB C 56 42.087 40.929 1.158 1
1 625 . 13 1 1 A 56 56 LEU C C 56 181.257 179.216 2.041 1
1 626 . 13 1 1 A 57 57 ASN N N 57 116.946 118.500 -1.554 1
1 627 . 13 1 1 A 57 57 ASN H H 57 8.334 8.238 0.096 1
1 628 . 13 1 1 A 57 57 ASN CA C 57 54.627 56.320 -1.693 1
1 629 . 13 1 1 A 57 57 ASN HA H 57 4.566 4.470 0.096 1
1 630 . 13 1 1 A 57 57 ASN CB C 57 38.170 37.988 0.182 1
1 636 . 13 1 1 A 57 57 ASN C C 57 176.756 177.060 -0.304 1
1 637 . 13 1 1 A 58 58 GLN N N 58 118.214 116.759 1.455 1
1 638 . 13 1 1 A 58 58 GLN H H 58 7.670 7.546 0.124 1
1 639 . 13 1 1 A 58 58 GLN CA C 58 58.022 55.891 2.131 1
1 640 . 13 1 1 A 58 58 GLN HA H 58 4.184 4.306 -0.122 1
1 641 . 13 1 1 A 58 58 GLN CB C 58 28.460 29.122 -0.662 1
1 650 . 13 1 1 A 58 58 GLN C C 58 175.792 175.543 0.249 1
1 651 . 13 1 1 A 59 59 GLN N N 59 114.113 116.166 -2.053 1
1 652 . 13 1 1 A 59 59 GLN H H 59 7.825 8.237 -0.412 1
1 653 . 13 1 1 A 59 59 GLN CA C 59 56.584 56.966 -0.382 1
1 654 . 13 1 1 A 59 59 GLN HA H 59 4.015 3.822 0.193 1
1 655 . 13 1 1 A 59 59 GLN CB C 59 26.829 26.487 0.342 1
1 664 . 13 1 1 A 59 59 GLN C C 59 175.049 175.156 -0.107 1
1 665 . 13 1 1 A 60 60 LYS N N 60 118.472 118.959 -0.487 1
1 666 . 13 1 1 A 60 60 LYS H H 60 9.134 8.124 1.010 1
1 667 . 13 1 1 A 60 60 LYS CA C 60 54.005 56.828 -2.823 1
1 668 . 13 1 1 A 60 60 LYS HA H 60 4.458 4.304 0.154 1
1 669 . 13 1 1 A 60 60 LYS CB C 60 32.573 33.823 -1.250 1
1 681 . 13 1 1 A 60 60 LYS C C 60 176.936 175.697 1.239 1
1 682 . 13 1 1 A 61 61 LYS N N 61 121.877 120.718 1.159 1
1 683 . 13 1 1 A 61 61 LYS H H 61 9.069 8.727 0.342 1
1 684 . 13 1 1 A 61 61 LYS CA C 61 53.421 54.271 -0.850 1
1 685 . 13 1 1 A 61 61 LYS HA H 61 4.517 4.887 -0.370 1
1 686 . 13 1 1 A 61 61 LYS CB C 61 35.816 36.362 -0.546 1
1 698 . 13 1 1 A 61 61 LYS C C 61 175.049 176.083 -1.034 1
1 699 . 13 1 1 A 62 62 SER N N 62 114.153 115.364 -1.211 1
1 700 . 13 1 1 A 62 62 SER H H 62 8.524 8.659 -0.135 1
1 701 . 13 1 1 A 62 62 SER CA C 62 60.959 59.792 1.167 1
1 702 . 13 1 1 A 62 62 SER HA H 62 3.954 4.279 -0.325 1
1 703 . 13 1 1 A 62 62 SER CB C 62 64.374 62.675 1.699 1
1 706 . 13 1 1 A 62 62 SER C C 62 175.660 174.880 0.780 1
1 707 . 13 1 1 A 63 63 GLY N N 63 111.615 113.511 -1.896 1
1 708 . 13 1 1 A 63 63 GLY H H 63 9.308 9.046 0.262 1
1 709 . 13 1 1 A 63 63 GLY CA C 63 44.971 45.142 -0.171 1
1 710 . 13 1 1 A 63 63 GLY HA2 H 63 4.188 4.018 0.170 1
1 711 . 13 1 1 A 63 63 GLY HA3 H 63 4.188 4.023 0.165 1
1 712 . 13 1 1 A 63 63 GLY C C 63 172.420 174.289 -1.869 1
1 713 . 13 1 1 A 64 64 GLU N N 64 117.287 119.887 -2.600 1
1 714 . 13 1 1 A 64 64 GLU H H 64 7.909 7.973 -0.064 1
1 715 . 13 1 1 A 64 64 GLU CA C 64 53.972 55.130 -1.158 1
1 716 . 13 1 1 A 64 64 GLU HA H 64 4.549 4.762 -0.213 1
1 717 . 13 1 1 A 64 64 GLU CB C 64 32.449 32.116 0.333 1
1 723 . 13 1 1 A 64 64 GLU C C 64 174.611 174.972 -0.361 1
1 724 . 13 1 1 A 65 65 VAL N N 65 118.093 121.079 -2.986 1
1 725 . 13 1 1 A 65 65 VAL H H 65 8.337 8.983 -0.646 1
1 726 . 13 1 1 A 65 65 VAL CA C 65 59.380 59.601 -0.221 1
1 727 . 13 1 1 A 65 65 VAL HA H 65 5.149 5.013 0.136 1
1 728 . 13 1 1 A 65 65 VAL CB C 65 35.892 35.833 0.059 1
1 738 . 13 1 1 A 65 65 VAL C C 65 172.013 173.240 -1.227 1
1 739 . 13 1 1 A 66 66 ALA N N 66 130.790 129.567 1.223 1
1 740 . 13 1 1 A 66 66 ALA H H 66 8.876 8.626 0.250 1
1 741 . 13 1 1 A 66 66 ALA CA C 66 50.170 50.181 -0.011 1
1 742 . 13 1 1 A 66 66 ALA HA H 66 4.879 5.358 -0.479 1
1 743 . 13 1 1 A 66 66 ALA CB C 66 21.291 20.792 0.499 1
1 747 . 13 1 1 A 66 66 ALA C C 66 175.997 176.076 -0.079 1
1 748 . 13 1 1 A 67 67 VAL N N 67 119.453 122.537 -3.084 1
1 749 . 13 1 1 A 67 67 VAL H H 67 8.615 8.673 -0.058 1
1 750 . 13 1 1 A 67 67 VAL CA C 67 61.078 61.234 -0.156 1
1 751 . 13 1 1 A 67 67 VAL HA H 67 5.255 4.945 0.310 1
1 752 . 13 1 1 A 67 67 VAL CB C 67 36.283 33.864 2.419 1
1 762 . 13 1 1 A 67 67 VAL C C 67 176.213 174.331 1.882 1
1 763 . 13 1 1 A 68 68 LEU N N 68 126.404 129.330 -2.926 1
1 764 . 13 1 1 A 68 68 LEU H H 68 9.013 8.532 0.481 1
1 765 . 13 1 1 A 68 68 LEU CA C 68 53.424 53.849 -0.425 1
1 766 . 13 1 1 A 68 68 LEU HA H 68 4.809 4.950 -0.141 1
1 767 . 13 1 1 A 68 68 LEU CB C 68 46.473 46.003 0.470 1
1 780 . 13 1 1 A 68 68 LEU C C 68 174.704 174.225 0.479 1
1 781 . 13 1 1 A 69 69 LYS N N 69 123.462 128.050 -4.588 1
1 782 . 13 1 1 A 69 69 LYS H H 69 8.756 8.819 -0.063 1
1 783 . 13 1 1 A 69 69 LYS CA C 69 55.228 55.614 -0.386 1
1 784 . 13 1 1 A 69 69 LYS HA H 69 4.791 4.785 0.006 1
1 785 . 13 1 1 A 69 69 LYS CB C 69 33.820 32.537 1.283 1
1 797 . 13 1 1 A 69 69 LYS C C 69 177.387 175.558 1.829 1
1 798 . 13 1 1 A 70 70 ARG N N 70 127.852 126.975 0.877 1
1 799 . 13 1 1 A 70 70 ARG H H 70 8.688 8.576 0.112 1
1 800 . 13 1 1 A 70 70 ARG CA C 70 52.929 58.769 -5.840 1
1 801 . 13 1 1 A 70 70 ARG CB C 70 34.028 30.573 3.455 1
1 809 . 13 1 1 A 70 70 ARG C C 70 175.460 177.077 -1.617 1
1 810 . 13 1 1 A 71 71 ASP CA C 71 55.193 55.890 -0.697 1
1 811 . 13 1 1 A 71 71 ASP HA H 71 4.268 4.942 -0.674 1
1 812 . 13 1 1 A 71 71 ASP CB C 71 40.326 42.997 -2.671 1
1 815 . 13 1 1 A 71 71 ASP C C 71 175.970 177.250 -1.280 1
1 816 . 13 1 1 A 72 72 GLY N N 72 104.319 105.774 -1.455 1
1 817 . 13 1 1 A 72 72 GLY H H 72 8.642 7.700 0.942 1
1 818 . 13 1 1 A 72 72 GLY CA C 72 45.692 45.594 0.098 1
1 819 . 13 1 1 A 72 72 GLY HA2 H 72 4.062 4.021 0.041 1
1 820 . 13 1 1 A 72 72 GLY HA3 H 72 3.516 4.032 -0.516 1
1 821 . 13 1 1 A 72 72 GLY C C 72 172.604 173.879 -1.275 1
1 822 . 13 1 1 A 73 73 ARG N N 73 118.257 117.568 0.689 1
1 823 . 13 1 1 A 73 73 ARG H H 73 7.794 7.573 0.221 1
1 824 . 13 1 1 A 73 73 ARG CA C 73 52.893 53.655 -0.762 1
1 825 . 13 1 1 A 73 73 ARG HA H 73 4.560 4.492 0.068 1
1 826 . 13 1 1 A 73 73 ARG CB C 73 31.831 33.576 -1.745 1
1 837 . 13 1 1 A 73 73 ARG C C 73 173.057 173.604 -0.547 1
1 838 . 13 1 1 A 74 74 TYR N N 74 117.830 119.355 -1.525 1
1 839 . 13 1 1 A 74 74 TYR H H 74 8.366 8.293 0.073 1
1 840 . 13 1 1 A 74 74 TYR CA C 74 57.987 56.469 1.518 1
1 841 . 13 1 1 A 74 74 TYR HA H 74 5.005 5.052 -0.047 1
1 842 . 13 1 1 A 74 74 TYR CB C 74 40.473 38.928 1.545 1
1 853 . 13 1 1 A 74 74 TYR C C 74 173.530 174.894 -1.364 1
1 854 . 13 1 1 A 75 75 ILE N N 75 120.880 125.303 -4.423 1
1 855 . 13 1 1 A 75 75 ILE H H 75 8.923 8.400 0.523 1
1 856 . 13 1 1 A 75 75 ILE CA C 75 59.632 61.316 -1.684 1
1 857 . 13 1 1 A 75 75 ILE HA H 75 4.398 4.370 0.028 1
1 858 . 13 1 1 A 75 75 ILE CB C 75 37.608 37.948 -0.340 1
1 871 . 13 1 1 A 75 75 ILE C C 75 174.203 175.260 -1.057 1
1 872 . 13 1 1 A 76 76 TYR N N 76 125.586 128.108 -2.522 1
1 873 . 13 1 1 A 76 76 TYR H H 76 9.540 9.112 0.428 1
1 874 . 13 1 1 A 76 76 TYR CA C 76 59.137 56.942 2.195 1
1 875 . 13 1 1 A 76 76 TYR HA H 76 4.630 5.638 -1.008 1
1 876 . 13 1 1 A 76 76 TYR CB C 76 39.909 41.319 -1.410 1
1 887 . 13 1 1 A 76 76 TYR C C 76 174.280 174.949 -0.669 1
1 888 . 13 1 1 A 77 77 TYR N N 77 123.524 121.501 2.023 1
1 889 . 13 1 1 A 77 77 TYR H H 77 9.221 9.055 0.166 1
1 890 . 13 1 1 A 77 77 TYR CA C 77 55.476 56.543 -1.067 1
1 891 . 13 1 1 A 77 77 TYR HA H 77 4.155 5.181 -1.026 1
1 892 . 13 1 1 A 77 77 TYR CB C 77 35.926 39.544 -3.618 1
1 903 . 13 1 1 A 77 77 TYR C C 77 174.236 175.041 -0.805 1
1 904 . 13 1 1 A 78 78 LEU N N 78 123.875 125.863 -1.988 1
1 905 . 13 1 1 A 78 78 LEU H H 78 8.948 8.627 0.321 1
1 906 . 13 1 1 A 78 78 LEU CA C 78 55.635 55.906 -0.271 1
1 907 . 13 1 1 A 78 78 LEU HA H 78 4.134 4.400 -0.266 1
1 908 . 13 1 1 A 78 78 LEU CB C 78 40.856 41.875 -1.019 1
1 921 . 13 1 1 A 78 78 LEU C C 78 175.294 176.240 -0.946 1
1 922 . 13 1 1 A 79 79 ILE N N 79 127.986 124.961 3.025 1
1 923 . 13 1 1 A 79 79 ILE H H 79 8.322 8.608 -0.286 1
1 924 . 13 1 1 A 79 79 ILE CA C 79 59.349 60.100 -0.751 1
1 925 . 13 1 1 A 79 79 ILE HA H 79 4.372 4.981 -0.609 1
1 926 . 13 1 1 A 79 79 ILE CB C 79 34.277 39.093 -4.816 1
1 939 . 13 1 1 A 79 79 ILE C C 79 176.505 176.035 0.470 1
1 940 . 13 1 1 A 80 80 THR N N 80 113.978 118.263 -4.285 1
1 941 . 13 1 1 A 80 80 THR H H 80 8.276 8.317 -0.041 1
1 942 . 13 1 1 A 80 80 THR CA C 80 61.646 62.273 -0.627 1
1 943 . 13 1 1 A 80 80 THR HA H 80 4.334 4.598 -0.264 1
1 944 . 13 1 1 A 80 80 THR CB C 80 69.165 70.091 -0.926 1
1 950 . 13 1 1 A 80 80 THR C C 80 172.999 174.354 -1.355 1
1 951 . 13 1 1 A 81 81 LYS N N 81 114.856 119.598 -4.742 1
1 952 . 13 1 1 A 81 81 LYS H H 81 7.512 7.646 -0.134 1
1 953 . 13 1 1 A 81 81 LYS CA C 81 54.894 54.993 -0.099 1
1 954 . 13 1 1 A 81 81 LYS HA H 81 4.649 4.837 -0.188 1
1 955 . 13 1 1 A 81 81 LYS CB C 81 34.139 34.841 -0.702 1
1 964 . 13 1 1 A 81 81 LYS C C 81 175.344 176.513 -1.169 1
1 965 . 13 1 1 A 82 82 LYS N N 82 121.209 120.549 0.660 1
1 966 . 13 1 1 A 82 82 LYS H H 82 9.577 8.977 0.600 1
1 967 . 13 1 1 A 82 82 LYS CA C 82 60.198 57.750 2.448 1
1 968 . 13 1 1 A 82 82 LYS HA H 82 3.884 4.344 -0.460 1
1 969 . 13 1 1 A 82 82 LYS CB C 82 33.603 33.748 -0.145 1
1 981 . 13 1 1 A 82 82 LYS C C 82 176.049 175.888 0.161 1
1 982 . 13 1 1 A 83 83 ARG N N 83 112.456 117.203 -4.747 1
1 983 . 13 1 1 A 83 83 ARG H H 83 6.717 7.761 -1.044 1
1 984 . 13 1 1 A 83 83 ARG CA C 83 52.451 53.997 -1.546 1
1 985 . 13 1 1 A 83 83 ARG HA H 83 4.691 4.824 -0.133 1
1 986 . 13 1 1 A 83 83 ARG CB C 83 32.857 32.741 0.116 1
1 995 . 13 1 1 A 83 83 ARG C C 83 177.299 176.602 0.697 1
1 996 . 13 1 1 A 84 84 ALA N N 84 124.857 124.876 -0.019 1
1 997 . 13 1 1 A 84 84 ALA H H 84 9.290 8.905 0.385 1
1 998 . 13 1 1 A 84 84 ALA CA C 84 56.005 55.477 0.528 1
1 999 . 13 1 1 A 84 84 ALA HA H 84 3.895 3.949 -0.054 1
1 1000 . 13 1 1 A 84 84 ALA CB C 84 19.175 18.186 0.989 1
1 1004 . 13 1 1 A 84 84 ALA C C 84 178.350 179.316 -0.966 1
1 1005 . 13 1 1 A 85 85 SER CA C 85 58.631 61.297 -2.666 1
1 1006 . 13 1 1 A 85 85 SER HA H 85 4.338 4.040 0.298 1
1 1007 . 13 1 1 A 85 85 SER CB C 85 63.277 62.898 0.379 1
1 1010 . 13 1 1 A 85 85 SER C C 85 175.469 174.418 1.051 1
1 1011 . 13 1 1 A 86 86 HIS N N 86 121.978 117.289 4.689 1
1 1012 . 13 1 1 A 86 86 HIS H H 86 7.560 7.472 0.088 1
1 1013 . 13 1 1 A 86 86 HIS CA C 86 54.468 55.378 -0.910 1
1 1014 . 13 1 1 A 86 86 HIS HA H 86 4.766 4.721 0.045 1
1 1015 . 13 1 1 A 86 86 HIS CB C 86 33.069 30.096 2.973 1
1 1022 . 13 1 1 A 86 86 HIS C C 86 174.466 174.462 0.004 1
1 1023 . 13 1 1 A 87 87 LYS N N 87 122.014 125.513 -3.499 1
1 1024 . 13 1 1 A 87 87 LYS H H 87 8.693 8.672 0.021 1
1 1025 . 13 1 1 A 87 87 LYS CA C 87 53.283 54.602 -1.319 1
1 1026 . 13 1 1 A 87 87 LYS HA H 87 4.792 4.470 0.322 1
1 1027 . 13 1 1 A 87 87 LYS CB C 87 32.803 31.878 0.925 1
1 1037 . 13 1 1 A 87 87 LYS C C 87 175.072 174.696 0.376 1
1 1038 . 13 1 1 A 88 88 PRO CA C 88 62.515 62.782 -0.267 1
1 1039 . 13 1 1 A 88 88 PRO HA H 88 4.796 4.691 0.105 1
1 1040 . 13 1 1 A 88 88 PRO CB C 88 32.687 32.270 0.417 1
1 1049 . 13 1 1 A 88 88 PRO C C 88 175.319 176.183 -0.864 1
1 1050 . 13 1 1 A 89 89 THR N N 89 107.501 112.380 -4.879 1
1 1051 . 13 1 1 A 89 89 THR H H 89 7.933 8.244 -0.311 1
1 1052 . 13 1 1 A 89 89 THR CA C 89 58.518 59.789 -1.271 1
1 1053 . 13 1 1 A 89 89 THR HA H 89 4.758 4.582 0.176 1
1 1054 . 13 1 1 A 89 89 THR CB C 89 70.861 71.404 -0.543 1
1 1060 . 13 1 1 A 89 89 THR C C 89 175.662 175.502 0.160 1
1 1061 . 13 1 1 A 90 90 TYR N N 90 120.845 124.105 -3.260 1
1 1062 . 13 1 1 A 90 90 TYR H H 90 8.751 8.764 -0.013 1
1 1063 . 13 1 1 A 90 90 TYR CA C 90 63.195 61.798 1.397 1
1 1064 . 13 1 1 A 90 90 TYR HA H 90 4.064 4.156 -0.092 1
1 1065 . 13 1 1 A 90 90 TYR CB C 90 37.372 38.180 -0.808 1
1 1076 . 13 1 1 A 90 90 TYR C C 90 178.063 178.116 -0.053 1
1 1077 . 13 1 1 A 91 91 GLU N N 91 118.210 119.953 -1.743 1
1 1078 . 13 1 1 A 91 91 GLU H H 91 8.857 8.386 0.471 1
1 1079 . 13 1 1 A 91 91 GLU CA C 91 60.312 59.763 0.549 1
1 1080 . 13 1 1 A 91 91 GLU HA H 91 4.114 4.021 0.093 1
1 1081 . 13 1 1 A 91 91 GLU CB C 91 29.276 29.492 -0.216 1
1 1087 . 13 1 1 A 91 91 GLU C C 91 178.970 179.318 -0.348 1
1 1088 . 13 1 1 A 92 92 ASN N N 92 117.220 118.678 -1.458 1
1 1089 . 13 1 1 A 92 92 ASN H H 92 7.894 7.810 0.084 1
1 1090 . 13 1 1 A 92 92 ASN CA C 92 55.334 56.400 -1.066 1
1 1091 . 13 1 1 A 92 92 ASN HA H 92 4.696 4.561 0.135 1
1 1092 . 13 1 1 A 92 92 ASN CB C 92 37.704 38.064 -0.360 1
1 1098 . 13 1 1 A 92 92 ASN C C 92 178.155 177.887 0.268 1
1 1099 . 13 1 1 A 93 93 LEU N N 93 121.622 121.507 0.115 1
1 1100 . 13 1 1 A 93 93 LEU H H 93 8.038 8.121 -0.083 1
1 1101 . 13 1 1 A 93 93 LEU CA C 93 58.495 58.712 -0.217 1
1 1102 . 13 1 1 A 93 93 LEU HA H 93 4.092 4.004 0.088 1
1 1103 . 13 1 1 A 93 93 LEU CB C 93 41.383 42.005 -0.622 1
1 1116 . 13 1 1 A 93 93 LEU C C 93 177.808 178.415 -0.607 1
1 1117 . 13 1 1 A 94 94 GLN N N 94 120.352 118.250 2.102 1
1 1118 . 13 1 1 A 94 94 GLN H H 94 8.792 8.222 0.570 1
1 1119 . 13 1 1 A 94 94 GLN CA C 94 61.099 59.307 1.792 1
1 1120 . 13 1 1 A 94 94 GLN HA H 94 3.721 4.003 -0.282 1
1 1121 . 13 1 1 A 94 94 GLN CB C 94 27.560 28.846 -1.286 1
1 1130 . 13 1 1 A 94 94 GLN C C 94 178.042 178.442 -0.400 1
1 1131 . 13 1 1 A 95 95 LYS N N 95 117.824 118.489 -0.665 1
1 1132 . 13 1 1 A 95 95 LYS H H 95 7.803 7.781 0.022 1
1 1133 . 13 1 1 A 95 95 LYS CA C 95 60.222 59.386 0.836 1
1 1134 . 13 1 1 A 95 95 LYS HA H 95 4.012 4.002 0.010 1
1 1135 . 13 1 1 A 95 95 LYS CB C 95 33.168 32.387 0.781 1
1 1147 . 13 1 1 A 95 95 LYS C C 95 179.868 179.215 0.653 1
1 1148 . 13 1 1 A 96 96 SER N N 96 118.301 116.275 2.026 1
1 1149 . 13 1 1 A 96 96 SER H H 96 8.251 8.208 0.043 1
1 1150 . 13 1 1 A 96 96 SER CA C 96 63.668 62.424 1.244 1
1 1151 . 13 1 1 A 96 96 SER HA H 96 3.710 4.156 -0.446 1
1 1152 . 13 1 1 A 96 96 SER CB C 96 62.882 62.991 -0.109 1
1 1155 . 13 1 1 A 96 96 SER C C 96 176.400 176.345 0.055 1
1 1156 . 13 1 1 A 97 97 LEU N N 97 122.701 121.237 1.464 1
1 1157 . 13 1 1 A 97 97 LEU H H 97 8.467 8.233 0.234 1
1 1158 . 13 1 1 A 97 97 LEU CA C 97 58.323 57.933 0.390 1
1 1159 . 13 1 1 A 97 97 LEU HA H 97 3.861 4.035 -0.174 1
1 1160 . 13 1 1 A 97 97 LEU CB C 97 42.995 41.359 1.636 1
1 1173 . 13 1 1 A 97 97 LEU C C 97 178.941 179.277 -0.336 1
1 1174 . 13 1 1 A 98 98 GLU N N 98 119.918 119.499 0.419 1
1 1175 . 13 1 1 A 98 98 GLU H H 98 8.410 8.386 0.024 1
1 1176 . 13 1 1 A 98 98 GLU CA C 98 59.561 59.193 0.368 1
1 1177 . 13 1 1 A 98 98 GLU HA H 98 3.622 3.920 -0.298 1
1 1178 . 13 1 1 A 98 98 GLU CB C 98 29.142 28.886 0.256 1
1 1184 . 13 1 1 A 98 98 GLU C C 98 179.137 178.936 0.201 1
1 1185 . 13 1 1 A 99 99 ALA N N 99 124.193 123.078 1.115 1
1 1186 . 13 1 1 A 99 99 ALA H H 99 8.197 7.947 0.250 1
1 1187 . 13 1 1 A 99 99 ALA CA C 99 55.016 55.013 0.003 1
1 1188 . 13 1 1 A 99 99 ALA HA H 99 4.247 4.157 0.090 1
1 1189 . 13 1 1 A 99 99 ALA CB C 99 17.815 18.379 -0.564 1
1 1193 . 13 1 1 A 99 99 ALA C C 99 181.133 179.701 1.432 1
1 1194 . 13 1 1 A 100 100 MET N N 100 122.009 118.453 3.556 1
1 1195 . 13 1 1 A 100 100 MET H H 100 8.482 7.782 0.700 1
1 1196 . 13 1 1 A 100 100 MET CA C 100 59.826 58.265 1.561 1
1 1197 . 13 1 1 A 100 100 MET HA H 100 3.714 3.987 -0.273 1
1 1198 . 13 1 1 A 100 100 MET CB C 100 32.944 32.038 0.906 1
1 1208 . 13 1 1 A 100 100 MET C C 100 176.658 177.884 -1.226 1
1 1209 . 13 1 1 A 101 101 LYS N N 101 120.991 118.538 2.453 1
1 1210 . 13 1 1 A 101 101 LYS H H 101 8.721 7.612 1.109 1
1 1211 . 13 1 1 A 101 101 LYS CA C 101 60.563 58.809 1.754 1
1 1212 . 13 1 1 A 101 101 LYS HA H 101 3.614 3.959 -0.345 1
1 1213 . 13 1 1 A 101 101 LYS CB C 101 30.759 31.956 -1.197 1
1 1225 . 13 1 1 A 101 101 LYS C C 101 177.419 178.264 -0.845 1
1 1226 . 13 1 1 A 102 102 SER N N 102 111.833 114.718 -2.885 1
1 1227 . 13 1 1 A 102 102 SER H H 102 8.005 7.503 0.502 1
1 1228 . 13 1 1 A 102 102 SER CA C 102 61.993 61.768 0.225 1
1 1229 . 13 1 1 A 102 102 SER HA H 102 4.082 4.097 -0.015 1
1 1230 . 13 1 1 A 102 102 SER CB C 102 62.863 63.069 -0.206 1
1 1233 . 13 1 1 A 102 102 SER C C 102 176.601 176.807 -0.206 1
1 1234 . 13 1 1 A 103 103 HIS N N 103 121.793 120.916 0.877 1
1 1235 . 13 1 1 A 103 103 HIS H H 103 7.605 7.882 -0.277 1
1 1236 . 13 1 1 A 103 103 HIS CA C 103 62.090 59.681 2.409 1
1 1237 . 13 1 1 A 103 103 HIS HA H 103 4.000 4.283 -0.283 1
1 1238 . 13 1 1 A 103 103 HIS CB C 103 30.652 29.891 0.761 1
1 1245 . 13 1 1 A 103 103 HIS C C 103 179.129 176.651 2.478 1
1 1246 . 13 1 1 A 104 104 CYS N N 104 119.421 116.571 2.850 1
1 1247 . 13 1 1 A 104 104 CYS H H 104 9.261 7.873 1.388 1
1 1248 . 13 1 1 A 104 104 CYS CA C 104 63.841 63.613 0.228 1
1 1249 . 13 1 1 A 104 104 CYS HA H 104 4.105 4.147 -0.042 1
1 1250 . 13 1 1 A 104 104 CYS CB C 104 27.916 27.121 0.795 1
1 1253 . 13 1 1 A 104 104 CYS C C 104 178.176 177.309 0.867 1
1 1254 . 13 1 1 A 105 105 LEU N N 105 117.129 120.671 -3.542 1
1 1255 . 13 1 1 A 105 105 LEU H H 105 8.331 7.945 0.386 1
1 1256 . 13 1 1 A 105 105 LEU CA C 105 57.262 58.059 -0.797 1
1 1257 . 13 1 1 A 105 105 LEU HA H 105 4.245 3.974 0.271 1
1 1258 . 13 1 1 A 105 105 LEU CB C 105 42.030 41.956 0.074 1
1 1271 . 13 1 1 A 105 105 LEU C C 105 180.635 178.971 1.664 1
1 1272 . 13 1 1 A 106 106 LYS N N 106 118.583 116.980 1.603 1
1 1273 . 13 1 1 A 106 106 LYS H H 106 7.638 8.210 -0.572 1
1 1274 . 13 1 1 A 106 106 LYS CA C 106 58.075 60.206 -2.131 1
1 1275 . 13 1 1 A 106 106 LYS HA H 106 4.140 3.879 0.261 1
1 1276 . 13 1 1 A 106 106 LYS CB C 106 33.191 32.275 0.916 1
1 1288 . 13 1 1 A 106 106 LYS C C 106 177.466 178.828 -1.362 1
1 1289 . 13 1 1 A 107 107 ASN N N 107 113.320 114.858 -1.538 1
1 1290 . 13 1 1 A 107 107 ASN H H 107 7.606 7.966 -0.360 1
1 1291 . 13 1 1 A 107 107 ASN CA C 107 53.813 54.835 -1.022 1
1 1292 . 13 1 1 A 107 107 ASN HA H 107 4.841 4.616 0.225 1
1 1293 . 13 1 1 A 107 107 ASN CB C 107 39.785 38.616 1.169 1
1 1299 . 13 1 1 A 107 107 ASN C C 107 174.443 176.092 -1.649 1
1 1300 . 13 1 1 A 108 108 GLY N N 108 109.386 104.492 4.894 1
1 1301 . 13 1 1 A 108 108 GLY H H 108 7.667 7.925 -0.258 1
1 1302 . 13 1 1 A 108 108 GLY CA C 108 47.252 45.147 2.105 1
1 1303 . 13 1 1 A 108 108 GLY HA2 H 108 4.023 4.108 -0.085 1
1 1304 . 13 1 1 A 108 108 GLY HA3 H 108 4.023 4.120 -0.097 1
1 1305 . 13 1 1 A 108 108 GLY C C 108 174.436 174.490 -0.054 1
1 1306 . 13 1 1 A 109 109 VAL N N 109 122.758 121.199 1.559 1
1 1307 . 13 1 1 A 109 109 VAL H H 109 8.480 8.089 0.391 1
1 1308 . 13 1 1 A 109 109 VAL CA C 109 63.788 61.764 2.024 1
1 1309 . 13 1 1 A 109 109 VAL HA H 109 4.094 4.279 -0.185 1
1 1310 . 13 1 1 A 109 109 VAL CB C 109 32.931 30.756 2.175 1
1 1320 . 13 1 1 A 109 109 VAL C C 109 176.089 175.408 0.681 1
1 1321 . 13 1 1 A 110 110 THR N N 110 115.431 123.609 -8.178 1
1 1322 . 13 1 1 A 110 110 THR H H 110 8.995 9.124 -0.129 1
1 1323 . 13 1 1 A 110 110 THR CA C 110 62.045 61.676 0.369 1
1 1324 . 13 1 1 A 110 110 THR HA H 110 4.515 4.597 -0.082 1
1 1325 . 13 1 1 A 110 110 THR CB C 110 70.758 69.440 1.318 1
1 1331 . 13 1 1 A 110 110 THR C C 110 173.700 172.902 0.798 1
1 1332 . 13 1 1 A 111 111 ASP N N 111 123.757 121.383 2.374 1
1 1333 . 13 1 1 A 111 111 ASP H H 111 8.123 7.853 0.270 1
1 1334 . 13 1 1 A 111 111 ASP CA C 111 54.747 53.665 1.082 1
1 1335 . 13 1 1 A 111 111 ASP HA H 111 5.527 5.370 0.157 1
1 1336 . 13 1 1 A 111 111 ASP CB C 111 43.928 44.836 -0.908 1
1 1339 . 13 1 1 A 111 111 ASP C C 111 172.807 173.682 -0.875 1
1 1340 . 13 1 1 A 112 112 LEU N N 112 123.145 124.851 -1.706 1
1 1341 . 13 1 1 A 112 112 LEU H H 112 8.671 8.687 -0.016 1
1 1342 . 13 1 1 A 112 112 LEU CA C 112 52.953 53.926 -0.973 1
1 1343 . 13 1 1 A 112 112 LEU HA H 112 5.213 5.103 0.110 1
1 1344 . 13 1 1 A 112 112 LEU CB C 112 47.875 46.511 1.364 1
1 1357 . 13 1 1 A 112 112 LEU C C 112 176.803 173.935 2.868 1
1 1358 . 13 1 1 A 113 113 SER N N 113 122.973 121.262 1.711 1
1 1359 . 13 1 1 A 113 113 SER H H 113 9.473 8.283 1.190 1
1 1360 . 13 1 1 A 113 113 SER CA C 113 59.207 57.259 1.948 1
1 1361 . 13 1 1 A 113 113 SER HA H 113 6.070 5.645 0.425 1
1 1362 . 13 1 1 A 113 113 SER CB C 113 67.023 65.999 1.024 1
1 1365 . 13 1 1 A 113 113 SER C C 113 172.066 173.297 -1.231 1
1 1366 . 13 1 1 A 114 114 MET N N 114 118.476 121.859 -3.383 1
1 1367 . 13 1 1 A 114 114 MET H H 114 9.080 8.722 0.358 1
1 1368 . 13 1 1 A 114 114 MET CA C 114 54.007 53.649 0.358 1
1 1369 . 13 1 1 A 114 114 MET HA H 114 5.435 5.008 0.427 1
1 1370 . 13 1 1 A 114 114 MET CB C 114 34.867 35.822 -0.955 1
1 1380 . 13 1 1 A 114 114 MET C C 114 172.934 174.135 -1.201 1
1 1381 . 13 1 1 A 115 115 PRO CA C 115 62.262 62.221 0.041 1
1 1382 . 13 1 1 A 115 115 PRO HA H 115 5.593 4.629 0.964 1
1 1383 . 13 1 1 A 115 115 PRO CB C 115 32.748 33.194 -0.446 1
1 1392 . 13 1 1 A 115 115 PRO C C 115 175.547 175.847 -0.300 1
1 1393 . 13 1 1 A 116 116 ARG N N 116 116.821 120.679 -3.858 1
1 1394 . 13 1 1 A 116 116 ARG H H 116 8.348 8.426 -0.078 1
1 1395 . 13 1 1 A 116 116 ARG CA C 116 55.785 55.922 -0.137 1
1 1396 . 13 1 1 A 116 116 ARG HA H 116 3.896 4.095 -0.199 1
1 1397 . 13 1 1 A 116 116 ARG CB C 116 27.344 30.427 -3.083 1
1 1406 . 13 1 1 A 116 116 ARG C C 116 176.796 176.071 0.725 1
1 1407 . 13 1 1 A 117 117 ILE N N 117 122.887 119.385 3.502 1
1 1408 . 13 1 1 A 117 117 ILE H H 117 7.989 8.206 -0.217 1
1 1409 . 13 1 1 A 117 117 ILE CA C 117 63.148 58.878 4.270 1
1 1410 . 13 1 1 A 117 117 ILE HA H 117 4.028 4.667 -0.639 1
1 1411 . 13 1 1 A 117 117 ILE CB C 117 40.010 41.089 -1.079 1
1 1424 . 13 1 1 A 117 117 ILE C C 117 174.324 175.799 -1.475 1
1 1425 . 13 1 1 A 118 118 GLY N N 118 107.320 113.185 -5.865 1
1 1426 . 13 1 1 A 118 118 GLY H H 118 8.662 8.852 -0.190 1
1 1427 . 13 1 1 A 118 118 GLY CA C 118 45.752 46.732 -0.980 1
1 1428 . 13 1 1 A 118 118 GLY HA2 H 118 3.693 3.915 -0.222 1
1 1429 . 13 1 1 A 118 118 GLY HA3 H 118 4.226 3.978 0.248 1
1 1430 . 13 1 1 A 118 118 GLY C C 118 172.861 173.824 -0.963 1
1 1431 . 13 1 1 A 119 119 CYS N N 119 115.336 118.393 -3.057 1
1 1432 . 13 1 1 A 119 119 CYS H H 119 7.445 7.462 -0.017 1
1 1433 . 13 1 1 A 119 119 CYS CA C 119 58.753 58.029 0.724 1
1 1434 . 13 1 1 A 119 119 CYS HA H 119 4.831 5.209 -0.378 1
1 1435 . 13 1 1 A 119 119 CYS CB C 119 28.840 30.941 -2.101 1
1 1438 . 13 1 1 A 121 121 LEU CA C 121 57.692 57.202 0.490 1
1 1439 . 13 1 1 A 121 121 LEU HA H 121 4.152 4.125 0.027 1
1 1440 . 13 1 1 A 121 121 LEU CB C 121 41.644 41.953 -0.309 1
1 1453 . 13 1 1 A 123 123 ARG N N 123 107.909 122.790 -14.881 1
1 1454 . 13 1 1 A 123 123 ARG H H 123 7.536 8.575 -1.039 1
1 1455 . 13 1 1 A 123 123 ARG CA C 123 57.775 59.219 -1.444 1
1 1456 . 13 1 1 A 123 123 ARG HA H 123 3.989 3.898 0.091 1
1 1457 . 13 1 1 A 123 123 ARG CB C 123 28.219 30.129 -1.910 1
1 1466 . 13 1 1 A 123 123 ARG C C 123 176.088 177.439 -1.351 1
1 1467 . 13 1 1 A 124 124 LEU N N 124 118.876 121.128 -2.252 1
1 1468 . 13 1 1 A 124 124 LEU H H 124 8.401 7.736 0.665 1
1 1469 . 13 1 1 A 124 124 LEU CA C 124 54.573 55.276 -0.703 1
1 1470 . 13 1 1 A 124 124 LEU HA H 124 4.533 4.341 0.192 1
1 1471 . 13 1 1 A 124 124 LEU CB C 124 39.785 42.523 -2.738 1
1 1484 . 13 1 1 A 124 124 LEU C C 124 175.551 175.745 -0.194 1
1 1485 . 13 1 1 A 125 125 GLN N N 125 116.713 118.487 -1.774 1
1 1486 . 13 1 1 A 125 125 GLN H H 125 7.779 8.983 -1.204 1
1 1487 . 13 1 1 A 125 125 GLN CA C 125 54.609 54.690 -0.081 1
1 1488 . 13 1 1 A 125 125 GLN HA H 125 4.794 5.058 -0.264 1
1 1489 . 13 1 1 A 125 125 GLN CB C 125 30.327 32.500 -2.173 1
1 1498 . 13 1 1 A 125 125 GLN C C 125 177.722 176.151 1.571 1
1 1499 . 13 1 1 A 126 126 TRP N N 126 128.887 125.519 3.368 1
1 1500 . 13 1 1 A 126 126 TRP H H 126 9.755 9.196 0.559 1
1 1501 . 13 1 1 A 126 126 TRP CA C 126 59.962 60.828 -0.866 1
1 1502 . 13 1 1 A 126 126 TRP HA H 126 4.545 4.320 0.225 1
1 1503 . 13 1 1 A 126 126 TRP CB C 126 30.009 29.986 0.023 1
1 1518 . 13 1 1 A 126 126 TRP C C 126 177.057 178.157 -1.100 1
1 1519 . 13 1 1 A 127 127 GLU N N 127 119.568 119.294 0.274 1
1 1520 . 13 1 1 A 127 127 GLU H H 127 9.946 8.348 1.598 1
1 1521 . 13 1 1 A 127 127 GLU CA C 127 60.623 59.373 1.250 1
1 1522 . 13 1 1 A 127 127 GLU HA H 127 3.780 3.936 -0.156 1
1 1523 . 13 1 1 A 127 127 GLU CB C 127 28.594 29.737 -1.143 1
1 1529 . 13 1 1 A 127 127 GLU C C 127 177.905 178.451 -0.546 1
1 1530 . 13 1 1 A 128 128 ASN N N 128 115.229 116.811 -1.582 1
1 1531 . 13 1 1 A 128 128 ASN H H 128 7.159 7.735 -0.576 1
1 1532 . 13 1 1 A 128 128 ASN CA C 128 55.370 55.255 0.115 1
1 1533 . 13 1 1 A 128 128 ASN HA H 128 4.446 4.528 -0.082 1
1 1534 . 13 1 1 A 128 128 ASN CB C 128 38.522 38.411 0.111 1
1 1540 . 13 1 1 A 128 128 ASN C C 128 177.374 177.522 -0.148 1
1 1541 . 13 1 1 A 129 129 VAL N N 129 122.487 120.144 2.343 1
1 1542 . 13 1 1 A 129 129 VAL H H 129 8.033 7.906 0.127 1
1 1543 . 13 1 1 A 129 129 VAL CA C 129 67.289 66.903 0.386 1
1 1544 . 13 1 1 A 129 129 VAL HA H 129 3.489 3.509 -0.020 1
1 1545 . 13 1 1 A 129 129 VAL CB C 129 31.824 31.475 0.349 1
1 1555 . 13 1 1 A 129 129 VAL C C 129 177.209 177.458 -0.249 1
1 1556 . 13 1 1 A 130 130 SER N N 130 115.189 113.697 1.492 1
1 1557 . 13 1 1 A 130 130 SER H H 130 8.550 7.729 0.821 1
1 1558 . 13 1 1 A 130 130 SER CA C 130 61.477 60.779 0.698 1
1 1559 . 13 1 1 A 130 130 SER HA H 130 3.151 3.513 -0.362 1
1 1560 . 13 1 1 A 130 130 SER CB C 130 61.348 61.880 -0.532 1
1 1563 . 13 1 1 A 130 130 SER C C 130 175.971 176.583 -0.612 1
1 1564 . 13 1 1 A 131 131 ALA N N 131 123.596 123.676 -0.080 1
1 1565 . 13 1 1 A 131 131 ALA H H 131 6.551 7.899 -1.348 1
1 1566 . 13 1 1 A 131 131 ALA CA C 131 54.947 55.042 -0.095 1
1 1567 . 13 1 1 A 131 131 ALA HA H 131 4.079 3.892 0.187 1
1 1568 . 13 1 1 A 131 131 ALA CB C 131 18.023 18.085 -0.062 1
1 1572 . 13 1 1 A 131 131 ALA C C 131 179.947 180.241 -0.294 1
1 1573 . 13 1 1 A 132 132 MET N N 132 119.410 116.277 3.133 1
1 1574 . 13 1 1 A 132 132 MET H H 132 7.442 8.003 -0.561 1
1 1575 . 13 1 1 A 132 132 MET CA C 132 58.917 58.062 0.855 1
1 1576 . 13 1 1 A 132 132 MET HA H 132 4.118 4.155 -0.037 1
1 1577 . 13 1 1 A 132 132 MET CB C 132 33.984 31.899 2.085 1
1 1587 . 13 1 1 A 132 132 MET C C 132 178.019 178.930 -0.911 1
1 1588 . 13 1 1 A 133 133 ILE N N 133 120.265 120.811 -0.546 1
1 1589 . 13 1 1 A 133 133 ILE H H 133 8.554 7.442 1.112 1
1 1590 . 13 1 1 A 133 133 ILE CA C 133 66.859 63.969 2.890 1
1 1591 . 13 1 1 A 133 133 ILE HA H 133 3.470 3.989 -0.519 1
1 1592 . 13 1 1 A 133 133 ILE CB C 133 38.240 36.788 1.452 1
1 1605 . 13 1 1 A 133 133 ILE C C 133 177.949 178.047 -0.098 1
1 1606 . 13 1 1 A 134 134 GLU N N 134 117.011 121.423 -4.412 1
1 1607 . 13 1 1 A 134 134 GLU H H 134 8.106 8.218 -0.112 1
1 1608 . 13 1 1 A 134 134 GLU CA C 134 59.844 59.551 0.293 1
1 1609 . 13 1 1 A 134 134 GLU HA H 134 3.919 4.020 -0.101 1
1 1610 . 13 1 1 A 134 134 GLU CB C 134 29.024 29.315 -0.291 1
1 1616 . 13 1 1 A 134 134 GLU C C 134 178.982 179.052 -0.070 1
1 1617 . 13 1 1 A 135 135 GLU N N 135 118.619 119.384 -0.765 1
1 1618 . 13 1 1 A 135 135 GLU H H 135 7.848 8.378 -0.530 1
1 1619 . 13 1 1 A 135 135 GLU CA C 135 59.438 59.406 0.032 1
1 1620 . 13 1 1 A 135 135 GLU HA H 135 4.090 4.104 -0.014 1
1 1621 . 13 1 1 A 135 135 GLU CB C 135 29.948 29.182 0.766 1
1 1627 . 13 1 1 A 135 135 GLU C C 135 179.547 179.086 0.461 1
1 1628 . 13 1 1 A 136 136 VAL N N 136 119.915 121.305 -1.390 1
1 1629 . 13 1 1 A 136 136 VAL H H 136 8.793 7.814 0.979 1
1 1630 . 13 1 1 A 136 136 VAL CA C 136 66.122 65.945 0.177 1
1 1631 . 13 1 1 A 136 136 VAL HA H 136 3.578 3.648 -0.070 1
1 1632 . 13 1 1 A 136 136 VAL CB C 136 31.990 31.651 0.339 1
1 1642 . 13 1 1 A 136 136 VAL C C 136 177.646 177.343 0.303 1
1 1643 . 13 1 1 A 137 137 PHE N N 137 111.913 117.542 -5.629 1
1 1644 . 13 1 1 A 137 137 PHE H H 137 8.009 7.539 0.470 1
1 1645 . 13 1 1 A 137 137 PHE CA C 137 59.545 59.180 0.365 1
1 1646 . 13 1 1 A 137 137 PHE HA H 137 4.197 4.451 -0.254 1
1 1647 . 13 1 1 A 137 137 PHE CB C 137 38.105 39.592 -1.487 1
1 1660 . 13 1 1 A 138 138 GLU N N 138 123.997 118.996 5.001 1
1 1661 . 13 1 1 A 138 138 GLU H H 138 7.268 8.419 -1.151 1
1 1662 . 13 1 1 A 138 138 GLU CA C 138 59.222 58.789 0.433 1
1 1663 . 13 1 1 A 138 138 GLU HA H 138 4.161 4.150 0.011 1
1 1664 . 13 1 1 A 138 138 GLU CB C 138 29.644 28.894 0.750 1
1 1670 . 13 1 1 A 139 139 ALA N N 139 121.713 120.790 0.923 1
1 1671 . 13 1 1 A 139 139 ALA H H 139 8.830 7.950 0.880 1
1 1672 . 13 1 1 A 139 139 ALA CA C 139 52.894 51.114 1.780 1
1 1673 . 13 1 1 A 139 139 ALA HA H 139 4.334 4.495 -0.161 1
1 1674 . 13 1 1 A 139 139 ALA CB C 139 17.362 18.920 -1.558 1
1 1678 . 13 1 1 A 139 139 ALA C C 139 176.943 176.399 0.544 1
1 1679 . 13 1 1 A 140 140 THR N N 140 107.901 108.909 -1.008 1
1 1680 . 13 1 1 A 140 140 THR H H 140 7.809 7.776 0.033 1
1 1681 . 13 1 1 A 140 140 THR CA C 140 61.013 59.807 1.206 1
1 1682 . 13 1 1 A 140 140 THR HA H 140 4.164 4.837 -0.673 1
1 1683 . 13 1 1 A 140 140 THR CB C 140 72.698 72.355 0.343 1
1 1689 . 13 1 1 A 140 140 THR C C 140 174.222 173.581 0.641 1
1 1690 . 13 1 1 A 141 141 ASP N N 141 120.212 119.287 0.925 1
1 1691 . 13 1 1 A 141 141 ASP H H 141 8.959 8.563 0.396 1
1 1692 . 13 1 1 A 141 141 ASP CA C 141 53.333 53.880 -0.547 1
1 1693 . 13 1 1 A 141 141 ASP HA H 141 4.991 4.972 0.019 1
1 1694 . 13 1 1 A 141 141 ASP CB C 141 40.660 41.596 -0.936 1
1 1697 . 13 1 1 A 141 141 ASP C C 141 175.403 174.834 0.569 1
1 1698 . 13 1 1 A 142 142 ILE N N 142 120.815 121.706 -0.891 1
1 1699 . 13 1 1 A 142 142 ILE H H 142 7.444 7.743 -0.299 1
1 1700 . 13 1 1 A 142 142 ILE CA C 142 62.338 59.948 2.390 1
1 1701 . 13 1 1 A 142 142 ILE HA H 142 4.131 4.517 -0.386 1
1 1702 . 13 1 1 A 142 142 ILE CB C 142 38.703 41.105 -2.402 1
1 1715 . 13 1 1 A 142 142 ILE C C 142 175.399 175.202 0.197 1
1 1716 . 13 1 1 A 143 143 LYS N N 143 129.106 123.226 5.880 1
1 1717 . 13 1 1 A 143 143 LYS H H 143 8.588 8.755 -0.167 1
1 1718 . 13 1 1 A 143 143 LYS CA C 143 55.725 54.856 0.869 1
1 1719 . 13 1 1 A 143 143 LYS HA H 143 4.444 5.085 -0.641 1
1 1720 . 13 1 1 A 143 143 LYS CB C 143 33.768 35.150 -1.382 1
1 1732 . 13 1 1 A 143 143 LYS C C 143 174.820 175.252 -0.432 1
1 1733 . 13 1 1 A 144 144 ILE N N 144 122.496 124.088 -1.592 1
1 1734 . 13 1 1 A 144 144 ILE H H 144 7.884 8.617 -0.733 1
1 1735 . 13 1 1 A 144 144 ILE CA C 144 59.861 59.953 -0.092 1
1 1736 . 13 1 1 A 144 144 ILE HA H 144 4.937 5.106 -0.169 1
1 1737 . 13 1 1 A 144 144 ILE CB C 144 40.518 40.963 -0.445 1
1 1750 . 13 1 1 A 144 144 ILE C C 144 175.232 175.033 0.199 1
1 1751 . 13 1 1 A 145 145 THR N N 145 126.667 121.324 5.343 1
1 1752 . 13 1 1 A 145 145 THR H H 145 9.100 8.505 0.595 1
1 1753 . 13 1 1 A 145 145 THR CA C 145 61.374 61.668 -0.294 1
1 1754 . 13 1 1 A 145 145 THR HA H 145 4.992 4.779 0.213 1
1 1755 . 13 1 1 A 145 145 THR CB C 145 68.907 71.639 -2.732 1
1 1761 . 13 1 1 A 145 145 THR C C 145 173.158 173.159 -0.001 1
1 1762 . 13 1 1 A 146 146 VAL N N 146 127.717 127.754 -0.037 1
1 1763 . 13 1 1 A 146 146 VAL H H 146 8.818 9.000 -0.182 1
1 1764 . 13 1 1 A 146 146 VAL CA C 146 59.930 61.223 -1.293 1
1 1765 . 13 1 1 A 146 146 VAL HA H 146 5.053 4.879 0.174 1
1 1766 . 13 1 1 A 146 146 VAL CB C 146 32.906 33.108 -0.202 1
1 1776 . 13 1 1 A 146 146 VAL C C 146 175.653 174.912 0.741 1
1 1777 . 13 1 1 A 147 147 TYR N N 147 129.304 126.885 2.419 1
1 1778 . 13 1 1 A 147 147 TYR H H 147 8.926 9.171 -0.245 1
1 1779 . 13 1 1 A 147 147 TYR CA C 147 57.290 57.076 0.214 1
1 1780 . 13 1 1 A 147 147 TYR HA H 147 5.283 5.362 -0.079 1
1 1781 . 13 1 1 A 147 147 TYR CB C 147 40.422 39.913 0.509 1
1 1792 . 13 1 1 A 147 147 TYR C C 147 177.250 175.390 1.860 1
1 1793 . 13 1 1 A 148 148 THR N N 148 116.883 114.354 2.529 1
1 1794 . 13 1 1 A 148 148 THR H H 148 8.607 9.264 -0.657 1
1 1795 . 13 1 1 A 148 148 THR CA C 148 61.560 60.608 0.952 1
1 1796 . 13 1 1 A 148 148 THR HA H 148 4.431 5.109 -0.678 1
1 1797 . 13 1 1 A 148 148 THR CB C 148 70.966 70.893 0.073 1
1 1803 . 13 1 1 A 148 148 THR C C 148 172.797 173.596 -0.799 1
1 1 . 14 1 1 A 5 5 SER CA C 5 58.376 58.758 -0.382 1
1 2 . 14 1 1 A 5 5 SER HA H 5 4.528 4.147 0.381 1
1 3 . 14 1 1 A 5 5 SER CB C 5 63.813 61.262 2.551 1
1 5 . 14 1 1 A 5 5 SER C C 5 174.968 173.512 1.456 1
1 6 . 14 1 1 A 6 6 SER N N 6 117.996 115.871 2.125 1
1 7 . 14 1 1 A 6 6 SER H H 6 8.503 8.060 0.443 1
1 8 . 14 1 1 A 6 6 SER CA C 6 58.642 58.371 0.271 1
1 9 . 14 1 1 A 6 6 SER HA H 6 4.526 4.572 -0.046 1
1 10 . 14 1 1 A 6 6 SER CB C 6 63.855 63.890 -0.035 1
1 13 . 14 1 1 A 6 6 SER C C 6 175.129 174.270 0.859 1
1 14 . 14 1 1 A 7 7 GLY N N 7 110.904 112.761 -1.857 1
1 15 . 14 1 1 A 7 7 GLY H H 7 8.470 8.531 -0.061 1
1 16 . 14 1 1 A 7 7 GLY CA C 7 45.430 45.025 0.405 1
1 17 . 14 1 1 A 7 7 GLY HA2 H 7 4.030 4.277 -0.247 1
1 18 . 14 1 1 A 7 7 GLY HA3 H 7 4.030 4.277 -0.247 1
1 19 . 14 1 1 A 7 7 GLY C C 7 174.606 174.323 0.283 1
1 20 . 14 1 1 A 8 8 GLY N N 8 108.942 108.729 0.213 1
1 21 . 14 1 1 A 8 8 GLY H H 8 8.286 8.366 -0.080 1
1 22 . 14 1 1 A 8 8 GLY CA C 8 45.058 46.818 -1.760 1
1 23 . 14 1 1 A 8 8 GLY HA2 H 8 4.027 3.901 0.126 1
1 24 . 14 1 1 A 8 8 GLY HA3 H 8 4.199 3.904 0.295 1
1 25 . 14 1 1 A 8 8 GLY C C 8 173.943 174.019 -0.076 1
1 26 . 14 1 1 A 9 9 SER N N 9 115.435 117.988 -2.553 1
1 27 . 14 1 1 A 9 9 SER H H 9 8.275 8.286 -0.011 1
1 28 . 14 1 1 A 9 9 SER CA C 9 57.847 58.200 -0.353 1
1 29 . 14 1 1 A 9 9 SER HA H 9 4.616 4.551 0.065 1
1 30 . 14 1 1 A 9 9 SER CB C 9 64.102 64.867 -0.765 1
1 33 . 14 1 1 A 9 9 SER C C 9 174.962 175.249 -0.287 1
1 34 . 14 1 1 A 10 10 ARG N N 10 126.156 121.322 4.834 1
1 35 . 14 1 1 A 10 10 ARG H H 10 9.427 8.614 0.813 1
1 36 . 14 1 1 A 10 10 ARG CA C 10 56.662 57.391 -0.729 1
1 37 . 14 1 1 A 10 10 ARG HA H 10 4.332 4.302 0.030 1
1 38 . 14 1 1 A 10 10 ARG CB C 10 30.289 30.717 -0.428 1
1 49 . 14 1 1 A 10 10 ARG C C 10 175.504 176.582 -1.078 1
1 50 . 14 1 1 A 11 11 ILE N N 11 119.127 119.589 -0.462 1
1 51 . 14 1 1 A 11 11 ILE H H 11 8.176 7.649 0.527 1
1 52 . 14 1 1 A 11 11 ILE CA C 11 61.153 60.604 0.549 1
1 53 . 14 1 1 A 11 11 ILE HA H 11 4.553 4.232 0.321 1
1 54 . 14 1 1 A 11 11 ILE CB C 11 39.949 39.077 0.872 1
1 67 . 14 1 1 A 11 11 ILE C C 11 176.134 174.559 1.575 1
1 68 . 14 1 1 A 12 12 THR N N 12 124.682 123.934 0.748 1
1 69 . 14 1 1 A 12 12 THR H H 12 8.534 8.525 0.009 1
1 70 . 14 1 1 A 12 12 THR CA C 12 61.630 60.871 0.759 1
1 71 . 14 1 1 A 12 12 THR HA H 12 4.359 4.733 -0.374 1
1 72 . 14 1 1 A 12 12 THR CB C 12 70.705 71.071 -0.366 1
1 78 . 14 1 1 A 12 12 THR C C 12 171.804 172.886 -1.082 1
1 79 . 14 1 1 A 13 13 TYR N N 13 124.043 126.301 -2.258 1
1 80 . 14 1 1 A 13 13 TYR H H 13 8.691 8.588 0.103 1
1 81 . 14 1 1 A 13 13 TYR CA C 13 57.846 57.282 0.564 1
1 82 . 14 1 1 A 13 13 TYR HA H 13 5.099 5.374 -0.275 1
1 83 . 14 1 1 A 13 13 TYR CB C 13 39.895 39.796 0.099 1
1 94 . 14 1 1 A 13 13 TYR C C 13 175.924 175.766 0.158 1
1 95 . 14 1 1 A 14 14 VAL N N 14 124.012 122.969 1.043 1
1 96 . 14 1 1 A 14 14 VAL H H 14 8.633 9.102 -0.469 1
1 97 . 14 1 1 A 14 14 VAL CA C 14 60.958 60.050 0.908 1
1 98 . 14 1 1 A 14 14 VAL HA H 14 4.015 4.670 -0.655 1
1 99 . 14 1 1 A 14 14 VAL CB C 14 35.416 34.514 0.902 1
1 109 . 14 1 1 A 14 14 VAL C C 14 173.974 173.891 0.083 1
1 110 . 14 1 1 A 15 15 LYS N N 15 127.960 127.110 0.850 1
1 111 . 14 1 1 A 15 15 LYS H H 15 8.318 8.779 -0.461 1
1 112 . 14 1 1 A 15 15 LYS CA C 15 54.152 55.092 -0.940 1
1 113 . 14 1 1 A 15 15 LYS HA H 15 5.126 5.192 -0.066 1
1 114 . 14 1 1 A 15 15 LYS CB C 15 32.086 33.990 -1.904 1
1 126 . 14 1 1 A 15 15 LYS C C 15 176.050 175.428 0.622 1
1 127 . 14 1 1 A 16 16 GLY N N 16 114.545 112.662 1.883 1
1 128 . 14 1 1 A 16 16 GLY H H 16 8.508 8.320 0.188 1
1 129 . 14 1 1 A 16 16 GLY CA C 16 45.006 44.196 0.810 1
1 130 . 14 1 1 A 16 16 GLY HA2 H 16 4.028 4.114 -0.086 1
1 131 . 14 1 1 A 16 16 GLY HA3 H 16 4.197 4.155 0.042 1
1 132 . 14 1 1 A 16 16 GLY C C 16 170.957 172.487 -1.530 1
1 133 . 14 1 1 A 17 17 ASP N N 17 119.423 122.042 -2.619 1
1 134 . 14 1 1 A 17 17 ASP H H 17 8.271 8.623 -0.352 1
1 135 . 14 1 1 A 17 17 ASP CA C 17 53.164 55.109 -1.945 1
1 136 . 14 1 1 A 17 17 ASP HA H 17 4.407 4.426 -0.019 1
1 137 . 14 1 1 A 17 17 ASP CB C 17 41.912 41.115 0.797 1
1 140 . 14 1 1 A 17 17 ASP C C 17 176.089 176.025 0.064 1
1 141 . 14 1 1 A 18 18 LEU N N 18 130.056 125.480 4.576 1
1 142 . 14 1 1 A 18 18 LEU H H 18 8.304 8.389 -0.085 1
1 143 . 14 1 1 A 18 18 LEU CA C 18 57.156 56.166 0.990 1
1 144 . 14 1 1 A 18 18 LEU HA H 18 2.425 3.467 -1.042 1
1 145 . 14 1 1 A 18 18 LEU CB C 18 42.959 42.218 0.741 1
1 158 . 14 1 1 A 18 18 LEU C C 18 175.737 177.760 -2.023 1
1 159 . 14 1 1 A 19 19 PHE N N 19 109.678 116.503 -6.825 1
1 160 . 14 1 1 A 19 19 PHE H H 19 7.461 7.049 0.412 1
1 161 . 14 1 1 A 19 19 PHE CA C 19 59.844 59.375 0.469 1
1 162 . 14 1 1 A 19 19 PHE HA H 19 3.920 4.368 -0.448 1
1 163 . 14 1 1 A 19 19 PHE CB C 19 36.735 40.397 -3.662 1
1 176 . 14 1 1 A 19 19 PHE C C 19 175.833 177.777 -1.944 1
1 177 . 14 1 1 A 20 20 ALA N N 20 123.506 121.986 1.520 1
1 178 . 14 1 1 A 20 20 ALA H H 20 7.752 8.060 -0.308 1
1 179 . 14 1 1 A 20 20 ALA CA C 20 51.160 54.896 -3.736 1
1 180 . 14 1 1 A 20 20 ALA HA H 20 4.518 4.066 0.452 1
1 181 . 14 1 1 A 20 20 ALA CB C 20 18.395 18.142 0.253 1
1 185 . 14 1 1 A 20 20 ALA C C 20 176.772 179.796 -3.024 1
1 186 . 14 1 1 A 21 21 CYS N N 21 118.823 114.990 3.833 1
1 187 . 14 1 1 A 21 21 CYS H H 21 7.225 7.731 -0.506 1
1 188 . 14 1 1 A 21 21 CYS CA C 21 56.813 63.740 -6.927 1
1 189 . 14 1 1 A 21 21 CYS HA H 21 4.580 4.277 0.303 1
1 190 . 14 1 1 A 21 21 CYS CB C 21 25.916 27.436 -1.520 1
1 193 . 14 1 1 A 21 21 CYS C C 21 170.919 175.308 -4.389 1
1 194 . 14 1 1 A 22 22 PRO CA C 22 64.000 63.022 0.978 1
1 195 . 14 1 1 A 22 22 PRO HA H 22 4.373 4.563 -0.190 1
1 196 . 14 1 1 A 22 22 PRO CB C 22 31.802 32.353 -0.551 1
1 205 . 14 1 1 A 22 22 PRO C C 22 178.609 176.212 2.397 1
1 206 . 14 1 1 A 23 23 LYS N N 23 122.870 122.164 0.706 1
1 207 . 14 1 1 A 23 23 LYS H H 23 8.785 8.744 0.041 1
1 208 . 14 1 1 A 23 23 LYS CA C 23 58.671 56.520 2.151 1
1 209 . 14 1 1 A 23 23 LYS HA H 23 4.103 4.523 -0.420 1
1 210 . 14 1 1 A 23 23 LYS CB C 23 32.078 35.157 -3.079 1
1 222 . 14 1 1 A 23 23 LYS C C 23 175.722 177.397 -1.675 1
1 223 . 14 1 1 A 24 24 THR N N 24 102.744 105.822 -3.078 1
1 224 . 14 1 1 A 24 24 THR H H 24 7.097 7.744 -0.647 1
1 225 . 14 1 1 A 24 24 THR CA C 24 61.064 61.027 0.037 1
1 226 . 14 1 1 A 24 24 THR HA H 24 4.166 4.599 -0.433 1
1 227 . 14 1 1 A 24 24 THR CB C 24 68.805 70.373 -1.568 1
1 233 . 14 1 1 A 24 24 THR C C 24 176.216 173.629 2.587 1
1 234 . 14 1 1 A 25 25 ASP N N 25 125.303 124.552 0.751 1
1 235 . 14 1 1 A 25 25 ASP H H 25 7.768 7.946 -0.178 1
1 236 . 14 1 1 A 25 25 ASP CA C 25 55.246 53.966 1.280 1
1 237 . 14 1 1 A 25 25 ASP HA H 25 4.536 4.728 -0.192 1
1 238 . 14 1 1 A 25 25 ASP CB C 25 40.321 41.729 -1.408 1
1 241 . 14 1 1 A 25 25 ASP C C 25 177.718 176.153 1.565 1
1 242 . 14 1 1 A 26 26 SER N N 26 118.303 118.989 -0.686 1
1 243 . 14 1 1 A 26 26 SER H H 26 8.472 8.662 -0.190 1
1 244 . 14 1 1 A 26 26 SER CA C 26 61.547 58.842 2.705 1
1 245 . 14 1 1 A 26 26 SER HA H 26 5.138 4.725 0.413 1
1 246 . 14 1 1 A 26 26 SER CB C 26 65.326 64.074 1.252 1
1 249 . 14 1 1 A 26 26 SER C C 26 172.446 174.039 -1.593 1
1 250 . 14 1 1 A 27 27 LEU N N 27 121.957 122.835 -0.878 1
1 251 . 14 1 1 A 27 27 LEU H H 27 8.553 8.207 0.346 1
1 252 . 14 1 1 A 27 27 LEU CA C 27 53.919 53.470 0.449 1
1 253 . 14 1 1 A 27 27 LEU HA H 27 6.004 5.594 0.410 1
1 254 . 14 1 1 A 27 27 LEU CB C 27 48.728 45.660 3.068 1
1 267 . 14 1 1 A 27 27 LEU C C 27 176.071 175.775 0.296 1
1 268 . 14 1 1 A 28 28 ALA N N 28 119.120 121.550 -2.430 1
1 269 . 14 1 1 A 28 28 ALA H H 28 8.083 8.560 -0.477 1
1 270 . 14 1 1 A 28 28 ALA CA C 28 50.738 51.535 -0.797 1
1 271 . 14 1 1 A 28 28 ALA HA H 28 5.833 5.176 0.657 1
1 272 . 14 1 1 A 28 28 ALA CB C 28 24.493 23.129 1.364 1
1 276 . 14 1 1 A 28 28 ALA C C 28 174.396 175.492 -1.096 1
1 277 . 14 1 1 A 29 29 HIS N N 29 111.296 120.331 -9.035 1
1 278 . 14 1 1 A 29 29 HIS H H 29 8.042 8.185 -0.143 1
1 279 . 14 1 1 A 29 29 HIS CA C 29 55.617 55.760 -0.143 1
1 280 . 14 1 1 A 29 29 HIS HA H 29 4.552 4.818 -0.266 1
1 281 . 14 1 1 A 29 29 HIS CB C 29 31.644 31.662 -0.018 1
1 288 . 14 1 1 A 29 29 HIS C C 29 172.453 172.816 -0.363 1
1 289 . 14 1 1 A 30 30 CYS N N 30 115.842 120.580 -4.738 1
1 290 . 14 1 1 A 30 30 CYS H H 30 8.182 7.380 0.802 1
1 291 . 14 1 1 A 30 30 CYS CA C 30 57.610 56.845 0.765 1
1 292 . 14 1 1 A 30 30 CYS HA H 30 5.489 5.449 0.040 1
1 293 . 14 1 1 A 30 30 CYS CB C 30 30.518 29.201 1.317 1
1 296 . 14 1 1 A 30 30 CYS C C 30 175.085 173.961 1.124 1
1 297 . 14 1 1 A 31 31 ILE N N 31 117.447 120.088 -2.641 1
1 298 . 14 1 1 A 31 31 ILE H H 31 9.209 9.270 -0.061 1
1 299 . 14 1 1 A 31 31 ILE CA C 31 60.057 58.712 1.345 1
1 300 . 14 1 1 A 31 31 ILE HA H 31 4.816 5.038 -0.222 1
1 301 . 14 1 1 A 31 31 ILE CB C 31 43.206 42.555 0.651 1
1 314 . 14 1 1 A 31 31 ILE C C 31 173.249 175.159 -1.910 1
1 315 . 14 1 1 A 32 32 SER N N 32 111.596 116.436 -4.840 1
1 316 . 14 1 1 A 32 32 SER H H 32 7.858 8.336 -0.478 1
1 317 . 14 1 1 A 32 32 SER CA C 32 55.599 56.539 -0.940 1
1 318 . 14 1 1 A 32 32 SER HA H 32 5.139 5.298 -0.159 1
1 319 . 14 1 1 A 32 32 SER CB C 32 66.377 66.412 -0.035 1
1 322 . 14 1 1 A 32 32 SER C C 32 176.120 175.894 0.226 1
1 323 . 14 1 1 A 33 33 GLU N N 33 118.525 119.761 -1.236 1
1 324 . 14 1 1 A 33 33 GLU H H 33 8.189 8.764 -0.575 1
1 325 . 14 1 1 A 33 33 GLU CA C 33 59.273 59.614 -0.341 1
1 326 . 14 1 1 A 33 33 GLU HA H 33 3.759 4.087 -0.328 1
1 327 . 14 1 1 A 33 33 GLU CB C 33 30.553 29.289 1.264 1
1 333 . 14 1 1 A 33 33 GLU C C 33 177.446 177.320 0.126 1
1 334 . 14 1 1 A 34 34 ASP N N 34 113.498 116.792 -3.294 1
1 335 . 14 1 1 A 34 34 ASP H H 34 7.480 7.574 -0.094 1
1 336 . 14 1 1 A 34 34 ASP CA C 34 54.511 54.037 0.474 1
1 337 . 14 1 1 A 34 34 ASP HA H 34 4.342 4.760 -0.418 1
1 338 . 14 1 1 A 34 34 ASP CB C 34 40.374 40.732 -0.358 1
1 341 . 14 1 1 A 34 34 ASP C C 34 175.854 174.804 1.050 1
1 342 . 14 1 1 A 35 35 CYS N N 35 111.837 115.877 -4.040 1
1 343 . 14 1 1 A 35 35 CYS H H 35 8.327 7.772 0.555 1
1 344 . 14 1 1 A 35 35 CYS CA C 35 61.093 60.033 1.060 1
1 345 . 14 1 1 A 35 35 CYS HA H 35 3.772 4.147 -0.375 1
1 346 . 14 1 1 A 35 35 CYS CB C 35 25.679 26.175 -0.496 1
1 349 . 14 1 1 A 35 35 CYS C C 35 173.370 174.466 -1.096 1
1 350 . 14 1 1 A 36 36 ARG N N 36 117.440 119.023 -1.583 1
1 351 . 14 1 1 A 36 36 ARG H H 36 7.473 7.783 -0.310 1
1 352 . 14 1 1 A 36 36 ARG CA C 36 57.988 59.226 -1.238 1
1 353 . 14 1 1 A 36 36 ARG HA H 36 3.981 4.072 -0.091 1
1 354 . 14 1 1 A 36 36 ARG CB C 36 30.430 30.156 0.274 1
1 363 . 14 1 1 A 36 36 ARG C C 36 177.233 176.695 0.538 1
1 364 . 14 1 1 A 37 37 MET CA C 37 56.118 56.298 -0.180 1
1 365 . 14 1 1 A 37 37 MET HA H 37 4.036 4.287 -0.251 1
1 373 . 14 1 1 A 38 38 GLY H H 38 8.192 8.326 -0.134 1
1 374 . 14 1 1 A 38 38 GLY CA C 38 45.670 46.028 -0.358 1
1 375 . 14 1 1 A 38 38 GLY HA2 H 38 4.220 3.996 0.224 1
1 376 . 14 1 1 A 38 38 GLY HA3 H 38 3.595 4.015 -0.420 1
1 377 . 14 1 1 A 38 38 GLY C C 38 173.799 173.242 0.557 1
1 378 . 14 1 1 A 39 39 ALA N N 39 122.002 121.894 0.108 1
1 379 . 14 1 1 A 39 39 ALA H H 39 7.697 7.763 -0.066 1
1 380 . 14 1 1 A 39 39 ALA CA C 39 51.019 51.654 -0.635 1
1 381 . 14 1 1 A 39 39 ALA HA H 39 4.678 4.665 0.013 1
1 382 . 14 1 1 A 39 39 ALA CB C 39 22.608 22.558 0.050 1
1 386 . 14 1 1 A 39 39 ALA C C 39 176.769 177.415 -0.646 1
1 387 . 14 1 1 A 40 40 GLY N N 40 107.149 110.598 -3.449 1
1 388 . 14 1 1 A 40 40 GLY H H 40 8.731 8.887 -0.156 1
1 389 . 14 1 1 A 40 40 GLY CA C 40 45.768 46.638 -0.870 1
1 390 . 14 1 1 A 40 40 GLY HA2 H 40 3.957 3.986 -0.029 1
1 391 . 14 1 1 A 40 40 GLY HA3 H 40 4.220 4.004 0.216 1
1 392 . 14 1 1 A 40 40 GLY C C 40 176.747 175.274 1.473 1
1 393 . 14 1 1 A 41 41 ILE CA C 41 63.397 63.300 0.097 1
1 394 . 14 1 1 A 41 41 ILE HA H 41 4.312 4.095 0.217 1
1 395 . 14 1 1 A 41 41 ILE CB C 41 38.794 37.650 1.144 1
1 408 . 14 1 1 A 41 41 ILE C C 41 177.249 178.066 -0.817 1
1 409 . 14 1 1 A 42 42 ALA N N 42 124.835 123.246 1.589 1
1 410 . 14 1 1 A 42 42 ALA H H 42 8.629 8.383 0.246 1
1 411 . 14 1 1 A 42 42 ALA CA C 42 55.599 54.873 0.726 1
1 412 . 14 1 1 A 42 42 ALA HA H 42 4.377 4.158 0.219 1
1 413 . 14 1 1 A 42 42 ALA CB C 42 18.155 18.591 -0.436 1
1 417 . 14 1 1 A 42 42 ALA C C 42 179.079 180.365 -1.286 1
1 418 . 14 1 1 A 43 43 VAL N N 43 116.015 119.200 -3.185 1
1 419 . 14 1 1 A 43 43 VAL H H 43 7.363 7.829 -0.466 1
1 420 . 14 1 1 A 43 43 VAL CA C 43 65.623 66.976 -1.353 1
1 421 . 14 1 1 A 43 43 VAL HA H 43 3.822 3.614 0.208 1
1 422 . 14 1 1 A 43 43 VAL CB C 43 32.408 31.505 0.903 1
1 432 . 14 1 1 A 43 43 VAL C C 43 178.285 178.093 0.192 1
1 433 . 14 1 1 A 44 44 LEU N N 44 119.736 120.349 -0.613 1
1 434 . 14 1 1 A 44 44 LEU H H 44 7.357 7.935 -0.578 1
1 435 . 14 1 1 A 44 44 LEU CA C 44 57.460 58.216 -0.756 1
1 436 . 14 1 1 A 44 44 LEU HA H 44 3.968 3.912 0.056 1
1 437 . 14 1 1 A 44 44 LEU CB C 44 41.234 41.755 -0.521 1
1 450 . 14 1 1 A 44 44 LEU C C 44 179.972 179.439 0.533 1
1 451 . 14 1 1 A 45 45 PHE N N 45 118.434 118.060 0.374 1
1 452 . 14 1 1 A 45 45 PHE H H 45 7.733 8.362 -0.629 1
1 453 . 14 1 1 A 45 45 PHE CA C 45 63.151 61.237 1.914 1
1 454 . 14 1 1 A 45 45 PHE HA H 45 4.009 4.180 -0.171 1
1 455 . 14 1 1 A 45 45 PHE CB C 45 39.883 38.988 0.895 1
1 468 . 14 1 1 A 45 45 PHE C C 45 180.448 178.936 1.512 1
1 469 . 14 1 1 A 46 46 LYS N N 46 124.749 118.000 6.749 1
1 470 . 14 1 1 A 46 46 LYS H H 46 8.819 8.320 0.499 1
1 471 . 14 1 1 A 46 46 LYS CA C 46 60.958 58.865 2.093 1
1 472 . 14 1 1 A 46 46 LYS HA H 46 4.160 4.196 -0.036 1
1 473 . 14 1 1 A 46 46 LYS CB C 46 31.930 31.983 -0.053 1
1 485 . 14 1 1 A 46 46 LYS C C 46 179.139 178.523 0.616 1
1 486 . 14 1 1 A 47 47 LYS N N 47 119.317 119.002 0.315 1
1 487 . 14 1 1 A 47 47 LYS H H 47 8.154 8.018 0.136 1
1 488 . 14 1 1 A 47 47 LYS CA C 47 59.331 59.340 -0.009 1
1 489 . 14 1 1 A 47 47 LYS HA H 47 3.939 4.105 -0.166 1
1 490 . 14 1 1 A 47 47 LYS CB C 47 33.065 32.360 0.705 1
1 502 . 14 1 1 A 47 47 LYS C C 47 178.108 178.895 -0.787 1
1 503 . 14 1 1 A 48 48 LYS N N 48 116.005 118.958 -2.953 1
1 504 . 14 1 1 A 48 48 LYS H H 48 7.976 7.726 0.250 1
1 505 . 14 1 1 A 48 48 LYS CA C 48 58.650 58.275 0.375 1
1 506 . 14 1 1 A 48 48 LYS HA H 48 3.684 3.878 -0.194 1
1 507 . 14 1 1 A 48 48 LYS CB C 48 32.372 32.489 -0.117 1
1 519 . 14 1 1 A 48 48 LYS C C 48 178.213 177.757 0.456 1
1 520 . 14 1 1 A 49 49 PHE N N 49 112.629 114.322 -1.693 1
1 521 . 14 1 1 A 49 49 PHE H H 49 7.658 7.959 -0.301 1
1 522 . 14 1 1 A 49 49 PHE CA C 49 56.958 60.346 -3.388 1
1 523 . 14 1 1 A 49 49 PHE HA H 49 5.028 4.518 0.510 1
1 524 . 14 1 1 A 49 49 PHE CB C 49 40.496 40.118 0.378 1
1 537 . 14 1 1 A 49 49 PHE C C 49 176.188 176.369 -0.181 1
1 538 . 14 1 1 A 50 50 GLY N N 50 108.499 108.317 0.182 1
1 539 . 14 1 1 A 50 50 GLY H H 50 7.821 7.910 -0.089 1
1 540 . 14 1 1 A 50 50 GLY CA C 50 46.579 47.035 -0.456 1
1 541 . 14 1 1 A 50 50 GLY HA2 H 50 3.953 3.977 -0.024 1
1 542 . 14 1 1 A 50 50 GLY HA3 H 50 3.953 4.004 -0.051 1
1 543 . 14 1 1 A 50 50 GLY C C 50 174.288 175.817 -1.529 1
1 544 . 14 1 1 A 51 51 GLY N N 51 108.968 107.441 1.527 1
1 545 . 14 1 1 A 51 51 GLY H H 51 8.600 8.078 0.522 1
1 546 . 14 1 1 A 51 51 GLY CA C 51 46.597 45.233 1.364 1
1 547 . 14 1 1 A 51 51 GLY HA2 H 51 3.943 4.007 -0.064 1
1 548 . 14 1 1 A 51 51 GLY HA3 H 51 4.047 4.015 0.032 1
1 549 . 14 1 1 A 51 51 GLY C C 51 174.522 175.627 -1.105 1
1 550 . 14 1 1 A 52 52 VAL N N 52 118.929 118.996 -0.067 1
1 551 . 14 1 1 A 52 52 VAL H H 52 7.980 7.857 0.123 1
1 552 . 14 1 1 A 52 52 VAL CA C 52 68.080 65.705 2.375 1
1 553 . 14 1 1 A 52 52 VAL HA H 52 3.334 3.671 -0.337 1
1 554 . 14 1 1 A 52 52 VAL CB C 52 31.150 31.613 -0.463 1
1 564 . 14 1 1 A 52 52 VAL C C 52 177.566 177.405 0.161 1
1 565 . 14 1 1 A 53 53 GLN N N 53 116.880 121.531 -4.651 1
1 566 . 14 1 1 A 53 53 GLN H H 53 8.513 7.971 0.542 1
1 567 . 14 1 1 A 53 53 GLN CA C 53 58.730 59.209 -0.479 1
1 568 . 14 1 1 A 53 53 GLN HA H 53 3.946 3.941 0.005 1
1 569 . 14 1 1 A 53 53 GLN CB C 53 28.098 28.221 -0.123 1
1 578 . 14 1 1 A 53 53 GLN C C 53 177.916 178.311 -0.395 1
1 579 . 14 1 1 A 54 54 GLU N N 54 119.584 119.886 -0.302 1
1 580 . 14 1 1 A 54 54 GLU H H 54 7.525 8.075 -0.550 1
1 581 . 14 1 1 A 54 54 GLU CA C 54 59.754 58.782 0.972 1
1 582 . 14 1 1 A 54 54 GLU HA H 54 3.980 4.067 -0.087 1
1 583 . 14 1 1 A 54 54 GLU CB C 54 29.509 29.897 -0.388 1
1 589 . 14 1 1 A 54 54 GLU C C 54 180.168 179.540 0.628 1
1 590 . 14 1 1 A 55 55 LEU N N 55 121.130 120.881 0.249 1
1 591 . 14 1 1 A 55 55 LEU H H 55 8.437 8.460 -0.023 1
1 592 . 14 1 1 A 55 55 LEU CA C 55 58.005 57.812 0.193 1
1 593 . 14 1 1 A 55 55 LEU HA H 55 3.870 3.915 -0.045 1
1 594 . 14 1 1 A 55 55 LEU CB C 55 42.588 41.464 1.124 1
1 607 . 14 1 1 A 55 55 LEU C C 55 180.835 179.379 1.456 1
1 608 . 14 1 1 A 56 56 LEU N N 56 123.508 118.515 4.993 1
1 609 . 14 1 1 A 56 56 LEU H H 56 8.664 8.506 0.158 1
1 610 . 14 1 1 A 56 56 LEU CA C 56 58.397 57.685 0.712 1
1 611 . 14 1 1 A 56 56 LEU HA H 56 3.972 3.922 0.050 1
1 612 . 14 1 1 A 56 56 LEU CB C 56 42.087 41.337 0.750 1
1 625 . 14 1 1 A 56 56 LEU C C 56 181.257 179.338 1.919 1
1 626 . 14 1 1 A 57 57 ASN N N 57 116.946 118.555 -1.609 1
1 627 . 14 1 1 A 57 57 ASN H H 57 8.334 8.096 0.238 1
1 628 . 14 1 1 A 57 57 ASN CA C 57 54.627 56.681 -2.054 1
1 629 . 14 1 1 A 57 57 ASN HA H 57 4.566 4.426 0.140 1
1 630 . 14 1 1 A 57 57 ASN CB C 57 38.170 37.889 0.281 1
1 636 . 14 1 1 A 57 57 ASN C C 57 176.756 178.480 -1.724 1
1 637 . 14 1 1 A 58 58 GLN N N 58 118.214 116.728 1.486 1
1 638 . 14 1 1 A 58 58 GLN H H 58 7.670 7.859 -0.189 1
1 639 . 14 1 1 A 58 58 GLN CA C 58 58.022 56.599 1.423 1
1 640 . 14 1 1 A 58 58 GLN HA H 58 4.184 4.222 -0.038 1
1 641 . 14 1 1 A 58 58 GLN CB C 58 28.460 28.919 -0.459 1
1 650 . 14 1 1 A 58 58 GLN C C 58 175.792 175.574 0.218 1
1 651 . 14 1 1 A 59 59 GLN N N 59 114.113 116.079 -1.966 1
1 652 . 14 1 1 A 59 59 GLN H H 59 7.825 7.933 -0.108 1
1 653 . 14 1 1 A 59 59 GLN CA C 59 56.584 56.983 -0.399 1
1 654 . 14 1 1 A 59 59 GLN HA H 59 4.015 3.799 0.216 1
1 655 . 14 1 1 A 59 59 GLN CB C 59 26.829 26.290 0.539 1
1 664 . 14 1 1 A 59 59 GLN C C 59 175.049 175.065 -0.016 1
1 665 . 14 1 1 A 60 60 LYS N N 60 118.472 118.864 -0.392 1
1 666 . 14 1 1 A 60 60 LYS H H 60 9.134 8.140 0.994 1
1 667 . 14 1 1 A 60 60 LYS CA C 60 54.005 56.598 -2.593 1
1 668 . 14 1 1 A 60 60 LYS HA H 60 4.458 4.317 0.141 1
1 669 . 14 1 1 A 60 60 LYS CB C 60 32.573 34.055 -1.482 1
1 681 . 14 1 1 A 60 60 LYS C C 60 176.936 175.310 1.626 1
1 682 . 14 1 1 A 61 61 LYS N N 61 121.877 119.861 2.016 1
1 683 . 14 1 1 A 61 61 LYS H H 61 9.069 8.746 0.323 1
1 684 . 14 1 1 A 61 61 LYS CA C 61 53.421 54.251 -0.830 1
1 685 . 14 1 1 A 61 61 LYS HA H 61 4.517 5.220 -0.703 1
1 686 . 14 1 1 A 61 61 LYS CB C 61 35.816 36.511 -0.695 1
1 698 . 14 1 1 A 61 61 LYS C C 61 175.049 176.244 -1.195 1
1 699 . 14 1 1 A 62 62 SER N N 62 114.153 118.298 -4.145 1
1 700 . 14 1 1 A 62 62 SER H H 62 8.524 8.492 0.032 1
1 701 . 14 1 1 A 62 62 SER CA C 62 60.959 60.500 0.459 1
1 702 . 14 1 1 A 62 62 SER HA H 62 3.954 4.279 -0.325 1
1 703 . 14 1 1 A 62 62 SER CB C 62 64.374 62.867 1.507 1
1 706 . 14 1 1 A 62 62 SER C C 62 175.660 175.520 0.140 1
1 707 . 14 1 1 A 63 63 GLY N N 63 111.615 113.004 -1.389 1
1 708 . 14 1 1 A 63 63 GLY H H 63 9.308 8.964 0.344 1
1 709 . 14 1 1 A 63 63 GLY CA C 63 44.971 45.276 -0.305 1
1 710 . 14 1 1 A 63 63 GLY HA2 H 63 4.188 3.987 0.201 1
1 711 . 14 1 1 A 63 63 GLY HA3 H 63 4.188 3.992 0.196 1
1 712 . 14 1 1 A 63 63 GLY C C 63 172.420 173.391 -0.971 1
1 713 . 14 1 1 A 64 64 GLU N N 64 117.287 121.379 -4.092 1
1 714 . 14 1 1 A 64 64 GLU H H 64 7.909 8.193 -0.284 1
1 715 . 14 1 1 A 64 64 GLU CA C 64 53.972 55.161 -1.189 1
1 716 . 14 1 1 A 64 64 GLU HA H 64 4.549 4.716 -0.167 1
1 717 . 14 1 1 A 64 64 GLU CB C 64 32.449 32.036 0.413 1
1 723 . 14 1 1 A 64 64 GLU C C 64 174.611 174.807 -0.196 1
1 724 . 14 1 1 A 65 65 VAL N N 65 118.093 122.838 -4.745 1
1 725 . 14 1 1 A 65 65 VAL H H 65 8.337 8.785 -0.448 1
1 726 . 14 1 1 A 65 65 VAL CA C 65 59.380 59.542 -0.162 1
1 727 . 14 1 1 A 65 65 VAL HA H 65 5.149 4.997 0.152 1
1 728 . 14 1 1 A 65 65 VAL CB C 65 35.892 34.535 1.357 1
1 738 . 14 1 1 A 65 65 VAL C C 65 172.013 173.425 -1.412 1
1 739 . 14 1 1 A 66 66 ALA N N 66 130.790 129.556 1.234 1
1 740 . 14 1 1 A 66 66 ALA H H 66 8.876 8.629 0.247 1
1 741 . 14 1 1 A 66 66 ALA CA C 66 50.170 50.243 -0.073 1
1 742 . 14 1 1 A 66 66 ALA HA H 66 4.879 5.313 -0.434 1
1 743 . 14 1 1 A 66 66 ALA CB C 66 21.291 20.686 0.605 1
1 747 . 14 1 1 A 66 66 ALA C C 66 175.997 175.977 0.020 1
1 748 . 14 1 1 A 67 67 VAL N N 67 119.453 123.107 -3.654 1
1 749 . 14 1 1 A 67 67 VAL H H 67 8.615 8.422 0.193 1
1 750 . 14 1 1 A 67 67 VAL CA C 67 61.078 61.134 -0.056 1
1 751 . 14 1 1 A 67 67 VAL HA H 67 5.255 4.934 0.321 1
1 752 . 14 1 1 A 67 67 VAL CB C 67 36.283 33.653 2.630 1
1 762 . 14 1 1 A 67 67 VAL C C 67 176.213 174.922 1.291 1
1 763 . 14 1 1 A 68 68 LEU N N 68 126.404 127.444 -1.040 1
1 764 . 14 1 1 A 68 68 LEU H H 68 9.013 8.411 0.602 1
1 765 . 14 1 1 A 68 68 LEU CA C 68 53.424 54.166 -0.742 1
1 766 . 14 1 1 A 68 68 LEU HA H 68 4.809 4.913 -0.104 1
1 767 . 14 1 1 A 68 68 LEU CB C 68 46.473 46.037 0.436 1
1 780 . 14 1 1 A 68 68 LEU C C 68 174.704 174.101 0.603 1
1 781 . 14 1 1 A 69 69 LYS N N 69 123.462 127.684 -4.222 1
1 782 . 14 1 1 A 69 69 LYS H H 69 8.756 8.976 -0.220 1
1 783 . 14 1 1 A 69 69 LYS CA C 69 55.228 55.373 -0.145 1
1 784 . 14 1 1 A 69 69 LYS HA H 69 4.791 4.952 -0.161 1
1 785 . 14 1 1 A 69 69 LYS CB C 69 33.820 33.626 0.194 1
1 797 . 14 1 1 A 69 69 LYS C C 69 177.387 175.820 1.567 1
1 798 . 14 1 1 A 70 70 ARG N N 70 127.852 128.817 -0.965 1
1 799 . 14 1 1 A 70 70 ARG H H 70 8.688 8.437 0.251 1
1 800 . 14 1 1 A 70 70 ARG CA C 70 52.929 57.300 -4.371 1
1 801 . 14 1 1 A 70 70 ARG CB C 70 34.028 32.707 1.321 1
1 809 . 14 1 1 A 70 70 ARG C C 70 175.460 175.601 -0.141 1
1 810 . 14 1 1 A 71 71 ASP CA C 71 55.193 52.983 2.210 1
1 811 . 14 1 1 A 71 71 ASP HA H 71 4.268 4.892 -0.624 1
1 812 . 14 1 1 A 71 71 ASP CB C 71 40.326 39.680 0.646 1
1 815 . 14 1 1 A 71 71 ASP C C 71 175.970 176.365 -0.395 1
1 816 . 14 1 1 A 72 72 GLY N N 72 104.319 111.231 -6.912 1
1 817 . 14 1 1 A 72 72 GLY H H 72 8.642 8.330 0.312 1
1 818 . 14 1 1 A 72 72 GLY CA C 72 45.692 46.897 -1.205 1
1 819 . 14 1 1 A 72 72 GLY HA2 H 72 4.062 3.822 0.240 1
1 820 . 14 1 1 A 72 72 GLY HA3 H 72 3.516 3.851 -0.335 1
1 821 . 14 1 1 A 72 72 GLY C C 72 172.604 173.316 -0.712 1
1 822 . 14 1 1 A 73 73 ARG N N 73 118.257 115.375 2.882 1
1 823 . 14 1 1 A 73 73 ARG H H 73 7.794 7.364 0.430 1
1 824 . 14 1 1 A 73 73 ARG CA C 73 52.893 54.013 -1.120 1
1 825 . 14 1 1 A 73 73 ARG HA H 73 4.560 4.512 0.048 1
1 826 . 14 1 1 A 73 73 ARG CB C 73 31.831 32.906 -1.075 1
1 837 . 14 1 1 A 73 73 ARG C C 73 173.057 173.809 -0.752 1
1 838 . 14 1 1 A 74 74 TYR N N 74 117.830 120.697 -2.867 1
1 839 . 14 1 1 A 74 74 TYR H H 74 8.366 8.780 -0.414 1
1 840 . 14 1 1 A 74 74 TYR CA C 74 57.987 57.079 0.908 1
1 841 . 14 1 1 A 74 74 TYR HA H 74 5.005 5.103 -0.098 1
1 842 . 14 1 1 A 74 74 TYR CB C 74 40.473 39.552 0.921 1
1 853 . 14 1 1 A 74 74 TYR C C 74 173.530 174.646 -1.116 1
1 854 . 14 1 1 A 75 75 ILE N N 75 120.880 124.818 -3.938 1
1 855 . 14 1 1 A 75 75 ILE H H 75 8.923 8.974 -0.051 1
1 856 . 14 1 1 A 75 75 ILE CA C 75 59.632 60.427 -0.795 1
1 857 . 14 1 1 A 75 75 ILE HA H 75 4.398 4.682 -0.284 1
1 858 . 14 1 1 A 75 75 ILE CB C 75 37.608 38.407 -0.799 1
1 871 . 14 1 1 A 75 75 ILE C C 75 174.203 174.796 -0.593 1
1 872 . 14 1 1 A 76 76 TYR N N 76 125.586 127.897 -2.311 1
1 873 . 14 1 1 A 76 76 TYR H H 76 9.540 9.021 0.519 1
1 874 . 14 1 1 A 76 76 TYR CA C 76 59.137 56.745 2.392 1
1 875 . 14 1 1 A 76 76 TYR HA H 76 4.630 5.506 -0.876 1
1 876 . 14 1 1 A 76 76 TYR CB C 76 39.909 41.114 -1.205 1
1 887 . 14 1 1 A 76 76 TYR C C 76 174.280 174.867 -0.587 1
1 888 . 14 1 1 A 77 77 TYR N N 77 123.524 121.512 2.012 1
1 889 . 14 1 1 A 77 77 TYR H H 77 9.221 9.017 0.204 1
1 890 . 14 1 1 A 77 77 TYR CA C 77 55.476 56.020 -0.544 1
1 891 . 14 1 1 A 77 77 TYR HA H 77 4.155 5.369 -1.214 1
1 892 . 14 1 1 A 77 77 TYR CB C 77 35.926 38.943 -3.017 1
1 903 . 14 1 1 A 77 77 TYR C C 77 174.236 174.966 -0.730 1
1 904 . 14 1 1 A 78 78 LEU N N 78 123.875 125.407 -1.532 1
1 905 . 14 1 1 A 78 78 LEU H H 78 8.948 8.597 0.351 1
1 906 . 14 1 1 A 78 78 LEU CA C 78 55.635 55.922 -0.287 1
1 907 . 14 1 1 A 78 78 LEU HA H 78 4.134 4.340 -0.206 1
1 908 . 14 1 1 A 78 78 LEU CB C 78 40.856 42.058 -1.202 1
1 921 . 14 1 1 A 78 78 LEU C C 78 175.294 176.337 -1.043 1
1 922 . 14 1 1 A 79 79 ILE N N 79 127.986 124.175 3.811 1
1 923 . 14 1 1 A 79 79 ILE H H 79 8.322 8.443 -0.121 1
1 924 . 14 1 1 A 79 79 ILE CA C 79 59.349 60.448 -1.099 1
1 925 . 14 1 1 A 79 79 ILE HA H 79 4.372 4.683 -0.311 1
1 926 . 14 1 1 A 79 79 ILE CB C 79 34.277 38.919 -4.642 1
1 939 . 14 1 1 A 79 79 ILE C C 79 176.505 176.140 0.365 1
1 940 . 14 1 1 A 80 80 THR N N 80 113.978 118.432 -4.454 1
1 941 . 14 1 1 A 80 80 THR H H 80 8.276 8.776 -0.500 1
1 942 . 14 1 1 A 80 80 THR CA C 80 61.646 62.232 -0.586 1
1 943 . 14 1 1 A 80 80 THR HA H 80 4.334 4.577 -0.243 1
1 944 . 14 1 1 A 80 80 THR CB C 80 69.165 69.969 -0.804 1
1 950 . 14 1 1 A 80 80 THR C C 80 172.999 174.577 -1.578 1
1 951 . 14 1 1 A 81 81 LYS N N 81 114.856 119.884 -5.028 1
1 952 . 14 1 1 A 81 81 LYS H H 81 7.512 7.677 -0.165 1
1 953 . 14 1 1 A 81 81 LYS CA C 81 54.894 55.090 -0.196 1
1 954 . 14 1 1 A 81 81 LYS HA H 81 4.649 4.698 -0.049 1
1 955 . 14 1 1 A 81 81 LYS CB C 81 34.139 34.444 -0.305 1
1 964 . 14 1 1 A 81 81 LYS C C 81 175.344 176.994 -1.650 1
1 965 . 14 1 1 A 82 82 LYS N N 82 121.209 122.329 -1.120 1
1 966 . 14 1 1 A 82 82 LYS H H 82 9.577 8.681 0.896 1
1 967 . 14 1 1 A 82 82 LYS CA C 82 60.198 58.409 1.789 1
1 968 . 14 1 1 A 82 82 LYS HA H 82 3.884 4.209 -0.325 1
1 969 . 14 1 1 A 82 82 LYS CB C 82 33.603 33.185 0.418 1
1 981 . 14 1 1 A 82 82 LYS C C 82 176.049 177.261 -1.212 1
1 982 . 14 1 1 A 83 83 ARG N N 83 112.456 117.870 -5.414 1
1 983 . 14 1 1 A 83 83 ARG H H 83 6.717 8.019 -1.302 1
1 984 . 14 1 1 A 83 83 ARG CA C 83 52.451 54.184 -1.733 1
1 985 . 14 1 1 A 83 83 ARG HA H 83 4.691 4.784 -0.093 1
1 986 . 14 1 1 A 83 83 ARG CB C 83 32.857 33.734 -0.877 1
1 995 . 14 1 1 A 83 83 ARG C C 83 177.299 176.568 0.731 1
1 996 . 14 1 1 A 84 84 ALA N N 84 124.857 124.704 0.153 1
1 997 . 14 1 1 A 84 84 ALA H H 84 9.290 8.956 0.334 1
1 998 . 14 1 1 A 84 84 ALA CA C 84 56.005 55.505 0.500 1
1 999 . 14 1 1 A 84 84 ALA HA H 84 3.895 3.987 -0.092 1
1 1000 . 14 1 1 A 84 84 ALA CB C 84 19.175 18.175 1.000 1
1 1004 . 14 1 1 A 84 84 ALA C C 84 178.350 179.355 -1.005 1
1 1005 . 14 1 1 A 85 85 SER CA C 85 58.631 60.847 -2.216 1
1 1006 . 14 1 1 A 85 85 SER HA H 85 4.338 4.097 0.241 1
1 1007 . 14 1 1 A 85 85 SER CB C 85 63.277 62.900 0.377 1
1 1010 . 14 1 1 A 85 85 SER C C 85 175.469 174.486 0.983 1
1 1011 . 14 1 1 A 86 86 HIS N N 86 121.978 117.236 4.742 1
1 1012 . 14 1 1 A 86 86 HIS H H 86 7.560 7.915 -0.355 1
1 1013 . 14 1 1 A 86 86 HIS CA C 86 54.468 55.773 -1.305 1
1 1014 . 14 1 1 A 86 86 HIS HA H 86 4.766 4.759 0.007 1
1 1015 . 14 1 1 A 86 86 HIS CB C 86 33.069 31.096 1.973 1
1 1022 . 14 1 1 A 86 86 HIS C C 86 174.466 175.431 -0.965 1
1 1023 . 14 1 1 A 87 87 LYS N N 87 122.014 122.648 -0.634 1
1 1024 . 14 1 1 A 87 87 LYS H H 87 8.693 8.523 0.170 1
1 1025 . 14 1 1 A 87 87 LYS CA C 87 53.283 53.486 -0.203 1
1 1026 . 14 1 1 A 87 87 LYS HA H 87 4.792 4.645 0.147 1
1 1027 . 14 1 1 A 87 87 LYS CB C 87 32.803 32.062 0.741 1
1 1037 . 14 1 1 A 87 87 LYS C C 87 175.072 174.344 0.728 1
1 1038 . 14 1 1 A 88 88 PRO CA C 88 62.515 62.516 -0.001 1
1 1039 . 14 1 1 A 88 88 PRO HA H 88 4.796 4.760 0.036 1
1 1040 . 14 1 1 A 88 88 PRO CB C 88 32.687 32.839 -0.152 1
1 1049 . 14 1 1 A 88 88 PRO C C 88 175.319 176.252 -0.933 1
1 1050 . 14 1 1 A 89 89 THR N N 89 107.501 111.919 -4.418 1
1 1051 . 14 1 1 A 89 89 THR H H 89 7.933 8.283 -0.350 1
1 1052 . 14 1 1 A 89 89 THR CA C 89 58.518 59.564 -1.046 1
1 1053 . 14 1 1 A 89 89 THR HA H 89 4.758 4.793 -0.035 1
1 1054 . 14 1 1 A 89 89 THR CB C 89 70.861 71.814 -0.953 1
1 1060 . 14 1 1 A 89 89 THR C C 89 175.662 174.638 1.024 1
1 1061 . 14 1 1 A 90 90 TYR N N 90 120.845 124.234 -3.389 1
1 1062 . 14 1 1 A 90 90 TYR H H 90 8.751 9.199 -0.448 1
1 1063 . 14 1 1 A 90 90 TYR CA C 90 63.195 61.183 2.012 1
1 1064 . 14 1 1 A 90 90 TYR HA H 90 4.064 4.162 -0.098 1
1 1065 . 14 1 1 A 90 90 TYR CB C 90 37.372 37.908 -0.536 1
1 1076 . 14 1 1 A 90 90 TYR C C 90 178.063 178.060 0.003 1
1 1077 . 14 1 1 A 91 91 GLU N N 91 118.210 120.081 -1.871 1
1 1078 . 14 1 1 A 91 91 GLU H H 91 8.857 8.302 0.555 1
1 1079 . 14 1 1 A 91 91 GLU CA C 91 60.312 59.734 0.578 1
1 1080 . 14 1 1 A 91 91 GLU HA H 91 4.114 4.011 0.103 1
1 1081 . 14 1 1 A 91 91 GLU CB C 91 29.276 29.153 0.123 1
1 1087 . 14 1 1 A 91 91 GLU C C 91 178.970 179.063 -0.093 1
1 1088 . 14 1 1 A 92 92 ASN N N 92 117.220 118.192 -0.972 1
1 1089 . 14 1 1 A 92 92 ASN H H 92 7.894 8.012 -0.118 1
1 1090 . 14 1 1 A 92 92 ASN CA C 92 55.334 56.372 -1.038 1
1 1091 . 14 1 1 A 92 92 ASN HA H 92 4.696 4.441 0.255 1
1 1092 . 14 1 1 A 92 92 ASN CB C 92 37.704 38.304 -0.600 1
1 1098 . 14 1 1 A 92 92 ASN C C 92 178.155 177.840 0.315 1
1 1099 . 14 1 1 A 93 93 LEU N N 93 121.622 121.298 0.324 1
1 1100 . 14 1 1 A 93 93 LEU H H 93 8.038 8.188 -0.150 1
1 1101 . 14 1 1 A 93 93 LEU CA C 93 58.495 59.080 -0.585 1
1 1102 . 14 1 1 A 93 93 LEU HA H 93 4.092 4.005 0.087 1
1 1103 . 14 1 1 A 93 93 LEU CB C 93 41.383 41.874 -0.491 1
1 1116 . 14 1 1 A 93 93 LEU C C 93 177.808 178.607 -0.799 1
1 1117 . 14 1 1 A 94 94 GLN N N 94 120.352 118.530 1.822 1
1 1118 . 14 1 1 A 94 94 GLN H H 94 8.792 8.164 0.628 1
1 1119 . 14 1 1 A 94 94 GLN CA C 94 61.099 59.290 1.809 1
1 1120 . 14 1 1 A 94 94 GLN HA H 94 3.721 3.988 -0.267 1
1 1121 . 14 1 1 A 94 94 GLN CB C 94 27.560 28.968 -1.408 1
1 1130 . 14 1 1 A 94 94 GLN C C 94 178.042 178.271 -0.229 1
1 1131 . 14 1 1 A 95 95 LYS N N 95 117.824 118.634 -0.810 1
1 1132 . 14 1 1 A 95 95 LYS H H 95 7.803 7.686 0.117 1
1 1133 . 14 1 1 A 95 95 LYS CA C 95 60.222 59.367 0.855 1
1 1134 . 14 1 1 A 95 95 LYS HA H 95 4.012 3.962 0.050 1
1 1135 . 14 1 1 A 95 95 LYS CB C 95 33.168 32.336 0.832 1
1 1147 . 14 1 1 A 95 95 LYS C C 95 179.868 179.058 0.810 1
1 1148 . 14 1 1 A 96 96 SER N N 96 118.301 116.070 2.231 1
1 1149 . 14 1 1 A 96 96 SER H H 96 8.251 8.112 0.139 1
1 1150 . 14 1 1 A 96 96 SER CA C 96 63.668 62.542 1.126 1
1 1151 . 14 1 1 A 96 96 SER HA H 96 3.710 4.288 -0.578 1
1 1152 . 14 1 1 A 96 96 SER CB C 96 62.882 62.783 0.099 1
1 1155 . 14 1 1 A 96 96 SER C C 96 176.400 176.363 0.037 1
1 1156 . 14 1 1 A 97 97 LEU N N 97 122.701 120.864 1.837 1
1 1157 . 14 1 1 A 97 97 LEU H H 97 8.467 8.232 0.235 1
1 1158 . 14 1 1 A 97 97 LEU CA C 97 58.323 58.011 0.312 1
1 1159 . 14 1 1 A 97 97 LEU HA H 97 3.861 4.059 -0.198 1
1 1160 . 14 1 1 A 97 97 LEU CB C 97 42.995 41.253 1.742 1
1 1173 . 14 1 1 A 97 97 LEU C C 97 178.941 179.585 -0.644 1
1 1174 . 14 1 1 A 98 98 GLU N N 98 119.918 119.371 0.547 1
1 1175 . 14 1 1 A 98 98 GLU H H 98 8.410 8.561 -0.151 1
1 1176 . 14 1 1 A 98 98 GLU CA C 98 59.561 59.290 0.271 1
1 1177 . 14 1 1 A 98 98 GLU HA H 98 3.622 3.946 -0.324 1
1 1178 . 14 1 1 A 98 98 GLU CB C 98 29.142 29.280 -0.138 1
1 1184 . 14 1 1 A 98 98 GLU C C 98 179.137 179.036 0.101 1
1 1185 . 14 1 1 A 99 99 ALA N N 99 124.193 122.711 1.482 1
1 1186 . 14 1 1 A 99 99 ALA H H 99 8.197 8.073 0.124 1
1 1187 . 14 1 1 A 99 99 ALA CA C 99 55.016 55.125 -0.109 1
1 1188 . 14 1 1 A 99 99 ALA HA H 99 4.247 4.108 0.139 1
1 1189 . 14 1 1 A 99 99 ALA CB C 99 17.815 18.039 -0.224 1
1 1193 . 14 1 1 A 99 99 ALA C C 99 181.133 179.665 1.468 1
1 1194 . 14 1 1 A 100 100 MET N N 100 122.009 118.497 3.512 1
1 1195 . 14 1 1 A 100 100 MET H H 100 8.482 8.072 0.410 1
1 1196 . 14 1 1 A 100 100 MET CA C 100 59.826 58.267 1.559 1
1 1197 . 14 1 1 A 100 100 MET HA H 100 3.714 4.017 -0.303 1
1 1198 . 14 1 1 A 100 100 MET CB C 100 32.944 32.044 0.900 1
1 1208 . 14 1 1 A 100 100 MET C C 100 176.658 177.937 -1.279 1
1 1209 . 14 1 1 A 101 101 LYS N N 101 120.991 118.560 2.431 1
1 1210 . 14 1 1 A 101 101 LYS H H 101 8.721 7.806 0.915 1
1 1211 . 14 1 1 A 101 101 LYS CA C 101 60.563 58.620 1.943 1
1 1212 . 14 1 1 A 101 101 LYS HA H 101 3.614 3.979 -0.365 1
1 1213 . 14 1 1 A 101 101 LYS CB C 101 30.759 31.925 -1.166 1
1 1225 . 14 1 1 A 101 101 LYS C C 101 177.419 178.333 -0.914 1
1 1226 . 14 1 1 A 102 102 SER N N 102 111.833 114.709 -2.876 1
1 1227 . 14 1 1 A 102 102 SER H H 102 8.005 7.849 0.156 1
1 1228 . 14 1 1 A 102 102 SER CA C 102 61.993 61.738 0.255 1
1 1229 . 14 1 1 A 102 102 SER HA H 102 4.082 4.099 -0.017 1
1 1230 . 14 1 1 A 102 102 SER CB C 102 62.863 63.095 -0.232 1
1 1233 . 14 1 1 A 102 102 SER C C 102 176.601 176.793 -0.192 1
1 1234 . 14 1 1 A 103 103 HIS N N 103 121.793 120.827 0.966 1
1 1235 . 14 1 1 A 103 103 HIS H H 103 7.605 7.814 -0.209 1
1 1236 . 14 1 1 A 103 103 HIS CA C 103 62.090 59.963 2.127 1
1 1237 . 14 1 1 A 103 103 HIS HA H 103 4.000 4.282 -0.282 1
1 1238 . 14 1 1 A 103 103 HIS CB C 103 30.652 29.994 0.658 1
1 1245 . 14 1 1 A 103 103 HIS C C 103 179.129 176.393 2.736 1
1 1246 . 14 1 1 A 104 104 CYS N N 104 119.421 116.545 2.876 1
1 1247 . 14 1 1 A 104 104 CYS H H 104 9.261 7.682 1.579 1
1 1248 . 14 1 1 A 104 104 CYS CA C 104 63.841 63.474 0.367 1
1 1249 . 14 1 1 A 104 104 CYS HA H 104 4.105 4.318 -0.213 1
1 1250 . 14 1 1 A 104 104 CYS CB C 104 27.916 27.212 0.704 1
1 1253 . 14 1 1 A 104 104 CYS C C 104 178.176 177.484 0.692 1
1 1254 . 14 1 1 A 105 105 LEU N N 105 117.129 120.516 -3.387 1
1 1255 . 14 1 1 A 105 105 LEU H H 105 8.331 7.865 0.466 1
1 1256 . 14 1 1 A 105 105 LEU CA C 105 57.262 58.178 -0.916 1
1 1257 . 14 1 1 A 105 105 LEU HA H 105 4.245 3.964 0.281 1
1 1258 . 14 1 1 A 105 105 LEU CB C 105 42.030 41.508 0.522 1
1 1271 . 14 1 1 A 105 105 LEU C C 105 180.635 179.049 1.586 1
1 1272 . 14 1 1 A 106 106 LYS N N 106 118.583 116.665 1.918 1
1 1273 . 14 1 1 A 106 106 LYS H H 106 7.638 8.113 -0.475 1
1 1274 . 14 1 1 A 106 106 LYS CA C 106 58.075 60.157 -2.082 1
1 1275 . 14 1 1 A 106 106 LYS HA H 106 4.140 3.930 0.210 1
1 1276 . 14 1 1 A 106 106 LYS CB C 106 33.191 32.295 0.896 1
1 1288 . 14 1 1 A 106 106 LYS C C 106 177.466 178.827 -1.361 1
1 1289 . 14 1 1 A 107 107 ASN N N 107 113.320 114.946 -1.626 1
1 1290 . 14 1 1 A 107 107 ASN H H 107 7.606 8.069 -0.463 1
1 1291 . 14 1 1 A 107 107 ASN CA C 107 53.813 54.825 -1.012 1
1 1292 . 14 1 1 A 107 107 ASN HA H 107 4.841 4.649 0.192 1
1 1293 . 14 1 1 A 107 107 ASN CB C 107 39.785 38.289 1.496 1
1 1299 . 14 1 1 A 107 107 ASN C C 107 174.443 175.588 -1.145 1
1 1300 . 14 1 1 A 108 108 GLY N N 108 109.386 107.344 2.042 1
1 1301 . 14 1 1 A 108 108 GLY H H 108 7.667 7.859 -0.192 1
1 1302 . 14 1 1 A 108 108 GLY CA C 108 47.252 45.316 1.936 1
1 1303 . 14 1 1 A 108 108 GLY HA2 H 108 4.023 4.125 -0.102 1
1 1304 . 14 1 1 A 108 108 GLY HA3 H 108 4.023 4.135 -0.112 1
1 1305 . 14 1 1 A 108 108 GLY C C 108 174.436 174.291 0.145 1
1 1306 . 14 1 1 A 109 109 VAL N N 109 122.758 120.401 2.357 1
1 1307 . 14 1 1 A 109 109 VAL H H 109 8.480 8.216 0.264 1
1 1308 . 14 1 1 A 109 109 VAL CA C 109 63.788 61.504 2.284 1
1 1309 . 14 1 1 A 109 109 VAL HA H 109 4.094 4.519 -0.425 1
1 1310 . 14 1 1 A 109 109 VAL CB C 109 32.931 33.912 -0.981 1
1 1320 . 14 1 1 A 109 109 VAL C C 109 176.089 176.061 0.028 1
1 1321 . 14 1 1 A 110 110 THR N N 110 115.431 116.400 -0.969 1
1 1322 . 14 1 1 A 110 110 THR H H 110 8.995 8.850 0.145 1
1 1323 . 14 1 1 A 110 110 THR CA C 110 62.045 60.842 1.203 1
1 1324 . 14 1 1 A 110 110 THR HA H 110 4.515 4.784 -0.269 1
1 1325 . 14 1 1 A 110 110 THR CB C 110 70.758 70.416 0.342 1
1 1331 . 14 1 1 A 110 110 THR C C 110 173.700 173.697 0.003 1
1 1332 . 14 1 1 A 111 111 ASP N N 111 123.757 122.570 1.187 1
1 1333 . 14 1 1 A 111 111 ASP H H 111 8.123 7.811 0.312 1
1 1334 . 14 1 1 A 111 111 ASP CA C 111 54.747 53.082 1.665 1
1 1335 . 14 1 1 A 111 111 ASP HA H 111 5.527 5.429 0.098 1
1 1336 . 14 1 1 A 111 111 ASP CB C 111 43.928 44.983 -1.055 1
1 1339 . 14 1 1 A 111 111 ASP C C 111 172.807 173.866 -1.059 1
1 1340 . 14 1 1 A 112 112 LEU N N 112 123.145 124.687 -1.542 1
1 1341 . 14 1 1 A 112 112 LEU H H 112 8.671 8.578 0.093 1
1 1342 . 14 1 1 A 112 112 LEU CA C 112 52.953 54.452 -1.499 1
1 1343 . 14 1 1 A 112 112 LEU HA H 112 5.213 4.920 0.293 1
1 1344 . 14 1 1 A 112 112 LEU CB C 112 47.875 46.256 1.619 1
1 1357 . 14 1 1 A 112 112 LEU C C 112 176.803 174.029 2.774 1
1 1358 . 14 1 1 A 113 113 SER N N 113 122.973 121.368 1.605 1
1 1359 . 14 1 1 A 113 113 SER H H 113 9.473 9.381 0.092 1
1 1360 . 14 1 1 A 113 113 SER CA C 113 59.207 56.755 2.452 1
1 1361 . 14 1 1 A 113 113 SER HA H 113 6.070 5.656 0.414 1
1 1362 . 14 1 1 A 113 113 SER CB C 113 67.023 64.691 2.332 1
1 1365 . 14 1 1 A 113 113 SER C C 113 172.066 173.121 -1.055 1
1 1366 . 14 1 1 A 114 114 MET N N 114 118.476 124.270 -5.794 1
1 1367 . 14 1 1 A 114 114 MET H H 114 9.080 8.800 0.280 1
1 1368 . 14 1 1 A 114 114 MET CA C 114 54.007 52.436 1.571 1
1 1369 . 14 1 1 A 114 114 MET HA H 114 5.435 5.692 -0.257 1
1 1370 . 14 1 1 A 114 114 MET CB C 114 34.867 35.541 -0.674 1
1 1380 . 14 1 1 A 114 114 MET C C 114 172.934 174.929 -1.995 1
1 1381 . 14 1 1 A 115 115 PRO CA C 115 62.262 62.329 -0.067 1
1 1382 . 14 1 1 A 115 115 PRO HA H 115 5.593 4.691 0.902 1
1 1383 . 14 1 1 A 115 115 PRO CB C 115 32.748 33.202 -0.454 1
1 1392 . 14 1 1 A 115 115 PRO C C 115 175.547 176.207 -0.660 1
1 1393 . 14 1 1 A 116 116 ARG N N 116 116.821 120.768 -3.947 1
1 1394 . 14 1 1 A 116 116 ARG H H 116 8.348 8.517 -0.169 1
1 1395 . 14 1 1 A 116 116 ARG CA C 116 55.785 56.195 -0.410 1
1 1396 . 14 1 1 A 116 116 ARG HA H 116 3.896 4.326 -0.430 1
1 1397 . 14 1 1 A 116 116 ARG CB C 116 27.344 30.510 -3.166 1
1 1406 . 14 1 1 A 116 116 ARG C C 116 176.796 176.163 0.633 1
1 1407 . 14 1 1 A 117 117 ILE N N 117 122.887 121.273 1.614 1
1 1408 . 14 1 1 A 117 117 ILE H H 117 7.989 8.931 -0.942 1
1 1409 . 14 1 1 A 117 117 ILE CA C 117 63.148 59.873 3.275 1
1 1410 . 14 1 1 A 117 117 ILE HA H 117 4.028 5.149 -1.121 1
1 1411 . 14 1 1 A 117 117 ILE CB C 117 40.010 40.068 -0.058 1
1 1424 . 14 1 1 A 117 117 ILE C C 117 174.324 175.633 -1.309 1
1 1425 . 14 1 1 A 118 118 GLY N N 118 107.320 112.942 -5.622 1
1 1426 . 14 1 1 A 118 118 GLY H H 118 8.662 8.573 0.089 1
1 1427 . 14 1 1 A 118 118 GLY CA C 118 45.752 45.433 0.319 1
1 1428 . 14 1 1 A 118 118 GLY HA2 H 118 3.693 4.160 -0.467 1
1 1429 . 14 1 1 A 118 118 GLY HA3 H 118 4.226 4.222 0.004 1
1 1430 . 14 1 1 A 118 118 GLY C C 118 172.861 175.396 -2.535 1
1 1431 . 14 1 1 A 119 119 CYS N N 119 115.336 120.592 -5.256 1
1 1432 . 14 1 1 A 119 119 CYS H H 119 7.445 8.006 -0.561 1
1 1433 . 14 1 1 A 119 119 CYS CA C 119 58.753 62.576 -3.823 1
1 1434 . 14 1 1 A 119 119 CYS HA H 119 4.831 4.127 0.704 1
1 1435 . 14 1 1 A 119 119 CYS CB C 119 28.840 27.067 1.773 1
1 1438 . 14 1 1 A 121 121 LEU CA C 121 57.692 57.737 -0.045 1
1 1439 . 14 1 1 A 121 121 LEU HA H 121 4.152 3.920 0.232 1
1 1440 . 14 1 1 A 121 121 LEU CB C 121 41.644 41.824 -0.180 1
1 1453 . 14 1 1 A 123 123 ARG N N 123 107.909 118.853 -10.944 1
1 1454 . 14 1 1 A 123 123 ARG H H 123 7.536 7.888 -0.352 1
1 1455 . 14 1 1 A 123 123 ARG CA C 123 57.775 59.278 -1.503 1
1 1456 . 14 1 1 A 123 123 ARG HA H 123 3.989 3.940 0.049 1
1 1457 . 14 1 1 A 123 123 ARG CB C 123 28.219 30.013 -1.794 1
1 1466 . 14 1 1 A 123 123 ARG C C 123 176.088 176.363 -0.275 1
1 1467 . 14 1 1 A 124 124 LEU N N 124 118.876 118.148 0.728 1
1 1468 . 14 1 1 A 124 124 LEU H H 124 8.401 7.547 0.854 1
1 1469 . 14 1 1 A 124 124 LEU CA C 124 54.573 53.286 1.287 1
1 1470 . 14 1 1 A 124 124 LEU HA H 124 4.533 5.257 -0.724 1
1 1471 . 14 1 1 A 124 124 LEU CB C 124 39.785 46.352 -6.567 1
1 1484 . 14 1 1 A 124 124 LEU C C 124 175.551 175.659 -0.108 1
1 1485 . 14 1 1 A 125 125 GLN N N 125 116.713 119.377 -2.664 1
1 1486 . 14 1 1 A 125 125 GLN H H 125 7.779 8.465 -0.686 1
1 1487 . 14 1 1 A 125 125 GLN CA C 125 54.609 54.257 0.352 1
1 1488 . 14 1 1 A 125 125 GLN HA H 125 4.794 5.079 -0.285 1
1 1489 . 14 1 1 A 125 125 GLN CB C 125 30.327 32.196 -1.869 1
1 1498 . 14 1 1 A 125 125 GLN C C 125 177.722 176.055 1.667 1
1 1499 . 14 1 1 A 126 126 TRP N N 126 128.887 126.951 1.936 1
1 1500 . 14 1 1 A 126 126 TRP H H 126 9.755 9.169 0.586 1
1 1501 . 14 1 1 A 126 126 TRP CA C 126 59.962 61.176 -1.214 1
1 1502 . 14 1 1 A 126 126 TRP HA H 126 4.545 4.269 0.276 1
1 1503 . 14 1 1 A 126 126 TRP CB C 126 30.009 30.413 -0.404 1
1 1518 . 14 1 1 A 126 126 TRP C C 126 177.057 178.075 -1.018 1
1 1519 . 14 1 1 A 127 127 GLU N N 127 119.568 118.508 1.060 1
1 1520 . 14 1 1 A 127 127 GLU H H 127 9.946 8.480 1.466 1
1 1521 . 14 1 1 A 127 127 GLU CA C 127 60.623 59.726 0.897 1
1 1522 . 14 1 1 A 127 127 GLU HA H 127 3.780 3.965 -0.185 1
1 1523 . 14 1 1 A 127 127 GLU CB C 127 28.594 29.186 -0.592 1
1 1529 . 14 1 1 A 127 127 GLU C C 127 177.905 178.809 -0.904 1
1 1530 . 14 1 1 A 128 128 ASN N N 128 115.229 117.288 -2.059 1
1 1531 . 14 1 1 A 128 128 ASN H H 128 7.159 7.965 -0.806 1
1 1532 . 14 1 1 A 128 128 ASN CA C 128 55.370 55.493 -0.123 1
1 1533 . 14 1 1 A 128 128 ASN HA H 128 4.446 4.485 -0.039 1
1 1534 . 14 1 1 A 128 128 ASN CB C 128 38.522 38.375 0.147 1
1 1540 . 14 1 1 A 128 128 ASN C C 128 177.374 177.579 -0.205 1
1 1541 . 14 1 1 A 129 129 VAL N N 129 122.487 120.089 2.398 1
1 1542 . 14 1 1 A 129 129 VAL H H 129 8.033 7.768 0.265 1
1 1543 . 14 1 1 A 129 129 VAL CA C 129 67.289 66.764 0.525 1
1 1544 . 14 1 1 A 129 129 VAL HA H 129 3.489 3.512 -0.023 1
1 1545 . 14 1 1 A 129 129 VAL CB C 129 31.824 31.421 0.403 1
1 1555 . 14 1 1 A 129 129 VAL C C 129 177.209 177.516 -0.307 1
1 1556 . 14 1 1 A 130 130 SER N N 130 115.189 114.064 1.125 1
1 1557 . 14 1 1 A 130 130 SER H H 130 8.550 7.944 0.606 1
1 1558 . 14 1 1 A 130 130 SER CA C 130 61.477 60.821 0.656 1
1 1559 . 14 1 1 A 130 130 SER HA H 130 3.151 3.618 -0.467 1
1 1560 . 14 1 1 A 130 130 SER CB C 130 61.348 62.064 -0.716 1
1 1563 . 14 1 1 A 130 130 SER C C 130 175.971 176.613 -0.642 1
1 1564 . 14 1 1 A 131 131 ALA N N 131 123.596 123.895 -0.299 1
1 1565 . 14 1 1 A 131 131 ALA H H 131 6.551 7.931 -1.380 1
1 1566 . 14 1 1 A 131 131 ALA CA C 131 54.947 55.076 -0.129 1
1 1567 . 14 1 1 A 131 131 ALA HA H 131 4.079 3.902 0.177 1
1 1568 . 14 1 1 A 131 131 ALA CB C 131 18.023 18.275 -0.252 1
1 1572 . 14 1 1 A 131 131 ALA C C 131 179.947 179.818 0.129 1
1 1573 . 14 1 1 A 132 132 MET N N 132 119.410 116.398 3.012 1
1 1574 . 14 1 1 A 132 132 MET H H 132 7.442 8.140 -0.698 1
1 1575 . 14 1 1 A 132 132 MET CA C 132 58.917 58.434 0.483 1
1 1576 . 14 1 1 A 132 132 MET HA H 132 4.118 4.159 -0.041 1
1 1577 . 14 1 1 A 132 132 MET CB C 132 33.984 32.755 1.229 1
1 1587 . 14 1 1 A 132 132 MET C C 132 178.019 178.684 -0.665 1
1 1588 . 14 1 1 A 133 133 ILE N N 133 120.265 119.369 0.896 1
1 1589 . 14 1 1 A 133 133 ILE H H 133 8.554 7.802 0.752 1
1 1590 . 14 1 1 A 133 133 ILE CA C 133 66.859 65.291 1.568 1
1 1591 . 14 1 1 A 133 133 ILE HA H 133 3.470 3.728 -0.258 1
1 1592 . 14 1 1 A 133 133 ILE CB C 133 38.240 37.272 0.968 1
1 1605 . 14 1 1 A 133 133 ILE C C 133 177.949 178.697 -0.748 1
1 1606 . 14 1 1 A 134 134 GLU N N 134 117.011 121.467 -4.456 1
1 1607 . 14 1 1 A 134 134 GLU H H 134 8.106 8.137 -0.031 1
1 1608 . 14 1 1 A 134 134 GLU CA C 134 59.844 59.673 0.171 1
1 1609 . 14 1 1 A 134 134 GLU HA H 134 3.919 4.020 -0.101 1
1 1610 . 14 1 1 A 134 134 GLU CB C 134 29.024 29.238 -0.214 1
1 1616 . 14 1 1 A 134 134 GLU C C 134 178.982 179.092 -0.110 1
1 1617 . 14 1 1 A 135 135 GLU N N 135 118.619 118.577 0.042 1
1 1618 . 14 1 1 A 135 135 GLU H H 135 7.848 8.218 -0.370 1
1 1619 . 14 1 1 A 135 135 GLU CA C 135 59.438 59.304 0.134 1
1 1620 . 14 1 1 A 135 135 GLU HA H 135 4.090 4.093 -0.003 1
1 1621 . 14 1 1 A 135 135 GLU CB C 135 29.948 28.730 1.218 1
1 1627 . 14 1 1 A 135 135 GLU C C 135 179.547 178.882 0.665 1
1 1628 . 14 1 1 A 136 136 VAL N N 136 119.915 121.286 -1.371 1
1 1629 . 14 1 1 A 136 136 VAL H H 136 8.793 8.222 0.571 1
1 1630 . 14 1 1 A 136 136 VAL CA C 136 66.122 66.302 -0.180 1
1 1631 . 14 1 1 A 136 136 VAL HA H 136 3.578 3.615 -0.037 1
1 1632 . 14 1 1 A 136 136 VAL CB C 136 31.990 31.899 0.091 1
1 1642 . 14 1 1 A 136 136 VAL C C 136 177.646 177.339 0.307 1
1 1643 . 14 1 1 A 137 137 PHE N N 137 111.913 117.419 -5.506 1
1 1644 . 14 1 1 A 137 137 PHE H H 137 8.009 8.044 -0.035 1
1 1645 . 14 1 1 A 137 137 PHE CA C 137 59.545 59.395 0.150 1
1 1646 . 14 1 1 A 137 137 PHE HA H 137 4.197 4.465 -0.268 1
1 1647 . 14 1 1 A 137 137 PHE CB C 137 38.105 38.715 -0.610 1
1 1660 . 14 1 1 A 138 138 GLU N N 138 123.997 119.001 4.996 1
1 1661 . 14 1 1 A 138 138 GLU H H 138 7.268 8.485 -1.217 1
1 1662 . 14 1 1 A 138 138 GLU CA C 138 59.222 58.862 0.360 1
1 1663 . 14 1 1 A 138 138 GLU HA H 138 4.161 4.150 0.011 1
1 1664 . 14 1 1 A 138 138 GLU CB C 138 29.644 28.886 0.758 1
1 1670 . 14 1 1 A 139 139 ALA N N 139 121.713 120.729 0.984 1
1 1671 . 14 1 1 A 139 139 ALA H H 139 8.830 7.954 0.876 1
1 1672 . 14 1 1 A 139 139 ALA CA C 139 52.894 51.262 1.632 1
1 1673 . 14 1 1 A 139 139 ALA HA H 139 4.334 4.462 -0.128 1
1 1674 . 14 1 1 A 139 139 ALA CB C 139 17.362 19.108 -1.746 1
1 1678 . 14 1 1 A 139 139 ALA C C 139 176.943 176.529 0.414 1
1 1679 . 14 1 1 A 140 140 THR N N 140 107.901 108.249 -0.348 1
1 1680 . 14 1 1 A 140 140 THR H H 140 7.809 8.158 -0.349 1
1 1681 . 14 1 1 A 140 140 THR CA C 140 61.013 59.860 1.153 1
1 1682 . 14 1 1 A 140 140 THR HA H 140 4.164 4.864 -0.700 1
1 1683 . 14 1 1 A 140 140 THR CB C 140 72.698 72.034 0.664 1
1 1689 . 14 1 1 A 140 140 THR C C 140 174.222 174.149 0.073 1
1 1690 . 14 1 1 A 141 141 ASP N N 141 120.212 119.632 0.580 1
1 1691 . 14 1 1 A 141 141 ASP H H 141 8.959 8.580 0.379 1
1 1692 . 14 1 1 A 141 141 ASP CA C 141 53.333 53.894 -0.561 1
1 1693 . 14 1 1 A 141 141 ASP HA H 141 4.991 4.967 0.024 1
1 1694 . 14 1 1 A 141 141 ASP CB C 141 40.660 41.491 -0.831 1
1 1697 . 14 1 1 A 141 141 ASP C C 141 175.403 174.647 0.756 1
1 1698 . 14 1 1 A 142 142 ILE N N 142 120.815 121.813 -0.998 1
1 1699 . 14 1 1 A 142 142 ILE H H 142 7.444 7.708 -0.264 1
1 1700 . 14 1 1 A 142 142 ILE CA C 142 62.338 60.426 1.912 1
1 1701 . 14 1 1 A 142 142 ILE HA H 142 4.131 4.446 -0.315 1
1 1702 . 14 1 1 A 142 142 ILE CB C 142 38.703 39.256 -0.553 1
1 1715 . 14 1 1 A 142 142 ILE C C 142 175.399 174.673 0.726 1
1 1716 . 14 1 1 A 143 143 LYS N N 143 129.106 127.192 1.914 1
1 1717 . 14 1 1 A 143 143 LYS H H 143 8.588 9.017 -0.429 1
1 1718 . 14 1 1 A 143 143 LYS CA C 143 55.725 55.434 0.291 1
1 1719 . 14 1 1 A 143 143 LYS HA H 143 4.444 4.814 -0.370 1
1 1720 . 14 1 1 A 143 143 LYS CB C 143 33.768 33.929 -0.161 1
1 1732 . 14 1 1 A 143 143 LYS C C 143 174.820 175.460 -0.640 1
1 1733 . 14 1 1 A 144 144 ILE N N 144 122.496 124.346 -1.850 1
1 1734 . 14 1 1 A 144 144 ILE H H 144 7.884 8.789 -0.905 1
1 1735 . 14 1 1 A 144 144 ILE CA C 144 59.861 60.012 -0.151 1
1 1736 . 14 1 1 A 144 144 ILE HA H 144 4.937 5.241 -0.304 1
1 1737 . 14 1 1 A 144 144 ILE CB C 144 40.518 40.306 0.212 1
1 1750 . 14 1 1 A 144 144 ILE C C 144 175.232 175.051 0.181 1
1 1751 . 14 1 1 A 145 145 THR N N 145 126.667 124.575 2.092 1
1 1752 . 14 1 1 A 145 145 THR H H 145 9.100 9.522 -0.422 1
1 1753 . 14 1 1 A 145 145 THR CA C 145 61.374 61.905 -0.531 1
1 1754 . 14 1 1 A 145 145 THR HA H 145 4.992 4.960 0.032 1
1 1755 . 14 1 1 A 145 145 THR CB C 145 68.907 70.514 -1.607 1
1 1761 . 14 1 1 A 145 145 THR C C 145 173.158 173.263 -0.105 1
1 1762 . 14 1 1 A 146 146 VAL N N 146 127.717 128.292 -0.575 1
1 1763 . 14 1 1 A 146 146 VAL H H 146 8.818 9.284 -0.466 1
1 1764 . 14 1 1 A 146 146 VAL CA C 146 59.930 61.448 -1.518 1
1 1765 . 14 1 1 A 146 146 VAL HA H 146 5.053 5.079 -0.026 1
1 1766 . 14 1 1 A 146 146 VAL CB C 146 32.906 32.230 0.676 1
1 1776 . 14 1 1 A 146 146 VAL C C 146 175.653 175.105 0.548 1
1 1777 . 14 1 1 A 147 147 TYR N N 147 129.304 127.232 2.072 1
1 1778 . 14 1 1 A 147 147 TYR H H 147 8.926 9.105 -0.179 1
1 1779 . 14 1 1 A 147 147 TYR CA C 147 57.290 57.170 0.120 1
1 1780 . 14 1 1 A 147 147 TYR HA H 147 5.283 5.390 -0.107 1
1 1781 . 14 1 1 A 147 147 TYR CB C 147 40.422 39.781 0.641 1
1 1792 . 14 1 1 A 147 147 TYR C C 147 177.250 175.529 1.721 1
1 1793 . 14 1 1 A 148 148 THR N N 148 116.883 114.867 2.016 1
1 1794 . 14 1 1 A 148 148 THR H H 148 8.607 9.318 -0.711 1
1 1795 . 14 1 1 A 148 148 THR CA C 148 61.560 60.579 0.981 1
1 1796 . 14 1 1 A 148 148 THR HA H 148 4.431 5.299 -0.868 1
1 1797 . 14 1 1 A 148 148 THR CB C 148 70.966 71.101 -0.135 1
1 1803 . 14 1 1 A 148 148 THR C C 148 172.797 173.960 -1.163 1
1 1 . 15 1 1 A 5 5 SER CA C 5 58.376 58.358 0.018 1
1 2 . 15 1 1 A 5 5 SER HA H 5 4.528 5.203 -0.675 1
1 3 . 15 1 1 A 5 5 SER CB C 5 63.813 64.032 -0.219 1
1 5 . 15 1 1 A 5 5 SER C C 5 174.968 173.796 1.172 1
1 6 . 15 1 1 A 6 6 SER N N 6 117.996 121.314 -3.318 1
1 7 . 15 1 1 A 6 6 SER H H 6 8.503 8.929 -0.426 1
1 8 . 15 1 1 A 6 6 SER CA C 6 58.642 57.205 1.437 1
1 9 . 15 1 1 A 6 6 SER HA H 6 4.526 4.964 -0.438 1
1 10 . 15 1 1 A 6 6 SER CB C 6 63.855 66.018 -2.163 1
1 13 . 15 1 1 A 6 6 SER C C 6 175.129 174.737 0.392 1
1 14 . 15 1 1 A 7 7 GLY N N 7 110.904 110.002 0.902 1
1 15 . 15 1 1 A 7 7 GLY H H 7 8.470 8.696 -0.226 1
1 16 . 15 1 1 A 7 7 GLY CA C 7 45.430 46.123 -0.693 1
1 17 . 15 1 1 A 7 7 GLY HA2 H 7 4.030 3.983 0.047 1
1 18 . 15 1 1 A 7 7 GLY HA3 H 7 4.030 3.984 0.046 1
1 19 . 15 1 1 A 7 7 GLY C C 7 174.606 174.573 0.033 1
1 20 . 15 1 1 A 8 8 GLY N N 8 108.942 108.725 0.217 1
1 21 . 15 1 1 A 8 8 GLY H H 8 8.286 8.069 0.217 1
1 22 . 15 1 1 A 8 8 GLY CA C 8 45.058 46.192 -1.134 1
1 23 . 15 1 1 A 8 8 GLY HA2 H 8 4.027 3.853 0.174 1
1 24 . 15 1 1 A 8 8 GLY HA3 H 8 4.199 3.858 0.341 1
1 25 . 15 1 1 A 8 8 GLY C C 8 173.943 173.844 0.099 1
1 26 . 15 1 1 A 9 9 SER N N 9 115.435 118.822 -3.387 1
1 27 . 15 1 1 A 9 9 SER H H 9 8.275 8.348 -0.073 1
1 28 . 15 1 1 A 9 9 SER CA C 9 57.847 57.340 0.507 1
1 29 . 15 1 1 A 9 9 SER HA H 9 4.616 4.688 -0.072 1
1 30 . 15 1 1 A 9 9 SER CB C 9 64.102 64.296 -0.194 1
1 33 . 15 1 1 A 9 9 SER C C 9 174.962 175.516 -0.554 1
1 34 . 15 1 1 A 10 10 ARG N N 10 126.156 125.308 0.848 1
1 35 . 15 1 1 A 10 10 ARG H H 10 9.427 8.816 0.611 1
1 36 . 15 1 1 A 10 10 ARG CA C 10 56.662 59.117 -2.455 1
1 37 . 15 1 1 A 10 10 ARG HA H 10 4.332 4.007 0.325 1
1 38 . 15 1 1 A 10 10 ARG CB C 10 30.289 30.118 0.171 1
1 49 . 15 1 1 A 10 10 ARG C C 10 175.504 177.112 -1.608 1
1 50 . 15 1 1 A 11 11 ILE N N 11 119.127 120.226 -1.099 1
1 51 . 15 1 1 A 11 11 ILE H H 11 8.176 7.726 0.450 1
1 52 . 15 1 1 A 11 11 ILE CA C 11 61.153 61.834 -0.681 1
1 53 . 15 1 1 A 11 11 ILE HA H 11 4.553 4.000 0.553 1
1 54 . 15 1 1 A 11 11 ILE CB C 11 39.949 38.216 1.733 1
1 67 . 15 1 1 A 11 11 ILE C C 11 176.134 175.030 1.104 1
1 68 . 15 1 1 A 12 12 THR N N 12 124.682 122.927 1.755 1
1 69 . 15 1 1 A 12 12 THR H H 12 8.534 8.260 0.274 1
1 70 . 15 1 1 A 12 12 THR CA C 12 61.630 60.935 0.695 1
1 71 . 15 1 1 A 12 12 THR HA H 12 4.359 4.537 -0.178 1
1 72 . 15 1 1 A 12 12 THR CB C 12 70.705 71.836 -1.131 1
1 78 . 15 1 1 A 12 12 THR C C 12 171.804 172.639 -0.835 1
1 79 . 15 1 1 A 13 13 TYR N N 13 124.043 125.589 -1.546 1
1 80 . 15 1 1 A 13 13 TYR H H 13 8.691 8.629 0.062 1
1 81 . 15 1 1 A 13 13 TYR CA C 13 57.846 57.353 0.493 1
1 82 . 15 1 1 A 13 13 TYR HA H 13 5.099 5.477 -0.378 1
1 83 . 15 1 1 A 13 13 TYR CB C 13 39.895 40.062 -0.167 1
1 94 . 15 1 1 A 13 13 TYR C C 13 175.924 175.418 0.506 1
1 95 . 15 1 1 A 14 14 VAL N N 14 124.012 121.902 2.110 1
1 96 . 15 1 1 A 14 14 VAL H H 14 8.633 8.694 -0.061 1
1 97 . 15 1 1 A 14 14 VAL CA C 14 60.958 59.599 1.359 1
1 98 . 15 1 1 A 14 14 VAL HA H 14 4.015 4.694 -0.679 1
1 99 . 15 1 1 A 14 14 VAL CB C 14 35.416 35.143 0.273 1
1 109 . 15 1 1 A 14 14 VAL C C 14 173.974 173.670 0.304 1
1 110 . 15 1 1 A 15 15 LYS N N 15 127.960 126.122 1.838 1
1 111 . 15 1 1 A 15 15 LYS H H 15 8.318 8.748 -0.430 1
1 112 . 15 1 1 A 15 15 LYS CA C 15 54.152 54.971 -0.819 1
1 113 . 15 1 1 A 15 15 LYS HA H 15 5.126 5.015 0.111 1
1 114 . 15 1 1 A 15 15 LYS CB C 15 32.086 34.440 -2.354 1
1 126 . 15 1 1 A 15 15 LYS C C 15 176.050 175.198 0.852 1
1 127 . 15 1 1 A 16 16 GLY N N 16 114.545 112.566 1.979 1
1 128 . 15 1 1 A 16 16 GLY H H 16 8.508 8.328 0.180 1
1 129 . 15 1 1 A 16 16 GLY CA C 16 45.006 43.891 1.115 1
1 130 . 15 1 1 A 16 16 GLY HA2 H 16 4.028 4.113 -0.085 1
1 131 . 15 1 1 A 16 16 GLY HA3 H 16 4.197 4.145 0.052 1
1 132 . 15 1 1 A 16 16 GLY C C 16 170.957 173.285 -2.328 1
1 133 . 15 1 1 A 17 17 ASP N N 17 119.423 121.764 -2.341 1
1 134 . 15 1 1 A 17 17 ASP H H 17 8.271 8.686 -0.415 1
1 135 . 15 1 1 A 17 17 ASP CA C 17 53.164 55.332 -2.168 1
1 136 . 15 1 1 A 17 17 ASP HA H 17 4.407 4.362 0.045 1
1 137 . 15 1 1 A 17 17 ASP CB C 17 41.912 41.773 0.139 1
1 140 . 15 1 1 A 17 17 ASP C C 17 176.089 176.018 0.071 1
1 141 . 15 1 1 A 18 18 LEU N N 18 130.056 125.087 4.969 1
1 142 . 15 1 1 A 18 18 LEU H H 18 8.304 8.631 -0.327 1
1 143 . 15 1 1 A 18 18 LEU CA C 18 57.156 55.491 1.665 1
1 144 . 15 1 1 A 18 18 LEU HA H 18 2.425 3.565 -1.140 1
1 145 . 15 1 1 A 18 18 LEU CB C 18 42.959 43.630 -0.671 1
1 158 . 15 1 1 A 18 18 LEU C C 18 175.737 177.745 -2.008 1
1 159 . 15 1 1 A 19 19 PHE N N 19 109.678 116.913 -7.235 1
1 160 . 15 1 1 A 19 19 PHE H H 19 7.461 7.352 0.109 1
1 161 . 15 1 1 A 19 19 PHE CA C 19 59.844 59.705 0.139 1
1 162 . 15 1 1 A 19 19 PHE HA H 19 3.920 4.384 -0.464 1
1 163 . 15 1 1 A 19 19 PHE CB C 19 36.735 40.336 -3.601 1
1 176 . 15 1 1 A 19 19 PHE C C 19 175.833 177.706 -1.873 1
1 177 . 15 1 1 A 20 20 ALA N N 20 123.506 122.048 1.458 1
1 178 . 15 1 1 A 20 20 ALA H H 20 7.752 8.149 -0.397 1
1 179 . 15 1 1 A 20 20 ALA CA C 20 51.160 54.983 -3.823 1
1 180 . 15 1 1 A 20 20 ALA HA H 20 4.518 4.131 0.387 1
1 181 . 15 1 1 A 20 20 ALA CB C 20 18.395 18.459 -0.064 1
1 185 . 15 1 1 A 20 20 ALA C C 20 176.772 179.706 -2.934 1
1 186 . 15 1 1 A 21 21 CYS N N 21 118.823 117.194 1.629 1
1 187 . 15 1 1 A 21 21 CYS H H 21 7.225 8.214 -0.989 1
1 188 . 15 1 1 A 21 21 CYS CA C 21 56.813 63.619 -6.806 1
1 189 . 15 1 1 A 21 21 CYS HA H 21 4.580 4.162 0.418 1
1 190 . 15 1 1 A 21 21 CYS CB C 21 25.916 26.581 -0.665 1
1 193 . 15 1 1 A 21 21 CYS C C 21 170.919 175.266 -4.347 1
1 194 . 15 1 1 A 22 22 PRO CA C 22 64.000 62.595 1.405 1
1 195 . 15 1 1 A 22 22 PRO HA H 22 4.373 4.484 -0.111 1
1 196 . 15 1 1 A 22 22 PRO CB C 22 31.802 33.385 -1.583 1
1 205 . 15 1 1 A 22 22 PRO C C 22 178.609 176.177 2.432 1
1 206 . 15 1 1 A 23 23 LYS N N 23 122.870 120.355 2.515 1
1 207 . 15 1 1 A 23 23 LYS H H 23 8.785 8.788 -0.003 1
1 208 . 15 1 1 A 23 23 LYS CA C 23 58.671 57.172 1.499 1
1 209 . 15 1 1 A 23 23 LYS HA H 23 4.103 4.478 -0.375 1
1 210 . 15 1 1 A 23 23 LYS CB C 23 32.078 35.689 -3.611 1
1 222 . 15 1 1 A 23 23 LYS C C 23 175.722 177.610 -1.888 1
1 223 . 15 1 1 A 24 24 THR N N 24 102.744 106.559 -3.815 1
1 224 . 15 1 1 A 24 24 THR H H 24 7.097 7.447 -0.350 1
1 225 . 15 1 1 A 24 24 THR CA C 24 61.064 61.623 -0.559 1
1 226 . 15 1 1 A 24 24 THR HA H 24 4.166 4.587 -0.421 1
1 227 . 15 1 1 A 24 24 THR CB C 24 68.805 70.632 -1.827 1
1 233 . 15 1 1 A 24 24 THR C C 24 176.216 174.604 1.612 1
1 234 . 15 1 1 A 25 25 ASP N N 25 125.303 124.507 0.796 1
1 235 . 15 1 1 A 25 25 ASP H H 25 7.768 7.709 0.059 1
1 236 . 15 1 1 A 25 25 ASP CA C 25 55.246 55.030 0.216 1
1 237 . 15 1 1 A 25 25 ASP HA H 25 4.536 4.544 -0.008 1
1 238 . 15 1 1 A 25 25 ASP CB C 25 40.321 41.215 -0.894 1
1 241 . 15 1 1 A 25 25 ASP C C 25 177.718 175.619 2.099 1
1 242 . 15 1 1 A 26 26 SER N N 26 118.303 118.408 -0.105 1
1 243 . 15 1 1 A 26 26 SER H H 26 8.472 8.615 -0.143 1
1 244 . 15 1 1 A 26 26 SER CA C 26 61.547 57.904 3.643 1
1 245 . 15 1 1 A 26 26 SER HA H 26 5.138 4.845 0.293 1
1 246 . 15 1 1 A 26 26 SER CB C 26 65.326 65.181 0.145 1
1 249 . 15 1 1 A 26 26 SER C C 26 172.446 173.548 -1.102 1
1 250 . 15 1 1 A 27 27 LEU N N 27 121.957 122.143 -0.186 1
1 251 . 15 1 1 A 27 27 LEU H H 27 8.553 8.371 0.182 1
1 252 . 15 1 1 A 27 27 LEU CA C 27 53.919 53.580 0.339 1
1 253 . 15 1 1 A 27 27 LEU HA H 27 6.004 5.711 0.293 1
1 254 . 15 1 1 A 27 27 LEU CB C 27 48.728 45.468 3.260 1
1 267 . 15 1 1 A 27 27 LEU C C 27 176.071 176.024 0.047 1
1 268 . 15 1 1 A 28 28 ALA N N 28 119.120 123.913 -4.793 1
1 269 . 15 1 1 A 28 28 ALA H H 28 8.083 8.465 -0.382 1
1 270 . 15 1 1 A 28 28 ALA CA C 28 50.738 51.353 -0.615 1
1 271 . 15 1 1 A 28 28 ALA HA H 28 5.833 5.312 0.521 1
1 272 . 15 1 1 A 28 28 ALA CB C 28 24.493 21.636 2.857 1
1 276 . 15 1 1 A 28 28 ALA C C 28 174.396 175.360 -0.964 1
1 277 . 15 1 1 A 29 29 HIS N N 29 111.296 123.408 -12.112 1
1 278 . 15 1 1 A 29 29 HIS H H 29 8.042 8.432 -0.390 1
1 279 . 15 1 1 A 29 29 HIS CA C 29 55.617 54.178 1.439 1
1 280 . 15 1 1 A 29 29 HIS HA H 29 4.552 5.091 -0.539 1
1 281 . 15 1 1 A 29 29 HIS CB C 29 31.644 32.751 -1.107 1
1 288 . 15 1 1 A 29 29 HIS C C 29 172.453 173.197 -0.744 1
1 289 . 15 1 1 A 30 30 CYS N N 30 115.842 120.392 -4.550 1
1 290 . 15 1 1 A 30 30 CYS H H 30 8.182 7.536 0.646 1
1 291 . 15 1 1 A 30 30 CYS CA C 30 57.610 56.900 0.710 1
1 292 . 15 1 1 A 30 30 CYS HA H 30 5.489 5.162 0.327 1
1 293 . 15 1 1 A 30 30 CYS CB C 30 30.518 29.162 1.356 1
1 296 . 15 1 1 A 30 30 CYS C C 30 175.085 173.766 1.319 1
1 297 . 15 1 1 A 31 31 ILE N N 31 117.447 121.575 -4.128 1
1 298 . 15 1 1 A 31 31 ILE H H 31 9.209 8.940 0.269 1
1 299 . 15 1 1 A 31 31 ILE CA C 31 60.057 58.663 1.394 1
1 300 . 15 1 1 A 31 31 ILE HA H 31 4.816 5.104 -0.288 1
1 301 . 15 1 1 A 31 31 ILE CB C 31 43.206 42.473 0.733 1
1 314 . 15 1 1 A 31 31 ILE C C 31 173.249 174.397 -1.148 1
1 315 . 15 1 1 A 32 32 SER N N 32 111.596 119.029 -7.433 1
1 316 . 15 1 1 A 32 32 SER H H 32 7.858 8.822 -0.964 1
1 317 . 15 1 1 A 32 32 SER CA C 32 55.599 57.062 -1.463 1
1 318 . 15 1 1 A 32 32 SER HA H 32 5.139 4.845 0.294 1
1 319 . 15 1 1 A 32 32 SER CB C 32 66.377 65.409 0.968 1
1 322 . 15 1 1 A 32 32 SER C C 32 176.120 175.523 0.597 1
1 323 . 15 1 1 A 33 33 GLU N N 33 118.525 124.122 -5.597 1
1 324 . 15 1 1 A 33 33 GLU H H 33 8.189 8.822 -0.633 1
1 325 . 15 1 1 A 33 33 GLU CA C 33 59.273 60.134 -0.861 1
1 326 . 15 1 1 A 33 33 GLU HA H 33 3.759 3.996 -0.237 1
1 327 . 15 1 1 A 33 33 GLU CB C 33 30.553 29.343 1.210 1
1 333 . 15 1 1 A 33 33 GLU C C 33 177.446 177.952 -0.506 1
1 334 . 15 1 1 A 34 34 ASP N N 34 113.498 119.719 -6.221 1
1 335 . 15 1 1 A 34 34 ASP H H 34 7.480 7.526 -0.046 1
1 336 . 15 1 1 A 34 34 ASP CA C 34 54.511 56.918 -2.407 1
1 337 . 15 1 1 A 34 34 ASP HA H 34 4.342 4.390 -0.048 1
1 338 . 15 1 1 A 34 34 ASP CB C 34 40.374 40.749 -0.375 1
1 341 . 15 1 1 A 34 34 ASP C C 34 175.854 176.116 -0.262 1
1 342 . 15 1 1 A 35 35 CYS N N 35 111.837 116.878 -5.041 1
1 343 . 15 1 1 A 35 35 CYS H H 35 8.327 8.207 0.120 1
1 344 . 15 1 1 A 35 35 CYS CA C 35 61.093 60.721 0.372 1
1 345 . 15 1 1 A 35 35 CYS HA H 35 3.772 4.170 -0.398 1
1 346 . 15 1 1 A 35 35 CYS CB C 35 25.679 25.801 -0.122 1
1 349 . 15 1 1 A 35 35 CYS C C 35 173.370 173.793 -0.423 1
1 350 . 15 1 1 A 36 36 ARG N N 36 117.440 119.604 -2.164 1
1 351 . 15 1 1 A 36 36 ARG H H 36 7.473 7.969 -0.496 1
1 352 . 15 1 1 A 36 36 ARG CA C 36 57.988 54.175 3.813 1
1 353 . 15 1 1 A 36 36 ARG HA H 36 3.981 4.612 -0.631 1
1 354 . 15 1 1 A 36 36 ARG CB C 36 30.430 29.563 0.867 1
1 363 . 15 1 1 A 36 36 ARG C C 36 177.233 175.869 1.364 1
1 364 . 15 1 1 A 37 37 MET CA C 37 56.118 57.800 -1.682 1
1 365 . 15 1 1 A 37 37 MET HA H 37 4.036 4.301 -0.265 1
1 373 . 15 1 1 A 38 38 GLY H H 38 8.192 8.449 -0.257 1
1 374 . 15 1 1 A 38 38 GLY CA C 38 45.670 46.954 -1.284 1
1 375 . 15 1 1 A 38 38 GLY HA2 H 38 4.220 3.904 0.316 1
1 376 . 15 1 1 A 38 38 GLY HA3 H 38 3.595 3.909 -0.314 1
1 377 . 15 1 1 A 38 38 GLY C C 38 173.799 173.524 0.275 1
1 378 . 15 1 1 A 39 39 ALA N N 39 122.002 120.992 1.010 1
1 379 . 15 1 1 A 39 39 ALA H H 39 7.697 7.608 0.089 1
1 380 . 15 1 1 A 39 39 ALA CA C 39 51.019 51.657 -0.638 1
1 381 . 15 1 1 A 39 39 ALA HA H 39 4.678 4.582 0.096 1
1 382 . 15 1 1 A 39 39 ALA CB C 39 22.608 22.481 0.127 1
1 386 . 15 1 1 A 39 39 ALA C C 39 176.769 177.344 -0.575 1
1 387 . 15 1 1 A 40 40 GLY N N 40 107.149 107.928 -0.779 1
1 388 . 15 1 1 A 40 40 GLY H H 40 8.731 8.758 -0.027 1
1 389 . 15 1 1 A 40 40 GLY CA C 40 45.768 45.725 0.043 1
1 390 . 15 1 1 A 40 40 GLY HA2 H 40 3.957 4.021 -0.064 1
1 391 . 15 1 1 A 40 40 GLY HA3 H 40 4.220 4.036 0.184 1
1 392 . 15 1 1 A 40 40 GLY C C 40 176.747 175.036 1.711 1
1 393 . 15 1 1 A 41 41 ILE CA C 41 63.397 63.938 -0.541 1
1 394 . 15 1 1 A 41 41 ILE HA H 41 4.312 3.914 0.398 1
1 395 . 15 1 1 A 41 41 ILE CB C 41 38.794 37.772 1.022 1
1 408 . 15 1 1 A 41 41 ILE C C 41 177.249 177.863 -0.614 1
1 409 . 15 1 1 A 42 42 ALA N N 42 124.835 123.413 1.422 1
1 410 . 15 1 1 A 42 42 ALA H H 42 8.629 8.363 0.266 1
1 411 . 15 1 1 A 42 42 ALA CA C 42 55.599 55.516 0.083 1
1 412 . 15 1 1 A 42 42 ALA HA H 42 4.377 3.915 0.462 1
1 413 . 15 1 1 A 42 42 ALA CB C 42 18.155 18.423 -0.268 1
1 417 . 15 1 1 A 42 42 ALA C C 42 179.079 180.435 -1.356 1
1 418 . 15 1 1 A 43 43 VAL N N 43 116.015 118.831 -2.816 1
1 419 . 15 1 1 A 43 43 VAL H H 43 7.363 8.497 -1.134 1
1 420 . 15 1 1 A 43 43 VAL CA C 43 65.623 67.081 -1.458 1
1 421 . 15 1 1 A 43 43 VAL HA H 43 3.822 3.654 0.168 1
1 422 . 15 1 1 A 43 43 VAL CB C 43 32.408 31.634 0.774 1
1 432 . 15 1 1 A 43 43 VAL C C 43 178.285 178.177 0.108 1
1 433 . 15 1 1 A 44 44 LEU N N 44 119.736 118.726 1.010 1
1 434 . 15 1 1 A 44 44 LEU H H 44 7.357 8.589 -1.232 1
1 435 . 15 1 1 A 44 44 LEU CA C 44 57.460 58.071 -0.611 1
1 436 . 15 1 1 A 44 44 LEU HA H 44 3.968 3.805 0.163 1
1 437 . 15 1 1 A 44 44 LEU CB C 44 41.234 41.521 -0.287 1
1 450 . 15 1 1 A 44 44 LEU C C 44 179.972 179.036 0.936 1
1 451 . 15 1 1 A 45 45 PHE N N 45 118.434 117.011 1.423 1
1 452 . 15 1 1 A 45 45 PHE H H 45 7.733 7.707 0.026 1
1 453 . 15 1 1 A 45 45 PHE CA C 45 63.151 62.028 1.123 1
1 454 . 15 1 1 A 45 45 PHE HA H 45 4.009 4.563 -0.554 1
1 455 . 15 1 1 A 45 45 PHE CB C 45 39.883 38.316 1.567 1
1 468 . 15 1 1 A 45 45 PHE C C 45 180.448 177.686 2.762 1
1 469 . 15 1 1 A 46 46 LYS N N 46 124.749 122.266 2.483 1
1 470 . 15 1 1 A 46 46 LYS H H 46 8.819 8.638 0.181 1
1 471 . 15 1 1 A 46 46 LYS CA C 46 60.958 58.400 2.558 1
1 472 . 15 1 1 A 46 46 LYS HA H 46 4.160 4.348 -0.188 1
1 473 . 15 1 1 A 46 46 LYS CB C 46 31.930 32.758 -0.828 1
1 485 . 15 1 1 A 46 46 LYS C C 46 179.139 177.793 1.346 1
1 486 . 15 1 1 A 47 47 LYS N N 47 119.317 118.179 1.138 1
1 487 . 15 1 1 A 47 47 LYS H H 47 8.154 8.427 -0.273 1
1 488 . 15 1 1 A 47 47 LYS CA C 47 59.331 58.559 0.772 1
1 489 . 15 1 1 A 47 47 LYS HA H 47 3.939 4.181 -0.242 1
1 490 . 15 1 1 A 47 47 LYS CB C 47 33.065 33.131 -0.066 1
1 502 . 15 1 1 A 47 47 LYS C C 47 178.108 178.825 -0.717 1
1 503 . 15 1 1 A 48 48 LYS N N 48 116.005 118.353 -2.348 1
1 504 . 15 1 1 A 48 48 LYS H H 48 7.976 8.302 -0.326 1
1 505 . 15 1 1 A 48 48 LYS CA C 48 58.650 57.858 0.792 1
1 506 . 15 1 1 A 48 48 LYS HA H 48 3.684 3.976 -0.292 1
1 507 . 15 1 1 A 48 48 LYS CB C 48 32.372 33.339 -0.967 1
1 519 . 15 1 1 A 48 48 LYS C C 48 178.213 176.808 1.405 1
1 520 . 15 1 1 A 49 49 PHE N N 49 112.629 114.129 -1.500 1
1 521 . 15 1 1 A 49 49 PHE H H 49 7.658 8.205 -0.547 1
1 522 . 15 1 1 A 49 49 PHE CA C 49 56.958 56.108 0.850 1
1 523 . 15 1 1 A 49 49 PHE HA H 49 5.028 4.965 0.063 1
1 524 . 15 1 1 A 49 49 PHE CB C 49 40.496 38.030 2.466 1
1 537 . 15 1 1 A 49 49 PHE C C 49 176.188 176.949 -0.761 1
1 538 . 15 1 1 A 50 50 GLY N N 50 108.499 109.152 -0.653 1
1 539 . 15 1 1 A 50 50 GLY H H 50 7.821 8.477 -0.656 1
1 540 . 15 1 1 A 50 50 GLY CA C 50 46.579 47.243 -0.664 1
1 541 . 15 1 1 A 50 50 GLY HA2 H 50 3.953 3.817 0.136 1
1 542 . 15 1 1 A 50 50 GLY HA3 H 50 3.953 3.868 0.085 1
1 543 . 15 1 1 A 50 50 GLY C C 50 174.288 175.478 -1.190 1
1 544 . 15 1 1 A 51 51 GLY N N 51 108.968 107.119 1.849 1
1 545 . 15 1 1 A 51 51 GLY H H 51 8.600 8.044 0.556 1
1 546 . 15 1 1 A 51 51 GLY CA C 51 46.597 47.155 -0.558 1
1 547 . 15 1 1 A 51 51 GLY HA2 H 51 3.943 3.869 0.074 1
1 548 . 15 1 1 A 51 51 GLY HA3 H 51 4.047 3.880 0.167 1
1 549 . 15 1 1 A 51 51 GLY C C 51 174.522 175.428 -0.906 1
1 550 . 15 1 1 A 52 52 VAL N N 52 118.929 119.599 -0.670 1
1 551 . 15 1 1 A 52 52 VAL H H 52 7.980 7.990 -0.010 1
1 552 . 15 1 1 A 52 52 VAL CA C 52 68.080 65.657 2.423 1
1 553 . 15 1 1 A 52 52 VAL HA H 52 3.334 3.647 -0.313 1
1 554 . 15 1 1 A 52 52 VAL CB C 52 31.150 31.483 -0.333 1
1 564 . 15 1 1 A 52 52 VAL C C 52 177.566 177.818 -0.252 1
1 565 . 15 1 1 A 53 53 GLN N N 53 116.880 121.668 -4.788 1
1 566 . 15 1 1 A 53 53 GLN H H 53 8.513 7.930 0.583 1
1 567 . 15 1 1 A 53 53 GLN CA C 53 58.730 58.877 -0.147 1
1 568 . 15 1 1 A 53 53 GLN HA H 53 3.946 3.941 0.005 1
1 569 . 15 1 1 A 53 53 GLN CB C 53 28.098 28.259 -0.161 1
1 578 . 15 1 1 A 53 53 GLN C C 53 177.916 178.479 -0.563 1
1 579 . 15 1 1 A 54 54 GLU N N 54 119.584 119.689 -0.105 1
1 580 . 15 1 1 A 54 54 GLU H H 54 7.525 8.120 -0.595 1
1 581 . 15 1 1 A 54 54 GLU CA C 54 59.754 59.229 0.525 1
1 582 . 15 1 1 A 54 54 GLU HA H 54 3.980 4.074 -0.094 1
1 583 . 15 1 1 A 54 54 GLU CB C 54 29.509 29.220 0.289 1
1 589 . 15 1 1 A 54 54 GLU C C 54 180.168 179.520 0.648 1
1 590 . 15 1 1 A 55 55 LEU N N 55 121.130 120.594 0.536 1
1 591 . 15 1 1 A 55 55 LEU H H 55 8.437 8.296 0.141 1
1 592 . 15 1 1 A 55 55 LEU CA C 55 58.005 57.605 0.400 1
1 593 . 15 1 1 A 55 55 LEU HA H 55 3.870 4.006 -0.136 1
1 594 . 15 1 1 A 55 55 LEU CB C 55 42.588 41.620 0.968 1
1 607 . 15 1 1 A 55 55 LEU C C 55 180.835 179.466 1.369 1
1 608 . 15 1 1 A 56 56 LEU N N 56 123.508 118.587 4.921 1
1 609 . 15 1 1 A 56 56 LEU H H 56 8.664 8.085 0.579 1
1 610 . 15 1 1 A 56 56 LEU CA C 56 58.397 57.770 0.627 1
1 611 . 15 1 1 A 56 56 LEU HA H 56 3.972 3.913 0.059 1
1 612 . 15 1 1 A 56 56 LEU CB C 56 42.087 40.988 1.099 1
1 625 . 15 1 1 A 56 56 LEU C C 56 181.257 179.350 1.907 1
1 626 . 15 1 1 A 57 57 ASN N N 57 116.946 118.613 -1.667 1
1 627 . 15 1 1 A 57 57 ASN H H 57 8.334 8.141 0.193 1
1 628 . 15 1 1 A 57 57 ASN CA C 57 54.627 56.697 -2.070 1
1 629 . 15 1 1 A 57 57 ASN HA H 57 4.566 4.397 0.169 1
1 630 . 15 1 1 A 57 57 ASN CB C 57 38.170 38.002 0.168 1
1 636 . 15 1 1 A 57 57 ASN C C 57 176.756 178.385 -1.629 1
1 637 . 15 1 1 A 58 58 GLN N N 58 118.214 116.775 1.439 1
1 638 . 15 1 1 A 58 58 GLN H H 58 7.670 7.615 0.055 1
1 639 . 15 1 1 A 58 58 GLN CA C 58 58.022 57.334 0.688 1
1 640 . 15 1 1 A 58 58 GLN HA H 58 4.184 4.241 -0.057 1
1 641 . 15 1 1 A 58 58 GLN CB C 58 28.460 28.983 -0.523 1
1 650 . 15 1 1 A 58 58 GLN C C 58 175.792 175.434 0.358 1
1 651 . 15 1 1 A 59 59 GLN N N 59 114.113 116.094 -1.981 1
1 652 . 15 1 1 A 59 59 GLN H H 59 7.825 8.170 -0.345 1
1 653 . 15 1 1 A 59 59 GLN CA C 59 56.584 56.850 -0.266 1
1 654 . 15 1 1 A 59 59 GLN HA H 59 4.015 3.817 0.198 1
1 655 . 15 1 1 A 59 59 GLN CB C 59 26.829 26.203 0.626 1
1 664 . 15 1 1 A 59 59 GLN C C 59 175.049 175.106 -0.057 1
1 665 . 15 1 1 A 60 60 LYS N N 60 118.472 118.716 -0.244 1
1 666 . 15 1 1 A 60 60 LYS H H 60 9.134 8.159 0.975 1
1 667 . 15 1 1 A 60 60 LYS CA C 60 54.005 56.364 -2.359 1
1 668 . 15 1 1 A 60 60 LYS HA H 60 4.458 4.442 0.016 1
1 669 . 15 1 1 A 60 60 LYS CB C 60 32.573 34.046 -1.473 1
1 681 . 15 1 1 A 60 60 LYS C C 60 176.936 175.420 1.516 1
1 682 . 15 1 1 A 61 61 LYS N N 61 121.877 119.493 2.384 1
1 683 . 15 1 1 A 61 61 LYS H H 61 9.069 8.623 0.446 1
1 684 . 15 1 1 A 61 61 LYS CA C 61 53.421 54.583 -1.162 1
1 685 . 15 1 1 A 61 61 LYS HA H 61 4.517 5.040 -0.523 1
1 686 . 15 1 1 A 61 61 LYS CB C 61 35.816 36.391 -0.575 1
1 698 . 15 1 1 A 61 61 LYS C C 61 175.049 176.236 -1.187 1
1 699 . 15 1 1 A 62 62 SER N N 62 114.153 118.819 -4.666 1
1 700 . 15 1 1 A 62 62 SER H H 62 8.524 8.770 -0.246 1
1 701 . 15 1 1 A 62 62 SER CA C 62 60.959 60.478 0.481 1
1 702 . 15 1 1 A 62 62 SER HA H 62 3.954 4.344 -0.390 1
1 703 . 15 1 1 A 62 62 SER CB C 62 64.374 62.873 1.501 1
1 706 . 15 1 1 A 62 62 SER C C 62 175.660 175.521 0.139 1
1 707 . 15 1 1 A 63 63 GLY N N 63 111.615 113.355 -1.740 1
1 708 . 15 1 1 A 63 63 GLY H H 63 9.308 8.533 0.775 1
1 709 . 15 1 1 A 63 63 GLY CA C 63 44.971 45.162 -0.191 1
1 710 . 15 1 1 A 63 63 GLY HA2 H 63 4.188 4.007 0.181 1
1 711 . 15 1 1 A 63 63 GLY HA3 H 63 4.188 4.010 0.178 1
1 712 . 15 1 1 A 63 63 GLY C C 63 172.420 173.982 -1.562 1
1 713 . 15 1 1 A 64 64 GLU N N 64 117.287 119.694 -2.407 1
1 714 . 15 1 1 A 64 64 GLU H H 64 7.909 8.089 -0.180 1
1 715 . 15 1 1 A 64 64 GLU CA C 64 53.972 54.554 -0.582 1
1 716 . 15 1 1 A 64 64 GLU HA H 64 4.549 4.788 -0.239 1
1 717 . 15 1 1 A 64 64 GLU CB C 64 32.449 32.251 0.198 1
1 723 . 15 1 1 A 64 64 GLU C C 64 174.611 175.013 -0.402 1
1 724 . 15 1 1 A 65 65 VAL N N 65 118.093 120.897 -2.804 1
1 725 . 15 1 1 A 65 65 VAL H H 65 8.337 8.815 -0.478 1
1 726 . 15 1 1 A 65 65 VAL CA C 65 59.380 59.525 -0.145 1
1 727 . 15 1 1 A 65 65 VAL HA H 65 5.149 5.088 0.061 1
1 728 . 15 1 1 A 65 65 VAL CB C 65 35.892 35.099 0.793 1
1 738 . 15 1 1 A 65 65 VAL C C 65 172.013 173.164 -1.151 1
1 739 . 15 1 1 A 66 66 ALA N N 66 130.790 130.017 0.773 1
1 740 . 15 1 1 A 66 66 ALA H H 66 8.876 9.000 -0.124 1
1 741 . 15 1 1 A 66 66 ALA CA C 66 50.170 50.177 -0.007 1
1 742 . 15 1 1 A 66 66 ALA HA H 66 4.879 5.652 -0.773 1
1 743 . 15 1 1 A 66 66 ALA CB C 66 21.291 20.730 0.561 1
1 747 . 15 1 1 A 66 66 ALA C C 66 175.997 176.252 -0.255 1
1 748 . 15 1 1 A 67 67 VAL N N 67 119.453 122.549 -3.096 1
1 749 . 15 1 1 A 67 67 VAL H H 67 8.615 8.525 0.090 1
1 750 . 15 1 1 A 67 67 VAL CA C 67 61.078 60.996 0.082 1
1 751 . 15 1 1 A 67 67 VAL HA H 67 5.255 4.892 0.363 1
1 752 . 15 1 1 A 67 67 VAL CB C 67 36.283 33.804 2.479 1
1 762 . 15 1 1 A 67 67 VAL C C 67 176.213 174.854 1.359 1
1 763 . 15 1 1 A 68 68 LEU N N 68 126.404 127.279 -0.875 1
1 764 . 15 1 1 A 68 68 LEU H H 68 9.013 8.224 0.789 1
1 765 . 15 1 1 A 68 68 LEU CA C 68 53.424 54.356 -0.932 1
1 766 . 15 1 1 A 68 68 LEU HA H 68 4.809 4.974 -0.165 1
1 767 . 15 1 1 A 68 68 LEU CB C 68 46.473 46.201 0.272 1
1 780 . 15 1 1 A 68 68 LEU C C 68 174.704 173.946 0.758 1
1 781 . 15 1 1 A 69 69 LYS N N 69 123.462 127.326 -3.864 1
1 782 . 15 1 1 A 69 69 LYS H H 69 8.756 8.912 -0.156 1
1 783 . 15 1 1 A 69 69 LYS CA C 69 55.228 55.521 -0.293 1
1 784 . 15 1 1 A 69 69 LYS HA H 69 4.791 4.876 -0.085 1
1 785 . 15 1 1 A 69 69 LYS CB C 69 33.820 33.327 0.493 1
1 797 . 15 1 1 A 69 69 LYS C C 69 177.387 175.853 1.534 1
1 798 . 15 1 1 A 70 70 ARG N N 70 127.852 128.694 -0.842 1
1 799 . 15 1 1 A 70 70 ARG H H 70 8.688 8.555 0.133 1
1 800 . 15 1 1 A 70 70 ARG CA C 70 52.929 57.388 -4.459 1
1 801 . 15 1 1 A 70 70 ARG CB C 70 34.028 32.300 1.728 1
1 809 . 15 1 1 A 70 70 ARG C C 70 175.460 175.262 0.198 1
1 810 . 15 1 1 A 71 71 ASP CA C 71 55.193 52.435 2.758 1
1 811 . 15 1 1 A 71 71 ASP HA H 71 4.268 4.797 -0.529 1
1 812 . 15 1 1 A 71 71 ASP CB C 71 40.326 41.622 -1.296 1
1 815 . 15 1 1 A 71 71 ASP C C 71 175.970 175.640 0.330 1
1 816 . 15 1 1 A 72 72 GLY N N 72 104.319 113.148 -8.829 1
1 817 . 15 1 1 A 72 72 GLY H H 72 8.642 8.626 0.016 1
1 818 . 15 1 1 A 72 72 GLY CA C 72 45.692 46.829 -1.137 1
1 819 . 15 1 1 A 72 72 GLY HA2 H 72 4.062 3.810 0.252 1
1 820 . 15 1 1 A 72 72 GLY HA3 H 72 3.516 3.849 -0.333 1
1 821 . 15 1 1 A 72 72 GLY C C 72 172.604 173.340 -0.736 1
1 822 . 15 1 1 A 73 73 ARG N N 73 118.257 115.626 2.631 1
1 823 . 15 1 1 A 73 73 ARG H H 73 7.794 7.375 0.419 1
1 824 . 15 1 1 A 73 73 ARG CA C 73 52.893 53.945 -1.052 1
1 825 . 15 1 1 A 73 73 ARG HA H 73 4.560 4.574 -0.014 1
1 826 . 15 1 1 A 73 73 ARG CB C 73 31.831 32.944 -1.113 1
1 837 . 15 1 1 A 73 73 ARG C C 73 173.057 173.763 -0.706 1
1 838 . 15 1 1 A 74 74 TYR N N 74 117.830 119.884 -2.054 1
1 839 . 15 1 1 A 74 74 TYR H H 74 8.366 8.405 -0.039 1
1 840 . 15 1 1 A 74 74 TYR CA C 74 57.987 56.757 1.230 1
1 841 . 15 1 1 A 74 74 TYR HA H 74 5.005 5.254 -0.249 1
1 842 . 15 1 1 A 74 74 TYR CB C 74 40.473 39.249 1.224 1
1 853 . 15 1 1 A 74 74 TYR C C 74 173.530 174.525 -0.995 1
1 854 . 15 1 1 A 75 75 ILE N N 75 120.880 124.912 -4.032 1
1 855 . 15 1 1 A 75 75 ILE H H 75 8.923 8.847 0.076 1
1 856 . 15 1 1 A 75 75 ILE CA C 75 59.632 60.263 -0.631 1
1 857 . 15 1 1 A 75 75 ILE HA H 75 4.398 4.626 -0.228 1
1 858 . 15 1 1 A 75 75 ILE CB C 75 37.608 38.042 -0.434 1
1 871 . 15 1 1 A 75 75 ILE C C 75 174.203 175.087 -0.884 1
1 872 . 15 1 1 A 76 76 TYR N N 76 125.586 127.804 -2.218 1
1 873 . 15 1 1 A 76 76 TYR H H 76 9.540 8.937 0.603 1
1 874 . 15 1 1 A 76 76 TYR CA C 76 59.137 56.650 2.487 1
1 875 . 15 1 1 A 76 76 TYR HA H 76 4.630 5.459 -0.829 1
1 876 . 15 1 1 A 76 76 TYR CB C 76 39.909 40.655 -0.746 1
1 887 . 15 1 1 A 76 76 TYR C C 76 174.280 174.831 -0.551 1
1 888 . 15 1 1 A 77 77 TYR N N 77 123.524 121.861 1.663 1
1 889 . 15 1 1 A 77 77 TYR H H 77 9.221 8.943 0.278 1
1 890 . 15 1 1 A 77 77 TYR CA C 77 55.476 56.412 -0.936 1
1 891 . 15 1 1 A 77 77 TYR HA H 77 4.155 5.090 -0.935 1
1 892 . 15 1 1 A 77 77 TYR CB C 77 35.926 38.806 -2.880 1
1 903 . 15 1 1 A 77 77 TYR C C 77 174.236 175.132 -0.896 1
1 904 . 15 1 1 A 78 78 LEU N N 78 123.875 125.562 -1.687 1
1 905 . 15 1 1 A 78 78 LEU H H 78 8.948 8.271 0.677 1
1 906 . 15 1 1 A 78 78 LEU CA C 78 55.635 56.023 -0.388 1
1 907 . 15 1 1 A 78 78 LEU HA H 78 4.134 4.328 -0.194 1
1 908 . 15 1 1 A 78 78 LEU CB C 78 40.856 41.943 -1.087 1
1 921 . 15 1 1 A 78 78 LEU C C 78 175.294 176.159 -0.865 1
1 922 . 15 1 1 A 79 79 ILE N N 79 127.986 125.466 2.520 1
1 923 . 15 1 1 A 79 79 ILE H H 79 8.322 8.395 -0.073 1
1 924 . 15 1 1 A 79 79 ILE CA C 79 59.349 60.594 -1.245 1
1 925 . 15 1 1 A 79 79 ILE HA H 79 4.372 4.751 -0.379 1
1 926 . 15 1 1 A 79 79 ILE CB C 79 34.277 39.104 -4.827 1
1 939 . 15 1 1 A 79 79 ILE C C 79 176.505 176.000 0.505 1
1 940 . 15 1 1 A 80 80 THR N N 80 113.978 118.786 -4.808 1
1 941 . 15 1 1 A 80 80 THR H H 80 8.276 8.904 -0.628 1
1 942 . 15 1 1 A 80 80 THR CA C 80 61.646 62.076 -0.430 1
1 943 . 15 1 1 A 80 80 THR HA H 80 4.334 4.575 -0.241 1
1 944 . 15 1 1 A 80 80 THR CB C 80 69.165 69.799 -0.634 1
1 950 . 15 1 1 A 80 80 THR C C 80 172.999 174.156 -1.157 1
1 951 . 15 1 1 A 81 81 LYS N N 81 114.856 118.291 -3.435 1
1 952 . 15 1 1 A 81 81 LYS H H 81 7.512 7.529 -0.017 1
1 953 . 15 1 1 A 81 81 LYS CA C 81 54.894 54.682 0.212 1
1 954 . 15 1 1 A 81 81 LYS HA H 81 4.649 4.720 -0.071 1
1 955 . 15 1 1 A 81 81 LYS CB C 81 34.139 35.041 -0.902 1
1 964 . 15 1 1 A 81 81 LYS C C 81 175.344 176.381 -1.037 1
1 965 . 15 1 1 A 82 82 LYS N N 82 121.209 119.234 1.975 1
1 966 . 15 1 1 A 82 82 LYS H H 82 9.577 9.028 0.549 1
1 967 . 15 1 1 A 82 82 LYS CA C 82 60.198 58.037 2.161 1
1 968 . 15 1 1 A 82 82 LYS HA H 82 3.884 4.384 -0.500 1
1 969 . 15 1 1 A 82 82 LYS CB C 82 33.603 33.203 0.400 1
1 981 . 15 1 1 A 82 82 LYS C C 82 176.049 177.174 -1.125 1
1 982 . 15 1 1 A 83 83 ARG N N 83 112.456 117.740 -5.284 1
1 983 . 15 1 1 A 83 83 ARG H H 83 6.717 7.955 -1.238 1
1 984 . 15 1 1 A 83 83 ARG CA C 83 52.451 54.160 -1.709 1
1 985 . 15 1 1 A 83 83 ARG HA H 83 4.691 4.924 -0.233 1
1 986 . 15 1 1 A 83 83 ARG CB C 83 32.857 32.959 -0.102 1
1 995 . 15 1 1 A 83 83 ARG C C 83 177.299 176.606 0.693 1
1 996 . 15 1 1 A 84 84 ALA N N 84 124.857 124.807 0.050 1
1 997 . 15 1 1 A 84 84 ALA H H 84 9.290 8.946 0.344 1
1 998 . 15 1 1 A 84 84 ALA CA C 84 56.005 55.648 0.357 1
1 999 . 15 1 1 A 84 84 ALA HA H 84 3.895 3.994 -0.099 1
1 1000 . 15 1 1 A 84 84 ALA CB C 84 19.175 18.188 0.987 1
1 1004 . 15 1 1 A 84 84 ALA C C 84 178.350 179.314 -0.964 1
1 1005 . 15 1 1 A 85 85 SER CA C 85 58.631 61.182 -2.551 1
1 1006 . 15 1 1 A 85 85 SER HA H 85 4.338 4.036 0.302 1
1 1007 . 15 1 1 A 85 85 SER CB C 85 63.277 62.822 0.455 1
1 1010 . 15 1 1 A 85 85 SER C C 85 175.469 174.109 1.360 1
1 1011 . 15 1 1 A 86 86 HIS N N 86 121.978 117.146 4.832 1
1 1012 . 15 1 1 A 86 86 HIS H H 86 7.560 7.916 -0.356 1
1 1013 . 15 1 1 A 86 86 HIS CA C 86 54.468 55.238 -0.770 1
1 1014 . 15 1 1 A 86 86 HIS HA H 86 4.766 4.766 0.000 1
1 1015 . 15 1 1 A 86 86 HIS CB C 86 33.069 30.782 2.287 1
1 1022 . 15 1 1 A 86 86 HIS C C 86 174.466 174.509 -0.043 1
1 1023 . 15 1 1 A 87 87 LYS N N 87 122.014 125.647 -3.633 1
1 1024 . 15 1 1 A 87 87 LYS H H 87 8.693 8.702 -0.009 1
1 1025 . 15 1 1 A 87 87 LYS CA C 87 53.283 54.521 -1.238 1
1 1026 . 15 1 1 A 87 87 LYS HA H 87 4.792 4.487 0.305 1
1 1027 . 15 1 1 A 87 87 LYS CB C 87 32.803 31.801 1.002 1
1 1037 . 15 1 1 A 87 87 LYS C C 87 175.072 174.752 0.320 1
1 1038 . 15 1 1 A 88 88 PRO CA C 88 62.515 62.914 -0.399 1
1 1039 . 15 1 1 A 88 88 PRO HA H 88 4.796 4.641 0.155 1
1 1040 . 15 1 1 A 88 88 PRO CB C 88 32.687 31.866 0.821 1
1 1049 . 15 1 1 A 88 88 PRO C C 88 175.319 176.262 -0.943 1
1 1050 . 15 1 1 A 89 89 THR N N 89 107.501 112.610 -5.109 1
1 1051 . 15 1 1 A 89 89 THR H H 89 7.933 8.212 -0.279 1
1 1052 . 15 1 1 A 89 89 THR CA C 89 58.518 60.086 -1.568 1
1 1053 . 15 1 1 A 89 89 THR HA H 89 4.758 4.608 0.150 1
1 1054 . 15 1 1 A 89 89 THR CB C 89 70.861 70.484 0.377 1
1 1060 . 15 1 1 A 89 89 THR C C 89 175.662 175.288 0.374 1
1 1061 . 15 1 1 A 90 90 TYR N N 90 120.845 125.356 -4.511 1
1 1062 . 15 1 1 A 90 90 TYR H H 90 8.751 8.508 0.243 1
1 1063 . 15 1 1 A 90 90 TYR CA C 90 63.195 61.643 1.552 1
1 1064 . 15 1 1 A 90 90 TYR HA H 90 4.064 4.205 -0.141 1
1 1065 . 15 1 1 A 90 90 TYR CB C 90 37.372 38.377 -1.005 1
1 1076 . 15 1 1 A 90 90 TYR C C 90 178.063 178.040 0.023 1
1 1077 . 15 1 1 A 91 91 GLU N N 91 118.210 120.105 -1.895 1
1 1078 . 15 1 1 A 91 91 GLU H H 91 8.857 8.458 0.399 1
1 1079 . 15 1 1 A 91 91 GLU CA C 91 60.312 59.938 0.374 1
1 1080 . 15 1 1 A 91 91 GLU HA H 91 4.114 4.012 0.102 1
1 1081 . 15 1 1 A 91 91 GLU CB C 91 29.276 29.230 0.046 1
1 1087 . 15 1 1 A 91 91 GLU C C 91 178.970 179.325 -0.355 1
1 1088 . 15 1 1 A 92 92 ASN N N 92 117.220 118.812 -1.592 1
1 1089 . 15 1 1 A 92 92 ASN H H 92 7.894 8.233 -0.339 1
1 1090 . 15 1 1 A 92 92 ASN CA C 92 55.334 56.407 -1.073 1
1 1091 . 15 1 1 A 92 92 ASN HA H 92 4.696 4.556 0.140 1
1 1092 . 15 1 1 A 92 92 ASN CB C 92 37.704 38.414 -0.710 1
1 1098 . 15 1 1 A 92 92 ASN C C 92 178.155 177.644 0.511 1
1 1099 . 15 1 1 A 93 93 LEU N N 93 121.622 121.280 0.342 1
1 1100 . 15 1 1 A 93 93 LEU H H 93 8.038 8.096 -0.058 1
1 1101 . 15 1 1 A 93 93 LEU CA C 93 58.495 58.902 -0.407 1
1 1102 . 15 1 1 A 93 93 LEU HA H 93 4.092 3.995 0.097 1
1 1103 . 15 1 1 A 93 93 LEU CB C 93 41.383 41.917 -0.534 1
1 1116 . 15 1 1 A 93 93 LEU C C 93 177.808 178.492 -0.684 1
1 1117 . 15 1 1 A 94 94 GLN N N 94 120.352 118.229 2.123 1
1 1118 . 15 1 1 A 94 94 GLN H H 94 8.792 8.094 0.698 1
1 1119 . 15 1 1 A 94 94 GLN CA C 94 61.099 59.348 1.751 1
1 1120 . 15 1 1 A 94 94 GLN HA H 94 3.721 3.982 -0.261 1
1 1121 . 15 1 1 A 94 94 GLN CB C 94 27.560 28.881 -1.321 1
1 1130 . 15 1 1 A 94 94 GLN C C 94 178.042 178.367 -0.325 1
1 1131 . 15 1 1 A 95 95 LYS N N 95 117.824 118.368 -0.544 1
1 1132 . 15 1 1 A 95 95 LYS H H 95 7.803 7.680 0.123 1
1 1133 . 15 1 1 A 95 95 LYS CA C 95 60.222 59.375 0.847 1
1 1134 . 15 1 1 A 95 95 LYS HA H 95 4.012 3.966 0.046 1
1 1135 . 15 1 1 A 95 95 LYS CB C 95 33.168 32.258 0.910 1
1 1147 . 15 1 1 A 95 95 LYS C C 95 179.868 179.201 0.667 1
1 1148 . 15 1 1 A 96 96 SER N N 96 118.301 115.780 2.521 1
1 1149 . 15 1 1 A 96 96 SER H H 96 8.251 8.172 0.079 1
1 1150 . 15 1 1 A 96 96 SER CA C 96 63.668 62.380 1.288 1
1 1151 . 15 1 1 A 96 96 SER HA H 96 3.710 4.154 -0.444 1
1 1152 . 15 1 1 A 96 96 SER CB C 96 62.882 62.779 0.103 1
1 1155 . 15 1 1 A 96 96 SER C C 96 176.400 176.290 0.110 1
1 1156 . 15 1 1 A 97 97 LEU N N 97 122.701 120.395 2.306 1
1 1157 . 15 1 1 A 97 97 LEU H H 97 8.467 8.418 0.049 1
1 1158 . 15 1 1 A 97 97 LEU CA C 97 58.323 57.923 0.400 1
1 1159 . 15 1 1 A 97 97 LEU HA H 97 3.861 4.018 -0.157 1
1 1160 . 15 1 1 A 97 97 LEU CB C 97 42.995 41.205 1.790 1
1 1173 . 15 1 1 A 97 97 LEU C C 97 178.941 179.521 -0.580 1
1 1174 . 15 1 1 A 98 98 GLU N N 98 119.918 119.055 0.863 1
1 1175 . 15 1 1 A 98 98 GLU H H 98 8.410 8.362 0.048 1
1 1176 . 15 1 1 A 98 98 GLU CA C 98 59.561 59.436 0.125 1
1 1177 . 15 1 1 A 98 98 GLU HA H 98 3.622 3.907 -0.285 1
1 1178 . 15 1 1 A 98 98 GLU CB C 98 29.142 28.309 0.833 1
1 1184 . 15 1 1 A 98 98 GLU C C 98 179.137 178.676 0.461 1
1 1185 . 15 1 1 A 99 99 ALA N N 99 124.193 122.957 1.236 1
1 1186 . 15 1 1 A 99 99 ALA H H 99 8.197 7.960 0.237 1
1 1187 . 15 1 1 A 99 99 ALA CA C 99 55.016 54.963 0.053 1
1 1188 . 15 1 1 A 99 99 ALA HA H 99 4.247 4.142 0.105 1
1 1189 . 15 1 1 A 99 99 ALA CB C 99 17.815 18.409 -0.594 1
1 1193 . 15 1 1 A 99 99 ALA C C 99 181.133 179.433 1.700 1
1 1194 . 15 1 1 A 100 100 MET N N 100 122.009 118.437 3.572 1
1 1195 . 15 1 1 A 100 100 MET H H 100 8.482 8.119 0.363 1
1 1196 . 15 1 1 A 100 100 MET CA C 100 59.826 58.262 1.564 1
1 1197 . 15 1 1 A 100 100 MET HA H 100 3.714 3.987 -0.273 1
1 1198 . 15 1 1 A 100 100 MET CB C 100 32.944 32.020 0.924 1
1 1208 . 15 1 1 A 100 100 MET C C 100 176.658 177.829 -1.171 1
1 1209 . 15 1 1 A 101 101 LYS N N 101 120.991 118.392 2.599 1
1 1210 . 15 1 1 A 101 101 LYS H H 101 8.721 7.645 1.076 1
1 1211 . 15 1 1 A 101 101 LYS CA C 101 60.563 58.722 1.841 1
1 1212 . 15 1 1 A 101 101 LYS HA H 101 3.614 4.001 -0.387 1
1 1213 . 15 1 1 A 101 101 LYS CB C 101 30.759 32.009 -1.250 1
1 1225 . 15 1 1 A 101 101 LYS C C 101 177.419 178.267 -0.848 1
1 1226 . 15 1 1 A 102 102 SER N N 102 111.833 114.738 -2.905 1
1 1227 . 15 1 1 A 102 102 SER H H 102 8.005 7.626 0.379 1
1 1228 . 15 1 1 A 102 102 SER CA C 102 61.993 61.747 0.246 1
1 1229 . 15 1 1 A 102 102 SER HA H 102 4.082 4.113 -0.031 1
1 1230 . 15 1 1 A 102 102 SER CB C 102 62.863 63.060 -0.197 1
1 1233 . 15 1 1 A 102 102 SER C C 102 176.601 177.080 -0.479 1
1 1234 . 15 1 1 A 103 103 HIS N N 103 121.793 120.768 1.025 1
1 1235 . 15 1 1 A 103 103 HIS H H 103 7.605 7.800 -0.195 1
1 1236 . 15 1 1 A 103 103 HIS CA C 103 62.090 59.565 2.525 1
1 1237 . 15 1 1 A 103 103 HIS HA H 103 4.000 4.329 -0.329 1
1 1238 . 15 1 1 A 103 103 HIS CB C 103 30.652 29.685 0.967 1
1 1245 . 15 1 1 A 103 103 HIS C C 103 179.129 176.748 2.381 1
1 1246 . 15 1 1 A 104 104 CYS N N 104 119.421 116.697 2.724 1
1 1247 . 15 1 1 A 104 104 CYS H H 104 9.261 8.107 1.154 1
1 1248 . 15 1 1 A 104 104 CYS CA C 104 63.841 63.613 0.228 1
1 1249 . 15 1 1 A 104 104 CYS HA H 104 4.105 4.115 -0.010 1
1 1250 . 15 1 1 A 104 104 CYS CB C 104 27.916 27.139 0.777 1
1 1253 . 15 1 1 A 104 104 CYS C C 104 178.176 177.268 0.908 1
1 1254 . 15 1 1 A 105 105 LEU N N 105 117.129 120.630 -3.501 1
1 1255 . 15 1 1 A 105 105 LEU H H 105 8.331 7.911 0.420 1
1 1256 . 15 1 1 A 105 105 LEU CA C 105 57.262 58.047 -0.785 1
1 1257 . 15 1 1 A 105 105 LEU HA H 105 4.245 3.966 0.279 1
1 1258 . 15 1 1 A 105 105 LEU CB C 105 42.030 41.964 0.066 1
1 1271 . 15 1 1 A 105 105 LEU C C 105 180.635 178.918 1.717 1
1 1272 . 15 1 1 A 106 106 LYS N N 106 118.583 116.941 1.642 1
1 1273 . 15 1 1 A 106 106 LYS H H 106 7.638 7.989 -0.351 1
1 1274 . 15 1 1 A 106 106 LYS CA C 106 58.075 59.977 -1.902 1
1 1275 . 15 1 1 A 106 106 LYS HA H 106 4.140 3.838 0.302 1
1 1276 . 15 1 1 A 106 106 LYS CB C 106 33.191 32.232 0.959 1
1 1288 . 15 1 1 A 106 106 LYS C C 106 177.466 179.085 -1.619 1
1 1289 . 15 1 1 A 107 107 ASN N N 107 113.320 114.804 -1.484 1
1 1290 . 15 1 1 A 107 107 ASN H H 107 7.606 7.767 -0.161 1
1 1291 . 15 1 1 A 107 107 ASN CA C 107 53.813 54.999 -1.186 1
1 1292 . 15 1 1 A 107 107 ASN HA H 107 4.841 4.465 0.376 1
1 1293 . 15 1 1 A 107 107 ASN CB C 107 39.785 38.666 1.119 1
1 1299 . 15 1 1 A 107 107 ASN C C 107 174.443 175.902 -1.459 1
1 1300 . 15 1 1 A 108 108 GLY N N 108 109.386 105.078 4.308 1
1 1301 . 15 1 1 A 108 108 GLY H H 108 7.667 7.782 -0.115 1
1 1302 . 15 1 1 A 108 108 GLY CA C 108 47.252 45.080 2.172 1
1 1303 . 15 1 1 A 108 108 GLY HA2 H 108 4.023 4.090 -0.067 1
1 1304 . 15 1 1 A 108 108 GLY HA3 H 108 4.023 4.099 -0.076 1
1 1305 . 15 1 1 A 108 108 GLY C C 108 174.436 174.461 -0.025 1
1 1306 . 15 1 1 A 109 109 VAL N N 109 122.758 121.004 1.754 1
1 1307 . 15 1 1 A 109 109 VAL H H 109 8.480 8.073 0.407 1
1 1308 . 15 1 1 A 109 109 VAL CA C 109 63.788 61.659 2.129 1
1 1309 . 15 1 1 A 109 109 VAL HA H 109 4.094 4.345 -0.251 1
1 1310 . 15 1 1 A 109 109 VAL CB C 109 32.931 30.471 2.460 1
1 1320 . 15 1 1 A 109 109 VAL C C 109 176.089 175.923 0.166 1
1 1321 . 15 1 1 A 110 110 THR N N 110 115.431 123.056 -7.625 1
1 1322 . 15 1 1 A 110 110 THR H H 110 8.995 8.728 0.267 1
1 1323 . 15 1 1 A 110 110 THR CA C 110 62.045 64.025 -1.980 1
1 1324 . 15 1 1 A 110 110 THR HA H 110 4.515 4.370 0.145 1
1 1325 . 15 1 1 A 110 110 THR CB C 110 70.758 69.800 0.958 1
1 1331 . 15 1 1 A 110 110 THR C C 110 173.700 173.914 -0.214 1
1 1332 . 15 1 1 A 111 111 ASP N N 111 123.757 120.284 3.473 1
1 1333 . 15 1 1 A 111 111 ASP H H 111 8.123 7.743 0.380 1
1 1334 . 15 1 1 A 111 111 ASP CA C 111 54.747 53.480 1.267 1
1 1335 . 15 1 1 A 111 111 ASP HA H 111 5.527 5.204 0.323 1
1 1336 . 15 1 1 A 111 111 ASP CB C 111 43.928 42.481 1.447 1
1 1339 . 15 1 1 A 111 111 ASP C C 111 172.807 175.244 -2.437 1
1 1340 . 15 1 1 A 112 112 LEU N N 112 123.145 124.727 -1.582 1
1 1341 . 15 1 1 A 112 112 LEU H H 112 8.671 8.725 -0.054 1
1 1342 . 15 1 1 A 112 112 LEU CA C 112 52.953 53.825 -0.872 1
1 1343 . 15 1 1 A 112 112 LEU HA H 112 5.213 5.133 0.080 1
1 1344 . 15 1 1 A 112 112 LEU CB C 112 47.875 46.646 1.229 1
1 1357 . 15 1 1 A 112 112 LEU C C 112 176.803 174.496 2.307 1
1 1358 . 15 1 1 A 113 113 SER N N 113 122.973 119.197 3.776 1
1 1359 . 15 1 1 A 113 113 SER H H 113 9.473 8.741 0.732 1
1 1360 . 15 1 1 A 113 113 SER CA C 113 59.207 56.845 2.362 1
1 1361 . 15 1 1 A 113 113 SER HA H 113 6.070 5.493 0.577 1
1 1362 . 15 1 1 A 113 113 SER CB C 113 67.023 65.950 1.073 1
1 1365 . 15 1 1 A 113 113 SER C C 113 172.066 172.391 -0.325 1
1 1366 . 15 1 1 A 114 114 MET N N 114 118.476 121.722 -3.246 1
1 1367 . 15 1 1 A 114 114 MET H H 114 9.080 8.814 0.266 1
1 1368 . 15 1 1 A 114 114 MET CA C 114 54.007 53.748 0.259 1
1 1369 . 15 1 1 A 114 114 MET HA H 114 5.435 5.038 0.397 1
1 1370 . 15 1 1 A 114 114 MET CB C 114 34.867 35.803 -0.936 1
1 1380 . 15 1 1 A 114 114 MET C C 114 172.934 173.963 -1.029 1
1 1381 . 15 1 1 A 115 115 PRO CA C 115 62.262 62.273 -0.011 1
1 1382 . 15 1 1 A 115 115 PRO HA H 115 5.593 4.662 0.931 1
1 1383 . 15 1 1 A 115 115 PRO CB C 115 32.748 33.250 -0.502 1
1 1392 . 15 1 1 A 115 115 PRO C C 115 175.547 176.174 -0.627 1
1 1393 . 15 1 1 A 116 116 ARG N N 116 116.821 120.629 -3.808 1
1 1394 . 15 1 1 A 116 116 ARG H H 116 8.348 8.465 -0.117 1
1 1395 . 15 1 1 A 116 116 ARG CA C 116 55.785 56.093 -0.308 1
1 1396 . 15 1 1 A 116 116 ARG HA H 116 3.896 4.132 -0.236 1
1 1397 . 15 1 1 A 116 116 ARG CB C 116 27.344 30.454 -3.110 1
1 1406 . 15 1 1 A 116 116 ARG C C 116 176.796 175.995 0.801 1
1 1407 . 15 1 1 A 117 117 ILE N N 117 122.887 119.904 2.983 1
1 1408 . 15 1 1 A 117 117 ILE H H 117 7.989 8.530 -0.541 1
1 1409 . 15 1 1 A 117 117 ILE CA C 117 63.148 59.365 3.783 1
1 1410 . 15 1 1 A 117 117 ILE HA H 117 4.028 4.920 -0.892 1
1 1411 . 15 1 1 A 117 117 ILE CB C 117 40.010 40.303 -0.293 1
1 1424 . 15 1 1 A 117 117 ILE C C 117 174.324 176.047 -1.723 1
1 1425 . 15 1 1 A 118 118 GLY N N 118 107.320 114.131 -6.811 1
1 1426 . 15 1 1 A 118 118 GLY H H 118 8.662 8.685 -0.023 1
1 1427 . 15 1 1 A 118 118 GLY CA C 118 45.752 46.687 -0.935 1
1 1428 . 15 1 1 A 118 118 GLY HA2 H 118 3.693 4.033 -0.340 1
1 1429 . 15 1 1 A 118 118 GLY HA3 H 118 4.226 4.089 0.137 1
1 1430 . 15 1 1 A 118 118 GLY C C 118 172.861 173.894 -1.033 1
1 1431 . 15 1 1 A 119 119 CYS N N 119 115.336 118.408 -3.072 1
1 1432 . 15 1 1 A 119 119 CYS H H 119 7.445 7.787 -0.342 1
1 1433 . 15 1 1 A 119 119 CYS CA C 119 58.753 58.387 0.366 1
1 1434 . 15 1 1 A 119 119 CYS HA H 119 4.831 4.971 -0.140 1
1 1435 . 15 1 1 A 119 119 CYS CB C 119 28.840 30.574 -1.734 1
1 1438 . 15 1 1 A 121 121 LEU CA C 121 57.692 57.601 0.091 1
1 1439 . 15 1 1 A 121 121 LEU HA H 121 4.152 4.026 0.126 1
1 1440 . 15 1 1 A 121 121 LEU CB C 121 41.644 41.889 -0.245 1
1 1453 . 15 1 1 A 123 123 ARG N N 123 107.909 123.633 -15.724 1
1 1454 . 15 1 1 A 123 123 ARG H H 123 7.536 8.567 -1.031 1
1 1455 . 15 1 1 A 123 123 ARG CA C 123 57.775 59.269 -1.494 1
1 1456 . 15 1 1 A 123 123 ARG HA H 123 3.989 3.992 -0.003 1
1 1457 . 15 1 1 A 123 123 ARG CB C 123 28.219 30.073 -1.854 1
1 1466 . 15 1 1 A 123 123 ARG C C 123 176.088 177.434 -1.346 1
1 1467 . 15 1 1 A 124 124 LEU N N 124 118.876 120.806 -1.930 1
1 1468 . 15 1 1 A 124 124 LEU H H 124 8.401 7.692 0.709 1
1 1469 . 15 1 1 A 124 124 LEU CA C 124 54.573 55.400 -0.827 1
1 1470 . 15 1 1 A 124 124 LEU HA H 124 4.533 4.359 0.174 1
1 1471 . 15 1 1 A 124 124 LEU CB C 124 39.785 42.662 -2.877 1
1 1484 . 15 1 1 A 124 124 LEU C C 124 175.551 175.983 -0.432 1
1 1485 . 15 1 1 A 125 125 GLN N N 125 116.713 118.575 -1.862 1
1 1486 . 15 1 1 A 125 125 GLN H H 125 7.779 8.908 -1.129 1
1 1487 . 15 1 1 A 125 125 GLN CA C 125 54.609 54.371 0.238 1
1 1488 . 15 1 1 A 125 125 GLN HA H 125 4.794 5.132 -0.338 1
1 1489 . 15 1 1 A 125 125 GLN CB C 125 30.327 31.993 -1.666 1
1 1498 . 15 1 1 A 125 125 GLN C C 125 177.722 176.033 1.689 1
1 1499 . 15 1 1 A 126 126 TRP N N 126 128.887 126.040 2.847 1
1 1500 . 15 1 1 A 126 126 TRP H H 126 9.755 8.795 0.960 1
1 1501 . 15 1 1 A 126 126 TRP CA C 126 59.962 61.248 -1.286 1
1 1502 . 15 1 1 A 126 126 TRP HA H 126 4.545 4.270 0.275 1
1 1503 . 15 1 1 A 126 126 TRP CB C 126 30.009 30.262 -0.253 1
1 1518 . 15 1 1 A 126 126 TRP C C 126 177.057 178.073 -1.016 1
1 1519 . 15 1 1 A 127 127 GLU N N 127 119.568 118.595 0.973 1
1 1520 . 15 1 1 A 127 127 GLU H H 127 9.946 8.409 1.537 1
1 1521 . 15 1 1 A 127 127 GLU CA C 127 60.623 59.881 0.742 1
1 1522 . 15 1 1 A 127 127 GLU HA H 127 3.780 3.933 -0.153 1
1 1523 . 15 1 1 A 127 127 GLU CB C 127 28.594 29.142 -0.548 1
1 1529 . 15 1 1 A 127 127 GLU C C 127 177.905 178.939 -1.034 1
1 1530 . 15 1 1 A 128 128 ASN N N 128 115.229 117.264 -2.035 1
1 1531 . 15 1 1 A 128 128 ASN H H 128 7.159 7.728 -0.569 1
1 1532 . 15 1 1 A 128 128 ASN CA C 128 55.370 55.488 -0.118 1
1 1533 . 15 1 1 A 128 128 ASN HA H 128 4.446 4.490 -0.044 1
1 1534 . 15 1 1 A 128 128 ASN CB C 128 38.522 38.467 0.055 1
1 1540 . 15 1 1 A 128 128 ASN C C 128 177.374 177.550 -0.176 1
1 1541 . 15 1 1 A 129 129 VAL N N 129 122.487 119.928 2.559 1
1 1542 . 15 1 1 A 129 129 VAL H H 129 8.033 7.818 0.215 1
1 1543 . 15 1 1 A 129 129 VAL CA C 129 67.289 66.709 0.580 1
1 1544 . 15 1 1 A 129 129 VAL HA H 129 3.489 3.529 -0.040 1
1 1545 . 15 1 1 A 129 129 VAL CB C 129 31.824 31.520 0.304 1
1 1555 . 15 1 1 A 129 129 VAL C C 129 177.209 177.646 -0.437 1
1 1556 . 15 1 1 A 130 130 SER N N 130 115.189 114.330 0.859 1
1 1557 . 15 1 1 A 130 130 SER H H 130 8.550 7.811 0.739 1
1 1558 . 15 1 1 A 130 130 SER CA C 130 61.477 60.755 0.722 1
1 1559 . 15 1 1 A 130 130 SER HA H 130 3.151 3.544 -0.393 1
1 1560 . 15 1 1 A 130 130 SER CB C 130 61.348 62.034 -0.686 1
1 1563 . 15 1 1 A 130 130 SER C C 130 175.971 176.541 -0.570 1
1 1564 . 15 1 1 A 131 131 ALA N N 131 123.596 123.977 -0.381 1
1 1565 . 15 1 1 A 131 131 ALA H H 131 6.551 7.670 -1.119 1
1 1566 . 15 1 1 A 131 131 ALA CA C 131 54.947 55.057 -0.110 1
1 1567 . 15 1 1 A 131 131 ALA HA H 131 4.079 3.910 0.169 1
1 1568 . 15 1 1 A 131 131 ALA CB C 131 18.023 18.158 -0.135 1
1 1572 . 15 1 1 A 131 131 ALA C C 131 179.947 179.857 0.090 1
1 1573 . 15 1 1 A 132 132 MET N N 132 119.410 116.515 2.895 1
1 1574 . 15 1 1 A 132 132 MET H H 132 7.442 7.997 -0.555 1
1 1575 . 15 1 1 A 132 132 MET CA C 132 58.917 58.234 0.683 1
1 1576 . 15 1 1 A 132 132 MET HA H 132 4.118 4.078 0.040 1
1 1577 . 15 1 1 A 132 132 MET CB C 132 33.984 32.310 1.674 1
1 1587 . 15 1 1 A 132 132 MET C C 132 178.019 179.083 -1.064 1
1 1588 . 15 1 1 A 133 133 ILE N N 133 120.265 120.428 -0.163 1
1 1589 . 15 1 1 A 133 133 ILE H H 133 8.554 7.556 0.998 1
1 1590 . 15 1 1 A 133 133 ILE CA C 133 66.859 64.662 2.197 1
1 1591 . 15 1 1 A 133 133 ILE HA H 133 3.470 3.929 -0.459 1
1 1592 . 15 1 1 A 133 133 ILE CB C 133 38.240 36.505 1.735 1
1 1605 . 15 1 1 A 133 133 ILE C C 133 177.949 178.164 -0.215 1
1 1606 . 15 1 1 A 134 134 GLU N N 134 117.011 121.442 -4.431 1
1 1607 . 15 1 1 A 134 134 GLU H H 134 8.106 8.396 -0.290 1
1 1608 . 15 1 1 A 134 134 GLU CA C 134 59.844 59.635 0.209 1
1 1609 . 15 1 1 A 134 134 GLU HA H 134 3.919 4.098 -0.179 1
1 1610 . 15 1 1 A 134 134 GLU CB C 134 29.024 29.581 -0.557 1
1 1616 . 15 1 1 A 134 134 GLU C C 134 178.982 179.379 -0.397 1
1 1617 . 15 1 1 A 135 135 GLU N N 135 118.619 118.975 -0.356 1
1 1618 . 15 1 1 A 135 135 GLU H H 135 7.848 8.464 -0.616 1
1 1619 . 15 1 1 A 135 135 GLU CA C 135 59.438 59.310 0.128 1
1 1620 . 15 1 1 A 135 135 GLU HA H 135 4.090 4.106 -0.016 1
1 1621 . 15 1 1 A 135 135 GLU CB C 135 29.948 28.941 1.007 1
1 1627 . 15 1 1 A 135 135 GLU C C 135 179.547 178.812 0.735 1
1 1628 . 15 1 1 A 136 136 VAL N N 136 119.915 121.029 -1.114 1
1 1629 . 15 1 1 A 136 136 VAL H H 136 8.793 7.549 1.244 1
1 1630 . 15 1 1 A 136 136 VAL CA C 136 66.122 65.970 0.152 1
1 1631 . 15 1 1 A 136 136 VAL HA H 136 3.578 3.697 -0.119 1
1 1632 . 15 1 1 A 136 136 VAL CB C 136 31.990 31.971 0.019 1
1 1642 . 15 1 1 A 136 136 VAL C C 136 177.646 177.261 0.385 1
1 1643 . 15 1 1 A 137 137 PHE N N 137 111.913 117.086 -5.173 1
1 1644 . 15 1 1 A 137 137 PHE H H 137 8.009 7.748 0.261 1
1 1645 . 15 1 1 A 137 137 PHE CA C 137 59.545 58.677 0.868 1
1 1646 . 15 1 1 A 137 137 PHE HA H 137 4.197 4.498 -0.301 1
1 1647 . 15 1 1 A 137 137 PHE CB C 137 38.105 39.007 -0.902 1
1 1660 . 15 1 1 A 138 138 GLU N N 138 123.997 119.255 4.742 1
1 1661 . 15 1 1 A 138 138 GLU H H 138 7.268 8.318 -1.050 1
1 1662 . 15 1 1 A 138 138 GLU CA C 138 59.222 58.769 0.453 1
1 1663 . 15 1 1 A 138 138 GLU HA H 138 4.161 4.147 0.014 1
1 1664 . 15 1 1 A 138 138 GLU CB C 138 29.644 28.992 0.652 1
1 1670 . 15 1 1 A 139 139 ALA N N 139 121.713 121.097 0.616 1
1 1671 . 15 1 1 A 139 139 ALA H H 139 8.830 7.744 1.086 1
1 1672 . 15 1 1 A 139 139 ALA CA C 139 52.894 50.863 2.031 1
1 1673 . 15 1 1 A 139 139 ALA HA H 139 4.334 4.447 -0.113 1
1 1674 . 15 1 1 A 139 139 ALA CB C 139 17.362 19.085 -1.723 1
1 1678 . 15 1 1 A 139 139 ALA C C 139 176.943 175.991 0.952 1
1 1679 . 15 1 1 A 140 140 THR N N 140 107.901 109.517 -1.616 1
1 1680 . 15 1 1 A 140 140 THR H H 140 7.809 7.700 0.109 1
1 1681 . 15 1 1 A 140 140 THR CA C 140 61.013 59.901 1.112 1
1 1682 . 15 1 1 A 140 140 THR HA H 140 4.164 4.881 -0.717 1
1 1683 . 15 1 1 A 140 140 THR CB C 140 72.698 72.358 0.340 1
1 1689 . 15 1 1 A 140 140 THR C C 140 174.222 173.727 0.495 1
1 1690 . 15 1 1 A 141 141 ASP N N 141 120.212 119.279 0.933 1
1 1691 . 15 1 1 A 141 141 ASP H H 141 8.959 8.649 0.310 1
1 1692 . 15 1 1 A 141 141 ASP CA C 141 53.333 53.252 0.081 1
1 1693 . 15 1 1 A 141 141 ASP HA H 141 4.991 4.935 0.056 1
1 1694 . 15 1 1 A 141 141 ASP CB C 141 40.660 40.524 0.136 1
1 1697 . 15 1 1 A 141 141 ASP C C 141 175.403 175.598 -0.195 1
1 1698 . 15 1 1 A 142 142 ILE N N 142 120.815 120.399 0.416 1
1 1699 . 15 1 1 A 142 142 ILE H H 142 7.444 7.582 -0.138 1
1 1700 . 15 1 1 A 142 142 ILE CA C 142 62.338 59.799 2.539 1
1 1701 . 15 1 1 A 142 142 ILE HA H 142 4.131 4.862 -0.731 1
1 1702 . 15 1 1 A 142 142 ILE CB C 142 38.703 41.277 -2.574 1
1 1715 . 15 1 1 A 142 142 ILE C C 142 175.399 174.508 0.891 1
1 1716 . 15 1 1 A 143 143 LYS N N 143 129.106 126.293 2.813 1
1 1717 . 15 1 1 A 143 143 LYS H H 143 8.588 9.272 -0.684 1
1 1718 . 15 1 1 A 143 143 LYS CA C 143 55.725 54.661 1.064 1
1 1719 . 15 1 1 A 143 143 LYS HA H 143 4.444 4.956 -0.512 1
1 1720 . 15 1 1 A 143 143 LYS CB C 143 33.768 35.296 -1.528 1
1 1732 . 15 1 1 A 143 143 LYS C C 143 174.820 175.331 -0.511 1
1 1733 . 15 1 1 A 144 144 ILE N N 144 122.496 123.195 -0.699 1
1 1734 . 15 1 1 A 144 144 ILE H H 144 7.884 8.314 -0.430 1
1 1735 . 15 1 1 A 144 144 ILE CA C 144 59.861 59.698 0.163 1
1 1736 . 15 1 1 A 144 144 ILE HA H 144 4.937 5.314 -0.377 1
1 1737 . 15 1 1 A 144 144 ILE CB C 144 40.518 40.926 -0.408 1
1 1750 . 15 1 1 A 144 144 ILE C C 144 175.232 174.962 0.270 1
1 1751 . 15 1 1 A 145 145 THR N N 145 126.667 123.304 3.363 1
1 1752 . 15 1 1 A 145 145 THR H H 145 9.100 8.742 0.358 1
1 1753 . 15 1 1 A 145 145 THR CA C 145 61.374 61.729 -0.355 1
1 1754 . 15 1 1 A 145 145 THR HA H 145 4.992 5.114 -0.122 1
1 1755 . 15 1 1 A 145 145 THR CB C 145 68.907 71.117 -2.210 1
1 1761 . 15 1 1 A 145 145 THR C C 145 173.158 173.421 -0.263 1
1 1762 . 15 1 1 A 146 146 VAL N N 146 127.717 127.480 0.237 1
1 1763 . 15 1 1 A 146 146 VAL H H 146 8.818 9.140 -0.322 1
1 1764 . 15 1 1 A 146 146 VAL CA C 146 59.930 61.415 -1.485 1
1 1765 . 15 1 1 A 146 146 VAL HA H 146 5.053 4.956 0.097 1
1 1766 . 15 1 1 A 146 146 VAL CB C 146 32.906 32.296 0.610 1
1 1776 . 15 1 1 A 146 146 VAL C C 146 175.653 174.978 0.675 1
1 1777 . 15 1 1 A 147 147 TYR N N 147 129.304 127.810 1.494 1
1 1778 . 15 1 1 A 147 147 TYR H H 147 8.926 9.142 -0.216 1
1 1779 . 15 1 1 A 147 147 TYR CA C 147 57.290 57.675 -0.385 1
1 1780 . 15 1 1 A 147 147 TYR HA H 147 5.283 5.169 0.114 1
1 1781 . 15 1 1 A 147 147 TYR CB C 147 40.422 38.775 1.647 1
1 1792 . 15 1 1 A 147 147 TYR C C 147 177.250 175.339 1.911 1
1 1793 . 15 1 1 A 148 148 THR N N 148 116.883 115.773 1.110 1
1 1794 . 15 1 1 A 148 148 THR H H 148 8.607 9.371 -0.764 1
1 1795 . 15 1 1 A 148 148 THR CA C 148 61.560 60.658 0.902 1
1 1796 . 15 1 1 A 148 148 THR HA H 148 4.431 5.226 -0.795 1
1 1797 . 15 1 1 A 148 148 THR CB C 148 70.966 70.341 0.625 1
1 1803 . 15 1 1 A 148 148 THR C C 148 172.797 173.852 -1.055 1
1 1 . 16 1 1 A 5 5 SER CA C 5 58.376 58.287 0.089 1
1 2 . 16 1 1 A 5 5 SER HA H 5 4.528 4.597 -0.069 1
1 3 . 16 1 1 A 5 5 SER CB C 5 63.813 64.880 -1.067 1
1 5 . 16 1 1 A 5 5 SER C C 5 174.968 173.773 1.195 1
1 6 . 16 1 1 A 6 6 SER N N 6 117.996 116.925 1.071 1
1 7 . 16 1 1 A 6 6 SER H H 6 8.503 8.855 -0.352 1
1 8 . 16 1 1 A 6 6 SER CA C 6 58.642 59.303 -0.661 1
1 9 . 16 1 1 A 6 6 SER HA H 6 4.526 4.675 -0.149 1
1 10 . 16 1 1 A 6 6 SER CB C 6 63.855 65.397 -1.542 1
1 13 . 16 1 1 A 6 6 SER C C 6 175.129 175.409 -0.280 1
1 14 . 16 1 1 A 7 7 GLY N N 7 110.904 105.186 5.718 1
1 15 . 16 1 1 A 7 7 GLY H H 7 8.470 7.623 0.847 1
1 16 . 16 1 1 A 7 7 GLY CA C 7 45.430 45.812 -0.382 1
1 17 . 16 1 1 A 7 7 GLY HA2 H 7 4.030 4.142 -0.112 1
1 18 . 16 1 1 A 7 7 GLY HA3 H 7 4.030 4.157 -0.127 1
1 19 . 16 1 1 A 7 7 GLY C C 7 174.606 173.740 0.866 1
1 20 . 16 1 1 A 8 8 GLY N N 8 108.942 108.381 0.561 1
1 21 . 16 1 1 A 8 8 GLY H H 8 8.286 7.628 0.658 1
1 22 . 16 1 1 A 8 8 GLY CA C 8 45.058 45.958 -0.900 1
1 23 . 16 1 1 A 8 8 GLY HA2 H 8 4.027 4.163 -0.136 1
1 24 . 16 1 1 A 8 8 GLY HA3 H 8 4.199 4.221 -0.022 1
1 25 . 16 1 1 A 8 8 GLY C C 8 173.943 174.602 -0.659 1
1 26 . 16 1 1 A 9 9 SER N N 9 115.435 118.884 -3.449 1
1 27 . 16 1 1 A 9 9 SER H H 9 8.275 9.585 -1.310 1
1 28 . 16 1 1 A 9 9 SER CA C 9 57.847 61.852 -4.005 1
1 29 . 16 1 1 A 9 9 SER HA H 9 4.616 4.114 0.502 1
1 30 . 16 1 1 A 9 9 SER CB C 9 64.102 62.951 1.151 1
1 33 . 16 1 1 A 9 9 SER C C 9 174.962 176.122 -1.160 1
1 34 . 16 1 1 A 10 10 ARG N N 10 126.156 117.877 8.279 1
1 35 . 16 1 1 A 10 10 ARG H H 10 9.427 7.713 1.714 1
1 36 . 16 1 1 A 10 10 ARG CA C 10 56.662 55.957 0.705 1
1 37 . 16 1 1 A 10 10 ARG HA H 10 4.332 4.376 -0.044 1
1 38 . 16 1 1 A 10 10 ARG CB C 10 30.289 31.416 -1.127 1
1 49 . 16 1 1 A 10 10 ARG C C 10 175.504 176.304 -0.800 1
1 50 . 16 1 1 A 11 11 ILE N N 11 119.127 121.656 -2.529 1
1 51 . 16 1 1 A 11 11 ILE H H 11 8.176 7.180 0.996 1
1 52 . 16 1 1 A 11 11 ILE CA C 11 61.153 62.096 -0.943 1
1 53 . 16 1 1 A 11 11 ILE HA H 11 4.553 3.794 0.759 1
1 54 . 16 1 1 A 11 11 ILE CB C 11 39.949 37.601 2.348 1
1 67 . 16 1 1 A 11 11 ILE C C 11 176.134 175.289 0.845 1
1 68 . 16 1 1 A 12 12 THR N N 12 124.682 122.581 2.101 1
1 69 . 16 1 1 A 12 12 THR H H 12 8.534 8.080 0.454 1
1 70 . 16 1 1 A 12 12 THR CA C 12 61.630 61.241 0.389 1
1 71 . 16 1 1 A 12 12 THR HA H 12 4.359 4.868 -0.509 1
1 72 . 16 1 1 A 12 12 THR CB C 12 70.705 70.502 0.203 1
1 78 . 16 1 1 A 12 12 THR C C 12 171.804 173.231 -1.427 1
1 79 . 16 1 1 A 13 13 TYR N N 13 124.043 126.223 -2.180 1
1 80 . 16 1 1 A 13 13 TYR H H 13 8.691 9.018 -0.327 1
1 81 . 16 1 1 A 13 13 TYR CA C 13 57.846 57.109 0.737 1
1 82 . 16 1 1 A 13 13 TYR HA H 13 5.099 5.176 -0.077 1
1 83 . 16 1 1 A 13 13 TYR CB C 13 39.895 40.133 -0.238 1
1 94 . 16 1 1 A 13 13 TYR C C 13 175.924 175.161 0.763 1
1 95 . 16 1 1 A 14 14 VAL N N 14 124.012 122.691 1.321 1
1 96 . 16 1 1 A 14 14 VAL H H 14 8.633 9.212 -0.579 1
1 97 . 16 1 1 A 14 14 VAL CA C 14 60.958 60.215 0.743 1
1 98 . 16 1 1 A 14 14 VAL HA H 14 4.015 4.792 -0.777 1
1 99 . 16 1 1 A 14 14 VAL CB C 14 35.416 35.010 0.406 1
1 109 . 16 1 1 A 14 14 VAL C C 14 173.974 173.906 0.068 1
1 110 . 16 1 1 A 15 15 LYS N N 15 127.960 126.257 1.703 1
1 111 . 16 1 1 A 15 15 LYS H H 15 8.318 8.784 -0.466 1
1 112 . 16 1 1 A 15 15 LYS CA C 15 54.152 54.823 -0.671 1
1 113 . 16 1 1 A 15 15 LYS HA H 15 5.126 5.076 0.050 1
1 114 . 16 1 1 A 15 15 LYS CB C 15 32.086 34.158 -2.072 1
1 126 . 16 1 1 A 15 15 LYS C C 15 176.050 175.321 0.729 1
1 127 . 16 1 1 A 16 16 GLY N N 16 114.545 112.860 1.685 1
1 128 . 16 1 1 A 16 16 GLY H H 16 8.508 8.249 0.259 1
1 129 . 16 1 1 A 16 16 GLY CA C 16 45.006 44.377 0.629 1
1 130 . 16 1 1 A 16 16 GLY HA2 H 16 4.028 4.096 -0.068 1
1 131 . 16 1 1 A 16 16 GLY HA3 H 16 4.197 4.121 0.076 1
1 132 . 16 1 1 A 16 16 GLY C C 16 170.957 172.577 -1.620 1
1 133 . 16 1 1 A 17 17 ASP N N 17 119.423 122.201 -2.778 1
1 134 . 16 1 1 A 17 17 ASP H H 17 8.271 8.648 -0.377 1
1 135 . 16 1 1 A 17 17 ASP CA C 17 53.164 54.899 -1.735 1
1 136 . 16 1 1 A 17 17 ASP HA H 17 4.407 4.406 0.001 1
1 137 . 16 1 1 A 17 17 ASP CB C 17 41.912 41.605 0.307 1
1 140 . 16 1 1 A 17 17 ASP C C 17 176.089 175.839 0.250 1
1 141 . 16 1 1 A 18 18 LEU N N 18 130.056 123.965 6.091 1
1 142 . 16 1 1 A 18 18 LEU H H 18 8.304 8.479 -0.175 1
1 143 . 16 1 1 A 18 18 LEU CA C 18 57.156 55.421 1.735 1
1 144 . 16 1 1 A 18 18 LEU HA H 18 2.425 3.955 -1.530 1
1 145 . 16 1 1 A 18 18 LEU CB C 18 42.959 44.532 -1.573 1
1 158 . 16 1 1 A 18 18 LEU C C 18 175.737 177.907 -2.170 1
1 159 . 16 1 1 A 19 19 PHE N N 19 109.678 116.800 -7.122 1
1 160 . 16 1 1 A 19 19 PHE H H 19 7.461 7.382 0.079 1
1 161 . 16 1 1 A 19 19 PHE CA C 19 59.844 59.545 0.299 1
1 162 . 16 1 1 A 19 19 PHE HA H 19 3.920 4.412 -0.492 1
1 163 . 16 1 1 A 19 19 PHE CB C 19 36.735 40.406 -3.671 1
1 176 . 16 1 1 A 19 19 PHE C C 19 175.833 176.982 -1.149 1
1 177 . 16 1 1 A 20 20 ALA N N 20 123.506 121.983 1.523 1
1 178 . 16 1 1 A 20 20 ALA H H 20 7.752 7.738 0.014 1
1 179 . 16 1 1 A 20 20 ALA CA C 20 51.160 52.974 -1.814 1
1 180 . 16 1 1 A 20 20 ALA HA H 20 4.518 4.262 0.256 1
1 181 . 16 1 1 A 20 20 ALA CB C 20 18.395 19.059 -0.664 1
1 185 . 16 1 1 A 20 20 ALA C C 20 176.772 179.686 -2.914 1
1 186 . 16 1 1 A 21 21 CYS N N 21 118.823 116.080 2.743 1
1 187 . 16 1 1 A 21 21 CYS H H 21 7.225 7.571 -0.346 1
1 188 . 16 1 1 A 21 21 CYS CA C 21 56.813 63.595 -6.782 1
1 189 . 16 1 1 A 21 21 CYS HA H 21 4.580 4.178 0.402 1
1 190 . 16 1 1 A 21 21 CYS CB C 21 25.916 27.302 -1.386 1
1 193 . 16 1 1 A 21 21 CYS C C 21 170.919 175.066 -4.147 1
1 194 . 16 1 1 A 22 22 PRO CA C 22 64.000 62.564 1.436 1
1 195 . 16 1 1 A 22 22 PRO HA H 22 4.373 4.474 -0.101 1
1 196 . 16 1 1 A 22 22 PRO CB C 22 31.802 33.397 -1.595 1
1 205 . 16 1 1 A 22 22 PRO C C 22 178.609 176.106 2.503 1
1 206 . 16 1 1 A 23 23 LYS N N 23 122.870 120.345 2.525 1
1 207 . 16 1 1 A 23 23 LYS H H 23 8.785 8.779 0.006 1
1 208 . 16 1 1 A 23 23 LYS CA C 23 58.671 56.929 1.742 1
1 209 . 16 1 1 A 23 23 LYS HA H 23 4.103 4.469 -0.366 1
1 210 . 16 1 1 A 23 23 LYS CB C 23 32.078 35.562 -3.484 1
1 222 . 16 1 1 A 23 23 LYS C C 23 175.722 177.596 -1.874 1
1 223 . 16 1 1 A 24 24 THR N N 24 102.744 106.238 -3.494 1
1 224 . 16 1 1 A 24 24 THR H H 24 7.097 7.608 -0.511 1
1 225 . 16 1 1 A 24 24 THR CA C 24 61.064 61.774 -0.710 1
1 226 . 16 1 1 A 24 24 THR HA H 24 4.166 4.587 -0.421 1
1 227 . 16 1 1 A 24 24 THR CB C 24 68.805 70.580 -1.775 1
1 233 . 16 1 1 A 24 24 THR C C 24 176.216 174.676 1.540 1
1 234 . 16 1 1 A 25 25 ASP N N 25 125.303 123.985 1.318 1
1 235 . 16 1 1 A 25 25 ASP H H 25 7.768 7.754 0.014 1
1 236 . 16 1 1 A 25 25 ASP CA C 25 55.246 55.062 0.184 1
1 237 . 16 1 1 A 25 25 ASP HA H 25 4.536 4.727 -0.191 1
1 238 . 16 1 1 A 25 25 ASP CB C 25 40.321 41.302 -0.981 1
1 241 . 16 1 1 A 25 25 ASP C C 25 177.718 175.760 1.958 1
1 242 . 16 1 1 A 26 26 SER N N 26 118.303 118.410 -0.107 1
1 243 . 16 1 1 A 26 26 SER H H 26 8.472 8.204 0.268 1
1 244 . 16 1 1 A 26 26 SER CA C 26 61.547 57.755 3.792 1
1 245 . 16 1 1 A 26 26 SER HA H 26 5.138 4.886 0.252 1
1 246 . 16 1 1 A 26 26 SER CB C 26 65.326 65.504 -0.178 1
1 249 . 16 1 1 A 26 26 SER C C 26 172.446 173.563 -1.117 1
1 250 . 16 1 1 A 27 27 LEU N N 27 121.957 122.376 -0.419 1
1 251 . 16 1 1 A 27 27 LEU H H 27 8.553 8.326 0.227 1
1 252 . 16 1 1 A 27 27 LEU CA C 27 53.919 54.122 -0.203 1
1 253 . 16 1 1 A 27 27 LEU HA H 27 6.004 5.746 0.258 1
1 254 . 16 1 1 A 27 27 LEU CB C 27 48.728 44.507 4.221 1
1 267 . 16 1 1 A 27 27 LEU C C 27 176.071 175.638 0.433 1
1 268 . 16 1 1 A 28 28 ALA N N 28 119.120 124.526 -5.406 1
1 269 . 16 1 1 A 28 28 ALA H H 28 8.083 8.658 -0.575 1
1 270 . 16 1 1 A 28 28 ALA CA C 28 50.738 50.790 -0.052 1
1 271 . 16 1 1 A 28 28 ALA HA H 28 5.833 5.475 0.358 1
1 272 . 16 1 1 A 28 28 ALA CB C 28 24.493 22.885 1.608 1
1 276 . 16 1 1 A 28 28 ALA C C 28 174.396 175.585 -1.189 1
1 277 . 16 1 1 A 29 29 HIS N N 29 111.296 120.465 -9.169 1
1 278 . 16 1 1 A 29 29 HIS H H 29 8.042 8.110 -0.068 1
1 279 . 16 1 1 A 29 29 HIS CA C 29 55.617 55.752 -0.135 1
1 280 . 16 1 1 A 29 29 HIS HA H 29 4.552 4.821 -0.269 1
1 281 . 16 1 1 A 29 29 HIS CB C 29 31.644 31.891 -0.247 1
1 288 . 16 1 1 A 29 29 HIS C C 29 172.453 172.451 0.002 1
1 289 . 16 1 1 A 30 30 CYS N N 30 115.842 121.809 -5.967 1
1 290 . 16 1 1 A 30 30 CYS H H 30 8.182 7.697 0.485 1
1 291 . 16 1 1 A 30 30 CYS CA C 30 57.610 56.774 0.836 1
1 292 . 16 1 1 A 30 30 CYS HA H 30 5.489 5.489 0.000 1
1 293 . 16 1 1 A 30 30 CYS CB C 30 30.518 30.397 0.121 1
1 296 . 16 1 1 A 30 30 CYS C C 30 175.085 174.170 0.915 1
1 297 . 16 1 1 A 31 31 ILE N N 31 117.447 122.047 -4.600 1
1 298 . 16 1 1 A 31 31 ILE H H 31 9.209 8.985 0.224 1
1 299 . 16 1 1 A 31 31 ILE CA C 31 60.057 58.897 1.160 1
1 300 . 16 1 1 A 31 31 ILE HA H 31 4.816 5.054 -0.238 1
1 301 . 16 1 1 A 31 31 ILE CB C 31 43.206 42.536 0.670 1
1 314 . 16 1 1 A 31 31 ILE C C 31 173.249 174.652 -1.403 1
1 315 . 16 1 1 A 32 32 SER N N 32 111.596 118.683 -7.087 1
1 316 . 16 1 1 A 32 32 SER H H 32 7.858 8.761 -0.903 1
1 317 . 16 1 1 A 32 32 SER CA C 32 55.599 57.476 -1.877 1
1 318 . 16 1 1 A 32 32 SER HA H 32 5.139 4.712 0.427 1
1 319 . 16 1 1 A 32 32 SER CB C 32 66.377 64.884 1.493 1
1 322 . 16 1 1 A 32 32 SER C C 32 176.120 175.822 0.298 1
1 323 . 16 1 1 A 33 33 GLU N N 33 118.525 124.222 -5.697 1
1 324 . 16 1 1 A 33 33 GLU H H 33 8.189 9.063 -0.874 1
1 325 . 16 1 1 A 33 33 GLU CA C 33 59.273 60.105 -0.832 1
1 326 . 16 1 1 A 33 33 GLU HA H 33 3.759 3.993 -0.234 1
1 327 . 16 1 1 A 33 33 GLU CB C 33 30.553 29.377 1.176 1
1 333 . 16 1 1 A 33 33 GLU C C 33 177.446 177.876 -0.430 1
1 334 . 16 1 1 A 34 34 ASP N N 34 113.498 119.791 -6.293 1
1 335 . 16 1 1 A 34 34 ASP H H 34 7.480 7.460 0.020 1
1 336 . 16 1 1 A 34 34 ASP CA C 34 54.511 57.247 -2.736 1
1 337 . 16 1 1 A 34 34 ASP HA H 34 4.342 4.343 -0.001 1
1 338 . 16 1 1 A 34 34 ASP CB C 34 40.374 40.339 0.035 1
1 341 . 16 1 1 A 34 34 ASP C C 34 175.854 176.108 -0.254 1
1 342 . 16 1 1 A 35 35 CYS N N 35 111.837 117.279 -5.442 1
1 343 . 16 1 1 A 35 35 CYS H H 35 8.327 8.269 0.058 1
1 344 . 16 1 1 A 35 35 CYS CA C 35 61.093 60.416 0.677 1
1 345 . 16 1 1 A 35 35 CYS HA H 35 3.772 4.123 -0.351 1
1 346 . 16 1 1 A 35 35 CYS CB C 35 25.679 25.994 -0.315 1
1 349 . 16 1 1 A 35 35 CYS C C 35 173.370 174.187 -0.817 1
1 350 . 16 1 1 A 36 36 ARG N N 36 117.440 119.125 -1.685 1
1 351 . 16 1 1 A 36 36 ARG H H 36 7.473 7.872 -0.399 1
1 352 . 16 1 1 A 36 36 ARG CA C 36 57.988 54.282 3.706 1
1 353 . 16 1 1 A 36 36 ARG HA H 36 3.981 4.598 -0.617 1
1 354 . 16 1 1 A 36 36 ARG CB C 36 30.430 30.125 0.305 1
1 363 . 16 1 1 A 36 36 ARG C C 36 177.233 174.976 2.257 1
1 364 . 16 1 1 A 37 37 MET CA C 37 56.118 57.138 -1.020 1
1 365 . 16 1 1 A 37 37 MET HA H 37 4.036 4.214 -0.178 1
1 373 . 16 1 1 A 38 38 GLY H H 38 8.192 8.539 -0.347 1
1 374 . 16 1 1 A 38 38 GLY CA C 38 45.670 45.193 0.477 1
1 375 . 16 1 1 A 38 38 GLY HA2 H 38 4.220 4.162 0.058 1
1 376 . 16 1 1 A 38 38 GLY HA3 H 38 3.595 4.170 -0.575 1
1 377 . 16 1 1 A 38 38 GLY C C 38 173.799 173.502 0.297 1
1 378 . 16 1 1 A 39 39 ALA N N 39 122.002 120.669 1.333 1
1 379 . 16 1 1 A 39 39 ALA H H 39 7.697 7.625 0.072 1
1 380 . 16 1 1 A 39 39 ALA CA C 39 51.019 51.757 -0.738 1
1 381 . 16 1 1 A 39 39 ALA HA H 39 4.678 4.633 0.045 1
1 382 . 16 1 1 A 39 39 ALA CB C 39 22.608 22.097 0.511 1
1 386 . 16 1 1 A 39 39 ALA C C 39 176.769 177.309 -0.540 1
1 387 . 16 1 1 A 40 40 GLY N N 40 107.149 113.387 -6.238 1
1 388 . 16 1 1 A 40 40 GLY H H 40 8.731 8.989 -0.258 1
1 389 . 16 1 1 A 40 40 GLY CA C 40 45.768 46.224 -0.456 1
1 390 . 16 1 1 A 40 40 GLY HA2 H 40 3.957 3.971 -0.014 1
1 391 . 16 1 1 A 40 40 GLY HA3 H 40 4.220 3.981 0.239 1
1 392 . 16 1 1 A 40 40 GLY C C 40 176.747 175.260 1.487 1
1 393 . 16 1 1 A 41 41 ILE CA C 41 63.397 63.362 0.035 1
1 394 . 16 1 1 A 41 41 ILE HA H 41 4.312 4.023 0.289 1
1 395 . 16 1 1 A 41 41 ILE CB C 41 38.794 37.829 0.965 1
1 408 . 16 1 1 A 41 41 ILE C C 41 177.249 178.053 -0.804 1
1 409 . 16 1 1 A 42 42 ALA N N 42 124.835 123.021 1.814 1
1 410 . 16 1 1 A 42 42 ALA H H 42 8.629 8.278 0.351 1
1 411 . 16 1 1 A 42 42 ALA CA C 42 55.599 54.701 0.898 1
1 412 . 16 1 1 A 42 42 ALA HA H 42 4.377 4.015 0.362 1
1 413 . 16 1 1 A 42 42 ALA CB C 42 18.155 18.468 -0.313 1
1 417 . 16 1 1 A 42 42 ALA C C 42 179.079 180.308 -1.229 1
1 418 . 16 1 1 A 43 43 VAL N N 43 116.015 118.701 -2.686 1
1 419 . 16 1 1 A 43 43 VAL H H 43 7.363 7.827 -0.464 1
1 420 . 16 1 1 A 43 43 VAL CA C 43 65.623 66.983 -1.360 1
1 421 . 16 1 1 A 43 43 VAL HA H 43 3.822 3.685 0.137 1
1 422 . 16 1 1 A 43 43 VAL CB C 43 32.408 31.787 0.621 1
1 432 . 16 1 1 A 43 43 VAL C C 43 178.285 178.307 -0.022 1
1 433 . 16 1 1 A 44 44 LEU N N 44 119.736 119.287 0.449 1
1 434 . 16 1 1 A 44 44 LEU H H 44 7.357 7.984 -0.627 1
1 435 . 16 1 1 A 44 44 LEU CA C 44 57.460 58.008 -0.548 1
1 436 . 16 1 1 A 44 44 LEU HA H 44 3.968 3.902 0.066 1
1 437 . 16 1 1 A 44 44 LEU CB C 44 41.234 41.531 -0.297 1
1 450 . 16 1 1 A 44 44 LEU C C 44 179.972 179.375 0.597 1
1 451 . 16 1 1 A 45 45 PHE N N 45 118.434 118.018 0.416 1
1 452 . 16 1 1 A 45 45 PHE H H 45 7.733 8.031 -0.298 1
1 453 . 16 1 1 A 45 45 PHE CA C 45 63.151 61.250 1.901 1
1 454 . 16 1 1 A 45 45 PHE HA H 45 4.009 4.240 -0.231 1
1 455 . 16 1 1 A 45 45 PHE CB C 45 39.883 38.804 1.079 1
1 468 . 16 1 1 A 45 45 PHE C C 45 180.448 179.138 1.310 1
1 469 . 16 1 1 A 46 46 LYS N N 46 124.749 117.494 7.255 1
1 470 . 16 1 1 A 46 46 LYS H H 46 8.819 8.637 0.182 1
1 471 . 16 1 1 A 46 46 LYS CA C 46 60.958 58.319 2.639 1
1 472 . 16 1 1 A 46 46 LYS HA H 46 4.160 4.200 -0.040 1
1 473 . 16 1 1 A 46 46 LYS CB C 46 31.930 31.317 0.613 1
1 485 . 16 1 1 A 46 46 LYS C C 46 179.139 178.343 0.796 1
1 486 . 16 1 1 A 47 47 LYS N N 47 119.317 118.631 0.686 1
1 487 . 16 1 1 A 47 47 LYS H H 47 8.154 7.385 0.769 1
1 488 . 16 1 1 A 47 47 LYS CA C 47 59.331 57.918 1.413 1
1 489 . 16 1 1 A 47 47 LYS HA H 47 3.939 4.223 -0.284 1
1 490 . 16 1 1 A 47 47 LYS CB C 47 33.065 33.166 -0.101 1
1 502 . 16 1 1 A 47 47 LYS C C 47 178.108 178.967 -0.859 1
1 503 . 16 1 1 A 48 48 LYS N N 48 116.005 119.548 -3.543 1
1 504 . 16 1 1 A 48 48 LYS H H 48 7.976 7.900 0.076 1
1 505 . 16 1 1 A 48 48 LYS CA C 48 58.650 58.535 0.115 1
1 506 . 16 1 1 A 48 48 LYS HA H 48 3.684 3.754 -0.070 1
1 507 . 16 1 1 A 48 48 LYS CB C 48 32.372 32.013 0.359 1
1 519 . 16 1 1 A 48 48 LYS C C 48 178.213 177.990 0.223 1
1 520 . 16 1 1 A 49 49 PHE N N 49 112.629 114.026 -1.397 1
1 521 . 16 1 1 A 49 49 PHE H H 49 7.658 7.881 -0.223 1
1 522 . 16 1 1 A 49 49 PHE CA C 49 56.958 59.485 -2.527 1
1 523 . 16 1 1 A 49 49 PHE HA H 49 5.028 4.539 0.489 1
1 524 . 16 1 1 A 49 49 PHE CB C 49 40.496 40.162 0.334 1
1 537 . 16 1 1 A 49 49 PHE C C 49 176.188 176.139 0.049 1
1 538 . 16 1 1 A 50 50 GLY N N 50 108.499 107.842 0.657 1
1 539 . 16 1 1 A 50 50 GLY H H 50 7.821 8.176 -0.355 1
1 540 . 16 1 1 A 50 50 GLY CA C 50 46.579 47.022 -0.443 1
1 541 . 16 1 1 A 50 50 GLY HA2 H 50 3.953 3.963 -0.010 1
1 542 . 16 1 1 A 50 50 GLY HA3 H 50 3.953 4.008 -0.055 1
1 543 . 16 1 1 A 50 50 GLY C C 50 174.288 175.818 -1.530 1
1 544 . 16 1 1 A 51 51 GLY N N 51 108.968 106.711 2.257 1
1 545 . 16 1 1 A 51 51 GLY H H 51 8.600 8.111 0.489 1
1 546 . 16 1 1 A 51 51 GLY CA C 51 46.597 45.444 1.153 1
1 547 . 16 1 1 A 51 51 GLY HA2 H 51 3.943 4.200 -0.257 1
1 548 . 16 1 1 A 51 51 GLY HA3 H 51 4.047 4.203 -0.156 1
1 549 . 16 1 1 A 51 51 GLY C C 51 174.522 175.375 -0.853 1
1 550 . 16 1 1 A 52 52 VAL N N 52 118.929 118.897 0.032 1
1 551 . 16 1 1 A 52 52 VAL H H 52 7.980 7.916 0.064 1
1 552 . 16 1 1 A 52 52 VAL CA C 52 68.080 65.686 2.394 1
1 553 . 16 1 1 A 52 52 VAL HA H 52 3.334 3.650 -0.316 1
1 554 . 16 1 1 A 52 52 VAL CB C 52 31.150 31.644 -0.494 1
1 564 . 16 1 1 A 52 52 VAL C C 52 177.566 177.415 0.151 1
1 565 . 16 1 1 A 53 53 GLN N N 53 116.880 121.290 -4.410 1
1 566 . 16 1 1 A 53 53 GLN H H 53 8.513 8.066 0.447 1
1 567 . 16 1 1 A 53 53 GLN CA C 53 58.730 58.912 -0.182 1
1 568 . 16 1 1 A 53 53 GLN HA H 53 3.946 3.952 -0.006 1
1 569 . 16 1 1 A 53 53 GLN CB C 53 28.098 28.345 -0.247 1
1 578 . 16 1 1 A 53 53 GLN C C 53 177.916 178.251 -0.335 1
1 579 . 16 1 1 A 54 54 GLU N N 54 119.584 119.660 -0.076 1
1 580 . 16 1 1 A 54 54 GLU H H 54 7.525 8.365 -0.840 1
1 581 . 16 1 1 A 54 54 GLU CA C 54 59.754 58.860 0.894 1
1 582 . 16 1 1 A 54 54 GLU HA H 54 3.980 4.075 -0.095 1
1 583 . 16 1 1 A 54 54 GLU CB C 54 29.509 30.544 -1.035 1
1 589 . 16 1 1 A 54 54 GLU C C 54 180.168 179.805 0.363 1
1 590 . 16 1 1 A 55 55 LEU N N 55 121.130 120.428 0.702 1
1 591 . 16 1 1 A 55 55 LEU H H 55 8.437 8.278 0.159 1
1 592 . 16 1 1 A 55 55 LEU CA C 55 58.005 57.857 0.148 1
1 593 . 16 1 1 A 55 55 LEU HA H 55 3.870 3.922 -0.052 1
1 594 . 16 1 1 A 55 55 LEU CB C 55 42.588 41.319 1.269 1
1 607 . 16 1 1 A 55 55 LEU C C 55 180.835 179.283 1.552 1
1 608 . 16 1 1 A 56 56 LEU N N 56 123.508 118.573 4.935 1
1 609 . 16 1 1 A 56 56 LEU H H 56 8.664 8.617 0.047 1
1 610 . 16 1 1 A 56 56 LEU CA C 56 58.397 57.825 0.572 1
1 611 . 16 1 1 A 56 56 LEU HA H 56 3.972 3.919 0.053 1
1 612 . 16 1 1 A 56 56 LEU CB C 56 42.087 41.454 0.633 1
1 625 . 16 1 1 A 56 56 LEU C C 56 181.257 179.463 1.794 1
1 626 . 16 1 1 A 57 57 ASN N N 57 116.946 118.231 -1.285 1
1 627 . 16 1 1 A 57 57 ASN H H 57 8.334 8.044 0.290 1
1 628 . 16 1 1 A 57 57 ASN CA C 57 54.627 56.466 -1.839 1
1 629 . 16 1 1 A 57 57 ASN HA H 57 4.566 4.372 0.194 1
1 630 . 16 1 1 A 57 57 ASN CB C 57 38.170 38.200 -0.030 1
1 636 . 16 1 1 A 57 57 ASN C C 57 176.756 178.319 -1.563 1
1 637 . 16 1 1 A 58 58 GLN N N 58 118.214 116.411 1.803 1
1 638 . 16 1 1 A 58 58 GLN H H 58 7.670 7.815 -0.145 1
1 639 . 16 1 1 A 58 58 GLN CA C 58 58.022 56.345 1.677 1
1 640 . 16 1 1 A 58 58 GLN HA H 58 4.184 4.243 -0.059 1
1 641 . 16 1 1 A 58 58 GLN CB C 58 28.460 28.790 -0.330 1
1 650 . 16 1 1 A 58 58 GLN C C 58 175.792 175.353 0.439 1
1 651 . 16 1 1 A 59 59 GLN N N 59 114.113 116.017 -1.904 1
1 652 . 16 1 1 A 59 59 GLN H H 59 7.825 8.221 -0.396 1
1 653 . 16 1 1 A 59 59 GLN CA C 59 56.584 56.740 -0.156 1
1 654 . 16 1 1 A 59 59 GLN HA H 59 4.015 3.818 0.197 1
1 655 . 16 1 1 A 59 59 GLN CB C 59 26.829 26.367 0.462 1
1 664 . 16 1 1 A 59 59 GLN C C 59 175.049 175.247 -0.198 1
1 665 . 16 1 1 A 60 60 LYS N N 60 118.472 118.883 -0.411 1
1 666 . 16 1 1 A 60 60 LYS H H 60 9.134 8.137 0.997 1
1 667 . 16 1 1 A 60 60 LYS CA C 60 54.005 56.493 -2.488 1
1 668 . 16 1 1 A 60 60 LYS HA H 60 4.458 4.346 0.112 1
1 669 . 16 1 1 A 60 60 LYS CB C 60 32.573 34.111 -1.538 1
1 681 . 16 1 1 A 60 60 LYS C C 60 176.936 176.036 0.900 1
1 682 . 16 1 1 A 61 61 LYS N N 61 121.877 117.888 3.989 1
1 683 . 16 1 1 A 61 61 LYS H H 61 9.069 8.879 0.190 1
1 684 . 16 1 1 A 61 61 LYS CA C 61 53.421 54.017 -0.596 1
1 685 . 16 1 1 A 61 61 LYS HA H 61 4.517 5.066 -0.549 1
1 686 . 16 1 1 A 61 61 LYS CB C 61 35.816 35.872 -0.056 1
1 698 . 16 1 1 A 61 61 LYS C C 61 175.049 175.534 -0.485 1
1 699 . 16 1 1 A 62 62 SER N N 62 114.153 117.177 -3.024 1
1 700 . 16 1 1 A 62 62 SER H H 62 8.524 8.706 -0.182 1
1 701 . 16 1 1 A 62 62 SER CA C 62 60.959 59.927 1.032 1
1 702 . 16 1 1 A 62 62 SER HA H 62 3.954 4.572 -0.618 1
1 703 . 16 1 1 A 62 62 SER CB C 62 64.374 62.609 1.765 1
1 706 . 16 1 1 A 62 62 SER C C 62 175.660 175.348 0.312 1
1 707 . 16 1 1 A 63 63 GLY N N 63 111.615 113.445 -1.830 1
1 708 . 16 1 1 A 63 63 GLY H H 63 9.308 9.071 0.237 1
1 709 . 16 1 1 A 63 63 GLY CA C 63 44.971 45.324 -0.353 1
1 710 . 16 1 1 A 63 63 GLY HA2 H 63 4.188 4.024 0.164 1
1 711 . 16 1 1 A 63 63 GLY HA3 H 63 4.188 4.027 0.161 1
1 712 . 16 1 1 A 63 63 GLY C C 63 172.420 174.905 -2.485 1
1 713 . 16 1 1 A 64 64 GLU N N 64 117.287 119.964 -2.677 1
1 714 . 16 1 1 A 64 64 GLU H H 64 7.909 7.583 0.326 1
1 715 . 16 1 1 A 64 64 GLU CA C 64 53.972 55.484 -1.512 1
1 716 . 16 1 1 A 64 64 GLU HA H 64 4.549 4.755 -0.206 1
1 717 . 16 1 1 A 64 64 GLU CB C 64 32.449 31.920 0.529 1
1 723 . 16 1 1 A 64 64 GLU C C 64 174.611 174.813 -0.202 1
1 724 . 16 1 1 A 65 65 VAL N N 65 118.093 121.114 -3.021 1
1 725 . 16 1 1 A 65 65 VAL H H 65 8.337 8.916 -0.579 1
1 726 . 16 1 1 A 65 65 VAL CA C 65 59.380 59.887 -0.507 1
1 727 . 16 1 1 A 65 65 VAL HA H 65 5.149 4.950 0.199 1
1 728 . 16 1 1 A 65 65 VAL CB C 65 35.892 35.774 0.118 1
1 738 . 16 1 1 A 65 65 VAL C C 65 172.013 173.105 -1.092 1
1 739 . 16 1 1 A 66 66 ALA N N 66 130.790 130.462 0.328 1
1 740 . 16 1 1 A 66 66 ALA H H 66 8.876 8.560 0.316 1
1 741 . 16 1 1 A 66 66 ALA CA C 66 50.170 50.340 -0.170 1
1 742 . 16 1 1 A 66 66 ALA HA H 66 4.879 5.137 -0.258 1
1 743 . 16 1 1 A 66 66 ALA CB C 66 21.291 20.558 0.733 1
1 747 . 16 1 1 A 66 66 ALA C C 66 175.997 175.999 -0.002 1
1 748 . 16 1 1 A 67 67 VAL N N 67 119.453 124.132 -4.679 1
1 749 . 16 1 1 A 67 67 VAL H H 67 8.615 9.000 -0.385 1
1 750 . 16 1 1 A 67 67 VAL CA C 67 61.078 61.409 -0.331 1
1 751 . 16 1 1 A 67 67 VAL HA H 67 5.255 4.809 0.446 1
1 752 . 16 1 1 A 67 67 VAL CB C 67 36.283 32.714 3.569 1
1 762 . 16 1 1 A 67 67 VAL C C 67 176.213 174.063 2.150 1
1 763 . 16 1 1 A 68 68 LEU N N 68 126.404 129.427 -3.023 1
1 764 . 16 1 1 A 68 68 LEU H H 68 9.013 8.978 0.035 1
1 765 . 16 1 1 A 68 68 LEU CA C 68 53.424 53.324 0.100 1
1 766 . 16 1 1 A 68 68 LEU HA H 68 4.809 5.034 -0.225 1
1 767 . 16 1 1 A 68 68 LEU CB C 68 46.473 45.918 0.555 1
1 780 . 16 1 1 A 68 68 LEU C C 68 174.704 174.955 -0.251 1
1 781 . 16 1 1 A 69 69 LYS N N 69 123.462 128.362 -4.900 1
1 782 . 16 1 1 A 69 69 LYS H H 69 8.756 9.011 -0.255 1
1 783 . 16 1 1 A 69 69 LYS CA C 69 55.228 55.739 -0.511 1
1 784 . 16 1 1 A 69 69 LYS HA H 69 4.791 4.994 -0.203 1
1 785 . 16 1 1 A 69 69 LYS CB C 69 33.820 32.590 1.230 1
1 797 . 16 1 1 A 69 69 LYS C C 69 177.387 175.251 2.136 1
1 798 . 16 1 1 A 70 70 ARG N N 70 127.852 125.175 2.677 1
1 799 . 16 1 1 A 70 70 ARG H H 70 8.688 8.516 0.172 1
1 800 . 16 1 1 A 70 70 ARG CA C 70 52.929 54.808 -1.879 1
1 801 . 16 1 1 A 70 70 ARG CB C 70 34.028 33.811 0.217 1
1 809 . 16 1 1 A 70 70 ARG C C 70 175.460 176.047 -0.587 1
1 810 . 16 1 1 A 71 71 ASP CA C 71 55.193 55.097 0.096 1
1 811 . 16 1 1 A 71 71 ASP HA H 71 4.268 4.323 -0.055 1
1 812 . 16 1 1 A 71 71 ASP CB C 71 40.326 39.776 0.550 1
1 815 . 16 1 1 A 71 71 ASP C C 71 175.970 175.542 0.428 1
1 816 . 16 1 1 A 72 72 GLY N N 72 104.319 104.508 -0.189 1
1 817 . 16 1 1 A 72 72 GLY H H 72 8.642 8.685 -0.043 1
1 818 . 16 1 1 A 72 72 GLY CA C 72 45.692 46.596 -0.904 1
1 819 . 16 1 1 A 72 72 GLY HA2 H 72 4.062 3.829 0.233 1
1 820 . 16 1 1 A 72 72 GLY HA3 H 72 3.516 3.861 -0.345 1
1 821 . 16 1 1 A 72 72 GLY C C 72 172.604 173.418 -0.814 1
1 822 . 16 1 1 A 73 73 ARG N N 73 118.257 114.910 3.347 1
1 823 . 16 1 1 A 73 73 ARG H H 73 7.794 7.323 0.471 1
1 824 . 16 1 1 A 73 73 ARG CA C 73 52.893 54.390 -1.497 1
1 825 . 16 1 1 A 73 73 ARG HA H 73 4.560 4.391 0.169 1
1 826 . 16 1 1 A 73 73 ARG CB C 73 31.831 32.138 -0.307 1
1 837 . 16 1 1 A 73 73 ARG C C 73 173.057 173.378 -0.321 1
1 838 . 16 1 1 A 74 74 TYR N N 74 117.830 117.927 -0.097 1
1 839 . 16 1 1 A 74 74 TYR H H 74 8.366 8.091 0.275 1
1 840 . 16 1 1 A 74 74 TYR CA C 74 57.987 56.568 1.419 1
1 841 . 16 1 1 A 74 74 TYR HA H 74 5.005 5.435 -0.430 1
1 842 . 16 1 1 A 74 74 TYR CB C 74 40.473 39.499 0.974 1
1 853 . 16 1 1 A 74 74 TYR C C 74 173.530 174.540 -1.010 1
1 854 . 16 1 1 A 75 75 ILE N N 75 120.880 124.877 -3.997 1
1 855 . 16 1 1 A 75 75 ILE H H 75 8.923 9.128 -0.205 1
1 856 . 16 1 1 A 75 75 ILE CA C 75 59.632 60.659 -1.027 1
1 857 . 16 1 1 A 75 75 ILE HA H 75 4.398 4.417 -0.019 1
1 858 . 16 1 1 A 75 75 ILE CB C 75 37.608 37.891 -0.283 1
1 871 . 16 1 1 A 75 75 ILE C C 75 174.203 174.904 -0.701 1
1 872 . 16 1 1 A 76 76 TYR N N 76 125.586 127.947 -2.361 1
1 873 . 16 1 1 A 76 76 TYR H H 76 9.540 9.241 0.299 1
1 874 . 16 1 1 A 76 76 TYR CA C 76 59.137 56.998 2.139 1
1 875 . 16 1 1 A 76 76 TYR HA H 76 4.630 5.602 -0.972 1
1 876 . 16 1 1 A 76 76 TYR CB C 76 39.909 41.358 -1.449 1
1 887 . 16 1 1 A 76 76 TYR C C 76 174.280 174.924 -0.644 1
1 888 . 16 1 1 A 77 77 TYR N N 77 123.524 120.899 2.625 1
1 889 . 16 1 1 A 77 77 TYR H H 77 9.221 8.885 0.336 1
1 890 . 16 1 1 A 77 77 TYR CA C 77 55.476 56.450 -0.974 1
1 891 . 16 1 1 A 77 77 TYR HA H 77 4.155 5.178 -1.023 1
1 892 . 16 1 1 A 77 77 TYR CB C 77 35.926 40.041 -4.115 1
1 903 . 16 1 1 A 77 77 TYR C C 77 174.236 174.948 -0.712 1
1 904 . 16 1 1 A 78 78 LEU N N 78 123.875 126.194 -2.319 1
1 905 . 16 1 1 A 78 78 LEU H H 78 8.948 8.804 0.144 1
1 906 . 16 1 1 A 78 78 LEU CA C 78 55.635 55.698 -0.063 1
1 907 . 16 1 1 A 78 78 LEU HA H 78 4.134 4.448 -0.314 1
1 908 . 16 1 1 A 78 78 LEU CB C 78 40.856 42.386 -1.530 1
1 921 . 16 1 1 A 78 78 LEU C C 78 175.294 176.339 -1.045 1
1 922 . 16 1 1 A 79 79 ILE N N 79 127.986 124.674 3.312 1
1 923 . 16 1 1 A 79 79 ILE H H 79 8.322 8.353 -0.031 1
1 924 . 16 1 1 A 79 79 ILE CA C 79 59.349 60.590 -1.241 1
1 925 . 16 1 1 A 79 79 ILE HA H 79 4.372 4.651 -0.279 1
1 926 . 16 1 1 A 79 79 ILE CB C 79 34.277 39.107 -4.830 1
1 939 . 16 1 1 A 79 79 ILE C C 79 176.505 175.987 0.518 1
1 940 . 16 1 1 A 80 80 THR N N 80 113.978 118.933 -4.955 1
1 941 . 16 1 1 A 80 80 THR H H 80 8.276 8.780 -0.504 1
1 942 . 16 1 1 A 80 80 THR CA C 80 61.646 62.422 -0.776 1
1 943 . 16 1 1 A 80 80 THR HA H 80 4.334 4.534 -0.200 1
1 944 . 16 1 1 A 80 80 THR CB C 80 69.165 69.708 -0.543 1
1 950 . 16 1 1 A 80 80 THR C C 80 172.999 174.586 -1.587 1
1 951 . 16 1 1 A 81 81 LYS N N 81 114.856 119.540 -4.684 1
1 952 . 16 1 1 A 81 81 LYS H H 81 7.512 7.609 -0.097 1
1 953 . 16 1 1 A 81 81 LYS CA C 81 54.894 54.196 0.698 1
1 954 . 16 1 1 A 81 81 LYS HA H 81 4.649 4.813 -0.164 1
1 955 . 16 1 1 A 81 81 LYS CB C 81 34.139 34.114 0.025 1
1 964 . 16 1 1 A 81 81 LYS C C 81 175.344 176.216 -0.872 1
1 965 . 16 1 1 A 82 82 LYS N N 82 121.209 117.930 3.279 1
1 966 . 16 1 1 A 82 82 LYS H H 82 9.577 8.737 0.840 1
1 967 . 16 1 1 A 82 82 LYS CA C 82 60.198 56.537 3.661 1
1 968 . 16 1 1 A 82 82 LYS HA H 82 3.884 4.679 -0.795 1
1 969 . 16 1 1 A 82 82 LYS CB C 82 33.603 34.781 -1.178 1
1 981 . 16 1 1 A 82 82 LYS C C 82 176.049 177.166 -1.117 1
1 982 . 16 1 1 A 83 83 ARG N N 83 112.456 118.702 -6.246 1
1 983 . 16 1 1 A 83 83 ARG H H 83 6.717 7.472 -0.755 1
1 984 . 16 1 1 A 83 83 ARG CA C 83 52.451 54.381 -1.930 1
1 985 . 16 1 1 A 83 83 ARG HA H 83 4.691 4.704 -0.013 1
1 986 . 16 1 1 A 83 83 ARG CB C 83 32.857 33.566 -0.709 1
1 995 . 16 1 1 A 83 83 ARG C C 83 177.299 176.299 1.000 1
1 996 . 16 1 1 A 84 84 ALA N N 84 124.857 125.550 -0.693 1
1 997 . 16 1 1 A 84 84 ALA H H 84 9.290 8.953 0.337 1
1 998 . 16 1 1 A 84 84 ALA CA C 84 56.005 55.753 0.252 1
1 999 . 16 1 1 A 84 84 ALA HA H 84 3.895 3.968 -0.073 1
1 1000 . 16 1 1 A 84 84 ALA CB C 84 19.175 18.338 0.837 1
1 1004 . 16 1 1 A 84 84 ALA C C 84 178.350 179.299 -0.949 1
1 1005 . 16 1 1 A 85 85 SER CA C 85 58.631 61.191 -2.560 1
1 1006 . 16 1 1 A 85 85 SER HA H 85 4.338 4.020 0.318 1
1 1007 . 16 1 1 A 85 85 SER CB C 85 63.277 62.820 0.457 1
1 1010 . 16 1 1 A 85 85 SER C C 85 175.469 174.425 1.044 1
1 1011 . 16 1 1 A 86 86 HIS N N 86 121.978 117.400 4.578 1
1 1012 . 16 1 1 A 86 86 HIS H H 86 7.560 7.982 -0.422 1
1 1013 . 16 1 1 A 86 86 HIS CA C 86 54.468 55.992 -1.524 1
1 1014 . 16 1 1 A 86 86 HIS HA H 86 4.766 4.713 0.053 1
1 1015 . 16 1 1 A 86 86 HIS CB C 86 33.069 30.988 2.081 1
1 1022 . 16 1 1 A 86 86 HIS C C 86 174.466 175.560 -1.094 1
1 1023 . 16 1 1 A 87 87 LYS N N 87 122.014 122.146 -0.132 1
1 1024 . 16 1 1 A 87 87 LYS H H 87 8.693 8.591 0.102 1
1 1025 . 16 1 1 A 87 87 LYS CA C 87 53.283 53.481 -0.198 1
1 1026 . 16 1 1 A 87 87 LYS HA H 87 4.792 4.631 0.161 1
1 1027 . 16 1 1 A 87 87 LYS CB C 87 32.803 32.060 0.743 1
1 1037 . 16 1 1 A 87 87 LYS C C 87 175.072 174.322 0.750 1
1 1038 . 16 1 1 A 88 88 PRO CA C 88 62.515 62.408 0.107 1
1 1039 . 16 1 1 A 88 88 PRO HA H 88 4.796 4.757 0.039 1
1 1040 . 16 1 1 A 88 88 PRO CB C 88 32.687 32.827 -0.140 1
1 1049 . 16 1 1 A 88 88 PRO C C 88 175.319 176.337 -1.018 1
1 1050 . 16 1 1 A 89 89 THR N N 89 107.501 111.318 -3.817 1
1 1051 . 16 1 1 A 89 89 THR H H 89 7.933 8.231 -0.298 1
1 1052 . 16 1 1 A 89 89 THR CA C 89 58.518 59.470 -0.952 1
1 1053 . 16 1 1 A 89 89 THR HA H 89 4.758 4.828 -0.070 1
1 1054 . 16 1 1 A 89 89 THR CB C 89 70.861 71.790 -0.929 1
1 1060 . 16 1 1 A 89 89 THR C C 89 175.662 174.389 1.273 1
1 1061 . 16 1 1 A 90 90 TYR N N 90 120.845 122.097 -1.252 1
1 1062 . 16 1 1 A 90 90 TYR H H 90 8.751 9.091 -0.340 1
1 1063 . 16 1 1 A 90 90 TYR CA C 90 63.195 61.546 1.649 1
1 1064 . 16 1 1 A 90 90 TYR HA H 90 4.064 4.176 -0.112 1
1 1065 . 16 1 1 A 90 90 TYR CB C 90 37.372 37.909 -0.537 1
1 1076 . 16 1 1 A 90 90 TYR C C 90 178.063 178.157 -0.094 1
1 1077 . 16 1 1 A 91 91 GLU N N 91 118.210 122.254 -4.044 1
1 1078 . 16 1 1 A 91 91 GLU H H 91 8.857 8.607 0.250 1
1 1079 . 16 1 1 A 91 91 GLU CA C 91 60.312 59.414 0.898 1
1 1080 . 16 1 1 A 91 91 GLU HA H 91 4.114 4.033 0.081 1
1 1081 . 16 1 1 A 91 91 GLU CB C 91 29.276 29.206 0.070 1
1 1087 . 16 1 1 A 91 91 GLU C C 91 178.970 178.570 0.400 1
1 1088 . 16 1 1 A 92 92 ASN N N 92 117.220 117.856 -0.636 1
1 1089 . 16 1 1 A 92 92 ASN H H 92 7.894 7.885 0.009 1
1 1090 . 16 1 1 A 92 92 ASN CA C 92 55.334 56.344 -1.010 1
1 1091 . 16 1 1 A 92 92 ASN HA H 92 4.696 4.387 0.309 1
1 1092 . 16 1 1 A 92 92 ASN CB C 92 37.704 37.978 -0.274 1
1 1098 . 16 1 1 A 92 92 ASN C C 92 178.155 177.957 0.198 1
1 1099 . 16 1 1 A 93 93 LEU N N 93 121.622 121.300 0.322 1
1 1100 . 16 1 1 A 93 93 LEU H H 93 8.038 7.888 0.150 1
1 1101 . 16 1 1 A 93 93 LEU CA C 93 58.495 58.932 -0.437 1
1 1102 . 16 1 1 A 93 93 LEU HA H 93 4.092 3.971 0.121 1
1 1103 . 16 1 1 A 93 93 LEU CB C 93 41.383 41.824 -0.441 1
1 1116 . 16 1 1 A 93 93 LEU C C 93 177.808 178.532 -0.724 1
1 1117 . 16 1 1 A 94 94 GLN N N 94 120.352 118.209 2.143 1
1 1118 . 16 1 1 A 94 94 GLN H H 94 8.792 7.690 1.102 1
1 1119 . 16 1 1 A 94 94 GLN CA C 94 61.099 59.324 1.775 1
1 1120 . 16 1 1 A 94 94 GLN HA H 94 3.721 3.981 -0.260 1
1 1121 . 16 1 1 A 94 94 GLN CB C 94 27.560 28.934 -1.374 1
1 1130 . 16 1 1 A 94 94 GLN C C 94 178.042 178.219 -0.177 1
1 1131 . 16 1 1 A 95 95 LYS N N 95 117.824 118.358 -0.534 1
1 1132 . 16 1 1 A 95 95 LYS H H 95 7.803 7.895 -0.092 1
1 1133 . 16 1 1 A 95 95 LYS CA C 95 60.222 59.712 0.510 1
1 1134 . 16 1 1 A 95 95 LYS HA H 95 4.012 3.921 0.091 1
1 1135 . 16 1 1 A 95 95 LYS CB C 95 33.168 32.313 0.855 1
1 1147 . 16 1 1 A 95 95 LYS C C 95 179.868 179.165 0.703 1
1 1148 . 16 1 1 A 96 96 SER N N 96 118.301 116.371 1.930 1
1 1149 . 16 1 1 A 96 96 SER H H 96 8.251 8.146 0.105 1
1 1150 . 16 1 1 A 96 96 SER CA C 96 63.668 62.454 1.214 1
1 1151 . 16 1 1 A 96 96 SER HA H 96 3.710 4.338 -0.628 1
1 1152 . 16 1 1 A 96 96 SER CB C 96 62.882 62.976 -0.094 1
1 1155 . 16 1 1 A 96 96 SER C C 96 176.400 176.325 0.075 1
1 1156 . 16 1 1 A 97 97 LEU N N 97 122.701 120.853 1.848 1
1 1157 . 16 1 1 A 97 97 LEU H H 97 8.467 8.257 0.210 1
1 1158 . 16 1 1 A 97 97 LEU CA C 97 58.323 57.942 0.381 1
1 1159 . 16 1 1 A 97 97 LEU HA H 97 3.861 4.034 -0.173 1
1 1160 . 16 1 1 A 97 97 LEU CB C 97 42.995 41.284 1.711 1
1 1173 . 16 1 1 A 97 97 LEU C C 97 178.941 179.447 -0.506 1
1 1174 . 16 1 1 A 98 98 GLU N N 98 119.918 119.341 0.577 1
1 1175 . 16 1 1 A 98 98 GLU H H 98 8.410 8.291 0.119 1
1 1176 . 16 1 1 A 98 98 GLU CA C 98 59.561 59.420 0.141 1
1 1177 . 16 1 1 A 98 98 GLU HA H 98 3.622 3.877 -0.255 1
1 1178 . 16 1 1 A 98 98 GLU CB C 98 29.142 28.922 0.220 1
1 1184 . 16 1 1 A 98 98 GLU C C 98 179.137 178.799 0.338 1
1 1185 . 16 1 1 A 99 99 ALA N N 99 124.193 122.633 1.560 1
1 1186 . 16 1 1 A 99 99 ALA H H 99 8.197 8.144 0.053 1
1 1187 . 16 1 1 A 99 99 ALA CA C 99 55.016 55.134 -0.118 1
1 1188 . 16 1 1 A 99 99 ALA HA H 99 4.247 4.113 0.134 1
1 1189 . 16 1 1 A 99 99 ALA CB C 99 17.815 18.196 -0.381 1
1 1193 . 16 1 1 A 99 99 ALA C C 99 181.133 179.674 1.459 1
1 1194 . 16 1 1 A 100 100 MET N N 100 122.009 118.470 3.539 1
1 1195 . 16 1 1 A 100 100 MET H H 100 8.482 8.159 0.323 1
1 1196 . 16 1 1 A 100 100 MET CA C 100 59.826 58.317 1.509 1
1 1197 . 16 1 1 A 100 100 MET HA H 100 3.714 4.106 -0.392 1
1 1198 . 16 1 1 A 100 100 MET CB C 100 32.944 32.098 0.846 1
1 1208 . 16 1 1 A 100 100 MET C C 100 176.658 177.953 -1.295 1
1 1209 . 16 1 1 A 101 101 LYS N N 101 120.991 118.797 2.194 1
1 1210 . 16 1 1 A 101 101 LYS H H 101 8.721 7.657 1.064 1
1 1211 . 16 1 1 A 101 101 LYS CA C 101 60.563 58.992 1.571 1
1 1212 . 16 1 1 A 101 101 LYS HA H 101 3.614 4.036 -0.422 1
1 1213 . 16 1 1 A 101 101 LYS CB C 101 30.759 32.022 -1.263 1
1 1225 . 16 1 1 A 101 101 LYS C C 101 177.419 178.306 -0.887 1
1 1226 . 16 1 1 A 102 102 SER N N 102 111.833 114.634 -2.801 1
1 1227 . 16 1 1 A 102 102 SER H H 102 8.005 7.686 0.319 1
1 1228 . 16 1 1 A 102 102 SER CA C 102 61.993 61.769 0.224 1
1 1229 . 16 1 1 A 102 102 SER HA H 102 4.082 4.113 -0.031 1
1 1230 . 16 1 1 A 102 102 SER CB C 102 62.863 63.101 -0.238 1
1 1233 . 16 1 1 A 102 102 SER C C 102 176.601 176.848 -0.247 1
1 1234 . 16 1 1 A 103 103 HIS N N 103 121.793 120.854 0.939 1
1 1235 . 16 1 1 A 103 103 HIS H H 103 7.605 8.145 -0.540 1
1 1236 . 16 1 1 A 103 103 HIS CA C 103 62.090 60.002 2.088 1
1 1237 . 16 1 1 A 103 103 HIS HA H 103 4.000 4.256 -0.256 1
1 1238 . 16 1 1 A 103 103 HIS CB C 103 30.652 30.102 0.550 1
1 1245 . 16 1 1 A 103 103 HIS C C 103 179.129 176.384 2.745 1
1 1246 . 16 1 1 A 104 104 CYS N N 104 119.421 116.758 2.663 1
1 1247 . 16 1 1 A 104 104 CYS H H 104 9.261 8.035 1.226 1
1 1248 . 16 1 1 A 104 104 CYS CA C 104 63.841 63.588 0.253 1
1 1249 . 16 1 1 A 104 104 CYS HA H 104 4.105 4.281 -0.176 1
1 1250 . 16 1 1 A 104 104 CYS CB C 104 27.916 27.217 0.699 1
1 1253 . 16 1 1 A 104 104 CYS C C 104 178.176 177.585 0.591 1
1 1254 . 16 1 1 A 105 105 LEU N N 105 117.129 120.646 -3.517 1
1 1255 . 16 1 1 A 105 105 LEU H H 105 8.331 7.824 0.507 1
1 1256 . 16 1 1 A 105 105 LEU CA C 105 57.262 58.139 -0.877 1
1 1257 . 16 1 1 A 105 105 LEU HA H 105 4.245 3.940 0.305 1
1 1258 . 16 1 1 A 105 105 LEU CB C 105 42.030 41.706 0.324 1
1 1271 . 16 1 1 A 105 105 LEU C C 105 180.635 179.109 1.526 1
1 1272 . 16 1 1 A 106 106 LYS N N 106 118.583 116.542 2.041 1
1 1273 . 16 1 1 A 106 106 LYS H H 106 7.638 8.172 -0.534 1
1 1274 . 16 1 1 A 106 106 LYS CA C 106 58.075 60.142 -2.067 1
1 1275 . 16 1 1 A 106 106 LYS HA H 106 4.140 3.885 0.255 1
1 1276 . 16 1 1 A 106 106 LYS CB C 106 33.191 32.342 0.849 1
1 1288 . 16 1 1 A 106 106 LYS C C 106 177.466 178.759 -1.293 1
1 1289 . 16 1 1 A 107 107 ASN N N 107 113.320 114.856 -1.536 1
1 1290 . 16 1 1 A 107 107 ASN H H 107 7.606 8.102 -0.496 1
1 1291 . 16 1 1 A 107 107 ASN CA C 107 53.813 54.465 -0.652 1
1 1292 . 16 1 1 A 107 107 ASN HA H 107 4.841 4.575 0.266 1
1 1293 . 16 1 1 A 107 107 ASN CB C 107 39.785 38.519 1.266 1
1 1299 . 16 1 1 A 107 107 ASN C C 107 174.443 176.097 -1.654 1
1 1300 . 16 1 1 A 108 108 GLY N N 108 109.386 104.019 5.367 1
1 1301 . 16 1 1 A 108 108 GLY H H 108 7.667 7.852 -0.185 1
1 1302 . 16 1 1 A 108 108 GLY CA C 108 47.252 45.349 1.903 1
1 1303 . 16 1 1 A 108 108 GLY HA2 H 108 4.023 4.154 -0.131 1
1 1304 . 16 1 1 A 108 108 GLY HA3 H 108 4.023 4.166 -0.143 1
1 1305 . 16 1 1 A 108 108 GLY C C 108 174.436 174.165 0.271 1
1 1306 . 16 1 1 A 109 109 VAL N N 109 122.758 120.428 2.330 1
1 1307 . 16 1 1 A 109 109 VAL H H 109 8.480 8.461 0.019 1
1 1308 . 16 1 1 A 109 109 VAL CA C 109 63.788 61.288 2.500 1
1 1309 . 16 1 1 A 109 109 VAL HA H 109 4.094 4.611 -0.517 1
1 1310 . 16 1 1 A 109 109 VAL CB C 109 32.931 34.237 -1.306 1
1 1320 . 16 1 1 A 109 109 VAL C C 109 176.089 175.987 0.102 1
1 1321 . 16 1 1 A 110 110 THR N N 110 115.431 116.188 -0.757 1
1 1322 . 16 1 1 A 110 110 THR H H 110 8.995 8.838 0.157 1
1 1323 . 16 1 1 A 110 110 THR CA C 110 62.045 61.036 1.009 1
1 1324 . 16 1 1 A 110 110 THR HA H 110 4.515 4.761 -0.246 1
1 1325 . 16 1 1 A 110 110 THR CB C 110 70.758 70.501 0.257 1
1 1331 . 16 1 1 A 110 110 THR C C 110 173.700 173.601 0.099 1
1 1332 . 16 1 1 A 111 111 ASP N N 111 123.757 120.910 2.847 1
1 1333 . 16 1 1 A 111 111 ASP H H 111 8.123 7.896 0.227 1
1 1334 . 16 1 1 A 111 111 ASP CA C 111 54.747 52.915 1.832 1
1 1335 . 16 1 1 A 111 111 ASP HA H 111 5.527 5.317 0.210 1
1 1336 . 16 1 1 A 111 111 ASP CB C 111 43.928 43.746 0.182 1
1 1339 . 16 1 1 A 111 111 ASP C C 111 172.807 174.755 -1.948 1
1 1340 . 16 1 1 A 112 112 LEU N N 112 123.145 126.137 -2.992 1
1 1341 . 16 1 1 A 112 112 LEU H H 112 8.671 9.074 -0.403 1
1 1342 . 16 1 1 A 112 112 LEU CA C 112 52.953 53.690 -0.737 1
1 1343 . 16 1 1 A 112 112 LEU HA H 112 5.213 5.189 0.024 1
1 1344 . 16 1 1 A 112 112 LEU CB C 112 47.875 46.656 1.219 1
1 1357 . 16 1 1 A 112 112 LEU C C 112 176.803 173.882 2.921 1
1 1358 . 16 1 1 A 113 113 SER N N 113 122.973 121.295 1.678 1
1 1359 . 16 1 1 A 113 113 SER H H 113 9.473 8.644 0.829 1
1 1360 . 16 1 1 A 113 113 SER CA C 113 59.207 57.447 1.760 1
1 1361 . 16 1 1 A 113 113 SER HA H 113 6.070 5.473 0.597 1
1 1362 . 16 1 1 A 113 113 SER CB C 113 67.023 65.968 1.055 1
1 1365 . 16 1 1 A 113 113 SER C C 113 172.066 173.150 -1.084 1
1 1366 . 16 1 1 A 114 114 MET N N 114 118.476 122.744 -4.268 1
1 1367 . 16 1 1 A 114 114 MET H H 114 9.080 8.898 0.182 1
1 1368 . 16 1 1 A 114 114 MET CA C 114 54.007 53.252 0.755 1
1 1369 . 16 1 1 A 114 114 MET HA H 114 5.435 5.198 0.237 1
1 1370 . 16 1 1 A 114 114 MET CB C 114 34.867 35.355 -0.488 1
1 1380 . 16 1 1 A 114 114 MET C C 114 172.934 174.518 -1.584 1
1 1381 . 16 1 1 A 115 115 PRO CA C 115 62.262 62.296 -0.034 1
1 1382 . 16 1 1 A 115 115 PRO HA H 115 5.593 4.637 0.956 1
1 1383 . 16 1 1 A 115 115 PRO CB C 115 32.748 33.274 -0.526 1
1 1392 . 16 1 1 A 115 115 PRO C C 115 175.547 175.862 -0.315 1
1 1393 . 16 1 1 A 116 116 ARG N N 116 116.821 120.784 -3.963 1
1 1394 . 16 1 1 A 116 116 ARG H H 116 8.348 8.509 -0.161 1
1 1395 . 16 1 1 A 116 116 ARG CA C 116 55.785 56.131 -0.346 1
1 1396 . 16 1 1 A 116 116 ARG HA H 116 3.896 4.378 -0.482 1
1 1397 . 16 1 1 A 116 116 ARG CB C 116 27.344 30.622 -3.278 1
1 1406 . 16 1 1 A 116 116 ARG C C 116 176.796 176.209 0.587 1
1 1407 . 16 1 1 A 117 117 ILE N N 117 122.887 119.681 3.206 1
1 1408 . 16 1 1 A 117 117 ILE H H 117 7.989 8.920 -0.931 1
1 1409 . 16 1 1 A 117 117 ILE CA C 117 63.148 58.981 4.167 1
1 1410 . 16 1 1 A 117 117 ILE HA H 117 4.028 4.984 -0.956 1
1 1411 . 16 1 1 A 117 117 ILE CB C 117 40.010 40.841 -0.831 1
1 1424 . 16 1 1 A 117 117 ILE C C 117 174.324 175.634 -1.310 1
1 1425 . 16 1 1 A 118 118 GLY N N 118 107.320 111.570 -4.250 1
1 1426 . 16 1 1 A 118 118 GLY H H 118 8.662 8.646 0.016 1
1 1427 . 16 1 1 A 118 118 GLY CA C 118 45.752 45.341 0.411 1
1 1428 . 16 1 1 A 118 118 GLY HA2 H 118 3.693 4.180 -0.487 1
1 1429 . 16 1 1 A 118 118 GLY HA3 H 118 4.226 4.231 -0.005 1
1 1430 . 16 1 1 A 118 118 GLY C C 118 172.861 175.091 -2.230 1
1 1431 . 16 1 1 A 119 119 CYS N N 119 115.336 119.211 -3.875 1
1 1432 . 16 1 1 A 119 119 CYS H H 119 7.445 7.980 -0.535 1
1 1433 . 16 1 1 A 119 119 CYS CA C 119 58.753 60.520 -1.767 1
1 1434 . 16 1 1 A 119 119 CYS HA H 119 4.831 4.367 0.464 1
1 1435 . 16 1 1 A 119 119 CYS CB C 119 28.840 27.279 1.561 1
1 1438 . 16 1 1 A 121 121 LEU CA C 121 57.692 58.067 -0.375 1
1 1439 . 16 1 1 A 121 121 LEU HA H 121 4.152 4.003 0.149 1
1 1440 . 16 1 1 A 121 121 LEU CB C 121 41.644 42.214 -0.570 1
1 1453 . 16 1 1 A 123 123 ARG N N 123 107.909 120.512 -12.603 1
1 1454 . 16 1 1 A 123 123 ARG H H 123 7.536 8.029 -0.493 1
1 1455 . 16 1 1 A 123 123 ARG CA C 123 57.775 59.020 -1.245 1
1 1456 . 16 1 1 A 123 123 ARG HA H 123 3.989 4.064 -0.075 1
1 1457 . 16 1 1 A 123 123 ARG CB C 123 28.219 30.365 -2.146 1
1 1466 . 16 1 1 A 123 123 ARG C C 123 176.088 175.811 0.277 1
1 1467 . 16 1 1 A 124 124 LEU N N 124 118.876 119.346 -0.470 1
1 1468 . 16 1 1 A 124 124 LEU H H 124 8.401 7.837 0.564 1
1 1469 . 16 1 1 A 124 124 LEU CA C 124 54.573 53.048 1.525 1
1 1470 . 16 1 1 A 124 124 LEU HA H 124 4.533 4.865 -0.332 1
1 1471 . 16 1 1 A 124 124 LEU CB C 124 39.785 45.615 -5.830 1
1 1484 . 16 1 1 A 124 124 LEU C C 124 175.551 175.876 -0.325 1
1 1485 . 16 1 1 A 125 125 GLN N N 125 116.713 119.159 -2.446 1
1 1486 . 16 1 1 A 125 125 GLN H H 125 7.779 8.650 -0.871 1
1 1487 . 16 1 1 A 125 125 GLN CA C 125 54.609 54.349 0.260 1
1 1488 . 16 1 1 A 125 125 GLN HA H 125 4.794 5.015 -0.221 1
1 1489 . 16 1 1 A 125 125 GLN CB C 125 30.327 32.146 -1.819 1
1 1498 . 16 1 1 A 125 125 GLN C C 125 177.722 176.129 1.593 1
1 1499 . 16 1 1 A 126 126 TRP N N 126 128.887 125.489 3.398 1
1 1500 . 16 1 1 A 126 126 TRP H H 126 9.755 9.197 0.558 1
1 1501 . 16 1 1 A 126 126 TRP CA C 126 59.962 61.256 -1.294 1
1 1502 . 16 1 1 A 126 126 TRP HA H 126 4.545 4.265 0.280 1
1 1503 . 16 1 1 A 126 126 TRP CB C 126 30.009 30.199 -0.190 1
1 1518 . 16 1 1 A 126 126 TRP C C 126 177.057 178.106 -1.049 1
1 1519 . 16 1 1 A 127 127 GLU N N 127 119.568 118.625 0.943 1
1 1520 . 16 1 1 A 127 127 GLU H H 127 9.946 8.433 1.513 1
1 1521 . 16 1 1 A 127 127 GLU CA C 127 60.623 59.929 0.694 1
1 1522 . 16 1 1 A 127 127 GLU HA H 127 3.780 3.911 -0.131 1
1 1523 . 16 1 1 A 127 127 GLU CB C 127 28.594 29.119 -0.525 1
1 1529 . 16 1 1 A 127 127 GLU C C 127 177.905 179.273 -1.368 1
1 1530 . 16 1 1 A 128 128 ASN N N 128 115.229 117.747 -2.518 1
1 1531 . 16 1 1 A 128 128 ASN H H 128 7.159 7.629 -0.470 1
1 1532 . 16 1 1 A 128 128 ASN CA C 128 55.370 55.922 -0.552 1
1 1533 . 16 1 1 A 128 128 ASN HA H 128 4.446 4.438 0.008 1
1 1534 . 16 1 1 A 128 128 ASN CB C 128 38.522 38.360 0.162 1
1 1540 . 16 1 1 A 128 128 ASN C C 128 177.374 177.652 -0.278 1
1 1541 . 16 1 1 A 129 129 VAL N N 129 122.487 120.199 2.288 1
1 1542 . 16 1 1 A 129 129 VAL H H 129 8.033 7.891 0.142 1
1 1543 . 16 1 1 A 129 129 VAL CA C 129 67.289 66.813 0.476 1
1 1544 . 16 1 1 A 129 129 VAL HA H 129 3.489 3.541 -0.052 1
1 1545 . 16 1 1 A 129 129 VAL CB C 129 31.824 31.430 0.394 1
1 1555 . 16 1 1 A 129 129 VAL C C 129 177.209 177.435 -0.226 1
1 1556 . 16 1 1 A 130 130 SER N N 130 115.189 113.685 1.504 1
1 1557 . 16 1 1 A 130 130 SER H H 130 8.550 8.136 0.414 1
1 1558 . 16 1 1 A 130 130 SER CA C 130 61.477 60.808 0.669 1
1 1559 . 16 1 1 A 130 130 SER HA H 130 3.151 3.651 -0.500 1
1 1560 . 16 1 1 A 130 130 SER CB C 130 61.348 61.929 -0.581 1
1 1563 . 16 1 1 A 130 130 SER C C 130 175.971 176.817 -0.846 1
1 1564 . 16 1 1 A 131 131 ALA N N 131 123.596 123.834 -0.238 1
1 1565 . 16 1 1 A 131 131 ALA H H 131 6.551 8.037 -1.486 1
1 1566 . 16 1 1 A 131 131 ALA CA C 131 54.947 55.098 -0.151 1
1 1567 . 16 1 1 A 131 131 ALA HA H 131 4.079 3.937 0.142 1
1 1568 . 16 1 1 A 131 131 ALA CB C 131 18.023 17.753 0.270 1
1 1572 . 16 1 1 A 131 131 ALA C C 131 179.947 180.520 -0.573 1
1 1573 . 16 1 1 A 132 132 MET N N 132 119.410 116.422 2.988 1
1 1574 . 16 1 1 A 132 132 MET H H 132 7.442 8.283 -0.841 1
1 1575 . 16 1 1 A 132 132 MET CA C 132 58.917 58.174 0.743 1
1 1576 . 16 1 1 A 132 132 MET HA H 132 4.118 4.186 -0.068 1
1 1577 . 16 1 1 A 132 132 MET CB C 132 33.984 31.891 2.093 1
1 1587 . 16 1 1 A 132 132 MET C C 132 178.019 179.049 -1.030 1
1 1588 . 16 1 1 A 133 133 ILE N N 133 120.265 120.630 -0.365 1
1 1589 . 16 1 1 A 133 133 ILE H H 133 8.554 7.511 1.043 1
1 1590 . 16 1 1 A 133 133 ILE CA C 133 66.859 64.211 2.648 1
1 1591 . 16 1 1 A 133 133 ILE HA H 133 3.470 3.950 -0.480 1
1 1592 . 16 1 1 A 133 133 ILE CB C 133 38.240 36.912 1.328 1
1 1605 . 16 1 1 A 133 133 ILE C C 133 177.949 178.144 -0.195 1
1 1606 . 16 1 1 A 134 134 GLU N N 134 117.011 121.698 -4.687 1
1 1607 . 16 1 1 A 134 134 GLU H H 134 8.106 8.109 -0.003 1
1 1608 . 16 1 1 A 134 134 GLU CA C 134 59.844 59.591 0.253 1
1 1609 . 16 1 1 A 134 134 GLU HA H 134 3.919 4.131 -0.212 1
1 1610 . 16 1 1 A 134 134 GLU CB C 134 29.024 29.738 -0.714 1
1 1616 . 16 1 1 A 134 134 GLU C C 134 178.982 179.195 -0.213 1
1 1617 . 16 1 1 A 135 135 GLU N N 135 118.619 118.977 -0.358 1
1 1618 . 16 1 1 A 135 135 GLU H H 135 7.848 8.409 -0.561 1
1 1619 . 16 1 1 A 135 135 GLU CA C 135 59.438 59.325 0.113 1
1 1620 . 16 1 1 A 135 135 GLU HA H 135 4.090 4.081 0.009 1
1 1621 . 16 1 1 A 135 135 GLU CB C 135 29.948 29.103 0.845 1
1 1627 . 16 1 1 A 135 135 GLU C C 135 179.547 179.113 0.434 1
1 1628 . 16 1 1 A 136 136 VAL N N 136 119.915 121.485 -1.570 1
1 1629 . 16 1 1 A 136 136 VAL H H 136 8.793 7.820 0.973 1
1 1630 . 16 1 1 A 136 136 VAL CA C 136 66.122 66.422 -0.300 1
1 1631 . 16 1 1 A 136 136 VAL HA H 136 3.578 3.501 0.077 1
1 1632 . 16 1 1 A 136 136 VAL CB C 136 31.990 31.715 0.275 1
1 1642 . 16 1 1 A 136 136 VAL C C 136 177.646 177.527 0.119 1
1 1643 . 16 1 1 A 137 137 PHE N N 137 111.913 117.443 -5.530 1
1 1644 . 16 1 1 A 137 137 PHE H H 137 8.009 7.688 0.321 1
1 1645 . 16 1 1 A 137 137 PHE CA C 137 59.545 59.548 -0.003 1
1 1646 . 16 1 1 A 137 137 PHE HA H 137 4.197 4.682 -0.485 1
1 1647 . 16 1 1 A 137 137 PHE CB C 137 38.105 38.311 -0.206 1
1 1660 . 16 1 1 A 138 138 GLU N N 138 123.997 119.239 4.758 1
1 1661 . 16 1 1 A 138 138 GLU H H 138 7.268 8.251 -0.983 1
1 1662 . 16 1 1 A 138 138 GLU CA C 138 59.222 58.760 0.462 1
1 1663 . 16 1 1 A 138 138 GLU HA H 138 4.161 4.156 0.005 1
1 1664 . 16 1 1 A 138 138 GLU CB C 138 29.644 29.050 0.594 1
1 1670 . 16 1 1 A 139 139 ALA N N 139 121.713 121.382 0.331 1
1 1671 . 16 1 1 A 139 139 ALA H H 139 8.830 7.871 0.959 1
1 1672 . 16 1 1 A 139 139 ALA CA C 139 52.894 51.014 1.880 1
1 1673 . 16 1 1 A 139 139 ALA HA H 139 4.334 4.459 -0.125 1
1 1674 . 16 1 1 A 139 139 ALA CB C 139 17.362 19.155 -1.793 1
1 1678 . 16 1 1 A 139 139 ALA C C 139 176.943 176.187 0.756 1
1 1679 . 16 1 1 A 140 140 THR N N 140 107.901 109.536 -1.635 1
1 1680 . 16 1 1 A 140 140 THR H H 140 7.809 7.695 0.114 1
1 1681 . 16 1 1 A 140 140 THR CA C 140 61.013 60.188 0.825 1
1 1682 . 16 1 1 A 140 140 THR HA H 140 4.164 4.856 -0.692 1
1 1683 . 16 1 1 A 140 140 THR CB C 140 72.698 72.169 0.529 1
1 1689 . 16 1 1 A 140 140 THR C C 140 174.222 172.548 1.674 1
1 1690 . 16 1 1 A 141 141 ASP N N 141 120.212 121.527 -1.315 1
1 1691 . 16 1 1 A 141 141 ASP H H 141 8.959 8.892 0.067 1
1 1692 . 16 1 1 A 141 141 ASP CA C 141 53.333 52.795 0.538 1
1 1693 . 16 1 1 A 141 141 ASP HA H 141 4.991 5.011 -0.020 1
1 1694 . 16 1 1 A 141 141 ASP CB C 141 40.660 41.700 -1.040 1
1 1697 . 16 1 1 A 141 141 ASP C C 141 175.403 175.031 0.372 1
1 1698 . 16 1 1 A 142 142 ILE N N 142 120.815 121.598 -0.783 1
1 1699 . 16 1 1 A 142 142 ILE H H 142 7.444 7.621 -0.177 1
1 1700 . 16 1 1 A 142 142 ILE CA C 142 62.338 60.488 1.850 1
1 1701 . 16 1 1 A 142 142 ILE HA H 142 4.131 4.514 -0.383 1
1 1702 . 16 1 1 A 142 142 ILE CB C 142 38.703 39.600 -0.897 1
1 1715 . 16 1 1 A 142 142 ILE C C 142 175.399 175.155 0.244 1
1 1716 . 16 1 1 A 143 143 LYS N N 143 129.106 128.435 0.671 1
1 1717 . 16 1 1 A 143 143 LYS H H 143 8.588 9.054 -0.466 1
1 1718 . 16 1 1 A 143 143 LYS CA C 143 55.725 56.456 -0.731 1
1 1719 . 16 1 1 A 143 143 LYS HA H 143 4.444 4.588 -0.144 1
1 1720 . 16 1 1 A 143 143 LYS CB C 143 33.768 33.283 0.485 1
1 1732 . 16 1 1 A 143 143 LYS C C 143 174.820 175.540 -0.720 1
1 1733 . 16 1 1 A 144 144 ILE N N 144 122.496 126.762 -4.266 1
1 1734 . 16 1 1 A 144 144 ILE H H 144 7.884 8.537 -0.653 1
1 1735 . 16 1 1 A 144 144 ILE CA C 144 59.861 59.691 0.170 1
1 1736 . 16 1 1 A 144 144 ILE HA H 144 4.937 5.259 -0.322 1
1 1737 . 16 1 1 A 144 144 ILE CB C 144 40.518 41.701 -1.183 1
1 1750 . 16 1 1 A 144 144 ILE C C 144 175.232 174.878 0.354 1
1 1751 . 16 1 1 A 145 145 THR N N 145 126.667 122.163 4.504 1
1 1752 . 16 1 1 A 145 145 THR H H 145 9.100 8.335 0.765 1
1 1753 . 16 1 1 A 145 145 THR CA C 145 61.374 61.546 -0.172 1
1 1754 . 16 1 1 A 145 145 THR HA H 145 4.992 4.881 0.111 1
1 1755 . 16 1 1 A 145 145 THR CB C 145 68.907 72.851 -3.944 1
1 1761 . 16 1 1 A 145 145 THR C C 145 173.158 173.212 -0.054 1
1 1762 . 16 1 1 A 146 146 VAL N N 146 127.717 125.995 1.722 1
1 1763 . 16 1 1 A 146 146 VAL H H 146 8.818 8.950 -0.132 1
1 1764 . 16 1 1 A 146 146 VAL CA C 146 59.930 61.358 -1.428 1
1 1765 . 16 1 1 A 146 146 VAL HA H 146 5.053 4.720 0.333 1
1 1766 . 16 1 1 A 146 146 VAL CB C 146 32.906 32.420 0.486 1
1 1776 . 16 1 1 A 146 146 VAL C C 146 175.653 174.584 1.069 1
1 1777 . 16 1 1 A 147 147 TYR N N 147 129.304 126.976 2.328 1
1 1778 . 16 1 1 A 147 147 TYR H H 147 8.926 8.922 0.004 1
1 1779 . 16 1 1 A 147 147 TYR CA C 147 57.290 56.929 0.361 1
1 1780 . 16 1 1 A 147 147 TYR HA H 147 5.283 5.213 0.070 1
1 1781 . 16 1 1 A 147 147 TYR CB C 147 40.422 39.938 0.484 1
1 1792 . 16 1 1 A 147 147 TYR C C 147 177.250 175.399 1.851 1
1 1793 . 16 1 1 A 148 148 THR N N 148 116.883 115.036 1.847 1
1 1794 . 16 1 1 A 148 148 THR H H 148 8.607 9.120 -0.513 1
1 1795 . 16 1 1 A 148 148 THR CA C 148 61.560 60.518 1.042 1
1 1796 . 16 1 1 A 148 148 THR HA H 148 4.431 5.365 -0.934 1
1 1797 . 16 1 1 A 148 148 THR CB C 148 70.966 70.914 0.052 1
1 1803 . 16 1 1 A 148 148 THR C C 148 172.797 174.176 -1.379 1
1 1 . 17 1 1 A 5 5 SER CA C 5 58.376 56.972 1.404 1
1 2 . 17 1 1 A 5 5 SER HA H 5 4.528 4.720 -0.192 1
1 3 . 17 1 1 A 5 5 SER CB C 5 63.813 64.074 -0.261 1
1 5 . 17 1 1 A 5 5 SER C C 5 174.968 172.796 2.172 1
1 6 . 17 1 1 A 6 6 SER N N 6 117.996 117.562 0.434 1
1 7 . 17 1 1 A 6 6 SER H H 6 8.503 7.901 0.602 1
1 8 . 17 1 1 A 6 6 SER CA C 6 58.642 57.611 1.031 1
1 9 . 17 1 1 A 6 6 SER HA H 6 4.526 4.897 -0.371 1
1 10 . 17 1 1 A 6 6 SER CB C 6 63.855 65.605 -1.750 1
1 13 . 17 1 1 A 6 6 SER C C 6 175.129 173.939 1.190 1
1 14 . 17 1 1 A 7 7 GLY N N 7 110.904 114.616 -3.712 1
1 15 . 17 1 1 A 7 7 GLY H H 7 8.470 8.382 0.088 1
1 16 . 17 1 1 A 7 7 GLY CA C 7 45.430 45.405 0.025 1
1 17 . 17 1 1 A 7 7 GLY HA2 H 7 4.030 3.977 0.053 1
1 18 . 17 1 1 A 7 7 GLY HA3 H 7 4.030 3.980 0.050 1
1 19 . 17 1 1 A 7 7 GLY C C 7 174.606 175.013 -0.407 1
1 20 . 17 1 1 A 8 8 GLY N N 8 108.942 109.285 -0.343 1
1 21 . 17 1 1 A 8 8 GLY H H 8 8.286 8.296 -0.010 1
1 22 . 17 1 1 A 8 8 GLY CA C 8 45.058 46.854 -1.796 1
1 23 . 17 1 1 A 8 8 GLY HA2 H 8 4.027 3.923 0.104 1
1 24 . 17 1 1 A 8 8 GLY HA3 H 8 4.199 3.924 0.275 1
1 25 . 17 1 1 A 8 8 GLY C C 8 173.943 174.732 -0.789 1
1 26 . 17 1 1 A 9 9 SER N N 9 115.435 115.067 0.368 1
1 27 . 17 1 1 A 9 9 SER H H 9 8.275 8.137 0.138 1
1 28 . 17 1 1 A 9 9 SER CA C 9 57.847 57.987 -0.140 1
1 29 . 17 1 1 A 9 9 SER HA H 9 4.616 4.737 -0.121 1
1 30 . 17 1 1 A 9 9 SER CB C 9 64.102 64.732 -0.630 1
1 33 . 17 1 1 A 9 9 SER C C 9 174.962 173.772 1.190 1
1 34 . 17 1 1 A 10 10 ARG N N 10 126.156 121.197 4.959 1
1 35 . 17 1 1 A 10 10 ARG H H 10 9.427 8.733 0.694 1
1 36 . 17 1 1 A 10 10 ARG CA C 10 56.662 56.815 -0.153 1
1 37 . 17 1 1 A 10 10 ARG HA H 10 4.332 4.514 -0.182 1
1 38 . 17 1 1 A 10 10 ARG CB C 10 30.289 32.117 -1.828 1
1 49 . 17 1 1 A 10 10 ARG C C 10 175.504 176.564 -1.060 1
1 50 . 17 1 1 A 11 11 ILE N N 11 119.127 121.154 -2.027 1
1 51 . 17 1 1 A 11 11 ILE H H 11 8.176 7.358 0.818 1
1 52 . 17 1 1 A 11 11 ILE CA C 11 61.153 62.422 -1.269 1
1 53 . 17 1 1 A 11 11 ILE HA H 11 4.553 3.878 0.675 1
1 54 . 17 1 1 A 11 11 ILE CB C 11 39.949 37.874 2.075 1
1 67 . 17 1 1 A 11 11 ILE C C 11 176.134 175.282 0.852 1
1 68 . 17 1 1 A 12 12 THR N N 12 124.682 122.504 2.178 1
1 69 . 17 1 1 A 12 12 THR H H 12 8.534 8.607 -0.073 1
1 70 . 17 1 1 A 12 12 THR CA C 12 61.630 61.042 0.588 1
1 71 . 17 1 1 A 12 12 THR HA H 12 4.359 4.650 -0.291 1
1 72 . 17 1 1 A 12 12 THR CB C 12 70.705 71.115 -0.410 1
1 78 . 17 1 1 A 12 12 THR C C 12 171.804 173.217 -1.413 1
1 79 . 17 1 1 A 13 13 TYR N N 13 124.043 125.632 -1.589 1
1 80 . 17 1 1 A 13 13 TYR H H 13 8.691 8.621 0.070 1
1 81 . 17 1 1 A 13 13 TYR CA C 13 57.846 57.386 0.460 1
1 82 . 17 1 1 A 13 13 TYR HA H 13 5.099 5.446 -0.347 1
1 83 . 17 1 1 A 13 13 TYR CB C 13 39.895 39.865 0.030 1
1 94 . 17 1 1 A 13 13 TYR C C 13 175.924 175.780 0.144 1
1 95 . 17 1 1 A 14 14 VAL N N 14 124.012 122.572 1.440 1
1 96 . 17 1 1 A 14 14 VAL H H 14 8.633 8.850 -0.217 1
1 97 . 17 1 1 A 14 14 VAL CA C 14 60.958 60.038 0.920 1
1 98 . 17 1 1 A 14 14 VAL HA H 14 4.015 4.697 -0.682 1
1 99 . 17 1 1 A 14 14 VAL CB C 14 35.416 34.685 0.731 1
1 109 . 17 1 1 A 14 14 VAL C C 14 173.974 173.485 0.489 1
1 110 . 17 1 1 A 15 15 LYS N N 15 127.960 125.965 1.995 1
1 111 . 17 1 1 A 15 15 LYS H H 15 8.318 8.726 -0.408 1
1 112 . 17 1 1 A 15 15 LYS CA C 15 54.152 54.868 -0.716 1
1 113 . 17 1 1 A 15 15 LYS HA H 15 5.126 5.094 0.032 1
1 114 . 17 1 1 A 15 15 LYS CB C 15 32.086 34.751 -2.665 1
1 126 . 17 1 1 A 15 15 LYS C C 15 176.050 175.227 0.823 1
1 127 . 17 1 1 A 16 16 GLY N N 16 114.545 112.372 2.173 1
1 128 . 17 1 1 A 16 16 GLY H H 16 8.508 8.341 0.167 1
1 129 . 17 1 1 A 16 16 GLY CA C 16 45.006 43.760 1.246 1
1 130 . 17 1 1 A 16 16 GLY HA2 H 16 4.028 4.123 -0.095 1
1 131 . 17 1 1 A 16 16 GLY HA3 H 16 4.197 4.149 0.048 1
1 132 . 17 1 1 A 16 16 GLY C C 16 170.957 172.982 -2.025 1
1 133 . 17 1 1 A 17 17 ASP N N 17 119.423 120.420 -0.997 1
1 134 . 17 1 1 A 17 17 ASP H H 17 8.271 8.391 -0.120 1
1 135 . 17 1 1 A 17 17 ASP CA C 17 53.164 54.427 -1.263 1
1 136 . 17 1 1 A 17 17 ASP HA H 17 4.407 4.464 -0.057 1
1 137 . 17 1 1 A 17 17 ASP CB C 17 41.912 41.427 0.485 1
1 140 . 17 1 1 A 17 17 ASP C C 17 176.089 176.396 -0.307 1
1 141 . 17 1 1 A 18 18 LEU N N 18 130.056 123.905 6.151 1
1 142 . 17 1 1 A 18 18 LEU H H 18 8.304 8.653 -0.349 1
1 143 . 17 1 1 A 18 18 LEU CA C 18 57.156 55.982 1.174 1
1 144 . 17 1 1 A 18 18 LEU HA H 18 2.425 3.839 -1.414 1
1 145 . 17 1 1 A 18 18 LEU CB C 18 42.959 43.374 -0.415 1
1 158 . 17 1 1 A 18 18 LEU C C 18 175.737 178.056 -2.319 1
1 159 . 17 1 1 A 19 19 PHE N N 19 109.678 116.891 -7.213 1
1 160 . 17 1 1 A 19 19 PHE H H 19 7.461 7.301 0.160 1
1 161 . 17 1 1 A 19 19 PHE CA C 19 59.844 59.516 0.328 1
1 162 . 17 1 1 A 19 19 PHE HA H 19 3.920 4.398 -0.478 1
1 163 . 17 1 1 A 19 19 PHE CB C 19 36.735 40.546 -3.811 1
1 176 . 17 1 1 A 19 19 PHE C C 19 175.833 177.099 -1.266 1
1 177 . 17 1 1 A 20 20 ALA N N 20 123.506 121.925 1.581 1
1 178 . 17 1 1 A 20 20 ALA H H 20 7.752 7.813 -0.061 1
1 179 . 17 1 1 A 20 20 ALA CA C 20 51.160 54.578 -3.418 1
1 180 . 17 1 1 A 20 20 ALA HA H 20 4.518 4.253 0.265 1
1 181 . 17 1 1 A 20 20 ALA CB C 20 18.395 18.833 -0.438 1
1 185 . 17 1 1 A 20 20 ALA C C 20 176.772 179.225 -2.453 1
1 186 . 17 1 1 A 21 21 CYS N N 21 118.823 116.760 2.063 1
1 187 . 17 1 1 A 21 21 CYS H H 21 7.225 7.925 -0.700 1
1 188 . 17 1 1 A 21 21 CYS CA C 21 56.813 63.294 -6.481 1
1 189 . 17 1 1 A 21 21 CYS HA H 21 4.580 4.224 0.356 1
1 190 . 17 1 1 A 21 21 CYS CB C 21 25.916 26.660 -0.744 1
1 193 . 17 1 1 A 21 21 CYS C C 21 170.919 174.765 -3.846 1
1 194 . 17 1 1 A 22 22 PRO CA C 22 64.000 62.975 1.025 1
1 195 . 17 1 1 A 22 22 PRO HA H 22 4.373 4.610 -0.237 1
1 196 . 17 1 1 A 22 22 PRO CB C 22 31.802 32.287 -0.485 1
1 205 . 17 1 1 A 22 22 PRO C C 22 178.609 176.693 1.916 1
1 206 . 17 1 1 A 23 23 LYS N N 23 122.870 121.197 1.673 1
1 207 . 17 1 1 A 23 23 LYS H H 23 8.785 8.981 -0.196 1
1 208 . 17 1 1 A 23 23 LYS CA C 23 58.671 57.267 1.404 1
1 209 . 17 1 1 A 23 23 LYS HA H 23 4.103 4.429 -0.326 1
1 210 . 17 1 1 A 23 23 LYS CB C 23 32.078 34.323 -2.245 1
1 222 . 17 1 1 A 23 23 LYS C C 23 175.722 176.525 -0.803 1
1 223 . 17 1 1 A 24 24 THR N N 24 102.744 111.948 -9.204 1
1 224 . 17 1 1 A 24 24 THR H H 24 7.097 8.092 -0.995 1
1 225 . 17 1 1 A 24 24 THR CA C 24 61.064 62.242 -1.178 1
1 226 . 17 1 1 A 24 24 THR HA H 24 4.166 4.610 -0.444 1
1 227 . 17 1 1 A 24 24 THR CB C 24 68.805 71.655 -2.850 1
1 233 . 17 1 1 A 24 24 THR C C 24 176.216 174.304 1.912 1
1 234 . 17 1 1 A 25 25 ASP N N 25 125.303 122.746 2.557 1
1 235 . 17 1 1 A 25 25 ASP H H 25 7.768 7.712 0.056 1
1 236 . 17 1 1 A 25 25 ASP CA C 25 55.246 55.085 0.161 1
1 237 . 17 1 1 A 25 25 ASP HA H 25 4.536 4.494 0.042 1
1 238 . 17 1 1 A 25 25 ASP CB C 25 40.321 41.117 -0.796 1
1 241 . 17 1 1 A 25 25 ASP C C 25 177.718 175.659 2.059 1
1 242 . 17 1 1 A 26 26 SER N N 26 118.303 118.341 -0.038 1
1 243 . 17 1 1 A 26 26 SER H H 26 8.472 8.551 -0.079 1
1 244 . 17 1 1 A 26 26 SER CA C 26 61.547 57.561 3.986 1
1 245 . 17 1 1 A 26 26 SER HA H 26 5.138 4.920 0.218 1
1 246 . 17 1 1 A 26 26 SER CB C 26 65.326 65.468 -0.142 1
1 249 . 17 1 1 A 26 26 SER C C 26 172.446 173.335 -0.889 1
1 250 . 17 1 1 A 27 27 LEU N N 27 121.957 121.834 0.123 1
1 251 . 17 1 1 A 27 27 LEU H H 27 8.553 8.169 0.384 1
1 252 . 17 1 1 A 27 27 LEU CA C 27 53.919 53.421 0.498 1
1 253 . 17 1 1 A 27 27 LEU HA H 27 6.004 5.786 0.218 1
1 254 . 17 1 1 A 27 27 LEU CB C 27 48.728 45.836 2.892 1
1 267 . 17 1 1 A 27 27 LEU C C 27 176.071 175.963 0.108 1
1 268 . 17 1 1 A 28 28 ALA N N 28 119.120 122.202 -3.082 1
1 269 . 17 1 1 A 28 28 ALA H H 28 8.083 8.145 -0.062 1
1 270 . 17 1 1 A 28 28 ALA CA C 28 50.738 51.784 -1.046 1
1 271 . 17 1 1 A 28 28 ALA HA H 28 5.833 5.353 0.480 1
1 272 . 17 1 1 A 28 28 ALA CB C 28 24.493 21.438 3.055 1
1 276 . 17 1 1 A 28 28 ALA C C 28 174.396 175.539 -1.143 1
1 277 . 17 1 1 A 29 29 HIS N N 29 111.296 122.839 -11.543 1
1 278 . 17 1 1 A 29 29 HIS H H 29 8.042 8.675 -0.633 1
1 279 . 17 1 1 A 29 29 HIS CA C 29 55.617 54.718 0.899 1
1 280 . 17 1 1 A 29 29 HIS HA H 29 4.552 5.109 -0.557 1
1 281 . 17 1 1 A 29 29 HIS CB C 29 31.644 33.049 -1.405 1
1 288 . 17 1 1 A 29 29 HIS C C 29 172.453 173.187 -0.734 1
1 289 . 17 1 1 A 30 30 CYS N N 30 115.842 119.790 -3.948 1
1 290 . 17 1 1 A 30 30 CYS H H 30 8.182 7.539 0.643 1
1 291 . 17 1 1 A 30 30 CYS CA C 30 57.610 56.959 0.651 1
1 292 . 17 1 1 A 30 30 CYS HA H 30 5.489 5.676 -0.187 1
1 293 . 17 1 1 A 30 30 CYS CB C 30 30.518 29.842 0.676 1
1 296 . 17 1 1 A 30 30 CYS C C 30 175.085 173.936 1.149 1
1 297 . 17 1 1 A 31 31 ILE N N 31 117.447 120.685 -3.238 1
1 298 . 17 1 1 A 31 31 ILE H H 31 9.209 8.720 0.489 1
1 299 . 17 1 1 A 31 31 ILE CA C 31 60.057 58.764 1.293 1
1 300 . 17 1 1 A 31 31 ILE HA H 31 4.816 5.080 -0.264 1
1 301 . 17 1 1 A 31 31 ILE CB C 31 43.206 42.507 0.699 1
1 314 . 17 1 1 A 31 31 ILE C C 31 173.249 174.481 -1.232 1
1 315 . 17 1 1 A 32 32 SER N N 32 111.596 119.253 -7.657 1
1 316 . 17 1 1 A 32 32 SER H H 32 7.858 8.875 -1.017 1
1 317 . 17 1 1 A 32 32 SER CA C 32 55.599 57.626 -2.027 1
1 318 . 17 1 1 A 32 32 SER HA H 32 5.139 4.741 0.398 1
1 319 . 17 1 1 A 32 32 SER CB C 32 66.377 64.555 1.822 1
1 322 . 17 1 1 A 32 32 SER C C 32 176.120 175.803 0.317 1
1 323 . 17 1 1 A 33 33 GLU N N 33 118.525 124.212 -5.687 1
1 324 . 17 1 1 A 33 33 GLU H H 33 8.189 8.923 -0.734 1
1 325 . 17 1 1 A 33 33 GLU CA C 33 59.273 59.654 -0.381 1
1 326 . 17 1 1 A 33 33 GLU HA H 33 3.759 3.949 -0.190 1
1 327 . 17 1 1 A 33 33 GLU CB C 33 30.553 29.368 1.185 1
1 333 . 17 1 1 A 33 33 GLU C C 33 177.446 177.589 -0.143 1
1 334 . 17 1 1 A 34 34 ASP N N 34 113.498 116.653 -3.155 1
1 335 . 17 1 1 A 34 34 ASP H H 34 7.480 7.445 0.035 1
1 336 . 17 1 1 A 34 34 ASP CA C 34 54.511 53.932 0.579 1
1 337 . 17 1 1 A 34 34 ASP HA H 34 4.342 4.747 -0.405 1
1 338 . 17 1 1 A 34 34 ASP CB C 34 40.374 40.740 -0.366 1
1 341 . 17 1 1 A 34 34 ASP C C 34 175.854 174.754 1.100 1
1 342 . 17 1 1 A 35 35 CYS N N 35 111.837 115.645 -3.808 1
1 343 . 17 1 1 A 35 35 CYS H H 35 8.327 8.171 0.156 1
1 344 . 17 1 1 A 35 35 CYS CA C 35 61.093 60.181 0.912 1
1 345 . 17 1 1 A 35 35 CYS HA H 35 3.772 4.086 -0.314 1
1 346 . 17 1 1 A 35 35 CYS CB C 35 25.679 26.125 -0.446 1
1 349 . 17 1 1 A 35 35 CYS C C 35 173.370 173.873 -0.503 1
1 350 . 17 1 1 A 36 36 ARG N N 36 117.440 120.598 -3.158 1
1 351 . 17 1 1 A 36 36 ARG H H 36 7.473 8.255 -0.782 1
1 352 . 17 1 1 A 36 36 ARG CA C 36 57.988 54.959 3.029 1
1 353 . 17 1 1 A 36 36 ARG HA H 36 3.981 4.558 -0.577 1
1 354 . 17 1 1 A 36 36 ARG CB C 36 30.430 28.656 1.774 1
1 363 . 17 1 1 A 36 36 ARG C C 36 177.233 176.449 0.784 1
1 364 . 17 1 1 A 37 37 MET CA C 37 56.118 53.902 2.216 1
1 365 . 17 1 1 A 37 37 MET HA H 37 4.036 4.928 -0.892 1
1 373 . 17 1 1 A 38 38 GLY H H 38 8.192 8.226 -0.034 1
1 374 . 17 1 1 A 38 38 GLY CA C 38 45.670 46.119 -0.449 1
1 375 . 17 1 1 A 38 38 GLY HA2 H 38 4.220 3.970 0.250 1
1 376 . 17 1 1 A 38 38 GLY HA3 H 38 3.595 3.980 -0.385 1
1 377 . 17 1 1 A 38 38 GLY C C 38 173.799 173.506 0.293 1
1 378 . 17 1 1 A 39 39 ALA N N 39 122.002 122.591 -0.589 1
1 379 . 17 1 1 A 39 39 ALA H H 39 7.697 7.829 -0.132 1
1 380 . 17 1 1 A 39 39 ALA CA C 39 51.019 51.684 -0.665 1
1 381 . 17 1 1 A 39 39 ALA HA H 39 4.678 4.731 -0.053 1
1 382 . 17 1 1 A 39 39 ALA CB C 39 22.608 22.268 0.340 1
1 386 . 17 1 1 A 39 39 ALA C C 39 176.769 176.764 0.005 1
1 387 . 17 1 1 A 40 40 GLY N N 40 107.149 112.923 -5.774 1
1 388 . 17 1 1 A 40 40 GLY H H 40 8.731 8.958 -0.227 1
1 389 . 17 1 1 A 40 40 GLY CA C 40 45.768 45.247 0.521 1
1 390 . 17 1 1 A 40 40 GLY HA2 H 40 3.957 4.021 -0.064 1
1 391 . 17 1 1 A 40 40 GLY HA3 H 40 4.220 4.026 0.194 1
1 392 . 17 1 1 A 40 40 GLY C C 40 176.747 175.199 1.548 1
1 393 . 17 1 1 A 41 41 ILE CA C 41 63.397 63.360 0.037 1
1 394 . 17 1 1 A 41 41 ILE HA H 41 4.312 3.991 0.321 1
1 395 . 17 1 1 A 41 41 ILE CB C 41 38.794 37.893 0.901 1
1 408 . 17 1 1 A 41 41 ILE C C 41 177.249 178.055 -0.806 1
1 409 . 17 1 1 A 42 42 ALA N N 42 124.835 123.202 1.633 1
1 410 . 17 1 1 A 42 42 ALA H H 42 8.629 8.338 0.291 1
1 411 . 17 1 1 A 42 42 ALA CA C 42 55.599 55.372 0.227 1
1 412 . 17 1 1 A 42 42 ALA HA H 42 4.377 3.883 0.494 1
1 413 . 17 1 1 A 42 42 ALA CB C 42 18.155 18.308 -0.153 1
1 417 . 17 1 1 A 42 42 ALA C C 42 179.079 180.550 -1.471 1
1 418 . 17 1 1 A 43 43 VAL N N 43 116.015 118.952 -2.937 1
1 419 . 17 1 1 A 43 43 VAL H H 43 7.363 8.118 -0.755 1
1 420 . 17 1 1 A 43 43 VAL CA C 43 65.623 67.117 -1.494 1
1 421 . 17 1 1 A 43 43 VAL HA H 43 3.822 3.704 0.118 1
1 422 . 17 1 1 A 43 43 VAL CB C 43 32.408 31.651 0.757 1
1 432 . 17 1 1 A 43 43 VAL C C 43 178.285 178.325 -0.040 1
1 433 . 17 1 1 A 44 44 LEU N N 44 119.736 118.827 0.909 1
1 434 . 17 1 1 A 44 44 LEU H H 44 7.357 8.161 -0.804 1
1 435 . 17 1 1 A 44 44 LEU CA C 44 57.460 57.957 -0.497 1
1 436 . 17 1 1 A 44 44 LEU HA H 44 3.968 3.858 0.110 1
1 437 . 17 1 1 A 44 44 LEU CB C 44 41.234 41.649 -0.415 1
1 450 . 17 1 1 A 44 44 LEU C C 44 179.972 179.047 0.925 1
1 451 . 17 1 1 A 45 45 PHE N N 45 118.434 117.737 0.697 1
1 452 . 17 1 1 A 45 45 PHE H H 45 7.733 7.906 -0.173 1
1 453 . 17 1 1 A 45 45 PHE CA C 45 63.151 61.791 1.360 1
1 454 . 17 1 1 A 45 45 PHE HA H 45 4.009 4.480 -0.471 1
1 455 . 17 1 1 A 45 45 PHE CB C 45 39.883 38.148 1.735 1
1 468 . 17 1 1 A 45 45 PHE C C 45 180.448 178.494 1.954 1
1 469 . 17 1 1 A 46 46 LYS N N 46 124.749 121.868 2.881 1
1 470 . 17 1 1 A 46 46 LYS H H 46 8.819 8.835 -0.016 1
1 471 . 17 1 1 A 46 46 LYS CA C 46 60.958 59.014 1.944 1
1 472 . 17 1 1 A 46 46 LYS HA H 46 4.160 4.248 -0.088 1
1 473 . 17 1 1 A 46 46 LYS CB C 46 31.930 32.129 -0.199 1
1 485 . 17 1 1 A 46 46 LYS C C 46 179.139 178.245 0.894 1
1 486 . 17 1 1 A 47 47 LYS N N 47 119.317 118.354 0.963 1
1 487 . 17 1 1 A 47 47 LYS H H 47 8.154 8.087 0.067 1
1 488 . 17 1 1 A 47 47 LYS CA C 47 59.331 58.962 0.369 1
1 489 . 17 1 1 A 47 47 LYS HA H 47 3.939 4.126 -0.187 1
1 490 . 17 1 1 A 47 47 LYS CB C 47 33.065 32.748 0.317 1
1 502 . 17 1 1 A 47 47 LYS C C 47 178.108 178.734 -0.626 1
1 503 . 17 1 1 A 48 48 LYS N N 48 116.005 119.270 -3.265 1
1 504 . 17 1 1 A 48 48 LYS H H 48 7.976 8.221 -0.245 1
1 505 . 17 1 1 A 48 48 LYS CA C 48 58.650 58.441 0.209 1
1 506 . 17 1 1 A 48 48 LYS HA H 48 3.684 3.864 -0.180 1
1 507 . 17 1 1 A 48 48 LYS CB C 48 32.372 32.489 -0.117 1
1 519 . 17 1 1 A 48 48 LYS C C 48 178.213 177.785 0.428 1
1 520 . 17 1 1 A 49 49 PHE N N 49 112.629 114.172 -1.543 1
1 521 . 17 1 1 A 49 49 PHE H H 49 7.658 7.450 0.208 1
1 522 . 17 1 1 A 49 49 PHE CA C 49 56.958 59.680 -2.722 1
1 523 . 17 1 1 A 49 49 PHE HA H 49 5.028 4.543 0.485 1
1 524 . 17 1 1 A 49 49 PHE CB C 49 40.496 40.324 0.172 1
1 537 . 17 1 1 A 49 49 PHE C C 49 176.188 176.901 -0.713 1
1 538 . 17 1 1 A 50 50 GLY N N 50 108.499 107.930 0.569 1
1 539 . 17 1 1 A 50 50 GLY H H 50 7.821 8.661 -0.840 1
1 540 . 17 1 1 A 50 50 GLY CA C 50 46.579 47.027 -0.448 1
1 541 . 17 1 1 A 50 50 GLY HA2 H 50 3.953 3.975 -0.022 1
1 542 . 17 1 1 A 50 50 GLY HA3 H 50 3.953 4.009 -0.056 1
1 543 . 17 1 1 A 50 50 GLY C C 50 174.288 175.734 -1.446 1
1 544 . 17 1 1 A 51 51 GLY N N 51 108.968 109.363 -0.395 1
1 545 . 17 1 1 A 51 51 GLY H H 51 8.600 8.273 0.327 1
1 546 . 17 1 1 A 51 51 GLY CA C 51 46.597 47.103 -0.506 1
1 547 . 17 1 1 A 51 51 GLY HA2 H 51 3.943 3.873 0.070 1
1 548 . 17 1 1 A 51 51 GLY HA3 H 51 4.047 3.882 0.165 1
1 549 . 17 1 1 A 51 51 GLY C C 51 174.522 175.574 -1.052 1
1 550 . 17 1 1 A 52 52 VAL N N 52 118.929 119.985 -1.056 1
1 551 . 17 1 1 A 52 52 VAL H H 52 7.980 8.025 -0.045 1
1 552 . 17 1 1 A 52 52 VAL CA C 52 68.080 65.568 2.512 1
1 553 . 17 1 1 A 52 52 VAL HA H 52 3.334 3.589 -0.255 1
1 554 . 17 1 1 A 52 52 VAL CB C 52 31.150 31.480 -0.330 1
1 564 . 17 1 1 A 52 52 VAL C C 52 177.566 177.871 -0.305 1
1 565 . 17 1 1 A 53 53 GLN N N 53 116.880 121.738 -4.858 1
1 566 . 17 1 1 A 53 53 GLN H H 53 8.513 8.018 0.495 1
1 567 . 17 1 1 A 53 53 GLN CA C 53 58.730 59.139 -0.409 1
1 568 . 17 1 1 A 53 53 GLN HA H 53 3.946 3.921 0.025 1
1 569 . 17 1 1 A 53 53 GLN CB C 53 28.098 28.268 -0.170 1
1 578 . 17 1 1 A 53 53 GLN C C 53 177.916 178.192 -0.276 1
1 579 . 17 1 1 A 54 54 GLU N N 54 119.584 119.668 -0.084 1
1 580 . 17 1 1 A 54 54 GLU H H 54 7.525 8.130 -0.605 1
1 581 . 17 1 1 A 54 54 GLU CA C 54 59.754 58.983 0.771 1
1 582 . 17 1 1 A 54 54 GLU HA H 54 3.980 4.031 -0.051 1
1 583 . 17 1 1 A 54 54 GLU CB C 54 29.509 29.350 0.159 1
1 589 . 17 1 1 A 54 54 GLU C C 54 180.168 179.100 1.068 1
1 590 . 17 1 1 A 55 55 LEU N N 55 121.130 120.562 0.568 1
1 591 . 17 1 1 A 55 55 LEU H H 55 8.437 7.899 0.538 1
1 592 . 17 1 1 A 55 55 LEU CA C 55 58.005 57.721 0.284 1
1 593 . 17 1 1 A 55 55 LEU HA H 55 3.870 3.938 -0.068 1
1 594 . 17 1 1 A 55 55 LEU CB C 55 42.588 41.616 0.972 1
1 607 . 17 1 1 A 55 55 LEU C C 55 180.835 179.292 1.543 1
1 608 . 17 1 1 A 56 56 LEU N N 56 123.508 118.184 5.324 1
1 609 . 17 1 1 A 56 56 LEU H H 56 8.664 8.255 0.409 1
1 610 . 17 1 1 A 56 56 LEU CA C 56 58.397 57.899 0.498 1
1 611 . 17 1 1 A 56 56 LEU HA H 56 3.972 3.896 0.076 1
1 612 . 17 1 1 A 56 56 LEU CB C 56 42.087 41.440 0.647 1
1 625 . 17 1 1 A 56 56 LEU C C 56 181.257 179.350 1.907 1
1 626 . 17 1 1 A 57 57 ASN N N 57 116.946 118.215 -1.269 1
1 627 . 17 1 1 A 57 57 ASN H H 57 8.334 8.396 -0.062 1
1 628 . 17 1 1 A 57 57 ASN CA C 57 54.627 56.423 -1.796 1
1 629 . 17 1 1 A 57 57 ASN HA H 57 4.566 4.361 0.205 1
1 630 . 17 1 1 A 57 57 ASN CB C 57 38.170 38.029 0.141 1
1 636 . 17 1 1 A 57 57 ASN C C 57 176.756 178.382 -1.626 1
1 637 . 17 1 1 A 58 58 GLN N N 58 118.214 117.230 0.984 1
1 638 . 17 1 1 A 58 58 GLN H H 58 7.670 7.732 -0.062 1
1 639 . 17 1 1 A 58 58 GLN CA C 58 58.022 57.652 0.370 1
1 640 . 17 1 1 A 58 58 GLN HA H 58 4.184 4.186 -0.002 1
1 641 . 17 1 1 A 58 58 GLN CB C 58 28.460 28.875 -0.415 1
1 650 . 17 1 1 A 58 58 GLN C C 58 175.792 175.773 0.019 1
1 651 . 17 1 1 A 59 59 GLN N N 59 114.113 116.193 -2.080 1
1 652 . 17 1 1 A 59 59 GLN H H 59 7.825 8.019 -0.194 1
1 653 . 17 1 1 A 59 59 GLN CA C 59 56.584 56.911 -0.327 1
1 654 . 17 1 1 A 59 59 GLN HA H 59 4.015 3.873 0.142 1
1 655 . 17 1 1 A 59 59 GLN CB C 59 26.829 26.390 0.439 1
1 664 . 17 1 1 A 59 59 GLN C C 59 175.049 175.108 -0.059 1
1 665 . 17 1 1 A 60 60 LYS N N 60 118.472 118.754 -0.282 1
1 666 . 17 1 1 A 60 60 LYS H H 60 9.134 8.008 1.126 1
1 667 . 17 1 1 A 60 60 LYS CA C 60 54.005 56.969 -2.964 1
1 668 . 17 1 1 A 60 60 LYS HA H 60 4.458 4.246 0.212 1
1 669 . 17 1 1 A 60 60 LYS CB C 60 32.573 33.794 -1.221 1
1 681 . 17 1 1 A 60 60 LYS C C 60 176.936 175.159 1.777 1
1 682 . 17 1 1 A 61 61 LYS N N 61 121.877 119.467 2.410 1
1 683 . 17 1 1 A 61 61 LYS H H 61 9.069 8.837 0.232 1
1 684 . 17 1 1 A 61 61 LYS CA C 61 53.421 54.538 -1.117 1
1 685 . 17 1 1 A 61 61 LYS HA H 61 4.517 4.804 -0.287 1
1 686 . 17 1 1 A 61 61 LYS CB C 61 35.816 36.219 -0.403 1
1 698 . 17 1 1 A 61 61 LYS C C 61 175.049 176.174 -1.125 1
1 699 . 17 1 1 A 62 62 SER N N 62 114.153 119.641 -5.488 1
1 700 . 17 1 1 A 62 62 SER H H 62 8.524 8.784 -0.260 1
1 701 . 17 1 1 A 62 62 SER CA C 62 60.959 60.460 0.499 1
1 702 . 17 1 1 A 62 62 SER HA H 62 3.954 4.334 -0.380 1
1 703 . 17 1 1 A 62 62 SER CB C 62 64.374 62.872 1.502 1
1 706 . 17 1 1 A 62 62 SER C C 62 175.660 175.520 0.140 1
1 707 . 17 1 1 A 63 63 GLY N N 63 111.615 113.617 -2.002 1
1 708 . 17 1 1 A 63 63 GLY H H 63 9.308 9.061 0.247 1
1 709 . 17 1 1 A 63 63 GLY CA C 63 44.971 45.159 -0.188 1
1 710 . 17 1 1 A 63 63 GLY HA2 H 63 4.188 3.993 0.195 1
1 711 . 17 1 1 A 63 63 GLY HA3 H 63 4.188 3.995 0.193 1
1 712 . 17 1 1 A 63 63 GLY C C 63 172.420 174.734 -2.314 1
1 713 . 17 1 1 A 64 64 GLU N N 64 117.287 120.182 -2.895 1
1 714 . 17 1 1 A 64 64 GLU H H 64 7.909 8.051 -0.142 1
1 715 . 17 1 1 A 64 64 GLU CA C 64 53.972 55.380 -1.408 1
1 716 . 17 1 1 A 64 64 GLU HA H 64 4.549 4.741 -0.192 1
1 717 . 17 1 1 A 64 64 GLU CB C 64 32.449 32.082 0.367 1
1 723 . 17 1 1 A 64 64 GLU C C 64 174.611 174.998 -0.387 1
1 724 . 17 1 1 A 65 65 VAL N N 65 118.093 120.943 -2.850 1
1 725 . 17 1 1 A 65 65 VAL H H 65 8.337 8.838 -0.501 1
1 726 . 17 1 1 A 65 65 VAL CA C 65 59.380 59.643 -0.263 1
1 727 . 17 1 1 A 65 65 VAL HA H 65 5.149 4.966 0.183 1
1 728 . 17 1 1 A 65 65 VAL CB C 65 35.892 35.829 0.063 1
1 738 . 17 1 1 A 65 65 VAL C C 65 172.013 173.382 -1.369 1
1 739 . 17 1 1 A 66 66 ALA N N 66 130.790 129.608 1.182 1
1 740 . 17 1 1 A 66 66 ALA H H 66 8.876 8.531 0.345 1
1 741 . 17 1 1 A 66 66 ALA CA C 66 50.170 50.276 -0.106 1
1 742 . 17 1 1 A 66 66 ALA HA H 66 4.879 5.396 -0.517 1
1 743 . 17 1 1 A 66 66 ALA CB C 66 21.291 21.798 -0.507 1
1 747 . 17 1 1 A 66 66 ALA C C 66 175.997 176.140 -0.143 1
1 748 . 17 1 1 A 67 67 VAL N N 67 119.453 121.770 -2.317 1
1 749 . 17 1 1 A 67 67 VAL H H 67 8.615 8.584 0.031 1
1 750 . 17 1 1 A 67 67 VAL CA C 67 61.078 61.133 -0.055 1
1 751 . 17 1 1 A 67 67 VAL HA H 67 5.255 5.098 0.157 1
1 752 . 17 1 1 A 67 67 VAL CB C 67 36.283 33.931 2.352 1
1 762 . 17 1 1 A 67 67 VAL C C 67 176.213 174.757 1.456 1
1 763 . 17 1 1 A 68 68 LEU N N 68 126.404 127.856 -1.452 1
1 764 . 17 1 1 A 68 68 LEU H H 68 9.013 8.533 0.480 1
1 765 . 17 1 1 A 68 68 LEU CA C 68 53.424 53.901 -0.477 1
1 766 . 17 1 1 A 68 68 LEU HA H 68 4.809 5.016 -0.207 1
1 767 . 17 1 1 A 68 68 LEU CB C 68 46.473 46.106 0.367 1
1 780 . 17 1 1 A 68 68 LEU C C 68 174.704 174.128 0.576 1
1 781 . 17 1 1 A 69 69 LYS N N 69 123.462 127.439 -3.977 1
1 782 . 17 1 1 A 69 69 LYS H H 69 8.756 8.814 -0.058 1
1 783 . 17 1 1 A 69 69 LYS CA C 69 55.228 55.080 0.148 1
1 784 . 17 1 1 A 69 69 LYS HA H 69 4.791 5.276 -0.485 1
1 785 . 17 1 1 A 69 69 LYS CB C 69 33.820 34.104 -0.284 1
1 797 . 17 1 1 A 69 69 LYS C C 69 177.387 175.276 2.111 1
1 798 . 17 1 1 A 70 70 ARG N N 70 127.852 126.388 1.464 1
1 799 . 17 1 1 A 70 70 ARG H H 70 8.688 8.216 0.472 1
1 800 . 17 1 1 A 70 70 ARG CA C 70 52.929 57.289 -4.360 1
1 801 . 17 1 1 A 70 70 ARG CB C 70 34.028 31.815 2.213 1
1 809 . 17 1 1 A 70 70 ARG C C 70 175.460 175.453 0.007 1
1 810 . 17 1 1 A 71 71 ASP CA C 71 55.193 52.830 2.363 1
1 811 . 17 1 1 A 71 71 ASP HA H 71 4.268 4.889 -0.621 1
1 812 . 17 1 1 A 71 71 ASP CB C 71 40.326 39.785 0.541 1
1 815 . 17 1 1 A 71 71 ASP C C 71 175.970 176.508 -0.538 1
1 816 . 17 1 1 A 72 72 GLY N N 72 104.319 112.586 -8.267 1
1 817 . 17 1 1 A 72 72 GLY H H 72 8.642 8.440 0.202 1
1 818 . 17 1 1 A 72 72 GLY CA C 72 45.692 46.912 -1.220 1
1 819 . 17 1 1 A 72 72 GLY HA2 H 72 4.062 3.866 0.196 1
1 820 . 17 1 1 A 72 72 GLY HA3 H 72 3.516 3.873 -0.357 1
1 821 . 17 1 1 A 72 72 GLY C C 72 172.604 173.325 -0.721 1
1 822 . 17 1 1 A 73 73 ARG N N 73 118.257 115.269 2.988 1
1 823 . 17 1 1 A 73 73 ARG H H 73 7.794 7.456 0.338 1
1 824 . 17 1 1 A 73 73 ARG CA C 73 52.893 53.964 -1.071 1
1 825 . 17 1 1 A 73 73 ARG HA H 73 4.560 4.442 0.118 1
1 826 . 17 1 1 A 73 73 ARG CB C 73 31.831 32.889 -1.058 1
1 837 . 17 1 1 A 73 73 ARG C C 73 173.057 173.750 -0.693 1
1 838 . 17 1 1 A 74 74 TYR N N 74 117.830 118.865 -1.035 1
1 839 . 17 1 1 A 74 74 TYR H H 74 8.366 8.538 -0.172 1
1 840 . 17 1 1 A 74 74 TYR CA C 74 57.987 56.531 1.456 1
1 841 . 17 1 1 A 74 74 TYR HA H 74 5.005 5.256 -0.251 1
1 842 . 17 1 1 A 74 74 TYR CB C 74 40.473 38.890 1.583 1
1 853 . 17 1 1 A 74 74 TYR C C 74 173.530 174.828 -1.298 1
1 854 . 17 1 1 A 75 75 ILE N N 75 120.880 125.259 -4.379 1
1 855 . 17 1 1 A 75 75 ILE H H 75 8.923 8.799 0.124 1
1 856 . 17 1 1 A 75 75 ILE CA C 75 59.632 60.933 -1.301 1
1 857 . 17 1 1 A 75 75 ILE HA H 75 4.398 4.502 -0.104 1
1 858 . 17 1 1 A 75 75 ILE CB C 75 37.608 37.681 -0.073 1
1 871 . 17 1 1 A 75 75 ILE C C 75 174.203 175.102 -0.899 1
1 872 . 17 1 1 A 76 76 TYR N N 76 125.586 126.836 -1.250 1
1 873 . 17 1 1 A 76 76 TYR H H 76 9.540 9.102 0.438 1
1 874 . 17 1 1 A 76 76 TYR CA C 76 59.137 56.018 3.119 1
1 875 . 17 1 1 A 76 76 TYR HA H 76 4.630 5.579 -0.949 1
1 876 . 17 1 1 A 76 76 TYR CB C 76 39.909 41.422 -1.513 1
1 887 . 17 1 1 A 76 76 TYR C C 76 174.280 174.496 -0.216 1
1 888 . 17 1 1 A 77 77 TYR N N 77 123.524 122.551 0.973 1
1 889 . 17 1 1 A 77 77 TYR H H 77 9.221 9.101 0.120 1
1 890 . 17 1 1 A 77 77 TYR CA C 77 55.476 56.388 -0.912 1
1 891 . 17 1 1 A 77 77 TYR HA H 77 4.155 5.464 -1.309 1
1 892 . 17 1 1 A 77 77 TYR CB C 77 35.926 39.187 -3.261 1
1 903 . 17 1 1 A 77 77 TYR C C 77 174.236 175.312 -1.076 1
1 904 . 17 1 1 A 78 78 LEU N N 78 123.875 125.953 -2.078 1
1 905 . 17 1 1 A 78 78 LEU H H 78 8.948 8.840 0.108 1
1 906 . 17 1 1 A 78 78 LEU CA C 78 55.635 55.229 0.406 1
1 907 . 17 1 1 A 78 78 LEU HA H 78 4.134 4.353 -0.219 1
1 908 . 17 1 1 A 78 78 LEU CB C 78 40.856 41.152 -0.296 1
1 921 . 17 1 1 A 78 78 LEU C C 78 175.294 176.328 -1.034 1
1 922 . 17 1 1 A 79 79 ILE N N 79 127.986 126.559 1.427 1
1 923 . 17 1 1 A 79 79 ILE H H 79 8.322 8.637 -0.315 1
1 924 . 17 1 1 A 79 79 ILE CA C 79 59.349 60.822 -1.473 1
1 925 . 17 1 1 A 79 79 ILE HA H 79 4.372 4.534 -0.162 1
1 926 . 17 1 1 A 79 79 ILE CB C 79 34.277 37.547 -3.270 1
1 939 . 17 1 1 A 79 79 ILE C C 79 176.505 176.458 0.047 1
1 940 . 17 1 1 A 80 80 THR N N 80 113.978 118.674 -4.696 1
1 941 . 17 1 1 A 80 80 THR H H 80 8.276 8.882 -0.606 1
1 942 . 17 1 1 A 80 80 THR CA C 80 61.646 62.069 -0.423 1
1 943 . 17 1 1 A 80 80 THR HA H 80 4.334 4.603 -0.269 1
1 944 . 17 1 1 A 80 80 THR CB C 80 69.165 69.945 -0.780 1
1 950 . 17 1 1 A 80 80 THR C C 80 172.999 173.895 -0.896 1
1 951 . 17 1 1 A 81 81 LYS N N 81 114.856 119.608 -4.752 1
1 952 . 17 1 1 A 81 81 LYS H H 81 7.512 7.599 -0.087 1
1 953 . 17 1 1 A 81 81 LYS CA C 81 54.894 54.347 0.547 1
1 954 . 17 1 1 A 81 81 LYS HA H 81 4.649 4.780 -0.131 1
1 955 . 17 1 1 A 81 81 LYS CB C 81 34.139 34.649 -0.510 1
1 964 . 17 1 1 A 81 81 LYS C C 81 175.344 175.959 -0.615 1
1 965 . 17 1 1 A 82 82 LYS N N 82 121.209 118.187 3.022 1
1 966 . 17 1 1 A 82 82 LYS H H 82 9.577 8.819 0.758 1
1 967 . 17 1 1 A 82 82 LYS CA C 82 60.198 57.464 2.734 1
1 968 . 17 1 1 A 82 82 LYS HA H 82 3.884 4.557 -0.673 1
1 969 . 17 1 1 A 82 82 LYS CB C 82 33.603 33.382 0.221 1
1 981 . 17 1 1 A 82 82 LYS C C 82 176.049 176.722 -0.673 1
1 982 . 17 1 1 A 83 83 ARG N N 83 112.456 117.695 -5.239 1
1 983 . 17 1 1 A 83 83 ARG H H 83 6.717 8.019 -1.302 1
1 984 . 17 1 1 A 83 83 ARG CA C 83 52.451 54.187 -1.736 1
1 985 . 17 1 1 A 83 83 ARG HA H 83 4.691 4.777 -0.086 1
1 986 . 17 1 1 A 83 83 ARG CB C 83 32.857 32.914 -0.057 1
1 995 . 17 1 1 A 83 83 ARG C C 83 177.299 176.660 0.639 1
1 996 . 17 1 1 A 84 84 ALA N N 84 124.857 124.819 0.038 1
1 997 . 17 1 1 A 84 84 ALA H H 84 9.290 8.984 0.306 1
1 998 . 17 1 1 A 84 84 ALA CA C 84 56.005 55.655 0.350 1
1 999 . 17 1 1 A 84 84 ALA HA H 84 3.895 3.968 -0.073 1
1 1000 . 17 1 1 A 84 84 ALA CB C 84 19.175 18.299 0.876 1
1 1004 . 17 1 1 A 84 84 ALA C C 84 178.350 179.326 -0.976 1
1 1005 . 17 1 1 A 85 85 SER CA C 85 58.631 61.203 -2.572 1
1 1006 . 17 1 1 A 85 85 SER HA H 85 4.338 3.996 0.342 1
1 1007 . 17 1 1 A 85 85 SER CB C 85 63.277 62.858 0.419 1
1 1010 . 17 1 1 A 85 85 SER C C 85 175.469 174.349 1.120 1
1 1011 . 17 1 1 A 86 86 HIS N N 86 121.978 117.345 4.633 1
1 1012 . 17 1 1 A 86 86 HIS H H 86 7.560 7.952 -0.392 1
1 1013 . 17 1 1 A 86 86 HIS CA C 86 54.468 55.257 -0.789 1
1 1014 . 17 1 1 A 86 86 HIS HA H 86 4.766 4.807 -0.041 1
1 1015 . 17 1 1 A 86 86 HIS CB C 86 33.069 30.639 2.430 1
1 1022 . 17 1 1 A 86 86 HIS C C 86 174.466 174.336 0.130 1
1 1023 . 17 1 1 A 87 87 LYS N N 87 122.014 125.002 -2.988 1
1 1024 . 17 1 1 A 87 87 LYS H H 87 8.693 8.705 -0.012 1
1 1025 . 17 1 1 A 87 87 LYS CA C 87 53.283 53.344 -0.061 1
1 1026 . 17 1 1 A 87 87 LYS HA H 87 4.792 4.655 0.137 1
1 1027 . 17 1 1 A 87 87 LYS CB C 87 32.803 32.219 0.584 1
1 1037 . 17 1 1 A 87 87 LYS C C 87 175.072 174.327 0.745 1
1 1038 . 17 1 1 A 88 88 PRO CA C 88 62.515 62.407 0.108 1
1 1039 . 17 1 1 A 88 88 PRO HA H 88 4.796 4.624 0.172 1
1 1040 . 17 1 1 A 88 88 PRO CB C 88 32.687 32.956 -0.269 1
1 1049 . 17 1 1 A 88 88 PRO C C 88 175.319 175.973 -0.654 1
1 1050 . 17 1 1 A 89 89 THR N N 89 107.501 111.684 -4.183 1
1 1051 . 17 1 1 A 89 89 THR H H 89 7.933 8.257 -0.324 1
1 1052 . 17 1 1 A 89 89 THR CA C 89 58.518 59.704 -1.186 1
1 1053 . 17 1 1 A 89 89 THR HA H 89 4.758 4.654 0.104 1
1 1054 . 17 1 1 A 89 89 THR CB C 89 70.861 72.106 -1.245 1
1 1060 . 17 1 1 A 89 89 THR C C 89 175.662 174.655 1.007 1
1 1061 . 17 1 1 A 90 90 TYR N N 90 120.845 124.314 -3.469 1
1 1062 . 17 1 1 A 90 90 TYR H H 90 8.751 8.965 -0.214 1
1 1063 . 17 1 1 A 90 90 TYR CA C 90 63.195 61.503 1.692 1
1 1064 . 17 1 1 A 90 90 TYR HA H 90 4.064 4.215 -0.151 1
1 1065 . 17 1 1 A 90 90 TYR CB C 90 37.372 38.369 -0.997 1
1 1076 . 17 1 1 A 90 90 TYR C C 90 178.063 178.030 0.033 1
1 1077 . 17 1 1 A 91 91 GLU N N 91 118.210 120.066 -1.856 1
1 1078 . 17 1 1 A 91 91 GLU H H 91 8.857 8.431 0.426 1
1 1079 . 17 1 1 A 91 91 GLU CA C 91 60.312 59.871 0.441 1
1 1080 . 17 1 1 A 91 91 GLU HA H 91 4.114 4.010 0.104 1
1 1081 . 17 1 1 A 91 91 GLU CB C 91 29.276 29.073 0.203 1
1 1087 . 17 1 1 A 91 91 GLU C C 91 178.970 179.309 -0.339 1
1 1088 . 17 1 1 A 92 92 ASN N N 92 117.220 118.788 -1.568 1
1 1089 . 17 1 1 A 92 92 ASN H H 92 7.894 7.981 -0.087 1
1 1090 . 17 1 1 A 92 92 ASN CA C 92 55.334 56.214 -0.880 1
1 1091 . 17 1 1 A 92 92 ASN HA H 92 4.696 4.523 0.173 1
1 1092 . 17 1 1 A 92 92 ASN CB C 92 37.704 38.498 -0.794 1
1 1098 . 17 1 1 A 92 92 ASN C C 92 178.155 177.791 0.364 1
1 1099 . 17 1 1 A 93 93 LEU N N 93 121.622 121.309 0.313 1
1 1100 . 17 1 1 A 93 93 LEU H H 93 8.038 8.241 -0.203 1
1 1101 . 17 1 1 A 93 93 LEU CA C 93 58.495 58.972 -0.477 1
1 1102 . 17 1 1 A 93 93 LEU HA H 93 4.092 4.011 0.081 1
1 1103 . 17 1 1 A 93 93 LEU CB C 93 41.383 41.849 -0.466 1
1 1116 . 17 1 1 A 93 93 LEU C C 93 177.808 178.590 -0.782 1
1 1117 . 17 1 1 A 94 94 GLN N N 94 120.352 118.535 1.817 1
1 1118 . 17 1 1 A 94 94 GLN H H 94 8.792 8.295 0.497 1
1 1119 . 17 1 1 A 94 94 GLN CA C 94 61.099 59.465 1.634 1
1 1120 . 17 1 1 A 94 94 GLN HA H 94 3.721 3.977 -0.256 1
1 1121 . 17 1 1 A 94 94 GLN CB C 94 27.560 28.537 -0.977 1
1 1130 . 17 1 1 A 94 94 GLN C C 94 178.042 178.270 -0.228 1
1 1131 . 17 1 1 A 95 95 LYS N N 95 117.824 118.531 -0.707 1
1 1132 . 17 1 1 A 95 95 LYS H H 95 7.803 7.674 0.129 1
1 1133 . 17 1 1 A 95 95 LYS CA C 95 60.222 59.415 0.807 1
1 1134 . 17 1 1 A 95 95 LYS HA H 95 4.012 3.971 0.041 1
1 1135 . 17 1 1 A 95 95 LYS CB C 95 33.168 32.345 0.823 1
1 1147 . 17 1 1 A 95 95 LYS C C 95 179.868 179.247 0.621 1
1 1148 . 17 1 1 A 96 96 SER N N 96 118.301 116.022 2.279 1
1 1149 . 17 1 1 A 96 96 SER H H 96 8.251 8.223 0.028 1
1 1150 . 17 1 1 A 96 96 SER CA C 96 63.668 62.263 1.405 1
1 1151 . 17 1 1 A 96 96 SER HA H 96 3.710 4.132 -0.422 1
1 1152 . 17 1 1 A 96 96 SER CB C 96 62.882 62.653 0.229 1
1 1155 . 17 1 1 A 96 96 SER C C 96 176.400 176.163 0.237 1
1 1156 . 17 1 1 A 97 97 LEU N N 97 122.701 120.990 1.711 1
1 1157 . 17 1 1 A 97 97 LEU H H 97 8.467 8.228 0.239 1
1 1158 . 17 1 1 A 97 97 LEU CA C 97 58.323 58.028 0.295 1
1 1159 . 17 1 1 A 97 97 LEU HA H 97 3.861 3.973 -0.112 1
1 1160 . 17 1 1 A 97 97 LEU CB C 97 42.995 41.769 1.226 1
1 1173 . 17 1 1 A 97 97 LEU C C 97 178.941 179.513 -0.572 1
1 1174 . 17 1 1 A 98 98 GLU N N 98 119.918 119.311 0.607 1
1 1175 . 17 1 1 A 98 98 GLU H H 98 8.410 8.231 0.179 1
1 1176 . 17 1 1 A 98 98 GLU CA C 98 59.561 59.384 0.177 1
1 1177 . 17 1 1 A 98 98 GLU HA H 98 3.622 3.865 -0.243 1
1 1178 . 17 1 1 A 98 98 GLU CB C 98 29.142 28.685 0.457 1
1 1184 . 17 1 1 A 98 98 GLU C C 98 179.137 178.712 0.425 1
1 1185 . 17 1 1 A 99 99 ALA N N 99 124.193 122.686 1.507 1
1 1186 . 17 1 1 A 99 99 ALA H H 99 8.197 8.093 0.104 1
1 1187 . 17 1 1 A 99 99 ALA CA C 99 55.016 55.108 -0.092 1
1 1188 . 17 1 1 A 99 99 ALA HA H 99 4.247 4.112 0.135 1
1 1189 . 17 1 1 A 99 99 ALA CB C 99 17.815 18.262 -0.447 1
1 1193 . 17 1 1 A 99 99 ALA C C 99 181.133 179.612 1.521 1
1 1194 . 17 1 1 A 100 100 MET N N 100 122.009 118.389 3.620 1
1 1195 . 17 1 1 A 100 100 MET H H 100 8.482 8.278 0.204 1
1 1196 . 17 1 1 A 100 100 MET CA C 100 59.826 58.130 1.696 1
1 1197 . 17 1 1 A 100 100 MET HA H 100 3.714 3.983 -0.269 1
1 1198 . 17 1 1 A 100 100 MET CB C 100 32.944 32.195 0.749 1
1 1208 . 17 1 1 A 100 100 MET C C 100 176.658 177.826 -1.168 1
1 1209 . 17 1 1 A 101 101 LYS N N 101 120.991 118.409 2.582 1
1 1210 . 17 1 1 A 101 101 LYS H H 101 8.721 7.811 0.910 1
1 1211 . 17 1 1 A 101 101 LYS CA C 101 60.563 58.859 1.704 1
1 1212 . 17 1 1 A 101 101 LYS HA H 101 3.614 4.027 -0.413 1
1 1213 . 17 1 1 A 101 101 LYS CB C 101 30.759 32.130 -1.371 1
1 1225 . 17 1 1 A 101 101 LYS C C 101 177.419 178.338 -0.919 1
1 1226 . 17 1 1 A 102 102 SER N N 102 111.833 114.612 -2.779 1
1 1227 . 17 1 1 A 102 102 SER H H 102 8.005 7.719 0.286 1
1 1228 . 17 1 1 A 102 102 SER CA C 102 61.993 61.777 0.216 1
1 1229 . 17 1 1 A 102 102 SER HA H 102 4.082 4.091 -0.009 1
1 1230 . 17 1 1 A 102 102 SER CB C 102 62.863 63.029 -0.166 1
1 1233 . 17 1 1 A 102 102 SER C C 102 176.601 177.004 -0.403 1
1 1234 . 17 1 1 A 103 103 HIS N N 103 121.793 120.735 1.058 1
1 1235 . 17 1 1 A 103 103 HIS H H 103 7.605 7.790 -0.185 1
1 1236 . 17 1 1 A 103 103 HIS CA C 103 62.090 59.704 2.386 1
1 1237 . 17 1 1 A 103 103 HIS HA H 103 4.000 4.290 -0.290 1
1 1238 . 17 1 1 A 103 103 HIS CB C 103 30.652 30.035 0.617 1
1 1245 . 17 1 1 A 103 103 HIS C C 103 179.129 176.580 2.549 1
1 1246 . 17 1 1 A 104 104 CYS N N 104 119.421 116.515 2.906 1
1 1247 . 17 1 1 A 104 104 CYS H H 104 9.261 7.604 1.657 1
1 1248 . 17 1 1 A 104 104 CYS CA C 104 63.841 63.668 0.173 1
1 1249 . 17 1 1 A 104 104 CYS HA H 104 4.105 4.208 -0.103 1
1 1250 . 17 1 1 A 104 104 CYS CB C 104 27.916 26.982 0.934 1
1 1253 . 17 1 1 A 104 104 CYS C C 104 178.176 177.318 0.858 1
1 1254 . 17 1 1 A 105 105 LEU N N 105 117.129 120.604 -3.475 1
1 1255 . 17 1 1 A 105 105 LEU H H 105 8.331 7.976 0.355 1
1 1256 . 17 1 1 A 105 105 LEU CA C 105 57.262 58.129 -0.867 1
1 1257 . 17 1 1 A 105 105 LEU HA H 105 4.245 3.934 0.311 1
1 1258 . 17 1 1 A 105 105 LEU CB C 105 42.030 41.809 0.221 1
1 1271 . 17 1 1 A 105 105 LEU C C 105 180.635 178.950 1.685 1
1 1272 . 17 1 1 A 106 106 LYS N N 106 118.583 116.934 1.649 1
1 1273 . 17 1 1 A 106 106 LYS H H 106 7.638 8.036 -0.398 1
1 1274 . 17 1 1 A 106 106 LYS CA C 106 58.075 60.038 -1.963 1
1 1275 . 17 1 1 A 106 106 LYS HA H 106 4.140 3.849 0.291 1
1 1276 . 17 1 1 A 106 106 LYS CB C 106 33.191 32.218 0.973 1
1 1288 . 17 1 1 A 106 106 LYS C C 106 177.466 178.508 -1.042 1
1 1289 . 17 1 1 A 107 107 ASN N N 107 113.320 114.595 -1.275 1
1 1290 . 17 1 1 A 107 107 ASN H H 107 7.606 7.834 -0.228 1
1 1291 . 17 1 1 A 107 107 ASN CA C 107 53.813 55.023 -1.210 1
1 1292 . 17 1 1 A 107 107 ASN HA H 107 4.841 4.639 0.202 1
1 1293 . 17 1 1 A 107 107 ASN CB C 107 39.785 38.349 1.436 1
1 1299 . 17 1 1 A 107 107 ASN C C 107 174.443 175.511 -1.068 1
1 1300 . 17 1 1 A 108 108 GLY N N 108 109.386 108.009 1.377 1
1 1301 . 17 1 1 A 108 108 GLY H H 108 7.667 7.950 -0.283 1
1 1302 . 17 1 1 A 108 108 GLY CA C 108 47.252 45.071 2.181 1
1 1303 . 17 1 1 A 108 108 GLY HA2 H 108 4.023 4.098 -0.075 1
1 1304 . 17 1 1 A 108 108 GLY HA3 H 108 4.023 4.106 -0.083 1
1 1305 . 17 1 1 A 108 108 GLY C C 108 174.436 174.535 -0.099 1
1 1306 . 17 1 1 A 109 109 VAL N N 109 122.758 121.278 1.480 1
1 1307 . 17 1 1 A 109 109 VAL H H 109 8.480 8.399 0.081 1
1 1308 . 17 1 1 A 109 109 VAL CA C 109 63.788 61.774 2.014 1
1 1309 . 17 1 1 A 109 109 VAL HA H 109 4.094 4.289 -0.195 1
1 1310 . 17 1 1 A 109 109 VAL CB C 109 32.931 30.569 2.362 1
1 1320 . 17 1 1 A 109 109 VAL C C 109 176.089 175.905 0.184 1
1 1321 . 17 1 1 A 110 110 THR N N 110 115.431 123.028 -7.597 1
1 1322 . 17 1 1 A 110 110 THR H H 110 8.995 8.754 0.241 1
1 1323 . 17 1 1 A 110 110 THR CA C 110 62.045 64.502 -2.457 1
1 1324 . 17 1 1 A 110 110 THR HA H 110 4.515 4.422 0.093 1
1 1325 . 17 1 1 A 110 110 THR CB C 110 70.758 69.742 1.016 1
1 1331 . 17 1 1 A 110 110 THR C C 110 173.700 174.073 -0.373 1
1 1332 . 17 1 1 A 111 111 ASP N N 111 123.757 120.399 3.358 1
1 1333 . 17 1 1 A 111 111 ASP H H 111 8.123 7.821 0.302 1
1 1334 . 17 1 1 A 111 111 ASP CA C 111 54.747 53.810 0.937 1
1 1335 . 17 1 1 A 111 111 ASP HA H 111 5.527 5.035 0.492 1
1 1336 . 17 1 1 A 111 111 ASP CB C 111 43.928 41.977 1.951 1
1 1339 . 17 1 1 A 111 111 ASP C C 111 172.807 175.413 -2.606 1
1 1340 . 17 1 1 A 112 112 LEU N N 112 123.145 125.519 -2.374 1
1 1341 . 17 1 1 A 112 112 LEU H H 112 8.671 8.741 -0.070 1
1 1342 . 17 1 1 A 112 112 LEU CA C 112 52.953 53.728 -0.775 1
1 1343 . 17 1 1 A 112 112 LEU HA H 112 5.213 5.163 0.050 1
1 1344 . 17 1 1 A 112 112 LEU CB C 112 47.875 46.739 1.136 1
1 1357 . 17 1 1 A 112 112 LEU C C 112 176.803 173.806 2.997 1
1 1358 . 17 1 1 A 113 113 SER N N 113 122.973 120.576 2.397 1
1 1359 . 17 1 1 A 113 113 SER H H 113 9.473 8.454 1.019 1
1 1360 . 17 1 1 A 113 113 SER CA C 113 59.207 57.447 1.760 1
1 1361 . 17 1 1 A 113 113 SER HA H 113 6.070 5.454 0.616 1
1 1362 . 17 1 1 A 113 113 SER CB C 113 67.023 65.859 1.164 1
1 1365 . 17 1 1 A 113 113 SER C C 113 172.066 173.248 -1.182 1
1 1366 . 17 1 1 A 114 114 MET N N 114 118.476 122.752 -4.276 1
1 1367 . 17 1 1 A 114 114 MET H H 114 9.080 8.870 0.210 1
1 1368 . 17 1 1 A 114 114 MET CA C 114 54.007 53.199 0.808 1
1 1369 . 17 1 1 A 114 114 MET HA H 114 5.435 5.215 0.220 1
1 1370 . 17 1 1 A 114 114 MET CB C 114 34.867 35.684 -0.817 1
1 1380 . 17 1 1 A 114 114 MET C C 114 172.934 174.256 -1.322 1
1 1381 . 17 1 1 A 115 115 PRO CA C 115 62.262 62.273 -0.011 1
1 1382 . 17 1 1 A 115 115 PRO HA H 115 5.593 4.686 0.907 1
1 1383 . 17 1 1 A 115 115 PRO CB C 115 32.748 33.190 -0.442 1
1 1392 . 17 1 1 A 115 115 PRO C C 115 175.547 176.161 -0.614 1
1 1393 . 17 1 1 A 116 116 ARG N N 116 116.821 120.947 -4.126 1
1 1394 . 17 1 1 A 116 116 ARG H H 116 8.348 8.449 -0.101 1
1 1395 . 17 1 1 A 116 116 ARG CA C 116 55.785 56.409 -0.624 1
1 1396 . 17 1 1 A 116 116 ARG HA H 116 3.896 4.050 -0.154 1
1 1397 . 17 1 1 A 116 116 ARG CB C 116 27.344 30.594 -3.250 1
1 1406 . 17 1 1 A 116 116 ARG C C 116 176.796 176.052 0.744 1
1 1407 . 17 1 1 A 117 117 ILE N N 117 122.887 119.108 3.779 1
1 1408 . 17 1 1 A 117 117 ILE H H 117 7.989 8.185 -0.196 1
1 1409 . 17 1 1 A 117 117 ILE CA C 117 63.148 59.130 4.018 1
1 1410 . 17 1 1 A 117 117 ILE HA H 117 4.028 4.748 -0.720 1
1 1411 . 17 1 1 A 117 117 ILE CB C 117 40.010 41.010 -1.000 1
1 1424 . 17 1 1 A 117 117 ILE C C 117 174.324 175.750 -1.426 1
1 1425 . 17 1 1 A 118 118 GLY N N 118 107.320 112.467 -5.147 1
1 1426 . 17 1 1 A 118 118 GLY H H 118 8.662 8.941 -0.279 1
1 1427 . 17 1 1 A 118 118 GLY CA C 118 45.752 47.174 -1.422 1
1 1428 . 17 1 1 A 118 118 GLY HA2 H 118 3.693 3.929 -0.236 1
1 1429 . 17 1 1 A 118 118 GLY HA3 H 118 4.226 3.974 0.252 1
1 1430 . 17 1 1 A 118 118 GLY C C 118 172.861 174.245 -1.384 1
1 1431 . 17 1 1 A 119 119 CYS N N 119 115.336 118.779 -3.443 1
1 1432 . 17 1 1 A 119 119 CYS H H 119 7.445 8.130 -0.685 1
1 1433 . 17 1 1 A 119 119 CYS CA C 119 58.753 60.514 -1.761 1
1 1434 . 17 1 1 A 119 119 CYS HA H 119 4.831 4.909 -0.078 1
1 1435 . 17 1 1 A 119 119 CYS CB C 119 28.840 29.347 -0.507 1
1 1438 . 17 1 1 A 121 121 LEU CA C 121 57.692 57.943 -0.251 1
1 1439 . 17 1 1 A 121 121 LEU HA H 121 4.152 3.946 0.206 1
1 1440 . 17 1 1 A 121 121 LEU CB C 121 41.644 41.838 -0.194 1
1 1453 . 17 1 1 A 123 123 ARG N N 123 107.909 124.575 -16.666 1
1 1454 . 17 1 1 A 123 123 ARG H H 123 7.536 8.604 -1.068 1
1 1455 . 17 1 1 A 123 123 ARG CA C 123 57.775 58.276 -0.501 1
1 1456 . 17 1 1 A 123 123 ARG HA H 123 3.989 4.094 -0.105 1
1 1457 . 17 1 1 A 123 123 ARG CB C 123 28.219 30.212 -1.993 1
1 1466 . 17 1 1 A 123 123 ARG C C 123 176.088 176.892 -0.804 1
1 1467 . 17 1 1 A 124 124 LEU N N 124 118.876 120.771 -1.895 1
1 1468 . 17 1 1 A 124 124 LEU H H 124 8.401 7.525 0.876 1
1 1469 . 17 1 1 A 124 124 LEU CA C 124 54.573 54.984 -0.411 1
1 1470 . 17 1 1 A 124 124 LEU HA H 124 4.533 4.199 0.334 1
1 1471 . 17 1 1 A 124 124 LEU CB C 124 39.785 42.057 -2.272 1
1 1484 . 17 1 1 A 124 124 LEU C C 124 175.551 175.882 -0.331 1
1 1485 . 17 1 1 A 125 125 GLN N N 125 116.713 118.546 -1.833 1
1 1486 . 17 1 1 A 125 125 GLN H H 125 7.779 8.974 -1.195 1
1 1487 . 17 1 1 A 125 125 GLN CA C 125 54.609 54.263 0.346 1
1 1488 . 17 1 1 A 125 125 GLN HA H 125 4.794 5.043 -0.249 1
1 1489 . 17 1 1 A 125 125 GLN CB C 125 30.327 31.893 -1.566 1
1 1498 . 17 1 1 A 125 125 GLN C C 125 177.722 176.131 1.591 1
1 1499 . 17 1 1 A 126 126 TRP N N 126 128.887 126.158 2.729 1
1 1500 . 17 1 1 A 126 126 TRP H H 126 9.755 9.239 0.516 1
1 1501 . 17 1 1 A 126 126 TRP CA C 126 59.962 61.278 -1.316 1
1 1502 . 17 1 1 A 126 126 TRP HA H 126 4.545 4.246 0.299 1
1 1503 . 17 1 1 A 126 126 TRP CB C 126 30.009 30.427 -0.418 1
1 1518 . 17 1 1 A 126 126 TRP C C 126 177.057 178.087 -1.030 1
1 1519 . 17 1 1 A 127 127 GLU N N 127 119.568 118.491 1.077 1
1 1520 . 17 1 1 A 127 127 GLU H H 127 9.946 8.436 1.510 1
1 1521 . 17 1 1 A 127 127 GLU CA C 127 60.623 59.666 0.957 1
1 1522 . 17 1 1 A 127 127 GLU HA H 127 3.780 3.935 -0.155 1
1 1523 . 17 1 1 A 127 127 GLU CB C 127 28.594 29.557 -0.963 1
1 1529 . 17 1 1 A 127 127 GLU C C 127 177.905 178.833 -0.928 1
1 1530 . 17 1 1 A 128 128 ASN N N 128 115.229 117.290 -2.061 1
1 1531 . 17 1 1 A 128 128 ASN H H 128 7.159 7.612 -0.453 1
1 1532 . 17 1 1 A 128 128 ASN CA C 128 55.370 55.508 -0.138 1
1 1533 . 17 1 1 A 128 128 ASN HA H 128 4.446 4.465 -0.019 1
1 1534 . 17 1 1 A 128 128 ASN CB C 128 38.522 38.343 0.179 1
1 1540 . 17 1 1 A 128 128 ASN C C 128 177.374 177.621 -0.247 1
1 1541 . 17 1 1 A 129 129 VAL N N 129 122.487 120.223 2.264 1
1 1542 . 17 1 1 A 129 129 VAL H H 129 8.033 7.889 0.144 1
1 1543 . 17 1 1 A 129 129 VAL CA C 129 67.289 66.848 0.441 1
1 1544 . 17 1 1 A 129 129 VAL HA H 129 3.489 3.540 -0.051 1
1 1545 . 17 1 1 A 129 129 VAL CB C 129 31.824 31.582 0.242 1
1 1555 . 17 1 1 A 129 129 VAL C C 129 177.209 177.725 -0.516 1
1 1556 . 17 1 1 A 130 130 SER N N 130 115.189 113.579 1.610 1
1 1557 . 17 1 1 A 130 130 SER H H 130 8.550 8.069 0.481 1
1 1558 . 17 1 1 A 130 130 SER CA C 130 61.477 60.621 0.856 1
1 1559 . 17 1 1 A 130 130 SER HA H 130 3.151 3.613 -0.462 1
1 1560 . 17 1 1 A 130 130 SER CB C 130 61.348 61.739 -0.391 1
1 1563 . 17 1 1 A 130 130 SER C C 130 175.971 176.895 -0.924 1
1 1564 . 17 1 1 A 131 131 ALA N N 131 123.596 123.564 0.032 1
1 1565 . 17 1 1 A 131 131 ALA H H 131 6.551 7.886 -1.335 1
1 1566 . 17 1 1 A 131 131 ALA CA C 131 54.947 55.139 -0.192 1
1 1567 . 17 1 1 A 131 131 ALA HA H 131 4.079 3.931 0.148 1
1 1568 . 17 1 1 A 131 131 ALA CB C 131 18.023 17.721 0.302 1
1 1572 . 17 1 1 A 131 131 ALA C C 131 179.947 180.060 -0.113 1
1 1573 . 17 1 1 A 132 132 MET N N 132 119.410 116.745 2.665 1
1 1574 . 17 1 1 A 132 132 MET H H 132 7.442 7.946 -0.504 1
1 1575 . 17 1 1 A 132 132 MET CA C 132 58.917 58.567 0.350 1
1 1576 . 17 1 1 A 132 132 MET HA H 132 4.118 4.145 -0.027 1
1 1577 . 17 1 1 A 132 132 MET CB C 132 33.984 32.668 1.316 1
1 1587 . 17 1 1 A 132 132 MET C C 132 178.019 179.071 -1.052 1
1 1588 . 17 1 1 A 133 133 ILE N N 133 120.265 119.474 0.791 1
1 1589 . 17 1 1 A 133 133 ILE H H 133 8.554 7.913 0.641 1
1 1590 . 17 1 1 A 133 133 ILE CA C 133 66.859 65.192 1.667 1
1 1591 . 17 1 1 A 133 133 ILE HA H 133 3.470 3.794 -0.324 1
1 1592 . 17 1 1 A 133 133 ILE CB C 133 38.240 37.220 1.020 1
1 1605 . 17 1 1 A 133 133 ILE C C 133 177.949 178.074 -0.125 1
1 1606 . 17 1 1 A 134 134 GLU N N 134 117.011 119.669 -2.658 1
1 1607 . 17 1 1 A 134 134 GLU H H 134 8.106 7.936 0.170 1
1 1608 . 17 1 1 A 134 134 GLU CA C 134 59.844 59.884 -0.040 1
1 1609 . 17 1 1 A 134 134 GLU HA H 134 3.919 3.992 -0.073 1
1 1610 . 17 1 1 A 134 134 GLU CB C 134 29.024 29.391 -0.367 1
1 1616 . 17 1 1 A 134 134 GLU C C 134 178.982 178.970 0.012 1
1 1617 . 17 1 1 A 135 135 GLU N N 135 118.619 119.015 -0.396 1
1 1618 . 17 1 1 A 135 135 GLU H H 135 7.848 8.235 -0.387 1
1 1619 . 17 1 1 A 135 135 GLU CA C 135 59.438 59.299 0.139 1
1 1620 . 17 1 1 A 135 135 GLU HA H 135 4.090 4.082 0.008 1
1 1621 . 17 1 1 A 135 135 GLU CB C 135 29.948 29.203 0.745 1
1 1627 . 17 1 1 A 135 135 GLU C C 135 179.547 179.266 0.281 1
1 1628 . 17 1 1 A 136 136 VAL N N 136 119.915 121.422 -1.507 1
1 1629 . 17 1 1 A 136 136 VAL H H 136 8.793 8.394 0.399 1
1 1630 . 17 1 1 A 136 136 VAL CA C 136 66.122 66.228 -0.106 1
1 1631 . 17 1 1 A 136 136 VAL HA H 136 3.578 3.505 0.073 1
1 1632 . 17 1 1 A 136 136 VAL CB C 136 31.990 31.727 0.263 1
1 1642 . 17 1 1 A 136 136 VAL C C 136 177.646 177.558 0.088 1
1 1643 . 17 1 1 A 137 137 PHE N N 137 111.913 116.911 -4.998 1
1 1644 . 17 1 1 A 137 137 PHE H H 137 8.009 7.979 0.030 1
1 1645 . 17 1 1 A 137 137 PHE CA C 137 59.545 58.412 1.133 1
1 1646 . 17 1 1 A 137 137 PHE HA H 137 4.197 4.823 -0.626 1
1 1647 . 17 1 1 A 137 137 PHE CB C 137 38.105 39.189 -1.084 1
1 1660 . 17 1 1 A 138 138 GLU N N 138 123.997 121.996 2.001 1
1 1661 . 17 1 1 A 138 138 GLU H H 138 7.268 8.141 -0.873 1
1 1662 . 17 1 1 A 138 138 GLU CA C 138 59.222 59.707 -0.485 1
1 1663 . 17 1 1 A 138 138 GLU HA H 138 4.161 4.050 0.111 1
1 1664 . 17 1 1 A 138 138 GLU CB C 138 29.644 29.456 0.188 1
1 1670 . 17 1 1 A 139 139 ALA N N 139 121.713 119.409 2.304 1
1 1671 . 17 1 1 A 139 139 ALA H H 139 8.830 7.684 1.146 1
1 1672 . 17 1 1 A 139 139 ALA CA C 139 52.894 51.378 1.516 1
1 1673 . 17 1 1 A 139 139 ALA HA H 139 4.334 4.441 -0.107 1
1 1674 . 17 1 1 A 139 139 ALA CB C 139 17.362 18.165 -0.803 1
1 1678 . 17 1 1 A 139 139 ALA C C 139 176.943 176.051 0.892 1
1 1679 . 17 1 1 A 140 140 THR N N 140 107.901 109.520 -1.619 1
1 1680 . 17 1 1 A 140 140 THR H H 140 7.809 7.740 0.069 1
1 1681 . 17 1 1 A 140 140 THR CA C 140 61.013 59.868 1.145 1
1 1682 . 17 1 1 A 140 140 THR HA H 140 4.164 4.909 -0.745 1
1 1683 . 17 1 1 A 140 140 THR CB C 140 72.698 72.665 0.033 1
1 1689 . 17 1 1 A 140 140 THR C C 140 174.222 173.414 0.808 1
1 1690 . 17 1 1 A 141 141 ASP N N 141 120.212 117.983 2.229 1
1 1691 . 17 1 1 A 141 141 ASP H H 141 8.959 8.519 0.440 1
1 1692 . 17 1 1 A 141 141 ASP CA C 141 53.333 53.899 -0.566 1
1 1693 . 17 1 1 A 141 141 ASP HA H 141 4.991 4.979 0.012 1
1 1694 . 17 1 1 A 141 141 ASP CB C 141 40.660 41.511 -0.851 1
1 1697 . 17 1 1 A 141 141 ASP C C 141 175.403 174.107 1.296 1
1 1698 . 17 1 1 A 142 142 ILE N N 142 120.815 120.361 0.454 1
1 1699 . 17 1 1 A 142 142 ILE H H 142 7.444 7.585 -0.141 1
1 1700 . 17 1 1 A 142 142 ILE CA C 142 62.338 59.863 2.475 1
1 1701 . 17 1 1 A 142 142 ILE HA H 142 4.131 4.784 -0.653 1
1 1702 . 17 1 1 A 142 142 ILE CB C 142 38.703 41.411 -2.708 1
1 1715 . 17 1 1 A 142 142 ILE C C 142 175.399 174.362 1.037 1
1 1716 . 17 1 1 A 143 143 LYS N N 143 129.106 126.399 2.707 1
1 1717 . 17 1 1 A 143 143 LYS H H 143 8.588 9.336 -0.748 1
1 1718 . 17 1 1 A 143 143 LYS CA C 143 55.725 55.047 0.678 1
1 1719 . 17 1 1 A 143 143 LYS HA H 143 4.444 4.969 -0.525 1
1 1720 . 17 1 1 A 143 143 LYS CB C 143 33.768 34.910 -1.142 1
1 1732 . 17 1 1 A 143 143 LYS C C 143 174.820 175.476 -0.656 1
1 1733 . 17 1 1 A 144 144 ILE N N 144 122.496 124.225 -1.729 1
1 1734 . 17 1 1 A 144 144 ILE H H 144 7.884 8.851 -0.967 1
1 1735 . 17 1 1 A 144 144 ILE CA C 144 59.861 59.820 0.041 1
1 1736 . 17 1 1 A 144 144 ILE HA H 144 4.937 4.986 -0.049 1
1 1737 . 17 1 1 A 144 144 ILE CB C 144 40.518 40.247 0.271 1
1 1750 . 17 1 1 A 144 144 ILE C C 144 175.232 175.021 0.211 1
1 1751 . 17 1 1 A 145 145 THR N N 145 126.667 123.702 2.965 1
1 1752 . 17 1 1 A 145 145 THR H H 145 9.100 8.645 0.455 1
1 1753 . 17 1 1 A 145 145 THR CA C 145 61.374 61.813 -0.439 1
1 1754 . 17 1 1 A 145 145 THR HA H 145 4.992 4.906 0.086 1
1 1755 . 17 1 1 A 145 145 THR CB C 145 68.907 71.806 -2.899 1
1 1761 . 17 1 1 A 145 145 THR C C 145 173.158 173.303 -0.145 1
1 1762 . 17 1 1 A 146 146 VAL N N 146 127.717 127.694 0.023 1
1 1763 . 17 1 1 A 146 146 VAL H H 146 8.818 8.844 -0.026 1
1 1764 . 17 1 1 A 146 146 VAL CA C 146 59.930 61.383 -1.453 1
1 1765 . 17 1 1 A 146 146 VAL HA H 146 5.053 4.896 0.157 1
1 1766 . 17 1 1 A 146 146 VAL CB C 146 32.906 32.741 0.165 1
1 1776 . 17 1 1 A 146 146 VAL C C 146 175.653 174.955 0.698 1
1 1777 . 17 1 1 A 147 147 TYR N N 147 129.304 127.037 2.267 1
1 1778 . 17 1 1 A 147 147 TYR H H 147 8.926 9.193 -0.267 1
1 1779 . 17 1 1 A 147 147 TYR CA C 147 57.290 57.569 -0.279 1
1 1780 . 17 1 1 A 147 147 TYR HA H 147 5.283 5.198 0.085 1
1 1781 . 17 1 1 A 147 147 TYR CB C 147 40.422 40.380 0.042 1
1 1792 . 17 1 1 A 147 147 TYR C C 147 177.250 175.455 1.795 1
1 1793 . 17 1 1 A 148 148 THR N N 148 116.883 114.006 2.877 1
1 1794 . 17 1 1 A 148 148 THR H H 148 8.607 9.122 -0.515 1
1 1795 . 17 1 1 A 148 148 THR CA C 148 61.560 60.637 0.923 1
1 1796 . 17 1 1 A 148 148 THR HA H 148 4.431 5.045 -0.614 1
1 1797 . 17 1 1 A 148 148 THR CB C 148 70.966 70.852 0.114 1
1 1803 . 17 1 1 A 148 148 THR C C 148 172.797 173.555 -0.758 1
1 1 . 18 1 1 A 5 5 SER CA C 5 58.376 57.544 0.832 1
1 2 . 18 1 1 A 5 5 SER HA H 5 4.528 4.971 -0.443 1
1 3 . 18 1 1 A 5 5 SER CB C 5 63.813 64.304 -0.491 1
1 5 . 18 1 1 A 5 5 SER C C 5 174.968 174.440 0.528 1
1 6 . 18 1 1 A 6 6 SER N N 6 117.996 117.795 0.201 1
1 7 . 18 1 1 A 6 6 SER H H 6 8.503 8.531 -0.028 1
1 8 . 18 1 1 A 6 6 SER CA C 6 58.642 57.065 1.577 1
1 9 . 18 1 1 A 6 6 SER HA H 6 4.526 5.116 -0.590 1
1 10 . 18 1 1 A 6 6 SER CB C 6 63.855 65.635 -1.780 1
1 13 . 18 1 1 A 6 6 SER C C 6 175.129 173.921 1.208 1
1 14 . 18 1 1 A 7 7 GLY N N 7 110.904 107.783 3.121 1
1 15 . 18 1 1 A 7 7 GLY H H 7 8.470 8.477 -0.007 1
1 16 . 18 1 1 A 7 7 GLY CA C 7 45.430 45.742 -0.312 1
1 17 . 18 1 1 A 7 7 GLY HA2 H 7 4.030 4.237 -0.207 1
1 18 . 18 1 1 A 7 7 GLY HA3 H 7 4.030 4.237 -0.207 1
1 19 . 18 1 1 A 7 7 GLY C C 7 174.606 173.553 1.053 1
1 20 . 18 1 1 A 8 8 GLY N N 8 108.942 111.189 -2.247 1
1 21 . 18 1 1 A 8 8 GLY H H 8 8.286 8.352 -0.066 1
1 22 . 18 1 1 A 8 8 GLY CA C 8 45.058 44.639 0.419 1
1 23 . 18 1 1 A 8 8 GLY HA2 H 8 4.027 4.051 -0.024 1
1 24 . 18 1 1 A 8 8 GLY HA3 H 8 4.199 4.056 0.143 1
1 25 . 18 1 1 A 8 8 GLY C C 8 173.943 173.583 0.360 1
1 26 . 18 1 1 A 9 9 SER N N 9 115.435 119.338 -3.903 1
1 27 . 18 1 1 A 9 9 SER H H 9 8.275 8.436 -0.161 1
1 28 . 18 1 1 A 9 9 SER CA C 9 57.847 58.485 -0.638 1
1 29 . 18 1 1 A 9 9 SER HA H 9 4.616 4.462 0.154 1
1 30 . 18 1 1 A 9 9 SER CB C 9 64.102 63.852 0.250 1
1 33 . 18 1 1 A 9 9 SER C C 9 174.962 175.349 -0.387 1
1 34 . 18 1 1 A 10 10 ARG N N 10 126.156 124.000 2.156 1
1 35 . 18 1 1 A 10 10 ARG H H 10 9.427 8.618 0.809 1
1 36 . 18 1 1 A 10 10 ARG CA C 10 56.662 58.673 -2.011 1
1 37 . 18 1 1 A 10 10 ARG HA H 10 4.332 4.185 0.147 1
1 38 . 18 1 1 A 10 10 ARG CB C 10 30.289 30.593 -0.304 1
1 49 . 18 1 1 A 10 10 ARG C C 10 175.504 177.005 -1.501 1
1 50 . 18 1 1 A 11 11 ILE N N 11 119.127 119.955 -0.828 1
1 51 . 18 1 1 A 11 11 ILE H H 11 8.176 7.736 0.440 1
1 52 . 18 1 1 A 11 11 ILE CA C 11 61.153 61.198 -0.045 1
1 53 . 18 1 1 A 11 11 ILE HA H 11 4.553 4.122 0.431 1
1 54 . 18 1 1 A 11 11 ILE CB C 11 39.949 38.463 1.486 1
1 67 . 18 1 1 A 11 11 ILE C C 11 176.134 174.654 1.480 1
1 68 . 18 1 1 A 12 12 THR N N 12 124.682 123.788 0.894 1
1 69 . 18 1 1 A 12 12 THR H H 12 8.534 8.830 -0.296 1
1 70 . 18 1 1 A 12 12 THR CA C 12 61.630 61.060 0.570 1
1 71 . 18 1 1 A 12 12 THR HA H 12 4.359 4.500 -0.141 1
1 72 . 18 1 1 A 12 12 THR CB C 12 70.705 71.972 -1.267 1
1 78 . 18 1 1 A 12 12 THR C C 12 171.804 173.080 -1.276 1
1 79 . 18 1 1 A 13 13 TYR N N 13 124.043 125.358 -1.315 1
1 80 . 18 1 1 A 13 13 TYR H H 13 8.691 8.471 0.220 1
1 81 . 18 1 1 A 13 13 TYR CA C 13 57.846 57.196 0.650 1
1 82 . 18 1 1 A 13 13 TYR HA H 13 5.099 5.461 -0.362 1
1 83 . 18 1 1 A 13 13 TYR CB C 13 39.895 40.284 -0.389 1
1 94 . 18 1 1 A 13 13 TYR C C 13 175.924 175.399 0.525 1
1 95 . 18 1 1 A 14 14 VAL N N 14 124.012 121.516 2.496 1
1 96 . 18 1 1 A 14 14 VAL H H 14 8.633 8.780 -0.147 1
1 97 . 18 1 1 A 14 14 VAL CA C 14 60.958 59.590 1.368 1
1 98 . 18 1 1 A 14 14 VAL HA H 14 4.015 4.732 -0.717 1
1 99 . 18 1 1 A 14 14 VAL CB C 14 35.416 34.997 0.419 1
1 109 . 18 1 1 A 14 14 VAL C C 14 173.974 173.576 0.398 1
1 110 . 18 1 1 A 15 15 LYS N N 15 127.960 126.308 1.652 1
1 111 . 18 1 1 A 15 15 LYS H H 15 8.318 8.741 -0.423 1
1 112 . 18 1 1 A 15 15 LYS CA C 15 54.152 54.924 -0.772 1
1 113 . 18 1 1 A 15 15 LYS HA H 15 5.126 5.116 0.010 1
1 114 . 18 1 1 A 15 15 LYS CB C 15 32.086 34.721 -2.635 1
1 126 . 18 1 1 A 15 15 LYS C C 15 176.050 175.214 0.836 1
1 127 . 18 1 1 A 16 16 GLY N N 16 114.545 112.460 2.085 1
1 128 . 18 1 1 A 16 16 GLY H H 16 8.508 8.334 0.174 1
1 129 . 18 1 1 A 16 16 GLY CA C 16 45.006 43.862 1.144 1
1 130 . 18 1 1 A 16 16 GLY HA2 H 16 4.028 4.106 -0.078 1
1 131 . 18 1 1 A 16 16 GLY HA3 H 16 4.197 4.129 0.068 1
1 132 . 18 1 1 A 16 16 GLY C C 16 170.957 173.290 -2.333 1
1 133 . 18 1 1 A 17 17 ASP N N 17 119.423 121.266 -1.843 1
1 134 . 18 1 1 A 17 17 ASP H H 17 8.271 8.654 -0.383 1
1 135 . 18 1 1 A 17 17 ASP CA C 17 53.164 55.230 -2.066 1
1 136 . 18 1 1 A 17 17 ASP HA H 17 4.407 4.400 0.007 1
1 137 . 18 1 1 A 17 17 ASP CB C 17 41.912 41.827 0.085 1
1 140 . 18 1 1 A 17 17 ASP C C 17 176.089 176.095 -0.006 1
1 141 . 18 1 1 A 18 18 LEU N N 18 130.056 124.536 5.520 1
1 142 . 18 1 1 A 18 18 LEU H H 18 8.304 8.612 -0.308 1
1 143 . 18 1 1 A 18 18 LEU CA C 18 57.156 55.401 1.755 1
1 144 . 18 1 1 A 18 18 LEU HA H 18 2.425 3.810 -1.385 1
1 145 . 18 1 1 A 18 18 LEU CB C 18 42.959 43.741 -0.782 1
1 158 . 18 1 1 A 18 18 LEU C C 18 175.737 177.830 -2.093 1
1 159 . 18 1 1 A 19 19 PHE N N 19 109.678 116.756 -7.078 1
1 160 . 18 1 1 A 19 19 PHE H H 19 7.461 7.472 -0.011 1
1 161 . 18 1 1 A 19 19 PHE CA C 19 59.844 58.751 1.093 1
1 162 . 18 1 1 A 19 19 PHE HA H 19 3.920 4.529 -0.609 1
1 163 . 18 1 1 A 19 19 PHE CB C 19 36.735 40.726 -3.991 1
1 176 . 18 1 1 A 19 19 PHE C C 19 175.833 176.838 -1.005 1
1 177 . 18 1 1 A 20 20 ALA N N 20 123.506 121.895 1.611 1
1 178 . 18 1 1 A 20 20 ALA H H 20 7.752 7.814 -0.062 1
1 179 . 18 1 1 A 20 20 ALA CA C 20 51.160 53.605 -2.445 1
1 180 . 18 1 1 A 20 20 ALA HA H 20 4.518 4.290 0.228 1
1 181 . 18 1 1 A 20 20 ALA CB C 20 18.395 19.203 -0.808 1
1 185 . 18 1 1 A 20 20 ALA C C 20 176.772 179.341 -2.569 1
1 186 . 18 1 1 A 21 21 CYS N N 21 118.823 117.145 1.678 1
1 187 . 18 1 1 A 21 21 CYS H H 21 7.225 7.970 -0.745 1
1 188 . 18 1 1 A 21 21 CYS CA C 21 56.813 63.379 -6.566 1
1 189 . 18 1 1 A 21 21 CYS HA H 21 4.580 4.172 0.408 1
1 190 . 18 1 1 A 21 21 CYS CB C 21 25.916 26.648 -0.732 1
1 193 . 18 1 1 A 21 21 CYS C C 21 170.919 174.795 -3.876 1
1 194 . 18 1 1 A 22 22 PRO CA C 22 64.000 62.673 1.327 1
1 195 . 18 1 1 A 22 22 PRO HA H 22 4.373 4.550 -0.177 1
1 196 . 18 1 1 A 22 22 PRO CB C 22 31.802 33.246 -1.444 1
1 205 . 18 1 1 A 22 22 PRO C C 22 178.609 176.678 1.931 1
1 206 . 18 1 1 A 23 23 LYS N N 23 122.870 119.837 3.033 1
1 207 . 18 1 1 A 23 23 LYS H H 23 8.785 8.854 -0.069 1
1 208 . 18 1 1 A 23 23 LYS CA C 23 58.671 56.885 1.786 1
1 209 . 18 1 1 A 23 23 LYS HA H 23 4.103 4.602 -0.499 1
1 210 . 18 1 1 A 23 23 LYS CB C 23 32.078 35.196 -3.118 1
1 222 . 18 1 1 A 23 23 LYS C C 23 175.722 178.020 -2.298 1
1 223 . 18 1 1 A 24 24 THR N N 24 102.744 105.605 -2.861 1
1 224 . 18 1 1 A 24 24 THR H H 24 7.097 7.561 -0.464 1
1 225 . 18 1 1 A 24 24 THR CA C 24 61.064 61.602 -0.538 1
1 226 . 18 1 1 A 24 24 THR HA H 24 4.166 4.560 -0.394 1
1 227 . 18 1 1 A 24 24 THR CB C 24 68.805 70.675 -1.870 1
1 233 . 18 1 1 A 24 24 THR C C 24 176.216 174.641 1.575 1
1 234 . 18 1 1 A 25 25 ASP N N 25 125.303 124.485 0.818 1
1 235 . 18 1 1 A 25 25 ASP H H 25 7.768 7.714 0.054 1
1 236 . 18 1 1 A 25 25 ASP CA C 25 55.246 55.007 0.239 1
1 237 . 18 1 1 A 25 25 ASP HA H 25 4.536 4.613 -0.077 1
1 238 . 18 1 1 A 25 25 ASP CB C 25 40.321 41.582 -1.261 1
1 241 . 18 1 1 A 25 25 ASP C C 25 177.718 175.765 1.953 1
1 242 . 18 1 1 A 26 26 SER N N 26 118.303 116.468 1.835 1
1 243 . 18 1 1 A 26 26 SER H H 26 8.472 8.659 -0.187 1
1 244 . 18 1 1 A 26 26 SER CA C 26 61.547 57.310 4.237 1
1 245 . 18 1 1 A 26 26 SER HA H 26 5.138 5.162 -0.024 1
1 246 . 18 1 1 A 26 26 SER CB C 26 65.326 66.596 -1.270 1
1 249 . 18 1 1 A 26 26 SER C C 26 172.446 172.978 -0.532 1
1 250 . 18 1 1 A 27 27 LEU N N 27 121.957 121.916 0.041 1
1 251 . 18 1 1 A 27 27 LEU H H 27 8.553 8.290 0.263 1
1 252 . 18 1 1 A 27 27 LEU CA C 27 53.919 53.484 0.435 1
1 253 . 18 1 1 A 27 27 LEU HA H 27 6.004 5.669 0.335 1
1 254 . 18 1 1 A 27 27 LEU CB C 27 48.728 45.649 3.079 1
1 267 . 18 1 1 A 27 27 LEU C C 27 176.071 175.763 0.308 1
1 268 . 18 1 1 A 28 28 ALA N N 28 119.120 122.540 -3.420 1
1 269 . 18 1 1 A 28 28 ALA H H 28 8.083 8.410 -0.327 1
1 270 . 18 1 1 A 28 28 ALA CA C 28 50.738 51.485 -0.747 1
1 271 . 18 1 1 A 28 28 ALA HA H 28 5.833 5.377 0.456 1
1 272 . 18 1 1 A 28 28 ALA CB C 28 24.493 22.797 1.696 1
1 276 . 18 1 1 A 28 28 ALA C C 28 174.396 175.664 -1.268 1
1 277 . 18 1 1 A 29 29 HIS N N 29 111.296 116.024 -4.728 1
1 278 . 18 1 1 A 29 29 HIS H H 29 8.042 8.413 -0.371 1
1 279 . 18 1 1 A 29 29 HIS CA C 29 55.617 54.137 1.480 1
1 280 . 18 1 1 A 29 29 HIS HA H 29 4.552 5.236 -0.684 1
1 281 . 18 1 1 A 29 29 HIS CB C 29 31.644 31.517 0.127 1
1 288 . 18 1 1 A 29 29 HIS C C 29 172.453 172.262 0.191 1
1 289 . 18 1 1 A 30 30 CYS N N 30 115.842 117.518 -1.676 1
1 290 . 18 1 1 A 30 30 CYS H H 30 8.182 8.726 -0.544 1
1 291 . 18 1 1 A 30 30 CYS CA C 30 57.610 56.957 0.653 1
1 292 . 18 1 1 A 30 30 CYS HA H 30 5.489 5.562 -0.073 1
1 293 . 18 1 1 A 30 30 CYS CB C 30 30.518 29.696 0.822 1
1 296 . 18 1 1 A 30 30 CYS C C 30 175.085 173.771 1.314 1
1 297 . 18 1 1 A 31 31 ILE N N 31 117.447 120.934 -3.487 1
1 298 . 18 1 1 A 31 31 ILE H H 31 9.209 9.155 0.054 1
1 299 . 18 1 1 A 31 31 ILE CA C 31 60.057 58.563 1.494 1
1 300 . 18 1 1 A 31 31 ILE HA H 31 4.816 4.905 -0.089 1
1 301 . 18 1 1 A 31 31 ILE CB C 31 43.206 42.197 1.009 1
1 314 . 18 1 1 A 31 31 ILE C C 31 173.249 175.122 -1.873 1
1 315 . 18 1 1 A 32 32 SER N N 32 111.596 116.657 -5.061 1
1 316 . 18 1 1 A 32 32 SER H H 32 7.858 8.351 -0.493 1
1 317 . 18 1 1 A 32 32 SER CA C 32 55.599 56.581 -0.982 1
1 318 . 18 1 1 A 32 32 SER HA H 32 5.139 4.982 0.157 1
1 319 . 18 1 1 A 32 32 SER CB C 32 66.377 66.262 0.115 1
1 322 . 18 1 1 A 32 32 SER C C 32 176.120 176.129 -0.009 1
1 323 . 18 1 1 A 33 33 GLU N N 33 118.525 120.480 -1.955 1
1 324 . 18 1 1 A 33 33 GLU H H 33 8.189 8.533 -0.344 1
1 325 . 18 1 1 A 33 33 GLU CA C 33 59.273 59.774 -0.501 1
1 326 . 18 1 1 A 33 33 GLU HA H 33 3.759 4.059 -0.300 1
1 327 . 18 1 1 A 33 33 GLU CB C 33 30.553 29.436 1.117 1
1 333 . 18 1 1 A 33 33 GLU C C 33 177.446 177.263 0.183 1
1 334 . 18 1 1 A 34 34 ASP N N 34 113.498 117.275 -3.777 1
1 335 . 18 1 1 A 34 34 ASP H H 34 7.480 7.829 -0.349 1
1 336 . 18 1 1 A 34 34 ASP CA C 34 54.511 52.920 1.591 1
1 337 . 18 1 1 A 34 34 ASP HA H 34 4.342 4.804 -0.462 1
1 338 . 18 1 1 A 34 34 ASP CB C 34 40.374 40.701 -0.327 1
1 341 . 18 1 1 A 34 34 ASP C C 34 175.854 176.096 -0.242 1
1 342 . 18 1 1 A 35 35 CYS N N 35 111.837 119.063 -7.226 1
1 343 . 18 1 1 A 35 35 CYS H H 35 8.327 7.677 0.650 1
1 344 . 18 1 1 A 35 35 CYS CA C 35 61.093 59.978 1.115 1
1 345 . 18 1 1 A 35 35 CYS HA H 35 3.772 4.131 -0.359 1
1 346 . 18 1 1 A 35 35 CYS CB C 35 25.679 25.487 0.192 1
1 349 . 18 1 1 A 35 35 CYS C C 35 173.370 174.106 -0.736 1
1 350 . 18 1 1 A 36 36 ARG N N 36 117.440 121.034 -3.594 1
1 351 . 18 1 1 A 36 36 ARG H H 36 7.473 8.071 -0.598 1
1 352 . 18 1 1 A 36 36 ARG CA C 36 57.988 54.704 3.284 1
1 353 . 18 1 1 A 36 36 ARG HA H 36 3.981 4.540 -0.559 1
1 354 . 18 1 1 A 36 36 ARG CB C 36 30.430 28.389 2.041 1
1 363 . 18 1 1 A 36 36 ARG C C 36 177.233 175.272 1.961 1
1 364 . 18 1 1 A 37 37 MET CA C 37 56.118 54.472 1.646 1
1 365 . 18 1 1 A 37 37 MET HA H 37 4.036 4.741 -0.705 1
1 373 . 18 1 1 A 38 38 GLY H H 38 8.192 8.623 -0.431 1
1 374 . 18 1 1 A 38 38 GLY CA C 38 45.670 45.868 -0.198 1
1 375 . 18 1 1 A 38 38 GLY HA2 H 38 4.220 4.098 0.122 1
1 376 . 18 1 1 A 38 38 GLY HA3 H 38 3.595 4.112 -0.517 1
1 377 . 18 1 1 A 38 38 GLY C C 38 173.799 173.091 0.708 1
1 378 . 18 1 1 A 39 39 ALA N N 39 122.002 121.822 0.180 1
1 379 . 18 1 1 A 39 39 ALA H H 39 7.697 7.778 -0.081 1
1 380 . 18 1 1 A 39 39 ALA CA C 39 51.019 51.737 -0.718 1
1 381 . 18 1 1 A 39 39 ALA HA H 39 4.678 4.705 -0.027 1
1 382 . 18 1 1 A 39 39 ALA CB C 39 22.608 22.124 0.484 1
1 386 . 18 1 1 A 39 39 ALA C C 39 176.769 176.699 0.070 1
1 387 . 18 1 1 A 40 40 GLY N N 40 107.149 112.364 -5.215 1
1 388 . 18 1 1 A 40 40 GLY H H 40 8.731 8.982 -0.251 1
1 389 . 18 1 1 A 40 40 GLY CA C 40 45.768 45.445 0.323 1
1 390 . 18 1 1 A 40 40 GLY HA2 H 40 3.957 4.030 -0.073 1
1 391 . 18 1 1 A 40 40 GLY HA3 H 40 4.220 4.039 0.181 1
1 392 . 18 1 1 A 40 40 GLY C C 40 176.747 175.201 1.546 1
1 393 . 18 1 1 A 41 41 ILE CA C 41 63.397 63.446 -0.049 1
1 394 . 18 1 1 A 41 41 ILE HA H 41 4.312 4.056 0.256 1
1 395 . 18 1 1 A 41 41 ILE CB C 41 38.794 37.890 0.904 1
1 408 . 18 1 1 A 41 41 ILE C C 41 177.249 178.096 -0.847 1
1 409 . 18 1 1 A 42 42 ALA N N 42 124.835 123.409 1.426 1
1 410 . 18 1 1 A 42 42 ALA H H 42 8.629 8.480 0.149 1
1 411 . 18 1 1 A 42 42 ALA CA C 42 55.599 55.506 0.093 1
1 412 . 18 1 1 A 42 42 ALA HA H 42 4.377 4.262 0.115 1
1 413 . 18 1 1 A 42 42 ALA CB C 42 18.155 18.520 -0.365 1
1 417 . 18 1 1 A 42 42 ALA C C 42 179.079 180.269 -1.190 1
1 418 . 18 1 1 A 43 43 VAL N N 43 116.015 118.571 -2.556 1
1 419 . 18 1 1 A 43 43 VAL H H 43 7.363 7.840 -0.477 1
1 420 . 18 1 1 A 43 43 VAL CA C 43 65.623 67.096 -1.473 1
1 421 . 18 1 1 A 43 43 VAL HA H 43 3.822 3.689 0.133 1
1 422 . 18 1 1 A 43 43 VAL CB C 43 32.408 31.594 0.814 1
1 432 . 18 1 1 A 43 43 VAL C C 43 178.285 178.210 0.075 1
1 433 . 18 1 1 A 44 44 LEU N N 44 119.736 119.566 0.170 1
1 434 . 18 1 1 A 44 44 LEU H H 44 7.357 8.146 -0.789 1
1 435 . 18 1 1 A 44 44 LEU CA C 44 57.460 58.134 -0.674 1
1 436 . 18 1 1 A 44 44 LEU HA H 44 3.968 3.885 0.083 1
1 437 . 18 1 1 A 44 44 LEU CB C 44 41.234 41.625 -0.391 1
1 450 . 18 1 1 A 44 44 LEU C C 44 179.972 179.286 0.686 1
1 451 . 18 1 1 A 45 45 PHE N N 45 118.434 118.265 0.169 1
1 452 . 18 1 1 A 45 45 PHE H H 45 7.733 7.532 0.201 1
1 453 . 18 1 1 A 45 45 PHE CA C 45 63.151 61.197 1.954 1
1 454 . 18 1 1 A 45 45 PHE HA H 45 4.009 4.208 -0.199 1
1 455 . 18 1 1 A 45 45 PHE CB C 45 39.883 38.531 1.352 1
1 468 . 18 1 1 A 45 45 PHE C C 45 180.448 178.774 1.674 1
1 469 . 18 1 1 A 46 46 LYS N N 46 124.749 118.040 6.709 1
1 470 . 18 1 1 A 46 46 LYS H H 46 8.819 8.184 0.635 1
1 471 . 18 1 1 A 46 46 LYS CA C 46 60.958 58.890 2.068 1
1 472 . 18 1 1 A 46 46 LYS HA H 46 4.160 4.203 -0.043 1
1 473 . 18 1 1 A 46 46 LYS CB C 46 31.930 32.006 -0.076 1
1 485 . 18 1 1 A 46 46 LYS C C 46 179.139 178.500 0.639 1
1 486 . 18 1 1 A 47 47 LYS N N 47 119.317 119.068 0.249 1
1 487 . 18 1 1 A 47 47 LYS H H 47 8.154 7.682 0.472 1
1 488 . 18 1 1 A 47 47 LYS CA C 47 59.331 58.594 0.737 1
1 489 . 18 1 1 A 47 47 LYS HA H 47 3.939 4.222 -0.283 1
1 490 . 18 1 1 A 47 47 LYS CB C 47 33.065 32.882 0.183 1
1 502 . 18 1 1 A 47 47 LYS C C 47 178.108 178.598 -0.490 1
1 503 . 18 1 1 A 48 48 LYS N N 48 116.005 120.011 -4.006 1
1 504 . 18 1 1 A 48 48 LYS H H 48 7.976 8.079 -0.103 1
1 505 . 18 1 1 A 48 48 LYS CA C 48 58.650 58.507 0.143 1
1 506 . 18 1 1 A 48 48 LYS HA H 48 3.684 3.626 0.058 1
1 507 . 18 1 1 A 48 48 LYS CB C 48 32.372 31.246 1.126 1
1 519 . 18 1 1 A 48 48 LYS C C 48 178.213 176.803 1.410 1
1 520 . 18 1 1 A 49 49 PHE N N 49 112.629 115.435 -2.806 1
1 521 . 18 1 1 A 49 49 PHE H H 49 7.658 8.233 -0.575 1
1 522 . 18 1 1 A 49 49 PHE CA C 49 56.958 57.158 -0.200 1
1 523 . 18 1 1 A 49 49 PHE HA H 49 5.028 4.892 0.136 1
1 524 . 18 1 1 A 49 49 PHE CB C 49 40.496 38.884 1.612 1
1 537 . 18 1 1 A 49 49 PHE C C 49 176.188 176.849 -0.661 1
1 538 . 18 1 1 A 50 50 GLY N N 50 108.499 109.158 -0.659 1
1 539 . 18 1 1 A 50 50 GLY H H 50 7.821 8.484 -0.663 1
1 540 . 18 1 1 A 50 50 GLY CA C 50 46.579 47.312 -0.733 1
1 541 . 18 1 1 A 50 50 GLY HA2 H 50 3.953 3.795 0.158 1
1 542 . 18 1 1 A 50 50 GLY HA3 H 50 3.953 3.848 0.105 1
1 543 . 18 1 1 A 50 50 GLY C C 50 174.288 175.535 -1.247 1
1 544 . 18 1 1 A 51 51 GLY N N 51 108.968 106.883 2.085 1
1 545 . 18 1 1 A 51 51 GLY H H 51 8.600 8.044 0.556 1
1 546 . 18 1 1 A 51 51 GLY CA C 51 46.597 47.157 -0.560 1
1 547 . 18 1 1 A 51 51 GLY HA2 H 51 3.943 3.886 0.057 1
1 548 . 18 1 1 A 51 51 GLY HA3 H 51 4.047 3.896 0.151 1
1 549 . 18 1 1 A 51 51 GLY C C 51 174.522 175.456 -0.934 1
1 550 . 18 1 1 A 52 52 VAL N N 52 118.929 119.738 -0.809 1
1 551 . 18 1 1 A 52 52 VAL H H 52 7.980 8.013 -0.033 1
1 552 . 18 1 1 A 52 52 VAL CA C 52 68.080 65.537 2.543 1
1 553 . 18 1 1 A 52 52 VAL HA H 52 3.334 3.715 -0.381 1
1 554 . 18 1 1 A 52 52 VAL CB C 52 31.150 31.288 -0.138 1
1 564 . 18 1 1 A 52 52 VAL C C 52 177.566 177.753 -0.187 1
1 565 . 18 1 1 A 53 53 GLN N N 53 116.880 120.780 -3.900 1
1 566 . 18 1 1 A 53 53 GLN H H 53 8.513 7.951 0.562 1
1 567 . 18 1 1 A 53 53 GLN CA C 53 58.730 58.864 -0.134 1
1 568 . 18 1 1 A 53 53 GLN HA H 53 3.946 4.032 -0.086 1
1 569 . 18 1 1 A 53 53 GLN CB C 53 28.098 28.517 -0.419 1
1 578 . 18 1 1 A 53 53 GLN C C 53 177.916 178.692 -0.776 1
1 579 . 18 1 1 A 54 54 GLU N N 54 119.584 119.749 -0.165 1
1 580 . 18 1 1 A 54 54 GLU H H 54 7.525 8.171 -0.646 1
1 581 . 18 1 1 A 54 54 GLU CA C 54 59.754 59.214 0.540 1
1 582 . 18 1 1 A 54 54 GLU HA H 54 3.980 4.068 -0.088 1
1 583 . 18 1 1 A 54 54 GLU CB C 54 29.509 29.231 0.278 1
1 589 . 18 1 1 A 54 54 GLU C C 54 180.168 179.428 0.740 1
1 590 . 18 1 1 A 55 55 LEU N N 55 121.130 120.411 0.719 1
1 591 . 18 1 1 A 55 55 LEU H H 55 8.437 8.246 0.191 1
1 592 . 18 1 1 A 55 55 LEU CA C 55 58.005 57.510 0.495 1
1 593 . 18 1 1 A 55 55 LEU HA H 55 3.870 3.976 -0.106 1
1 594 . 18 1 1 A 55 55 LEU CB C 55 42.588 41.760 0.828 1
1 607 . 18 1 1 A 55 55 LEU C C 55 180.835 179.355 1.480 1
1 608 . 18 1 1 A 56 56 LEU N N 56 123.508 118.301 5.207 1
1 609 . 18 1 1 A 56 56 LEU H H 56 8.664 7.902 0.762 1
1 610 . 18 1 1 A 56 56 LEU CA C 56 58.397 57.722 0.675 1
1 611 . 18 1 1 A 56 56 LEU HA H 56 3.972 3.917 0.055 1
1 612 . 18 1 1 A 56 56 LEU CB C 56 42.087 41.286 0.801 1
1 625 . 18 1 1 A 56 56 LEU C C 56 181.257 179.449 1.808 1
1 626 . 18 1 1 A 57 57 ASN N N 57 116.946 118.639 -1.693 1
1 627 . 18 1 1 A 57 57 ASN H H 57 8.334 8.136 0.198 1
1 628 . 18 1 1 A 57 57 ASN CA C 57 54.627 56.491 -1.864 1
1 629 . 18 1 1 A 57 57 ASN HA H 57 4.566 4.415 0.151 1
1 630 . 18 1 1 A 57 57 ASN CB C 57 38.170 37.716 0.454 1
1 636 . 18 1 1 A 57 57 ASN C C 57 176.756 178.473 -1.717 1
1 637 . 18 1 1 A 58 58 GLN N N 58 118.214 117.667 0.547 1
1 638 . 18 1 1 A 58 58 GLN H H 58 7.670 7.526 0.144 1
1 639 . 18 1 1 A 58 58 GLN CA C 58 58.022 57.119 0.903 1
1 640 . 18 1 1 A 58 58 GLN HA H 58 4.184 4.196 -0.012 1
1 641 . 18 1 1 A 58 58 GLN CB C 58 28.460 28.298 0.162 1
1 650 . 18 1 1 A 58 58 GLN C C 58 175.792 175.562 0.230 1
1 651 . 18 1 1 A 59 59 GLN N N 59 114.113 116.407 -2.294 1
1 652 . 18 1 1 A 59 59 GLN H H 59 7.825 8.014 -0.189 1
1 653 . 18 1 1 A 59 59 GLN CA C 59 56.584 56.852 -0.268 1
1 654 . 18 1 1 A 59 59 GLN HA H 59 4.015 3.814 0.201 1
1 655 . 18 1 1 A 59 59 GLN CB C 59 26.829 26.285 0.544 1
1 664 . 18 1 1 A 59 59 GLN C C 59 175.049 175.140 -0.091 1
1 665 . 18 1 1 A 60 60 LYS N N 60 118.472 119.135 -0.663 1
1 666 . 18 1 1 A 60 60 LYS H H 60 9.134 8.187 0.947 1
1 667 . 18 1 1 A 60 60 LYS CA C 60 54.005 56.390 -2.385 1
1 668 . 18 1 1 A 60 60 LYS HA H 60 4.458 4.299 0.159 1
1 669 . 18 1 1 A 60 60 LYS CB C 60 32.573 33.455 -0.882 1
1 681 . 18 1 1 A 60 60 LYS C C 60 176.936 175.838 1.098 1
1 682 . 18 1 1 A 61 61 LYS N N 61 121.877 121.013 0.864 1
1 683 . 18 1 1 A 61 61 LYS H H 61 9.069 8.738 0.331 1
1 684 . 18 1 1 A 61 61 LYS CA C 61 53.421 54.262 -0.841 1
1 685 . 18 1 1 A 61 61 LYS HA H 61 4.517 4.844 -0.327 1
1 686 . 18 1 1 A 61 61 LYS CB C 61 35.816 36.451 -0.635 1
1 698 . 18 1 1 A 61 61 LYS C C 61 175.049 176.425 -1.376 1
1 699 . 18 1 1 A 62 62 SER N N 62 114.153 118.274 -4.121 1
1 700 . 18 1 1 A 62 62 SER H H 62 8.524 8.514 0.010 1
1 701 . 18 1 1 A 62 62 SER CA C 62 60.959 60.528 0.431 1
1 702 . 18 1 1 A 62 62 SER HA H 62 3.954 4.022 -0.068 1
1 703 . 18 1 1 A 62 62 SER CB C 62 64.374 62.949 1.425 1
1 706 . 18 1 1 A 62 62 SER C C 62 175.660 175.531 0.129 1
1 707 . 18 1 1 A 63 63 GLY N N 63 111.615 113.039 -1.424 1
1 708 . 18 1 1 A 63 63 GLY H H 63 9.308 8.366 0.942 1
1 709 . 18 1 1 A 63 63 GLY CA C 63 44.971 45.317 -0.346 1
1 710 . 18 1 1 A 63 63 GLY HA2 H 63 4.188 3.988 0.200 1
1 711 . 18 1 1 A 63 63 GLY HA3 H 63 4.188 3.991 0.197 1
1 712 . 18 1 1 A 63 63 GLY C C 63 172.420 173.340 -0.920 1
1 713 . 18 1 1 A 64 64 GLU N N 64 117.287 121.342 -4.055 1
1 714 . 18 1 1 A 64 64 GLU H H 64 7.909 8.034 -0.125 1
1 715 . 18 1 1 A 64 64 GLU CA C 64 53.972 55.042 -1.070 1
1 716 . 18 1 1 A 64 64 GLU HA H 64 4.549 4.753 -0.204 1
1 717 . 18 1 1 A 64 64 GLU CB C 64 32.449 32.324 0.125 1
1 723 . 18 1 1 A 64 64 GLU C C 64 174.611 174.991 -0.380 1
1 724 . 18 1 1 A 65 65 VAL N N 65 118.093 121.699 -3.606 1
1 725 . 18 1 1 A 65 65 VAL H H 65 8.337 8.872 -0.535 1
1 726 . 18 1 1 A 65 65 VAL CA C 65 59.380 59.617 -0.237 1
1 727 . 18 1 1 A 65 65 VAL HA H 65 5.149 5.024 0.125 1
1 728 . 18 1 1 A 65 65 VAL CB C 65 35.892 35.667 0.225 1
1 738 . 18 1 1 A 65 65 VAL C C 65 172.013 173.700 -1.687 1
1 739 . 18 1 1 A 66 66 ALA N N 66 130.790 129.429 1.361 1
1 740 . 18 1 1 A 66 66 ALA H H 66 8.876 8.987 -0.111 1
1 741 . 18 1 1 A 66 66 ALA CA C 66 50.170 50.318 -0.148 1
1 742 . 18 1 1 A 66 66 ALA HA H 66 4.879 5.382 -0.503 1
1 743 . 18 1 1 A 66 66 ALA CB C 66 21.291 22.613 -1.322 1
1 747 . 18 1 1 A 66 66 ALA C C 66 175.997 176.150 -0.153 1
1 748 . 18 1 1 A 67 67 VAL N N 67 119.453 120.326 -0.873 1
1 749 . 18 1 1 A 67 67 VAL H H 67 8.615 8.541 0.074 1
1 750 . 18 1 1 A 67 67 VAL CA C 67 61.078 60.653 0.425 1
1 751 . 18 1 1 A 67 67 VAL HA H 67 5.255 5.258 -0.003 1
1 752 . 18 1 1 A 67 67 VAL CB C 67 36.283 35.238 1.045 1
1 762 . 18 1 1 A 67 67 VAL C C 67 176.213 174.695 1.518 1
1 763 . 18 1 1 A 68 68 LEU N N 68 126.404 127.833 -1.429 1
1 764 . 18 1 1 A 68 68 LEU H H 68 9.013 8.484 0.529 1
1 765 . 18 1 1 A 68 68 LEU CA C 68 53.424 54.197 -0.773 1
1 766 . 18 1 1 A 68 68 LEU HA H 68 4.809 4.984 -0.175 1
1 767 . 18 1 1 A 68 68 LEU CB C 68 46.473 45.977 0.496 1
1 780 . 18 1 1 A 68 68 LEU C C 68 174.704 174.196 0.508 1
1 781 . 18 1 1 A 69 69 LYS N N 69 123.462 127.881 -4.419 1
1 782 . 18 1 1 A 69 69 LYS H H 69 8.756 9.000 -0.244 1
1 783 . 18 1 1 A 69 69 LYS CA C 69 55.228 55.772 -0.544 1
1 784 . 18 1 1 A 69 69 LYS HA H 69 4.791 4.868 -0.077 1
1 785 . 18 1 1 A 69 69 LYS CB C 69 33.820 32.830 0.990 1
1 797 . 18 1 1 A 69 69 LYS C C 69 177.387 175.877 1.510 1
1 798 . 18 1 1 A 70 70 ARG N N 70 127.852 128.557 -0.705 1
1 799 . 18 1 1 A 70 70 ARG H H 70 8.688 8.494 0.194 1
1 800 . 18 1 1 A 70 70 ARG CA C 70 52.929 57.375 -4.446 1
1 801 . 18 1 1 A 70 70 ARG CB C 70 34.028 32.158 1.870 1
1 809 . 18 1 1 A 70 70 ARG C C 70 175.460 175.403 0.057 1
1 810 . 18 1 1 A 71 71 ASP CA C 71 55.193 52.383 2.810 1
1 811 . 18 1 1 A 71 71 ASP HA H 71 4.268 4.784 -0.516 1
1 812 . 18 1 1 A 71 71 ASP CB C 71 40.326 41.624 -1.298 1
1 815 . 18 1 1 A 71 71 ASP C C 71 175.970 175.690 0.280 1
1 816 . 18 1 1 A 72 72 GLY N N 72 104.319 113.148 -8.829 1
1 817 . 18 1 1 A 72 72 GLY H H 72 8.642 8.599 0.043 1
1 818 . 18 1 1 A 72 72 GLY CA C 72 45.692 46.833 -1.141 1
1 819 . 18 1 1 A 72 72 GLY HA2 H 72 4.062 3.800 0.262 1
1 820 . 18 1 1 A 72 72 GLY HA3 H 72 3.516 3.828 -0.312 1
1 821 . 18 1 1 A 72 72 GLY C C 72 172.604 173.259 -0.655 1
1 822 . 18 1 1 A 73 73 ARG N N 73 118.257 115.601 2.656 1
1 823 . 18 1 1 A 73 73 ARG H H 73 7.794 7.360 0.434 1
1 824 . 18 1 1 A 73 73 ARG CA C 73 52.893 53.844 -0.951 1
1 825 . 18 1 1 A 73 73 ARG HA H 73 4.560 4.483 0.077 1
1 826 . 18 1 1 A 73 73 ARG CB C 73 31.831 32.913 -1.082 1
1 837 . 18 1 1 A 73 73 ARG C C 73 173.057 173.683 -0.626 1
1 838 . 18 1 1 A 74 74 TYR N N 74 117.830 120.231 -2.401 1
1 839 . 18 1 1 A 74 74 TYR H H 74 8.366 8.282 0.084 1
1 840 . 18 1 1 A 74 74 TYR CA C 74 57.987 56.875 1.112 1
1 841 . 18 1 1 A 74 74 TYR HA H 74 5.005 5.060 -0.055 1
1 842 . 18 1 1 A 74 74 TYR CB C 74 40.473 39.203 1.270 1
1 853 . 18 1 1 A 74 74 TYR C C 74 173.530 174.736 -1.206 1
1 854 . 18 1 1 A 75 75 ILE N N 75 120.880 125.218 -4.338 1
1 855 . 18 1 1 A 75 75 ILE H H 75 8.923 8.705 0.218 1
1 856 . 18 1 1 A 75 75 ILE CA C 75 59.632 61.130 -1.498 1
1 857 . 18 1 1 A 75 75 ILE HA H 75 4.398 4.215 0.183 1
1 858 . 18 1 1 A 75 75 ILE CB C 75 37.608 37.684 -0.076 1
1 871 . 18 1 1 A 75 75 ILE C C 75 174.203 175.203 -1.000 1
1 872 . 18 1 1 A 76 76 TYR N N 76 125.586 127.808 -2.222 1
1 873 . 18 1 1 A 76 76 TYR H H 76 9.540 9.070 0.470 1
1 874 . 18 1 1 A 76 76 TYR CA C 76 59.137 56.612 2.525 1
1 875 . 18 1 1 A 76 76 TYR HA H 76 4.630 5.617 -0.987 1
1 876 . 18 1 1 A 76 76 TYR CB C 76 39.909 40.716 -0.807 1
1 887 . 18 1 1 A 76 76 TYR C C 76 174.280 174.771 -0.491 1
1 888 . 18 1 1 A 77 77 TYR N N 77 123.524 121.917 1.607 1
1 889 . 18 1 1 A 77 77 TYR H H 77 9.221 9.027 0.194 1
1 890 . 18 1 1 A 77 77 TYR CA C 77 55.476 56.409 -0.933 1
1 891 . 18 1 1 A 77 77 TYR HA H 77 4.155 5.197 -1.042 1
1 892 . 18 1 1 A 77 77 TYR CB C 77 35.926 39.092 -3.166 1
1 903 . 18 1 1 A 77 77 TYR C C 77 174.236 175.110 -0.874 1
1 904 . 18 1 1 A 78 78 LEU N N 78 123.875 125.514 -1.639 1
1 905 . 18 1 1 A 78 78 LEU H H 78 8.948 8.734 0.214 1
1 906 . 18 1 1 A 78 78 LEU CA C 78 55.635 55.933 -0.298 1
1 907 . 18 1 1 A 78 78 LEU HA H 78 4.134 4.378 -0.244 1
1 908 . 18 1 1 A 78 78 LEU CB C 78 40.856 41.888 -1.032 1
1 921 . 18 1 1 A 78 78 LEU C C 78 175.294 176.215 -0.921 1
1 922 . 18 1 1 A 79 79 ILE N N 79 127.986 124.783 3.203 1
1 923 . 18 1 1 A 79 79 ILE H H 79 8.322 8.473 -0.151 1
1 924 . 18 1 1 A 79 79 ILE CA C 79 59.349 60.120 -0.771 1
1 925 . 18 1 1 A 79 79 ILE HA H 79 4.372 4.616 -0.244 1
1 926 . 18 1 1 A 79 79 ILE CB C 79 34.277 39.652 -5.375 1
1 939 . 18 1 1 A 79 79 ILE C C 79 176.505 176.467 0.038 1
1 940 . 18 1 1 A 80 80 THR N N 80 113.978 117.024 -3.046 1
1 941 . 18 1 1 A 80 80 THR H H 80 8.276 8.719 -0.443 1
1 942 . 18 1 1 A 80 80 THR CA C 80 61.646 62.099 -0.453 1
1 943 . 18 1 1 A 80 80 THR HA H 80 4.334 4.636 -0.302 1
1 944 . 18 1 1 A 80 80 THR CB C 80 69.165 70.420 -1.255 1
1 950 . 18 1 1 A 80 80 THR C C 80 172.999 174.050 -1.051 1
1 951 . 18 1 1 A 81 81 LYS N N 81 114.856 119.611 -4.755 1
1 952 . 18 1 1 A 81 81 LYS H H 81 7.512 7.648 -0.136 1
1 953 . 18 1 1 A 81 81 LYS CA C 81 54.894 54.790 0.104 1
1 954 . 18 1 1 A 81 81 LYS HA H 81 4.649 4.861 -0.212 1
1 955 . 18 1 1 A 81 81 LYS CB C 81 34.139 34.739 -0.600 1
1 964 . 18 1 1 A 81 81 LYS C C 81 175.344 175.979 -0.635 1
1 965 . 18 1 1 A 82 82 LYS N N 82 121.209 118.570 2.639 1
1 966 . 18 1 1 A 82 82 LYS H H 82 9.577 8.859 0.718 1
1 967 . 18 1 1 A 82 82 LYS CA C 82 60.198 57.106 3.092 1
1 968 . 18 1 1 A 82 82 LYS HA H 82 3.884 4.529 -0.645 1
1 969 . 18 1 1 A 82 82 LYS CB C 82 33.603 33.542 0.061 1
1 981 . 18 1 1 A 82 82 LYS C C 82 176.049 176.710 -0.661 1
1 982 . 18 1 1 A 83 83 ARG N N 83 112.456 117.310 -4.854 1
1 983 . 18 1 1 A 83 83 ARG H H 83 6.717 7.880 -1.163 1
1 984 . 18 1 1 A 83 83 ARG CA C 83 52.451 54.074 -1.623 1
1 985 . 18 1 1 A 83 83 ARG HA H 83 4.691 4.671 0.020 1
1 986 . 18 1 1 A 83 83 ARG CB C 83 32.857 33.769 -0.912 1
1 995 . 18 1 1 A 83 83 ARG C C 83 177.299 176.339 0.960 1
1 996 . 18 1 1 A 84 84 ALA N N 84 124.857 125.146 -0.289 1
1 997 . 18 1 1 A 84 84 ALA H H 84 9.290 8.922 0.368 1
1 998 . 18 1 1 A 84 84 ALA CA C 84 56.005 55.654 0.351 1
1 999 . 18 1 1 A 84 84 ALA HA H 84 3.895 4.001 -0.106 1
1 1000 . 18 1 1 A 84 84 ALA CB C 84 19.175 18.281 0.894 1
1 1004 . 18 1 1 A 84 84 ALA C C 84 178.350 179.515 -1.165 1
1 1005 . 18 1 1 A 85 85 SER CA C 85 58.631 62.324 -3.693 1
1 1006 . 18 1 1 A 85 85 SER HA H 85 4.338 4.116 0.222 1
1 1007 . 18 1 1 A 85 85 SER CB C 85 63.277 62.879 0.398 1
1 1010 . 18 1 1 A 85 85 SER C C 85 175.469 175.150 0.319 1
1 1011 . 18 1 1 A 86 86 HIS N N 86 121.978 117.084 4.894 1
1 1012 . 18 1 1 A 86 86 HIS H H 86 7.560 8.034 -0.474 1
1 1013 . 18 1 1 A 86 86 HIS CA C 86 54.468 55.154 -0.686 1
1 1014 . 18 1 1 A 86 86 HIS HA H 86 4.766 4.744 0.022 1
1 1015 . 18 1 1 A 86 86 HIS CB C 86 33.069 30.518 2.551 1
1 1022 . 18 1 1 A 86 86 HIS C C 86 174.466 174.636 -0.170 1
1 1023 . 18 1 1 A 87 87 LYS N N 87 122.014 124.446 -2.432 1
1 1024 . 18 1 1 A 87 87 LYS H H 87 8.693 8.650 0.043 1
1 1025 . 18 1 1 A 87 87 LYS CA C 87 53.283 54.233 -0.950 1
1 1026 . 18 1 1 A 87 87 LYS HA H 87 4.792 4.521 0.271 1
1 1027 . 18 1 1 A 87 87 LYS CB C 87 32.803 31.951 0.852 1
1 1037 . 18 1 1 A 87 87 LYS C C 87 175.072 174.683 0.389 1
1 1038 . 18 1 1 A 88 88 PRO CA C 88 62.515 62.929 -0.414 1
1 1039 . 18 1 1 A 88 88 PRO HA H 88 4.796 4.649 0.147 1
1 1040 . 18 1 1 A 88 88 PRO CB C 88 32.687 32.099 0.588 1
1 1049 . 18 1 1 A 88 88 PRO C C 88 175.319 176.540 -1.221 1
1 1050 . 18 1 1 A 89 89 THR N N 89 107.501 112.476 -4.975 1
1 1051 . 18 1 1 A 89 89 THR H H 89 7.933 8.099 -0.166 1
1 1052 . 18 1 1 A 89 89 THR CA C 89 58.518 60.103 -1.585 1
1 1053 . 18 1 1 A 89 89 THR HA H 89 4.758 4.378 0.380 1
1 1054 . 18 1 1 A 89 89 THR CB C 89 70.861 71.243 -0.382 1
1 1060 . 18 1 1 A 89 89 THR C C 89 175.662 175.714 -0.052 1
1 1061 . 18 1 1 A 90 90 TYR N N 90 120.845 123.121 -2.276 1
1 1062 . 18 1 1 A 90 90 TYR H H 90 8.751 8.805 -0.054 1
1 1063 . 18 1 1 A 90 90 TYR CA C 90 63.195 61.116 2.079 1
1 1064 . 18 1 1 A 90 90 TYR HA H 90 4.064 4.151 -0.087 1
1 1065 . 18 1 1 A 90 90 TYR CB C 90 37.372 37.823 -0.451 1
1 1076 . 18 1 1 A 90 90 TYR C C 90 178.063 178.123 -0.060 1
1 1077 . 18 1 1 A 91 91 GLU N N 91 118.210 120.205 -1.995 1
1 1078 . 18 1 1 A 91 91 GLU H H 91 8.857 8.283 0.574 1
1 1079 . 18 1 1 A 91 91 GLU CA C 91 60.312 59.669 0.643 1
1 1080 . 18 1 1 A 91 91 GLU HA H 91 4.114 4.012 0.102 1
1 1081 . 18 1 1 A 91 91 GLU CB C 91 29.276 29.107 0.169 1
1 1087 . 18 1 1 A 91 91 GLU C C 91 178.970 178.957 0.013 1
1 1088 . 18 1 1 A 92 92 ASN N N 92 117.220 118.445 -1.225 1
1 1089 . 18 1 1 A 92 92 ASN H H 92 7.894 7.585 0.309 1
1 1090 . 18 1 1 A 92 92 ASN CA C 92 55.334 56.376 -1.042 1
1 1091 . 18 1 1 A 92 92 ASN HA H 92 4.696 4.444 0.252 1
1 1092 . 18 1 1 A 92 92 ASN CB C 92 37.704 38.306 -0.602 1
1 1098 . 18 1 1 A 92 92 ASN C C 92 178.155 177.804 0.351 1
1 1099 . 18 1 1 A 93 93 LEU N N 93 121.622 121.298 0.324 1
1 1100 . 18 1 1 A 93 93 LEU H H 93 8.038 7.902 0.136 1
1 1101 . 18 1 1 A 93 93 LEU CA C 93 58.495 58.988 -0.493 1
1 1102 . 18 1 1 A 93 93 LEU HA H 93 4.092 3.986 0.106 1
1 1103 . 18 1 1 A 93 93 LEU CB C 93 41.383 41.898 -0.515 1
1 1116 . 18 1 1 A 93 93 LEU C C 93 177.808 178.576 -0.768 1
1 1117 . 18 1 1 A 94 94 GLN N N 94 120.352 118.227 2.125 1
1 1118 . 18 1 1 A 94 94 GLN H H 94 8.792 8.106 0.686 1
1 1119 . 18 1 1 A 94 94 GLN CA C 94 61.099 59.302 1.797 1
1 1120 . 18 1 1 A 94 94 GLN HA H 94 3.721 3.997 -0.276 1
1 1121 . 18 1 1 A 94 94 GLN CB C 94 27.560 28.805 -1.245 1
1 1130 . 18 1 1 A 94 94 GLN C C 94 178.042 178.466 -0.424 1
1 1131 . 18 1 1 A 95 95 LYS N N 95 117.824 118.548 -0.724 1
1 1132 . 18 1 1 A 95 95 LYS H H 95 7.803 7.711 0.092 1
1 1133 . 18 1 1 A 95 95 LYS CA C 95 60.222 59.278 0.944 1
1 1134 . 18 1 1 A 95 95 LYS HA H 95 4.012 3.967 0.045 1
1 1135 . 18 1 1 A 95 95 LYS CB C 95 33.168 32.298 0.870 1
1 1147 . 18 1 1 A 95 95 LYS C C 95 179.868 179.042 0.826 1
1 1148 . 18 1 1 A 96 96 SER N N 96 118.301 116.040 2.261 1
1 1149 . 18 1 1 A 96 96 SER H H 96 8.251 8.206 0.045 1
1 1150 . 18 1 1 A 96 96 SER CA C 96 63.668 62.418 1.250 1
1 1151 . 18 1 1 A 96 96 SER HA H 96 3.710 4.134 -0.424 1
1 1152 . 18 1 1 A 96 96 SER CB C 96 62.882 62.715 0.167 1
1 1155 . 18 1 1 A 96 96 SER C C 96 176.400 176.319 0.081 1
1 1156 . 18 1 1 A 97 97 LEU N N 97 122.701 120.448 2.253 1
1 1157 . 18 1 1 A 97 97 LEU H H 97 8.467 8.286 0.181 1
1 1158 . 18 1 1 A 97 97 LEU CA C 97 58.323 57.933 0.390 1
1 1159 . 18 1 1 A 97 97 LEU HA H 97 3.861 4.020 -0.159 1
1 1160 . 18 1 1 A 97 97 LEU CB C 97 42.995 41.140 1.855 1
1 1173 . 18 1 1 A 97 97 LEU C C 97 178.941 179.415 -0.474 1
1 1174 . 18 1 1 A 98 98 GLU N N 98 119.918 118.593 1.325 1
1 1175 . 18 1 1 A 98 98 GLU H H 98 8.410 8.645 -0.235 1
1 1176 . 18 1 1 A 98 98 GLU CA C 98 59.561 59.544 0.017 1
1 1177 . 18 1 1 A 98 98 GLU HA H 98 3.622 3.880 -0.258 1
1 1178 . 18 1 1 A 98 98 GLU CB C 98 29.142 28.215 0.927 1
1 1184 . 18 1 1 A 98 98 GLU C C 98 179.137 178.162 0.975 1
1 1185 . 18 1 1 A 99 99 ALA N N 99 124.193 122.984 1.209 1
1 1186 . 18 1 1 A 99 99 ALA H H 99 8.197 7.889 0.308 1
1 1187 . 18 1 1 A 99 99 ALA CA C 99 55.016 54.370 0.646 1
1 1188 . 18 1 1 A 99 99 ALA HA H 99 4.247 4.175 0.072 1
1 1189 . 18 1 1 A 99 99 ALA CB C 99 17.815 18.594 -0.779 1
1 1193 . 18 1 1 A 99 99 ALA C C 99 181.133 179.276 1.857 1
1 1194 . 18 1 1 A 100 100 MET N N 100 122.009 118.174 3.835 1
1 1195 . 18 1 1 A 100 100 MET H H 100 8.482 7.876 0.606 1
1 1196 . 18 1 1 A 100 100 MET CA C 100 59.826 58.051 1.775 1
1 1197 . 18 1 1 A 100 100 MET HA H 100 3.714 3.991 -0.277 1
1 1198 . 18 1 1 A 100 100 MET CB C 100 32.944 32.240 0.704 1
1 1208 . 18 1 1 A 100 100 MET C C 100 176.658 177.827 -1.169 1
1 1209 . 18 1 1 A 101 101 LYS N N 101 120.991 118.524 2.467 1
1 1210 . 18 1 1 A 101 101 LYS H H 101 8.721 7.734 0.987 1
1 1211 . 18 1 1 A 101 101 LYS CA C 101 60.563 58.824 1.739 1
1 1212 . 18 1 1 A 101 101 LYS HA H 101 3.614 4.009 -0.395 1
1 1213 . 18 1 1 A 101 101 LYS CB C 101 30.759 31.971 -1.212 1
1 1225 . 18 1 1 A 101 101 LYS C C 101 177.419 178.291 -0.872 1
1 1226 . 18 1 1 A 102 102 SER N N 102 111.833 114.614 -2.781 1
1 1227 . 18 1 1 A 102 102 SER H H 102 8.005 7.899 0.106 1
1 1228 . 18 1 1 A 102 102 SER CA C 102 61.993 61.299 0.694 1
1 1229 . 18 1 1 A 102 102 SER HA H 102 4.082 4.126 -0.044 1
1 1230 . 18 1 1 A 102 102 SER CB C 102 62.863 62.992 -0.129 1
1 1233 . 18 1 1 A 102 102 SER C C 102 176.601 177.094 -0.493 1
1 1234 . 18 1 1 A 103 103 HIS N N 103 121.793 120.684 1.109 1
1 1235 . 18 1 1 A 103 103 HIS H H 103 7.605 7.836 -0.231 1
1 1236 . 18 1 1 A 103 103 HIS CA C 103 62.090 59.449 2.641 1
1 1237 . 18 1 1 A 103 103 HIS HA H 103 4.000 4.374 -0.374 1
1 1238 . 18 1 1 A 103 103 HIS CB C 103 30.652 30.023 0.629 1
1 1245 . 18 1 1 A 103 103 HIS C C 103 179.129 176.758 2.371 1
1 1246 . 18 1 1 A 104 104 CYS N N 104 119.421 116.880 2.541 1
1 1247 . 18 1 1 A 104 104 CYS H H 104 9.261 8.021 1.240 1
1 1248 . 18 1 1 A 104 104 CYS CA C 104 63.841 63.637 0.204 1
1 1249 . 18 1 1 A 104 104 CYS HA H 104 4.105 4.114 -0.009 1
1 1250 . 18 1 1 A 104 104 CYS CB C 104 27.916 27.065 0.851 1
1 1253 . 18 1 1 A 104 104 CYS C C 104 178.176 177.346 0.830 1
1 1254 . 18 1 1 A 105 105 LEU N N 105 117.129 120.613 -3.484 1
1 1255 . 18 1 1 A 105 105 LEU H H 105 8.331 7.950 0.381 1
1 1256 . 18 1 1 A 105 105 LEU CA C 105 57.262 58.065 -0.803 1
1 1257 . 18 1 1 A 105 105 LEU HA H 105 4.245 3.978 0.267 1
1 1258 . 18 1 1 A 105 105 LEU CB C 105 42.030 41.949 0.081 1
1 1271 . 18 1 1 A 105 105 LEU C C 105 180.635 179.044 1.591 1
1 1272 . 18 1 1 A 106 106 LYS N N 106 118.583 116.710 1.873 1
1 1273 . 18 1 1 A 106 106 LYS H H 106 7.638 7.865 -0.227 1
1 1274 . 18 1 1 A 106 106 LYS CA C 106 58.075 60.037 -1.962 1
1 1275 . 18 1 1 A 106 106 LYS HA H 106 4.140 3.843 0.297 1
1 1276 . 18 1 1 A 106 106 LYS CB C 106 33.191 32.270 0.921 1
1 1288 . 18 1 1 A 106 106 LYS C C 106 177.466 179.036 -1.570 1
1 1289 . 18 1 1 A 107 107 ASN N N 107 113.320 115.047 -1.727 1
1 1290 . 18 1 1 A 107 107 ASN H H 107 7.606 7.737 -0.131 1
1 1291 . 18 1 1 A 107 107 ASN CA C 107 53.813 54.947 -1.134 1
1 1292 . 18 1 1 A 107 107 ASN HA H 107 4.841 4.515 0.326 1
1 1293 . 18 1 1 A 107 107 ASN CB C 107 39.785 38.537 1.248 1
1 1299 . 18 1 1 A 107 107 ASN C C 107 174.443 175.943 -1.500 1
1 1300 . 18 1 1 A 108 108 GLY N N 108 109.386 104.807 4.579 1
1 1301 . 18 1 1 A 108 108 GLY H H 108 7.667 7.812 -0.145 1
1 1302 . 18 1 1 A 108 108 GLY CA C 108 47.252 45.102 2.150 1
1 1303 . 18 1 1 A 108 108 GLY HA2 H 108 4.023 4.092 -0.069 1
1 1304 . 18 1 1 A 108 108 GLY HA3 H 108 4.023 4.100 -0.077 1
1 1305 . 18 1 1 A 108 108 GLY C C 108 174.436 174.464 -0.028 1
1 1306 . 18 1 1 A 109 109 VAL N N 109 122.758 120.769 1.989 1
1 1307 . 18 1 1 A 109 109 VAL H H 109 8.480 8.099 0.381 1
1 1308 . 18 1 1 A 109 109 VAL CA C 109 63.788 61.680 2.108 1
1 1309 . 18 1 1 A 109 109 VAL HA H 109 4.094 4.335 -0.241 1
1 1310 . 18 1 1 A 109 109 VAL CB C 109 32.931 30.504 2.427 1
1 1320 . 18 1 1 A 109 109 VAL C C 109 176.089 175.933 0.156 1
1 1321 . 18 1 1 A 110 110 THR N N 110 115.431 122.709 -7.278 1
1 1322 . 18 1 1 A 110 110 THR H H 110 8.995 8.771 0.224 1
1 1323 . 18 1 1 A 110 110 THR CA C 110 62.045 63.639 -1.594 1
1 1324 . 18 1 1 A 110 110 THR HA H 110 4.515 4.412 0.103 1
1 1325 . 18 1 1 A 110 110 THR CB C 110 70.758 69.662 1.096 1
1 1331 . 18 1 1 A 110 110 THR C C 110 173.700 173.881 -0.181 1
1 1332 . 18 1 1 A 111 111 ASP N N 111 123.757 120.291 3.466 1
1 1333 . 18 1 1 A 111 111 ASP H H 111 8.123 7.701 0.422 1
1 1334 . 18 1 1 A 111 111 ASP CA C 111 54.747 53.039 1.708 1
1 1335 . 18 1 1 A 111 111 ASP HA H 111 5.527 5.244 0.283 1
1 1336 . 18 1 1 A 111 111 ASP CB C 111 43.928 43.482 0.446 1
1 1339 . 18 1 1 A 111 111 ASP C C 111 172.807 174.987 -2.180 1
1 1340 . 18 1 1 A 112 112 LEU N N 112 123.145 124.634 -1.489 1
1 1341 . 18 1 1 A 112 112 LEU H H 112 8.671 8.893 -0.222 1
1 1342 . 18 1 1 A 112 112 LEU CA C 112 52.953 53.881 -0.928 1
1 1343 . 18 1 1 A 112 112 LEU HA H 112 5.213 5.158 0.055 1
1 1344 . 18 1 1 A 112 112 LEU CB C 112 47.875 46.631 1.244 1
1 1357 . 18 1 1 A 112 112 LEU C C 112 176.803 173.912 2.891 1
1 1358 . 18 1 1 A 113 113 SER N N 113 122.973 120.121 2.852 1
1 1359 . 18 1 1 A 113 113 SER H H 113 9.473 8.383 1.090 1
1 1360 . 18 1 1 A 113 113 SER CA C 113 59.207 57.321 1.886 1
1 1361 . 18 1 1 A 113 113 SER HA H 113 6.070 5.594 0.476 1
1 1362 . 18 1 1 A 113 113 SER CB C 113 67.023 65.996 1.027 1
1 1365 . 18 1 1 A 113 113 SER C C 113 172.066 173.132 -1.066 1
1 1366 . 18 1 1 A 114 114 MET N N 114 118.476 122.123 -3.647 1
1 1367 . 18 1 1 A 114 114 MET H H 114 9.080 8.896 0.184 1
1 1368 . 18 1 1 A 114 114 MET CA C 114 54.007 53.210 0.797 1
1 1369 . 18 1 1 A 114 114 MET HA H 114 5.435 5.129 0.306 1
1 1370 . 18 1 1 A 114 114 MET CB C 114 34.867 36.003 -1.136 1
1 1380 . 18 1 1 A 114 114 MET C C 114 172.934 174.160 -1.226 1
1 1381 . 18 1 1 A 115 115 PRO CA C 115 62.262 62.280 -0.018 1
1 1382 . 18 1 1 A 115 115 PRO HA H 115 5.593 4.657 0.936 1
1 1383 . 18 1 1 A 115 115 PRO CB C 115 32.748 33.196 -0.448 1
1 1392 . 18 1 1 A 115 115 PRO C C 115 175.547 176.048 -0.501 1
1 1393 . 18 1 1 A 116 116 ARG N N 116 116.821 120.842 -4.021 1
1 1394 . 18 1 1 A 116 116 ARG H H 116 8.348 8.414 -0.066 1
1 1395 . 18 1 1 A 116 116 ARG CA C 116 55.785 55.969 -0.184 1
1 1396 . 18 1 1 A 116 116 ARG HA H 116 3.896 4.224 -0.328 1
1 1397 . 18 1 1 A 116 116 ARG CB C 116 27.344 30.557 -3.213 1
1 1406 . 18 1 1 A 116 116 ARG C C 116 176.796 176.090 0.706 1
1 1407 . 18 1 1 A 117 117 ILE N N 117 122.887 120.548 2.339 1
1 1408 . 18 1 1 A 117 117 ILE H H 117 7.989 8.674 -0.685 1
1 1409 . 18 1 1 A 117 117 ILE CA C 117 63.148 59.204 3.944 1
1 1410 . 18 1 1 A 117 117 ILE HA H 117 4.028 4.935 -0.907 1
1 1411 . 18 1 1 A 117 117 ILE CB C 117 40.010 40.560 -0.550 1
1 1424 . 18 1 1 A 117 117 ILE C C 117 174.324 176.051 -1.727 1
1 1425 . 18 1 1 A 118 118 GLY N N 118 107.320 113.384 -6.064 1
1 1426 . 18 1 1 A 118 118 GLY H H 118 8.662 8.564 0.098 1
1 1427 . 18 1 1 A 118 118 GLY CA C 118 45.752 45.368 0.384 1
1 1428 . 18 1 1 A 118 118 GLY HA2 H 118 3.693 4.112 -0.419 1
1 1429 . 18 1 1 A 118 118 GLY HA3 H 118 4.226 4.161 0.065 1
1 1430 . 18 1 1 A 118 118 GLY C C 118 172.861 175.014 -2.153 1
1 1431 . 18 1 1 A 119 119 CYS N N 119 115.336 119.028 -3.692 1
1 1432 . 18 1 1 A 119 119 CYS H H 119 7.445 8.067 -0.622 1
1 1433 . 18 1 1 A 119 119 CYS CA C 119 58.753 58.976 -0.223 1
1 1434 . 18 1 1 A 119 119 CYS HA H 119 4.831 4.596 0.235 1
1 1435 . 18 1 1 A 119 119 CYS CB C 119 28.840 29.030 -0.190 1
1 1438 . 18 1 1 A 121 121 LEU CA C 121 57.692 57.233 0.459 1
1 1439 . 18 1 1 A 121 121 LEU HA H 121 4.152 4.002 0.150 1
1 1440 . 18 1 1 A 121 121 LEU CB C 121 41.644 41.548 0.096 1
1 1453 . 18 1 1 A 123 123 ARG N N 123 107.909 116.008 -8.099 1
1 1454 . 18 1 1 A 123 123 ARG H H 123 7.536 7.963 -0.427 1
1 1455 . 18 1 1 A 123 123 ARG CA C 123 57.775 57.246 0.529 1
1 1456 . 18 1 1 A 123 123 ARG HA H 123 3.989 3.861 0.128 1
1 1457 . 18 1 1 A 123 123 ARG CB C 123 28.219 26.618 1.601 1
1 1466 . 18 1 1 A 123 123 ARG C C 123 176.088 174.444 1.644 1
1 1467 . 18 1 1 A 124 124 LEU N N 124 118.876 118.512 0.364 1
1 1468 . 18 1 1 A 124 124 LEU H H 124 8.401 7.591 0.810 1
1 1469 . 18 1 1 A 124 124 LEU CA C 124 54.573 53.408 1.165 1
1 1470 . 18 1 1 A 124 124 LEU HA H 124 4.533 4.951 -0.418 1
1 1471 . 18 1 1 A 124 124 LEU CB C 124 39.785 44.984 -5.199 1
1 1484 . 18 1 1 A 124 124 LEU C C 124 175.551 175.541 0.010 1
1 1485 . 18 1 1 A 125 125 GLN N N 125 116.713 120.312 -3.599 1
1 1486 . 18 1 1 A 125 125 GLN H H 125 7.779 8.840 -1.061 1
1 1487 . 18 1 1 A 125 125 GLN CA C 125 54.609 54.706 -0.097 1
1 1488 . 18 1 1 A 125 125 GLN HA H 125 4.794 4.946 -0.152 1
1 1489 . 18 1 1 A 125 125 GLN CB C 125 30.327 30.702 -0.375 1
1 1498 . 18 1 1 A 125 125 GLN C C 125 177.722 176.466 1.256 1
1 1499 . 18 1 1 A 126 126 TRP N N 126 128.887 126.984 1.903 1
1 1500 . 18 1 1 A 126 126 TRP H H 126 9.755 9.133 0.622 1
1 1501 . 18 1 1 A 126 126 TRP CA C 126 59.962 61.220 -1.258 1
1 1502 . 18 1 1 A 126 126 TRP HA H 126 4.545 4.269 0.276 1
1 1503 . 18 1 1 A 126 126 TRP CB C 126 30.009 30.353 -0.344 1
1 1518 . 18 1 1 A 126 126 TRP C C 126 177.057 178.153 -1.096 1
1 1519 . 18 1 1 A 127 127 GLU N N 127 119.568 118.268 1.300 1
1 1520 . 18 1 1 A 127 127 GLU H H 127 9.946 8.512 1.434 1
1 1521 . 18 1 1 A 127 127 GLU CA C 127 60.623 59.815 0.808 1
1 1522 . 18 1 1 A 127 127 GLU HA H 127 3.780 3.880 -0.100 1
1 1523 . 18 1 1 A 127 127 GLU CB C 127 28.594 29.328 -0.734 1
1 1529 . 18 1 1 A 127 127 GLU C C 127 177.905 179.094 -1.189 1
1 1530 . 18 1 1 A 128 128 ASN N N 128 115.229 118.513 -3.284 1
1 1531 . 18 1 1 A 128 128 ASN H H 128 7.159 8.025 -0.866 1
1 1532 . 18 1 1 A 128 128 ASN CA C 128 55.370 55.935 -0.565 1
1 1533 . 18 1 1 A 128 128 ASN HA H 128 4.446 4.346 0.100 1
1 1534 . 18 1 1 A 128 128 ASN CB C 128 38.522 38.095 0.427 1
1 1540 . 18 1 1 A 128 128 ASN C C 128 177.374 177.855 -0.481 1
1 1541 . 18 1 1 A 129 129 VAL N N 129 122.487 119.643 2.844 1
1 1542 . 18 1 1 A 129 129 VAL H H 129 8.033 7.552 0.481 1
1 1543 . 18 1 1 A 129 129 VAL CA C 129 67.289 66.859 0.430 1
1 1544 . 18 1 1 A 129 129 VAL HA H 129 3.489 3.509 -0.020 1
1 1545 . 18 1 1 A 129 129 VAL CB C 129 31.824 31.478 0.346 1
1 1555 . 18 1 1 A 129 129 VAL C C 129 177.209 177.689 -0.480 1
1 1556 . 18 1 1 A 130 130 SER N N 130 115.189 113.491 1.698 1
1 1557 . 18 1 1 A 130 130 SER H H 130 8.550 7.988 0.562 1
1 1558 . 18 1 1 A 130 130 SER CA C 130 61.477 60.616 0.861 1
1 1559 . 18 1 1 A 130 130 SER HA H 130 3.151 3.604 -0.453 1
1 1560 . 18 1 1 A 130 130 SER CB C 130 61.348 61.741 -0.393 1
1 1563 . 18 1 1 A 130 130 SER C C 130 175.971 176.520 -0.549 1
1 1564 . 18 1 1 A 131 131 ALA N N 131 123.596 123.634 -0.038 1
1 1565 . 18 1 1 A 131 131 ALA H H 131 6.551 7.578 -1.027 1
1 1566 . 18 1 1 A 131 131 ALA CA C 131 54.947 55.044 -0.097 1
1 1567 . 18 1 1 A 131 131 ALA HA H 131 4.079 3.915 0.164 1
1 1568 . 18 1 1 A 131 131 ALA CB C 131 18.023 17.992 0.031 1
1 1572 . 18 1 1 A 131 131 ALA C C 131 179.947 180.016 -0.069 1
1 1573 . 18 1 1 A 132 132 MET N N 132 119.410 116.691 2.719 1
1 1574 . 18 1 1 A 132 132 MET H H 132 7.442 8.041 -0.599 1
1 1575 . 18 1 1 A 132 132 MET CA C 132 58.917 58.542 0.375 1
1 1576 . 18 1 1 A 132 132 MET HA H 132 4.118 4.302 -0.184 1
1 1577 . 18 1 1 A 132 132 MET CB C 132 33.984 32.803 1.181 1
1 1587 . 18 1 1 A 132 132 MET C C 132 178.019 178.558 -0.539 1
1 1588 . 18 1 1 A 133 133 ILE N N 133 120.265 119.415 0.850 1
1 1589 . 18 1 1 A 133 133 ILE H H 133 8.554 8.052 0.502 1
1 1590 . 18 1 1 A 133 133 ILE CA C 133 66.859 65.346 1.513 1
1 1591 . 18 1 1 A 133 133 ILE HA H 133 3.470 3.846 -0.376 1
1 1592 . 18 1 1 A 133 133 ILE CB C 133 38.240 37.145 1.095 1
1 1605 . 18 1 1 A 133 133 ILE C C 133 177.949 179.012 -1.063 1
1 1606 . 18 1 1 A 134 134 GLU N N 134 117.011 121.882 -4.871 1
1 1607 . 18 1 1 A 134 134 GLU H H 134 8.106 7.939 0.167 1
1 1608 . 18 1 1 A 134 134 GLU CA C 134 59.844 59.648 0.196 1
1 1609 . 18 1 1 A 134 134 GLU HA H 134 3.919 4.109 -0.190 1
1 1610 . 18 1 1 A 134 134 GLU CB C 134 29.024 29.776 -0.752 1
1 1616 . 18 1 1 A 134 134 GLU C C 134 178.982 179.129 -0.147 1
1 1617 . 18 1 1 A 135 135 GLU N N 135 118.619 118.663 -0.044 1
1 1618 . 18 1 1 A 135 135 GLU H H 135 7.848 8.108 -0.260 1
1 1619 . 18 1 1 A 135 135 GLU CA C 135 59.438 59.303 0.135 1
1 1620 . 18 1 1 A 135 135 GLU HA H 135 4.090 4.090 0.000 1
1 1621 . 18 1 1 A 135 135 GLU CB C 135 29.948 28.722 1.226 1
1 1627 . 18 1 1 A 135 135 GLU C C 135 179.547 178.859 0.688 1
1 1628 . 18 1 1 A 136 136 VAL N N 136 119.915 121.340 -1.425 1
1 1629 . 18 1 1 A 136 136 VAL H H 136 8.793 8.002 0.791 1
1 1630 . 18 1 1 A 136 136 VAL CA C 136 66.122 66.267 -0.145 1
1 1631 . 18 1 1 A 136 136 VAL HA H 136 3.578 3.597 -0.019 1
1 1632 . 18 1 1 A 136 136 VAL CB C 136 31.990 31.942 0.048 1
1 1642 . 18 1 1 A 136 136 VAL C C 136 177.646 177.237 0.409 1
1 1643 . 18 1 1 A 137 137 PHE N N 137 111.913 117.241 -5.328 1
1 1644 . 18 1 1 A 137 137 PHE H H 137 8.009 7.801 0.208 1
1 1645 . 18 1 1 A 137 137 PHE CA C 137 59.545 59.060 0.485 1
1 1646 . 18 1 1 A 137 137 PHE HA H 137 4.197 4.483 -0.286 1
1 1647 . 18 1 1 A 137 137 PHE CB C 137 38.105 38.755 -0.650 1
1 1660 . 18 1 1 A 138 138 GLU N N 138 123.997 119.251 4.746 1
1 1661 . 18 1 1 A 138 138 GLU H H 138 7.268 8.406 -1.138 1
1 1662 . 18 1 1 A 138 138 GLU CA C 138 59.222 58.870 0.352 1
1 1663 . 18 1 1 A 138 138 GLU HA H 138 4.161 4.116 0.045 1
1 1664 . 18 1 1 A 138 138 GLU CB C 138 29.644 28.989 0.655 1
1 1670 . 18 1 1 A 139 139 ALA N N 139 121.713 121.111 0.602 1
1 1671 . 18 1 1 A 139 139 ALA H H 139 8.830 7.888 0.942 1
1 1672 . 18 1 1 A 139 139 ALA CA C 139 52.894 50.936 1.958 1
1 1673 . 18 1 1 A 139 139 ALA HA H 139 4.334 4.467 -0.133 1
1 1674 . 18 1 1 A 139 139 ALA CB C 139 17.362 19.132 -1.770 1
1 1678 . 18 1 1 A 139 139 ALA C C 139 176.943 176.360 0.583 1
1 1679 . 18 1 1 A 140 140 THR N N 140 107.901 108.831 -0.930 1
1 1680 . 18 1 1 A 140 140 THR H H 140 7.809 7.697 0.112 1
1 1681 . 18 1 1 A 140 140 THR CA C 140 61.013 59.871 1.142 1
1 1682 . 18 1 1 A 140 140 THR HA H 140 4.164 4.931 -0.767 1
1 1683 . 18 1 1 A 140 140 THR CB C 140 72.698 72.355 0.343 1
1 1689 . 18 1 1 A 140 140 THR C C 140 174.222 173.626 0.596 1
1 1690 . 18 1 1 A 141 141 ASP N N 141 120.212 119.309 0.903 1
1 1691 . 18 1 1 A 141 141 ASP H H 141 8.959 8.564 0.395 1
1 1692 . 18 1 1 A 141 141 ASP CA C 141 53.333 53.937 -0.604 1
1 1693 . 18 1 1 A 141 141 ASP HA H 141 4.991 4.944 0.047 1
1 1694 . 18 1 1 A 141 141 ASP CB C 141 40.660 41.636 -0.976 1
1 1697 . 18 1 1 A 141 141 ASP C C 141 175.403 174.243 1.160 1
1 1698 . 18 1 1 A 142 142 ILE N N 142 120.815 121.543 -0.728 1
1 1699 . 18 1 1 A 142 142 ILE H H 142 7.444 7.695 -0.251 1
1 1700 . 18 1 1 A 142 142 ILE CA C 142 62.338 59.436 2.902 1
1 1701 . 18 1 1 A 142 142 ILE HA H 142 4.131 4.715 -0.584 1
1 1702 . 18 1 1 A 142 142 ILE CB C 142 38.703 40.737 -2.034 1
1 1715 . 18 1 1 A 142 142 ILE C C 142 175.399 175.649 -0.250 1
1 1716 . 18 1 1 A 143 143 LYS N N 143 129.106 124.101 5.005 1
1 1717 . 18 1 1 A 143 143 LYS H H 143 8.588 9.440 -0.852 1
1 1718 . 18 1 1 A 143 143 LYS CA C 143 55.725 54.714 1.011 1
1 1719 . 18 1 1 A 143 143 LYS HA H 143 4.444 5.019 -0.575 1
1 1720 . 18 1 1 A 143 143 LYS CB C 143 33.768 35.505 -1.737 1
1 1732 . 18 1 1 A 143 143 LYS C C 143 174.820 175.219 -0.399 1
1 1733 . 18 1 1 A 144 144 ILE N N 144 122.496 123.987 -1.491 1
1 1734 . 18 1 1 A 144 144 ILE H H 144 7.884 8.921 -1.037 1
1 1735 . 18 1 1 A 144 144 ILE CA C 144 59.861 59.658 0.203 1
1 1736 . 18 1 1 A 144 144 ILE HA H 144 4.937 5.312 -0.375 1
1 1737 . 18 1 1 A 144 144 ILE CB C 144 40.518 40.644 -0.126 1
1 1750 . 18 1 1 A 144 144 ILE C C 144 175.232 174.847 0.385 1
1 1751 . 18 1 1 A 145 145 THR N N 145 126.667 123.142 3.525 1
1 1752 . 18 1 1 A 145 145 THR H H 145 9.100 8.733 0.367 1
1 1753 . 18 1 1 A 145 145 THR CA C 145 61.374 61.739 -0.365 1
1 1754 . 18 1 1 A 145 145 THR HA H 145 4.992 5.043 -0.051 1
1 1755 . 18 1 1 A 145 145 THR CB C 145 68.907 71.459 -2.552 1
1 1761 . 18 1 1 A 145 145 THR C C 145 173.158 173.414 -0.256 1
1 1762 . 18 1 1 A 146 146 VAL N N 146 127.717 126.963 0.754 1
1 1763 . 18 1 1 A 146 146 VAL H H 146 8.818 9.268 -0.450 1
1 1764 . 18 1 1 A 146 146 VAL CA C 146 59.930 61.334 -1.404 1
1 1765 . 18 1 1 A 146 146 VAL HA H 146 5.053 4.962 0.091 1
1 1766 . 18 1 1 A 146 146 VAL CB C 146 32.906 32.906 0.000 1
1 1776 . 18 1 1 A 146 146 VAL C C 146 175.653 175.099 0.554 1
1 1777 . 18 1 1 A 147 147 TYR N N 147 129.304 127.258 2.046 1
1 1778 . 18 1 1 A 147 147 TYR H H 147 8.926 9.184 -0.258 1
1 1779 . 18 1 1 A 147 147 TYR CA C 147 57.290 56.990 0.300 1
1 1780 . 18 1 1 A 147 147 TYR HA H 147 5.283 5.243 0.040 1
1 1781 . 18 1 1 A 147 147 TYR CB C 147 40.422 39.868 0.554 1
1 1792 . 18 1 1 A 147 147 TYR C C 147 177.250 175.346 1.904 1
1 1793 . 18 1 1 A 148 148 THR N N 148 116.883 114.202 2.681 1
1 1794 . 18 1 1 A 148 148 THR H H 148 8.607 9.103 -0.496 1
1 1795 . 18 1 1 A 148 148 THR CA C 148 61.560 60.589 0.971 1
1 1796 . 18 1 1 A 148 148 THR HA H 148 4.431 5.071 -0.640 1
1 1797 . 18 1 1 A 148 148 THR CB C 148 70.966 71.105 -0.139 1
1 1803 . 18 1 1 A 148 148 THR C C 148 172.797 173.889 -1.092 1
1 1 . 19 1 1 A 5 5 SER CA C 5 58.376 59.744 -1.368 1
1 2 . 19 1 1 A 5 5 SER HA H 5 4.528 4.320 0.208 1
1 3 . 19 1 1 A 5 5 SER CB C 5 63.813 63.518 0.295 1
1 5 . 19 1 1 A 5 5 SER C C 5 174.968 173.727 1.241 1
1 6 . 19 1 1 A 6 6 SER N N 6 117.996 121.660 -3.664 1
1 7 . 19 1 1 A 6 6 SER H H 6 8.503 8.806 -0.303 1
1 8 . 19 1 1 A 6 6 SER CA C 6 58.642 57.574 1.068 1
1 9 . 19 1 1 A 6 6 SER HA H 6 4.526 5.012 -0.486 1
1 10 . 19 1 1 A 6 6 SER CB C 6 63.855 64.426 -0.571 1
1 13 . 19 1 1 A 6 6 SER C C 6 175.129 174.080 1.049 1
1 14 . 19 1 1 A 7 7 GLY N N 7 110.904 112.470 -1.566 1
1 15 . 19 1 1 A 7 7 GLY H H 7 8.470 8.348 0.122 1
1 16 . 19 1 1 A 7 7 GLY CA C 7 45.430 45.083 0.347 1
1 17 . 19 1 1 A 7 7 GLY HA2 H 7 4.030 4.187 -0.157 1
1 18 . 19 1 1 A 7 7 GLY HA3 H 7 4.030 4.201 -0.171 1
1 19 . 19 1 1 A 7 7 GLY C C 7 174.606 174.930 -0.324 1
1 20 . 19 1 1 A 8 8 GLY N N 8 108.942 108.969 -0.027 1
1 21 . 19 1 1 A 8 8 GLY H H 8 8.286 8.882 -0.596 1
1 22 . 19 1 1 A 8 8 GLY CA C 8 45.058 47.395 -2.337 1
1 23 . 19 1 1 A 8 8 GLY HA2 H 8 4.027 3.821 0.206 1
1 24 . 19 1 1 A 8 8 GLY HA3 H 8 4.199 3.822 0.377 1
1 25 . 19 1 1 A 8 8 GLY C C 8 173.943 174.680 -0.737 1
1 26 . 19 1 1 A 9 9 SER N N 9 115.435 115.166 0.269 1
1 27 . 19 1 1 A 9 9 SER H H 9 8.275 8.078 0.197 1
1 28 . 19 1 1 A 9 9 SER CA C 9 57.847 59.031 -1.184 1
1 29 . 19 1 1 A 9 9 SER HA H 9 4.616 4.563 0.053 1
1 30 . 19 1 1 A 9 9 SER CB C 9 64.102 63.563 0.539 1
1 33 . 19 1 1 A 9 9 SER C C 9 174.962 175.166 -0.204 1
1 34 . 19 1 1 A 10 10 ARG N N 10 126.156 126.988 -0.832 1
1 35 . 19 1 1 A 10 10 ARG H H 10 9.427 8.894 0.533 1
1 36 . 19 1 1 A 10 10 ARG CA C 10 56.662 59.725 -3.063 1
1 37 . 19 1 1 A 10 10 ARG HA H 10 4.332 3.865 0.467 1
1 38 . 19 1 1 A 10 10 ARG CB C 10 30.289 30.084 0.205 1
1 49 . 19 1 1 A 10 10 ARG C C 10 175.504 176.530 -1.026 1
1 50 . 19 1 1 A 11 11 ILE N N 11 119.127 120.176 -1.049 1
1 51 . 19 1 1 A 11 11 ILE H H 11 8.176 7.702 0.474 1
1 52 . 19 1 1 A 11 11 ILE CA C 11 61.153 62.139 -0.986 1
1 53 . 19 1 1 A 11 11 ILE HA H 11 4.553 3.922 0.631 1
1 54 . 19 1 1 A 11 11 ILE CB C 11 39.949 37.549 2.400 1
1 67 . 19 1 1 A 11 11 ILE C C 11 176.134 175.520 0.614 1
1 68 . 19 1 1 A 12 12 THR N N 12 124.682 123.169 1.513 1
1 69 . 19 1 1 A 12 12 THR H H 12 8.534 8.809 -0.275 1
1 70 . 19 1 1 A 12 12 THR CA C 12 61.630 60.977 0.653 1
1 71 . 19 1 1 A 12 12 THR HA H 12 4.359 4.494 -0.135 1
1 72 . 19 1 1 A 12 12 THR CB C 12 70.705 71.436 -0.731 1
1 78 . 19 1 1 A 12 12 THR C C 12 171.804 172.804 -1.000 1
1 79 . 19 1 1 A 13 13 TYR N N 13 124.043 125.630 -1.587 1
1 80 . 19 1 1 A 13 13 TYR H H 13 8.691 8.429 0.262 1
1 81 . 19 1 1 A 13 13 TYR CA C 13 57.846 57.426 0.420 1
1 82 . 19 1 1 A 13 13 TYR HA H 13 5.099 5.355 -0.256 1
1 83 . 19 1 1 A 13 13 TYR CB C 13 39.895 39.608 0.287 1
1 94 . 19 1 1 A 13 13 TYR C C 13 175.924 175.786 0.138 1
1 95 . 19 1 1 A 14 14 VAL N N 14 124.012 122.888 1.124 1
1 96 . 19 1 1 A 14 14 VAL H H 14 8.633 9.130 -0.497 1
1 97 . 19 1 1 A 14 14 VAL CA C 14 60.958 60.208 0.750 1
1 98 . 19 1 1 A 14 14 VAL HA H 14 4.015 4.681 -0.666 1
1 99 . 19 1 1 A 14 14 VAL CB C 14 35.416 34.624 0.792 1
1 109 . 19 1 1 A 14 14 VAL C C 14 173.974 173.626 0.348 1
1 110 . 19 1 1 A 15 15 LYS N N 15 127.960 126.196 1.764 1
1 111 . 19 1 1 A 15 15 LYS H H 15 8.318 8.719 -0.401 1
1 112 . 19 1 1 A 15 15 LYS CA C 15 54.152 54.933 -0.781 1
1 113 . 19 1 1 A 15 15 LYS HA H 15 5.126 5.039 0.087 1
1 114 . 19 1 1 A 15 15 LYS CB C 15 32.086 34.410 -2.324 1
1 126 . 19 1 1 A 15 15 LYS C C 15 176.050 175.127 0.923 1
1 127 . 19 1 1 A 16 16 GLY N N 16 114.545 112.392 2.153 1
1 128 . 19 1 1 A 16 16 GLY H H 16 8.508 8.297 0.211 1
1 129 . 19 1 1 A 16 16 GLY CA C 16 45.006 43.773 1.233 1
1 130 . 19 1 1 A 16 16 GLY HA2 H 16 4.028 4.111 -0.083 1
1 131 . 19 1 1 A 16 16 GLY HA3 H 16 4.197 4.139 0.058 1
1 132 . 19 1 1 A 16 16 GLY C C 16 170.957 173.335 -2.378 1
1 133 . 19 1 1 A 17 17 ASP N N 17 119.423 121.559 -2.136 1
1 134 . 19 1 1 A 17 17 ASP H H 17 8.271 8.589 -0.318 1
1 135 . 19 1 1 A 17 17 ASP CA C 17 53.164 55.291 -2.127 1
1 136 . 19 1 1 A 17 17 ASP HA H 17 4.407 4.280 0.127 1
1 137 . 19 1 1 A 17 17 ASP CB C 17 41.912 41.732 0.180 1
1 140 . 19 1 1 A 17 17 ASP C C 17 176.089 175.946 0.143 1
1 141 . 19 1 1 A 18 18 LEU N N 18 130.056 125.518 4.538 1
1 142 . 19 1 1 A 18 18 LEU H H 18 8.304 8.535 -0.231 1
1 143 . 19 1 1 A 18 18 LEU CA C 18 57.156 56.281 0.875 1
1 144 . 19 1 1 A 18 18 LEU HA H 18 2.425 3.860 -1.435 1
1 145 . 19 1 1 A 18 18 LEU CB C 18 42.959 43.565 -0.606 1
1 158 . 19 1 1 A 18 18 LEU C C 18 175.737 177.872 -2.135 1
1 159 . 19 1 1 A 19 19 PHE N N 19 109.678 117.307 -7.629 1
1 160 . 19 1 1 A 19 19 PHE H H 19 7.461 7.292 0.169 1
1 161 . 19 1 1 A 19 19 PHE CA C 19 59.844 60.532 -0.688 1
1 162 . 19 1 1 A 19 19 PHE HA H 19 3.920 4.271 -0.351 1
1 163 . 19 1 1 A 19 19 PHE CB C 19 36.735 39.501 -2.766 1
1 176 . 19 1 1 A 19 19 PHE C C 19 175.833 178.190 -2.357 1
1 177 . 19 1 1 A 20 20 ALA N N 20 123.506 122.097 1.409 1
1 178 . 19 1 1 A 20 20 ALA H H 20 7.752 8.293 -0.541 1
1 179 . 19 1 1 A 20 20 ALA CA C 20 51.160 54.994 -3.834 1
1 180 . 19 1 1 A 20 20 ALA HA H 20 4.518 4.065 0.453 1
1 181 . 19 1 1 A 20 20 ALA CB C 20 18.395 18.072 0.323 1
1 185 . 19 1 1 A 20 20 ALA C C 20 176.772 179.919 -3.147 1
1 186 . 19 1 1 A 21 21 CYS N N 21 118.823 116.921 1.902 1
1 187 . 19 1 1 A 21 21 CYS H H 21 7.225 8.051 -0.826 1
1 188 . 19 1 1 A 21 21 CYS CA C 21 56.813 63.557 -6.744 1
1 189 . 19 1 1 A 21 21 CYS HA H 21 4.580 4.159 0.421 1
1 190 . 19 1 1 A 21 21 CYS CB C 21 25.916 26.781 -0.865 1
1 193 . 19 1 1 A 21 21 CYS C C 21 170.919 175.306 -4.387 1
1 194 . 19 1 1 A 22 22 PRO CA C 22 64.000 62.797 1.203 1
1 195 . 19 1 1 A 22 22 PRO HA H 22 4.373 4.464 -0.091 1
1 196 . 19 1 1 A 22 22 PRO CB C 22 31.802 32.456 -0.654 1
1 205 . 19 1 1 A 22 22 PRO C C 22 178.609 176.368 2.241 1
1 206 . 19 1 1 A 23 23 LYS N N 23 122.870 122.108 0.762 1
1 207 . 19 1 1 A 23 23 LYS H H 23 8.785 8.848 -0.063 1
1 208 . 19 1 1 A 23 23 LYS CA C 23 58.671 57.049 1.622 1
1 209 . 19 1 1 A 23 23 LYS HA H 23 4.103 4.462 -0.359 1
1 210 . 19 1 1 A 23 23 LYS CB C 23 32.078 34.326 -2.248 1
1 222 . 19 1 1 A 23 23 LYS C C 23 175.722 177.642 -1.920 1
1 223 . 19 1 1 A 24 24 THR N N 24 102.744 105.810 -3.066 1
1 224 . 19 1 1 A 24 24 THR H H 24 7.097 7.554 -0.457 1
1 225 . 19 1 1 A 24 24 THR CA C 24 61.064 61.653 -0.589 1
1 226 . 19 1 1 A 24 24 THR HA H 24 4.166 4.551 -0.385 1
1 227 . 19 1 1 A 24 24 THR CB C 24 68.805 70.615 -1.810 1
1 233 . 19 1 1 A 24 24 THR C C 24 176.216 174.592 1.624 1
1 234 . 19 1 1 A 25 25 ASP N N 25 125.303 124.364 0.939 1
1 235 . 19 1 1 A 25 25 ASP H H 25 7.768 7.710 0.058 1
1 236 . 19 1 1 A 25 25 ASP CA C 25 55.246 55.004 0.242 1
1 237 . 19 1 1 A 25 25 ASP HA H 25 4.536 4.514 0.022 1
1 238 . 19 1 1 A 25 25 ASP CB C 25 40.321 41.152 -0.831 1
1 241 . 19 1 1 A 25 25 ASP C C 25 177.718 175.576 2.142 1
1 242 . 19 1 1 A 26 26 SER N N 26 118.303 118.919 -0.616 1
1 243 . 19 1 1 A 26 26 SER H H 26 8.472 8.592 -0.120 1
1 244 . 19 1 1 A 26 26 SER CA C 26 61.547 57.742 3.805 1
1 245 . 19 1 1 A 26 26 SER HA H 26 5.138 4.844 0.294 1
1 246 . 19 1 1 A 26 26 SER CB C 26 65.326 65.085 0.241 1
1 249 . 19 1 1 A 26 26 SER C C 26 172.446 173.477 -1.031 1
1 250 . 19 1 1 A 27 27 LEU N N 27 121.957 122.212 -0.255 1
1 251 . 19 1 1 A 27 27 LEU H H 27 8.553 8.514 0.039 1
1 252 . 19 1 1 A 27 27 LEU CA C 27 53.919 53.697 0.222 1
1 253 . 19 1 1 A 27 27 LEU HA H 27 6.004 5.579 0.425 1
1 254 . 19 1 1 A 27 27 LEU CB C 27 48.728 44.745 3.983 1
1 267 . 19 1 1 A 27 27 LEU C C 27 176.071 175.393 0.678 1
1 268 . 19 1 1 A 28 28 ALA N N 28 119.120 125.321 -6.201 1
1 269 . 19 1 1 A 28 28 ALA H H 28 8.083 8.936 -0.853 1
1 270 . 19 1 1 A 28 28 ALA CA C 28 50.738 50.862 -0.124 1
1 271 . 19 1 1 A 28 28 ALA HA H 28 5.833 5.390 0.443 1
1 272 . 19 1 1 A 28 28 ALA CB C 28 24.493 22.422 2.071 1
1 276 . 19 1 1 A 28 28 ALA C C 28 174.396 175.748 -1.352 1
1 277 . 19 1 1 A 29 29 HIS N N 29 111.296 122.235 -10.939 1
1 278 . 19 1 1 A 29 29 HIS H H 29 8.042 8.771 -0.729 1
1 279 . 19 1 1 A 29 29 HIS CA C 29 55.617 55.378 0.239 1
1 280 . 19 1 1 A 29 29 HIS HA H 29 4.552 5.006 -0.454 1
1 281 . 19 1 1 A 29 29 HIS CB C 29 31.644 32.493 -0.849 1
1 288 . 19 1 1 A 29 29 HIS C C 29 172.453 173.267 -0.814 1
1 289 . 19 1 1 A 30 30 CYS N N 30 115.842 120.306 -4.464 1
1 290 . 19 1 1 A 30 30 CYS H H 30 8.182 7.700 0.482 1
1 291 . 19 1 1 A 30 30 CYS CA C 30 57.610 56.976 0.634 1
1 292 . 19 1 1 A 30 30 CYS HA H 30 5.489 5.248 0.241 1
1 293 . 19 1 1 A 30 30 CYS CB C 30 30.518 29.126 1.392 1
1 296 . 19 1 1 A 30 30 CYS C C 30 175.085 173.977 1.108 1
1 297 . 19 1 1 A 31 31 ILE N N 31 117.447 121.648 -4.201 1
1 298 . 19 1 1 A 31 31 ILE H H 31 9.209 9.220 -0.011 1
1 299 . 19 1 1 A 31 31 ILE CA C 31 60.057 58.628 1.429 1
1 300 . 19 1 1 A 31 31 ILE HA H 31 4.816 5.068 -0.252 1
1 301 . 19 1 1 A 31 31 ILE CB C 31 43.206 42.597 0.609 1
1 314 . 19 1 1 A 31 31 ILE C C 31 173.249 174.846 -1.597 1
1 315 . 19 1 1 A 32 32 SER N N 32 111.596 116.096 -4.500 1
1 316 . 19 1 1 A 32 32 SER H H 32 7.858 8.264 -0.406 1
1 317 . 19 1 1 A 32 32 SER CA C 32 55.599 55.887 -0.288 1
1 318 . 19 1 1 A 32 32 SER HA H 32 5.139 5.275 -0.136 1
1 319 . 19 1 1 A 32 32 SER CB C 32 66.377 66.656 -0.279 1
1 322 . 19 1 1 A 32 32 SER C C 32 176.120 176.080 0.040 1
1 323 . 19 1 1 A 33 33 GLU N N 33 118.525 120.877 -2.352 1
1 324 . 19 1 1 A 33 33 GLU H H 33 8.189 8.985 -0.796 1
1 325 . 19 1 1 A 33 33 GLU CA C 33 59.273 59.812 -0.539 1
1 326 . 19 1 1 A 33 33 GLU HA H 33 3.759 3.984 -0.225 1
1 327 . 19 1 1 A 33 33 GLU CB C 33 30.553 29.233 1.320 1
1 333 . 19 1 1 A 33 33 GLU C C 33 177.446 177.986 -0.540 1
1 334 . 19 1 1 A 34 34 ASP N N 34 113.498 119.112 -5.614 1
1 335 . 19 1 1 A 34 34 ASP H H 34 7.480 7.492 -0.012 1
1 336 . 19 1 1 A 34 34 ASP CA C 34 54.511 56.483 -1.972 1
1 337 . 19 1 1 A 34 34 ASP HA H 34 4.342 4.402 -0.060 1
1 338 . 19 1 1 A 34 34 ASP CB C 34 40.374 40.747 -0.373 1
1 341 . 19 1 1 A 34 34 ASP C C 34 175.854 175.887 -0.033 1
1 342 . 19 1 1 A 35 35 CYS N N 35 111.837 117.290 -5.453 1
1 343 . 19 1 1 A 35 35 CYS H H 35 8.327 8.228 0.099 1
1 344 . 19 1 1 A 35 35 CYS CA C 35 61.093 60.498 0.595 1
1 345 . 19 1 1 A 35 35 CYS HA H 35 3.772 4.158 -0.386 1
1 346 . 19 1 1 A 35 35 CYS CB C 35 25.679 25.865 -0.186 1
1 349 . 19 1 1 A 35 35 CYS C C 35 173.370 173.764 -0.394 1
1 350 . 19 1 1 A 36 36 ARG N N 36 117.440 119.704 -2.264 1
1 351 . 19 1 1 A 36 36 ARG H H 36 7.473 7.976 -0.503 1
1 352 . 19 1 1 A 36 36 ARG CA C 36 57.988 54.107 3.881 1
1 353 . 19 1 1 A 36 36 ARG HA H 36 3.981 4.489 -0.508 1
1 354 . 19 1 1 A 36 36 ARG CB C 36 30.430 29.418 1.012 1
1 363 . 19 1 1 A 36 36 ARG C C 36 177.233 174.979 2.254 1
1 364 . 19 1 1 A 37 37 MET CA C 37 56.118 56.604 -0.486 1
1 365 . 19 1 1 A 37 37 MET HA H 37 4.036 4.376 -0.340 1
1 373 . 19 1 1 A 38 38 GLY H H 38 8.192 8.493 -0.301 1
1 374 . 19 1 1 A 38 38 GLY CA C 38 45.670 45.785 -0.115 1
1 375 . 19 1 1 A 38 38 GLY HA2 H 38 4.220 4.167 0.053 1
1 376 . 19 1 1 A 38 38 GLY HA3 H 38 3.595 4.177 -0.582 1
1 377 . 19 1 1 A 38 38 GLY C C 38 173.799 173.378 0.421 1
1 378 . 19 1 1 A 39 39 ALA N N 39 122.002 120.890 1.112 1
1 379 . 19 1 1 A 39 39 ALA H H 39 7.697 7.846 -0.149 1
1 380 . 19 1 1 A 39 39 ALA CA C 39 51.019 51.814 -0.795 1
1 381 . 19 1 1 A 39 39 ALA HA H 39 4.678 4.664 0.014 1
1 382 . 19 1 1 A 39 39 ALA CB C 39 22.608 22.126 0.482 1
1 386 . 19 1 1 A 39 39 ALA C C 39 176.769 177.113 -0.344 1
1 387 . 19 1 1 A 40 40 GLY N N 40 107.149 113.525 -6.376 1
1 388 . 19 1 1 A 40 40 GLY H H 40 8.731 8.991 -0.260 1
1 389 . 19 1 1 A 40 40 GLY CA C 40 45.768 46.147 -0.379 1
1 390 . 19 1 1 A 40 40 GLY HA2 H 40 3.957 3.973 -0.016 1
1 391 . 19 1 1 A 40 40 GLY HA3 H 40 4.220 3.989 0.231 1
1 392 . 19 1 1 A 40 40 GLY C C 40 176.747 175.203 1.544 1
1 393 . 19 1 1 A 41 41 ILE CA C 41 63.397 63.342 0.055 1
1 394 . 19 1 1 A 41 41 ILE HA H 41 4.312 4.027 0.285 1
1 395 . 19 1 1 A 41 41 ILE CB C 41 38.794 37.651 1.143 1
1 408 . 19 1 1 A 41 41 ILE C C 41 177.249 178.071 -0.822 1
1 409 . 19 1 1 A 42 42 ALA N N 42 124.835 123.212 1.623 1
1 410 . 19 1 1 A 42 42 ALA H H 42 8.629 8.281 0.348 1
1 411 . 19 1 1 A 42 42 ALA CA C 42 55.599 54.836 0.763 1
1 412 . 19 1 1 A 42 42 ALA HA H 42 4.377 3.815 0.562 1
1 413 . 19 1 1 A 42 42 ALA CB C 42 18.155 18.351 -0.196 1
1 417 . 19 1 1 A 42 42 ALA C C 42 179.079 180.345 -1.266 1
1 418 . 19 1 1 A 43 43 VAL N N 43 116.015 118.767 -2.752 1
1 419 . 19 1 1 A 43 43 VAL H H 43 7.363 7.800 -0.437 1
1 420 . 19 1 1 A 43 43 VAL CA C 43 65.623 67.133 -1.510 1
1 421 . 19 1 1 A 43 43 VAL HA H 43 3.822 3.650 0.172 1
1 422 . 19 1 1 A 43 43 VAL CB C 43 32.408 31.655 0.753 1
1 432 . 19 1 1 A 43 43 VAL C C 43 178.285 178.168 0.117 1
1 433 . 19 1 1 A 44 44 LEU N N 44 119.736 119.820 -0.084 1
1 434 . 19 1 1 A 44 44 LEU H H 44 7.357 8.060 -0.703 1
1 435 . 19 1 1 A 44 44 LEU CA C 44 57.460 58.204 -0.744 1
1 436 . 19 1 1 A 44 44 LEU HA H 44 3.968 3.948 0.020 1
1 437 . 19 1 1 A 44 44 LEU CB C 44 41.234 41.703 -0.469 1
1 450 . 19 1 1 A 44 44 LEU C C 44 179.972 179.409 0.563 1
1 451 . 19 1 1 A 45 45 PHE N N 45 118.434 118.176 0.258 1
1 452 . 19 1 1 A 45 45 PHE H H 45 7.733 8.178 -0.445 1
1 453 . 19 1 1 A 45 45 PHE CA C 45 63.151 60.961 2.190 1
1 454 . 19 1 1 A 45 45 PHE HA H 45 4.009 4.194 -0.185 1
1 455 . 19 1 1 A 45 45 PHE CB C 45 39.883 38.989 0.894 1
1 468 . 19 1 1 A 45 45 PHE C C 45 180.448 178.693 1.755 1
1 469 . 19 1 1 A 46 46 LYS N N 46 124.749 118.328 6.421 1
1 470 . 19 1 1 A 46 46 LYS H H 46 8.819 8.130 0.689 1
1 471 . 19 1 1 A 46 46 LYS CA C 46 60.958 58.837 2.121 1
1 472 . 19 1 1 A 46 46 LYS HA H 46 4.160 4.195 -0.035 1
1 473 . 19 1 1 A 46 46 LYS CB C 46 31.930 31.701 0.229 1
1 485 . 19 1 1 A 46 46 LYS C C 46 179.139 178.303 0.836 1
1 486 . 19 1 1 A 47 47 LYS N N 47 119.317 118.840 0.477 1
1 487 . 19 1 1 A 47 47 LYS H H 47 8.154 7.522 0.632 1
1 488 . 19 1 1 A 47 47 LYS CA C 47 59.331 58.053 1.278 1
1 489 . 19 1 1 A 47 47 LYS HA H 47 3.939 4.250 -0.311 1
1 490 . 19 1 1 A 47 47 LYS CB C 47 33.065 33.185 -0.120 1
1 502 . 19 1 1 A 47 47 LYS C C 47 178.108 178.770 -0.662 1
1 503 . 19 1 1 A 48 48 LYS N N 48 116.005 120.432 -4.427 1
1 504 . 19 1 1 A 48 48 LYS H H 48 7.976 8.387 -0.411 1
1 505 . 19 1 1 A 48 48 LYS CA C 48 58.650 58.562 0.088 1
1 506 . 19 1 1 A 48 48 LYS HA H 48 3.684 3.749 -0.065 1
1 507 . 19 1 1 A 48 48 LYS CB C 48 32.372 31.540 0.832 1
1 519 . 19 1 1 A 48 48 LYS C C 48 178.213 177.655 0.558 1
1 520 . 19 1 1 A 49 49 PHE N N 49 112.629 113.724 -1.095 1
1 521 . 19 1 1 A 49 49 PHE H H 49 7.658 7.941 -0.283 1
1 522 . 19 1 1 A 49 49 PHE CA C 49 56.958 59.051 -2.093 1
1 523 . 19 1 1 A 49 49 PHE HA H 49 5.028 4.657 0.371 1
1 524 . 19 1 1 A 49 49 PHE CB C 49 40.496 40.681 -0.185 1
1 537 . 19 1 1 A 49 49 PHE C C 49 176.188 176.077 0.111 1
1 538 . 19 1 1 A 50 50 GLY N N 50 108.499 108.318 0.181 1
1 539 . 19 1 1 A 50 50 GLY H H 50 7.821 7.895 -0.074 1
1 540 . 19 1 1 A 50 50 GLY CA C 50 46.579 47.077 -0.498 1
1 541 . 19 1 1 A 50 50 GLY HA2 H 50 3.953 3.962 -0.009 1
1 542 . 19 1 1 A 50 50 GLY HA3 H 50 3.953 3.994 -0.041 1
1 543 . 19 1 1 A 50 50 GLY C C 50 174.288 175.698 -1.410 1
1 544 . 19 1 1 A 51 51 GLY N N 51 108.968 106.691 2.277 1
1 545 . 19 1 1 A 51 51 GLY H H 51 8.600 8.116 0.484 1
1 546 . 19 1 1 A 51 51 GLY CA C 51 46.597 45.609 0.988 1
1 547 . 19 1 1 A 51 51 GLY HA2 H 51 3.943 4.226 -0.283 1
1 548 . 19 1 1 A 51 51 GLY HA3 H 51 4.047 4.227 -0.180 1
1 549 . 19 1 1 A 51 51 GLY C C 51 174.522 175.424 -0.902 1
1 550 . 19 1 1 A 52 52 VAL N N 52 118.929 118.797 0.132 1
1 551 . 19 1 1 A 52 52 VAL H H 52 7.980 7.979 0.001 1
1 552 . 19 1 1 A 52 52 VAL CA C 52 68.080 65.584 2.496 1
1 553 . 19 1 1 A 52 52 VAL HA H 52 3.334 3.642 -0.308 1
1 554 . 19 1 1 A 52 52 VAL CB C 52 31.150 31.658 -0.508 1
1 564 . 19 1 1 A 52 52 VAL C C 52 177.566 177.476 0.090 1
1 565 . 19 1 1 A 53 53 GLN N N 53 116.880 121.773 -4.893 1
1 566 . 19 1 1 A 53 53 GLN H H 53 8.513 7.967 0.546 1
1 567 . 19 1 1 A 53 53 GLN CA C 53 58.730 59.041 -0.311 1
1 568 . 19 1 1 A 53 53 GLN HA H 53 3.946 3.943 0.003 1
1 569 . 19 1 1 A 53 53 GLN CB C 53 28.098 28.427 -0.329 1
1 578 . 19 1 1 A 53 53 GLN C C 53 177.916 178.171 -0.255 1
1 579 . 19 1 1 A 54 54 GLU N N 54 119.584 119.838 -0.254 1
1 580 . 19 1 1 A 54 54 GLU H H 54 7.525 8.097 -0.572 1
1 581 . 19 1 1 A 54 54 GLU CA C 54 59.754 58.830 0.924 1
1 582 . 19 1 1 A 54 54 GLU HA H 54 3.980 4.067 -0.087 1
1 583 . 19 1 1 A 54 54 GLU CB C 54 29.509 30.503 -0.994 1
1 589 . 19 1 1 A 54 54 GLU C C 54 180.168 179.761 0.407 1
1 590 . 19 1 1 A 55 55 LEU N N 55 121.130 120.547 0.583 1
1 591 . 19 1 1 A 55 55 LEU H H 55 8.437 8.198 0.239 1
1 592 . 19 1 1 A 55 55 LEU CA C 55 58.005 57.852 0.153 1
1 593 . 19 1 1 A 55 55 LEU HA H 55 3.870 3.898 -0.028 1
1 594 . 19 1 1 A 55 55 LEU CB C 55 42.588 41.399 1.189 1
1 607 . 19 1 1 A 55 55 LEU C C 55 180.835 179.099 1.736 1
1 608 . 19 1 1 A 56 56 LEU N N 56 123.508 118.277 5.231 1
1 609 . 19 1 1 A 56 56 LEU H H 56 8.664 8.499 0.165 1
1 610 . 19 1 1 A 56 56 LEU CA C 56 58.397 57.858 0.539 1
1 611 . 19 1 1 A 56 56 LEU HA H 56 3.972 3.840 0.132 1
1 612 . 19 1 1 A 56 56 LEU CB C 56 42.087 41.459 0.628 1
1 625 . 19 1 1 A 56 56 LEU C C 56 181.257 179.312 1.945 1
1 626 . 19 1 1 A 57 57 ASN N N 57 116.946 118.156 -1.210 1
1 627 . 19 1 1 A 57 57 ASN H H 57 8.334 7.962 0.372 1
1 628 . 19 1 1 A 57 57 ASN CA C 57 54.627 56.434 -1.807 1
1 629 . 19 1 1 A 57 57 ASN HA H 57 4.566 4.358 0.208 1
1 630 . 19 1 1 A 57 57 ASN CB C 57 38.170 38.169 0.001 1
1 636 . 19 1 1 A 57 57 ASN C C 57 176.756 178.251 -1.495 1
1 637 . 19 1 1 A 58 58 GLN N N 58 118.214 117.221 0.993 1
1 638 . 19 1 1 A 58 58 GLN H H 58 7.670 7.996 -0.326 1
1 639 . 19 1 1 A 58 58 GLN CA C 58 58.022 57.521 0.501 1
1 640 . 19 1 1 A 58 58 GLN HA H 58 4.184 4.198 -0.014 1
1 641 . 19 1 1 A 58 58 GLN CB C 58 28.460 28.897 -0.437 1
1 650 . 19 1 1 A 58 58 GLN C C 58 175.792 175.854 -0.062 1
1 651 . 19 1 1 A 59 59 GLN N N 59 114.113 116.050 -1.937 1
1 652 . 19 1 1 A 59 59 GLN H H 59 7.825 8.201 -0.376 1
1 653 . 19 1 1 A 59 59 GLN CA C 59 56.584 56.898 -0.314 1
1 654 . 19 1 1 A 59 59 GLN HA H 59 4.015 3.851 0.164 1
1 655 . 19 1 1 A 59 59 GLN CB C 59 26.829 26.657 0.172 1
1 664 . 19 1 1 A 59 59 GLN C C 59 175.049 175.150 -0.101 1
1 665 . 19 1 1 A 60 60 LYS N N 60 118.472 118.716 -0.244 1
1 666 . 19 1 1 A 60 60 LYS H H 60 9.134 7.977 1.157 1
1 667 . 19 1 1 A 60 60 LYS CA C 60 54.005 56.799 -2.794 1
1 668 . 19 1 1 A 60 60 LYS HA H 60 4.458 4.250 0.208 1
1 669 . 19 1 1 A 60 60 LYS CB C 60 32.573 34.109 -1.536 1
1 681 . 19 1 1 A 60 60 LYS C C 60 176.936 174.996 1.940 1
1 682 . 19 1 1 A 61 61 LYS N N 61 121.877 119.587 2.290 1
1 683 . 19 1 1 A 61 61 LYS H H 61 9.069 8.741 0.328 1
1 684 . 19 1 1 A 61 61 LYS CA C 61 53.421 54.254 -0.833 1
1 685 . 19 1 1 A 61 61 LYS HA H 61 4.517 4.784 -0.267 1
1 686 . 19 1 1 A 61 61 LYS CB C 61 35.816 36.794 -0.978 1
1 698 . 19 1 1 A 61 61 LYS C C 61 175.049 176.124 -1.075 1
1 699 . 19 1 1 A 62 62 SER N N 62 114.153 118.440 -4.287 1
1 700 . 19 1 1 A 62 62 SER H H 62 8.524 8.746 -0.222 1
1 701 . 19 1 1 A 62 62 SER CA C 62 60.959 60.413 0.546 1
1 702 . 19 1 1 A 62 62 SER HA H 62 3.954 4.395 -0.441 1
1 703 . 19 1 1 A 62 62 SER CB C 62 64.374 63.003 1.371 1
1 706 . 19 1 1 A 62 62 SER C C 62 175.660 175.541 0.119 1
1 707 . 19 1 1 A 63 63 GLY N N 63 111.615 113.126 -1.511 1
1 708 . 19 1 1 A 63 63 GLY H H 63 9.308 8.369 0.939 1
1 709 . 19 1 1 A 63 63 GLY CA C 63 44.971 45.224 -0.253 1
1 710 . 19 1 1 A 63 63 GLY HA2 H 63 4.188 3.986 0.202 1
1 711 . 19 1 1 A 63 63 GLY HA3 H 63 4.188 3.988 0.200 1
1 712 . 19 1 1 A 63 63 GLY C C 63 172.420 174.122 -1.702 1
1 713 . 19 1 1 A 64 64 GLU N N 64 117.287 120.049 -2.762 1
1 714 . 19 1 1 A 64 64 GLU H H 64 7.909 7.926 -0.017 1
1 715 . 19 1 1 A 64 64 GLU CA C 64 53.972 55.068 -1.096 1
1 716 . 19 1 1 A 64 64 GLU HA H 64 4.549 4.753 -0.204 1
1 717 . 19 1 1 A 64 64 GLU CB C 64 32.449 31.965 0.484 1
1 723 . 19 1 1 A 64 64 GLU C C 64 174.611 174.756 -0.145 1
1 724 . 19 1 1 A 65 65 VAL N N 65 118.093 121.143 -3.050 1
1 725 . 19 1 1 A 65 65 VAL H H 65 8.337 8.984 -0.647 1
1 726 . 19 1 1 A 65 65 VAL CA C 65 59.380 59.620 -0.240 1
1 727 . 19 1 1 A 65 65 VAL HA H 65 5.149 4.941 0.208 1
1 728 . 19 1 1 A 65 65 VAL CB C 65 35.892 35.669 0.223 1
1 738 . 19 1 1 A 65 65 VAL C C 65 172.013 174.249 -2.236 1
1 739 . 19 1 1 A 66 66 ALA N N 66 130.790 130.312 0.478 1
1 740 . 19 1 1 A 66 66 ALA H H 66 8.876 8.620 0.256 1
1 741 . 19 1 1 A 66 66 ALA CA C 66 50.170 51.252 -1.082 1
1 742 . 19 1 1 A 66 66 ALA HA H 66 4.879 4.953 -0.074 1
1 743 . 19 1 1 A 66 66 ALA CB C 66 21.291 20.656 0.635 1
1 747 . 19 1 1 A 66 66 ALA C C 66 175.997 176.684 -0.687 1
1 748 . 19 1 1 A 67 67 VAL N N 67 119.453 119.939 -0.486 1
1 749 . 19 1 1 A 67 67 VAL H H 67 8.615 8.517 0.098 1
1 750 . 19 1 1 A 67 67 VAL CA C 67 61.078 60.463 0.615 1
1 751 . 19 1 1 A 67 67 VAL HA H 67 5.255 5.147 0.108 1
1 752 . 19 1 1 A 67 67 VAL CB C 67 36.283 35.695 0.588 1
1 762 . 19 1 1 A 67 67 VAL C C 67 176.213 174.446 1.767 1
1 763 . 19 1 1 A 68 68 LEU N N 68 126.404 126.559 -0.155 1
1 764 . 19 1 1 A 68 68 LEU H H 68 9.013 8.208 0.805 1
1 765 . 19 1 1 A 68 68 LEU CA C 68 53.424 54.377 -0.953 1
1 766 . 19 1 1 A 68 68 LEU HA H 68 4.809 4.875 -0.066 1
1 767 . 19 1 1 A 68 68 LEU CB C 68 46.473 46.142 0.331 1
1 780 . 19 1 1 A 68 68 LEU C C 68 174.704 173.867 0.837 1
1 781 . 19 1 1 A 69 69 LYS N N 69 123.462 127.462 -4.000 1
1 782 . 19 1 1 A 69 69 LYS H H 69 8.756 8.833 -0.077 1
1 783 . 19 1 1 A 69 69 LYS CA C 69 55.228 55.556 -0.328 1
1 784 . 19 1 1 A 69 69 LYS HA H 69 4.791 5.033 -0.242 1
1 785 . 19 1 1 A 69 69 LYS CB C 69 33.820 32.663 1.157 1
1 797 . 19 1 1 A 69 69 LYS C C 69 177.387 175.909 1.478 1
1 798 . 19 1 1 A 70 70 ARG N N 70 127.852 128.439 -0.587 1
1 799 . 19 1 1 A 70 70 ARG H H 70 8.688 8.425 0.263 1
1 800 . 19 1 1 A 70 70 ARG CA C 70 52.929 57.365 -4.436 1
1 801 . 19 1 1 A 70 70 ARG CB C 70 34.028 31.843 2.185 1
1 809 . 19 1 1 A 70 70 ARG C C 70 175.460 175.906 -0.446 1
1 810 . 19 1 1 A 71 71 ASP CA C 71 55.193 52.966 2.227 1
1 811 . 19 1 1 A 71 71 ASP HA H 71 4.268 4.699 -0.431 1
1 812 . 19 1 1 A 71 71 ASP CB C 71 40.326 40.905 -0.579 1
1 815 . 19 1 1 A 71 71 ASP C C 71 175.970 175.998 -0.028 1
1 816 . 19 1 1 A 72 72 GLY N N 72 104.319 113.207 -8.888 1
1 817 . 19 1 1 A 72 72 GLY H H 72 8.642 8.357 0.285 1
1 818 . 19 1 1 A 72 72 GLY CA C 72 45.692 46.753 -1.061 1
1 819 . 19 1 1 A 72 72 GLY HA2 H 72 4.062 3.872 0.190 1
1 820 . 19 1 1 A 72 72 GLY HA3 H 72 3.516 3.884 -0.368 1
1 821 . 19 1 1 A 72 72 GLY C C 72 172.604 173.294 -0.690 1
1 822 . 19 1 1 A 73 73 ARG N N 73 118.257 115.957 2.300 1
1 823 . 19 1 1 A 73 73 ARG H H 73 7.794 7.466 0.328 1
1 824 . 19 1 1 A 73 73 ARG CA C 73 52.893 53.790 -0.897 1
1 825 . 19 1 1 A 73 73 ARG HA H 73 4.560 4.550 0.010 1
1 826 . 19 1 1 A 73 73 ARG CB C 73 31.831 33.062 -1.231 1
1 837 . 19 1 1 A 73 73 ARG C C 73 173.057 174.019 -0.962 1
1 838 . 19 1 1 A 74 74 TYR N N 74 117.830 119.378 -1.548 1
1 839 . 19 1 1 A 74 74 TYR H H 74 8.366 8.005 0.361 1
1 840 . 19 1 1 A 74 74 TYR CA C 74 57.987 56.548 1.439 1
1 841 . 19 1 1 A 74 74 TYR HA H 74 5.005 5.001 0.004 1
1 842 . 19 1 1 A 74 74 TYR CB C 74 40.473 38.288 2.185 1
1 853 . 19 1 1 A 74 74 TYR C C 74 173.530 174.810 -1.280 1
1 854 . 19 1 1 A 75 75 ILE N N 75 120.880 125.287 -4.407 1
1 855 . 19 1 1 A 75 75 ILE H H 75 8.923 8.496 0.427 1
1 856 . 19 1 1 A 75 75 ILE CA C 75 59.632 61.348 -1.716 1
1 857 . 19 1 1 A 75 75 ILE HA H 75 4.398 4.082 0.316 1
1 858 . 19 1 1 A 75 75 ILE CB C 75 37.608 37.613 -0.005 1
1 871 . 19 1 1 A 75 75 ILE C C 75 174.203 174.988 -0.785 1
1 872 . 19 1 1 A 76 76 TYR N N 76 125.586 128.374 -2.788 1
1 873 . 19 1 1 A 76 76 TYR H H 76 9.540 8.894 0.646 1
1 874 . 19 1 1 A 76 76 TYR CA C 76 59.137 56.895 2.242 1
1 875 . 19 1 1 A 76 76 TYR HA H 76 4.630 5.595 -0.965 1
1 876 . 19 1 1 A 76 76 TYR CB C 76 39.909 41.273 -1.364 1
1 887 . 19 1 1 A 76 76 TYR C C 76 174.280 174.877 -0.597 1
1 888 . 19 1 1 A 77 77 TYR N N 77 123.524 121.115 2.409 1
1 889 . 19 1 1 A 77 77 TYR H H 77 9.221 8.915 0.306 1
1 890 . 19 1 1 A 77 77 TYR CA C 77 55.476 56.453 -0.977 1
1 891 . 19 1 1 A 77 77 TYR HA H 77 4.155 5.176 -1.021 1
1 892 . 19 1 1 A 77 77 TYR CB C 77 35.926 39.790 -3.864 1
1 903 . 19 1 1 A 77 77 TYR C C 77 174.236 174.951 -0.715 1
1 904 . 19 1 1 A 78 78 LEU N N 78 123.875 126.102 -2.227 1
1 905 . 19 1 1 A 78 78 LEU H H 78 8.948 8.747 0.201 1
1 906 . 19 1 1 A 78 78 LEU CA C 78 55.635 55.742 -0.107 1
1 907 . 19 1 1 A 78 78 LEU HA H 78 4.134 4.420 -0.286 1
1 908 . 19 1 1 A 78 78 LEU CB C 78 40.856 41.962 -1.106 1
1 921 . 19 1 1 A 78 78 LEU C C 78 175.294 176.255 -0.961 1
1 922 . 19 1 1 A 79 79 ILE N N 79 127.986 125.284 2.702 1
1 923 . 19 1 1 A 79 79 ILE H H 79 8.322 8.426 -0.104 1
1 924 . 19 1 1 A 79 79 ILE CA C 79 59.349 60.213 -0.864 1
1 925 . 19 1 1 A 79 79 ILE HA H 79 4.372 4.782 -0.410 1
1 926 . 19 1 1 A 79 79 ILE CB C 79 34.277 39.272 -4.995 1
1 939 . 19 1 1 A 79 79 ILE C C 79 176.505 176.347 0.158 1
1 940 . 19 1 1 A 80 80 THR N N 80 113.978 117.723 -3.745 1
1 941 . 19 1 1 A 80 80 THR H H 80 8.276 8.248 0.028 1
1 942 . 19 1 1 A 80 80 THR CA C 80 61.646 61.937 -0.291 1
1 943 . 19 1 1 A 80 80 THR HA H 80 4.334 4.625 -0.291 1
1 944 . 19 1 1 A 80 80 THR CB C 80 69.165 70.478 -1.313 1
1 950 . 19 1 1 A 80 80 THR C C 80 172.999 173.964 -0.965 1
1 951 . 19 1 1 A 81 81 LYS N N 81 114.856 119.545 -4.689 1
1 952 . 19 1 1 A 81 81 LYS H H 81 7.512 7.490 0.022 1
1 953 . 19 1 1 A 81 81 LYS CA C 81 54.894 54.724 0.170 1
1 954 . 19 1 1 A 81 81 LYS HA H 81 4.649 4.852 -0.203 1
1 955 . 19 1 1 A 81 81 LYS CB C 81 34.139 34.894 -0.755 1
1 964 . 19 1 1 A 81 81 LYS C C 81 175.344 176.263 -0.919 1
1 965 . 19 1 1 A 82 82 LYS N N 82 121.209 120.548 0.661 1
1 966 . 19 1 1 A 82 82 LYS H H 82 9.577 9.039 0.538 1
1 967 . 19 1 1 A 82 82 LYS CA C 82 60.198 57.795 2.403 1
1 968 . 19 1 1 A 82 82 LYS HA H 82 3.884 4.291 -0.407 1
1 969 . 19 1 1 A 82 82 LYS CB C 82 33.603 33.751 -0.148 1
1 981 . 19 1 1 A 82 82 LYS C C 82 176.049 175.960 0.089 1
1 982 . 19 1 1 A 83 83 ARG N N 83 112.456 117.133 -4.677 1
1 983 . 19 1 1 A 83 83 ARG H H 83 6.717 7.984 -1.267 1
1 984 . 19 1 1 A 83 83 ARG CA C 83 52.451 54.363 -1.912 1
1 985 . 19 1 1 A 83 83 ARG HA H 83 4.691 4.923 -0.232 1
1 986 . 19 1 1 A 83 83 ARG CB C 83 32.857 33.767 -0.910 1
1 995 . 19 1 1 A 83 83 ARG C C 83 177.299 176.423 0.876 1
1 996 . 19 1 1 A 84 84 ALA N N 84 124.857 125.432 -0.575 1
1 997 . 19 1 1 A 84 84 ALA H H 84 9.290 8.974 0.316 1
1 998 . 19 1 1 A 84 84 ALA CA C 84 56.005 55.606 0.399 1
1 999 . 19 1 1 A 84 84 ALA HA H 84 3.895 3.954 -0.059 1
1 1000 . 19 1 1 A 84 84 ALA CB C 84 19.175 18.259 0.916 1
1 1004 . 19 1 1 A 84 84 ALA C C 84 178.350 179.577 -1.227 1
1 1005 . 19 1 1 A 85 85 SER CA C 85 58.631 62.240 -3.609 1
1 1006 . 19 1 1 A 85 85 SER HA H 85 4.338 4.097 0.241 1
1 1007 . 19 1 1 A 85 85 SER CB C 85 63.277 63.059 0.218 1
1 1010 . 19 1 1 A 85 85 SER C C 85 175.469 175.116 0.353 1
1 1011 . 19 1 1 A 86 86 HIS N N 86 121.978 117.718 4.260 1
1 1012 . 19 1 1 A 86 86 HIS H H 86 7.560 8.078 -0.518 1
1 1013 . 19 1 1 A 86 86 HIS CA C 86 54.468 55.581 -1.113 1
1 1014 . 19 1 1 A 86 86 HIS HA H 86 4.766 4.728 0.038 1
1 1015 . 19 1 1 A 86 86 HIS CB C 86 33.069 30.298 2.771 1
1 1022 . 19 1 1 A 86 86 HIS C C 86 174.466 174.616 -0.150 1
1 1023 . 19 1 1 A 87 87 LYS N N 87 122.014 124.666 -2.652 1
1 1024 . 19 1 1 A 87 87 LYS H H 87 8.693 8.653 0.040 1
1 1025 . 19 1 1 A 87 87 LYS CA C 87 53.283 54.709 -1.426 1
1 1026 . 19 1 1 A 87 87 LYS HA H 87 4.792 4.471 0.321 1
1 1027 . 19 1 1 A 87 87 LYS CB C 87 32.803 31.855 0.948 1
1 1037 . 19 1 1 A 87 87 LYS C C 87 175.072 174.536 0.536 1
1 1038 . 19 1 1 A 88 88 PRO CA C 88 62.515 62.590 -0.075 1
1 1039 . 19 1 1 A 88 88 PRO HA H 88 4.796 4.696 0.100 1
1 1040 . 19 1 1 A 88 88 PRO CB C 88 32.687 32.685 0.002 1
1 1049 . 19 1 1 A 88 88 PRO C C 88 175.319 176.109 -0.790 1
1 1050 . 19 1 1 A 89 89 THR N N 89 107.501 111.872 -4.371 1
1 1051 . 19 1 1 A 89 89 THR H H 89 7.933 8.201 -0.268 1
1 1052 . 19 1 1 A 89 89 THR CA C 89 58.518 59.859 -1.341 1
1 1053 . 19 1 1 A 89 89 THR HA H 89 4.758 4.736 0.022 1
1 1054 . 19 1 1 A 89 89 THR CB C 89 70.861 71.398 -0.537 1
1 1060 . 19 1 1 A 89 89 THR C C 89 175.662 175.185 0.477 1
1 1061 . 19 1 1 A 90 90 TYR N N 90 120.845 124.850 -4.005 1
1 1062 . 19 1 1 A 90 90 TYR H H 90 8.751 8.877 -0.126 1
1 1063 . 19 1 1 A 90 90 TYR CA C 90 63.195 61.416 1.779 1
1 1064 . 19 1 1 A 90 90 TYR HA H 90 4.064 4.201 -0.137 1
1 1065 . 19 1 1 A 90 90 TYR CB C 90 37.372 38.187 -0.815 1
1 1076 . 19 1 1 A 90 90 TYR C C 90 178.063 178.066 -0.003 1
1 1077 . 19 1 1 A 91 91 GLU N N 91 118.210 120.122 -1.912 1
1 1078 . 19 1 1 A 91 91 GLU H H 91 8.857 8.444 0.413 1
1 1079 . 19 1 1 A 91 91 GLU CA C 91 60.312 59.776 0.536 1
1 1080 . 19 1 1 A 91 91 GLU HA H 91 4.114 3.993 0.121 1
1 1081 . 19 1 1 A 91 91 GLU CB C 91 29.276 29.006 0.270 1
1 1087 . 19 1 1 A 91 91 GLU C C 91 178.970 178.997 -0.027 1
1 1088 . 19 1 1 A 92 92 ASN N N 92 117.220 118.694 -1.474 1
1 1089 . 19 1 1 A 92 92 ASN H H 92 7.894 8.075 -0.181 1
1 1090 . 19 1 1 A 92 92 ASN CA C 92 55.334 56.378 -1.044 1
1 1091 . 19 1 1 A 92 92 ASN HA H 92 4.696 4.494 0.202 1
1 1092 . 19 1 1 A 92 92 ASN CB C 92 37.704 38.433 -0.729 1
1 1098 . 19 1 1 A 92 92 ASN C C 92 178.155 177.796 0.359 1
1 1099 . 19 1 1 A 93 93 LEU N N 93 121.622 121.243 0.379 1
1 1100 . 19 1 1 A 93 93 LEU H H 93 8.038 8.206 -0.168 1
1 1101 . 19 1 1 A 93 93 LEU CA C 93 58.495 58.902 -0.407 1
1 1102 . 19 1 1 A 93 93 LEU HA H 93 4.092 3.980 0.112 1
1 1103 . 19 1 1 A 93 93 LEU CB C 93 41.383 41.896 -0.513 1
1 1116 . 19 1 1 A 93 93 LEU C C 93 177.808 178.469 -0.661 1
1 1117 . 19 1 1 A 94 94 GLN N N 94 120.352 118.220 2.132 1
1 1118 . 19 1 1 A 94 94 GLN H H 94 8.792 8.044 0.748 1
1 1119 . 19 1 1 A 94 94 GLN CA C 94 61.099 59.289 1.810 1
1 1120 . 19 1 1 A 94 94 GLN HA H 94 3.721 3.968 -0.247 1
1 1121 . 19 1 1 A 94 94 GLN CB C 94 27.560 28.792 -1.232 1
1 1130 . 19 1 1 A 94 94 GLN C C 94 178.042 178.341 -0.299 1
1 1131 . 19 1 1 A 95 95 LYS N N 95 117.824 118.419 -0.595 1
1 1132 . 19 1 1 A 95 95 LYS H H 95 7.803 7.722 0.081 1
1 1133 . 19 1 1 A 95 95 LYS CA C 95 60.222 59.414 0.808 1
1 1134 . 19 1 1 A 95 95 LYS HA H 95 4.012 3.931 0.081 1
1 1135 . 19 1 1 A 95 95 LYS CB C 95 33.168 32.384 0.784 1
1 1147 . 19 1 1 A 95 95 LYS C C 95 179.868 179.055 0.813 1
1 1148 . 19 1 1 A 96 96 SER N N 96 118.301 115.836 2.465 1
1 1149 . 19 1 1 A 96 96 SER H H 96 8.251 8.087 0.164 1
1 1150 . 19 1 1 A 96 96 SER CA C 96 63.668 62.363 1.305 1
1 1151 . 19 1 1 A 96 96 SER HA H 96 3.710 4.136 -0.426 1
1 1152 . 19 1 1 A 96 96 SER CB C 96 62.882 62.703 0.179 1
1 1155 . 19 1 1 A 96 96 SER C C 96 176.400 176.151 0.249 1
1 1156 . 19 1 1 A 97 97 LEU N N 97 122.701 120.797 1.904 1
1 1157 . 19 1 1 A 97 97 LEU H H 97 8.467 8.231 0.236 1
1 1158 . 19 1 1 A 97 97 LEU CA C 97 58.323 57.924 0.399 1
1 1159 . 19 1 1 A 97 97 LEU HA H 97 3.861 3.958 -0.097 1
1 1160 . 19 1 1 A 97 97 LEU CB C 97 42.995 41.405 1.590 1
1 1173 . 19 1 1 A 97 97 LEU C C 97 178.941 179.572 -0.631 1
1 1174 . 19 1 1 A 98 98 GLU N N 98 119.918 119.338 0.580 1
1 1175 . 19 1 1 A 98 98 GLU H H 98 8.410 8.303 0.107 1
1 1176 . 19 1 1 A 98 98 GLU CA C 98 59.561 59.123 0.438 1
1 1177 . 19 1 1 A 98 98 GLU HA H 98 3.622 3.899 -0.277 1
1 1178 . 19 1 1 A 98 98 GLU CB C 98 29.142 29.144 -0.002 1
1 1184 . 19 1 1 A 98 98 GLU C C 98 179.137 178.916 0.221 1
1 1185 . 19 1 1 A 99 99 ALA N N 99 124.193 122.518 1.675 1
1 1186 . 19 1 1 A 99 99 ALA H H 99 8.197 8.267 -0.070 1
1 1187 . 19 1 1 A 99 99 ALA CA C 99 55.016 55.125 -0.109 1
1 1188 . 19 1 1 A 99 99 ALA HA H 99 4.247 4.096 0.151 1
1 1189 . 19 1 1 A 99 99 ALA CB C 99 17.815 18.186 -0.371 1
1 1193 . 19 1 1 A 99 99 ALA C C 99 181.133 179.704 1.429 1
1 1194 . 19 1 1 A 100 100 MET N N 100 122.009 118.433 3.576 1
1 1195 . 19 1 1 A 100 100 MET H H 100 8.482 8.357 0.125 1
1 1196 . 19 1 1 A 100 100 MET CA C 100 59.826 58.224 1.602 1
1 1197 . 19 1 1 A 100 100 MET HA H 100 3.714 3.992 -0.278 1
1 1198 . 19 1 1 A 100 100 MET CB C 100 32.944 32.362 0.582 1
1 1208 . 19 1 1 A 100 100 MET C C 100 176.658 177.881 -1.223 1
1 1209 . 19 1 1 A 101 101 LYS N N 101 120.991 118.796 2.195 1
1 1210 . 19 1 1 A 101 101 LYS H H 101 8.721 7.667 1.054 1
1 1211 . 19 1 1 A 101 101 LYS CA C 101 60.563 58.888 1.675 1
1 1212 . 19 1 1 A 101 101 LYS HA H 101 3.614 4.060 -0.446 1
1 1213 . 19 1 1 A 101 101 LYS CB C 101 30.759 32.090 -1.331 1
1 1225 . 19 1 1 A 101 101 LYS C C 101 177.419 178.299 -0.880 1
1 1226 . 19 1 1 A 102 102 SER N N 102 111.833 114.622 -2.789 1
1 1227 . 19 1 1 A 102 102 SER H H 102 8.005 7.812 0.193 1
1 1228 . 19 1 1 A 102 102 SER CA C 102 61.993 61.774 0.219 1
1 1229 . 19 1 1 A 102 102 SER HA H 102 4.082 4.108 -0.026 1
1 1230 . 19 1 1 A 102 102 SER CB C 102 62.863 63.030 -0.167 1
1 1233 . 19 1 1 A 102 102 SER C C 102 176.601 176.786 -0.185 1
1 1234 . 19 1 1 A 103 103 HIS N N 103 121.793 120.779 1.014 1
1 1235 . 19 1 1 A 103 103 HIS H H 103 7.605 8.001 -0.396 1
1 1236 . 19 1 1 A 103 103 HIS CA C 103 62.090 60.126 1.964 1
1 1237 . 19 1 1 A 103 103 HIS HA H 103 4.000 4.246 -0.246 1
1 1238 . 19 1 1 A 103 103 HIS CB C 103 30.652 29.996 0.656 1
1 1245 . 19 1 1 A 103 103 HIS C C 103 179.129 176.479 2.650 1
1 1246 . 19 1 1 A 104 104 CYS N N 104 119.421 116.494 2.927 1
1 1247 . 19 1 1 A 104 104 CYS H H 104 9.261 7.897 1.364 1
1 1248 . 19 1 1 A 104 104 CYS CA C 104 63.841 63.684 0.157 1
1 1249 . 19 1 1 A 104 104 CYS HA H 104 4.105 4.361 -0.256 1
1 1250 . 19 1 1 A 104 104 CYS CB C 104 27.916 27.194 0.722 1
1 1253 . 19 1 1 A 104 104 CYS C C 104 178.176 177.384 0.792 1
1 1254 . 19 1 1 A 105 105 LEU N N 105 117.129 120.642 -3.513 1
1 1255 . 19 1 1 A 105 105 LEU H H 105 8.331 7.971 0.360 1
1 1256 . 19 1 1 A 105 105 LEU CA C 105 57.262 58.096 -0.834 1
1 1257 . 19 1 1 A 105 105 LEU HA H 105 4.245 3.976 0.269 1
1 1258 . 19 1 1 A 105 105 LEU CB C 105 42.030 41.821 0.209 1
1 1271 . 19 1 1 A 105 105 LEU C C 105 180.635 179.004 1.631 1
1 1272 . 19 1 1 A 106 106 LYS N N 106 118.583 116.994 1.589 1
1 1273 . 19 1 1 A 106 106 LYS H H 106 7.638 8.067 -0.429 1
1 1274 . 19 1 1 A 106 106 LYS CA C 106 58.075 60.188 -2.113 1
1 1275 . 19 1 1 A 106 106 LYS HA H 106 4.140 3.894 0.246 1
1 1276 . 19 1 1 A 106 106 LYS CB C 106 33.191 32.191 1.000 1
1 1288 . 19 1 1 A 106 106 LYS C C 106 177.466 178.685 -1.219 1
1 1289 . 19 1 1 A 107 107 ASN N N 107 113.320 114.672 -1.352 1
1 1290 . 19 1 1 A 107 107 ASN H H 107 7.606 7.905 -0.299 1
1 1291 . 19 1 1 A 107 107 ASN CA C 107 53.813 55.151 -1.338 1
1 1292 . 19 1 1 A 107 107 ASN HA H 107 4.841 4.650 0.191 1
1 1293 . 19 1 1 A 107 107 ASN CB C 107 39.785 38.485 1.300 1
1 1299 . 19 1 1 A 107 107 ASN C C 107 174.443 175.591 -1.148 1
1 1300 . 19 1 1 A 108 108 GLY N N 108 109.386 107.982 1.404 1
1 1301 . 19 1 1 A 108 108 GLY H H 108 7.667 8.091 -0.424 1
1 1302 . 19 1 1 A 108 108 GLY CA C 108 47.252 45.162 2.090 1
1 1303 . 19 1 1 A 108 108 GLY HA2 H 108 4.023 4.098 -0.075 1
1 1304 . 19 1 1 A 108 108 GLY HA3 H 108 4.023 4.101 -0.078 1
1 1305 . 19 1 1 A 108 108 GLY C C 108 174.436 174.487 -0.051 1
1 1306 . 19 1 1 A 109 109 VAL N N 109 122.758 120.856 1.902 1
1 1307 . 19 1 1 A 109 109 VAL H H 109 8.480 8.030 0.450 1
1 1308 . 19 1 1 A 109 109 VAL CA C 109 63.788 61.833 1.955 1
1 1309 . 19 1 1 A 109 109 VAL HA H 109 4.094 4.272 -0.178 1
1 1310 . 19 1 1 A 109 109 VAL CB C 109 32.931 30.858 2.073 1
1 1320 . 19 1 1 A 109 109 VAL C C 109 176.089 175.895 0.194 1
1 1321 . 19 1 1 A 110 110 THR N N 110 115.431 122.844 -7.413 1
1 1322 . 19 1 1 A 110 110 THR H H 110 8.995 8.755 0.240 1
1 1323 . 19 1 1 A 110 110 THR CA C 110 62.045 63.643 -1.598 1
1 1324 . 19 1 1 A 110 110 THR HA H 110 4.515 4.397 0.118 1
1 1325 . 19 1 1 A 110 110 THR CB C 110 70.758 69.566 1.192 1
1 1331 . 19 1 1 A 110 110 THR C C 110 173.700 173.842 -0.142 1
1 1332 . 19 1 1 A 111 111 ASP N N 111 123.757 120.334 3.423 1
1 1333 . 19 1 1 A 111 111 ASP H H 111 8.123 7.768 0.355 1
1 1334 . 19 1 1 A 111 111 ASP CA C 111 54.747 53.309 1.438 1
1 1335 . 19 1 1 A 111 111 ASP HA H 111 5.527 5.205 0.322 1
1 1336 . 19 1 1 A 111 111 ASP CB C 111 43.928 42.611 1.317 1
1 1339 . 19 1 1 A 111 111 ASP C C 111 172.807 175.140 -2.333 1
1 1340 . 19 1 1 A 112 112 LEU N N 112 123.145 126.915 -3.770 1
1 1341 . 19 1 1 A 112 112 LEU H H 112 8.671 8.842 -0.171 1
1 1342 . 19 1 1 A 112 112 LEU CA C 112 52.953 53.811 -0.858 1
1 1343 . 19 1 1 A 112 112 LEU HA H 112 5.213 5.133 0.080 1
1 1344 . 19 1 1 A 112 112 LEU CB C 112 47.875 46.367 1.508 1
1 1357 . 19 1 1 A 112 112 LEU C C 112 176.803 174.282 2.521 1
1 1358 . 19 1 1 A 113 113 SER N N 113 122.973 122.503 0.470 1
1 1359 . 19 1 1 A 113 113 SER H H 113 9.473 8.533 0.940 1
1 1360 . 19 1 1 A 113 113 SER CA C 113 59.207 57.285 1.922 1
1 1361 . 19 1 1 A 113 113 SER HA H 113 6.070 5.574 0.496 1
1 1362 . 19 1 1 A 113 113 SER CB C 113 67.023 65.224 1.799 1
1 1365 . 19 1 1 A 113 113 SER C C 113 172.066 173.435 -1.369 1
1 1366 . 19 1 1 A 114 114 MET N N 114 118.476 122.339 -3.863 1
1 1367 . 19 1 1 A 114 114 MET H H 114 9.080 8.898 0.182 1
1 1368 . 19 1 1 A 114 114 MET CA C 114 54.007 53.187 0.820 1
1 1369 . 19 1 1 A 114 114 MET HA H 114 5.435 5.265 0.170 1
1 1370 . 19 1 1 A 114 114 MET CB C 114 34.867 35.570 -0.703 1
1 1380 . 19 1 1 A 114 114 MET C C 114 172.934 174.500 -1.566 1
1 1381 . 19 1 1 A 115 115 PRO CA C 115 62.262 62.354 -0.092 1
1 1382 . 19 1 1 A 115 115 PRO HA H 115 5.593 4.737 0.856 1
1 1383 . 19 1 1 A 115 115 PRO CB C 115 32.748 33.304 -0.556 1
1 1392 . 19 1 1 A 115 115 PRO C C 115 175.547 176.186 -0.639 1
1 1393 . 19 1 1 A 116 116 ARG N N 116 116.821 120.863 -4.042 1
1 1394 . 19 1 1 A 116 116 ARG H H 116 8.348 8.522 -0.174 1
1 1395 . 19 1 1 A 116 116 ARG CA C 116 55.785 56.105 -0.320 1
1 1396 . 19 1 1 A 116 116 ARG HA H 116 3.896 4.341 -0.445 1
1 1397 . 19 1 1 A 116 116 ARG CB C 116 27.344 30.478 -3.134 1
1 1406 . 19 1 1 A 116 116 ARG C C 116 176.796 176.217 0.579 1
1 1407 . 19 1 1 A 117 117 ILE N N 117 122.887 120.260 2.627 1
1 1408 . 19 1 1 A 117 117 ILE H H 117 7.989 9.168 -1.179 1
1 1409 . 19 1 1 A 117 117 ILE CA C 117 63.148 59.350 3.798 1
1 1410 . 19 1 1 A 117 117 ILE HA H 117 4.028 5.144 -1.116 1
1 1411 . 19 1 1 A 117 117 ILE CB C 117 40.010 40.372 -0.362 1
1 1424 . 19 1 1 A 117 117 ILE C C 117 174.324 175.478 -1.154 1
1 1425 . 19 1 1 A 118 118 GLY N N 118 107.320 110.664 -3.344 1
1 1426 . 19 1 1 A 118 118 GLY H H 118 8.662 8.432 0.230 1
1 1427 . 19 1 1 A 118 118 GLY CA C 118 45.752 45.315 0.437 1
1 1428 . 19 1 1 A 118 118 GLY HA2 H 118 3.693 4.254 -0.561 1
1 1429 . 19 1 1 A 118 118 GLY HA3 H 118 4.226 4.314 -0.088 1
1 1430 . 19 1 1 A 118 118 GLY C C 118 172.861 174.619 -1.758 1
1 1431 . 19 1 1 A 119 119 CYS N N 119 115.336 120.071 -4.735 1
1 1432 . 19 1 1 A 119 119 CYS H H 119 7.445 8.003 -0.558 1
1 1433 . 19 1 1 A 119 119 CYS CA C 119 58.753 60.698 -1.945 1
1 1434 . 19 1 1 A 119 119 CYS HA H 119 4.831 4.214 0.617 1
1 1435 . 19 1 1 A 119 119 CYS CB C 119 28.840 27.406 1.434 1
1 1438 . 19 1 1 A 121 121 LEU CA C 121 57.692 57.991 -0.299 1
1 1439 . 19 1 1 A 121 121 LEU HA H 121 4.152 4.075 0.077 1
1 1440 . 19 1 1 A 121 121 LEU CB C 121 41.644 42.184 -0.540 1
1 1453 . 19 1 1 A 123 123 ARG N N 123 107.909 118.644 -10.735 1
1 1454 . 19 1 1 A 123 123 ARG H H 123 7.536 8.010 -0.474 1
1 1455 . 19 1 1 A 123 123 ARG CA C 123 57.775 59.450 -1.675 1
1 1456 . 19 1 1 A 123 123 ARG HA H 123 3.989 3.964 0.025 1
1 1457 . 19 1 1 A 123 123 ARG CB C 123 28.219 30.000 -1.781 1
1 1466 . 19 1 1 A 123 123 ARG C C 123 176.088 176.509 -0.421 1
1 1467 . 19 1 1 A 124 124 LEU N N 124 118.876 118.165 0.711 1
1 1468 . 19 1 1 A 124 124 LEU H H 124 8.401 7.407 0.994 1
1 1469 . 19 1 1 A 124 124 LEU CA C 124 54.573 53.141 1.432 1
1 1470 . 19 1 1 A 124 124 LEU HA H 124 4.533 5.206 -0.673 1
1 1471 . 19 1 1 A 124 124 LEU CB C 124 39.785 46.333 -6.548 1
1 1484 . 19 1 1 A 124 124 LEU C C 124 175.551 175.923 -0.372 1
1 1485 . 19 1 1 A 125 125 GLN N N 125 116.713 119.098 -2.385 1
1 1486 . 19 1 1 A 125 125 GLN H H 125 7.779 8.660 -0.881 1
1 1487 . 19 1 1 A 125 125 GLN CA C 125 54.609 54.252 0.357 1
1 1488 . 19 1 1 A 125 125 GLN HA H 125 4.794 5.011 -0.217 1
1 1489 . 19 1 1 A 125 125 GLN CB C 125 30.327 32.146 -1.819 1
1 1498 . 19 1 1 A 125 125 GLN C C 125 177.722 176.201 1.521 1
1 1499 . 19 1 1 A 126 126 TRP N N 126 128.887 126.899 1.988 1
1 1500 . 19 1 1 A 126 126 TRP H H 126 9.755 9.181 0.574 1
1 1501 . 19 1 1 A 126 126 TRP CA C 126 59.962 61.206 -1.244 1
1 1502 . 19 1 1 A 126 126 TRP HA H 126 4.545 4.261 0.284 1
1 1503 . 19 1 1 A 126 126 TRP CB C 126 30.009 30.405 -0.396 1
1 1518 . 19 1 1 A 126 126 TRP C C 126 177.057 178.036 -0.979 1
1 1519 . 19 1 1 A 127 127 GLU N N 127 119.568 118.357 1.211 1
1 1520 . 19 1 1 A 127 127 GLU H H 127 9.946 8.512 1.434 1
1 1521 . 19 1 1 A 127 127 GLU CA C 127 60.623 59.686 0.937 1
1 1522 . 19 1 1 A 127 127 GLU HA H 127 3.780 3.965 -0.185 1
1 1523 . 19 1 1 A 127 127 GLU CB C 127 28.594 29.548 -0.954 1
1 1529 . 19 1 1 A 127 127 GLU C C 127 177.905 179.059 -1.154 1
1 1530 . 19 1 1 A 128 128 ASN N N 128 115.229 118.271 -3.042 1
1 1531 . 19 1 1 A 128 128 ASN H H 128 7.159 8.190 -1.031 1
1 1532 . 19 1 1 A 128 128 ASN CA C 128 55.370 55.853 -0.483 1
1 1533 . 19 1 1 A 128 128 ASN HA H 128 4.446 4.356 0.090 1
1 1534 . 19 1 1 A 128 128 ASN CB C 128 38.522 38.133 0.389 1
1 1540 . 19 1 1 A 128 128 ASN C C 128 177.374 177.768 -0.394 1
1 1541 . 19 1 1 A 129 129 VAL N N 129 122.487 119.632 2.855 1
1 1542 . 19 1 1 A 129 129 VAL H H 129 8.033 7.526 0.507 1
1 1543 . 19 1 1 A 129 129 VAL CA C 129 67.289 66.754 0.535 1
1 1544 . 19 1 1 A 129 129 VAL HA H 129 3.489 3.546 -0.057 1
1 1545 . 19 1 1 A 129 129 VAL CB C 129 31.824 31.464 0.360 1
1 1555 . 19 1 1 A 129 129 VAL C C 129 177.209 177.666 -0.457 1
1 1556 . 19 1 1 A 130 130 SER N N 130 115.189 113.979 1.210 1
1 1557 . 19 1 1 A 130 130 SER H H 130 8.550 7.932 0.618 1
1 1558 . 19 1 1 A 130 130 SER CA C 130 61.477 60.780 0.697 1
1 1559 . 19 1 1 A 130 130 SER HA H 130 3.151 3.689 -0.538 1
1 1560 . 19 1 1 A 130 130 SER CB C 130 61.348 61.843 -0.495 1
1 1563 . 19 1 1 A 130 130 SER C C 130 175.971 176.636 -0.665 1
1 1564 . 19 1 1 A 131 131 ALA N N 131 123.596 123.650 -0.054 1
1 1565 . 19 1 1 A 131 131 ALA H H 131 6.551 7.497 -0.946 1
1 1566 . 19 1 1 A 131 131 ALA CA C 131 54.947 55.104 -0.157 1
1 1567 . 19 1 1 A 131 131 ALA HA H 131 4.079 3.921 0.158 1
1 1568 . 19 1 1 A 131 131 ALA CB C 131 18.023 18.145 -0.122 1
1 1572 . 19 1 1 A 131 131 ALA C C 131 179.947 179.891 0.056 1
1 1573 . 19 1 1 A 132 132 MET N N 132 119.410 116.247 3.163 1
1 1574 . 19 1 1 A 132 132 MET H H 132 7.442 8.017 -0.575 1
1 1575 . 19 1 1 A 132 132 MET CA C 132 58.917 58.344 0.573 1
1 1576 . 19 1 1 A 132 132 MET HA H 132 4.118 4.081 0.037 1
1 1577 . 19 1 1 A 132 132 MET CB C 132 33.984 32.749 1.235 1
1 1587 . 19 1 1 A 132 132 MET C C 132 178.019 178.728 -0.709 1
1 1588 . 19 1 1 A 133 133 ILE N N 133 120.265 119.239 1.026 1
1 1589 . 19 1 1 A 133 133 ILE H H 133 8.554 8.003 0.551 1
1 1590 . 19 1 1 A 133 133 ILE CA C 133 66.859 65.280 1.579 1
1 1591 . 19 1 1 A 133 133 ILE HA H 133 3.470 3.860 -0.390 1
1 1592 . 19 1 1 A 133 133 ILE CB C 133 38.240 37.478 0.762 1
1 1605 . 19 1 1 A 133 133 ILE C C 133 177.949 178.977 -1.028 1
1 1606 . 19 1 1 A 134 134 GLU N N 134 117.011 121.958 -4.947 1
1 1607 . 19 1 1 A 134 134 GLU H H 134 8.106 8.206 -0.100 1
1 1608 . 19 1 1 A 134 134 GLU CA C 134 59.844 59.613 0.231 1
1 1609 . 19 1 1 A 134 134 GLU HA H 134 3.919 4.132 -0.213 1
1 1610 . 19 1 1 A 134 134 GLU CB C 134 29.024 29.809 -0.785 1
1 1616 . 19 1 1 A 134 134 GLU C C 134 178.982 179.591 -0.609 1
1 1617 . 19 1 1 A 135 135 GLU N N 135 118.619 118.709 -0.090 1
1 1618 . 19 1 1 A 135 135 GLU H H 135 7.848 8.170 -0.322 1
1 1619 . 19 1 1 A 135 135 GLU CA C 135 59.438 59.034 0.404 1
1 1620 . 19 1 1 A 135 135 GLU HA H 135 4.090 4.099 -0.009 1
1 1621 . 19 1 1 A 135 135 GLU CB C 135 29.948 28.168 1.780 1
1 1627 . 19 1 1 A 135 135 GLU C C 135 179.547 178.620 0.927 1
1 1628 . 19 1 1 A 136 136 VAL N N 136 119.915 120.653 -0.738 1
1 1629 . 19 1 1 A 136 136 VAL H H 136 8.793 7.773 1.020 1
1 1630 . 19 1 1 A 136 136 VAL CA C 136 66.122 65.374 0.748 1
1 1631 . 19 1 1 A 136 136 VAL HA H 136 3.578 3.694 -0.116 1
1 1632 . 19 1 1 A 136 136 VAL CB C 136 31.990 32.067 -0.077 1
1 1642 . 19 1 1 A 136 136 VAL C C 136 177.646 177.148 0.498 1
1 1643 . 19 1 1 A 137 137 PHE N N 137 111.913 117.085 -5.172 1
1 1644 . 19 1 1 A 137 137 PHE H H 137 8.009 7.684 0.325 1
1 1645 . 19 1 1 A 137 137 PHE CA C 137 59.545 58.377 1.168 1
1 1646 . 19 1 1 A 137 137 PHE HA H 137 4.197 4.553 -0.356 1
1 1647 . 19 1 1 A 137 137 PHE CB C 137 38.105 39.279 -1.174 1
1 1660 . 19 1 1 A 138 138 GLU N N 138 123.997 119.288 4.709 1
1 1661 . 19 1 1 A 138 138 GLU H H 138 7.268 8.483 -1.215 1
1 1662 . 19 1 1 A 138 138 GLU CA C 138 59.222 58.849 0.373 1
1 1663 . 19 1 1 A 138 138 GLU HA H 138 4.161 4.178 -0.017 1
1 1664 . 19 1 1 A 138 138 GLU CB C 138 29.644 29.130 0.514 1
1 1670 . 19 1 1 A 139 139 ALA N N 139 121.713 120.835 0.878 1
1 1671 . 19 1 1 A 139 139 ALA H H 139 8.830 7.655 1.175 1
1 1672 . 19 1 1 A 139 139 ALA CA C 139 52.894 51.382 1.512 1
1 1673 . 19 1 1 A 139 139 ALA HA H 139 4.334 4.445 -0.111 1
1 1674 . 19 1 1 A 139 139 ALA CB C 139 17.362 18.216 -0.854 1
1 1678 . 19 1 1 A 139 139 ALA C C 139 176.943 176.060 0.883 1
1 1679 . 19 1 1 A 140 140 THR N N 140 107.901 109.742 -1.841 1
1 1680 . 19 1 1 A 140 140 THR H H 140 7.809 7.741 0.068 1
1 1681 . 19 1 1 A 140 140 THR CA C 140 61.013 59.960 1.053 1
1 1682 . 19 1 1 A 140 140 THR HA H 140 4.164 4.906 -0.742 1
1 1683 . 19 1 1 A 140 140 THR CB C 140 72.698 72.308 0.390 1
1 1689 . 19 1 1 A 140 140 THR C C 140 174.222 173.524 0.698 1
1 1690 . 19 1 1 A 141 141 ASP N N 141 120.212 119.568 0.644 1
1 1691 . 19 1 1 A 141 141 ASP H H 141 8.959 8.588 0.371 1
1 1692 . 19 1 1 A 141 141 ASP CA C 141 53.333 53.963 -0.630 1
1 1693 . 19 1 1 A 141 141 ASP HA H 141 4.991 4.945 0.046 1
1 1694 . 19 1 1 A 141 141 ASP CB C 141 40.660 41.393 -0.733 1
1 1697 . 19 1 1 A 141 141 ASP C C 141 175.403 174.258 1.145 1
1 1698 . 19 1 1 A 142 142 ILE N N 142 120.815 120.970 -0.155 1
1 1699 . 19 1 1 A 142 142 ILE H H 142 7.444 7.558 -0.114 1
1 1700 . 19 1 1 A 142 142 ILE CA C 142 62.338 60.282 2.056 1
1 1701 . 19 1 1 A 142 142 ILE HA H 142 4.131 4.590 -0.459 1
1 1702 . 19 1 1 A 142 142 ILE CB C 142 38.703 40.532 -1.829 1
1 1715 . 19 1 1 A 142 142 ILE C C 142 175.399 174.942 0.457 1
1 1716 . 19 1 1 A 143 143 LYS N N 143 129.106 127.142 1.964 1
1 1717 . 19 1 1 A 143 143 LYS H H 143 8.588 9.280 -0.692 1
1 1718 . 19 1 1 A 143 143 LYS CA C 143 55.725 55.732 -0.007 1
1 1719 . 19 1 1 A 143 143 LYS HA H 143 4.444 4.671 -0.227 1
1 1720 . 19 1 1 A 143 143 LYS CB C 143 33.768 33.758 0.010 1
1 1732 . 19 1 1 A 143 143 LYS C C 143 174.820 175.555 -0.735 1
1 1733 . 19 1 1 A 144 144 ILE N N 144 122.496 124.464 -1.968 1
1 1734 . 19 1 1 A 144 144 ILE H H 144 7.884 8.821 -0.937 1
1 1735 . 19 1 1 A 144 144 ILE CA C 144 59.861 59.806 0.055 1
1 1736 . 19 1 1 A 144 144 ILE HA H 144 4.937 5.303 -0.366 1
1 1737 . 19 1 1 A 144 144 ILE CB C 144 40.518 40.296 0.222 1
1 1750 . 19 1 1 A 144 144 ILE C C 144 175.232 174.982 0.250 1
1 1751 . 19 1 1 A 145 145 THR N N 145 126.667 123.582 3.085 1
1 1752 . 19 1 1 A 145 145 THR H H 145 9.100 8.819 0.281 1
1 1753 . 19 1 1 A 145 145 THR CA C 145 61.374 61.863 -0.489 1
1 1754 . 19 1 1 A 145 145 THR HA H 145 4.992 5.192 -0.200 1
1 1755 . 19 1 1 A 145 145 THR CB C 145 68.907 71.644 -2.737 1
1 1761 . 19 1 1 A 145 145 THR C C 145 173.158 173.531 -0.373 1
1 1762 . 19 1 1 A 146 146 VAL N N 146 127.717 127.146 0.571 1
1 1763 . 19 1 1 A 146 146 VAL H H 146 8.818 9.246 -0.428 1
1 1764 . 19 1 1 A 146 146 VAL CA C 146 59.930 61.463 -1.533 1
1 1765 . 19 1 1 A 146 146 VAL HA H 146 5.053 4.928 0.125 1
1 1766 . 19 1 1 A 146 146 VAL CB C 146 32.906 32.935 -0.029 1
1 1776 . 19 1 1 A 146 146 VAL C C 146 175.653 174.972 0.681 1
1 1777 . 19 1 1 A 147 147 TYR N N 147 129.304 126.897 2.407 1
1 1778 . 19 1 1 A 147 147 TYR H H 147 8.926 9.155 -0.229 1
1 1779 . 19 1 1 A 147 147 TYR CA C 147 57.290 57.169 0.121 1
1 1780 . 19 1 1 A 147 147 TYR HA H 147 5.283 5.096 0.187 1
1 1781 . 19 1 1 A 147 147 TYR CB C 147 40.422 40.217 0.205 1
1 1792 . 19 1 1 A 147 147 TYR C C 147 177.250 175.467 1.783 1
1 1793 . 19 1 1 A 148 148 THR N N 148 116.883 113.974 2.909 1
1 1794 . 19 1 1 A 148 148 THR H H 148 8.607 9.158 -0.551 1
1 1795 . 19 1 1 A 148 148 THR CA C 148 61.560 60.562 0.998 1
1 1796 . 19 1 1 A 148 148 THR HA H 148 4.431 5.093 -0.662 1
1 1797 . 19 1 1 A 148 148 THR CB C 148 70.966 70.776 0.190 1
1 1803 . 19 1 1 A 148 148 THR C C 148 172.797 173.630 -0.833 1
1 1 . 20 1 1 A 5 5 SER CA C 5 58.376 57.325 1.051 1
1 2 . 20 1 1 A 5 5 SER HA H 5 4.528 4.751 -0.223 1
1 3 . 20 1 1 A 5 5 SER CB C 5 63.813 61.431 2.382 1
1 5 . 20 1 1 A 5 5 SER C C 5 174.968 173.006 1.962 1
1 6 . 20 1 1 A 6 6 SER N N 6 117.996 116.432 1.564 1
1 7 . 20 1 1 A 6 6 SER H H 6 8.503 7.996 0.507 1
1 8 . 20 1 1 A 6 6 SER CA C 6 58.642 57.956 0.686 1
1 9 . 20 1 1 A 6 6 SER HA H 6 4.526 5.171 -0.645 1
1 10 . 20 1 1 A 6 6 SER CB C 6 63.855 65.796 -1.941 1
1 13 . 20 1 1 A 6 6 SER C C 6 175.129 172.768 2.361 1
1 14 . 20 1 1 A 7 7 GLY N N 7 110.904 111.149 -0.245 1
1 15 . 20 1 1 A 7 7 GLY H H 7 8.470 8.783 -0.313 1
1 16 . 20 1 1 A 7 7 GLY CA C 7 45.430 46.040 -0.610 1
1 17 . 20 1 1 A 7 7 GLY HA2 H 7 4.030 4.161 -0.131 1
1 18 . 20 1 1 A 7 7 GLY HA3 H 7 4.030 4.163 -0.133 1
1 19 . 20 1 1 A 7 7 GLY C C 7 174.606 175.296 -0.690 1
1 20 . 20 1 1 A 8 8 GLY N N 8 108.942 111.114 -2.172 1
1 21 . 20 1 1 A 8 8 GLY H H 8 8.286 8.586 -0.300 1
1 22 . 20 1 1 A 8 8 GLY CA C 8 45.058 47.507 -2.449 1
1 23 . 20 1 1 A 8 8 GLY HA2 H 8 4.027 3.860 0.167 1
1 24 . 20 1 1 A 8 8 GLY HA3 H 8 4.199 3.864 0.335 1
1 25 . 20 1 1 A 8 8 GLY C C 8 173.943 175.237 -1.294 1
1 26 . 20 1 1 A 9 9 SER N N 9 115.435 116.707 -1.272 1
1 27 . 20 1 1 A 9 9 SER H H 9 8.275 8.225 0.050 1
1 28 . 20 1 1 A 9 9 SER CA C 9 57.847 57.401 0.446 1
1 29 . 20 1 1 A 9 9 SER HA H 9 4.616 4.594 0.022 1
1 30 . 20 1 1 A 9 9 SER CB C 9 64.102 64.774 -0.672 1
1 33 . 20 1 1 A 9 9 SER C C 9 174.962 174.406 0.556 1
1 34 . 20 1 1 A 10 10 ARG N N 10 126.156 122.783 3.373 1
1 35 . 20 1 1 A 10 10 ARG H H 10 9.427 8.625 0.802 1
1 36 . 20 1 1 A 10 10 ARG CA C 10 56.662 57.422 -0.760 1
1 37 . 20 1 1 A 10 10 ARG HA H 10 4.332 4.316 0.016 1
1 38 . 20 1 1 A 10 10 ARG CB C 10 30.289 30.759 -0.470 1
1 49 . 20 1 1 A 10 10 ARG C C 10 175.504 176.885 -1.381 1
1 50 . 20 1 1 A 11 11 ILE N N 11 119.127 120.531 -1.404 1
1 51 . 20 1 1 A 11 11 ILE H H 11 8.176 7.636 0.540 1
1 52 . 20 1 1 A 11 11 ILE CA C 11 61.153 62.050 -0.897 1
1 53 . 20 1 1 A 11 11 ILE HA H 11 4.553 3.894 0.659 1
1 54 . 20 1 1 A 11 11 ILE CB C 11 39.949 38.202 1.747 1
1 67 . 20 1 1 A 11 11 ILE C C 11 176.134 174.915 1.219 1
1 68 . 20 1 1 A 12 12 THR N N 12 124.682 123.178 1.504 1
1 69 . 20 1 1 A 12 12 THR H H 12 8.534 8.211 0.323 1
1 70 . 20 1 1 A 12 12 THR CA C 12 61.630 61.044 0.586 1
1 71 . 20 1 1 A 12 12 THR HA H 12 4.359 4.740 -0.381 1
1 72 . 20 1 1 A 12 12 THR CB C 12 70.705 71.047 -0.342 1
1 78 . 20 1 1 A 12 12 THR C C 12 171.804 173.169 -1.365 1
1 79 . 20 1 1 A 13 13 TYR N N 13 124.043 125.816 -1.773 1
1 80 . 20 1 1 A 13 13 TYR H H 13 8.691 8.676 0.015 1
1 81 . 20 1 1 A 13 13 TYR CA C 13 57.846 57.227 0.619 1
1 82 . 20 1 1 A 13 13 TYR HA H 13 5.099 5.475 -0.376 1
1 83 . 20 1 1 A 13 13 TYR CB C 13 39.895 39.828 0.067 1
1 94 . 20 1 1 A 13 13 TYR C C 13 175.924 175.688 0.236 1
1 95 . 20 1 1 A 14 14 VAL N N 14 124.012 122.825 1.187 1
1 96 . 20 1 1 A 14 14 VAL H H 14 8.633 9.044 -0.411 1
1 97 . 20 1 1 A 14 14 VAL CA C 14 60.958 60.050 0.908 1
1 98 . 20 1 1 A 14 14 VAL HA H 14 4.015 4.700 -0.685 1
1 99 . 20 1 1 A 14 14 VAL CB C 14 35.416 34.887 0.529 1
1 109 . 20 1 1 A 14 14 VAL C C 14 173.974 173.492 0.482 1
1 110 . 20 1 1 A 15 15 LYS N N 15 127.960 126.500 1.460 1
1 111 . 20 1 1 A 15 15 LYS H H 15 8.318 8.746 -0.428 1
1 112 . 20 1 1 A 15 15 LYS CA C 15 54.152 54.911 -0.759 1
1 113 . 20 1 1 A 15 15 LYS HA H 15 5.126 5.145 -0.019 1
1 114 . 20 1 1 A 15 15 LYS CB C 15 32.086 34.736 -2.650 1
1 126 . 20 1 1 A 15 15 LYS C C 15 176.050 175.155 0.895 1
1 127 . 20 1 1 A 16 16 GLY N N 16 114.545 112.348 2.197 1
1 128 . 20 1 1 A 16 16 GLY H H 16 8.508 8.310 0.198 1
1 129 . 20 1 1 A 16 16 GLY CA C 16 45.006 43.853 1.153 1
1 130 . 20 1 1 A 16 16 GLY HA2 H 16 4.028 4.099 -0.071 1
1 131 . 20 1 1 A 16 16 GLY HA3 H 16 4.197 4.122 0.075 1
1 132 . 20 1 1 A 16 16 GLY C C 16 170.957 173.301 -2.344 1
1 133 . 20 1 1 A 17 17 ASP N N 17 119.423 121.161 -1.738 1
1 134 . 20 1 1 A 17 17 ASP H H 17 8.271 8.582 -0.311 1
1 135 . 20 1 1 A 17 17 ASP CA C 17 53.164 55.328 -2.164 1
1 136 . 20 1 1 A 17 17 ASP HA H 17 4.407 4.310 0.097 1
1 137 . 20 1 1 A 17 17 ASP CB C 17 41.912 41.769 0.143 1
1 140 . 20 1 1 A 17 17 ASP C C 17 176.089 176.073 0.016 1
1 141 . 20 1 1 A 18 18 LEU N N 18 130.056 125.473 4.583 1
1 142 . 20 1 1 A 18 18 LEU H H 18 8.304 8.486 -0.182 1
1 143 . 20 1 1 A 18 18 LEU CA C 18 57.156 55.640 1.516 1
1 144 . 20 1 1 A 18 18 LEU HA H 18 2.425 3.382 -0.957 1
1 145 . 20 1 1 A 18 18 LEU CB C 18 42.959 43.392 -0.433 1
1 158 . 20 1 1 A 18 18 LEU C C 18 175.737 177.784 -2.047 1
1 159 . 20 1 1 A 19 19 PHE N N 19 109.678 116.652 -6.974 1
1 160 . 20 1 1 A 19 19 PHE H H 19 7.461 7.096 0.365 1
1 161 . 20 1 1 A 19 19 PHE CA C 19 59.844 59.494 0.350 1
1 162 . 20 1 1 A 19 19 PHE HA H 19 3.920 4.342 -0.422 1
1 163 . 20 1 1 A 19 19 PHE CB C 19 36.735 40.296 -3.561 1
1 176 . 20 1 1 A 19 19 PHE C C 19 175.833 177.794 -1.961 1
1 177 . 20 1 1 A 20 20 ALA N N 20 123.506 122.015 1.491 1
1 178 . 20 1 1 A 20 20 ALA H H 20 7.752 8.169 -0.417 1
1 179 . 20 1 1 A 20 20 ALA CA C 20 51.160 54.986 -3.826 1
1 180 . 20 1 1 A 20 20 ALA HA H 20 4.518 4.102 0.416 1
1 181 . 20 1 1 A 20 20 ALA CB C 20 18.395 18.153 0.242 1
1 185 . 20 1 1 A 20 20 ALA C C 20 176.772 179.834 -3.062 1
1 186 . 20 1 1 A 21 21 CYS N N 21 118.823 117.007 1.816 1
1 187 . 20 1 1 A 21 21 CYS H H 21 7.225 8.173 -0.948 1
1 188 . 20 1 1 A 21 21 CYS CA C 21 56.813 63.675 -6.862 1
1 189 . 20 1 1 A 21 21 CYS HA H 21 4.580 4.193 0.387 1
1 190 . 20 1 1 A 21 21 CYS CB C 21 25.916 27.092 -1.176 1
1 193 . 20 1 1 A 21 21 CYS C C 21 170.919 175.214 -4.295 1
1 194 . 20 1 1 A 22 22 PRO CA C 22 64.000 62.609 1.391 1
1 195 . 20 1 1 A 22 22 PRO HA H 22 4.373 4.501 -0.128 1
1 196 . 20 1 1 A 22 22 PRO CB C 22 31.802 33.367 -1.565 1
1 205 . 20 1 1 A 22 22 PRO C C 22 178.609 176.182 2.427 1
1 206 . 20 1 1 A 23 23 LYS N N 23 122.870 120.668 2.202 1
1 207 . 20 1 1 A 23 23 LYS H H 23 8.785 8.479 0.306 1
1 208 . 20 1 1 A 23 23 LYS CA C 23 58.671 57.269 1.402 1
1 209 . 20 1 1 A 23 23 LYS HA H 23 4.103 4.472 -0.369 1
1 210 . 20 1 1 A 23 23 LYS CB C 23 32.078 35.445 -3.367 1
1 222 . 20 1 1 A 23 23 LYS C C 23 175.722 177.603 -1.881 1
1 223 . 20 1 1 A 24 24 THR N N 24 102.744 112.097 -9.353 1
1 224 . 20 1 1 A 24 24 THR H H 24 7.097 8.088 -0.991 1
1 225 . 20 1 1 A 24 24 THR CA C 24 61.064 61.689 -0.625 1
1 226 . 20 1 1 A 24 24 THR HA H 24 4.166 4.543 -0.377 1
1 227 . 20 1 1 A 24 24 THR CB C 24 68.805 71.230 -2.425 1
1 233 . 20 1 1 A 24 24 THR C C 24 176.216 174.193 2.023 1
1 234 . 20 1 1 A 25 25 ASP N N 25 125.303 122.981 2.322 1
1 235 . 20 1 1 A 25 25 ASP H H 25 7.768 7.706 0.062 1
1 236 . 20 1 1 A 25 25 ASP CA C 25 55.246 54.903 0.343 1
1 237 . 20 1 1 A 25 25 ASP HA H 25 4.536 4.550 -0.014 1
1 238 . 20 1 1 A 25 25 ASP CB C 25 40.321 41.004 -0.683 1
1 241 . 20 1 1 A 25 25 ASP C C 25 177.718 176.227 1.491 1
1 242 . 20 1 1 A 26 26 SER N N 26 118.303 117.207 1.096 1
1 243 . 20 1 1 A 26 26 SER H H 26 8.472 8.477 -0.005 1
1 244 . 20 1 1 A 26 26 SER CA C 26 61.547 57.885 3.662 1
1 245 . 20 1 1 A 26 26 SER HA H 26 5.138 4.742 0.396 1
1 246 . 20 1 1 A 26 26 SER CB C 26 65.326 65.404 -0.078 1
1 249 . 20 1 1 A 26 26 SER C C 26 172.446 173.761 -1.315 1
1 250 . 20 1 1 A 27 27 LEU N N 27 121.957 120.751 1.206 1
1 251 . 20 1 1 A 27 27 LEU H H 27 8.553 8.342 0.211 1
1 252 . 20 1 1 A 27 27 LEU CA C 27 53.919 53.636 0.283 1
1 253 . 20 1 1 A 27 27 LEU HA H 27 6.004 5.736 0.268 1
1 254 . 20 1 1 A 27 27 LEU CB C 27 48.728 46.265 2.463 1
1 267 . 20 1 1 A 27 27 LEU C C 27 176.071 175.437 0.634 1
1 268 . 20 1 1 A 28 28 ALA N N 28 119.120 122.533 -3.413 1
1 269 . 20 1 1 A 28 28 ALA H H 28 8.083 8.313 -0.230 1
1 270 . 20 1 1 A 28 28 ALA CA C 28 50.738 51.221 -0.483 1
1 271 . 20 1 1 A 28 28 ALA HA H 28 5.833 5.325 0.508 1
1 272 . 20 1 1 A 28 28 ALA CB C 28 24.493 23.217 1.276 1
1 276 . 20 1 1 A 28 28 ALA C C 28 174.396 175.616 -1.220 1
1 277 . 20 1 1 A 29 29 HIS N N 29 111.296 115.504 -4.208 1
1 278 . 20 1 1 A 29 29 HIS H H 29 8.042 8.930 -0.888 1
1 279 . 20 1 1 A 29 29 HIS CA C 29 55.617 54.174 1.443 1
1 280 . 20 1 1 A 29 29 HIS HA H 29 4.552 5.238 -0.686 1
1 281 . 20 1 1 A 29 29 HIS CB C 29 31.644 31.611 0.033 1
1 288 . 20 1 1 A 29 29 HIS C C 29 172.453 171.428 1.025 1
1 289 . 20 1 1 A 30 30 CYS N N 30 115.842 118.661 -2.819 1
1 290 . 20 1 1 A 30 30 CYS H H 30 8.182 8.701 -0.519 1
1 291 . 20 1 1 A 30 30 CYS CA C 30 57.610 56.818 0.792 1
1 292 . 20 1 1 A 30 30 CYS HA H 30 5.489 5.415 0.074 1
1 293 . 20 1 1 A 30 30 CYS CB C 30 30.518 30.301 0.217 1
1 296 . 20 1 1 A 30 30 CYS C C 30 175.085 174.090 0.995 1
1 297 . 20 1 1 A 31 31 ILE N N 31 117.447 121.985 -4.538 1
1 298 . 20 1 1 A 31 31 ILE H H 31 9.209 8.766 0.443 1
1 299 . 20 1 1 A 31 31 ILE CA C 31 60.057 58.575 1.482 1
1 300 . 20 1 1 A 31 31 ILE HA H 31 4.816 4.928 -0.112 1
1 301 . 20 1 1 A 31 31 ILE CB C 31 43.206 42.271 0.935 1
1 314 . 20 1 1 A 31 31 ILE C C 31 173.249 174.829 -1.580 1
1 315 . 20 1 1 A 32 32 SER N N 32 111.596 118.887 -7.291 1
1 316 . 20 1 1 A 32 32 SER H H 32 7.858 8.712 -0.854 1
1 317 . 20 1 1 A 32 32 SER CA C 32 55.599 57.260 -1.661 1
1 318 . 20 1 1 A 32 32 SER HA H 32 5.139 5.052 0.087 1
1 319 . 20 1 1 A 32 32 SER CB C 32 66.377 65.446 0.931 1
1 322 . 20 1 1 A 32 32 SER C C 32 176.120 175.303 0.817 1
1 323 . 20 1 1 A 33 33 GLU N N 33 118.525 124.348 -5.823 1
1 324 . 20 1 1 A 33 33 GLU H H 33 8.189 8.952 -0.763 1
1 325 . 20 1 1 A 33 33 GLU CA C 33 59.273 59.926 -0.653 1
1 326 . 20 1 1 A 33 33 GLU HA H 33 3.759 3.981 -0.222 1
1 327 . 20 1 1 A 33 33 GLU CB C 33 30.553 29.309 1.244 1
1 333 . 20 1 1 A 33 33 GLU C C 33 177.446 178.112 -0.666 1
1 334 . 20 1 1 A 34 34 ASP N N 34 113.498 117.773 -4.275 1
1 335 . 20 1 1 A 34 34 ASP H H 34 7.480 7.552 -0.072 1
1 336 . 20 1 1 A 34 34 ASP CA C 34 54.511 56.279 -1.768 1
1 337 . 20 1 1 A 34 34 ASP HA H 34 4.342 4.428 -0.086 1
1 338 . 20 1 1 A 34 34 ASP CB C 34 40.374 40.781 -0.407 1
1 341 . 20 1 1 A 34 34 ASP C C 34 175.854 176.339 -0.485 1
1 342 . 20 1 1 A 35 35 CYS N N 35 111.837 115.138 -3.301 1
1 343 . 20 1 1 A 35 35 CYS H H 35 8.327 8.288 0.039 1
1 344 . 20 1 1 A 35 35 CYS CA C 35 61.093 60.836 0.257 1
1 345 . 20 1 1 A 35 35 CYS HA H 35 3.772 4.197 -0.425 1
1 346 . 20 1 1 A 35 35 CYS CB C 35 25.679 25.859 -0.180 1
1 349 . 20 1 1 A 35 35 CYS C C 35 173.370 173.793 -0.423 1
1 350 . 20 1 1 A 36 36 ARG N N 36 117.440 119.692 -2.252 1
1 351 . 20 1 1 A 36 36 ARG H H 36 7.473 7.645 -0.172 1
1 352 . 20 1 1 A 36 36 ARG CA C 36 57.988 54.370 3.618 1
1 353 . 20 1 1 A 36 36 ARG HA H 36 3.981 4.503 -0.522 1
1 354 . 20 1 1 A 36 36 ARG CB C 36 30.430 28.596 1.834 1
1 363 . 20 1 1 A 36 36 ARG C C 36 177.233 175.077 2.156 1
1 364 . 20 1 1 A 37 37 MET CA C 37 56.118 54.388 1.730 1
1 365 . 20 1 1 A 37 37 MET HA H 37 4.036 4.699 -0.663 1
1 373 . 20 1 1 A 38 38 GLY H H 38 8.192 8.658 -0.466 1
1 374 . 20 1 1 A 38 38 GLY CA C 38 45.670 45.808 -0.138 1
1 375 . 20 1 1 A 38 38 GLY HA2 H 38 4.220 4.166 0.054 1
1 376 . 20 1 1 A 38 38 GLY HA3 H 38 3.595 4.175 -0.580 1
1 377 . 20 1 1 A 38 38 GLY C C 38 173.799 173.162 0.637 1
1 378 . 20 1 1 A 39 39 ALA N N 39 122.002 120.358 1.644 1
1 379 . 20 1 1 A 39 39 ALA H H 39 7.697 7.478 0.219 1
1 380 . 20 1 1 A 39 39 ALA CA C 39 51.019 51.322 -0.303 1
1 381 . 20 1 1 A 39 39 ALA HA H 39 4.678 4.590 0.088 1
1 382 . 20 1 1 A 39 39 ALA CB C 39 22.608 22.197 0.411 1
1 386 . 20 1 1 A 39 39 ALA C C 39 176.769 177.568 -0.799 1
1 387 . 20 1 1 A 40 40 GLY N N 40 107.149 107.327 -0.178 1
1 388 . 20 1 1 A 40 40 GLY H H 40 8.731 8.723 0.008 1
1 389 . 20 1 1 A 40 40 GLY CA C 40 45.768 46.607 -0.839 1
1 390 . 20 1 1 A 40 40 GLY HA2 H 40 3.957 3.986 -0.029 1
1 391 . 20 1 1 A 40 40 GLY HA3 H 40 4.220 3.996 0.224 1
1 392 . 20 1 1 A 40 40 GLY C C 40 176.747 175.169 1.578 1
1 393 . 20 1 1 A 41 41 ILE CA C 41 63.397 63.192 0.205 1
1 394 . 20 1 1 A 41 41 ILE HA H 41 4.312 4.203 0.109 1
1 395 . 20 1 1 A 41 41 ILE CB C 41 38.794 38.305 0.489 1
1 408 . 20 1 1 A 41 41 ILE C C 41 177.249 177.912 -0.663 1
1 409 . 20 1 1 A 42 42 ALA N N 42 124.835 124.350 0.485 1
1 410 . 20 1 1 A 42 42 ALA H H 42 8.629 7.902 0.727 1
1 411 . 20 1 1 A 42 42 ALA CA C 42 55.599 55.328 0.271 1
1 412 . 20 1 1 A 42 42 ALA HA H 42 4.377 4.185 0.192 1
1 413 . 20 1 1 A 42 42 ALA CB C 42 18.155 18.639 -0.484 1
1 417 . 20 1 1 A 42 42 ALA C C 42 179.079 180.634 -1.555 1
1 418 . 20 1 1 A 43 43 VAL N N 43 116.015 118.779 -2.764 1
1 419 . 20 1 1 A 43 43 VAL H H 43 7.363 7.687 -0.324 1
1 420 . 20 1 1 A 43 43 VAL CA C 43 65.623 66.921 -1.298 1
1 421 . 20 1 1 A 43 43 VAL HA H 43 3.822 3.575 0.247 1
1 422 . 20 1 1 A 43 43 VAL CB C 43 32.408 31.583 0.825 1
1 432 . 20 1 1 A 43 43 VAL C C 43 178.285 178.041 0.244 1
1 433 . 20 1 1 A 44 44 LEU N N 44 119.736 118.919 0.817 1
1 434 . 20 1 1 A 44 44 LEU H H 44 7.357 8.339 -0.982 1
1 435 . 20 1 1 A 44 44 LEU CA C 44 57.460 57.507 -0.047 1
1 436 . 20 1 1 A 44 44 LEU HA H 44 3.968 3.965 0.003 1
1 437 . 20 1 1 A 44 44 LEU CB C 44 41.234 41.592 -0.358 1
1 450 . 20 1 1 A 44 44 LEU C C 44 179.972 179.535 0.437 1
1 451 . 20 1 1 A 45 45 PHE N N 45 118.434 118.305 0.129 1
1 452 . 20 1 1 A 45 45 PHE H H 45 7.733 7.508 0.225 1
1 453 . 20 1 1 A 45 45 PHE CA C 45 63.151 60.901 2.250 1
1 454 . 20 1 1 A 45 45 PHE HA H 45 4.009 4.255 -0.246 1
1 455 . 20 1 1 A 45 45 PHE CB C 45 39.883 39.278 0.605 1
1 468 . 20 1 1 A 45 45 PHE C C 45 180.448 178.724 1.724 1
1 469 . 20 1 1 A 46 46 LYS N N 46 124.749 117.957 6.792 1
1 470 . 20 1 1 A 46 46 LYS H H 46 8.819 8.276 0.543 1
1 471 . 20 1 1 A 46 46 LYS CA C 46 60.958 57.973 2.985 1
1 472 . 20 1 1 A 46 46 LYS HA H 46 4.160 3.791 0.369 1
1 473 . 20 1 1 A 46 46 LYS CB C 46 31.930 31.206 0.724 1
1 485 . 20 1 1 A 46 46 LYS C C 46 179.139 177.765 1.374 1
1 486 . 20 1 1 A 47 47 LYS N N 47 119.317 120.196 -0.879 1
1 487 . 20 1 1 A 47 47 LYS H H 47 8.154 7.888 0.266 1
1 488 . 20 1 1 A 47 47 LYS CA C 47 59.331 58.654 0.677 1
1 489 . 20 1 1 A 47 47 LYS HA H 47 3.939 4.116 -0.177 1
1 490 . 20 1 1 A 47 47 LYS CB C 47 33.065 32.769 0.296 1
1 502 . 20 1 1 A 47 47 LYS C C 47 178.108 178.977 -0.869 1
1 503 . 20 1 1 A 48 48 LYS N N 48 116.005 119.770 -3.765 1
1 504 . 20 1 1 A 48 48 LYS H H 48 7.976 7.787 0.189 1
1 505 . 20 1 1 A 48 48 LYS CA C 48 58.650 59.133 -0.483 1
1 506 . 20 1 1 A 48 48 LYS HA H 48 3.684 3.941 -0.257 1
1 507 . 20 1 1 A 48 48 LYS CB C 48 32.372 31.895 0.477 1
1 519 . 20 1 1 A 48 48 LYS C C 48 178.213 178.102 0.111 1
1 520 . 20 1 1 A 49 49 PHE N N 49 112.629 112.645 -0.016 1
1 521 . 20 1 1 A 49 49 PHE H H 49 7.658 7.567 0.091 1
1 522 . 20 1 1 A 49 49 PHE CA C 49 56.958 57.877 -0.919 1
1 523 . 20 1 1 A 49 49 PHE HA H 49 5.028 4.692 0.336 1
1 524 . 20 1 1 A 49 49 PHE CB C 49 40.496 40.761 -0.265 1
1 537 . 20 1 1 A 49 49 PHE C C 49 176.188 176.369 -0.181 1
1 538 . 20 1 1 A 50 50 GLY N N 50 108.499 107.545 0.954 1
1 539 . 20 1 1 A 50 50 GLY H H 50 7.821 6.396 1.425 1
1 540 . 20 1 1 A 50 50 GLY CA C 50 46.579 46.206 0.373 1
1 541 . 20 1 1 A 50 50 GLY HA2 H 50 3.953 3.189 0.764 1
1 542 . 20 1 1 A 50 50 GLY HA3 H 50 3.953 3.598 0.355 1
1 543 . 20 1 1 A 50 50 GLY C C 50 174.288 175.026 -0.738 1
1 544 . 20 1 1 A 51 51 GLY N N 51 108.968 110.268 -1.300 1
1 545 . 20 1 1 A 51 51 GLY H H 51 8.600 7.959 0.641 1
1 546 . 20 1 1 A 51 51 GLY CA C 51 46.597 45.792 0.805 1
1 547 . 20 1 1 A 51 51 GLY HA2 H 51 3.943 4.387 -0.444 1
1 548 . 20 1 1 A 51 51 GLY HA3 H 51 4.047 4.633 -0.586 1
1 549 . 20 1 1 A 51 51 GLY C C 51 174.522 175.391 -0.869 1
1 550 . 20 1 1 A 52 52 VAL N N 52 118.929 118.732 0.197 1
1 551 . 20 1 1 A 52 52 VAL H H 52 7.980 7.908 0.072 1
1 552 . 20 1 1 A 52 52 VAL CA C 52 68.080 65.713 2.367 1
1 553 . 20 1 1 A 52 52 VAL HA H 52 3.334 3.699 -0.365 1
1 554 . 20 1 1 A 52 52 VAL CB C 52 31.150 31.608 -0.458 1
1 564 . 20 1 1 A 52 52 VAL C C 52 177.566 177.359 0.207 1
1 565 . 20 1 1 A 53 53 GLN N N 53 116.880 121.757 -4.877 1
1 566 . 20 1 1 A 53 53 GLN H H 53 8.513 8.013 0.500 1
1 567 . 20 1 1 A 53 53 GLN CA C 53 58.730 59.148 -0.418 1
1 568 . 20 1 1 A 53 53 GLN HA H 53 3.946 3.949 -0.003 1
1 569 . 20 1 1 A 53 53 GLN CB C 53 28.098 28.233 -0.135 1
1 578 . 20 1 1 A 53 53 GLN C C 53 177.916 178.210 -0.294 1
1 579 . 20 1 1 A 54 54 GLU N N 54 119.584 119.906 -0.322 1
1 580 . 20 1 1 A 54 54 GLU H H 54 7.525 8.071 -0.546 1
1 581 . 20 1 1 A 54 54 GLU CA C 54 59.754 58.939 0.815 1
1 582 . 20 1 1 A 54 54 GLU HA H 54 3.980 4.093 -0.113 1
1 583 . 20 1 1 A 54 54 GLU CB C 54 29.509 30.014 -0.505 1
1 589 . 20 1 1 A 54 54 GLU C C 54 180.168 179.664 0.504 1
1 590 . 20 1 1 A 55 55 LEU N N 55 121.130 120.776 0.354 1
1 591 . 20 1 1 A 55 55 LEU H H 55 8.437 8.470 -0.033 1
1 592 . 20 1 1 A 55 55 LEU CA C 55 58.005 57.723 0.282 1
1 593 . 20 1 1 A 55 55 LEU HA H 55 3.870 3.869 0.001 1
1 594 . 20 1 1 A 55 55 LEU CB C 55 42.588 41.432 1.156 1
1 607 . 20 1 1 A 55 55 LEU C C 55 180.835 179.290 1.545 1
1 608 . 20 1 1 A 56 56 LEU N N 56 123.508 117.923 5.585 1
1 609 . 20 1 1 A 56 56 LEU H H 56 8.664 8.464 0.200 1
1 610 . 20 1 1 A 56 56 LEU CA C 56 58.397 57.496 0.901 1
1 611 . 20 1 1 A 56 56 LEU HA H 56 3.972 3.931 0.041 1
1 612 . 20 1 1 A 56 56 LEU CB C 56 42.087 41.429 0.658 1
1 625 . 20 1 1 A 56 56 LEU C C 56 181.257 179.456 1.801 1
1 626 . 20 1 1 A 57 57 ASN N N 57 116.946 118.786 -1.840 1
1 627 . 20 1 1 A 57 57 ASN H H 57 8.334 7.940 0.394 1
1 628 . 20 1 1 A 57 57 ASN CA C 57 54.627 56.464 -1.837 1
1 629 . 20 1 1 A 57 57 ASN HA H 57 4.566 4.479 0.087 1
1 630 . 20 1 1 A 57 57 ASN CB C 57 38.170 37.774 0.396 1
1 636 . 20 1 1 A 57 57 ASN C C 57 176.756 178.209 -1.453 1
1 637 . 20 1 1 A 58 58 GLN N N 58 118.214 116.974 1.240 1
1 638 . 20 1 1 A 58 58 GLN H H 58 7.670 7.949 -0.279 1
1 639 . 20 1 1 A 58 58 GLN CA C 58 58.022 56.748 1.274 1
1 640 . 20 1 1 A 58 58 GLN HA H 58 4.184 4.220 -0.036 1
1 641 . 20 1 1 A 58 58 GLN CB C 58 28.460 28.777 -0.317 1
1 650 . 20 1 1 A 58 58 GLN C C 58 175.792 175.633 0.159 1
1 651 . 20 1 1 A 59 59 GLN N N 59 114.113 116.124 -2.011 1
1 652 . 20 1 1 A 59 59 GLN H H 59 7.825 7.858 -0.033 1
1 653 . 20 1 1 A 59 59 GLN CA C 59 56.584 56.974 -0.390 1
1 654 . 20 1 1 A 59 59 GLN HA H 59 4.015 3.822 0.193 1
1 655 . 20 1 1 A 59 59 GLN CB C 59 26.829 26.337 0.492 1
1 664 . 20 1 1 A 59 59 GLN C C 59 175.049 175.183 -0.134 1
1 665 . 20 1 1 A 60 60 LYS N N 60 118.472 118.985 -0.513 1
1 666 . 20 1 1 A 60 60 LYS H H 60 9.134 8.168 0.966 1
1 667 . 20 1 1 A 60 60 LYS CA C 60 54.005 56.773 -2.768 1
1 668 . 20 1 1 A 60 60 LYS HA H 60 4.458 4.302 0.156 1
1 669 . 20 1 1 A 60 60 LYS CB C 60 32.573 33.720 -1.147 1
1 681 . 20 1 1 A 60 60 LYS C C 60 176.936 175.579 1.357 1
1 682 . 20 1 1 A 61 61 LYS N N 61 121.877 121.015 0.862 1
1 683 . 20 1 1 A 61 61 LYS H H 61 9.069 8.847 0.222 1
1 684 . 20 1 1 A 61 61 LYS CA C 61 53.421 54.276 -0.855 1
1 685 . 20 1 1 A 61 61 LYS HA H 61 4.517 4.842 -0.325 1
1 686 . 20 1 1 A 61 61 LYS CB C 61 35.816 36.321 -0.505 1
1 698 . 20 1 1 A 61 61 LYS C C 61 175.049 176.242 -1.193 1
1 699 . 20 1 1 A 62 62 SER N N 62 114.153 116.188 -2.035 1
1 700 . 20 1 1 A 62 62 SER H H 62 8.524 8.656 -0.132 1
1 701 . 20 1 1 A 62 62 SER CA C 62 60.959 59.664 1.295 1
1 702 . 20 1 1 A 62 62 SER HA H 62 3.954 4.476 -0.522 1
1 703 . 20 1 1 A 62 62 SER CB C 62 64.374 62.661 1.713 1
1 706 . 20 1 1 A 62 62 SER C C 62 175.660 174.826 0.834 1
1 707 . 20 1 1 A 63 63 GLY N N 63 111.615 113.523 -1.908 1
1 708 . 20 1 1 A 63 63 GLY H H 63 9.308 8.544 0.764 1
1 709 . 20 1 1 A 63 63 GLY CA C 63 44.971 45.183 -0.212 1
1 710 . 20 1 1 A 63 63 GLY HA2 H 63 4.188 4.015 0.173 1
1 711 . 20 1 1 A 63 63 GLY HA3 H 63 4.188 4.019 0.169 1
1 712 . 20 1 1 A 63 63 GLY C C 63 172.420 174.623 -2.203 1
1 713 . 20 1 1 A 64 64 GLU N N 64 117.287 120.103 -2.816 1
1 714 . 20 1 1 A 64 64 GLU H H 64 7.909 8.078 -0.169 1
1 715 . 20 1 1 A 64 64 GLU CA C 64 53.972 55.449 -1.477 1
1 716 . 20 1 1 A 64 64 GLU HA H 64 4.549 4.761 -0.212 1
1 717 . 20 1 1 A 64 64 GLU CB C 64 32.449 32.017 0.432 1
1 723 . 20 1 1 A 64 64 GLU C C 64 174.611 174.926 -0.315 1
1 724 . 20 1 1 A 65 65 VAL N N 65 118.093 121.053 -2.960 1
1 725 . 20 1 1 A 65 65 VAL H H 65 8.337 8.865 -0.528 1
1 726 . 20 1 1 A 65 65 VAL CA C 65 59.380 60.160 -0.780 1
1 727 . 20 1 1 A 65 65 VAL HA H 65 5.149 4.841 0.308 1
1 728 . 20 1 1 A 65 65 VAL CB C 65 35.892 35.791 0.101 1
1 738 . 20 1 1 A 65 65 VAL C C 65 172.013 173.477 -1.464 1
1 739 . 20 1 1 A 66 66 ALA N N 66 130.790 130.328 0.462 1
1 740 . 20 1 1 A 66 66 ALA H H 66 8.876 8.562 0.314 1
1 741 . 20 1 1 A 66 66 ALA CA C 66 50.170 50.447 -0.277 1
1 742 . 20 1 1 A 66 66 ALA HA H 66 4.879 5.504 -0.625 1
1 743 . 20 1 1 A 66 66 ALA CB C 66 21.291 21.310 -0.019 1
1 747 . 20 1 1 A 66 66 ALA C C 66 175.997 176.236 -0.239 1
1 748 . 20 1 1 A 67 67 VAL N N 67 119.453 121.722 -2.269 1
1 749 . 20 1 1 A 67 67 VAL H H 67 8.615 8.660 -0.045 1
1 750 . 20 1 1 A 67 67 VAL CA C 67 61.078 60.952 0.126 1
1 751 . 20 1 1 A 67 67 VAL HA H 67 5.255 4.882 0.373 1
1 752 . 20 1 1 A 67 67 VAL CB C 67 36.283 34.094 2.189 1
1 762 . 20 1 1 A 67 67 VAL C C 67 176.213 173.830 2.383 1
1 763 . 20 1 1 A 68 68 LEU N N 68 126.404 129.834 -3.430 1
1 764 . 20 1 1 A 68 68 LEU H H 68 9.013 9.064 -0.051 1
1 765 . 20 1 1 A 68 68 LEU CA C 68 53.424 53.372 0.052 1
1 766 . 20 1 1 A 68 68 LEU HA H 68 4.809 5.229 -0.420 1
1 767 . 20 1 1 A 68 68 LEU CB C 68 46.473 45.240 1.233 1
1 780 . 20 1 1 A 68 68 LEU C C 68 174.704 174.317 0.387 1
1 781 . 20 1 1 A 69 69 LYS N N 69 123.462 127.432 -3.970 1
1 782 . 20 1 1 A 69 69 LYS H H 69 8.756 9.009 -0.253 1
1 783 . 20 1 1 A 69 69 LYS CA C 69 55.228 55.164 0.064 1
1 784 . 20 1 1 A 69 69 LYS HA H 69 4.791 5.300 -0.509 1
1 785 . 20 1 1 A 69 69 LYS CB C 69 33.820 33.638 0.182 1
1 797 . 20 1 1 A 69 69 LYS C C 69 177.387 175.352 2.035 1
1 798 . 20 1 1 A 70 70 ARG N N 70 127.852 124.865 2.987 1
1 799 . 20 1 1 A 70 70 ARG H H 70 8.688 8.321 0.367 1
1 800 . 20 1 1 A 70 70 ARG CA C 70 52.929 54.632 -1.703 1
1 801 . 20 1 1 A 70 70 ARG CB C 70 34.028 33.382 0.646 1
1 809 . 20 1 1 A 70 70 ARG C C 70 175.460 175.982 -0.522 1
1 810 . 20 1 1 A 71 71 ASP CA C 71 55.193 54.996 0.197 1
1 811 . 20 1 1 A 71 71 ASP HA H 71 4.268 4.268 0.000 1
1 812 . 20 1 1 A 71 71 ASP CB C 71 40.326 39.562 0.764 1
1 815 . 20 1 1 A 71 71 ASP C C 71 175.970 175.484 0.486 1
1 816 . 20 1 1 A 72 72 GLY N N 72 104.319 104.503 -0.184 1
1 817 . 20 1 1 A 72 72 GLY H H 72 8.642 8.662 -0.020 1
1 818 . 20 1 1 A 72 72 GLY CA C 72 45.692 46.721 -1.029 1
1 819 . 20 1 1 A 72 72 GLY HA2 H 72 4.062 3.819 0.243 1
1 820 . 20 1 1 A 72 72 GLY HA3 H 72 3.516 3.838 -0.322 1
1 821 . 20 1 1 A 72 72 GLY C C 72 172.604 173.347 -0.743 1
1 822 . 20 1 1 A 73 73 ARG N N 73 118.257 114.556 3.701 1
1 823 . 20 1 1 A 73 73 ARG H H 73 7.794 7.280 0.514 1
1 824 . 20 1 1 A 73 73 ARG CA C 73 52.893 54.473 -1.580 1
1 825 . 20 1 1 A 73 73 ARG HA H 73 4.560 4.298 0.262 1
1 826 . 20 1 1 A 73 73 ARG CB C 73 31.831 32.033 -0.202 1
1 837 . 20 1 1 A 73 73 ARG C C 73 173.057 173.376 -0.319 1
1 838 . 20 1 1 A 74 74 TYR N N 74 117.830 118.056 -0.226 1
1 839 . 20 1 1 A 74 74 TYR H H 74 8.366 8.436 -0.070 1
1 840 . 20 1 1 A 74 74 TYR CA C 74 57.987 56.236 1.751 1
1 841 . 20 1 1 A 74 74 TYR HA H 74 5.005 5.245 -0.240 1
1 842 . 20 1 1 A 74 74 TYR CB C 74 40.473 39.236 1.237 1
1 853 . 20 1 1 A 74 74 TYR C C 74 173.530 174.799 -1.269 1
1 854 . 20 1 1 A 75 75 ILE N N 75 120.880 125.329 -4.449 1
1 855 . 20 1 1 A 75 75 ILE H H 75 8.923 8.730 0.193 1
1 856 . 20 1 1 A 75 75 ILE CA C 75 59.632 61.237 -1.605 1
1 857 . 20 1 1 A 75 75 ILE HA H 75 4.398 4.342 0.056 1
1 858 . 20 1 1 A 75 75 ILE CB C 75 37.608 37.729 -0.121 1
1 871 . 20 1 1 A 75 75 ILE C C 75 174.203 175.052 -0.849 1
1 872 . 20 1 1 A 76 76 TYR N N 76 125.586 128.141 -2.555 1
1 873 . 20 1 1 A 76 76 TYR H H 76 9.540 9.424 0.116 1
1 874 . 20 1 1 A 76 76 TYR CA C 76 59.137 56.847 2.290 1
1 875 . 20 1 1 A 76 76 TYR HA H 76 4.630 5.591 -0.961 1
1 876 . 20 1 1 A 76 76 TYR CB C 76 39.909 41.247 -1.338 1
1 887 . 20 1 1 A 76 76 TYR C C 76 174.280 174.939 -0.659 1
1 888 . 20 1 1 A 77 77 TYR N N 77 123.524 120.880 2.644 1
1 889 . 20 1 1 A 77 77 TYR H H 77 9.221 9.013 0.208 1
1 890 . 20 1 1 A 77 77 TYR CA C 77 55.476 56.468 -0.992 1
1 891 . 20 1 1 A 77 77 TYR HA H 77 4.155 5.325 -1.170 1
1 892 . 20 1 1 A 77 77 TYR CB C 77 35.926 39.386 -3.460 1
1 903 . 20 1 1 A 77 77 TYR C C 77 174.236 175.017 -0.781 1
1 904 . 20 1 1 A 78 78 LEU N N 78 123.875 126.130 -2.255 1
1 905 . 20 1 1 A 78 78 LEU H H 78 8.948 8.608 0.340 1
1 906 . 20 1 1 A 78 78 LEU CA C 78 55.635 55.315 0.320 1
1 907 . 20 1 1 A 78 78 LEU HA H 78 4.134 4.489 -0.355 1
1 908 . 20 1 1 A 78 78 LEU CB C 78 40.856 41.483 -0.627 1
1 921 . 20 1 1 A 78 78 LEU C C 78 175.294 176.354 -1.060 1
1 922 . 20 1 1 A 79 79 ILE N N 79 127.986 125.644 2.342 1
1 923 . 20 1 1 A 79 79 ILE H H 79 8.322 9.022 -0.700 1
1 924 . 20 1 1 A 79 79 ILE CA C 79 59.349 60.798 -1.449 1
1 925 . 20 1 1 A 79 79 ILE HA H 79 4.372 4.421 -0.049 1
1 926 . 20 1 1 A 79 79 ILE CB C 79 34.277 38.134 -3.857 1
1 939 . 20 1 1 A 79 79 ILE C C 79 176.505 176.413 0.092 1
1 940 . 20 1 1 A 80 80 THR N N 80 113.978 118.193 -4.215 1
1 941 . 20 1 1 A 80 80 THR H H 80 8.276 8.775 -0.499 1
1 942 . 20 1 1 A 80 80 THR CA C 80 61.646 62.135 -0.489 1
1 943 . 20 1 1 A 80 80 THR HA H 80 4.334 4.596 -0.262 1
1 944 . 20 1 1 A 80 80 THR CB C 80 69.165 70.223 -1.058 1
1 950 . 20 1 1 A 80 80 THR C C 80 172.999 174.350 -1.351 1
1 951 . 20 1 1 A 81 81 LYS N N 81 114.856 119.580 -4.724 1
1 952 . 20 1 1 A 81 81 LYS H H 81 7.512 7.626 -0.114 1
1 953 . 20 1 1 A 81 81 LYS CA C 81 54.894 54.879 0.015 1
1 954 . 20 1 1 A 81 81 LYS HA H 81 4.649 4.872 -0.223 1
1 955 . 20 1 1 A 81 81 LYS CB C 81 34.139 34.859 -0.720 1
1 964 . 20 1 1 A 81 81 LYS C C 81 175.344 176.553 -1.209 1
1 965 . 20 1 1 A 82 82 LYS N N 82 121.209 120.286 0.923 1
1 966 . 20 1 1 A 82 82 LYS H H 82 9.577 8.984 0.593 1
1 967 . 20 1 1 A 82 82 LYS CA C 82 60.198 57.914 2.284 1
1 968 . 20 1 1 A 82 82 LYS HA H 82 3.884 4.277 -0.393 1
1 969 . 20 1 1 A 82 82 LYS CB C 82 33.603 33.732 -0.129 1
1 981 . 20 1 1 A 82 82 LYS C C 82 176.049 176.461 -0.412 1
1 982 . 20 1 1 A 83 83 ARG N N 83 112.456 114.548 -2.092 1
1 983 . 20 1 1 A 83 83 ARG H H 83 6.717 7.585 -0.868 1
1 984 . 20 1 1 A 83 83 ARG CA C 83 52.451 54.670 -2.219 1
1 985 . 20 1 1 A 83 83 ARG HA H 83 4.691 4.601 0.090 1
1 986 . 20 1 1 A 83 83 ARG CB C 83 32.857 32.780 0.077 1
1 995 . 20 1 1 A 83 83 ARG C C 83 177.299 176.116 1.183 1
1 996 . 20 1 1 A 84 84 ALA N N 84 124.857 124.595 0.262 1
1 997 . 20 1 1 A 84 84 ALA H H 84 9.290 8.861 0.429 1
1 998 . 20 1 1 A 84 84 ALA CA C 84 56.005 55.696 0.309 1
1 999 . 20 1 1 A 84 84 ALA HA H 84 3.895 4.045 -0.150 1
1 1000 . 20 1 1 A 84 84 ALA CB C 84 19.175 18.267 0.908 1
1 1004 . 20 1 1 A 84 84 ALA C C 84 178.350 179.629 -1.279 1
1 1005 . 20 1 1 A 85 85 SER CA C 85 58.631 62.136 -3.505 1
1 1006 . 20 1 1 A 85 85 SER HA H 85 4.338 4.127 0.211 1
1 1007 . 20 1 1 A 85 85 SER CB C 85 63.277 62.862 0.415 1
1 1010 . 20 1 1 A 85 85 SER C C 85 175.469 175.234 0.235 1
1 1011 . 20 1 1 A 86 86 HIS N N 86 121.978 116.887 5.091 1
1 1012 . 20 1 1 A 86 86 HIS H H 86 7.560 7.583 -0.023 1
1 1013 . 20 1 1 A 86 86 HIS CA C 86 54.468 55.193 -0.725 1
1 1014 . 20 1 1 A 86 86 HIS HA H 86 4.766 4.725 0.041 1
1 1015 . 20 1 1 A 86 86 HIS CB C 86 33.069 30.346 2.723 1
1 1022 . 20 1 1 A 86 86 HIS C C 86 174.466 174.518 -0.052 1
1 1023 . 20 1 1 A 87 87 LYS N N 87 122.014 124.221 -2.207 1
1 1024 . 20 1 1 A 87 87 LYS H H 87 8.693 8.657 0.036 1
1 1025 . 20 1 1 A 87 87 LYS CA C 87 53.283 54.433 -1.150 1
1 1026 . 20 1 1 A 87 87 LYS HA H 87 4.792 4.504 0.288 1
1 1027 . 20 1 1 A 87 87 LYS CB C 87 32.803 31.817 0.986 1
1 1037 . 20 1 1 A 87 87 LYS C C 87 175.072 174.647 0.425 1
1 1038 . 20 1 1 A 88 88 PRO CA C 88 62.515 62.642 -0.127 1
1 1039 . 20 1 1 A 88 88 PRO HA H 88 4.796 4.624 0.172 1
1 1040 . 20 1 1 A 88 88 PRO CB C 88 32.687 32.748 -0.061 1
1 1049 . 20 1 1 A 88 88 PRO C C 88 175.319 176.295 -0.976 1
1 1050 . 20 1 1 A 89 89 THR N N 89 107.501 112.457 -4.956 1
1 1051 . 20 1 1 A 89 89 THR H H 89 7.933 8.215 -0.282 1
1 1052 . 20 1 1 A 89 89 THR CA C 89 58.518 59.824 -1.306 1
1 1053 . 20 1 1 A 89 89 THR HA H 89 4.758 4.537 0.221 1
1 1054 . 20 1 1 A 89 89 THR CB C 89 70.861 71.164 -0.303 1
1 1060 . 20 1 1 A 89 89 THR C C 89 175.662 175.795 -0.133 1
1 1061 . 20 1 1 A 90 90 TYR N N 90 120.845 124.222 -3.377 1
1 1062 . 20 1 1 A 90 90 TYR H H 90 8.751 8.976 -0.225 1
1 1063 . 20 1 1 A 90 90 TYR CA C 90 63.195 60.935 2.260 1
1 1064 . 20 1 1 A 90 90 TYR HA H 90 4.064 4.182 -0.118 1
1 1065 . 20 1 1 A 90 90 TYR CB C 90 37.372 37.860 -0.488 1
1 1076 . 20 1 1 A 90 90 TYR C C 90 178.063 178.105 -0.042 1
1 1077 . 20 1 1 A 91 91 GLU N N 91 118.210 120.091 -1.881 1
1 1078 . 20 1 1 A 91 91 GLU H H 91 8.857 8.282 0.575 1
1 1079 . 20 1 1 A 91 91 GLU CA C 91 60.312 59.762 0.550 1
1 1080 . 20 1 1 A 91 91 GLU HA H 91 4.114 4.034 0.080 1
1 1081 . 20 1 1 A 91 91 GLU CB C 91 29.276 29.237 0.039 1
1 1087 . 20 1 1 A 91 91 GLU C C 91 178.970 179.281 -0.311 1
1 1088 . 20 1 1 A 92 92 ASN N N 92 117.220 118.762 -1.542 1
1 1089 . 20 1 1 A 92 92 ASN H H 92 7.894 8.096 -0.202 1
1 1090 . 20 1 1 A 92 92 ASN CA C 92 55.334 56.401 -1.067 1
1 1091 . 20 1 1 A 92 92 ASN HA H 92 4.696 4.539 0.157 1
1 1092 . 20 1 1 A 92 92 ASN CB C 92 37.704 38.383 -0.679 1
1 1098 . 20 1 1 A 92 92 ASN C C 92 178.155 177.688 0.467 1
1 1099 . 20 1 1 A 93 93 LEU N N 93 121.622 121.314 0.308 1
1 1100 . 20 1 1 A 93 93 LEU H H 93 8.038 8.153 -0.115 1
1 1101 . 20 1 1 A 93 93 LEU CA C 93 58.495 59.006 -0.511 1
1 1102 . 20 1 1 A 93 93 LEU HA H 93 4.092 4.006 0.086 1
1 1103 . 20 1 1 A 93 93 LEU CB C 93 41.383 41.919 -0.536 1
1 1116 . 20 1 1 A 93 93 LEU C C 93 177.808 178.592 -0.784 1
1 1117 . 20 1 1 A 94 94 GLN N N 94 120.352 118.243 2.109 1
1 1118 . 20 1 1 A 94 94 GLN H H 94 8.792 8.069 0.723 1
1 1119 . 20 1 1 A 94 94 GLN CA C 94 61.099 59.311 1.788 1
1 1120 . 20 1 1 A 94 94 GLN HA H 94 3.721 3.987 -0.266 1
1 1121 . 20 1 1 A 94 94 GLN CB C 94 27.560 28.788 -1.228 1
1 1130 . 20 1 1 A 94 94 GLN C C 94 178.042 178.332 -0.290 1
1 1131 . 20 1 1 A 95 95 LYS N N 95 117.824 118.632 -0.808 1
1 1132 . 20 1 1 A 95 95 LYS H H 95 7.803 7.642 0.161 1
1 1133 . 20 1 1 A 95 95 LYS CA C 95 60.222 59.377 0.845 1
1 1134 . 20 1 1 A 95 95 LYS HA H 95 4.012 3.978 0.034 1
1 1135 . 20 1 1 A 95 95 LYS CB C 95 33.168 32.283 0.885 1
1 1147 . 20 1 1 A 95 95 LYS C C 95 179.868 179.014 0.854 1
1 1148 . 20 1 1 A 96 96 SER N N 96 118.301 114.421 3.880 1
1 1149 . 20 1 1 A 96 96 SER H H 96 8.251 8.301 -0.050 1
1 1150 . 20 1 1 A 96 96 SER CA C 96 63.668 61.884 1.784 1
1 1151 . 20 1 1 A 96 96 SER HA H 96 3.710 4.183 -0.473 1
1 1152 . 20 1 1 A 96 96 SER CB C 96 62.882 62.563 0.319 1
1 1155 . 20 1 1 A 96 96 SER C C 96 176.400 177.518 -1.118 1
1 1156 . 20 1 1 A 97 97 LEU N N 97 122.701 122.555 0.146 1
1 1157 . 20 1 1 A 97 97 LEU H H 97 8.467 8.187 0.280 1
1 1158 . 20 1 1 A 97 97 LEU CA C 97 58.323 57.942 0.381 1
1 1159 . 20 1 1 A 97 97 LEU HA H 97 3.861 4.059 -0.198 1
1 1160 . 20 1 1 A 97 97 LEU CB C 97 42.995 41.350 1.645 1
1 1173 . 20 1 1 A 97 97 LEU C C 97 178.941 179.496 -0.555 1
1 1174 . 20 1 1 A 98 98 GLU N N 98 119.918 119.315 0.603 1
1 1175 . 20 1 1 A 98 98 GLU H H 98 8.410 8.582 -0.172 1
1 1176 . 20 1 1 A 98 98 GLU CA C 98 59.561 58.943 0.618 1
1 1177 . 20 1 1 A 98 98 GLU HA H 98 3.622 3.921 -0.299 1
1 1178 . 20 1 1 A 98 98 GLU CB C 98 29.142 29.602 -0.460 1
1 1184 . 20 1 1 A 98 98 GLU C C 98 179.137 179.142 -0.005 1
1 1185 . 20 1 1 A 99 99 ALA N N 99 124.193 122.546 1.647 1
1 1186 . 20 1 1 A 99 99 ALA H H 99 8.197 8.357 -0.160 1
1 1187 . 20 1 1 A 99 99 ALA CA C 99 55.016 55.084 -0.068 1
1 1188 . 20 1 1 A 99 99 ALA HA H 99 4.247 4.096 0.151 1
1 1189 . 20 1 1 A 99 99 ALA CB C 99 17.815 18.154 -0.339 1
1 1193 . 20 1 1 A 99 99 ALA C C 99 181.133 179.461 1.672 1
1 1194 . 20 1 1 A 100 100 MET N N 100 122.009 118.509 3.500 1
1 1195 . 20 1 1 A 100 100 MET H H 100 8.482 8.157 0.325 1
1 1196 . 20 1 1 A 100 100 MET CA C 100 59.826 58.346 1.480 1
1 1197 . 20 1 1 A 100 100 MET HA H 100 3.714 4.182 -0.468 1
1 1198 . 20 1 1 A 100 100 MET CB C 100 32.944 32.448 0.496 1
1 1208 . 20 1 1 A 100 100 MET C C 100 176.658 177.961 -1.303 1
1 1209 . 20 1 1 A 101 101 LYS N N 101 120.991 118.838 2.153 1
1 1210 . 20 1 1 A 101 101 LYS H H 101 8.721 7.704 1.017 1
1 1211 . 20 1 1 A 101 101 LYS CA C 101 60.563 58.857 1.706 1
1 1212 . 20 1 1 A 101 101 LYS HA H 101 3.614 4.058 -0.444 1
1 1213 . 20 1 1 A 101 101 LYS CB C 101 30.759 32.001 -1.242 1
1 1225 . 20 1 1 A 101 101 LYS C C 101 177.419 178.340 -0.921 1
1 1226 . 20 1 1 A 102 102 SER N N 102 111.833 114.660 -2.827 1
1 1227 . 20 1 1 A 102 102 SER H H 102 8.005 7.640 0.365 1
1 1228 . 20 1 1 A 102 102 SER CA C 102 61.993 61.560 0.433 1
1 1229 . 20 1 1 A 102 102 SER HA H 102 4.082 4.114 -0.032 1
1 1230 . 20 1 1 A 102 102 SER CB C 102 62.863 63.099 -0.236 1
1 1233 . 20 1 1 A 102 102 SER C C 102 176.601 176.903 -0.302 1
1 1234 . 20 1 1 A 103 103 HIS N N 103 121.793 120.916 0.877 1
1 1235 . 20 1 1 A 103 103 HIS H H 103 7.605 8.331 -0.726 1
1 1236 . 20 1 1 A 103 103 HIS CA C 103 62.090 59.629 2.461 1
1 1237 . 20 1 1 A 103 103 HIS HA H 103 4.000 4.306 -0.306 1
1 1238 . 20 1 1 A 103 103 HIS CB C 103 30.652 29.956 0.696 1
1 1245 . 20 1 1 A 103 103 HIS C C 103 179.129 176.587 2.542 1
1 1246 . 20 1 1 A 104 104 CYS N N 104 119.421 116.638 2.783 1
1 1247 . 20 1 1 A 104 104 CYS H H 104 9.261 8.063 1.198 1
1 1248 . 20 1 1 A 104 104 CYS CA C 104 63.841 63.780 0.061 1
1 1249 . 20 1 1 A 104 104 CYS HA H 104 4.105 4.291 -0.186 1
1 1250 . 20 1 1 A 104 104 CYS CB C 104 27.916 27.264 0.652 1
1 1253 . 20 1 1 A 104 104 CYS C C 104 178.176 177.520 0.656 1
1 1254 . 20 1 1 A 105 105 LEU N N 105 117.129 120.930 -3.801 1
1 1255 . 20 1 1 A 105 105 LEU H H 105 8.331 7.874 0.457 1
1 1256 . 20 1 1 A 105 105 LEU CA C 105 57.262 58.110 -0.848 1
1 1257 . 20 1 1 A 105 105 LEU HA H 105 4.245 3.966 0.279 1
1 1258 . 20 1 1 A 105 105 LEU CB C 105 42.030 41.839 0.191 1
1 1271 . 20 1 1 A 105 105 LEU C C 105 180.635 179.071 1.564 1
1 1272 . 20 1 1 A 106 106 LYS N N 106 118.583 116.890 1.693 1
1 1273 . 20 1 1 A 106 106 LYS H H 106 7.638 8.073 -0.435 1
1 1274 . 20 1 1 A 106 106 LYS CA C 106 58.075 60.223 -2.148 1
1 1275 . 20 1 1 A 106 106 LYS HA H 106 4.140 3.880 0.260 1
1 1276 . 20 1 1 A 106 106 LYS CB C 106 33.191 32.290 0.901 1
1 1288 . 20 1 1 A 106 106 LYS C C 106 177.466 179.171 -1.705 1
1 1289 . 20 1 1 A 107 107 ASN N N 107 113.320 114.931 -1.611 1
1 1290 . 20 1 1 A 107 107 ASN H H 107 7.606 8.055 -0.449 1
1 1291 . 20 1 1 A 107 107 ASN CA C 107 53.813 54.965 -1.152 1
1 1292 . 20 1 1 A 107 107 ASN HA H 107 4.841 4.488 0.353 1
1 1293 . 20 1 1 A 107 107 ASN CB C 107 39.785 38.225 1.560 1
1 1299 . 20 1 1 A 107 107 ASN C C 107 174.443 176.100 -1.657 1
1 1300 . 20 1 1 A 108 108 GLY N N 108 109.386 104.236 5.150 1
1 1301 . 20 1 1 A 108 108 GLY H H 108 7.667 7.777 -0.110 1
1 1302 . 20 1 1 A 108 108 GLY CA C 108 47.252 45.157 2.095 1
1 1303 . 20 1 1 A 108 108 GLY HA2 H 108 4.023 4.154 -0.131 1
1 1304 . 20 1 1 A 108 108 GLY HA3 H 108 4.023 4.167 -0.144 1
1 1305 . 20 1 1 A 108 108 GLY C C 108 174.436 174.386 0.050 1
1 1306 . 20 1 1 A 109 109 VAL N N 109 122.758 120.475 2.283 1
1 1307 . 20 1 1 A 109 109 VAL H H 109 8.480 8.408 0.072 1
1 1308 . 20 1 1 A 109 109 VAL CA C 109 63.788 62.002 1.786 1
1 1309 . 20 1 1 A 109 109 VAL HA H 109 4.094 4.426 -0.332 1
1 1310 . 20 1 1 A 109 109 VAL CB C 109 32.931 33.536 -0.605 1
1 1320 . 20 1 1 A 109 109 VAL C C 109 176.089 176.135 -0.046 1
1 1321 . 20 1 1 A 110 110 THR N N 110 115.431 116.710 -1.279 1
1 1322 . 20 1 1 A 110 110 THR H H 110 8.995 8.858 0.137 1
1 1323 . 20 1 1 A 110 110 THR CA C 110 62.045 60.996 1.049 1
1 1324 . 20 1 1 A 110 110 THR HA H 110 4.515 4.762 -0.247 1
1 1325 . 20 1 1 A 110 110 THR CB C 110 70.758 70.423 0.335 1
1 1331 . 20 1 1 A 110 110 THR C C 110 173.700 173.712 -0.012 1
1 1332 . 20 1 1 A 111 111 ASP N N 111 123.757 120.589 3.168 1
1 1333 . 20 1 1 A 111 111 ASP H H 111 8.123 7.925 0.198 1
1 1334 . 20 1 1 A 111 111 ASP CA C 111 54.747 53.297 1.450 1
1 1335 . 20 1 1 A 111 111 ASP HA H 111 5.527 5.345 0.182 1
1 1336 . 20 1 1 A 111 111 ASP CB C 111 43.928 43.946 -0.018 1
1 1339 . 20 1 1 A 111 111 ASP C C 111 172.807 174.618 -1.811 1
1 1340 . 20 1 1 A 112 112 LEU N N 112 123.145 125.368 -2.223 1
1 1341 . 20 1 1 A 112 112 LEU H H 112 8.671 8.957 -0.286 1
1 1342 . 20 1 1 A 112 112 LEU CA C 112 52.953 53.839 -0.886 1
1 1343 . 20 1 1 A 112 112 LEU HA H 112 5.213 5.099 0.114 1
1 1344 . 20 1 1 A 112 112 LEU CB C 112 47.875 46.560 1.315 1
1 1357 . 20 1 1 A 112 112 LEU C C 112 176.803 174.004 2.799 1
1 1358 . 20 1 1 A 113 113 SER N N 113 122.973 121.388 1.585 1
1 1359 . 20 1 1 A 113 113 SER H H 113 9.473 8.416 1.057 1
1 1360 . 20 1 1 A 113 113 SER CA C 113 59.207 57.552 1.655 1
1 1361 . 20 1 1 A 113 113 SER HA H 113 6.070 5.420 0.650 1
1 1362 . 20 1 1 A 113 113 SER CB C 113 67.023 65.499 1.524 1
1 1365 . 20 1 1 A 113 113 SER C C 113 172.066 173.598 -1.532 1
1 1366 . 20 1 1 A 114 114 MET N N 114 118.476 123.360 -4.884 1
1 1367 . 20 1 1 A 114 114 MET H H 114 9.080 8.594 0.486 1
1 1368 . 20 1 1 A 114 114 MET CA C 114 54.007 52.568 1.439 1
1 1369 . 20 1 1 A 114 114 MET HA H 114 5.435 5.347 0.088 1
1 1370 . 20 1 1 A 114 114 MET CB C 114 34.867 35.149 -0.282 1
1 1380 . 20 1 1 A 114 114 MET C C 114 172.934 174.649 -1.715 1
1 1381 . 20 1 1 A 115 115 PRO CA C 115 62.262 62.320 -0.058 1
1 1382 . 20 1 1 A 115 115 PRO HA H 115 5.593 4.702 0.891 1
1 1383 . 20 1 1 A 115 115 PRO CB C 115 32.748 33.224 -0.476 1
1 1392 . 20 1 1 A 115 115 PRO C C 115 175.547 176.206 -0.659 1
1 1393 . 20 1 1 A 116 116 ARG N N 116 116.821 120.785 -3.964 1
1 1394 . 20 1 1 A 116 116 ARG H H 116 8.348 8.500 -0.152 1
1 1395 . 20 1 1 A 116 116 ARG CA C 116 55.785 56.199 -0.414 1
1 1396 . 20 1 1 A 116 116 ARG HA H 116 3.896 4.301 -0.405 1
1 1397 . 20 1 1 A 116 116 ARG CB C 116 27.344 30.388 -3.044 1
1 1406 . 20 1 1 A 116 116 ARG C C 116 176.796 176.019 0.777 1
1 1407 . 20 1 1 A 117 117 ILE N N 117 122.887 120.369 2.518 1
1 1408 . 20 1 1 A 117 117 ILE H H 117 7.989 8.739 -0.750 1
1 1409 . 20 1 1 A 117 117 ILE CA C 117 63.148 59.534 3.614 1
1 1410 . 20 1 1 A 117 117 ILE HA H 117 4.028 5.122 -1.094 1
1 1411 . 20 1 1 A 117 117 ILE CB C 117 40.010 40.349 -0.339 1
1 1424 . 20 1 1 A 117 117 ILE C C 117 174.324 175.749 -1.425 1
1 1425 . 20 1 1 A 118 118 GLY N N 118 107.320 113.715 -6.395 1
1 1426 . 20 1 1 A 118 118 GLY H H 118 8.662 8.541 0.121 1
1 1427 . 20 1 1 A 118 118 GLY CA C 118 45.752 45.399 0.353 1
1 1428 . 20 1 1 A 118 118 GLY HA2 H 118 3.693 4.213 -0.520 1
1 1429 . 20 1 1 A 118 118 GLY HA3 H 118 4.226 4.300 -0.074 1
1 1430 . 20 1 1 A 118 118 GLY C C 118 172.861 173.608 -0.747 1
1 1431 . 20 1 1 A 119 119 CYS N N 119 115.336 118.207 -2.871 1
1 1432 . 20 1 1 A 119 119 CYS H H 119 7.445 7.837 -0.392 1
1 1433 . 20 1 1 A 119 119 CYS CA C 119 58.753 58.117 0.636 1
1 1434 . 20 1 1 A 119 119 CYS HA H 119 4.831 4.889 -0.058 1
1 1435 . 20 1 1 A 119 119 CYS CB C 119 28.840 31.156 -2.316 1
1 1438 . 20 1 1 A 121 121 LEU CA C 121 57.692 57.621 0.071 1
1 1439 . 20 1 1 A 121 121 LEU HA H 121 4.152 4.021 0.131 1
1 1440 . 20 1 1 A 121 121 LEU CB C 121 41.644 41.842 -0.198 1
1 1453 . 20 1 1 A 123 123 ARG N N 123 107.909 116.104 -8.195 1
1 1454 . 20 1 1 A 123 123 ARG H H 123 7.536 7.893 -0.357 1
1 1455 . 20 1 1 A 123 123 ARG CA C 123 57.775 57.292 0.483 1
1 1456 . 20 1 1 A 123 123 ARG HA H 123 3.989 3.884 0.105 1
1 1457 . 20 1 1 A 123 123 ARG CB C 123 28.219 26.857 1.362 1
1 1466 . 20 1 1 A 123 123 ARG C C 123 176.088 174.763 1.325 1
1 1467 . 20 1 1 A 124 124 LEU N N 124 118.876 118.908 -0.032 1
1 1468 . 20 1 1 A 124 124 LEU H H 124 8.401 7.829 0.572 1
1 1469 . 20 1 1 A 124 124 LEU CA C 124 54.573 53.365 1.208 1
1 1470 . 20 1 1 A 124 124 LEU HA H 124 4.533 4.729 -0.196 1
1 1471 . 20 1 1 A 124 124 LEU CB C 124 39.785 43.806 -4.021 1
1 1484 . 20 1 1 A 124 124 LEU C C 124 175.551 175.921 -0.370 1
1 1485 . 20 1 1 A 125 125 GLN N N 125 116.713 119.398 -2.685 1
1 1486 . 20 1 1 A 125 125 GLN H H 125 7.779 8.773 -0.994 1
1 1487 . 20 1 1 A 125 125 GLN CA C 125 54.609 54.479 0.130 1
1 1488 . 20 1 1 A 125 125 GLN HA H 125 4.794 4.920 -0.126 1
1 1489 . 20 1 1 A 125 125 GLN CB C 125 30.327 30.872 -0.545 1
1 1498 . 20 1 1 A 125 125 GLN C C 125 177.722 176.140 1.582 1
1 1499 . 20 1 1 A 126 126 TRP N N 126 128.887 127.021 1.866 1
1 1500 . 20 1 1 A 126 126 TRP H H 126 9.755 9.133 0.622 1
1 1501 . 20 1 1 A 126 126 TRP CA C 126 59.962 61.145 -1.183 1
1 1502 . 20 1 1 A 126 126 TRP HA H 126 4.545 4.289 0.256 1
1 1503 . 20 1 1 A 126 126 TRP CB C 126 30.009 30.112 -0.103 1
1 1518 . 20 1 1 A 126 126 TRP C C 126 177.057 178.199 -1.142 1
1 1519 . 20 1 1 A 127 127 GLU N N 127 119.568 118.698 0.870 1
1 1520 . 20 1 1 A 127 127 GLU H H 127 9.946 8.450 1.496 1
1 1521 . 20 1 1 A 127 127 GLU CA C 127 60.623 59.955 0.668 1
1 1522 . 20 1 1 A 127 127 GLU HA H 127 3.780 3.911 -0.131 1
1 1523 . 20 1 1 A 127 127 GLU CB C 127 28.594 29.134 -0.540 1
1 1529 . 20 1 1 A 127 127 GLU C C 127 177.905 179.116 -1.211 1
1 1530 . 20 1 1 A 128 128 ASN N N 128 115.229 118.646 -3.417 1
1 1531 . 20 1 1 A 128 128 ASN H H 128 7.159 7.946 -0.787 1
1 1532 . 20 1 1 A 128 128 ASN CA C 128 55.370 55.898 -0.528 1
1 1533 . 20 1 1 A 128 128 ASN HA H 128 4.446 4.316 0.130 1
1 1534 . 20 1 1 A 128 128 ASN CB C 128 38.522 37.935 0.587 1
1 1540 . 20 1 1 A 128 128 ASN C C 128 177.374 177.744 -0.370 1
1 1541 . 20 1 1 A 129 129 VAL N N 129 122.487 119.818 2.669 1
1 1542 . 20 1 1 A 129 129 VAL H H 129 8.033 7.675 0.358 1
1 1543 . 20 1 1 A 129 129 VAL CA C 129 67.289 66.702 0.587 1
1 1544 . 20 1 1 A 129 129 VAL HA H 129 3.489 3.592 -0.103 1
1 1545 . 20 1 1 A 129 129 VAL CB C 129 31.824 31.515 0.309 1
1 1555 . 20 1 1 A 129 129 VAL C C 129 177.209 177.582 -0.373 1
1 1556 . 20 1 1 A 130 130 SER N N 130 115.189 114.037 1.152 1
1 1557 . 20 1 1 A 130 130 SER H H 130 8.550 8.083 0.467 1
1 1558 . 20 1 1 A 130 130 SER CA C 130 61.477 60.796 0.681 1
1 1559 . 20 1 1 A 130 130 SER HA H 130 3.151 3.651 -0.500 1
1 1560 . 20 1 1 A 130 130 SER CB C 130 61.348 61.898 -0.550 1
1 1563 . 20 1 1 A 130 130 SER C C 130 175.971 176.567 -0.596 1
1 1564 . 20 1 1 A 131 131 ALA N N 131 123.596 123.666 -0.070 1
1 1565 . 20 1 1 A 131 131 ALA H H 131 6.551 7.560 -1.009 1
1 1566 . 20 1 1 A 131 131 ALA CA C 131 54.947 55.109 -0.162 1
1 1567 . 20 1 1 A 131 131 ALA HA H 131 4.079 3.922 0.157 1
1 1568 . 20 1 1 A 131 131 ALA CB C 131 18.023 17.923 0.100 1
1 1572 . 20 1 1 A 131 131 ALA C C 131 179.947 180.085 -0.138 1
1 1573 . 20 1 1 A 132 132 MET N N 132 119.410 116.455 2.955 1
1 1574 . 20 1 1 A 132 132 MET H H 132 7.442 8.103 -0.661 1
1 1575 . 20 1 1 A 132 132 MET CA C 132 58.917 58.621 0.296 1
1 1576 . 20 1 1 A 132 132 MET HA H 132 4.118 4.148 -0.030 1
1 1577 . 20 1 1 A 132 132 MET CB C 132 33.984 32.544 1.440 1
1 1587 . 20 1 1 A 132 132 MET C C 132 178.019 179.009 -0.990 1
1 1588 . 20 1 1 A 133 133 ILE N N 133 120.265 119.500 0.765 1
1 1589 . 20 1 1 A 133 133 ILE H H 133 8.554 7.901 0.653 1
1 1590 . 20 1 1 A 133 133 ILE CA C 133 66.859 65.222 1.637 1
1 1591 . 20 1 1 A 133 133 ILE HA H 133 3.470 3.829 -0.359 1
1 1592 . 20 1 1 A 133 133 ILE CB C 133 38.240 36.871 1.369 1
1 1605 . 20 1 1 A 133 133 ILE C C 133 177.949 178.641 -0.692 1
1 1606 . 20 1 1 A 134 134 GLU N N 134 117.011 121.095 -4.084 1
1 1607 . 20 1 1 A 134 134 GLU H H 134 8.106 7.974 0.132 1
1 1608 . 20 1 1 A 134 134 GLU CA C 134 59.844 59.623 0.221 1
1 1609 . 20 1 1 A 134 134 GLU HA H 134 3.919 4.041 -0.122 1
1 1610 . 20 1 1 A 134 134 GLU CB C 134 29.024 29.247 -0.223 1
1 1616 . 20 1 1 A 134 134 GLU C C 134 178.982 179.225 -0.243 1
1 1617 . 20 1 1 A 135 135 GLU N N 135 118.619 118.915 -0.296 1
1 1618 . 20 1 1 A 135 135 GLU H H 135 7.848 8.334 -0.486 1
1 1619 . 20 1 1 A 135 135 GLU CA C 135 59.438 59.307 0.131 1
1 1620 . 20 1 1 A 135 135 GLU HA H 135 4.090 4.085 0.005 1
1 1621 . 20 1 1 A 135 135 GLU CB C 135 29.948 29.108 0.840 1
1 1627 . 20 1 1 A 135 135 GLU C C 135 179.547 179.148 0.399 1
1 1628 . 20 1 1 A 136 136 VAL N N 136 119.915 121.495 -1.580 1
1 1629 . 20 1 1 A 136 136 VAL H H 136 8.793 8.150 0.643 1
1 1630 . 20 1 1 A 136 136 VAL CA C 136 66.122 66.452 -0.330 1
1 1631 . 20 1 1 A 136 136 VAL HA H 136 3.578 3.507 0.071 1
1 1632 . 20 1 1 A 136 136 VAL CB C 136 31.990 31.762 0.228 1
1 1642 . 20 1 1 A 136 136 VAL C C 136 177.646 177.650 -0.004 1
1 1643 . 20 1 1 A 137 137 PHE N N 137 111.913 117.427 -5.514 1
1 1644 . 20 1 1 A 137 137 PHE H H 137 8.009 8.015 -0.006 1
1 1645 . 20 1 1 A 137 137 PHE CA C 137 59.545 59.344 0.201 1
1 1646 . 20 1 1 A 137 137 PHE HA H 137 4.197 4.458 -0.261 1
1 1647 . 20 1 1 A 137 137 PHE CB C 137 38.105 38.387 -0.282 1
1 1660 . 20 1 1 A 138 138 GLU N N 138 123.997 121.937 2.060 1
1 1661 . 20 1 1 A 138 138 GLU H H 138 7.268 8.212 -0.944 1
1 1662 . 20 1 1 A 138 138 GLU CA C 138 59.222 59.452 -0.230 1
1 1663 . 20 1 1 A 138 138 GLU HA H 138 4.161 4.022 0.139 1
1 1664 . 20 1 1 A 138 138 GLU CB C 138 29.644 29.468 0.176 1
1 1670 . 20 1 1 A 139 139 ALA N N 139 121.713 119.054 2.659 1
1 1671 . 20 1 1 A 139 139 ALA H H 139 8.830 7.812 1.018 1
1 1672 . 20 1 1 A 139 139 ALA CA C 139 52.894 51.290 1.604 1
1 1673 . 20 1 1 A 139 139 ALA HA H 139 4.334 4.465 -0.131 1
1 1674 . 20 1 1 A 139 139 ALA CB C 139 17.362 18.943 -1.581 1
1 1678 . 20 1 1 A 139 139 ALA C C 139 176.943 176.122 0.821 1
1 1679 . 20 1 1 A 140 140 THR N N 140 107.901 108.988 -1.087 1
1 1680 . 20 1 1 A 140 140 THR H H 140 7.809 7.709 0.100 1
1 1681 . 20 1 1 A 140 140 THR CA C 140 61.013 60.069 0.944 1
1 1682 . 20 1 1 A 140 140 THR HA H 140 4.164 4.926 -0.762 1
1 1683 . 20 1 1 A 140 140 THR CB C 140 72.698 72.709 -0.011 1
1 1689 . 20 1 1 A 140 140 THR C C 140 174.222 173.507 0.715 1
1 1690 . 20 1 1 A 141 141 ASP N N 141 120.212 117.779 2.433 1
1 1691 . 20 1 1 A 141 141 ASP H H 141 8.959 8.657 0.302 1
1 1692 . 20 1 1 A 141 141 ASP CA C 141 53.333 53.584 -0.251 1
1 1693 . 20 1 1 A 141 141 ASP HA H 141 4.991 5.035 -0.044 1
1 1694 . 20 1 1 A 141 141 ASP CB C 141 40.660 41.172 -0.512 1
1 1697 . 20 1 1 A 141 141 ASP C C 141 175.403 174.589 0.814 1
1 1698 . 20 1 1 A 142 142 ILE N N 142 120.815 121.509 -0.694 1
1 1699 . 20 1 1 A 142 142 ILE H H 142 7.444 7.608 -0.164 1
1 1700 . 20 1 1 A 142 142 ILE CA C 142 62.338 60.312 2.026 1
1 1701 . 20 1 1 A 142 142 ILE HA H 142 4.131 4.534 -0.403 1
1 1702 . 20 1 1 A 142 142 ILE CB C 142 38.703 39.572 -0.869 1
1 1715 . 20 1 1 A 142 142 ILE C C 142 175.399 175.007 0.392 1
1 1716 . 20 1 1 A 143 143 LYS N N 143 129.106 127.007 2.099 1
1 1717 . 20 1 1 A 143 143 LYS H H 143 8.588 9.161 -0.573 1
1 1718 . 20 1 1 A 143 143 LYS CA C 143 55.725 56.064 -0.339 1
1 1719 . 20 1 1 A 143 143 LYS HA H 143 4.444 4.611 -0.167 1
1 1720 . 20 1 1 A 143 143 LYS CB C 143 33.768 33.535 0.233 1
1 1732 . 20 1 1 A 143 143 LYS C C 143 174.820 175.907 -1.087 1
1 1733 . 20 1 1 A 144 144 ILE N N 144 122.496 123.486 -0.990 1
1 1734 . 20 1 1 A 144 144 ILE H H 144 7.884 8.608 -0.724 1
1 1735 . 20 1 1 A 144 144 ILE CA C 144 59.861 59.691 0.170 1
1 1736 . 20 1 1 A 144 144 ILE HA H 144 4.937 5.258 -0.321 1
1 1737 . 20 1 1 A 144 144 ILE CB C 144 40.518 41.763 -1.245 1
1 1750 . 20 1 1 A 144 144 ILE C C 144 175.232 174.987 0.245 1
1 1751 . 20 1 1 A 145 145 THR N N 145 126.667 122.697 3.970 1
1 1752 . 20 1 1 A 145 145 THR H H 145 9.100 8.745 0.355 1
1 1753 . 20 1 1 A 145 145 THR CA C 145 61.374 61.713 -0.339 1
1 1754 . 20 1 1 A 145 145 THR HA H 145 4.992 4.904 0.088 1
1 1755 . 20 1 1 A 145 145 THR CB C 145 68.907 71.205 -2.298 1
1 1761 . 20 1 1 A 145 145 THR C C 145 173.158 173.322 -0.164 1
1 1762 . 20 1 1 A 146 146 VAL N N 146 127.717 127.895 -0.178 1
1 1763 . 20 1 1 A 146 146 VAL H H 146 8.818 8.775 0.043 1
1 1764 . 20 1 1 A 146 146 VAL CA C 146 59.930 62.290 -2.360 1
1 1765 . 20 1 1 A 146 146 VAL HA H 146 5.053 4.918 0.135 1
1 1766 . 20 1 1 A 146 146 VAL CB C 146 32.906 32.128 0.778 1
1 1776 . 20 1 1 A 146 146 VAL C C 146 175.653 175.528 0.125 1
1 1777 . 20 1 1 A 147 147 TYR N N 147 129.304 127.594 1.710 1
1 1778 . 20 1 1 A 147 147 TYR H H 147 8.926 9.226 -0.300 1
1 1779 . 20 1 1 A 147 147 TYR CA C 147 57.290 57.205 0.085 1
1 1780 . 20 1 1 A 147 147 TYR HA H 147 5.283 5.216 0.067 1
1 1781 . 20 1 1 A 147 147 TYR CB C 147 40.422 39.895 0.527 1
1 1792 . 20 1 1 A 147 147 TYR C C 147 177.250 175.446 1.804 1
1 1793 . 20 1 1 A 148 148 THR N N 148 116.883 114.314 2.569 1
1 1794 . 20 1 1 A 148 148 THR H H 148 8.607 9.427 -0.820 1
1 1795 . 20 1 1 A 148 148 THR CA C 148 61.560 60.543 1.017 1
1 1796 . 20 1 1 A 148 148 THR HA H 148 4.431 5.272 -0.841 1
1 1797 . 20 1 1 A 148 148 THR CB C 148 70.966 70.729 0.237 1
1 1803 . 20 1 1 A 148 148 THR C C 148 172.797 173.988 -1.191 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 137 1.190 1
2 1 1 1 "RMS(OBS, PRED)" CA 142 1.469 1
3 1 1 1 "RMS(OBS, PRED)" CB 130 1.447 1
4 1 1 1 "RMS(OBS, PRED)" H 133 0.571 1
5 1 1 1 "RMS(OBS, PRED)" HA 152 0.355 1
6 1 1 1 "RMS(OBS, PRED)" N 132 3.252 1
7 1 2 1 "RMS(OBS, PRED)" C 137 1.202 1
8 1 2 1 "RMS(OBS, PRED)" CA 142 1.417 1
9 1 2 1 "RMS(OBS, PRED)" CB 130 1.238 1
10 1 2 1 "RMS(OBS, PRED)" H 133 0.523 1
11 1 2 1 "RMS(OBS, PRED)" HA 152 0.349 1
12 1 2 1 "RMS(OBS, PRED)" N 132 3.347 1
13 1 3 1 "RMS(OBS, PRED)" C 137 1.217 1
14 1 3 1 "RMS(OBS, PRED)" CA 142 1.440 1
15 1 3 1 "RMS(OBS, PRED)" CB 130 1.403 1
16 1 3 1 "RMS(OBS, PRED)" H 133 0.528 1
17 1 3 1 "RMS(OBS, PRED)" HA 152 0.368 1
18 1 3 1 "RMS(OBS, PRED)" N 132 3.263 1
19 1 4 1 "RMS(OBS, PRED)" C 137 1.143 1
20 1 4 1 "RMS(OBS, PRED)" CA 142 1.442 1
21 1 4 1 "RMS(OBS, PRED)" CB 130 1.311 1
22 1 4 1 "RMS(OBS, PRED)" H 133 0.502 1
23 1 4 1 "RMS(OBS, PRED)" HA 152 0.348 1
24 1 4 1 "RMS(OBS, PRED)" N 132 3.092 1
25 1 5 1 "RMS(OBS, PRED)" C 137 1.198 1
26 1 5 1 "RMS(OBS, PRED)" CA 142 1.507 1
27 1 5 1 "RMS(OBS, PRED)" CB 130 1.407 1
28 1 5 1 "RMS(OBS, PRED)" H 133 0.535 1
29 1 5 1 "RMS(OBS, PRED)" HA 152 0.361 1
30 1 5 1 "RMS(OBS, PRED)" N 132 3.300 1
31 1 6 1 "RMS(OBS, PRED)" C 137 1.175 1
32 1 6 1 "RMS(OBS, PRED)" CA 142 1.441 1
33 1 6 1 "RMS(OBS, PRED)" CB 130 1.348 1
34 1 6 1 "RMS(OBS, PRED)" H 133 0.515 1
35 1 6 1 "RMS(OBS, PRED)" HA 152 0.372 1
36 1 6 1 "RMS(OBS, PRED)" N 132 3.303 1
37 1 7 1 "RMS(OBS, PRED)" C 137 1.219 1
38 1 7 1 "RMS(OBS, PRED)" CA 142 1.464 1
39 1 7 1 "RMS(OBS, PRED)" CB 130 1.418 1
40 1 7 1 "RMS(OBS, PRED)" H 133 0.530 1
41 1 7 1 "RMS(OBS, PRED)" HA 152 0.347 1
42 1 7 1 "RMS(OBS, PRED)" N 132 3.143 1
43 1 8 1 "RMS(OBS, PRED)" C 137 1.205 1
44 1 8 1 "RMS(OBS, PRED)" CA 142 1.378 1
45 1 8 1 "RMS(OBS, PRED)" CB 130 1.292 1
46 1 8 1 "RMS(OBS, PRED)" H 133 0.535 1
47 1 8 1 "RMS(OBS, PRED)" HA 152 0.358 1
48 1 8 1 "RMS(OBS, PRED)" N 132 3.508 1
49 1 9 1 "RMS(OBS, PRED)" C 137 1.183 1
50 1 9 1 "RMS(OBS, PRED)" CA 142 1.414 1
51 1 9 1 "RMS(OBS, PRED)" CB 130 1.262 1
52 1 9 1 "RMS(OBS, PRED)" H 133 0.535 1
53 1 9 1 "RMS(OBS, PRED)" HA 152 0.346 1
54 1 9 1 "RMS(OBS, PRED)" N 132 3.404 1
55 1 10 1 "RMS(OBS, PRED)" C 137 1.141 1
56 1 10 1 "RMS(OBS, PRED)" CA 142 1.463 1
57 1 10 1 "RMS(OBS, PRED)" CB 130 1.351 1
58 1 10 1 "RMS(OBS, PRED)" H 133 0.522 1
59 1 10 1 "RMS(OBS, PRED)" HA 152 0.349 1
60 1 10 1 "RMS(OBS, PRED)" N 132 3.278 1
61 1 11 1 "RMS(OBS, PRED)" C 137 1.197 1
62 1 11 1 "RMS(OBS, PRED)" CA 142 1.400 1
63 1 11 1 "RMS(OBS, PRED)" CB 130 1.221 1
64 1 11 1 "RMS(OBS, PRED)" H 133 0.534 1
65 1 11 1 "RMS(OBS, PRED)" HA 152 0.332 1
66 1 11 1 "RMS(OBS, PRED)" N 132 3.255 1
67 1 12 1 "RMS(OBS, PRED)" C 137 1.197 1
68 1 12 1 "RMS(OBS, PRED)" CA 142 1.447 1
69 1 12 1 "RMS(OBS, PRED)" CB 130 1.221 1
70 1 12 1 "RMS(OBS, PRED)" H 133 0.512 1
71 1 12 1 "RMS(OBS, PRED)" HA 152 0.341 1
72 1 12 1 "RMS(OBS, PRED)" N 132 3.378 1
73 1 13 1 "RMS(OBS, PRED)" C 137 1.175 1
74 1 13 1 "RMS(OBS, PRED)" CA 142 1.449 1
75 1 13 1 "RMS(OBS, PRED)" CB 130 1.392 1
76 1 13 1 "RMS(OBS, PRED)" H 133 0.532 1
77 1 13 1 "RMS(OBS, PRED)" HA 152 0.338 1
78 1 13 1 "RMS(OBS, PRED)" N 132 3.345 1
79 1 14 1 "RMS(OBS, PRED)" C 137 1.161 1
80 1 14 1 "RMS(OBS, PRED)" CA 142 1.447 1
81 1 14 1 "RMS(OBS, PRED)" CB 130 1.335 1
82 1 14 1 "RMS(OBS, PRED)" H 133 0.501 1
83 1 14 1 "RMS(OBS, PRED)" HA 152 0.339 1
84 1 14 1 "RMS(OBS, PRED)" N 132 3.090 1
85 1 15 1 "RMS(OBS, PRED)" C 137 1.166 1
86 1 15 1 "RMS(OBS, PRED)" CA 142 1.508 1
87 1 15 1 "RMS(OBS, PRED)" CB 130 1.354 1
88 1 15 1 "RMS(OBS, PRED)" H 133 0.537 1
89 1 15 1 "RMS(OBS, PRED)" HA 152 0.345 1
90 1 15 1 "RMS(OBS, PRED)" N 132 3.500 1
91 1 16 1 "RMS(OBS, PRED)" C 137 1.177 1
92 1 16 1 "RMS(OBS, PRED)" CA 142 1.481 1
93 1 16 1 "RMS(OBS, PRED)" CB 130 1.436 1
94 1 16 1 "RMS(OBS, PRED)" H 133 0.546 1
95 1 16 1 "RMS(OBS, PRED)" HA 152 0.359 1
96 1 16 1 "RMS(OBS, PRED)" N 132 3.509 1
97 1 17 1 "RMS(OBS, PRED)" C 137 1.152 1
98 1 17 1 "RMS(OBS, PRED)" CA 142 1.478 1
99 1 17 1 "RMS(OBS, PRED)" CB 130 1.279 1
100 1 17 1 "RMS(OBS, PRED)" H 133 0.524 1
101 1 17 1 "RMS(OBS, PRED)" HA 152 0.354 1
102 1 17 1 "RMS(OBS, PRED)" N 132 3.550 1
103 1 18 1 "RMS(OBS, PRED)" C 137 1.150 1
104 1 18 1 "RMS(OBS, PRED)" CA 142 1.497 1
105 1 18 1 "RMS(OBS, PRED)" CB 130 1.358 1
106 1 18 1 "RMS(OBS, PRED)" H 133 0.507 1
107 1 18 1 "RMS(OBS, PRED)" HA 152 0.343 1
108 1 18 1 "RMS(OBS, PRED)" N 132 3.171 1
109 1 19 1 "RMS(OBS, PRED)" C 137 1.183 1
110 1 19 1 "RMS(OBS, PRED)" CA 142 1.531 1
111 1 19 1 "RMS(OBS, PRED)" CB 130 1.390 1
112 1 19 1 "RMS(OBS, PRED)" H 133 0.535 1
113 1 19 1 "RMS(OBS, PRED)" HA 152 0.347 1
114 1 19 1 "RMS(OBS, PRED)" N 132 3.279 1
115 1 20 1 "RMS(OBS, PRED)" C 137 1.234 1
116 1 20 1 "RMS(OBS, PRED)" CA 142 1.467 1
117 1 20 1 "RMS(OBS, PRED)" CB 130 1.234 1
118 1 20 1 "RMS(OBS, PRED)" H 133 0.522 1
119 1 20 1 "RMS(OBS, PRED)" HA 152 0.358 1
120 1 20 1 "RMS(OBS, PRED)" N 132 3.034 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 5 5 SER CA C 5 58.376 57.972 0.404 2
1 2 . 1 1 A 5 5 SER HA H 5 4.528 4.759 -0.231 2
1 3 . 1 1 A 5 5 SER CB C 5 63.813 63.737 0.076 2
1 5 . 1 1 A 5 5 SER C C 5 174.968 173.304 1.664 2
1 6 . 1 1 A 6 6 SER N N 6 117.996 119.894 -1.898 2
1 7 . 1 1 A 6 6 SER H H 6 8.503 8.556 -0.053 2
1 8 . 1 1 A 6 6 SER CA C 6 58.642 57.344 1.298 2
1 9 . 1 1 A 6 6 SER HA H 6 4.526 4.942 -0.416 2
1 10 . 1 1 A 6 6 SER CB C 6 63.855 65.140 -1.285 2
1 13 . 1 1 A 6 6 SER C C 6 175.129 174.055 1.074 2
1 14 . 1 1 A 7 7 GLY N N 7 110.904 112.108 -1.204 2
1 15 . 1 1 A 7 7 GLY H H 7 8.470 8.514 -0.044 2
1 16 . 1 1 A 7 7 GLY CA C 7 45.430 45.749 -0.319 2
1 17 . 1 1 A 7 7 GLY HA2 H 7 4.030 4.065 -0.035 2
1 18 . 1 1 A 7 7 GLY HA3 H 7 4.030 4.070 -0.040 2
1 19 . 1 1 A 7 7 GLY C C 7 174.606 174.374 0.233 2
1 20 . 1 1 A 8 8 GLY N N 8 108.942 109.512 -0.570 2
1 21 . 1 1 A 8 8 GLY H H 8 8.286 8.331 -0.045 2
1 22 . 1 1 A 8 8 GLY CA C 8 45.058 45.945 -0.887 2
1 23 . 1 1 A 8 8 GLY HA2 H 8 4.027 3.986 0.041 2
1 24 . 1 1 A 8 8 GLY HA3 H 8 4.199 3.993 0.206 2
1 25 . 1 1 A 8 8 GLY C C 8 173.943 173.978 -0.035 2
1 26 . 1 1 A 9 9 SER N N 9 115.435 117.295 -1.860 2
1 27 . 1 1 A 9 9 SER H H 9 8.275 8.343 -0.068 2
1 28 . 1 1 A 9 9 SER CA C 9 57.847 58.320 -0.473 2
1 29 . 1 1 A 9 9 SER HA H 9 4.616 4.537 0.079 2
1 30 . 1 1 A 9 9 SER CB C 9 64.102 64.200 -0.098 2
1 33 . 1 1 A 9 9 SER C C 9 174.962 175.052 -0.090 2
1 34 . 1 1 A 10 10 ARG N N 10 126.156 123.428 2.728 2
1 35 . 1 1 A 10 10 ARG H H 10 9.427 8.612 0.815 2
1 36 . 1 1 A 10 10 ARG CA C 10 56.662 58.343 -1.681 2
1 37 . 1 1 A 10 10 ARG HA H 10 4.332 4.158 0.174 2
1 38 . 1 1 A 10 10 ARG CB C 10 30.289 30.577 -0.288 2
1 49 . 1 1 A 10 10 ARG C C 10 175.504 176.808 -1.304 2
1 50 . 1 1 A 11 11 ILE N N 11 119.127 120.307 -1.180 2
1 51 . 1 1 A 11 11 ILE H H 11 8.176 7.652 0.524 2
1 52 . 1 1 A 11 11 ILE CA C 11 61.153 61.485 -0.332 2
1 53 . 1 1 A 11 11 ILE HA H 11 4.553 4.028 0.525 2
1 54 . 1 1 A 11 11 ILE CB C 11 39.949 38.087 1.862 2
1 67 . 1 1 A 11 11 ILE C C 11 176.134 174.983 1.151 2
1 68 . 1 1 A 12 12 THR N N 12 124.682 123.358 1.325 2
1 69 . 1 1 A 12 12 THR H H 12 8.534 8.564 -0.030 2
1 70 . 1 1 A 12 12 THR CA C 12 61.630 61.081 0.549 2
1 71 . 1 1 A 12 12 THR HA H 12 4.359 4.658 -0.299 2
1 72 . 1 1 A 12 12 THR CB C 12 70.705 71.216 -0.511 2
1 78 . 1 1 A 12 12 THR C C 12 171.804 173.094 -1.290 2
1 79 . 1 1 A 13 13 TYR N N 13 124.043 125.846 -1.803 2
1 80 . 1 1 A 13 13 TYR H H 13 8.691 8.659 0.032 2
1 81 . 1 1 A 13 13 TYR CA C 13 57.846 57.224 0.622 2
1 82 . 1 1 A 13 13 TYR HA H 13 5.099 5.406 -0.307 2
1 83 . 1 1 A 13 13 TYR CB C 13 39.895 40.018 -0.123 2
1 94 . 1 1 A 13 13 TYR C C 13 175.924 175.453 0.471 2
1 95 . 1 1 A 14 14 VAL N N 14 124.012 122.555 1.457 2
1 96 . 1 1 A 14 14 VAL H H 14 8.633 9.024 -0.391 2
1 97 . 1 1 A 14 14 VAL CA C 14 60.958 59.961 0.997 2
1 98 . 1 1 A 14 14 VAL HA H 14 4.015 4.736 -0.721 2
1 99 . 1 1 A 14 14 VAL CB C 14 35.416 34.923 0.493 2
1 109 . 1 1 A 14 14 VAL C C 14 173.974 173.715 0.259 2
1 110 . 1 1 A 15 15 LYS N N 15 127.960 126.405 1.555 2
1 111 . 1 1 A 15 15 LYS H H 15 8.318 8.776 -0.458 2
1 112 . 1 1 A 15 15 LYS CA C 15 54.152 54.945 -0.793 2
1 113 . 1 1 A 15 15 LYS HA H 15 5.126 5.124 0.002 2
1 114 . 1 1 A 15 15 LYS CB C 15 32.086 34.390 -2.304 2
1 126 . 1 1 A 15 15 LYS C C 15 176.050 175.263 0.787 2
1 127 . 1 1 A 16 16 GLY N N 16 114.545 112.614 1.931 2
1 128 . 1 1 A 16 16 GLY H H 16 8.508 8.254 0.254 2
1 129 . 1 1 A 16 16 GLY CA C 16 45.006 44.055 0.951 2
1 130 . 1 1 A 16 16 GLY HA2 H 16 4.028 4.118 -0.090 2
1 131 . 1 1 A 16 16 GLY HA3 H 16 4.197 4.147 0.050 2
1 132 . 1 1 A 16 16 GLY C C 16 170.957 172.872 -1.915 2
1 133 . 1 1 A 17 17 ASP N N 17 119.423 121.342 -1.919 2
1 134 . 1 1 A 17 17 ASP H H 17 8.271 8.608 -0.337 2
1 135 . 1 1 A 17 17 ASP CA C 17 53.164 55.028 -1.864 2
1 136 . 1 1 A 17 17 ASP HA H 17 4.407 4.412 -0.005 2
1 137 . 1 1 A 17 17 ASP CB C 17 41.912 41.644 0.268 2
1 140 . 1 1 A 17 17 ASP C C 17 176.089 176.013 0.076 2
1 141 . 1 1 A 18 18 LEU N N 18 130.056 124.433 5.623 2
1 142 . 1 1 A 18 18 LEU H H 18 8.304 8.577 -0.273 2
1 143 . 1 1 A 18 18 LEU CA C 18 57.156 55.503 1.653 2
1 144 . 1 1 A 18 18 LEU HA H 18 2.425 3.714 -1.289 2
1 145 . 1 1 A 18 18 LEU CB C 18 42.959 43.870 -0.911 2
1 158 . 1 1 A 18 18 LEU C C 18 175.737 177.826 -2.089 2
1 159 . 1 1 A 19 19 PHE N N 19 109.678 116.914 -7.236 2
1 160 . 1 1 A 19 19 PHE H H 19 7.461 7.382 0.079 2
1 161 . 1 1 A 19 19 PHE CA C 19 59.844 59.545 0.299 2
1 162 . 1 1 A 19 19 PHE HA H 19 3.920 4.386 -0.466 2
1 163 . 1 1 A 19 19 PHE CB C 19 36.735 40.321 -3.586 2
1 176 . 1 1 A 19 19 PHE C C 19 175.833 177.431 -1.598 2
1 177 . 1 1 A 20 20 ALA N N 20 123.506 121.993 1.512 2
1 178 . 1 1 A 20 20 ALA H H 20 7.752 8.003 -0.251 2
1 179 . 1 1 A 20 20 ALA CA C 20 51.160 54.292 -3.132 2
1 180 . 1 1 A 20 20 ALA HA H 20 4.518 4.166 0.352 2
1 181 . 1 1 A 20 20 ALA CB C 20 18.395 18.638 -0.243 2
1 185 . 1 1 A 20 20 ALA C C 20 176.772 179.645 -2.873 2
1 186 . 1 1 A 21 21 CYS N N 21 118.823 116.670 2.153 2
1 187 . 1 1 A 21 21 CYS H H 21 7.225 7.972 -0.747 2
1 188 . 1 1 A 21 21 CYS CA C 21 56.813 63.593 -6.780 2
1 189 . 1 1 A 21 21 CYS HA H 21 4.580 4.197 0.383 2
1 190 . 1 1 A 21 21 CYS CB C 21 25.916 27.044 -1.128 2
1 193 . 1 1 A 21 21 CYS C C 21 170.919 175.200 -4.281 2
1 194 . 1 1 A 22 22 PRO CA C 22 64.000 62.736 1.264 2
1 195 . 1 1 A 22 22 PRO HA H 22 4.373 4.507 -0.134 2
1 196 . 1 1 A 22 22 PRO CB C 22 31.802 32.918 -1.116 2
1 205 . 1 1 A 22 22 PRO C C 22 178.609 176.380 2.229 2
1 206 . 1 1 A 23 23 LYS N N 23 122.870 120.953 1.917 2
1 207 . 1 1 A 23 23 LYS H H 23 8.785 8.817 -0.032 2
1 208 . 1 1 A 23 23 LYS CA C 23 58.671 57.117 1.554 2
1 209 . 1 1 A 23 23 LYS HA H 23 4.103 4.489 -0.386 2
1 210 . 1 1 A 23 23 LYS CB C 23 32.078 34.941 -2.863 2
1 222 . 1 1 A 23 23 LYS C C 23 175.722 177.676 -1.954 2
1 223 . 1 1 A 24 24 THR N N 24 102.744 107.198 -4.454 2
1 224 . 1 1 A 24 24 THR H H 24 7.097 7.652 -0.555 2
1 225 . 1 1 A 24 24 THR CA C 24 61.064 61.685 -0.621 2
1 226 . 1 1 A 24 24 THR HA H 24 4.166 4.578 -0.412 2
1 227 . 1 1 A 24 24 THR CB C 24 68.805 70.757 -1.952 2
1 233 . 1 1 A 24 24 THR C C 24 176.216 174.495 1.721 2
1 234 . 1 1 A 25 25 ASP N N 25 125.303 124.155 1.148 2
1 235 . 1 1 A 25 25 ASP H H 25 7.768 7.717 0.051 2
1 236 . 1 1 A 25 25 ASP CA C 25 55.246 55.027 0.219 2
1 237 . 1 1 A 25 25 ASP HA H 25 4.536 4.580 -0.044 2
1 238 . 1 1 A 25 25 ASP CB C 25 40.321 41.159 -0.838 2
1 241 . 1 1 A 25 25 ASP C C 25 177.718 175.794 1.924 2
1 242 . 1 1 A 26 26 SER N N 26 118.303 118.340 -0.037 2
1 243 . 1 1 A 26 26 SER H H 26 8.472 8.460 0.012 2
1 244 . 1 1 A 26 26 SER CA C 26 61.547 58.142 3.405 2
1 245 . 1 1 A 26 26 SER HA H 26 5.138 4.738 0.400 2
1 246 . 1 1 A 26 26 SER CB C 26 65.326 64.959 0.367 2
1 249 . 1 1 A 26 26 SER C C 26 172.446 173.571 -1.125 2
1 250 . 1 1 A 27 27 LEU N N 27 121.957 122.032 -0.075 2
1 251 . 1 1 A 27 27 LEU H H 27 8.553 8.246 0.307 2
1 252 . 1 1 A 27 27 LEU CA C 27 53.919 53.601 0.318 2
1 253 . 1 1 A 27 27 LEU HA H 27 6.004 5.696 0.308 2
1 254 . 1 1 A 27 27 LEU CB C 27 48.728 45.573 3.155 2
1 267 . 1 1 A 27 27 LEU C C 27 176.071 175.874 0.197 2
1 268 . 1 1 A 28 28 ALA N N 28 119.120 123.245 -4.125 2
1 269 . 1 1 A 28 28 ALA H H 28 8.083 8.564 -0.481 2
1 270 . 1 1 A 28 28 ALA CA C 28 50.738 51.296 -0.558 2
1 271 . 1 1 A 28 28 ALA HA H 28 5.833 5.363 0.470 2
1 272 . 1 1 A 28 28 ALA CB C 28 24.493 22.349 2.144 2
1 276 . 1 1 A 28 28 ALA C C 28 174.396 175.542 -1.146 2
1 277 . 1 1 A 29 29 HIS N N 29 111.296 120.816 -9.520 2
1 278 . 1 1 A 29 29 HIS H H 29 8.042 8.448 -0.406 2
1 279 . 1 1 A 29 29 HIS CA C 29 55.617 54.985 0.632 2
1 280 . 1 1 A 29 29 HIS HA H 29 4.552 5.044 -0.492 2
1 281 . 1 1 A 29 29 HIS CB C 29 31.644 32.417 -0.773 2
1 288 . 1 1 A 29 29 HIS C C 29 172.453 172.855 -0.402 2
1 289 . 1 1 A 30 30 CYS N N 30 115.842 120.228 -4.386 2
1 290 . 1 1 A 30 30 CYS H H 30 8.182 7.950 0.232 2
1 291 . 1 1 A 30 30 CYS CA C 30 57.610 56.912 0.698 2
1 292 . 1 1 A 30 30 CYS HA H 30 5.489 5.444 0.045 2
1 293 . 1 1 A 30 30 CYS CB C 30 30.518 29.611 0.907 2
1 296 . 1 1 A 30 30 CYS C C 30 175.085 173.907 1.178 2
1 297 . 1 1 A 31 31 ILE N N 31 117.447 121.093 -3.646 2
1 298 . 1 1 A 31 31 ILE H H 31 9.209 9.024 0.185 2
1 299 . 1 1 A 31 31 ILE CA C 31 60.057 58.731 1.326 2
1 300 . 1 1 A 31 31 ILE HA H 31 4.816 5.042 -0.226 2
1 301 . 1 1 A 31 31 ILE CB C 31 43.206 42.413 0.793 2
1 314 . 1 1 A 31 31 ILE C C 31 173.249 174.813 -1.564 2
1 315 . 1 1 A 32 32 SER N N 32 111.596 117.632 -6.036 2
1 316 . 1 1 A 32 32 SER H H 32 7.858 8.578 -0.720 2
1 317 . 1 1 A 32 32 SER CA C 32 55.599 56.874 -1.275 2
1 318 . 1 1 A 32 32 SER HA H 32 5.139 5.015 0.124 2
1 319 . 1 1 A 32 32 SER CB C 32 66.377 65.737 0.640 2
1 322 . 1 1 A 32 32 SER C C 32 176.120 175.779 0.341 2
1 323 . 1 1 A 33 33 GLU N N 33 118.525 122.290 -3.765 2
1 324 . 1 1 A 33 33 GLU H H 33 8.189 8.794 -0.605 2
1 325 . 1 1 A 33 33 GLU CA C 33 59.273 59.682 -0.409 2
1 326 . 1 1 A 33 33 GLU HA H 33 3.759 4.029 -0.270 2
1 327 . 1 1 A 33 33 GLU CB C 33 30.553 29.352 1.201 2
1 333 . 1 1 A 33 33 GLU C C 33 177.446 177.736 -0.290 2
1 334 . 1 1 A 34 34 ASP N N 34 113.498 117.827 -4.329 2
1 335 . 1 1 A 34 34 ASP H H 34 7.480 7.682 -0.202 2
1 336 . 1 1 A 34 34 ASP CA C 34 54.511 55.231 -0.720 2
1 337 . 1 1 A 34 34 ASP HA H 34 4.342 4.598 -0.256 2
1 338 . 1 1 A 34 34 ASP CB C 34 40.374 40.769 -0.395 2
1 341 . 1 1 A 34 34 ASP C C 34 175.854 175.675 0.179 2
1 342 . 1 1 A 35 35 CYS N N 35 111.837 116.618 -4.781 2
1 343 . 1 1 A 35 35 CYS H H 35 8.327 8.069 0.258 2
1 344 . 1 1 A 35 35 CYS CA C 35 61.093 60.335 0.758 2
1 345 . 1 1 A 35 35 CYS HA H 35 3.772 4.155 -0.383 2
1 346 . 1 1 A 35 35 CYS CB C 35 25.679 25.793 -0.114 2
1 349 . 1 1 A 35 35 CYS C C 35 173.370 174.081 -0.711 2
1 350 . 1 1 A 36 36 ARG N N 36 117.440 119.954 -2.514 2
1 351 . 1 1 A 36 36 ARG H H 36 7.473 8.059 -0.587 2
1 352 . 1 1 A 36 36 ARG CA C 36 57.988 55.217 2.771 2
1 353 . 1 1 A 36 36 ARG HA H 36 3.981 4.480 -0.499 2
1 354 . 1 1 A 36 36 ARG CB C 36 30.430 29.508 0.922 2
1 363 . 1 1 A 36 36 ARG C C 36 177.233 175.512 1.721 2
1 364 . 1 1 A 37 37 MET CA C 37 56.118 55.433 0.685 2
1 365 . 1 1 A 37 37 MET HA H 37 4.036 4.678 -0.642 2
1 373 . 1 1 A 38 38 GLY H H 38 8.192 8.525 -0.333 2
1 374 . 1 1 A 38 38 GLY CA C 38 45.670 45.829 -0.159 2
1 375 . 1 1 A 38 38 GLY HA2 H 38 4.220 4.107 0.113 2
1 376 . 1 1 A 38 38 GLY HA3 H 38 3.595 4.115 -0.520 2
1 377 . 1 1 A 38 38 GLY C C 38 173.799 173.354 0.445 2
1 378 . 1 1 A 39 39 ALA N N 39 122.002 121.266 0.736 2
1 379 . 1 1 A 39 39 ALA H H 39 7.697 7.726 -0.029 2
1 380 . 1 1 A 39 39 ALA CA C 39 51.019 51.599 -0.580 2
1 381 . 1 1 A 39 39 ALA HA H 39 4.678 4.655 0.023 2
1 382 . 1 1 A 39 39 ALA CB C 39 22.608 22.235 0.373 2
1 386 . 1 1 A 39 39 ALA C C 39 176.769 177.218 -0.449 2
1 387 . 1 1 A 40 40 GLY N N 40 107.149 111.148 -3.999 2
1 388 . 1 1 A 40 40 GLY H H 40 8.731 8.910 -0.179 2
1 389 . 1 1 A 40 40 GLY CA C 40 45.768 46.171 -0.403 2
1 390 . 1 1 A 40 40 GLY HA2 H 40 3.957 3.981 -0.024 2
1 391 . 1 1 A 40 40 GLY HA3 H 40 4.220 3.992 0.228 2
1 392 . 1 1 A 40 40 GLY C C 40 176.747 175.221 1.526 2
1 393 . 1 1 A 41 41 ILE CA C 41 63.397 63.350 0.047 2
1 394 . 1 1 A 41 41 ILE HA H 41 4.312 4.053 0.259 2
1 395 . 1 1 A 41 41 ILE CB C 41 38.794 37.910 0.883 2
1 408 . 1 1 A 41 41 ILE C C 41 177.249 177.930 -0.681 2
1 409 . 1 1 A 42 42 ALA N N 42 124.835 123.634 1.201 2
1 410 . 1 1 A 42 42 ALA H H 42 8.629 8.289 0.340 2
1 411 . 1 1 A 42 42 ALA CA C 42 55.599 55.246 0.353 2
1 412 . 1 1 A 42 42 ALA HA H 42 4.377 3.953 0.424 2
1 413 . 1 1 A 42 42 ALA CB C 42 18.155 18.442 -0.287 2
1 417 . 1 1 A 42 42 ALA C C 42 179.079 180.382 -1.303 2
1 418 . 1 1 A 43 43 VAL N N 43 116.015 118.693 -2.678 2
1 419 . 1 1 A 43 43 VAL H H 43 7.363 7.979 -0.616 2
1 420 . 1 1 A 43 43 VAL CA C 43 65.623 66.994 -1.371 2
1 421 . 1 1 A 43 43 VAL HA H 43 3.822 3.622 0.200 2
1 422 . 1 1 A 43 43 VAL CB C 43 32.408 31.592 0.816 2
1 432 . 1 1 A 43 43 VAL C C 43 178.285 178.151 0.134 2
1 433 . 1 1 A 44 44 LEU N N 44 119.736 119.434 0.302 2
1 434 . 1 1 A 44 44 LEU H H 44 7.357 8.162 -0.805 2
1 435 . 1 1 A 44 44 LEU CA C 44 57.460 58.039 -0.579 2
1 436 . 1 1 A 44 44 LEU HA H 44 3.968 3.875 0.093 2
1 437 . 1 1 A 44 44 LEU CB C 44 41.234 41.614 -0.380 2
1 450 . 1 1 A 44 44 LEU C C 44 179.972 179.279 0.693 2
1 451 . 1 1 A 45 45 PHE N N 45 118.434 117.898 0.536 2
1 452 . 1 1 A 45 45 PHE H H 45 7.733 7.910 -0.177 2
1 453 . 1 1 A 45 45 PHE CA C 45 63.151 61.011 2.140 2
1 454 . 1 1 A 45 45 PHE HA H 45 4.009 4.271 -0.262 2
1 455 . 1 1 A 45 45 PHE CB C 45 39.883 38.823 1.060 2
1 468 . 1 1 A 45 45 PHE C C 45 180.448 178.370 2.078 2
1 469 . 1 1 A 46 46 LYS N N 46 124.749 119.647 5.102 2
1 470 . 1 1 A 46 46 LYS H H 46 8.819 8.332 0.487 2
1 471 . 1 1 A 46 46 LYS CA C 46 60.958 58.799 2.159 2
1 472 . 1 1 A 46 46 LYS HA H 46 4.160 4.109 0.052 2
1 473 . 1 1 A 46 46 LYS CB C 46 31.930 31.875 0.055 2
1 485 . 1 1 A 46 46 LYS C C 46 179.139 178.331 0.808 2
1 486 . 1 1 A 47 47 LYS N N 47 119.317 118.959 0.358 2
1 487 . 1 1 A 47 47 LYS H H 47 8.154 7.959 0.195 2
1 488 . 1 1 A 47 47 LYS CA C 47 59.331 58.598 0.733 2
1 489 . 1 1 A 47 47 LYS HA H 47 3.939 4.146 -0.207 2
1 490 . 1 1 A 47 47 LYS CB C 47 33.065 32.863 0.202 2
1 502 . 1 1 A 47 47 LYS C C 47 178.108 178.884 -0.776 2
1 503 . 1 1 A 48 48 LYS N N 48 116.005 119.497 -3.492 2
1 504 . 1 1 A 48 48 LYS H H 48 7.976 7.980 -0.004 2
1 505 . 1 1 A 48 48 LYS CA C 48 58.650 58.610 0.040 2
1 506 . 1 1 A 48 48 LYS HA H 48 3.684 3.795 -0.111 2
1 507 . 1 1 A 48 48 LYS CB C 48 32.372 31.970 0.402 2
1 519 . 1 1 A 48 48 LYS C C 48 178.213 177.639 0.574 2
1 520 . 1 1 A 49 49 PHE N N 49 112.629 113.967 -1.338 2
1 521 . 1 1 A 49 49 PHE H H 49 7.658 7.753 -0.095 2
1 522 . 1 1 A 49 49 PHE CA C 49 56.958 58.361 -1.403 2
1 523 . 1 1 A 49 49 PHE HA H 49 5.028 4.671 0.357 2
1 524 . 1 1 A 49 49 PHE CB C 49 40.496 39.960 0.536 2
1 537 . 1 1 A 49 49 PHE C C 49 176.188 176.489 -0.301 2
1 538 . 1 1 A 50 50 GLY N N 50 108.499 108.324 0.175 2
1 539 . 1 1 A 50 50 GLY H H 50 7.821 7.930 -0.109 2
1 540 . 1 1 A 50 50 GLY CA C 50 46.579 46.949 -0.370 2
1 541 . 1 1 A 50 50 GLY HA2 H 50 3.953 3.817 0.136 2
1 542 . 1 1 A 50 50 GLY HA3 H 50 3.953 3.907 0.046 2
1 543 . 1 1 A 50 50 GLY C C 50 174.288 175.509 -1.221 2
1 544 . 1 1 A 51 51 GLY N N 51 108.968 108.598 0.370 2
1 545 . 1 1 A 51 51 GLY H H 51 8.600 8.091 0.509 2
1 546 . 1 1 A 51 51 GLY CA C 51 46.597 46.132 0.465 2
1 547 . 1 1 A 51 51 GLY HA2 H 51 3.943 4.075 -0.132 2
1 548 . 1 1 A 51 51 GLY HA3 H 51 4.047 4.118 -0.071 2
1 549 . 1 1 A 51 51 GLY C C 51 174.522 175.462 -0.940 2
1 550 . 1 1 A 52 52 VAL N N 52 118.929 119.203 -0.274 2
1 551 . 1 1 A 52 52 VAL H H 52 7.980 7.966 0.014 2
1 552 . 1 1 A 52 52 VAL CA C 52 68.080 65.628 2.452 2
1 553 . 1 1 A 52 52 VAL HA H 52 3.334 3.684 -0.350 2
1 554 . 1 1 A 52 52 VAL CB C 52 31.150 31.486 -0.336 2
1 564 . 1 1 A 52 52 VAL C C 52 177.566 177.587 -0.021 2
1 565 . 1 1 A 53 53 GLN N N 53 116.880 121.414 -4.534 2
1 566 . 1 1 A 53 53 GLN H H 53 8.513 7.997 0.516 2
1 567 . 1 1 A 53 53 GLN CA C 53 58.730 58.875 -0.145 2
1 568 . 1 1 A 53 53 GLN HA H 53 3.946 3.981 -0.035 2
1 569 . 1 1 A 53 53 GLN CB C 53 28.098 28.399 -0.301 2
1 578 . 1 1 A 53 53 GLN C C 53 177.916 178.289 -0.373 2
1 579 . 1 1 A 54 54 GLU N N 54 119.584 119.641 -0.057 2
1 580 . 1 1 A 54 54 GLU H H 54 7.525 8.107 -0.582 2
1 581 . 1 1 A 54 54 GLU CA C 54 59.754 59.041 0.713 2
1 582 . 1 1 A 54 54 GLU HA H 54 3.980 4.069 -0.089 2
1 583 . 1 1 A 54 54 GLU CB C 54 29.509 29.658 -0.149 2
1 589 . 1 1 A 54 54 GLU C C 54 180.168 179.544 0.624 2
1 590 . 1 1 A 55 55 LEU N N 55 121.130 120.602 0.529 2
1 591 . 1 1 A 55 55 LEU H H 55 8.437 8.140 0.297 2
1 592 . 1 1 A 55 55 LEU CA C 55 58.005 57.673 0.331 2
1 593 . 1 1 A 55 55 LEU HA H 55 3.870 3.952 -0.082 2
1 594 . 1 1 A 55 55 LEU CB C 55 42.588 41.510 1.078 2
1 607 . 1 1 A 55 55 LEU C C 55 180.835 179.342 1.493 2
1 608 . 1 1 A 56 56 LEU N N 56 123.508 118.540 4.968 2
1 609 . 1 1 A 56 56 LEU H H 56 8.664 8.224 0.440 2
1 610 . 1 1 A 56 56 LEU CA C 56 58.397 57.797 0.600 2
1 611 . 1 1 A 56 56 LEU HA H 56 3.972 3.908 0.064 2
1 612 . 1 1 A 56 56 LEU CB C 56 42.087 41.237 0.850 2
1 625 . 1 1 A 56 56 LEU C C 56 181.257 179.265 1.992 2
1 626 . 1 1 A 57 57 ASN N N 57 116.946 118.397 -1.451 2
1 627 . 1 1 A 57 57 ASN H H 57 8.334 8.088 0.245 2
1 628 . 1 1 A 57 57 ASN CA C 57 54.627 56.464 -1.837 2
1 629 . 1 1 A 57 57 ASN HA H 57 4.566 4.420 0.146 2
1 630 . 1 1 A 57 57 ASN CB C 57 38.170 37.987 0.183 2
1 636 . 1 1 A 57 57 ASN C C 57 176.756 177.939 -1.183 2
1 637 . 1 1 A 58 58 GLN N N 58 118.214 116.953 1.261 2
1 638 . 1 1 A 58 58 GLN H H 58 7.670 7.726 -0.056 2
1 639 . 1 1 A 58 58 GLN CA C 58 58.022 56.716 1.306 2
1 640 . 1 1 A 58 58 GLN HA H 58 4.184 4.240 -0.056 2
1 641 . 1 1 A 58 58 GLN CB C 58 28.460 28.871 -0.411 2
1 650 . 1 1 A 58 58 GLN C C 58 175.792 175.527 0.265 2
1 651 . 1 1 A 59 59 GLN N N 59 114.113 116.216 -2.103 2
1 652 . 1 1 A 59 59 GLN H H 59 7.825 8.134 -0.309 2
1 653 . 1 1 A 59 59 GLN CA C 59 56.584 56.854 -0.270 2
1 654 . 1 1 A 59 59 GLN HA H 59 4.015 3.824 0.191 2
1 655 . 1 1 A 59 59 GLN CB C 59 26.829 26.341 0.488 2
1 664 . 1 1 A 59 59 GLN C C 59 175.049 175.130 -0.081 2
1 665 . 1 1 A 60 60 LYS N N 60 118.472 118.874 -0.402 2
1 666 . 1 1 A 60 60 LYS H H 60 9.134 8.141 0.993 2
1 667 . 1 1 A 60 60 LYS CA C 60 54.005 56.514 -2.509 2
1 668 . 1 1 A 60 60 LYS HA H 60 4.458 4.349 0.109 2
1 669 . 1 1 A 60 60 LYS CB C 60 32.573 33.922 -1.349 2
1 681 . 1 1 A 60 60 LYS C C 60 176.936 175.545 1.391 2
1 682 . 1 1 A 61 61 LYS N N 61 121.877 119.830 2.047 2
1 683 . 1 1 A 61 61 LYS H H 61 9.069 8.749 0.320 2
1 684 . 1 1 A 61 61 LYS CA C 61 53.421 54.329 -0.908 2
1 685 . 1 1 A 61 61 LYS HA H 61 4.517 4.968 -0.451 2
1 686 . 1 1 A 61 61 LYS CB C 61 35.816 36.426 -0.610 2
1 698 . 1 1 A 61 61 LYS C C 61 175.049 176.077 -1.028 2
1 699 . 1 1 A 62 62 SER N N 62 114.153 117.269 -3.116 2
1 700 . 1 1 A 62 62 SER H H 62 8.524 8.576 -0.052 2
1 701 . 1 1 A 62 62 SER CA C 62 60.959 60.128 0.831 2
1 702 . 1 1 A 62 62 SER HA H 62 3.954 4.348 -0.394 2
1 703 . 1 1 A 62 62 SER CB C 62 64.374 62.809 1.565 2
1 706 . 1 1 A 62 62 SER C C 62 175.660 175.231 0.429 2
1 707 . 1 1 A 63 63 GLY N N 63 111.615 113.253 -1.638 2
1 708 . 1 1 A 63 63 GLY H H 63 9.308 8.620 0.688 2
1 709 . 1 1 A 63 63 GLY CA C 63 44.971 45.229 -0.258 2
1 710 . 1 1 A 63 63 GLY HA2 H 63 4.188 3.999 0.189 2
1 711 . 1 1 A 63 63 GLY HA3 H 63 4.188 4.003 0.185 2
1 712 . 1 1 A 63 63 GLY C C 63 172.420 174.033 -1.613 2
1 713 . 1 1 A 64 64 GLU N N 64 117.287 120.379 -3.092 2
1 714 . 1 1 A 64 64 GLU H H 64 7.909 7.994 -0.085 2
1 715 . 1 1 A 64 64 GLU CA C 64 53.972 55.094 -1.122 2
1 716 . 1 1 A 64 64 GLU HA H 64 4.549 4.755 -0.206 2
1 717 . 1 1 A 64 64 GLU CB C 64 32.449 32.186 0.263 2
1 723 . 1 1 A 64 64 GLU C C 64 174.611 174.868 -0.257 2
1 724 . 1 1 A 65 65 VAL N N 65 118.093 121.470 -3.377 2
1 725 . 1 1 A 65 65 VAL H H 65 8.337 8.885 -0.548 2
1 726 . 1 1 A 65 65 VAL CA C 65 59.380 59.723 -0.343 2
1 727 . 1 1 A 65 65 VAL HA H 65 5.149 4.994 0.155 2
1 728 . 1 1 A 65 65 VAL CB C 65 35.892 35.480 0.412 2
1 738 . 1 1 A 65 65 VAL C C 65 172.013 173.584 -1.571 2
1 739 . 1 1 A 66 66 ALA N N 66 130.790 129.788 1.002 2
1 740 . 1 1 A 66 66 ALA H H 66 8.876 8.664 0.212 2
1 741 . 1 1 A 66 66 ALA CA C 66 50.170 50.498 -0.328 2
1 742 . 1 1 A 66 66 ALA HA H 66 4.879 5.371 -0.492 2
1 743 . 1 1 A 66 66 ALA CB C 66 21.291 21.373 -0.082 2
1 747 . 1 1 A 66 66 ALA C C 66 175.997 176.258 -0.261 2
1 748 . 1 1 A 67 67 VAL N N 67 119.453 121.538 -2.085 2
1 749 . 1 1 A 67 67 VAL H H 67 8.615 8.575 0.040 2
1 750 . 1 1 A 67 67 VAL CA C 67 61.078 60.974 0.104 2
1 751 . 1 1 A 67 67 VAL HA H 67 5.255 5.060 0.195 2
1 752 . 1 1 A 67 67 VAL CB C 67 36.283 34.411 1.872 2
1 762 . 1 1 A 67 67 VAL C C 67 176.213 174.438 1.775 2
1 763 . 1 1 A 68 68 LEU N N 68 126.404 128.568 -2.164 2
1 764 . 1 1 A 68 68 LEU H H 68 9.013 8.611 0.402 2
1 765 . 1 1 A 68 68 LEU CA C 68 53.424 53.864 -0.440 2
1 766 . 1 1 A 68 68 LEU HA H 68 4.809 5.006 -0.197 2
1 767 . 1 1 A 68 68 LEU CB C 68 46.473 45.942 0.531 2
1 780 . 1 1 A 68 68 LEU C C 68 174.704 174.409 0.295 2
1 781 . 1 1 A 69 69 LYS N N 69 123.462 128.033 -4.571 2
1 782 . 1 1 A 69 69 LYS H H 69 8.756 8.939 -0.183 2
1 783 . 1 1 A 69 69 LYS CA C 69 55.228 55.650 -0.422 2
1 784 . 1 1 A 69 69 LYS HA H 69 4.791 4.962 -0.171 2
1 785 . 1 1 A 69 69 LYS CB C 69 33.820 33.108 0.712 2
1 797 . 1 1 A 69 69 LYS C C 69 177.387 175.536 1.851 2
1 798 . 1 1 A 70 70 ARG N N 70 127.852 126.600 1.252 2
1 799 . 1 1 A 70 70 ARG H H 70 8.688 8.567 0.121 2
1 800 . 1 1 A 70 70 ARG CA C 70 52.929 55.658 -2.729 2
1 801 . 1 1 A 70 70 ARG CB C 70 34.028 32.791 1.238 2
1 809 . 1 1 A 70 70 ARG C C 70 175.460 175.806 -0.346 2
1 810 . 1 1 A 71 71 ASP CA C 71 55.193 54.568 0.625 2
1 811 . 1 1 A 71 71 ASP HA H 71 4.268 4.520 -0.252 2
1 812 . 1 1 A 71 71 ASP CB C 71 40.326 40.351 -0.025 2
1 815 . 1 1 A 71 71 ASP C C 71 175.970 176.065 -0.095 2
1 816 . 1 1 A 72 72 GLY N N 72 104.319 107.035 -2.716 2
1 817 . 1 1 A 72 72 GLY H H 72 8.642 8.406 0.236 2
1 818 . 1 1 A 72 72 GLY CA C 72 45.692 46.504 -0.812 2
1 819 . 1 1 A 72 72 GLY HA2 H 72 4.062 3.854 0.208 2
1 820 . 1 1 A 72 72 GLY HA3 H 72 3.516 3.877 -0.361 2
1 821 . 1 1 A 72 72 GLY C C 72 172.604 173.398 -0.794 2
1 822 . 1 1 A 73 73 ARG N N 73 118.257 115.342 2.915 2
1 823 . 1 1 A 73 73 ARG H H 73 7.794 7.434 0.360 2
1 824 . 1 1 A 73 73 ARG CA C 73 52.893 54.086 -1.193 2
1 825 . 1 1 A 73 73 ARG HA H 73 4.560 4.439 0.121 2
1 826 . 1 1 A 73 73 ARG CB C 73 31.831 32.749 -0.918 2
1 837 . 1 1 A 73 73 ARG C C 73 173.057 173.618 -0.561 2
1 838 . 1 1 A 74 74 TYR N N 74 117.830 119.022 -1.192 2
1 839 . 1 1 A 74 74 TYR H H 74 8.366 8.277 0.089 2
1 840 . 1 1 A 74 74 TYR CA C 74 57.987 56.661 1.326 2
1 841 . 1 1 A 74 74 TYR HA H 74 5.005 5.141 -0.136 2
1 842 . 1 1 A 74 74 TYR CB C 74 40.473 39.181 1.292 2
1 853 . 1 1 A 74 74 TYR C C 74 173.530 174.643 -1.113 2
1 854 . 1 1 A 75 75 ILE N N 75 120.880 125.033 -4.153 2
1 855 . 1 1 A 75 75 ILE H H 75 8.923 8.756 0.167 2
1 856 . 1 1 A 75 75 ILE CA C 75 59.632 60.752 -1.120 2
1 857 . 1 1 A 75 75 ILE HA H 75 4.398 4.419 -0.021 2
1 858 . 1 1 A 75 75 ILE CB C 75 37.608 38.086 -0.478 2
1 871 . 1 1 A 75 75 ILE C C 75 174.203 174.981 -0.778 2
1 872 . 1 1 A 76 76 TYR N N 76 125.586 127.698 -2.112 2
1 873 . 1 1 A 76 76 TYR H H 76 9.540 9.043 0.497 2
1 874 . 1 1 A 76 76 TYR CA C 76 59.137 56.697 2.440 2
1 875 . 1 1 A 76 76 TYR HA H 76 4.630 5.556 -0.927 2
1 876 . 1 1 A 76 76 TYR CB C 76 39.909 41.182 -1.273 2
1 887 . 1 1 A 76 76 TYR C C 76 174.280 174.812 -0.532 2
1 888 . 1 1 A 77 77 TYR N N 77 123.524 121.640 1.884 2
1 889 . 1 1 A 77 77 TYR H H 77 9.221 9.005 0.216 2
1 890 . 1 1 A 77 77 TYR CA C 77 55.476 56.398 -0.922 2
1 891 . 1 1 A 77 77 TYR HA H 77 4.155 5.276 -1.121 2
1 892 . 1 1 A 77 77 TYR CB C 77 35.926 39.411 -3.485 2
1 903 . 1 1 A 77 77 TYR C C 77 174.236 175.068 -0.832 2
1 904 . 1 1 A 78 78 LEU N N 78 123.875 125.877 -2.002 2
1 905 . 1 1 A 78 78 LEU H H 78 8.948 8.666 0.282 2
1 906 . 1 1 A 78 78 LEU CA C 78 55.635 55.739 -0.104 2
1 907 . 1 1 A 78 78 LEU HA H 78 4.134 4.396 -0.262 2
1 908 . 1 1 A 78 78 LEU CB C 78 40.856 41.879 -1.023 2
1 921 . 1 1 A 78 78 LEU C C 78 175.294 176.285 -0.991 2
1 922 . 1 1 A 79 79 ILE N N 79 127.986 125.257 2.729 2
1 923 . 1 1 A 79 79 ILE H H 79 8.322 8.537 -0.215 2
1 924 . 1 1 A 79 79 ILE CA C 79 59.349 60.410 -1.061 2
1 925 . 1 1 A 79 79 ILE HA H 79 4.372 4.655 -0.283 2
1 926 . 1 1 A 79 79 ILE CB C 79 34.277 38.674 -4.397 2
1 939 . 1 1 A 79 79 ILE C C 79 176.505 176.232 0.273 2
1 940 . 1 1 A 80 80 THR N N 80 113.978 118.381 -4.403 2
1 941 . 1 1 A 80 80 THR H H 80 8.276 8.731 -0.455 2
1 942 . 1 1 A 80 80 THR CA C 80 61.646 62.165 -0.519 2
1 943 . 1 1 A 80 80 THR HA H 80 4.334 4.588 -0.254 2
1 944 . 1 1 A 80 80 THR CB C 80 69.165 70.034 -0.869 2
1 950 . 1 1 A 80 80 THR C C 80 172.999 174.258 -1.259 2
1 951 . 1 1 A 81 81 LYS N N 81 114.856 119.510 -4.654 2
1 952 . 1 1 A 81 81 LYS H H 81 7.512 7.593 -0.081 2
1 953 . 1 1 A 81 81 LYS CA C 81 54.894 54.703 0.191 2
1 954 . 1 1 A 81 81 LYS HA H 81 4.649 4.819 -0.170 2
1 955 . 1 1 A 81 81 LYS CB C 81 34.139 34.780 -0.641 2
1 964 . 1 1 A 81 81 LYS C C 81 175.344 176.339 -0.995 2
1 965 . 1 1 A 82 82 LYS N N 82 121.209 119.590 1.619 2
1 966 . 1 1 A 82 82 LYS H H 82 9.577 8.903 0.674 2
1 967 . 1 1 A 82 82 LYS CA C 82 60.198 57.595 2.603 2
1 968 . 1 1 A 82 82 LYS HA H 82 3.884 4.434 -0.550 2
1 969 . 1 1 A 82 82 LYS CB C 82 33.603 33.678 -0.075 2
1 981 . 1 1 A 82 82 LYS C C 82 176.049 176.606 -0.557 2
1 982 . 1 1 A 83 83 ARG N N 83 112.456 117.007 -4.551 2
1 983 . 1 1 A 83 83 ARG H H 83 6.717 7.786 -1.069 2
1 984 . 1 1 A 83 83 ARG CA C 83 52.451 54.259 -1.808 2
1 985 . 1 1 A 83 83 ARG HA H 83 4.691 4.751 -0.060 2
1 986 . 1 1 A 83 83 ARG CB C 83 32.857 33.370 -0.514 2
1 995 . 1 1 A 83 83 ARG C C 83 177.299 176.421 0.878 2
1 996 . 1 1 A 84 84 ALA N N 84 124.857 124.857 -0.000 2
1 997 . 1 1 A 84 84 ALA H H 84 9.290 8.899 0.391 2
1 998 . 1 1 A 84 84 ALA CA C 84 56.005 55.571 0.434 2
1 999 . 1 1 A 84 84 ALA HA H 84 3.895 3.987 -0.092 2
1 1000 . 1 1 A 84 84 ALA CB C 84 19.175 18.271 0.904 2
1 1004 . 1 1 A 84 84 ALA C C 84 178.350 179.431 -1.081 2
1 1005 . 1 1 A 85 85 SER CA C 85 58.631 61.406 -2.775 2
1 1006 . 1 1 A 85 85 SER HA H 85 4.338 4.059 0.279 2
1 1007 . 1 1 A 85 85 SER CB C 85 63.277 62.859 0.418 2
1 1010 . 1 1 A 85 85 SER C C 85 175.469 174.532 0.937 2
1 1011 . 1 1 A 86 86 HIS N N 86 121.978 117.345 4.633 2
1 1012 . 1 1 A 86 86 HIS H H 86 7.560 7.870 -0.310 2
1 1013 . 1 1 A 86 86 HIS CA C 86 54.468 55.472 -1.004 2
1 1014 . 1 1 A 86 86 HIS HA H 86 4.766 4.808 -0.042 2
1 1015 . 1 1 A 86 86 HIS CB C 86 33.069 30.954 2.115 2
1 1022 . 1 1 A 86 86 HIS C C 86 174.466 174.953 -0.487 2
1 1023 . 1 1 A 87 87 LYS N N 87 122.014 123.577 -1.563 2
1 1024 . 1 1 A 87 87 LYS H H 87 8.693 8.612 0.081 2
1 1025 . 1 1 A 87 87 LYS CA C 87 53.283 53.869 -0.586 2
1 1026 . 1 1 A 87 87 LYS HA H 87 4.792 4.577 0.215 2
1 1027 . 1 1 A 87 87 LYS CB C 87 32.803 32.309 0.494 2
1 1037 . 1 1 A 87 87 LYS C C 87 175.072 174.433 0.639 2
1 1038 . 1 1 A 88 88 PRO CA C 88 62.515 62.678 -0.163 2
1 1039 . 1 1 A 88 88 PRO HA H 88 4.796 4.687 0.109 2
1 1040 . 1 1 A 88 88 PRO CB C 88 32.687 32.528 0.159 2
1 1049 . 1 1 A 88 88 PRO C C 88 175.319 176.260 -0.941 2
1 1050 . 1 1 A 89 89 THR N N 89 107.501 112.211 -4.710 2
1 1051 . 1 1 A 89 89 THR H H 89 7.933 8.222 -0.289 2
1 1052 . 1 1 A 89 89 THR CA C 89 58.518 59.788 -1.270 2
1 1053 . 1 1 A 89 89 THR HA H 89 4.758 4.638 0.120 2
1 1054 . 1 1 A 89 89 THR CB C 89 70.861 71.481 -0.620 2
1 1060 . 1 1 A 89 89 THR C C 89 175.662 175.217 0.445 2
1 1061 . 1 1 A 90 90 TYR N N 90 120.845 123.922 -3.077 2
1 1062 . 1 1 A 90 90 TYR H H 90 8.751 8.921 -0.170 2
1 1063 . 1 1 A 90 90 TYR CA C 90 63.195 61.280 1.915 2
1 1064 . 1 1 A 90 90 TYR HA H 90 4.064 4.182 -0.118 2
1 1065 . 1 1 A 90 90 TYR CB C 90 37.372 38.096 -0.724 2
1 1076 . 1 1 A 90 90 TYR C C 90 178.063 178.081 -0.018 2
1 1077 . 1 1 A 91 91 GLU N N 91 118.210 120.325 -2.115 2
1 1078 . 1 1 A 91 91 GLU H H 91 8.857 8.384 0.473 2
1 1079 . 1 1 A 91 91 GLU CA C 91 60.312 59.722 0.590 2
1 1080 . 1 1 A 91 91 GLU HA H 91 4.114 4.012 0.102 2
1 1081 . 1 1 A 91 91 GLU CB C 91 29.276 29.163 0.113 2
1 1087 . 1 1 A 91 91 GLU C C 91 178.970 179.123 -0.153 2
1 1088 . 1 1 A 92 92 ASN N N 92 117.220 118.433 -1.213 2
1 1089 . 1 1 A 92 92 ASN H H 92 7.894 7.946 -0.052 2
1 1090 . 1 1 A 92 92 ASN CA C 92 55.334 56.395 -1.061 2
1 1091 . 1 1 A 92 92 ASN HA H 92 4.696 4.499 0.197 2
1 1092 . 1 1 A 92 92 ASN CB C 92 37.704 38.186 -0.482 2
1 1098 . 1 1 A 92 92 ASN C C 92 178.155 177.790 0.365 2
1 1099 . 1 1 A 93 93 LEU N N 93 121.622 121.393 0.229 2
1 1100 . 1 1 A 93 93 LEU H H 93 8.038 8.153 -0.115 2
1 1101 . 1 1 A 93 93 LEU CA C 93 58.495 58.897 -0.402 2
1 1102 . 1 1 A 93 93 LEU HA H 93 4.092 3.993 0.099 2
1 1103 . 1 1 A 93 93 LEU CB C 93 41.383 41.948 -0.565 2
1 1116 . 1 1 A 93 93 LEU C C 93 177.808 178.528 -0.720 2
1 1117 . 1 1 A 94 94 GLN N N 94 120.352 118.288 2.064 2
1 1118 . 1 1 A 94 94 GLN H H 94 8.792 8.088 0.704 2
1 1119 . 1 1 A 94 94 GLN CA C 94 61.099 59.320 1.779 2
1 1120 . 1 1 A 94 94 GLN HA H 94 3.721 3.987 -0.266 2
1 1121 . 1 1 A 94 94 GLN CB C 94 27.560 28.753 -1.193 2
1 1130 . 1 1 A 94 94 GLN C C 94 178.042 178.350 -0.308 2
1 1131 . 1 1 A 95 95 LYS N N 95 117.824 118.537 -0.713 2
1 1132 . 1 1 A 95 95 LYS H H 95 7.803 7.736 0.067 2
1 1133 . 1 1 A 95 95 LYS CA C 95 60.222 59.392 0.830 2
1 1134 . 1 1 A 95 95 LYS HA H 95 4.012 3.977 0.035 2
1 1135 . 1 1 A 95 95 LYS CB C 95 33.168 32.325 0.843 2
1 1147 . 1 1 A 95 95 LYS C C 95 179.868 179.177 0.691 2
1 1148 . 1 1 A 96 96 SER N N 96 118.301 115.742 2.559 2
1 1149 . 1 1 A 96 96 SER H H 96 8.251 8.238 0.013 2
1 1150 . 1 1 A 96 96 SER CA C 96 63.668 62.265 1.403 2
1 1151 . 1 1 A 96 96 SER HA H 96 3.710 4.167 -0.457 2
1 1152 . 1 1 A 96 96 SER CB C 96 62.882 62.761 0.121 2
1 1155 . 1 1 A 96 96 SER C C 96 176.400 176.616 -0.216 2
1 1156 . 1 1 A 97 97 LEU N N 97 122.701 121.335 1.366 2
1 1157 . 1 1 A 97 97 LEU H H 97 8.467 8.232 0.235 2
1 1158 . 1 1 A 97 97 LEU CA C 97 58.323 57.925 0.398 2
1 1159 . 1 1 A 97 97 LEU HA H 97 3.861 4.027 -0.167 2
1 1160 . 1 1 A 97 97 LEU CB C 97 42.995 41.346 1.649 2
1 1173 . 1 1 A 97 97 LEU C C 97 178.941 179.410 -0.469 2
1 1174 . 1 1 A 98 98 GLU N N 98 119.918 119.129 0.789 2
1 1175 . 1 1 A 98 98 GLU H H 98 8.410 8.372 0.038 2
1 1176 . 1 1 A 98 98 GLU CA C 98 59.561 59.279 0.282 2
1 1177 . 1 1 A 98 98 GLU HA H 98 3.622 3.918 -0.296 2
1 1178 . 1 1 A 98 98 GLU CB C 98 29.142 28.901 0.241 2
1 1184 . 1 1 A 98 98 GLU C C 98 179.137 178.606 0.532 2
1 1185 . 1 1 A 99 99 ALA N N 99 124.193 122.729 1.464 2
1 1186 . 1 1 A 99 99 ALA H H 99 8.197 8.028 0.169 2
1 1187 . 1 1 A 99 99 ALA CA C 99 55.016 54.788 0.228 2
1 1188 . 1 1 A 99 99 ALA HA H 99 4.247 4.144 0.103 2
1 1189 . 1 1 A 99 99 ALA CB C 99 17.815 18.423 -0.608 2
1 1193 . 1 1 A 99 99 ALA C C 99 181.133 179.471 1.662 2
1 1194 . 1 1 A 100 100 MET N N 100 122.009 118.371 3.638 2
1 1195 . 1 1 A 100 100 MET H H 100 8.482 7.995 0.487 2
1 1196 . 1 1 A 100 100 MET CA C 100 59.826 58.181 1.645 2
1 1197 . 1 1 A 100 100 MET HA H 100 3.714 4.019 -0.305 2
1 1198 . 1 1 A 100 100 MET CB C 100 32.944 32.192 0.752 2
1 1208 . 1 1 A 100 100 MET C C 100 176.658 177.844 -1.186 2
1 1209 . 1 1 A 101 101 LYS N N 101 120.991 118.557 2.434 2
1 1210 . 1 1 A 101 101 LYS H H 101 8.721 7.719 1.002 2
1 1211 . 1 1 A 101 101 LYS CA C 101 60.563 58.820 1.743 2
1 1212 . 1 1 A 101 101 LYS HA H 101 3.614 4.005 -0.391 2
1 1213 . 1 1 A 101 101 LYS CB C 101 30.759 31.984 -1.225 2
1 1225 . 1 1 A 101 101 LYS C C 101 177.419 178.304 -0.885 2
1 1226 . 1 1 A 102 102 SER N N 102 111.833 114.636 -2.803 2
1 1227 . 1 1 A 102 102 SER H H 102 8.005 7.791 0.214 2
1 1228 . 1 1 A 102 102 SER CA C 102 61.993 61.618 0.375 2
1 1229 . 1 1 A 102 102 SER HA H 102 4.082 4.103 -0.021 2
1 1230 . 1 1 A 102 102 SER CB C 102 62.863 63.077 -0.214 2
1 1233 . 1 1 A 102 102 SER C C 102 176.601 176.911 -0.310 2
1 1234 . 1 1 A 103 103 HIS N N 103 121.793 120.805 0.988 2
1 1235 . 1 1 A 103 103 HIS H H 103 7.605 7.949 -0.344 2
1 1236 . 1 1 A 103 103 HIS CA C 103 62.090 59.730 2.360 2
1 1237 . 1 1 A 103 103 HIS HA H 103 4.000 4.291 -0.291 2
1 1238 . 1 1 A 103 103 HIS CB C 103 30.652 29.942 0.710 2
1 1245 . 1 1 A 103 103 HIS C C 103 179.129 176.646 2.483 2
1 1246 . 1 1 A 104 104 CYS N N 104 119.421 116.634 2.787 2
1 1247 . 1 1 A 104 104 CYS H H 104 9.261 7.885 1.376 2
1 1248 . 1 1 A 104 104 CYS CA C 104 63.841 63.654 0.187 2
1 1249 . 1 1 A 104 104 CYS HA H 104 4.105 4.202 -0.097 2
1 1250 . 1 1 A 104 104 CYS CB C 104 27.916 27.111 0.805 2
1 1253 . 1 1 A 104 104 CYS C C 104 178.176 177.367 0.809 2
1 1254 . 1 1 A 105 105 LEU N N 105 117.129 120.603 -3.474 2
1 1255 . 1 1 A 105 105 LEU H H 105 8.331 7.902 0.429 2
1 1256 . 1 1 A 105 105 LEU CA C 105 57.262 58.098 -0.836 2
1 1257 . 1 1 A 105 105 LEU HA H 105 4.245 3.957 0.288 2
1 1258 . 1 1 A 105 105 LEU CB C 105 42.030 41.819 0.211 2
1 1271 . 1 1 A 105 105 LEU C C 105 180.635 178.993 1.642 2
1 1272 . 1 1 A 106 106 LYS N N 106 118.583 116.839 1.744 2
1 1273 . 1 1 A 106 106 LYS H H 106 7.638 8.063 -0.425 2
1 1274 . 1 1 A 106 106 LYS CA C 106 58.075 60.142 -2.067 2
1 1275 . 1 1 A 106 106 LYS HA H 106 4.140 3.877 0.263 2
1 1276 . 1 1 A 106 106 LYS CB C 106 33.191 32.246 0.945 2
1 1288 . 1 1 A 106 106 LYS C C 106 177.466 178.834 -1.368 2
1 1289 . 1 1 A 107 107 ASN N N 107 113.320 114.801 -1.481 2
1 1290 . 1 1 A 107 107 ASN H H 107 7.606 7.883 -0.277 2
1 1291 . 1 1 A 107 107 ASN CA C 107 53.813 54.864 -1.051 2
1 1292 . 1 1 A 107 107 ASN HA H 107 4.841 4.562 0.279 2
1 1293 . 1 1 A 107 107 ASN CB C 107 39.785 38.443 1.342 2
1 1299 . 1 1 A 107 107 ASN C C 107 174.443 175.772 -1.329 2
1 1300 . 1 1 A 108 108 GLY N N 108 109.386 106.023 3.363 2
1 1301 . 1 1 A 108 108 GLY H H 108 7.667 7.892 -0.225 2
1 1302 . 1 1 A 108 108 GLY CA C 108 47.252 45.176 2.076 2
1 1303 . 1 1 A 108 108 GLY HA2 H 108 4.023 4.109 -0.086 2
1 1304 . 1 1 A 108 108 GLY HA3 H 108 4.023 4.118 -0.095 2
1 1305 . 1 1 A 108 108 GLY C C 108 174.436 174.411 0.025 2
1 1306 . 1 1 A 109 109 VAL N N 109 122.758 120.815 1.943 2
1 1307 . 1 1 A 109 109 VAL H H 109 8.480 8.221 0.259 2
1 1308 . 1 1 A 109 109 VAL CA C 109 63.788 61.771 2.017 2
1 1309 . 1 1 A 109 109 VAL HA H 109 4.094 4.353 -0.259 2
1 1310 . 1 1 A 109 109 VAL CB C 109 32.931 31.861 1.070 2
1 1320 . 1 1 A 109 109 VAL C C 109 176.089 175.828 0.261 2
1 1321 . 1 1 A 110 110 THR N N 110 115.431 121.243 -5.812 2
1 1322 . 1 1 A 110 110 THR H H 110 8.995 8.865 0.130 2
1 1323 . 1 1 A 110 110 THR CA C 110 62.045 62.558 -0.513 2
1 1324 . 1 1 A 110 110 THR HA H 110 4.515 4.568 -0.053 2
1 1325 . 1 1 A 110 110 THR CB C 110 70.758 69.924 0.834 2
1 1331 . 1 1 A 110 110 THR C C 110 173.700 173.751 -0.051 2
1 1332 . 1 1 A 111 111 ASP N N 111 123.757 120.275 3.482 2
1 1333 . 1 1 A 111 111 ASP H H 111 8.123 7.843 0.280 2
1 1334 . 1 1 A 111 111 ASP CA C 111 54.747 53.286 1.461 2
1 1335 . 1 1 A 111 111 ASP HA H 111 5.527 5.258 0.269 2
1 1336 . 1 1 A 111 111 ASP CB C 111 43.928 43.372 0.556 2
1 1339 . 1 1 A 111 111 ASP C C 111 172.807 174.695 -1.888 2
1 1340 . 1 1 A 112 112 LEU N N 112 123.145 125.331 -2.186 2
1 1341 . 1 1 A 112 112 LEU H H 112 8.671 8.807 -0.136 2
1 1342 . 1 1 A 112 112 LEU CA C 112 52.953 53.860 -0.907 2
1 1343 . 1 1 A 112 112 LEU HA H 112 5.213 5.141 0.072 2
1 1344 . 1 1 A 112 112 LEU CB C 112 47.875 46.598 1.277 2
1 1357 . 1 1 A 112 112 LEU C C 112 176.803 174.204 2.599 2
1 1358 . 1 1 A 113 113 SER N N 113 122.973 120.424 2.549 2
1 1359 . 1 1 A 113 113 SER H H 113 9.473 8.711 0.762 2
1 1360 . 1 1 A 113 113 SER CA C 113 59.207 57.142 2.065 2
1 1361 . 1 1 A 113 113 SER HA H 113 6.070 5.551 0.519 2
1 1362 . 1 1 A 113 113 SER CB C 113 67.023 65.801 1.222 2
1 1365 . 1 1 A 113 113 SER C C 113 172.066 173.186 -1.120 2
1 1366 . 1 1 A 114 114 MET N N 114 118.476 122.065 -3.589 2
1 1367 . 1 1 A 114 114 MET H H 114 9.080 8.849 0.231 2
1 1368 . 1 1 A 114 114 MET CA C 114 54.007 53.221 0.786 2
1 1369 . 1 1 A 114 114 MET HA H 114 5.435 5.191 0.244 2
1 1370 . 1 1 A 114 114 MET CB C 114 34.867 35.727 -0.860 2
1 1380 . 1 1 A 114 114 MET C C 114 172.934 174.314 -1.380 2
1 1381 . 1 1 A 115 115 PRO CA C 115 62.262 62.285 -0.023 2
1 1382 . 1 1 A 115 115 PRO HA H 115 5.593 4.674 0.919 2
1 1383 . 1 1 A 115 115 PRO CB C 115 32.748 33.239 -0.491 2
1 1392 . 1 1 A 115 115 PRO C C 115 175.547 176.073 -0.526 2
1 1393 . 1 1 A 116 116 ARG N N 116 116.821 120.746 -3.925 2
1 1394 . 1 1 A 116 116 ARG H H 116 8.348 8.463 -0.115 2
1 1395 . 1 1 A 116 116 ARG CA C 116 55.785 56.131 -0.346 2
1 1396 . 1 1 A 116 116 ARG HA H 116 3.896 4.202 -0.306 2
1 1397 . 1 1 A 116 116 ARG CB C 116 27.344 30.502 -3.158 2
1 1406 . 1 1 A 116 116 ARG C C 116 176.796 176.079 0.717 2
1 1407 . 1 1 A 117 117 ILE N N 117 122.887 119.915 2.972 2
1 1408 . 1 1 A 117 117 ILE H H 117 7.989 8.586 -0.597 2
1 1409 . 1 1 A 117 117 ILE CA C 117 63.148 59.203 3.945 2
1 1410 . 1 1 A 117 117 ILE HA H 117 4.028 4.915 -0.887 2
1 1411 . 1 1 A 117 117 ILE CB C 117 40.010 40.613 -0.603 2
1 1424 . 1 1 A 117 117 ILE C C 117 174.324 175.721 -1.397 2
1 1425 . 1 1 A 118 118 GLY N N 118 107.320 112.522 -5.202 2
1 1426 . 1 1 A 118 118 GLY H H 118 8.662 8.682 -0.020 2
1 1427 . 1 1 A 118 118 GLY CA C 118 45.752 46.029 -0.277 2
1 1428 . 1 1 A 118 118 GLY HA2 H 118 3.693 4.080 -0.387 2
1 1429 . 1 1 A 118 118 GLY HA3 H 118 4.226 4.134 0.092 2
1 1430 . 1 1 A 118 118 GLY C C 118 172.861 174.543 -1.682 2
1 1431 . 1 1 A 119 119 CYS N N 119 115.336 118.821 -3.485 2
1 1432 . 1 1 A 119 119 CYS H H 119 7.445 7.939 -0.494 2
1 1433 . 1 1 A 119 119 CYS CA C 119 58.753 59.752 -0.999 2
1 1434 . 1 1 A 119 119 CYS HA H 119 4.831 4.566 0.265 2
1 1435 . 1 1 A 119 119 CYS CB C 119 28.840 28.618 0.222 2
1 1438 . 1 1 A 121 121 LEU CA C 121 57.692 57.779 -0.087 2
1 1439 . 1 1 A 121 121 LEU HA H 121 4.152 4.042 0.110 2
1 1440 . 1 1 A 121 121 LEU CB C 121 41.644 41.952 -0.308 2
1 1453 . 1 1 A 123 123 ARG N N 123 107.909 120.200 -12.291 2
1 1454 . 1 1 A 123 123 ARG H H 123 7.536 8.273 -0.737 2
1 1455 . 1 1 A 123 123 ARG CA C 123 57.775 58.406 -0.631 2
1 1456 . 1 1 A 123 123 ARG HA H 123 3.989 4.097 -0.108 2
1 1457 . 1 1 A 123 123 ARG CB C 123 28.219 29.970 -1.751 2
1 1466 . 1 1 A 123 123 ARG C C 123 176.088 176.394 -0.306 2
1 1467 . 1 1 A 124 124 LEU N N 124 118.876 119.610 -0.734 2
1 1468 . 1 1 A 124 124 LEU H H 124 8.401 7.636 0.765 2
1 1469 . 1 1 A 124 124 LEU CA C 124 54.573 53.968 0.605 2
1 1470 . 1 1 A 124 124 LEU HA H 124 4.533 4.752 -0.219 2
1 1471 . 1 1 A 124 124 LEU CB C 124 39.785 44.416 -4.631 2
1 1484 . 1 1 A 124 124 LEU C C 124 175.551 175.844 -0.293 2
1 1485 . 1 1 A 125 125 GLN N N 125 116.713 119.020 -2.307 2
1 1486 . 1 1 A 125 125 GLN H H 125 7.779 8.756 -0.977 2
1 1487 . 1 1 A 125 125 GLN CA C 125 54.609 54.339 0.270 2
1 1488 . 1 1 A 125 125 GLN HA H 125 4.794 5.083 -0.289 2
1 1489 . 1 1 A 125 125 GLN CB C 125 30.327 31.746 -1.419 2
1 1498 . 1 1 A 125 125 GLN C C 125 177.722 176.114 1.608 2
1 1499 . 1 1 A 126 126 TRP N N 126 128.887 126.500 2.387 2
1 1500 . 1 1 A 126 126 TRP H H 126 9.755 9.141 0.614 2
1 1501 . 1 1 A 126 126 TRP CA C 126 59.962 61.220 -1.258 2
1 1502 . 1 1 A 126 126 TRP HA H 126 4.545 4.267 0.278 2
1 1503 . 1 1 A 126 126 TRP CB C 126 30.009 30.296 -0.287 2
1 1518 . 1 1 A 126 126 TRP C C 126 177.057 178.110 -1.053 2
1 1519 . 1 1 A 127 127 GLU N N 127 119.568 118.612 0.956 2
1 1520 . 1 1 A 127 127 GLU H H 127 9.946 8.456 1.490 2
1 1521 . 1 1 A 127 127 GLU CA C 127 60.623 59.789 0.834 2
1 1522 . 1 1 A 127 127 GLU HA H 127 3.780 3.897 -0.117 2
1 1523 . 1 1 A 127 127 GLU CB C 127 28.594 29.293 -0.699 2
1 1529 . 1 1 A 127 127 GLU C C 127 177.905 179.006 -1.102 2
1 1530 . 1 1 A 128 128 ASN N N 128 115.229 117.903 -2.674 2
1 1531 . 1 1 A 128 128 ASN H H 128 7.159 7.904 -0.745 2
1 1532 . 1 1 A 128 128 ASN CA C 128 55.370 55.775 -0.405 2
1 1533 . 1 1 A 128 128 ASN HA H 128 4.446 4.396 0.050 2
1 1534 . 1 1 A 128 128 ASN CB C 128 38.522 38.244 0.278 2
1 1540 . 1 1 A 128 128 ASN C C 128 177.374 177.688 -0.314 2
1 1541 . 1 1 A 129 129 VAL N N 129 122.487 119.887 2.600 2
1 1542 . 1 1 A 129 129 VAL H H 129 8.033 7.724 0.309 2
1 1543 . 1 1 A 129 129 VAL CA C 129 67.289 66.791 0.498 2
1 1544 . 1 1 A 129 129 VAL HA H 129 3.489 3.534 -0.045 2
1 1545 . 1 1 A 129 129 VAL CB C 129 31.824 31.494 0.330 2
1 1555 . 1 1 A 129 129 VAL C C 129 177.209 177.569 -0.360 2
1 1556 . 1 1 A 130 130 SER N N 130 115.189 113.808 1.381 2
1 1557 . 1 1 A 130 130 SER H H 130 8.550 7.986 0.564 2
1 1558 . 1 1 A 130 130 SER CA C 130 61.477 60.754 0.723 2
1 1559 . 1 1 A 130 130 SER HA H 130 3.151 3.586 -0.435 2
1 1560 . 1 1 A 130 130 SER CB C 130 61.348 61.881 -0.533 2
1 1563 . 1 1 A 130 130 SER C C 130 175.971 176.658 -0.687 2
1 1564 . 1 1 A 131 131 ALA N N 131 123.596 123.692 -0.096 2
1 1565 . 1 1 A 131 131 ALA H H 131 6.551 7.713 -1.162 2
1 1566 . 1 1 A 131 131 ALA CA C 131 54.947 55.084 -0.137 2
1 1567 . 1 1 A 131 131 ALA HA H 131 4.079 3.929 0.150 2
1 1568 . 1 1 A 131 131 ALA CB C 131 18.023 18.025 -0.002 2
1 1572 . 1 1 A 131 131 ALA C C 131 179.947 180.020 -0.073 2
1 1573 . 1 1 A 132 132 MET N N 132 119.410 116.450 2.960 2
1 1574 . 1 1 A 132 132 MET H H 132 7.442 8.084 -0.641 2
1 1575 . 1 1 A 132 132 MET CA C 132 58.917 58.443 0.474 2
1 1576 . 1 1 A 132 132 MET HA H 132 4.118 4.173 -0.055 2
1 1577 . 1 1 A 132 132 MET CB C 132 33.984 32.449 1.535 2
1 1587 . 1 1 A 132 132 MET C C 132 178.019 178.918 -0.899 2
1 1588 . 1 1 A 133 133 ILE N N 133 120.265 119.817 0.448 2
1 1589 . 1 1 A 133 133 ILE H H 133 8.554 7.802 0.752 2
1 1590 . 1 1 A 133 133 ILE CA C 133 66.859 64.974 1.885 2
1 1591 . 1 1 A 133 133 ILE HA H 133 3.470 3.839 -0.369 2
1 1592 . 1 1 A 133 133 ILE CB C 133 38.240 36.986 1.254 2
1 1605 . 1 1 A 133 133 ILE C C 133 177.949 178.488 -0.539 2
1 1606 . 1 1 A 134 134 GLU N N 134 117.011 121.328 -4.317 2
1 1607 . 1 1 A 134 134 GLU H H 134 8.106 8.151 -0.045 2
1 1608 . 1 1 A 134 134 GLU CA C 134 59.844 59.598 0.246 2
1 1609 . 1 1 A 134 134 GLU HA H 134 3.919 4.070 -0.151 2
1 1610 . 1 1 A 134 134 GLU CB C 134 29.024 29.521 -0.497 2
1 1616 . 1 1 A 134 134 GLU C C 134 178.982 179.190 -0.208 2
1 1617 . 1 1 A 135 135 GLU N N 135 118.619 118.907 -0.288 2
1 1618 . 1 1 A 135 135 GLU H H 135 7.848 8.274 -0.426 2
1 1619 . 1 1 A 135 135 GLU CA C 135 59.438 59.262 0.176 2
1 1620 . 1 1 A 135 135 GLU HA H 135 4.090 4.092 -0.002 2
1 1621 . 1 1 A 135 135 GLU CB C 135 29.948 29.000 0.948 2
1 1627 . 1 1 A 135 135 GLU C C 135 179.547 178.956 0.591 2
1 1628 . 1 1 A 136 136 VAL N N 136 119.915 121.279 -1.364 2
1 1629 . 1 1 A 136 136 VAL H H 136 8.793 7.971 0.822 2
1 1630 . 1 1 A 136 136 VAL CA C 136 66.122 66.170 -0.048 2
1 1631 . 1 1 A 136 136 VAL HA H 136 3.578 3.594 -0.016 2
1 1632 . 1 1 A 136 136 VAL CB C 136 31.990 31.881 0.109 2
1 1642 . 1 1 A 136 136 VAL C C 136 177.646 177.441 0.204 2
1 1643 . 1 1 A 137 137 PHE N N 137 111.913 117.395 -5.482 2
1 1644 . 1 1 A 137 137 PHE H H 137 8.009 7.875 0.134 2
1 1645 . 1 1 A 137 137 PHE CA C 137 59.545 59.255 0.290 2
1 1646 . 1 1 A 137 137 PHE HA H 137 4.197 4.545 -0.348 2
1 1647 . 1 1 A 137 137 PHE CB C 137 38.105 38.631 -0.526 2
1 1660 . 1 1 A 138 138 GLU N N 138 123.997 119.741 4.256 2
1 1661 . 1 1 A 138 138 GLU H H 138 7.268 8.318 -1.050 2
1 1662 . 1 1 A 138 138 GLU CA C 138 59.222 58.968 0.254 2
1 1663 . 1 1 A 138 138 GLU HA H 138 4.161 4.131 0.030 2
1 1664 . 1 1 A 138 138 GLU CB C 138 29.644 29.054 0.590 2
1 1670 . 1 1 A 139 139 ALA N N 139 121.713 120.630 1.083 2
1 1671 . 1 1 A 139 139 ALA H H 139 8.830 7.793 1.037 2
1 1672 . 1 1 A 139 139 ALA CA C 139 52.894 51.116 1.778 2
1 1673 . 1 1 A 139 139 ALA HA H 139 4.334 4.463 -0.129 2
1 1674 . 1 1 A 139 139 ALA CB C 139 17.362 18.927 -1.565 2
1 1678 . 1 1 A 139 139 ALA C C 139 176.943 176.132 0.811 2
1 1679 . 1 1 A 140 140 THR N N 140 107.901 109.330 -1.429 2
1 1680 . 1 1 A 140 140 THR H H 140 7.809 7.773 0.036 2
1 1681 . 1 1 A 140 140 THR CA C 140 61.013 60.083 0.930 2
1 1682 . 1 1 A 140 140 THR HA H 140 4.164 4.859 -0.695 2
1 1683 . 1 1 A 140 140 THR CB C 140 72.698 72.244 0.454 2
1 1689 . 1 1 A 140 140 THR C C 140 174.222 173.305 0.917 2
1 1690 . 1 1 A 141 141 ASP N N 141 120.212 119.289 0.923 2
1 1691 . 1 1 A 141 141 ASP H H 141 8.959 8.658 0.301 2
1 1692 . 1 1 A 141 141 ASP CA C 141 53.333 53.586 -0.253 2
1 1693 . 1 1 A 141 141 ASP HA H 141 4.991 4.975 0.016 2
1 1694 . 1 1 A 141 141 ASP CB C 141 40.660 41.442 -0.782 2
1 1697 . 1 1 A 141 141 ASP C C 141 175.403 174.792 0.611 2
1 1698 . 1 1 A 142 142 ILE N N 142 120.815 121.165 -0.350 2
1 1699 . 1 1 A 142 142 ILE H H 142 7.444 7.625 -0.181 2
1 1700 . 1 1 A 142 142 ILE CA C 142 62.338 60.207 2.131 2
1 1701 . 1 1 A 142 142 ILE HA H 142 4.131 4.624 -0.493 2
1 1702 . 1 1 A 142 142 ILE CB C 142 38.703 40.374 -1.671 2
1 1715 . 1 1 A 142 142 ILE C C 142 175.399 174.951 0.448 2
1 1716 . 1 1 A 143 143 LYS N N 143 129.106 126.120 2.986 2
1 1717 . 1 1 A 143 143 LYS H H 143 8.588 9.155 -0.567 2
1 1718 . 1 1 A 143 143 LYS CA C 143 55.725 55.296 0.429 2
1 1719 . 1 1 A 143 143 LYS HA H 143 4.444 4.854 -0.411 2
1 1720 . 1 1 A 143 143 LYS CB C 143 33.768 34.464 -0.696 2
1 1732 . 1 1 A 143 143 LYS C C 143 174.820 175.398 -0.578 2
1 1733 . 1 1 A 144 144 ILE N N 144 122.496 124.367 -1.871 2
1 1734 . 1 1 A 144 144 ILE H H 144 7.884 8.777 -0.893 2
1 1735 . 1 1 A 144 144 ILE CA C 144 59.861 59.807 0.054 2
1 1736 . 1 1 A 144 144 ILE HA H 144 4.937 5.167 -0.230 2
1 1737 . 1 1 A 144 144 ILE CB C 144 40.518 40.655 -0.137 2
1 1750 . 1 1 A 144 144 ILE C C 144 175.232 175.033 0.199 2
1 1751 . 1 1 A 145 145 THR N N 145 126.667 122.843 3.824 2
1 1752 . 1 1 A 145 145 THR H H 145 9.100 8.680 0.420 2
1 1753 . 1 1 A 145 145 THR CA C 145 61.374 61.733 -0.359 2
1 1754 . 1 1 A 145 145 THR HA H 145 4.992 4.968 0.024 2
1 1755 . 1 1 A 145 145 THR CB C 145 68.907 71.531 -2.624 2
1 1761 . 1 1 A 145 145 THR C C 145 173.158 173.338 -0.180 2
1 1762 . 1 1 A 146 146 VAL N N 146 127.717 127.210 0.507 2
1 1763 . 1 1 A 146 146 VAL H H 146 8.818 9.089 -0.271 2
1 1764 . 1 1 A 146 146 VAL CA C 146 59.930 61.366 -1.436 2
1 1765 . 1 1 A 146 146 VAL HA H 146 5.053 4.918 0.135 2
1 1766 . 1 1 A 146 146 VAL CB C 146 32.906 32.793 0.113 2
1 1776 . 1 1 A 146 146 VAL C C 146 175.653 174.961 0.692 2
1 1777 . 1 1 A 147 147 TYR N N 147 129.304 127.085 2.219 2
1 1778 . 1 1 A 147 147 TYR H H 147 8.926 9.134 -0.208 2
1 1779 . 1 1 A 147 147 TYR CA C 147 57.290 57.096 0.194 2
1 1780 . 1 1 A 147 147 TYR HA H 147 5.283 5.254 0.029 2
1 1781 . 1 1 A 147 147 TYR CB C 147 40.422 40.236 0.186 2
1 1792 . 1 1 A 147 147 TYR C C 147 177.250 175.316 1.934 2
1 1793 . 1 1 A 148 148 THR N N 148 116.883 114.427 2.456 2
1 1794 . 1 1 A 148 148 THR H H 148 8.607 9.147 -0.540 2
1 1795 . 1 1 A 148 148 THR CA C 148 61.560 60.570 0.990 2
1 1796 . 1 1 A 148 148 THR HA H 148 4.431 5.148 -0.717 2
1 1797 . 1 1 A 148 148 THR CB C 148 70.966 70.864 0.102 2
1 1803 . 1 1 A 148 148 THR C C 148 172.797 173.722 -0.925 2
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