data_16491_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16491
_Entry.PDB_ID 2KO7
_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 3 3 GLY H H 3 8.684 8.214 0.470 1
1 2 . 1 1 1 A 3 3 GLY HA2 H 3 3.959 4.172 -0.213 1
1 3 . 1 1 1 A 3 3 GLY HA3 H 3 3.959 4.174 -0.215 1
1 4 . 1 1 1 A 3 3 GLY N N 3 110.167 110.116 0.051 1
1 5 . 1 1 1 A 4 4 SER H H 4 8.315 8.504 -0.189 1
1 6 . 1 1 1 A 4 4 SER HA H 4 4.468 5.221 -0.753 1
1 9 . 1 1 1 A 4 4 SER CA C 4 58.355 56.543 1.812 1
1 10 . 1 1 1 A 4 4 SER N N 4 115.851 117.060 -1.209 1
1 11 . 1 1 1 A 5 5 MET H H 5 8.640 8.738 -0.098 1
1 12 . 1 1 1 A 5 5 MET HA H 5 4.554 5.061 -0.507 1
1 17 . 1 1 1 A 5 5 MET CA C 5 55.754 53.794 1.960 1
1 18 . 1 1 1 A 5 5 MET CB C 5 32.870 35.743 -2.873 1
1 20 . 1 1 1 A 5 5 MET N N 5 122.413 117.607 4.806 1
1 21 . 1 1 1 A 6 6 THR H H 6 8.265 8.317 -0.052 1
1 22 . 1 1 1 A 6 6 THR HA H 6 4.296 4.639 -0.343 1
1 27 . 1 1 1 A 6 6 THR CA C 6 62.224 61.126 1.098 1
1 28 . 1 1 1 A 6 6 THR CB C 6 69.806 68.117 1.689 1
1 30 . 1 1 1 A 6 6 THR N N 6 116.270 112.663 3.607 1
1 31 . 1 1 1 A 7 7 VAL H H 7 8.068 8.253 -0.185 1
1 32 . 1 1 1 A 7 7 VAL HA H 7 4.200 5.081 -0.881 1
1 40 . 1 1 1 A 7 7 VAL CA C 7 62.021 59.898 2.123 1
1 41 . 1 1 1 A 7 7 VAL CB C 7 32.773 35.045 -2.272 1
1 44 . 1 1 1 A 7 7 VAL N N 7 124.632 126.400 -1.768 1
1 45 . 1 1 1 A 8 8 VAL H H 8 8.985 7.911 1.074 1
1 46 . 1 1 1 A 8 8 VAL HA H 8 3.872 4.137 -0.265 1
1 54 . 1 1 1 A 8 8 VAL CA C 8 61.848 62.629 -0.781 1
1 55 . 1 1 1 A 8 8 VAL CB C 8 33.157 31.193 1.964 1
1 58 . 1 1 1 A 8 8 VAL N N 8 132.503 127.606 4.897 1
1 59 . 1 1 1 A 9 9 THR H H 9 8.213 8.830 -0.617 1
1 60 . 1 1 1 A 9 9 THR HA H 9 5.250 4.976 0.274 1
1 65 . 1 1 1 A 9 9 THR CA C 9 61.040 61.360 -0.320 1
1 66 . 1 1 1 A 9 9 THR CB C 9 69.773 70.954 -1.181 1
1 68 . 1 1 1 A 9 9 THR N N 9 121.386 122.415 -1.029 1
1 69 . 1 1 1 A 10 10 THR H H 10 9.318 8.569 0.749 1
1 70 . 1 1 1 A 10 10 THR HA H 10 4.693 4.932 -0.239 1
1 75 . 1 1 1 A 10 10 THR CA C 10 60.077 59.852 0.225 1
1 76 . 1 1 1 A 10 10 THR CB C 10 70.131 72.099 -1.968 1
1 78 . 1 1 1 A 10 10 THR N N 10 119.882 115.553 4.329 1
1 79 . 1 1 1 A 11 11 GLU H H 11 9.051 9.054 -0.003 1
1 80 . 1 1 1 A 11 11 GLU HA H 11 4.028 4.036 -0.008 1
1 85 . 1 1 1 A 11 11 GLU CA C 11 59.072 59.372 -0.300 1
1 86 . 1 1 1 A 11 11 GLU CB C 11 29.516 29.315 0.201 1
1 88 . 1 1 1 A 11 11 GLU N N 11 120.586 122.520 -1.934 1
1 89 . 1 1 1 A 12 12 SER H H 12 8.445 7.802 0.643 1
1 90 . 1 1 1 A 12 12 SER HA H 12 4.302 4.486 -0.184 1
1 93 . 1 1 1 A 12 12 SER CA C 12 58.483 59.248 -0.765 1
1 94 . 1 1 1 A 12 12 SER CB C 12 63.034 63.894 -0.860 1
1 95 . 1 1 1 A 12 12 SER N N 12 114.574 113.869 0.705 1
1 96 . 1 1 1 A 13 13 GLY H H 13 7.798 7.907 -0.109 1
1 97 . 1 1 1 A 13 13 GLY HA2 H 13 3.425 4.067 -0.642 1
1 98 . 1 1 1 A 13 13 GLY HA3 H 13 4.401 4.070 0.331 1
1 99 . 1 1 1 A 13 13 GLY CA C 13 44.276 45.416 -1.140 1
1 100 . 1 1 1 A 13 13 GLY N N 13 109.024 109.022 0.002 1
1 101 . 1 1 1 A 14 14 LEU H H 14 7.501 7.865 -0.364 1
1 102 . 1 1 1 A 14 14 LEU HA H 14 3.967 4.561 -0.594 1
1 112 . 1 1 1 A 14 14 LEU CA C 14 56.343 55.759 0.584 1
1 113 . 1 1 1 A 14 14 LEU CB C 14 41.856 42.749 -0.893 1
1 117 . 1 1 1 A 14 14 LEU N N 14 123.870 123.332 0.538 1
1 118 . 1 1 1 A 15 15 LYS H H 15 7.812 8.364 -0.552 1
1 119 . 1 1 1 A 15 15 LYS HA H 15 5.942 5.197 0.745 1
1 127 . 1 1 1 A 15 15 LYS CA C 15 54.052 54.337 -0.285 1
1 128 . 1 1 1 A 15 15 LYS CB C 15 36.289 35.974 0.315 1
1 132 . 1 1 1 A 15 15 LYS N N 15 123.667 124.650 -0.983 1
1 133 . 1 1 1 A 16 16 TYR H H 16 9.289 8.750 0.539 1
1 134 . 1 1 1 A 16 16 TYR HA H 16 5.996 5.797 0.199 1
1 141 . 1 1 1 A 16 16 TYR CA C 16 55.784 56.248 -0.464 1
1 142 . 1 1 1 A 16 16 TYR CB C 16 43.297 42.337 0.960 1
1 143 . 1 1 1 A 16 16 TYR N N 16 117.890 117.635 0.255 1
1 144 . 1 1 1 A 17 17 GLU H H 17 8.728 8.823 -0.095 1
1 145 . 1 1 1 A 17 17 GLU HA H 17 4.860 4.698 0.162 1
1 150 . 1 1 1 A 17 17 GLU CA C 17 54.072 55.597 -1.525 1
1 151 . 1 1 1 A 17 17 GLU CB C 17 35.222 33.201 2.021 1
1 152 . 1 1 1 A 17 17 GLU N N 17 118.386 120.576 -2.190 1
1 153 . 1 1 1 A 18 18 ASP H H 18 9.596 9.034 0.562 1
1 154 . 1 1 1 A 18 18 ASP HA H 18 5.296 4.785 0.511 1
1 157 . 1 1 1 A 18 18 ASP CA C 18 55.695 54.820 0.875 1
1 158 . 1 1 1 A 18 18 ASP CB C 18 40.940 41.191 -0.251 1
1 159 . 1 1 1 A 18 18 ASP N N 18 127.059 126.116 0.943 1
1 160 . 1 1 1 A 19 19 LEU H H 19 8.609 8.947 -0.338 1
1 161 . 1 1 1 A 19 19 LEU HA H 19 4.275 4.606 -0.331 1
1 171 . 1 1 1 A 19 19 LEU CA C 19 56.923 55.895 1.028 1
1 172 . 1 1 1 A 19 19 LEU CB C 19 41.074 43.941 -2.867 1
1 176 . 1 1 1 A 19 19 LEU N N 19 128.620 124.241 4.379 1
1 177 . 1 1 1 A 20 20 THR H H 20 8.136 7.989 0.147 1
1 178 . 1 1 1 A 20 20 THR HA H 20 4.400 4.865 -0.465 1
1 183 . 1 1 1 A 20 20 THR CA C 20 61.835 61.107 0.728 1
1 184 . 1 1 1 A 20 20 THR CB C 20 72.411 72.692 -0.281 1
1 186 . 1 1 1 A 20 20 THR N N 20 112.473 111.933 0.540 1
1 187 . 1 1 1 A 21 21 GLU H H 21 9.354 8.774 0.580 1
1 188 . 1 1 1 A 21 21 GLU HA H 21 4.370 4.275 0.095 1
1 193 . 1 1 1 A 21 21 GLU CA C 21 56.277 57.332 -1.055 1
1 194 . 1 1 1 A 21 21 GLU CB C 21 30.368 30.792 -0.424 1
1 196 . 1 1 1 A 21 21 GLU N N 21 130.043 125.810 4.233 1
1 197 . 1 1 1 A 22 22 GLY H H 22 9.071 8.505 0.566 1
1 198 . 1 1 1 A 22 22 GLY HA2 H 22 3.446 4.096 -0.650 1
1 199 . 1 1 1 A 22 22 GLY HA3 H 22 3.742 4.098 -0.356 1
1 200 . 1 1 1 A 22 22 GLY CA C 22 45.343 46.111 -0.768 1
1 201 . 1 1 1 A 22 22 GLY N N 22 113.930 110.068 3.862 1
1 202 . 1 1 1 A 23 23 SER H H 23 8.040 8.244 -0.204 1
1 203 . 1 1 1 A 23 23 SER HA H 23 4.671 4.111 0.560 1
1 206 . 1 1 1 A 23 23 SER CA C 23 57.488 59.080 -1.592 1
1 207 . 1 1 1 A 23 23 SER CB C 23 65.069 61.976 3.093 1
1 208 . 1 1 1 A 23 23 SER N N 23 111.747 114.896 -3.149 1
1 209 . 1 1 1 A 24 24 GLY H H 24 8.418 8.200 0.218 1
1 210 . 1 1 1 A 24 24 GLY HA2 H 24 3.693 4.053 -0.360 1
1 211 . 1 1 1 A 24 24 GLY HA3 H 24 4.328 4.053 0.275 1
1 212 . 1 1 1 A 24 24 GLY CA C 24 44.138 44.976 -0.838 1
1 213 . 1 1 1 A 24 24 GLY N N 24 111.391 107.437 3.954 1
1 214 . 1 1 1 A 25 25 ALA H H 25 8.342 8.153 0.189 1
1 215 . 1 1 1 A 25 25 ALA HA H 25 4.061 4.926 -0.865 1
1 219 . 1 1 1 A 25 25 ALA CA C 25 52.551 51.381 1.170 1
1 220 . 1 1 1 A 25 25 ALA CB C 25 19.752 22.545 -2.793 1
1 221 . 1 1 1 A 25 25 ALA N N 25 123.675 122.764 0.911 1
1 222 . 1 1 1 A 26 26 GLU H H 26 8.194 8.617 -0.423 1
1 223 . 1 1 1 A 26 26 GLU HA H 26 4.498 4.649 -0.151 1
1 228 . 1 1 1 A 26 26 GLU CA C 26 55.174 56.818 -1.644 1
1 229 . 1 1 1 A 26 26 GLU CB C 26 31.906 29.875 2.031 1
1 231 . 1 1 1 A 26 26 GLU N N 26 119.186 123.566 -4.380 1
1 232 . 1 1 1 A 27 27 ALA H H 27 8.930 8.180 0.750 1
1 233 . 1 1 1 A 27 27 ALA HA H 27 4.527 4.269 0.258 1
1 237 . 1 1 1 A 27 27 ALA CA C 27 51.815 52.945 -1.130 1
1 238 . 1 1 1 A 27 27 ALA CB C 27 19.057 19.407 -0.350 1
1 239 . 1 1 1 A 27 27 ALA N N 27 127.513 127.711 -0.198 1
1 240 . 1 1 1 A 28 28 ARG H H 28 8.348 8.744 -0.396 1
1 241 . 1 1 1 A 28 28 ARG HA H 28 4.563 4.889 -0.326 1
1 246 . 1 1 1 A 28 28 ARG CA C 28 53.584 53.827 -0.243 1
1 247 . 1 1 1 A 28 28 ARG CB C 28 33.571 33.679 -0.108 1
1 250 . 1 1 1 A 28 28 ARG N N 28 124.054 119.318 4.736 1
1 251 . 1 1 1 A 29 29 ALA H H 29 8.387 8.619 -0.232 1
1 252 . 1 1 1 A 29 29 ALA HA H 29 3.594 3.913 -0.319 1
1 256 . 1 1 1 A 29 29 ALA CA C 29 53.535 53.892 -0.357 1
1 257 . 1 1 1 A 29 29 ALA CB C 29 17.781 18.420 -0.639 1
1 258 . 1 1 1 A 29 29 ALA N N 29 122.289 126.737 -4.448 1
1 259 . 1 1 1 A 30 30 GLY H H 30 9.043 8.965 0.078 1
1 260 . 1 1 1 A 30 30 GLY HA2 H 30 3.451 4.005 -0.554 1
1 261 . 1 1 1 A 30 30 GLY HA3 H 30 4.378 4.007 0.371 1
1 262 . 1 1 1 A 30 30 GLY CA C 30 44.562 45.085 -0.523 1
1 263 . 1 1 1 A 30 30 GLY N N 30 110.956 111.095 -0.139 1
1 264 . 1 1 1 A 31 31 GLN H H 31 7.620 7.645 -0.025 1
1 265 . 1 1 1 A 31 31 GLN HA H 31 4.343 4.564 -0.221 1
1 272 . 1 1 1 A 31 31 GLN CA C 31 55.410 55.222 0.188 1
1 273 . 1 1 1 A 31 31 GLN CB C 31 30.151 30.291 -0.140 1
1 275 . 1 1 1 A 31 31 GLN N N 31 119.756 118.643 1.113 1
1 277 . 1 1 1 A 32 32 THR H H 32 8.793 8.546 0.247 1
1 278 . 1 1 1 A 32 32 THR HA H 32 4.463 4.872 -0.409 1
1 283 . 1 1 1 A 32 32 THR CA C 32 63.072 62.261 0.811 1
1 284 . 1 1 1 A 32 32 THR CB C 32 68.380 69.958 -1.578 1
1 286 . 1 1 1 A 32 32 THR N N 32 119.718 118.712 1.006 1
1 287 . 1 1 1 A 33 33 VAL H H 33 8.393 8.713 -0.320 1
1 288 . 1 1 1 A 33 33 VAL HA H 33 4.712 4.934 -0.222 1
1 296 . 1 1 1 A 33 33 VAL CA C 33 58.274 59.215 -0.941 1
1 297 . 1 1 1 A 33 33 VAL CB C 33 33.309 36.281 -2.972 1
1 300 . 1 1 1 A 33 33 VAL N N 33 120.513 119.755 0.758 1
1 301 . 1 1 1 A 34 34 SER H H 34 7.865 8.580 -0.715 1
1 302 . 1 1 1 A 34 34 SER HA H 34 5.262 5.558 -0.296 1
1 305 . 1 1 1 A 34 34 SER CA C 34 56.443 57.910 -1.467 1
1 306 . 1 1 1 A 34 34 SER CB C 34 64.882 64.422 0.460 1
1 307 . 1 1 1 A 34 34 SER N N 34 113.652 117.860 -4.208 1
1 308 . 1 1 1 A 35 35 VAL H H 35 9.531 9.623 -0.092 1
1 309 . 1 1 1 A 35 35 VAL HA H 35 5.715 5.274 0.441 1
1 317 . 1 1 1 A 35 35 VAL CA C 35 58.226 58.975 -0.749 1
1 318 . 1 1 1 A 35 35 VAL CB C 35 35.412 36.016 -0.604 1
1 321 . 1 1 1 A 35 35 VAL N N 35 117.985 119.548 -1.563 1
1 322 . 1 1 1 A 36 36 HIS H H 36 8.812 8.735 0.077 1
1 323 . 1 1 1 A 36 36 HIS HA H 36 5.784 5.616 0.168 1
1 328 . 1 1 1 A 36 36 HIS CA C 36 54.671 53.733 0.938 1
1 329 . 1 1 1 A 36 36 HIS CB C 36 35.786 32.499 3.287 1
1 330 . 1 1 1 A 36 36 HIS N N 36 118.227 119.806 -1.579 1
1 331 . 1 1 1 A 37 37 TYR H H 37 9.680 8.912 0.768 1
1 332 . 1 1 1 A 37 37 TYR HA H 37 6.201 5.771 0.430 1
1 339 . 1 1 1 A 37 37 TYR CA C 37 56.280 55.337 0.943 1
1 340 . 1 1 1 A 37 37 TYR CB C 37 43.791 41.057 2.734 1
1 341 . 1 1 1 A 37 37 TYR N N 37 116.878 119.474 -2.596 1
1 342 . 1 1 1 A 38 38 THR H H 38 8.478 8.618 -0.140 1
1 343 . 1 1 1 A 38 38 THR HA H 38 4.374 4.464 -0.090 1
1 348 . 1 1 1 A 38 38 THR CA C 38 62.692 59.821 2.871 1
1 349 . 1 1 1 A 38 38 THR CB C 38 71.675 69.111 2.564 1
1 351 . 1 1 1 A 38 38 THR N N 38 117.172 117.804 -0.632 1
1 352 . 1 1 1 A 39 39 GLY H H 39 8.332 8.264 0.068 1
1 353 . 1 1 1 A 39 39 GLY HA2 H 39 1.943 1.848 0.095 1
1 354 . 1 1 1 A 39 39 GLY HA3 H 39 4.624 3.018 1.606 1
1 355 . 1 1 1 A 39 39 GLY CA C 39 44.767 45.024 -0.257 1
1 356 . 1 1 1 A 39 39 GLY N N 39 113.042 112.040 1.002 1
1 357 . 1 1 1 A 40 40 TRP H H 40 9.669 8.719 0.950 1
1 358 . 1 1 1 A 40 40 TRP HA H 40 5.499 5.317 0.182 1
1 366 . 1 1 1 A 40 40 TRP CA C 40 57.026 55.806 1.220 1
1 367 . 1 1 1 A 40 40 TRP CB C 40 34.177 32.319 1.858 1
1 368 . 1 1 1 A 40 40 TRP N N 40 123.550 125.685 -2.135 1
1 370 . 1 1 1 A 41 41 LEU H H 41 8.699 8.915 -0.216 1
1 371 . 1 1 1 A 41 41 LEU HA H 41 5.056 4.891 0.165 1
1 381 . 1 1 1 A 41 41 LEU CA C 41 54.040 53.356 0.684 1
1 382 . 1 1 1 A 41 41 LEU CB C 41 41.981 43.527 -1.546 1
1 386 . 1 1 1 A 41 41 LEU N N 41 119.318 123.843 -4.525 1
1 387 . 1 1 1 A 42 42 THR H H 42 9.418 8.797 0.621 1
1 388 . 1 1 1 A 42 42 THR HA H 42 3.962 3.962 0.000 1
1 393 . 1 1 1 A 42 42 THR CA C 42 65.117 66.316 -1.199 1
1 394 . 1 1 1 A 42 42 THR CB C 42 68.693 68.296 0.397 1
1 396 . 1 1 1 A 42 42 THR N N 42 112.465 115.086 -2.621 1
1 397 . 1 1 1 A 43 43 ASP H H 43 7.690 7.758 -0.068 1
1 398 . 1 1 1 A 43 43 ASP HA H 43 4.538 4.637 -0.099 1
1 401 . 1 1 1 A 43 43 ASP CA C 43 53.655 54.176 -0.521 1
1 402 . 1 1 1 A 43 43 ASP CB C 43 40.109 41.228 -1.119 1
1 403 . 1 1 1 A 43 43 ASP N N 43 118.952 120.674 -1.722 1
1 404 . 1 1 1 A 44 44 GLY H H 44 8.043 7.880 0.163 1
1 405 . 1 1 1 A 44 44 GLY HA2 H 44 3.521 3.833 -0.312 1
1 406 . 1 1 1 A 44 44 GLY HA3 H 44 4.318 3.835 0.483 1
1 407 . 1 1 1 A 44 44 GLY CA C 44 44.869 44.922 -0.053 1
1 408 . 1 1 1 A 44 44 GLY N N 44 107.790 107.718 0.072 1
1 409 . 1 1 1 A 45 45 GLN H H 45 8.355 7.855 0.500 1
1 410 . 1 1 1 A 45 45 GLN HA H 45 4.319 4.249 0.070 1
1 417 . 1 1 1 A 45 45 GLN CA C 45 56.909 56.063 0.846 1
1 418 . 1 1 1 A 45 45 GLN CB C 45 29.837 29.193 0.644 1
1 420 . 1 1 1 A 45 45 GLN N N 45 121.541 120.475 1.066 1
1 422 . 1 1 1 A 46 46 LYS H H 46 8.915 8.570 0.345 1
1 423 . 1 1 1 A 46 46 LYS HA H 46 4.454 5.319 -0.865 1
1 432 . 1 1 1 A 46 46 LYS CA C 46 55.782 55.462 0.320 1
1 433 . 1 1 1 A 46 46 LYS CB C 46 33.097 34.010 -0.913 1
1 437 . 1 1 1 A 46 46 LYS N N 46 129.310 124.773 4.537 1
1 438 . 1 1 1 A 47 47 PHE H H 47 8.440 8.976 -0.536 1
1 439 . 1 1 1 A 47 47 PHE HA H 47 5.103 4.975 0.128 1
1 447 . 1 1 1 A 47 47 PHE CA C 47 56.272 56.706 -0.434 1
1 448 . 1 1 1 A 47 47 PHE CB C 47 41.094 40.196 0.898 1
1 449 . 1 1 1 A 47 47 PHE N N 47 122.874 122.801 0.073 1
1 450 . 1 1 1 A 48 48 ASP H H 48 6.744 7.470 -0.726 1
1 451 . 1 1 1 A 48 48 ASP HA H 48 4.790 4.807 -0.017 1
1 454 . 1 1 1 A 48 48 ASP CA C 48 54.518 54.225 0.293 1
1 455 . 1 1 1 A 48 48 ASP CB C 48 43.929 44.286 -0.357 1
1 456 . 1 1 1 A 48 48 ASP N N 48 118.152 119.651 -1.499 1
1 457 . 1 1 1 A 49 49 SER H H 49 8.122 8.545 -0.423 1
1 458 . 1 1 1 A 49 49 SER HA H 49 4.608 4.962 -0.354 1
1 461 . 1 1 1 A 49 49 SER CA C 49 56.963 56.344 0.619 1
1 462 . 1 1 1 A 49 49 SER CB C 49 64.699 66.027 -1.328 1
1 463 . 1 1 1 A 49 49 SER N N 49 117.585 119.397 -1.812 1
1 464 . 1 1 1 A 50 50 SER H H 50 8.020 8.692 -0.672 1
1 465 . 1 1 1 A 50 50 SER HA H 50 4.045 4.091 -0.046 1
1 468 . 1 1 1 A 50 50 SER CA C 50 61.482 61.052 0.430 1
1 469 . 1 1 1 A 50 50 SER CB C 50 61.488 63.211 -1.723 1
1 470 . 1 1 1 A 50 50 SER N N 50 124.801 119.209 5.592 1
1 471 . 1 1 1 A 51 51 LYS H H 51 7.730 7.930 -0.200 1
1 472 . 1 1 1 A 51 51 LYS HA H 51 3.505 4.003 -0.498 1
1 481 . 1 1 1 A 51 51 LYS CA C 51 58.921 59.067 -0.146 1
1 482 . 1 1 1 A 51 51 LYS CB C 51 31.346 32.031 -0.685 1
1 486 . 1 1 1 A 51 51 LYS N N 51 124.103 122.980 1.123 1
1 487 . 1 1 1 A 52 52 ASP H H 52 7.324 8.779 -1.455 1
1 488 . 1 1 1 A 52 52 ASP HA H 52 4.284 4.329 -0.045 1
1 491 . 1 1 1 A 52 52 ASP CA C 52 56.524 56.856 -0.332 1
1 492 . 1 1 1 A 52 52 ASP CB C 52 40.201 39.871 0.330 1
1 493 . 1 1 1 A 52 52 ASP N N 52 118.971 117.486 1.485 1
1 494 . 1 1 1 A 53 53 ARG H H 53 6.923 7.807 -0.884 1
1 495 . 1 1 1 A 53 53 ARG HA H 53 4.461 4.400 0.061 1
1 502 . 1 1 1 A 53 53 ARG CA C 53 55.597 57.035 -1.438 1
1 503 . 1 1 1 A 53 53 ARG CB C 53 31.289 31.467 -0.178 1
1 506 . 1 1 1 A 53 53 ARG N N 53 114.803 118.402 -3.599 1
1 507 . 1 1 1 A 54 54 ASN H H 54 7.827 7.812 0.015 1
1 508 . 1 1 1 A 54 54 ASN HA H 54 4.352 4.348 0.004 1
1 513 . 1 1 1 A 54 54 ASN CA C 54 54.339 54.532 -0.193 1
1 514 . 1 1 1 A 54 54 ASN CB C 54 37.849 36.617 1.232 1
1 515 . 1 1 1 A 54 54 ASN N N 54 117.421 116.699 0.722 1
1 517 . 1 1 1 A 55 55 ASP H H 55 7.580 7.883 -0.303 1
1 518 . 1 1 1 A 55 55 ASP HA H 55 5.360 5.091 0.269 1
1 521 . 1 1 1 A 55 55 ASP CA C 55 51.697 51.686 0.011 1
1 522 . 1 1 1 A 55 55 ASP CB C 55 43.377 44.097 -0.720 1
1 523 . 1 1 1 A 55 55 ASP N N 55 115.802 117.912 -2.110 1
1 524 . 1 1 1 A 56 56 PRO HA H 56 4.022 3.850 0.172 1
1 531 . 1 1 1 A 56 56 PRO CA C 56 63.115 62.445 0.670 1
1 532 . 1 1 1 A 56 56 PRO CB C 56 32.348 32.352 -0.004 1
1 535 . 1 1 1 A 57 57 PHE H H 57 9.207 8.445 0.762 1
1 536 . 1 1 1 A 57 57 PHE HA H 57 4.874 4.671 0.203 1
1 544 . 1 1 1 A 57 57 PHE CA C 57 57.290 57.479 -0.189 1
1 545 . 1 1 1 A 57 57 PHE CB C 57 42.517 39.176 3.341 1
1 546 . 1 1 1 A 57 57 PHE N N 57 124.509 123.040 1.469 1
1 547 . 1 1 1 A 58 58 ALA H H 58 7.942 8.771 -0.829 1
1 548 . 1 1 1 A 58 58 ALA HA H 58 5.928 5.553 0.375 1
1 552 . 1 1 1 A 58 58 ALA CA C 58 49.705 50.400 -0.695 1
1 553 . 1 1 1 A 58 58 ALA CB C 58 21.621 21.141 0.480 1
1 554 . 1 1 1 A 58 58 ALA N N 58 130.661 130.067 0.594 1
1 555 . 1 1 1 A 59 59 PHE H H 59 8.455 8.741 -0.286 1
1 556 . 1 1 1 A 59 59 PHE HA H 59 4.660 5.061 -0.401 1
1 564 . 1 1 1 A 59 59 PHE CA C 59 55.610 56.043 -0.433 1
1 565 . 1 1 1 A 59 59 PHE CB C 59 40.857 40.797 0.060 1
1 566 . 1 1 1 A 59 59 PHE N N 59 114.967 117.329 -2.362 1
1 567 . 1 1 1 A 60 60 VAL H H 60 8.168 8.835 -0.667 1
1 568 . 1 1 1 A 60 60 VAL HA H 60 4.084 4.241 -0.157 1
1 576 . 1 1 1 A 60 60 VAL CA C 60 61.907 61.907 0.000 1
1 577 . 1 1 1 A 60 60 VAL CB C 60 31.564 32.423 -0.859 1
1 580 . 1 1 1 A 60 60 VAL N N 60 120.308 119.691 0.617 1
1 581 . 1 1 1 A 61 61 LEU H H 61 8.900 8.476 0.424 1
1 582 . 1 1 1 A 61 61 LEU HA H 61 4.248 3.926 0.322 1
1 592 . 1 1 1 A 61 61 LEU CA C 61 56.558 55.706 0.852 1
1 593 . 1 1 1 A 61 61 LEU CB C 61 41.736 42.282 -0.546 1
1 597 . 1 1 1 A 61 61 LEU N N 61 134.513 128.906 5.607 1
1 598 . 1 1 1 A 62 62 GLY H H 62 9.652 9.272 0.380 1
1 599 . 1 1 1 A 62 62 GLY HA2 H 62 3.558 3.856 -0.298 1
1 600 . 1 1 1 A 62 62 GLY HA3 H 62 4.154 3.884 0.270 1
1 601 . 1 1 1 A 62 62 GLY CA C 62 45.721 46.772 -1.051 1
1 602 . 1 1 1 A 62 62 GLY N N 62 119.352 114.350 5.002 1
1 603 . 1 1 1 A 63 63 GLY H H 63 8.338 8.403 -0.065 1
1 604 . 1 1 1 A 63 63 GLY HA2 H 63 3.557 4.108 -0.551 1
1 605 . 1 1 1 A 63 63 GLY HA3 H 63 4.298 4.118 0.180 1
1 606 . 1 1 1 A 63 63 GLY CA C 63 45.442 45.439 0.003 1
1 607 . 1 1 1 A 63 63 GLY N N 63 107.002 106.442 0.560 1
1 608 . 1 1 1 A 64 64 GLY H H 64 9.301 8.283 1.018 1
1 609 . 1 1 1 A 64 64 GLY HA2 H 64 4.057 4.162 -0.105 1
1 610 . 1 1 1 A 64 64 GLY HA3 H 64 4.057 4.279 -0.222 1
1 611 . 1 1 1 A 64 64 GLY CA C 64 46.425 44.780 1.645 1
1 612 . 1 1 1 A 64 64 GLY N N 64 112.092 107.623 4.469 1
1 613 . 1 1 1 A 65 65 MET H H 65 9.574 8.499 1.075 1
1 614 . 1 1 1 A 65 65 MET HA H 65 4.546 4.710 -0.164 1
1 619 . 1 1 1 A 65 65 MET CA C 65 55.641 54.208 1.433 1
1 620 . 1 1 1 A 65 65 MET CB C 65 33.268 33.213 0.055 1
1 622 . 1 1 1 A 65 65 MET N N 65 118.659 120.685 -2.026 1
1 623 . 1 1 1 A 66 66 VAL H H 66 6.867 8.032 -1.165 1
1 624 . 1 1 1 A 66 66 VAL HA H 66 4.454 4.561 -0.107 1
1 632 . 1 1 1 A 66 66 VAL CA C 66 57.545 58.966 -1.421 1
1 633 . 1 1 1 A 66 66 VAL CB C 66 35.736 35.514 0.222 1
1 636 . 1 1 1 A 66 66 VAL N N 66 108.649 115.773 -7.124 1
1 637 . 1 1 1 A 67 67 ILE H H 67 7.158 8.031 -0.873 1
1 638 . 1 1 1 A 67 67 ILE HA H 67 3.894 4.409 -0.515 1
1 648 . 1 1 1 A 67 67 ILE CA C 67 62.065 59.927 2.138 1
1 649 . 1 1 1 A 67 67 ILE CB C 67 37.130 40.102 -2.972 1
1 653 . 1 1 1 A 67 67 ILE N N 67 111.614 117.559 -5.945 1
1 654 . 1 1 1 A 68 68 LYS H H 68 9.182 8.867 0.315 1
1 655 . 1 1 1 A 68 68 LYS HA H 68 4.241 3.970 0.271 1
1 664 . 1 1 1 A 68 68 LYS CA C 68 60.042 59.574 0.468 1
1 665 . 1 1 1 A 68 68 LYS CB C 68 33.366 32.298 1.068 1
1 669 . 1 1 1 A 68 68 LYS N N 68 125.685 123.245 2.440 1
1 670 . 1 1 1 A 69 69 GLY H H 69 9.653 8.307 1.346 1
1 671 . 1 1 1 A 69 69 GLY HA2 H 69 3.595 3.860 -0.265 1
1 672 . 1 1 1 A 69 69 GLY HA3 H 69 3.971 3.887 0.084 1
1 673 . 1 1 1 A 69 69 GLY CA C 69 47.597 47.398 0.199 1
1 674 . 1 1 1 A 69 69 GLY N N 69 102.438 106.952 -4.514 1
1 675 . 1 1 1 A 70 70 TRP H H 70 7.745 7.940 -0.195 1
1 676 . 1 1 1 A 70 70 TRP HA H 70 4.152 4.595 -0.443 1
1 684 . 1 1 1 A 70 70 TRP CA C 70 60.737 60.479 0.258 1
1 685 . 1 1 1 A 70 70 TRP CB C 70 29.185 28.218 0.967 1
1 686 . 1 1 1 A 70 70 TRP N N 70 120.118 121.520 -1.402 1
1 687 . 1 1 1 A 71 71 ASP H H 71 7.058 8.468 -1.410 1
1 688 . 1 1 1 A 71 71 ASP HA H 71 4.878 4.347 0.531 1
1 691 . 1 1 1 A 71 71 ASP CA C 71 57.165 57.448 -0.283 1
1 692 . 1 1 1 A 71 71 ASP CB C 71 40.749 39.978 0.771 1
1 693 . 1 1 1 A 71 71 ASP N N 71 120.287 119.039 1.248 1
1 694 . 1 1 1 A 72 72 GLU H H 72 7.856 8.642 -0.786 1
1 695 . 1 1 1 A 72 72 GLU HA H 72 4.120 4.008 0.112 1
1 700 . 1 1 1 A 72 72 GLU CA C 72 58.236 59.291 -1.055 1
1 701 . 1 1 1 A 72 72 GLU CB C 72 30.409 29.242 1.167 1
1 703 . 1 1 1 A 72 72 GLU N N 72 114.126 119.563 -5.437 1
1 704 . 1 1 1 A 73 73 GLY H H 73 7.732 7.996 -0.264 1
1 705 . 1 1 1 A 73 73 GLY HA2 H 73 3.565 3.546 0.019 1
1 706 . 1 1 1 A 73 73 GLY HA3 H 73 3.565 3.568 -0.003 1
1 707 . 1 1 1 A 73 73 GLY CA C 73 47.427 47.227 0.200 1
1 708 . 1 1 1 A 73 73 GLY N N 73 104.848 107.827 -2.979 1
1 709 . 1 1 1 A 74 74 VAL H H 74 8.138 8.519 -0.381 1
1 710 . 1 1 1 A 74 74 VAL HA H 74 3.630 3.770 -0.140 1
1 718 . 1 1 1 A 74 74 VAL CA C 74 63.679 65.796 -2.117 1
1 719 . 1 1 1 A 74 74 VAL CB C 74 31.206 31.668 -0.462 1
1 722 . 1 1 1 A 74 74 VAL N N 74 117.660 121.994 -4.334 1
1 723 . 1 1 1 A 75 75 GLN H H 75 6.431 8.200 -1.769 1
1 724 . 1 1 1 A 75 75 GLN HA H 75 3.598 4.226 -0.628 1
1 731 . 1 1 1 A 75 75 GLN CA C 75 58.343 55.135 3.208 1
1 732 . 1 1 1 A 75 75 GLN CB C 75 28.747 27.962 0.785 1
1 734 . 1 1 1 A 75 75 GLN N N 75 116.376 118.003 -1.627 1
1 736 . 1 1 1 A 76 76 GLY H H 76 8.577 7.447 1.130 1
1 737 . 1 1 1 A 76 76 GLY HA2 H 76 3.647 4.078 -0.431 1
1 738 . 1 1 1 A 76 76 GLY HA3 H 76 4.510 4.082 0.428 1
1 739 . 1 1 1 A 76 76 GLY CA C 76 45.092 45.593 -0.501 1
1 740 . 1 1 1 A 76 76 GLY N N 76 111.539 109.103 2.436 1
1 741 . 1 1 1 A 77 77 MET H H 77 7.609 7.656 -0.047 1
1 742 . 1 1 1 A 77 77 MET HA H 77 3.948 4.444 -0.496 1
1 747 . 1 1 1 A 77 77 MET CA C 77 58.260 56.323 1.937 1
1 748 . 1 1 1 A 77 77 MET CB C 77 34.641 33.515 1.126 1
1 750 . 1 1 1 A 77 77 MET N N 77 119.140 120.430 -1.290 1
1 751 . 1 1 1 A 78 78 LYS H H 78 8.348 8.696 -0.348 1
1 752 . 1 1 1 A 78 78 LYS HA H 78 5.015 5.067 -0.052 1
1 761 . 1 1 1 A 78 78 LYS CA C 78 54.136 54.302 -0.166 1
1 762 . 1 1 1 A 78 78 LYS CB C 78 34.944 35.435 -0.491 1
1 766 . 1 1 1 A 78 78 LYS N N 78 119.308 120.711 -1.403 1
1 767 . 1 1 1 A 79 79 VAL H H 79 8.622 8.670 -0.048 1
1 768 . 1 1 1 A 79 79 VAL HA H 79 3.160 3.490 -0.330 1
1 776 . 1 1 1 A 79 79 VAL CA C 79 66.585 65.447 1.138 1
1 777 . 1 1 1 A 79 79 VAL CB C 79 31.690 31.440 0.250 1
1 780 . 1 1 1 A 79 79 VAL N N 79 123.215 122.309 0.906 1
1 781 . 1 1 1 A 80 80 GLY H H 80 8.623 8.734 -0.111 1
1 782 . 1 1 1 A 80 80 GLY HA2 H 80 3.901 4.027 -0.126 1
1 783 . 1 1 1 A 80 80 GLY HA3 H 80 4.654 4.033 0.621 1
1 784 . 1 1 1 A 80 80 GLY CA C 80 44.457 45.130 -0.673 1
1 785 . 1 1 1 A 80 80 GLY N N 80 115.910 114.780 1.130 1
1 786 . 1 1 1 A 81 81 GLY H H 81 9.283 8.369 0.914 1
1 787 . 1 1 1 A 81 81 GLY HA2 H 81 3.574 4.010 -0.436 1
1 788 . 1 1 1 A 81 81 GLY HA3 H 81 3.916 4.015 -0.099 1
1 789 . 1 1 1 A 81 81 GLY CA C 81 45.310 44.647 0.663 1
1 790 . 1 1 1 A 81 81 GLY N N 81 111.030 108.302 2.728 1
1 791 . 1 1 1 A 82 82 VAL H H 82 8.403 8.818 -0.415 1
1 792 . 1 1 1 A 82 82 VAL HA H 82 5.141 5.057 0.084 1
1 800 . 1 1 1 A 82 82 VAL CA C 82 61.633 61.032 0.601 1
1 801 . 1 1 1 A 82 82 VAL CB C 82 34.572 34.322 0.250 1
1 804 . 1 1 1 A 82 82 VAL N N 82 119.626 124.431 -4.805 1
1 805 . 1 1 1 A 83 83 ARG H H 83 9.383 8.635 0.748 1
1 806 . 1 1 1 A 83 83 ARG HA H 83 5.354 4.802 0.552 1
1 813 . 1 1 1 A 83 83 ARG CA C 83 54.577 54.921 -0.344 1
1 814 . 1 1 1 A 83 83 ARG CB C 83 35.933 34.292 1.641 1
1 817 . 1 1 1 A 83 83 ARG N N 83 130.545 127.219 3.326 1
1 818 . 1 1 1 A 84 84 ARG H H 84 9.618 8.677 0.941 1
1 819 . 1 1 1 A 84 84 ARG HA H 84 5.650 4.781 0.869 1
1 826 . 1 1 1 A 84 84 ARG CA C 84 54.383 55.814 -1.431 1
1 827 . 1 1 1 A 84 84 ARG CB C 84 32.969 31.639 1.330 1
1 830 . 1 1 1 A 84 84 ARG N N 84 127.552 126.754 0.798 1
1 831 . 1 1 1 A 85 85 LEU H H 85 10.121 9.087 1.034 1
1 832 . 1 1 1 A 85 85 LEU HA H 85 5.232 5.387 -0.155 1
1 842 . 1 1 1 A 85 85 LEU CA C 85 53.442 53.320 0.122 1
1 843 . 1 1 1 A 85 85 LEU CB C 85 45.431 44.065 1.366 1
1 847 . 1 1 1 A 85 85 LEU N N 85 128.946 127.129 1.817 1
1 848 . 1 1 1 A 86 86 THR H H 86 9.594 8.887 0.707 1
1 849 . 1 1 1 A 86 86 THR HA H 86 5.081 4.598 0.483 1
1 854 . 1 1 1 A 86 86 THR CA C 86 63.525 63.217 0.308 1
1 855 . 1 1 1 A 86 86 THR CB C 86 68.690 69.027 -0.337 1
1 857 . 1 1 1 A 86 86 THR N N 86 121.842 119.632 2.210 1
1 858 . 1 1 1 A 87 87 ILE H H 87 10.109 9.099 1.010 1
1 859 . 1 1 1 A 87 87 ILE HA H 87 4.539 4.737 -0.198 1
1 869 . 1 1 1 A 87 87 ILE CA C 87 58.954 58.310 0.644 1
1 870 . 1 1 1 A 87 87 ILE CB C 87 40.704 38.759 1.945 1
1 874 . 1 1 1 A 87 87 ILE N N 87 129.512 128.583 0.929 1
1 875 . 1 1 1 A 88 88 PRO HA H 88 4.981 4.716 0.265 1
1 882 . 1 1 1 A 88 88 PRO CA C 88 61.675 61.858 -0.183 1
1 883 . 1 1 1 A 88 88 PRO CB C 88 30.917 32.640 -1.723 1
1 886 . 1 1 1 A 89 89 PRO HA H 89 4.439 4.306 0.133 1
1 893 . 1 1 1 A 89 89 PRO CA C 89 65.384 65.320 0.064 1
1 894 . 1 1 1 A 89 89 PRO CB C 89 30.913 32.083 -1.170 1
1 897 . 1 1 1 A 90 90 GLN H H 90 9.574 8.892 0.682 1
1 898 . 1 1 1 A 90 90 GLN HA H 90 4.296 4.192 0.104 1
1 905 . 1 1 1 A 90 90 GLN CA C 90 58.441 57.498 0.943 1
1 906 . 1 1 1 A 90 90 GLN CB C 90 26.402 27.394 -0.992 1
1 908 . 1 1 1 A 90 90 GLN N N 90 118.710 115.509 3.201 1
1 910 . 1 1 1 A 91 91 LEU H H 91 7.976 7.483 0.493 1
1 911 . 1 1 1 A 91 91 LEU HA H 91 4.636 4.648 -0.012 1
1 921 . 1 1 1 A 91 91 LEU CA C 91 53.625 54.264 -0.639 1
1 922 . 1 1 1 A 91 91 LEU CB C 91 42.819 43.364 -0.545 1
1 926 . 1 1 1 A 91 91 LEU N N 91 119.302 118.564 0.738 1
1 927 . 1 1 1 A 92 92 GLY H H 92 7.717 7.796 -0.079 1
1 928 . 1 1 1 A 92 92 GLY HA2 H 92 3.258 4.156 -0.898 1
1 929 . 1 1 1 A 92 92 GLY HA3 H 92 4.121 4.196 -0.075 1
1 930 . 1 1 1 A 92 92 GLY CA C 92 45.183 45.907 -0.724 1
1 931 . 1 1 1 A 92 92 GLY N N 92 110.415 107.407 3.008 1
1 932 . 1 1 1 A 93 93 TYR H H 93 9.662 8.649 1.013 1
1 933 . 1 1 1 A 93 93 TYR HA H 93 4.513 4.257 0.256 1
1 940 . 1 1 1 A 93 93 TYR CA C 93 58.603 60.858 -2.255 1
1 941 . 1 1 1 A 93 93 TYR CB C 93 37.762 38.852 -1.090 1
1 942 . 1 1 1 A 93 93 TYR N N 93 126.998 122.657 4.341 1
1 943 . 1 1 1 A 94 94 GLY H H 94 8.467 7.934 0.533 1
1 944 . 1 1 1 A 94 94 GLY HA2 H 94 3.633 4.117 -0.484 1
1 945 . 1 1 1 A 94 94 GLY HA3 H 94 3.888 4.127 -0.239 1
1 946 . 1 1 1 A 94 94 GLY CA C 94 47.023 43.768 3.255 1
1 947 . 1 1 1 A 94 94 GLY N N 94 108.486 105.551 2.935 1
1 948 . 1 1 1 A 95 95 ALA H H 95 7.636 8.578 -0.942 1
1 949 . 1 1 1 A 95 95 ALA HA H 95 4.151 4.478 -0.327 1
1 953 . 1 1 1 A 95 95 ALA CA C 95 53.326 52.918 0.408 1
1 954 . 1 1 1 A 95 95 ALA CB C 95 18.831 18.882 -0.051 1
1 955 . 1 1 1 A 96 96 ARG H H 96 7.910 7.934 -0.024 1
1 956 . 1 1 1 A 96 96 ARG HA H 96 4.227 4.190 0.037 1
1 963 . 1 1 1 A 96 96 ARG CA C 96 57.514 58.045 -0.531 1
1 964 . 1 1 1 A 96 96 ARG CB C 96 31.353 31.106 0.247 1
1 967 . 1 1 1 A 96 96 ARG N N 96 115.669 117.831 -2.162 1
1 968 . 1 1 1 A 97 97 GLY H H 97 6.917 7.911 -0.994 1
1 969 . 1 1 1 A 97 97 GLY HA2 H 97 3.272 4.035 -0.763 1
1 970 . 1 1 1 A 97 97 GLY HA3 H 97 3.908 4.073 -0.165 1
1 971 . 1 1 1 A 97 97 GLY CA C 97 44.693 44.928 -0.235 1
1 972 . 1 1 1 A 97 97 GLY N N 97 103.795 107.196 -3.401 1
1 973 . 1 1 1 A 98 98 ALA H H 98 8.187 8.483 -0.296 1
1 974 . 1 1 1 A 98 98 ALA HA H 98 4.287 4.584 -0.297 1
1 978 . 1 1 1 A 98 98 ALA CA C 98 52.717 51.441 1.276 1
1 979 . 1 1 1 A 98 98 ALA CB C 98 20.563 20.108 0.455 1
1 980 . 1 1 1 A 98 98 ALA N N 98 118.770 120.970 -2.200 1
1 981 . 1 1 1 A 99 99 GLY H H 99 8.904 7.329 1.575 1
1 982 . 1 1 1 A 99 99 GLY HA2 H 99 3.670 4.199 -0.529 1
1 983 . 1 1 1 A 99 99 GLY HA3 H 99 3.854 4.204 -0.350 1
1 984 . 1 1 1 A 99 99 GLY CA C 99 46.848 45.434 1.414 1
1 985 . 1 1 1 A 99 99 GLY N N 99 109.717 106.654 3.063 1
1 986 . 1 1 1 A 100 100 GLY H H 100 8.759 8.989 -0.230 1
1 987 . 1 1 1 A 100 100 GLY HA2 H 100 3.719 3.865 -0.146 1
1 988 . 1 1 1 A 100 100 GLY HA3 H 100 4.041 3.867 0.174 1
1 989 . 1 1 1 A 100 100 GLY CA C 100 45.655 47.424 -1.769 1
1 990 . 1 1 1 A 100 100 GLY N N 100 110.895 108.826 2.069 1
1 991 . 1 1 1 A 101 101 VAL H H 101 7.631 8.127 -0.496 1
1 992 . 1 1 1 A 101 101 VAL HA H 101 4.226 4.098 0.128 1
1 1000 . 1 1 1 A 101 101 VAL CA C 101 62.518 63.688 -1.170 1
1 1001 . 1 1 1 A 101 101 VAL CB C 101 34.660 31.901 2.759 1
1 1004 . 1 1 1 A 101 101 VAL N N 101 115.165 121.480 -6.315 1
1 1005 . 1 1 1 A 102 102 ILE H H 102 7.686 7.691 -0.005 1
1 1006 . 1 1 1 A 102 102 ILE HA H 102 4.351 4.402 -0.051 1
1 1016 . 1 1 1 A 102 102 ILE CA C 102 57.498 57.999 -0.501 1
1 1017 . 1 1 1 A 102 102 ILE CB C 102 38.189 38.645 -0.456 1
1 1021 . 1 1 1 A 102 102 ILE N N 102 120.043 123.450 -3.407 1
1 1022 . 1 1 1 A 103 103 PRO HA H 103 4.727 4.712 0.015 1
1 1029 . 1 1 1 A 103 103 PRO CA C 103 61.614 61.720 -0.106 1
1 1030 . 1 1 1 A 103 103 PRO CB C 103 31.055 32.523 -1.468 1
1 1033 . 1 1 1 A 104 104 PRO HA H 104 3.778 4.451 -0.673 1
1 1040 . 1 1 1 A 104 104 PRO CA C 104 63.599 64.774 -1.175 1
1 1041 . 1 1 1 A 104 104 PRO CB C 104 33.183 31.794 1.389 1
1 1044 . 1 1 1 A 105 105 ASN H H 105 8.581 8.217 0.364 1
1 1045 . 1 1 1 A 105 105 ASN HA H 105 3.928 5.022 -1.094 1
1 1050 . 1 1 1 A 105 105 ASN CA C 105 54.447 52.465 1.982 1
1 1051 . 1 1 1 A 105 105 ASN CB C 105 37.280 38.778 -1.498 1
1 1052 . 1 1 1 A 105 105 ASN N N 105 117.269 115.288 1.981 1
1 1054 . 1 1 1 A 106 106 ALA H H 106 7.637 7.152 0.485 1
1 1055 . 1 1 1 A 106 106 ALA HA H 106 4.456 4.280 0.176 1
1 1059 . 1 1 1 A 106 106 ALA CA C 106 52.493 52.544 -0.051 1
1 1060 . 1 1 1 A 106 106 ALA CB C 106 20.938 19.631 1.307 1
1 1061 . 1 1 1 A 106 106 ALA N N 106 121.257 122.132 -0.875 1
1 1062 . 1 1 1 A 107 107 THR H H 107 8.492 8.659 -0.167 1
1 1063 . 1 1 1 A 107 107 THR HA H 107 4.781 5.169 -0.388 1
1 1068 . 1 1 1 A 107 107 THR CA C 107 63.319 61.611 1.708 1
1 1069 . 1 1 1 A 107 107 THR CB C 107 69.430 71.753 -2.323 1
1 1071 . 1 1 1 A 107 107 THR N N 107 121.742 115.923 5.819 1
1 1072 . 1 1 1 A 108 108 LEU H H 108 8.900 8.743 0.157 1
1 1073 . 1 1 1 A 108 108 LEU HA H 108 5.132 5.183 -0.051 1
1 1083 . 1 1 1 A 108 108 LEU CA C 108 52.950 53.575 -0.625 1
1 1084 . 1 1 1 A 108 108 LEU CB C 108 46.730 45.608 1.122 1
1 1088 . 1 1 1 A 108 108 LEU N N 108 125.279 125.205 0.074 1
1 1089 . 1 1 1 A 109 109 VAL H H 109 8.933 9.090 -0.157 1
1 1090 . 1 1 1 A 109 109 VAL HA H 109 5.532 5.144 0.388 1
1 1098 . 1 1 1 A 109 109 VAL CA C 109 60.793 60.308 0.485 1
1 1099 . 1 1 1 A 109 109 VAL CB C 109 34.138 33.887 0.251 1
1 1102 . 1 1 1 A 109 109 VAL N N 109 122.496 120.449 2.047 1
1 1103 . 1 1 1 A 110 110 PHE H H 110 9.737 9.300 0.437 1
1 1104 . 1 1 1 A 110 110 PHE HA H 110 6.457 5.281 1.176 1
1 1112 . 1 1 1 A 110 110 PHE CA C 110 55.265 55.844 -0.579 1
1 1113 . 1 1 1 A 110 110 PHE CB C 110 44.818 42.438 2.380 1
1 1114 . 1 1 1 A 110 110 PHE N N 110 121.114 122.384 -1.270 1
1 1115 . 1 1 1 A 111 111 GLU H H 111 9.223 8.092 1.131 1
1 1116 . 1 1 1 A 111 111 GLU HA H 111 5.202 4.348 0.854 1
1 1121 . 1 1 1 A 111 111 GLU CA C 111 56.709 55.675 1.034 1
1 1122 . 1 1 1 A 111 111 GLU CB C 111 32.338 29.819 2.519 1
1 1124 . 1 1 1 A 111 111 GLU N N 111 122.210 123.504 -1.294 1
1 1125 . 1 1 1 A 112 112 VAL H H 112 9.269 8.494 0.775 1
1 1126 . 1 1 1 A 112 112 VAL HA H 112 4.796 4.742 0.054 1
1 1134 . 1 1 1 A 112 112 VAL CA C 112 61.127 61.576 -0.449 1
1 1135 . 1 1 1 A 112 112 VAL CB C 112 34.634 32.840 1.794 1
1 1136 . 1 1 1 A 112 112 VAL N N 112 126.195 127.451 -1.256 1
1 1137 . 1 1 1 A 113 113 GLU H H 113 9.545 8.871 0.674 1
1 1138 . 1 1 1 A 113 113 GLU HA H 113 5.483 4.996 0.487 1
1 1143 . 1 1 1 A 113 113 GLU CA C 113 53.159 55.096 -1.937 1
1 1144 . 1 1 1 A 113 113 GLU CB C 113 32.657 31.380 1.277 1
1 1146 . 1 1 1 A 113 113 GLU N N 113 128.111 127.146 0.965 1
1 1147 . 1 1 1 A 114 114 LEU H H 114 8.261 8.581 -0.320 1
1 1148 . 1 1 1 A 114 114 LEU HA H 114 4.634 4.356 0.278 1
1 1158 . 1 1 1 A 114 114 LEU CA C 114 55.217 56.261 -1.044 1
1 1159 . 1 1 1 A 114 114 LEU CB C 114 41.826 42.380 -0.554 1
1 1163 . 1 1 1 A 114 114 LEU N N 114 126.273 128.007 -1.734 1
1 1164 . 1 1 1 A 115 115 LEU H H 115 9.258 8.880 0.378 1
1 1165 . 1 1 1 A 115 115 LEU HA H 115 4.453 4.448 0.005 1
1 1175 . 1 1 1 A 115 115 LEU CA C 115 55.791 56.098 -0.307 1
1 1176 . 1 1 1 A 115 115 LEU CB C 115 42.897 42.658 0.239 1
1 1180 . 1 1 1 A 115 115 LEU N N 115 130.031 127.568 2.463 1
1 1181 . 1 1 1 A 116 116 ASP H H 116 7.748 7.167 0.581 1
1 1182 . 1 1 1 A 116 116 ASP HA H 116 4.672 4.926 -0.254 1
1 1185 . 1 1 1 A 116 116 ASP CA C 116 54.385 53.615 0.770 1
1 1186 . 1 1 1 A 116 116 ASP CB C 116 43.828 43.941 -0.113 1
1 1187 . 1 1 1 A 116 116 ASP N N 116 115.338 113.353 1.985 1
1 1 . 2 1 1 A 3 3 GLY H H 3 8.684 8.311 0.373 1
1 2 . 2 1 1 A 3 3 GLY HA2 H 3 3.959 4.256 -0.297 1
1 3 . 2 1 1 A 3 3 GLY HA3 H 3 3.959 4.257 -0.298 1
1 4 . 2 1 1 A 3 3 GLY N N 3 110.167 106.643 3.524 1
1 5 . 2 1 1 A 4 4 SER H H 4 8.315 8.769 -0.454 1
1 6 . 2 1 1 A 4 4 SER HA H 4 4.468 5.296 -0.828 1
1 9 . 2 1 1 A 4 4 SER CA C 4 58.355 57.659 0.696 1
1 10 . 2 1 1 A 4 4 SER N N 4 115.851 116.447 -0.596 1
1 11 . 2 1 1 A 5 5 MET H H 5 8.640 8.926 -0.286 1
1 12 . 2 1 1 A 5 5 MET HA H 5 4.554 5.036 -0.482 1
1 17 . 2 1 1 A 5 5 MET CA C 5 55.754 54.669 1.085 1
1 18 . 2 1 1 A 5 5 MET CB C 5 32.870 34.122 -1.252 1
1 20 . 2 1 1 A 5 5 MET N N 5 122.413 123.800 -1.387 1
1 21 . 2 1 1 A 6 6 THR H H 6 8.265 8.933 -0.668 1
1 22 . 2 1 1 A 6 6 THR HA H 6 4.296 5.027 -0.731 1
1 27 . 2 1 1 A 6 6 THR CA C 6 62.224 60.020 2.204 1
1 28 . 2 1 1 A 6 6 THR CB C 6 69.806 70.985 -1.179 1
1 30 . 2 1 1 A 6 6 THR N N 6 116.270 118.863 -2.593 1
1 31 . 2 1 1 A 7 7 VAL H H 7 8.068 8.959 -0.891 1
1 32 . 2 1 1 A 7 7 VAL HA H 7 4.200 4.473 -0.273 1
1 40 . 2 1 1 A 7 7 VAL CA C 7 62.021 60.651 1.370 1
1 41 . 2 1 1 A 7 7 VAL CB C 7 32.773 33.227 -0.454 1
1 44 . 2 1 1 A 7 7 VAL N N 7 124.632 127.606 -2.974 1
1 45 . 2 1 1 A 8 8 VAL H H 8 8.985 8.356 0.629 1
1 46 . 2 1 1 A 8 8 VAL HA H 8 3.872 4.515 -0.643 1
1 54 . 2 1 1 A 8 8 VAL CA C 8 61.848 61.042 0.806 1
1 55 . 2 1 1 A 8 8 VAL CB C 8 33.157 33.667 -0.510 1
1 58 . 2 1 1 A 8 8 VAL N N 8 132.503 129.882 2.621 1
1 59 . 2 1 1 A 9 9 THR H H 9 8.213 8.861 -0.648 1
1 60 . 2 1 1 A 9 9 THR HA H 9 5.250 5.067 0.183 1
1 65 . 2 1 1 A 9 9 THR CA C 9 61.040 61.285 -0.245 1
1 66 . 2 1 1 A 9 9 THR CB C 9 69.773 71.041 -1.268 1
1 68 . 2 1 1 A 9 9 THR N N 9 121.386 122.817 -1.431 1
1 69 . 2 1 1 A 10 10 THR H H 10 9.318 8.799 0.519 1
1 70 . 2 1 1 A 10 10 THR HA H 10 4.693 4.797 -0.104 1
1 75 . 2 1 1 A 10 10 THR CA C 10 60.077 60.496 -0.419 1
1 76 . 2 1 1 A 10 10 THR CB C 10 70.131 71.234 -1.103 1
1 78 . 2 1 1 A 10 10 THR N N 10 119.882 116.289 3.593 1
1 79 . 2 1 1 A 11 11 GLU H H 11 9.051 8.820 0.231 1
1 80 . 2 1 1 A 11 11 GLU HA H 11 4.028 4.112 -0.084 1
1 85 . 2 1 1 A 11 11 GLU CA C 11 59.072 59.320 -0.248 1
1 86 . 2 1 1 A 11 11 GLU CB C 11 29.516 29.515 0.001 1
1 88 . 2 1 1 A 11 11 GLU N N 11 120.586 120.770 -0.184 1
1 89 . 2 1 1 A 12 12 SER H H 12 8.445 7.749 0.696 1
1 90 . 2 1 1 A 12 12 SER HA H 12 4.302 4.459 -0.157 1
1 93 . 2 1 1 A 12 12 SER CA C 12 58.483 59.275 -0.792 1
1 94 . 2 1 1 A 12 12 SER CB C 12 63.034 63.982 -0.948 1
1 95 . 2 1 1 A 12 12 SER N N 12 114.574 113.594 0.980 1
1 96 . 2 1 1 A 13 13 GLY H H 13 7.798 7.540 0.258 1
1 97 . 2 1 1 A 13 13 GLY HA2 H 13 3.425 4.065 -0.640 1
1 98 . 2 1 1 A 13 13 GLY HA3 H 13 4.401 4.065 0.336 1
1 99 . 2 1 1 A 13 13 GLY CA C 13 44.276 45.453 -1.177 1
1 100 . 2 1 1 A 13 13 GLY N N 13 109.024 108.670 0.354 1
1 101 . 2 1 1 A 14 14 LEU H H 14 7.501 7.863 -0.362 1
1 102 . 2 1 1 A 14 14 LEU HA H 14 3.967 4.512 -0.545 1
1 112 . 2 1 1 A 14 14 LEU CA C 14 56.343 55.854 0.489 1
1 113 . 2 1 1 A 14 14 LEU CB C 14 41.856 42.904 -1.048 1
1 117 . 2 1 1 A 14 14 LEU N N 14 123.870 123.450 0.420 1
1 118 . 2 1 1 A 15 15 LYS H H 15 7.812 8.416 -0.604 1
1 119 . 2 1 1 A 15 15 LYS HA H 15 5.942 5.208 0.734 1
1 127 . 2 1 1 A 15 15 LYS CA C 15 54.052 54.402 -0.350 1
1 128 . 2 1 1 A 15 15 LYS CB C 15 36.289 35.660 0.629 1
1 132 . 2 1 1 A 15 15 LYS N N 15 123.667 125.199 -1.532 1
1 133 . 2 1 1 A 16 16 TYR H H 16 9.289 8.995 0.294 1
1 134 . 2 1 1 A 16 16 TYR HA H 16 5.996 5.591 0.405 1
1 141 . 2 1 1 A 16 16 TYR CA C 16 55.784 56.275 -0.491 1
1 142 . 2 1 1 A 16 16 TYR CB C 16 43.297 42.272 1.025 1
1 143 . 2 1 1 A 16 16 TYR N N 16 117.890 117.664 0.226 1
1 144 . 2 1 1 A 17 17 GLU H H 17 8.728 8.857 -0.129 1
1 145 . 2 1 1 A 17 17 GLU HA H 17 4.860 4.643 0.217 1
1 150 . 2 1 1 A 17 17 GLU CA C 17 54.072 55.015 -0.943 1
1 151 . 2 1 1 A 17 17 GLU CB C 17 35.222 33.502 1.720 1
1 152 . 2 1 1 A 17 17 GLU N N 17 118.386 120.337 -1.951 1
1 153 . 2 1 1 A 18 18 ASP H H 18 9.596 9.025 0.571 1
1 154 . 2 1 1 A 18 18 ASP HA H 18 5.296 4.662 0.634 1
1 157 . 2 1 1 A 18 18 ASP CA C 18 55.695 54.915 0.780 1
1 158 . 2 1 1 A 18 18 ASP CB C 18 40.940 40.945 -0.005 1
1 159 . 2 1 1 A 18 18 ASP N N 18 127.059 126.919 0.140 1
1 160 . 2 1 1 A 19 19 LEU H H 19 8.609 9.063 -0.454 1
1 161 . 2 1 1 A 19 19 LEU HA H 19 4.275 4.590 -0.315 1
1 171 . 2 1 1 A 19 19 LEU CA C 19 56.923 55.860 1.063 1
1 172 . 2 1 1 A 19 19 LEU CB C 19 41.074 43.753 -2.679 1
1 176 . 2 1 1 A 19 19 LEU N N 19 128.620 124.449 4.171 1
1 177 . 2 1 1 A 20 20 THR H H 20 8.136 8.110 0.026 1
1 178 . 2 1 1 A 20 20 THR HA H 20 4.400 4.819 -0.419 1
1 183 . 2 1 1 A 20 20 THR CA C 20 61.835 61.392 0.443 1
1 184 . 2 1 1 A 20 20 THR CB C 20 72.411 71.749 0.662 1
1 186 . 2 1 1 A 20 20 THR N N 20 112.473 111.623 0.850 1
1 187 . 2 1 1 A 21 21 GLU H H 21 9.354 8.793 0.561 1
1 188 . 2 1 1 A 21 21 GLU HA H 21 4.370 4.352 0.018 1
1 193 . 2 1 1 A 21 21 GLU CA C 21 56.277 55.645 0.632 1
1 194 . 2 1 1 A 21 21 GLU CB C 21 30.368 30.270 0.098 1
1 196 . 2 1 1 A 21 21 GLU N N 21 130.043 126.362 3.681 1
1 197 . 2 1 1 A 22 22 GLY H H 22 9.071 8.542 0.529 1
1 198 . 2 1 1 A 22 22 GLY HA2 H 22 3.446 4.132 -0.686 1
1 199 . 2 1 1 A 22 22 GLY HA3 H 22 3.742 4.132 -0.390 1
1 200 . 2 1 1 A 22 22 GLY CA C 22 45.343 45.664 -0.321 1
1 201 . 2 1 1 A 22 22 GLY N N 22 113.930 109.639 4.291 1
1 202 . 2 1 1 A 23 23 SER H H 23 8.040 8.309 -0.269 1
1 203 . 2 1 1 A 23 23 SER HA H 23 4.671 4.152 0.519 1
1 206 . 2 1 1 A 23 23 SER CA C 23 57.488 59.129 -1.641 1
1 207 . 2 1 1 A 23 23 SER CB C 23 65.069 61.724 3.345 1
1 208 . 2 1 1 A 23 23 SER N N 23 111.747 115.136 -3.389 1
1 209 . 2 1 1 A 24 24 GLY H H 24 8.418 8.112 0.306 1
1 210 . 2 1 1 A 24 24 GLY HA2 H 24 3.693 4.149 -0.456 1
1 211 . 2 1 1 A 24 24 GLY HA3 H 24 4.328 4.150 0.178 1
1 212 . 2 1 1 A 24 24 GLY CA C 24 44.138 45.220 -1.082 1
1 213 . 2 1 1 A 24 24 GLY N N 24 111.391 107.087 4.304 1
1 214 . 2 1 1 A 25 25 ALA H H 25 8.342 8.468 -0.126 1
1 215 . 2 1 1 A 25 25 ALA HA H 25 4.061 5.068 -1.007 1
1 219 . 2 1 1 A 25 25 ALA CA C 25 52.551 50.247 2.304 1
1 220 . 2 1 1 A 25 25 ALA CB C 25 19.752 21.066 -1.314 1
1 221 . 2 1 1 A 25 25 ALA N N 25 123.675 124.754 -1.079 1
1 222 . 2 1 1 A 26 26 GLU H H 26 8.194 8.550 -0.356 1
1 223 . 2 1 1 A 26 26 GLU HA H 26 4.498 4.484 0.014 1
1 228 . 2 1 1 A 26 26 GLU CA C 26 55.174 56.125 -0.951 1
1 229 . 2 1 1 A 26 26 GLU CB C 26 31.906 30.668 1.238 1
1 231 . 2 1 1 A 26 26 GLU N N 26 119.186 122.857 -3.671 1
1 232 . 2 1 1 A 27 27 ALA H H 27 8.930 8.181 0.749 1
1 233 . 2 1 1 A 27 27 ALA HA H 27 4.527 4.297 0.230 1
1 237 . 2 1 1 A 27 27 ALA CA C 27 51.815 52.860 -1.045 1
1 238 . 2 1 1 A 27 27 ALA CB C 27 19.057 19.245 -0.188 1
1 239 . 2 1 1 A 27 27 ALA N N 27 127.513 126.864 0.649 1
1 240 . 2 1 1 A 28 28 ARG H H 28 8.348 8.876 -0.528 1
1 241 . 2 1 1 A 28 28 ARG HA H 28 4.563 4.888 -0.325 1
1 246 . 2 1 1 A 28 28 ARG CA C 28 53.584 53.818 -0.234 1
1 247 . 2 1 1 A 28 28 ARG CB C 28 33.571 33.787 -0.216 1
1 250 . 2 1 1 A 28 28 ARG N N 28 124.054 120.494 3.560 1
1 251 . 2 1 1 A 29 29 ALA H H 29 8.387 8.636 -0.249 1
1 252 . 2 1 1 A 29 29 ALA HA H 29 3.594 3.910 -0.316 1
1 256 . 2 1 1 A 29 29 ALA CA C 29 53.535 53.890 -0.355 1
1 257 . 2 1 1 A 29 29 ALA CB C 29 17.781 18.404 -0.623 1
1 258 . 2 1 1 A 29 29 ALA N N 29 122.289 126.778 -4.489 1
1 259 . 2 1 1 A 30 30 GLY H H 30 9.043 9.016 0.027 1
1 260 . 2 1 1 A 30 30 GLY HA2 H 30 3.451 4.005 -0.554 1
1 261 . 2 1 1 A 30 30 GLY HA3 H 30 4.378 4.006 0.372 1
1 262 . 2 1 1 A 30 30 GLY CA C 30 44.562 45.066 -0.504 1
1 263 . 2 1 1 A 30 30 GLY N N 30 110.956 111.107 -0.151 1
1 264 . 2 1 1 A 31 31 GLN H H 31 7.620 7.647 -0.027 1
1 265 . 2 1 1 A 31 31 GLN HA H 31 4.343 4.669 -0.326 1
1 272 . 2 1 1 A 31 31 GLN CA C 31 55.410 55.053 0.357 1
1 273 . 2 1 1 A 31 31 GLN CB C 31 30.151 30.635 -0.484 1
1 275 . 2 1 1 A 31 31 GLN N N 31 119.756 118.073 1.683 1
1 277 . 2 1 1 A 32 32 THR H H 32 8.793 8.544 0.249 1
1 278 . 2 1 1 A 32 32 THR HA H 32 4.463 5.018 -0.555 1
1 283 . 2 1 1 A 32 32 THR CA C 32 63.072 62.124 0.948 1
1 284 . 2 1 1 A 32 32 THR CB C 32 68.380 70.469 -2.089 1
1 286 . 2 1 1 A 32 32 THR N N 32 119.718 117.953 1.765 1
1 287 . 2 1 1 A 33 33 VAL H H 33 8.393 8.865 -0.472 1
1 288 . 2 1 1 A 33 33 VAL HA H 33 4.712 4.907 -0.195 1
1 296 . 2 1 1 A 33 33 VAL CA C 33 58.274 59.261 -0.987 1
1 297 . 2 1 1 A 33 33 VAL CB C 33 33.309 36.273 -2.964 1
1 300 . 2 1 1 A 33 33 VAL N N 33 120.513 118.894 1.619 1
1 301 . 2 1 1 A 34 34 SER H H 34 7.865 8.529 -0.664 1
1 302 . 2 1 1 A 34 34 SER HA H 34 5.262 5.202 0.060 1
1 305 . 2 1 1 A 34 34 SER CA C 34 56.443 57.755 -1.312 1
1 306 . 2 1 1 A 34 34 SER CB C 34 64.882 64.126 0.756 1
1 307 . 2 1 1 A 34 34 SER N N 34 113.652 118.438 -4.786 1
1 308 . 2 1 1 A 35 35 VAL H H 35 9.531 9.386 0.145 1
1 309 . 2 1 1 A 35 35 VAL HA H 35 5.715 5.372 0.343 1
1 317 . 2 1 1 A 35 35 VAL CA C 35 58.226 58.793 -0.567 1
1 318 . 2 1 1 A 35 35 VAL CB C 35 35.412 35.854 -0.442 1
1 321 . 2 1 1 A 35 35 VAL N N 35 117.985 119.359 -1.374 1
1 322 . 2 1 1 A 36 36 HIS H H 36 8.812 9.072 -0.260 1
1 323 . 2 1 1 A 36 36 HIS HA H 36 5.784 5.574 0.210 1
1 328 . 2 1 1 A 36 36 HIS CA C 36 54.671 53.586 1.085 1
1 329 . 2 1 1 A 36 36 HIS CB C 36 35.786 32.737 3.049 1
1 330 . 2 1 1 A 36 36 HIS N N 36 118.227 120.191 -1.964 1
1 331 . 2 1 1 A 37 37 TYR H H 37 9.680 8.806 0.874 1
1 332 . 2 1 1 A 37 37 TYR HA H 37 6.201 5.892 0.309 1
1 339 . 2 1 1 A 37 37 TYR CA C 37 56.280 55.540 0.740 1
1 340 . 2 1 1 A 37 37 TYR CB C 37 43.791 41.005 2.786 1
1 341 . 2 1 1 A 37 37 TYR N N 37 116.878 120.009 -3.131 1
1 342 . 2 1 1 A 38 38 THR H H 38 8.478 8.785 -0.307 1
1 343 . 2 1 1 A 38 38 THR HA H 38 4.374 4.670 -0.296 1
1 348 . 2 1 1 A 38 38 THR CA C 38 62.692 60.157 2.535 1
1 349 . 2 1 1 A 38 38 THR CB C 38 71.675 69.597 2.078 1
1 351 . 2 1 1 A 38 38 THR N N 38 117.172 118.390 -1.218 1
1 352 . 2 1 1 A 39 39 GLY H H 39 8.332 8.446 -0.114 1
1 353 . 2 1 1 A 39 39 GLY HA2 H 39 1.943 2.376 -0.433 1
1 354 . 2 1 1 A 39 39 GLY HA3 H 39 4.624 3.071 1.553 1
1 355 . 2 1 1 A 39 39 GLY CA C 39 44.767 45.155 -0.388 1
1 356 . 2 1 1 A 39 39 GLY N N 39 113.042 112.517 0.525 1
1 357 . 2 1 1 A 40 40 TRP H H 40 9.669 8.755 0.914 1
1 358 . 2 1 1 A 40 40 TRP HA H 40 5.499 5.360 0.139 1
1 366 . 2 1 1 A 40 40 TRP CA C 40 57.026 56.055 0.971 1
1 367 . 2 1 1 A 40 40 TRP CB C 40 34.177 32.154 2.023 1
1 368 . 2 1 1 A 40 40 TRP N N 40 123.550 125.575 -2.025 1
1 370 . 2 1 1 A 41 41 LEU H H 41 8.699 9.155 -0.456 1
1 371 . 2 1 1 A 41 41 LEU HA H 41 5.056 4.702 0.354 1
1 381 . 2 1 1 A 41 41 LEU CA C 41 54.040 53.638 0.402 1
1 382 . 2 1 1 A 41 41 LEU CB C 41 41.981 42.777 -0.796 1
1 386 . 2 1 1 A 41 41 LEU N N 41 119.318 123.974 -4.656 1
1 387 . 2 1 1 A 42 42 THR H H 42 9.418 8.853 0.565 1
1 388 . 2 1 1 A 42 42 THR HA H 42 3.962 4.019 -0.057 1
1 393 . 2 1 1 A 42 42 THR CA C 42 65.117 64.957 0.160 1
1 394 . 2 1 1 A 42 42 THR CB C 42 68.693 68.486 0.207 1
1 396 . 2 1 1 A 42 42 THR N N 42 112.465 116.655 -4.190 1
1 397 . 2 1 1 A 43 43 ASP H H 43 7.690 7.981 -0.291 1
1 398 . 2 1 1 A 43 43 ASP HA H 43 4.538 4.574 -0.036 1
1 401 . 2 1 1 A 43 43 ASP CA C 43 53.655 54.106 -0.451 1
1 402 . 2 1 1 A 43 43 ASP CB C 43 40.109 41.167 -1.058 1
1 403 . 2 1 1 A 43 43 ASP N N 43 118.952 119.806 -0.854 1
1 404 . 2 1 1 A 44 44 GLY H H 44 8.043 8.124 -0.081 1
1 405 . 2 1 1 A 44 44 GLY HA2 H 44 3.521 3.871 -0.350 1
1 406 . 2 1 1 A 44 44 GLY HA3 H 44 4.318 3.875 0.443 1
1 407 . 2 1 1 A 44 44 GLY CA C 44 44.869 45.000 -0.131 1
1 408 . 2 1 1 A 44 44 GLY N N 44 107.790 106.201 1.589 1
1 409 . 2 1 1 A 45 45 GLN H H 45 8.355 7.855 0.500 1
1 410 . 2 1 1 A 45 45 GLN HA H 45 4.319 4.493 -0.174 1
1 417 . 2 1 1 A 45 45 GLN CA C 45 56.909 55.188 1.721 1
1 418 . 2 1 1 A 45 45 GLN CB C 45 29.837 30.194 -0.357 1
1 420 . 2 1 1 A 45 45 GLN N N 45 121.541 119.536 2.005 1
1 422 . 2 1 1 A 46 46 LYS H H 46 8.915 8.651 0.264 1
1 423 . 2 1 1 A 46 46 LYS HA H 46 4.454 4.739 -0.285 1
1 432 . 2 1 1 A 46 46 LYS CA C 46 55.782 55.785 -0.003 1
1 433 . 2 1 1 A 46 46 LYS CB C 46 33.097 33.654 -0.557 1
1 437 . 2 1 1 A 46 46 LYS N N 46 129.310 124.887 4.423 1
1 438 . 2 1 1 A 47 47 PHE H H 47 8.440 8.897 -0.457 1
1 439 . 2 1 1 A 47 47 PHE HA H 47 5.103 4.994 0.109 1
1 447 . 2 1 1 A 47 47 PHE CA C 47 56.272 56.578 -0.306 1
1 448 . 2 1 1 A 47 47 PHE CB C 47 41.094 40.912 0.182 1
1 449 . 2 1 1 A 47 47 PHE N N 47 122.874 121.859 1.015 1
1 450 . 2 1 1 A 48 48 ASP H H 48 6.744 7.531 -0.787 1
1 451 . 2 1 1 A 48 48 ASP HA H 48 4.790 4.842 -0.052 1
1 454 . 2 1 1 A 48 48 ASP CA C 48 54.518 54.281 0.237 1
1 455 . 2 1 1 A 48 48 ASP CB C 48 43.929 43.939 -0.010 1
1 456 . 2 1 1 A 48 48 ASP N N 48 118.152 119.885 -1.733 1
1 457 . 2 1 1 A 49 49 SER H H 49 8.122 8.548 -0.426 1
1 458 . 2 1 1 A 49 49 SER HA H 49 4.608 5.022 -0.414 1
1 461 . 2 1 1 A 49 49 SER CA C 49 56.963 57.363 -0.400 1
1 462 . 2 1 1 A 49 49 SER CB C 49 64.699 65.454 -0.755 1
1 463 . 2 1 1 A 49 49 SER N N 49 117.585 118.881 -1.296 1
1 464 . 2 1 1 A 50 50 SER H H 50 8.020 8.803 -0.783 1
1 465 . 2 1 1 A 50 50 SER HA H 50 4.045 4.184 -0.139 1
1 468 . 2 1 1 A 50 50 SER CA C 50 61.482 61.238 0.244 1
1 469 . 2 1 1 A 50 50 SER CB C 50 61.488 63.029 -1.541 1
1 470 . 2 1 1 A 50 50 SER N N 50 124.801 120.247 4.554 1
1 471 . 2 1 1 A 51 51 LYS H H 51 7.730 8.180 -0.450 1
1 472 . 2 1 1 A 51 51 LYS HA H 51 3.505 3.747 -0.242 1
1 481 . 2 1 1 A 51 51 LYS CA C 51 58.921 58.804 0.117 1
1 482 . 2 1 1 A 51 51 LYS CB C 51 31.346 31.257 0.089 1
1 486 . 2 1 1 A 51 51 LYS N N 51 124.103 118.578 5.525 1
1 487 . 2 1 1 A 52 52 ASP H H 52 7.324 7.680 -0.356 1
1 488 . 2 1 1 A 52 52 ASP HA H 52 4.284 4.422 -0.138 1
1 491 . 2 1 1 A 52 52 ASP CA C 52 56.524 56.327 0.197 1
1 492 . 2 1 1 A 52 52 ASP CB C 52 40.201 40.876 -0.675 1
1 493 . 2 1 1 A 52 52 ASP N N 52 118.971 119.780 -0.809 1
1 494 . 2 1 1 A 53 53 ARG H H 53 6.923 8.051 -1.128 1
1 495 . 2 1 1 A 53 53 ARG HA H 53 4.461 4.535 -0.074 1
1 502 . 2 1 1 A 53 53 ARG CA C 53 55.597 55.045 0.552 1
1 503 . 2 1 1 A 53 53 ARG CB C 53 31.289 30.586 0.703 1
1 506 . 2 1 1 A 53 53 ARG N N 53 114.803 119.208 -4.405 1
1 507 . 2 1 1 A 54 54 ASN H H 54 7.827 8.045 -0.218 1
1 508 . 2 1 1 A 54 54 ASN HA H 54 4.352 4.388 -0.036 1
1 513 . 2 1 1 A 54 54 ASN CA C 54 54.339 54.673 -0.334 1
1 514 . 2 1 1 A 54 54 ASN CB C 54 37.849 36.905 0.944 1
1 515 . 2 1 1 A 54 54 ASN N N 54 117.421 115.239 2.182 1
1 517 . 2 1 1 A 55 55 ASP H H 55 7.580 7.943 -0.363 1
1 518 . 2 1 1 A 55 55 ASP HA H 55 5.360 5.234 0.126 1
1 521 . 2 1 1 A 55 55 ASP CA C 55 51.697 50.936 0.761 1
1 522 . 2 1 1 A 55 55 ASP CB C 55 43.377 41.347 2.030 1
1 523 . 2 1 1 A 55 55 ASP N N 55 115.802 119.420 -3.618 1
1 524 . 2 1 1 A 56 56 PRO HA H 56 4.022 3.451 0.571 1
1 531 . 2 1 1 A 56 56 PRO CA C 56 63.115 62.198 0.917 1
1 532 . 2 1 1 A 56 56 PRO CB C 56 32.348 32.581 -0.233 1
1 535 . 2 1 1 A 57 57 PHE H H 57 9.207 8.516 0.691 1
1 536 . 2 1 1 A 57 57 PHE HA H 57 4.874 4.830 0.044 1
1 544 . 2 1 1 A 57 57 PHE CA C 57 57.290 57.422 -0.132 1
1 545 . 2 1 1 A 57 57 PHE CB C 57 42.517 40.430 2.087 1
1 546 . 2 1 1 A 57 57 PHE N N 57 124.509 123.612 0.897 1
1 547 . 2 1 1 A 58 58 ALA H H 58 7.942 8.795 -0.853 1
1 548 . 2 1 1 A 58 58 ALA HA H 58 5.928 5.858 0.070 1
1 552 . 2 1 1 A 58 58 ALA CA C 58 49.705 50.155 -0.450 1
1 553 . 2 1 1 A 58 58 ALA CB C 58 21.621 22.767 -1.146 1
1 554 . 2 1 1 A 58 58 ALA N N 58 130.661 129.905 0.756 1
1 555 . 2 1 1 A 59 59 PHE H H 59 8.455 8.796 -0.341 1
1 556 . 2 1 1 A 59 59 PHE HA H 59 4.660 5.065 -0.405 1
1 564 . 2 1 1 A 59 59 PHE CA C 59 55.610 56.111 -0.501 1
1 565 . 2 1 1 A 59 59 PHE CB C 59 40.857 40.709 0.148 1
1 566 . 2 1 1 A 59 59 PHE N N 59 114.967 116.247 -1.280 1
1 567 . 2 1 1 A 60 60 VAL H H 60 8.168 8.683 -0.515 1
1 568 . 2 1 1 A 60 60 VAL HA H 60 4.084 4.425 -0.341 1
1 576 . 2 1 1 A 60 60 VAL CA C 60 61.907 61.163 0.744 1
1 577 . 2 1 1 A 60 60 VAL CB C 60 31.564 33.277 -1.713 1
1 580 . 2 1 1 A 60 60 VAL N N 60 120.308 119.221 1.087 1
1 581 . 2 1 1 A 61 61 LEU H H 61 8.900 8.377 0.523 1
1 582 . 2 1 1 A 61 61 LEU HA H 61 4.248 3.885 0.363 1
1 592 . 2 1 1 A 61 61 LEU CA C 61 56.558 56.132 0.426 1
1 593 . 2 1 1 A 61 61 LEU CB C 61 41.736 41.959 -0.223 1
1 597 . 2 1 1 A 61 61 LEU N N 61 134.513 129.194 5.319 1
1 598 . 2 1 1 A 62 62 GLY H H 62 9.652 9.103 0.549 1
1 599 . 2 1 1 A 62 62 GLY HA2 H 62 3.558 3.946 -0.388 1
1 600 . 2 1 1 A 62 62 GLY HA3 H 62 4.154 3.974 0.180 1
1 601 . 2 1 1 A 62 62 GLY CA C 62 45.721 46.294 -0.573 1
1 602 . 2 1 1 A 62 62 GLY N N 62 119.352 114.280 5.072 1
1 603 . 2 1 1 A 63 63 GLY H H 63 8.338 8.346 -0.008 1
1 604 . 2 1 1 A 63 63 GLY HA2 H 63 3.557 3.854 -0.297 1
1 605 . 2 1 1 A 63 63 GLY HA3 H 63 4.298 3.904 0.394 1
1 606 . 2 1 1 A 63 63 GLY CA C 63 45.442 46.883 -1.441 1
1 607 . 2 1 1 A 63 63 GLY N N 63 107.002 108.216 -1.214 1
1 608 . 2 1 1 A 64 64 GLY H H 64 9.301 7.988 1.313 1
1 609 . 2 1 1 A 64 64 GLY HA2 H 64 4.057 4.075 -0.018 1
1 610 . 2 1 1 A 64 64 GLY HA3 H 64 4.057 4.082 -0.025 1
1 611 . 2 1 1 A 64 64 GLY CA C 64 46.425 45.331 1.094 1
1 612 . 2 1 1 A 64 64 GLY N N 64 112.092 107.236 4.856 1
1 613 . 2 1 1 A 65 65 MET H H 65 9.574 7.939 1.635 1
1 614 . 2 1 1 A 65 65 MET HA H 65 4.546 4.593 -0.047 1
1 619 . 2 1 1 A 65 65 MET CA C 65 55.641 55.817 -0.176 1
1 620 . 2 1 1 A 65 65 MET CB C 65 33.268 34.848 -1.580 1
1 622 . 2 1 1 A 65 65 MET N N 65 118.659 120.475 -1.816 1
1 623 . 2 1 1 A 66 66 VAL H H 66 6.867 7.335 -0.468 1
1 624 . 2 1 1 A 66 66 VAL HA H 66 4.454 4.020 0.434 1
1 632 . 2 1 1 A 66 66 VAL CA C 66 57.545 59.847 -2.302 1
1 633 . 2 1 1 A 66 66 VAL CB C 66 35.736 33.766 1.970 1
1 636 . 2 1 1 A 66 66 VAL N N 66 108.649 115.826 -7.177 1
1 637 . 2 1 1 A 67 67 ILE H H 67 7.158 8.239 -1.081 1
1 638 . 2 1 1 A 67 67 ILE HA H 67 3.894 4.397 -0.503 1
1 648 . 2 1 1 A 67 67 ILE CA C 67 62.065 59.943 2.122 1
1 649 . 2 1 1 A 67 67 ILE CB C 67 37.130 40.183 -3.053 1
1 653 . 2 1 1 A 67 67 ILE N N 67 111.614 117.802 -6.188 1
1 654 . 2 1 1 A 68 68 LYS H H 68 9.182 8.866 0.316 1
1 655 . 2 1 1 A 68 68 LYS HA H 68 4.241 3.968 0.273 1
1 664 . 2 1 1 A 68 68 LYS CA C 68 60.042 59.606 0.436 1
1 665 . 2 1 1 A 68 68 LYS CB C 68 33.366 32.338 1.028 1
1 669 . 2 1 1 A 68 68 LYS N N 68 125.685 123.112 2.573 1
1 670 . 2 1 1 A 69 69 GLY H H 69 9.653 8.346 1.307 1
1 671 . 2 1 1 A 69 69 GLY HA2 H 69 3.595 3.804 -0.209 1
1 672 . 2 1 1 A 69 69 GLY HA3 H 69 3.971 3.845 0.126 1
1 673 . 2 1 1 A 69 69 GLY CA C 69 47.597 47.393 0.204 1
1 674 . 2 1 1 A 69 69 GLY N N 69 102.438 107.133 -4.695 1
1 675 . 2 1 1 A 70 70 TRP H H 70 7.745 7.939 -0.194 1
1 676 . 2 1 1 A 70 70 TRP HA H 70 4.152 4.603 -0.451 1
1 684 . 2 1 1 A 70 70 TRP CA C 70 60.737 60.421 0.316 1
1 685 . 2 1 1 A 70 70 TRP CB C 70 29.185 28.346 0.839 1
1 686 . 2 1 1 A 70 70 TRP N N 70 120.118 121.529 -1.411 1
1 687 . 2 1 1 A 71 71 ASP H H 71 7.058 8.445 -1.387 1
1 688 . 2 1 1 A 71 71 ASP HA H 71 4.878 4.415 0.463 1
1 691 . 2 1 1 A 71 71 ASP CA C 71 57.165 57.764 -0.599 1
1 692 . 2 1 1 A 71 71 ASP CB C 71 40.749 42.182 -1.433 1
1 693 . 2 1 1 A 71 71 ASP N N 71 120.287 119.568 0.719 1
1 694 . 2 1 1 A 72 72 GLU H H 72 7.856 8.407 -0.551 1
1 695 . 2 1 1 A 72 72 GLU HA H 72 4.120 3.997 0.123 1
1 700 . 2 1 1 A 72 72 GLU CA C 72 58.236 59.297 -1.061 1
1 701 . 2 1 1 A 72 72 GLU CB C 72 30.409 29.246 1.163 1
1 703 . 2 1 1 A 72 72 GLU N N 72 114.126 119.327 -5.201 1
1 704 . 2 1 1 A 73 73 GLY H H 73 7.732 7.966 -0.234 1
1 705 . 2 1 1 A 73 73 GLY HA2 H 73 3.565 3.615 -0.050 1
1 706 . 2 1 1 A 73 73 GLY HA3 H 73 3.565 3.639 -0.074 1
1 707 . 2 1 1 A 73 73 GLY CA C 73 47.427 47.025 0.402 1
1 708 . 2 1 1 A 73 73 GLY N N 73 104.848 107.837 -2.989 1
1 709 . 2 1 1 A 74 74 VAL H H 74 8.138 8.372 -0.234 1
1 710 . 2 1 1 A 74 74 VAL HA H 74 3.630 3.778 -0.148 1
1 718 . 2 1 1 A 74 74 VAL CA C 74 63.679 65.731 -2.052 1
1 719 . 2 1 1 A 74 74 VAL CB C 74 31.206 31.354 -0.148 1
1 722 . 2 1 1 A 74 74 VAL N N 74 117.660 121.846 -4.186 1
1 723 . 2 1 1 A 75 75 GLN H H 75 6.431 8.516 -2.085 1
1 724 . 2 1 1 A 75 75 GLN HA H 75 3.598 4.195 -0.597 1
1 731 . 2 1 1 A 75 75 GLN CA C 75 58.343 56.208 2.135 1
1 732 . 2 1 1 A 75 75 GLN CB C 75 28.747 27.630 1.117 1
1 734 . 2 1 1 A 75 75 GLN N N 75 116.376 118.736 -2.360 1
1 736 . 2 1 1 A 76 76 GLY H H 76 8.577 7.872 0.705 1
1 737 . 2 1 1 A 76 76 GLY HA2 H 76 3.647 4.012 -0.365 1
1 738 . 2 1 1 A 76 76 GLY HA3 H 76 4.510 4.023 0.487 1
1 739 . 2 1 1 A 76 76 GLY CA C 76 45.092 45.874 -0.782 1
1 740 . 2 1 1 A 76 76 GLY N N 76 111.539 108.808 2.731 1
1 741 . 2 1 1 A 77 77 MET H H 77 7.609 7.655 -0.046 1
1 742 . 2 1 1 A 77 77 MET HA H 77 3.948 4.409 -0.461 1
1 747 . 2 1 1 A 77 77 MET CA C 77 58.260 55.967 2.293 1
1 748 . 2 1 1 A 77 77 MET CB C 77 34.641 32.925 1.716 1
1 750 . 2 1 1 A 77 77 MET N N 77 119.140 118.664 0.476 1
1 751 . 2 1 1 A 78 78 LYS H H 78 8.348 8.850 -0.502 1
1 752 . 2 1 1 A 78 78 LYS HA H 78 5.015 5.039 -0.024 1
1 761 . 2 1 1 A 78 78 LYS CA C 78 54.136 54.427 -0.291 1
1 762 . 2 1 1 A 78 78 LYS CB C 78 34.944 36.188 -1.244 1
1 766 . 2 1 1 A 78 78 LYS N N 78 119.308 119.532 -0.224 1
1 767 . 2 1 1 A 79 79 VAL H H 79 8.622 8.887 -0.265 1
1 768 . 2 1 1 A 79 79 VAL HA H 79 3.160 3.494 -0.334 1
1 776 . 2 1 1 A 79 79 VAL CA C 79 66.585 65.478 1.107 1
1 777 . 2 1 1 A 79 79 VAL CB C 79 31.690 31.317 0.373 1
1 780 . 2 1 1 A 79 79 VAL N N 79 123.215 122.121 1.094 1
1 781 . 2 1 1 A 80 80 GLY H H 80 8.623 8.837 -0.214 1
1 782 . 2 1 1 A 80 80 GLY HA2 H 80 3.901 4.040 -0.139 1
1 783 . 2 1 1 A 80 80 GLY HA3 H 80 4.654 4.045 0.609 1
1 784 . 2 1 1 A 80 80 GLY CA C 80 44.457 45.135 -0.678 1
1 785 . 2 1 1 A 80 80 GLY N N 80 115.910 114.845 1.065 1
1 786 . 2 1 1 A 81 81 GLY H H 81 9.283 8.359 0.924 1
1 787 . 2 1 1 A 81 81 GLY HA2 H 81 3.574 3.969 -0.395 1
1 788 . 2 1 1 A 81 81 GLY HA3 H 81 3.916 3.972 -0.056 1
1 789 . 2 1 1 A 81 81 GLY CA C 81 45.310 45.331 -0.021 1
1 790 . 2 1 1 A 81 81 GLY N N 81 111.030 108.276 2.754 1
1 791 . 2 1 1 A 82 82 VAL H H 82 8.403 8.700 -0.297 1
1 792 . 2 1 1 A 82 82 VAL HA H 82 5.141 5.141 0.000 1
1 800 . 2 1 1 A 82 82 VAL CA C 82 61.633 61.313 0.320 1
1 801 . 2 1 1 A 82 82 VAL CB C 82 34.572 34.471 0.101 1
1 804 . 2 1 1 A 82 82 VAL N N 82 119.626 124.004 -4.378 1
1 805 . 2 1 1 A 83 83 ARG H H 83 9.383 8.849 0.534 1
1 806 . 2 1 1 A 83 83 ARG HA H 83 5.354 5.086 0.268 1
1 813 . 2 1 1 A 83 83 ARG CA C 83 54.577 54.436 0.141 1
1 814 . 2 1 1 A 83 83 ARG CB C 83 35.933 34.033 1.900 1
1 817 . 2 1 1 A 83 83 ARG N N 83 130.545 124.470 6.075 1
1 818 . 2 1 1 A 84 84 ARG H H 84 9.618 8.540 1.078 1
1 819 . 2 1 1 A 84 84 ARG HA H 84 5.650 4.632 1.018 1
1 826 . 2 1 1 A 84 84 ARG CA C 84 54.383 55.661 -1.278 1
1 827 . 2 1 1 A 84 84 ARG CB C 84 32.969 30.959 2.010 1
1 830 . 2 1 1 A 84 84 ARG N N 84 127.552 120.272 7.280 1
1 831 . 2 1 1 A 85 85 LEU H H 85 10.121 9.418 0.703 1
1 832 . 2 1 1 A 85 85 LEU HA H 85 5.232 5.399 -0.167 1
1 842 . 2 1 1 A 85 85 LEU CA C 85 53.442 53.467 -0.025 1
1 843 . 2 1 1 A 85 85 LEU CB C 85 45.431 43.594 1.837 1
1 847 . 2 1 1 A 85 85 LEU N N 85 128.946 126.324 2.622 1
1 848 . 2 1 1 A 86 86 THR H H 86 9.594 9.008 0.586 1
1 849 . 2 1 1 A 86 86 THR HA H 86 5.081 4.750 0.331 1
1 854 . 2 1 1 A 86 86 THR CA C 86 63.525 62.453 1.072 1
1 855 . 2 1 1 A 86 86 THR CB C 86 68.690 69.346 -0.656 1
1 857 . 2 1 1 A 86 86 THR N N 86 121.842 120.245 1.597 1
1 858 . 2 1 1 A 87 87 ILE H H 87 10.109 9.104 1.005 1
1 859 . 2 1 1 A 87 87 ILE HA H 87 4.539 4.746 -0.207 1
1 869 . 2 1 1 A 87 87 ILE CA C 87 58.954 58.323 0.631 1
1 870 . 2 1 1 A 87 87 ILE CB C 87 40.704 38.788 1.916 1
1 874 . 2 1 1 A 87 87 ILE N N 87 129.512 128.465 1.047 1
1 875 . 2 1 1 A 88 88 PRO HA H 88 4.981 4.714 0.267 1
1 882 . 2 1 1 A 88 88 PRO CA C 88 61.675 61.855 -0.180 1
1 883 . 2 1 1 A 88 88 PRO CB C 88 30.917 32.634 -1.717 1
1 886 . 2 1 1 A 89 89 PRO HA H 89 4.439 4.318 0.121 1
1 893 . 2 1 1 A 89 89 PRO CA C 89 65.384 65.329 0.055 1
1 894 . 2 1 1 A 89 89 PRO CB C 89 30.913 32.090 -1.177 1
1 897 . 2 1 1 A 90 90 GLN H H 90 9.574 8.904 0.670 1
1 898 . 2 1 1 A 90 90 GLN HA H 90 4.296 4.196 0.100 1
1 905 . 2 1 1 A 90 90 GLN CA C 90 58.441 57.508 0.933 1
1 906 . 2 1 1 A 90 90 GLN CB C 90 26.402 27.393 -0.991 1
1 908 . 2 1 1 A 90 90 GLN N N 90 118.710 115.511 3.199 1
1 910 . 2 1 1 A 91 91 LEU H H 91 7.976 7.520 0.456 1
1 911 . 2 1 1 A 91 91 LEU HA H 91 4.636 4.625 0.011 1
1 921 . 2 1 1 A 91 91 LEU CA C 91 53.625 54.386 -0.761 1
1 922 . 2 1 1 A 91 91 LEU CB C 91 42.819 43.520 -0.701 1
1 926 . 2 1 1 A 91 91 LEU N N 91 119.302 118.327 0.975 1
1 927 . 2 1 1 A 92 92 GLY H H 92 7.717 7.843 -0.126 1
1 928 . 2 1 1 A 92 92 GLY HA2 H 92 3.258 4.196 -0.938 1
1 929 . 2 1 1 A 92 92 GLY HA3 H 92 4.121 4.242 -0.121 1
1 930 . 2 1 1 A 92 92 GLY CA C 92 45.183 45.953 -0.770 1
1 931 . 2 1 1 A 92 92 GLY N N 92 110.415 107.154 3.261 1
1 932 . 2 1 1 A 93 93 TYR H H 93 9.662 8.709 0.953 1
1 933 . 2 1 1 A 93 93 TYR HA H 93 4.513 4.239 0.274 1
1 940 . 2 1 1 A 93 93 TYR CA C 93 58.603 60.716 -2.113 1
1 941 . 2 1 1 A 93 93 TYR CB C 93 37.762 38.726 -0.964 1
1 942 . 2 1 1 A 93 93 TYR N N 93 126.998 122.362 4.636 1
1 943 . 2 1 1 A 94 94 GLY H H 94 8.467 7.960 0.507 1
1 944 . 2 1 1 A 94 94 GLY HA2 H 94 3.633 4.112 -0.479 1
1 945 . 2 1 1 A 94 94 GLY HA3 H 94 3.888 4.122 -0.234 1
1 946 . 2 1 1 A 94 94 GLY CA C 94 47.023 43.694 3.329 1
1 947 . 2 1 1 A 94 94 GLY N N 94 108.486 105.648 2.838 1
1 948 . 2 1 1 A 95 95 ALA H H 95 7.636 8.603 -0.967 1
1 949 . 2 1 1 A 95 95 ALA HA H 95 4.151 4.438 -0.287 1
1 953 . 2 1 1 A 95 95 ALA CA C 95 53.326 53.004 0.322 1
1 954 . 2 1 1 A 95 95 ALA CB C 95 18.831 18.883 -0.052 1
1 955 . 2 1 1 A 96 96 ARG H H 96 7.910 7.922 -0.012 1
1 956 . 2 1 1 A 96 96 ARG HA H 96 4.227 4.215 0.012 1
1 963 . 2 1 1 A 96 96 ARG CA C 96 57.514 57.980 -0.466 1
1 964 . 2 1 1 A 96 96 ARG CB C 96 31.353 31.051 0.302 1
1 967 . 2 1 1 A 96 96 ARG N N 96 115.669 117.823 -2.154 1
1 968 . 2 1 1 A 97 97 GLY H H 97 6.917 7.923 -1.006 1
1 969 . 2 1 1 A 97 97 GLY HA2 H 97 3.272 4.022 -0.750 1
1 970 . 2 1 1 A 97 97 GLY HA3 H 97 3.908 4.061 -0.153 1
1 971 . 2 1 1 A 97 97 GLY CA C 97 44.693 45.037 -0.344 1
1 972 . 2 1 1 A 97 97 GLY N N 97 103.795 107.512 -3.717 1
1 973 . 2 1 1 A 98 98 ALA H H 98 8.187 8.653 -0.466 1
1 974 . 2 1 1 A 98 98 ALA HA H 98 4.287 4.569 -0.282 1
1 978 . 2 1 1 A 98 98 ALA CA C 98 52.717 52.564 0.153 1
1 979 . 2 1 1 A 98 98 ALA CB C 98 20.563 21.590 -1.027 1
1 980 . 2 1 1 A 98 98 ALA N N 98 118.770 121.601 -2.831 1
1 981 . 2 1 1 A 99 99 GLY H H 99 8.904 7.812 1.092 1
1 982 . 2 1 1 A 99 99 GLY HA2 H 99 3.670 4.084 -0.414 1
1 983 . 2 1 1 A 99 99 GLY HA3 H 99 3.854 4.088 -0.234 1
1 984 . 2 1 1 A 99 99 GLY CA C 99 46.848 45.650 1.198 1
1 985 . 2 1 1 A 99 99 GLY N N 99 109.717 104.057 5.660 1
1 986 . 2 1 1 A 100 100 GLY H H 100 8.759 8.928 -0.169 1
1 987 . 2 1 1 A 100 100 GLY HA2 H 100 3.719 3.713 0.006 1
1 988 . 2 1 1 A 100 100 GLY HA3 H 100 4.041 3.715 0.326 1
1 989 . 2 1 1 A 100 100 GLY CA C 100 45.655 47.106 -1.451 1
1 990 . 2 1 1 A 100 100 GLY N N 100 110.895 109.952 0.943 1
1 991 . 2 1 1 A 101 101 VAL H H 101 7.631 7.743 -0.112 1
1 992 . 2 1 1 A 101 101 VAL HA H 101 4.226 4.086 0.140 1
1 1000 . 2 1 1 A 101 101 VAL CA C 101 62.518 63.926 -1.408 1
1 1001 . 2 1 1 A 101 101 VAL CB C 101 34.660 31.898 2.762 1
1 1004 . 2 1 1 A 101 101 VAL N N 101 115.165 119.077 -3.912 1
1 1005 . 2 1 1 A 102 102 ILE H H 102 7.686 7.667 0.019 1
1 1006 . 2 1 1 A 102 102 ILE HA H 102 4.351 4.401 -0.050 1
1 1016 . 2 1 1 A 102 102 ILE CA C 102 57.498 58.082 -0.584 1
1 1017 . 2 1 1 A 102 102 ILE CB C 102 38.189 38.549 -0.360 1
1 1021 . 2 1 1 A 102 102 ILE N N 102 120.043 124.829 -4.786 1
1 1022 . 2 1 1 A 103 103 PRO HA H 103 4.727 4.711 0.016 1
1 1029 . 2 1 1 A 103 103 PRO CA C 103 61.614 61.715 -0.101 1
1 1030 . 2 1 1 A 103 103 PRO CB C 103 31.055 32.512 -1.457 1
1 1033 . 2 1 1 A 104 104 PRO HA H 104 3.778 4.455 -0.677 1
1 1040 . 2 1 1 A 104 104 PRO CA C 104 63.599 64.777 -1.178 1
1 1041 . 2 1 1 A 104 104 PRO CB C 104 33.183 31.668 1.515 1
1 1044 . 2 1 1 A 105 105 ASN H H 105 8.581 8.226 0.355 1
1 1045 . 2 1 1 A 105 105 ASN HA H 105 3.928 5.014 -1.086 1
1 1050 . 2 1 1 A 105 105 ASN CA C 105 54.447 52.388 2.059 1
1 1051 . 2 1 1 A 105 105 ASN CB C 105 37.280 38.864 -1.584 1
1 1052 . 2 1 1 A 105 105 ASN N N 105 117.269 115.343 1.926 1
1 1054 . 2 1 1 A 106 106 ALA H H 106 7.637 7.196 0.441 1
1 1055 . 2 1 1 A 106 106 ALA HA H 106 4.456 4.351 0.105 1
1 1059 . 2 1 1 A 106 106 ALA CA C 106 52.493 52.287 0.206 1
1 1060 . 2 1 1 A 106 106 ALA CB C 106 20.938 19.862 1.076 1
1 1061 . 2 1 1 A 106 106 ALA N N 106 121.257 122.273 -1.016 1
1 1062 . 2 1 1 A 107 107 THR H H 107 8.492 8.497 -0.005 1
1 1063 . 2 1 1 A 107 107 THR HA H 107 4.781 5.046 -0.265 1
1 1068 . 2 1 1 A 107 107 THR CA C 107 63.319 61.560 1.759 1
1 1069 . 2 1 1 A 107 107 THR CB C 107 69.430 71.412 -1.982 1
1 1071 . 2 1 1 A 107 107 THR N N 107 121.742 116.716 5.026 1
1 1072 . 2 1 1 A 108 108 LEU H H 108 8.900 8.837 0.063 1
1 1073 . 2 1 1 A 108 108 LEU HA H 108 5.132 5.157 -0.025 1
1 1083 . 2 1 1 A 108 108 LEU CA C 108 52.950 53.513 -0.563 1
1 1084 . 2 1 1 A 108 108 LEU CB C 108 46.730 43.413 3.317 1
1 1088 . 2 1 1 A 108 108 LEU N N 108 125.279 125.823 -0.544 1
1 1089 . 2 1 1 A 109 109 VAL H H 109 8.933 8.820 0.113 1
1 1090 . 2 1 1 A 109 109 VAL HA H 109 5.532 4.832 0.700 1
1 1098 . 2 1 1 A 109 109 VAL CA C 109 60.793 61.488 -0.695 1
1 1099 . 2 1 1 A 109 109 VAL CB C 109 34.138 33.261 0.877 1
1 1102 . 2 1 1 A 109 109 VAL N N 109 122.496 125.395 -2.899 1
1 1103 . 2 1 1 A 110 110 PHE H H 110 9.737 9.022 0.715 1
1 1104 . 2 1 1 A 110 110 PHE HA H 110 6.457 5.175 1.282 1
1 1112 . 2 1 1 A 110 110 PHE CA C 110 55.265 56.091 -0.826 1
1 1113 . 2 1 1 A 110 110 PHE CB C 110 44.818 43.114 1.704 1
1 1114 . 2 1 1 A 110 110 PHE N N 110 121.114 123.687 -2.573 1
1 1115 . 2 1 1 A 111 111 GLU H H 111 9.223 8.425 0.798 1
1 1116 . 2 1 1 A 111 111 GLU HA H 111 5.202 4.385 0.817 1
1 1121 . 2 1 1 A 111 111 GLU CA C 111 56.709 55.486 1.223 1
1 1122 . 2 1 1 A 111 111 GLU CB C 111 32.338 30.418 1.920 1
1 1124 . 2 1 1 A 111 111 GLU N N 111 122.210 123.347 -1.137 1
1 1125 . 2 1 1 A 112 112 VAL H H 112 9.269 8.604 0.665 1
1 1126 . 2 1 1 A 112 112 VAL HA H 112 4.796 4.580 0.216 1
1 1134 . 2 1 1 A 112 112 VAL CA C 112 61.127 61.723 -0.596 1
1 1135 . 2 1 1 A 112 112 VAL CB C 112 34.634 32.760 1.874 1
1 1136 . 2 1 1 A 112 112 VAL N N 112 126.195 127.683 -1.488 1
1 1137 . 2 1 1 A 113 113 GLU H H 113 9.545 9.041 0.504 1
1 1138 . 2 1 1 A 113 113 GLU HA H 113 5.483 5.313 0.170 1
1 1143 . 2 1 1 A 113 113 GLU CA C 113 53.159 55.036 -1.877 1
1 1144 . 2 1 1 A 113 113 GLU CB C 113 32.657 32.950 -0.293 1
1 1146 . 2 1 1 A 113 113 GLU N N 113 128.111 128.698 -0.587 1
1 1147 . 2 1 1 A 114 114 LEU H H 114 8.261 8.689 -0.428 1
1 1148 . 2 1 1 A 114 114 LEU HA H 114 4.634 4.517 0.117 1
1 1158 . 2 1 1 A 114 114 LEU CA C 114 55.217 55.566 -0.349 1
1 1159 . 2 1 1 A 114 114 LEU CB C 114 41.826 42.647 -0.821 1
1 1163 . 2 1 1 A 114 114 LEU N N 114 126.273 128.404 -2.131 1
1 1164 . 2 1 1 A 115 115 LEU H H 115 9.258 9.045 0.213 1
1 1165 . 2 1 1 A 115 115 LEU HA H 115 4.453 4.385 0.068 1
1 1175 . 2 1 1 A 115 115 LEU CA C 115 55.791 56.360 -0.569 1
1 1176 . 2 1 1 A 115 115 LEU CB C 115 42.897 42.503 0.394 1
1 1180 . 2 1 1 A 115 115 LEU N N 115 130.031 128.628 1.403 1
1 1181 . 2 1 1 A 116 116 ASP H H 116 7.748 7.282 0.466 1
1 1182 . 2 1 1 A 116 116 ASP HA H 116 4.672 4.916 -0.244 1
1 1185 . 2 1 1 A 116 116 ASP CA C 116 54.385 53.908 0.477 1
1 1186 . 2 1 1 A 116 116 ASP CB C 116 43.828 44.960 -1.132 1
1 1187 . 2 1 1 A 116 116 ASP N N 116 115.338 113.789 1.549 1
1 1 . 3 1 1 A 3 3 GLY H H 3 8.684 7.319 1.365 1
1 2 . 3 1 1 A 3 3 GLY HA2 H 3 3.959 4.006 -0.047 1
1 3 . 3 1 1 A 3 3 GLY HA3 H 3 3.959 4.008 -0.049 1
1 4 . 3 1 1 A 3 3 GLY N N 3 110.167 107.357 2.810 1
1 5 . 3 1 1 A 4 4 SER H H 4 8.315 8.671 -0.356 1
1 6 . 3 1 1 A 4 4 SER HA H 4 4.468 5.207 -0.739 1
1 9 . 3 1 1 A 4 4 SER CA C 4 58.355 56.101 2.254 1
1 10 . 3 1 1 A 4 4 SER N N 4 115.851 118.131 -2.280 1
1 11 . 3 1 1 A 5 5 MET H H 5 8.640 8.670 -0.030 1
1 12 . 3 1 1 A 5 5 MET HA H 5 4.554 4.791 -0.237 1
1 17 . 3 1 1 A 5 5 MET CA C 5 55.754 54.707 1.047 1
1 18 . 3 1 1 A 5 5 MET CB C 5 32.870 32.952 -0.082 1
1 20 . 3 1 1 A 5 5 MET N N 5 122.413 124.481 -2.068 1
1 21 . 3 1 1 A 6 6 THR H H 6 8.265 7.685 0.580 1
1 22 . 3 1 1 A 6 6 THR HA H 6 4.296 4.431 -0.135 1
1 27 . 3 1 1 A 6 6 THR CA C 6 62.224 61.167 1.057 1
1 28 . 3 1 1 A 6 6 THR CB C 6 69.806 68.127 1.679 1
1 30 . 3 1 1 A 6 6 THR N N 6 116.270 111.739 4.531 1
1 31 . 3 1 1 A 7 7 VAL H H 7 8.068 8.177 -0.109 1
1 32 . 3 1 1 A 7 7 VAL HA H 7 4.200 4.445 -0.245 1
1 40 . 3 1 1 A 7 7 VAL CA C 7 62.021 61.268 0.753 1
1 41 . 3 1 1 A 7 7 VAL CB C 7 32.773 33.793 -1.020 1
1 44 . 3 1 1 A 7 7 VAL N N 7 124.632 126.090 -1.458 1
1 45 . 3 1 1 A 8 8 VAL H H 8 8.985 8.244 0.741 1
1 46 . 3 1 1 A 8 8 VAL HA H 8 3.872 4.535 -0.663 1
1 54 . 3 1 1 A 8 8 VAL CA C 8 61.848 61.653 0.195 1
1 55 . 3 1 1 A 8 8 VAL CB C 8 33.157 32.545 0.612 1
1 58 . 3 1 1 A 8 8 VAL N N 8 132.503 127.576 4.927 1
1 59 . 3 1 1 A 9 9 THR H H 9 8.213 8.896 -0.683 1
1 60 . 3 1 1 A 9 9 THR HA H 9 5.250 5.223 0.027 1
1 65 . 3 1 1 A 9 9 THR CA C 9 61.040 60.587 0.453 1
1 66 . 3 1 1 A 9 9 THR CB C 9 69.773 72.325 -2.552 1
1 68 . 3 1 1 A 9 9 THR N N 9 121.386 122.564 -1.178 1
1 69 . 3 1 1 A 10 10 THR H H 10 9.318 8.445 0.873 1
1 70 . 3 1 1 A 10 10 THR HA H 10 4.693 4.959 -0.266 1
1 75 . 3 1 1 A 10 10 THR CA C 10 60.077 59.278 0.799 1
1 76 . 3 1 1 A 10 10 THR CB C 10 70.131 72.044 -1.913 1
1 78 . 3 1 1 A 10 10 THR N N 10 119.882 114.368 5.514 1
1 79 . 3 1 1 A 11 11 GLU H H 11 9.051 9.147 -0.096 1
1 80 . 3 1 1 A 11 11 GLU HA H 11 4.028 4.012 0.016 1
1 85 . 3 1 1 A 11 11 GLU CA C 11 59.072 59.504 -0.432 1
1 86 . 3 1 1 A 11 11 GLU CB C 11 29.516 29.166 0.350 1
1 88 . 3 1 1 A 11 11 GLU N N 11 120.586 122.746 -2.160 1
1 89 . 3 1 1 A 12 12 SER H H 12 8.445 7.786 0.659 1
1 90 . 3 1 1 A 12 12 SER HA H 12 4.302 4.438 -0.136 1
1 93 . 3 1 1 A 12 12 SER CA C 12 58.483 59.448 -0.965 1
1 94 . 3 1 1 A 12 12 SER CB C 12 63.034 63.360 -0.326 1
1 95 . 3 1 1 A 12 12 SER N N 12 114.574 112.310 2.264 1
1 96 . 3 1 1 A 13 13 GLY H H 13 7.798 7.995 -0.197 1
1 97 . 3 1 1 A 13 13 GLY HA2 H 13 3.425 4.052 -0.627 1
1 98 . 3 1 1 A 13 13 GLY HA3 H 13 4.401 4.054 0.347 1
1 99 . 3 1 1 A 13 13 GLY CA C 13 44.276 45.153 -0.877 1
1 100 . 3 1 1 A 13 13 GLY N N 13 109.024 108.196 0.828 1
1 101 . 3 1 1 A 14 14 LEU H H 14 7.501 7.848 -0.347 1
1 102 . 3 1 1 A 14 14 LEU HA H 14 3.967 4.469 -0.502 1
1 112 . 3 1 1 A 14 14 LEU CA C 14 56.343 55.764 0.579 1
1 113 . 3 1 1 A 14 14 LEU CB C 14 41.856 42.723 -0.867 1
1 117 . 3 1 1 A 14 14 LEU N N 14 123.870 123.179 0.691 1
1 118 . 3 1 1 A 15 15 LYS H H 15 7.812 8.513 -0.701 1
1 119 . 3 1 1 A 15 15 LYS HA H 15 5.942 5.316 0.626 1
1 127 . 3 1 1 A 15 15 LYS CA C 15 54.052 54.310 -0.258 1
1 128 . 3 1 1 A 15 15 LYS CB C 15 36.289 36.151 0.138 1
1 132 . 3 1 1 A 15 15 LYS N N 15 123.667 124.688 -1.021 1
1 133 . 3 1 1 A 16 16 TYR H H 16 9.289 9.172 0.117 1
1 134 . 3 1 1 A 16 16 TYR HA H 16 5.996 5.548 0.448 1
1 141 . 3 1 1 A 16 16 TYR CA C 16 55.784 56.290 -0.506 1
1 142 . 3 1 1 A 16 16 TYR CB C 16 43.297 42.041 1.256 1
1 143 . 3 1 1 A 16 16 TYR N N 16 117.890 117.842 0.048 1
1 144 . 3 1 1 A 17 17 GLU H H 17 8.728 9.180 -0.452 1
1 145 . 3 1 1 A 17 17 GLU HA H 17 4.860 4.710 0.150 1
1 150 . 3 1 1 A 17 17 GLU CA C 17 54.072 54.759 -0.687 1
1 151 . 3 1 1 A 17 17 GLU CB C 17 35.222 33.275 1.947 1
1 152 . 3 1 1 A 17 17 GLU N N 17 118.386 121.743 -3.357 1
1 153 . 3 1 1 A 18 18 ASP H H 18 9.596 8.599 0.997 1
1 154 . 3 1 1 A 18 18 ASP HA H 18 5.296 4.592 0.704 1
1 157 . 3 1 1 A 18 18 ASP CA C 18 55.695 54.664 1.031 1
1 158 . 3 1 1 A 18 18 ASP CB C 18 40.940 41.878 -0.938 1
1 159 . 3 1 1 A 18 18 ASP N N 18 127.059 127.213 -0.154 1
1 160 . 3 1 1 A 19 19 LEU H H 19 8.609 9.073 -0.464 1
1 161 . 3 1 1 A 19 19 LEU HA H 19 4.275 4.561 -0.286 1
1 171 . 3 1 1 A 19 19 LEU CA C 19 56.923 55.942 0.981 1
1 172 . 3 1 1 A 19 19 LEU CB C 19 41.074 44.432 -3.358 1
1 176 . 3 1 1 A 19 19 LEU N N 19 128.620 126.158 2.462 1
1 177 . 3 1 1 A 20 20 THR H H 20 8.136 8.262 -0.126 1
1 178 . 3 1 1 A 20 20 THR HA H 20 4.400 4.818 -0.418 1
1 183 . 3 1 1 A 20 20 THR CA C 20 61.835 61.347 0.488 1
1 184 . 3 1 1 A 20 20 THR CB C 20 72.411 71.459 0.952 1
1 186 . 3 1 1 A 20 20 THR N N 20 112.473 111.862 0.611 1
1 187 . 3 1 1 A 21 21 GLU H H 21 9.354 8.628 0.726 1
1 188 . 3 1 1 A 21 21 GLU HA H 21 4.370 4.266 0.104 1
1 193 . 3 1 1 A 21 21 GLU CA C 21 56.277 56.302 -0.025 1
1 194 . 3 1 1 A 21 21 GLU CB C 21 30.368 29.997 0.371 1
1 196 . 3 1 1 A 21 21 GLU N N 21 130.043 127.033 3.010 1
1 197 . 3 1 1 A 22 22 GLY H H 22 9.071 8.498 0.573 1
1 198 . 3 1 1 A 22 22 GLY HA2 H 22 3.446 4.222 -0.776 1
1 199 . 3 1 1 A 22 22 GLY HA3 H 22 3.742 4.225 -0.483 1
1 200 . 3 1 1 A 22 22 GLY CA C 22 45.343 45.711 -0.368 1
1 201 . 3 1 1 A 22 22 GLY N N 22 113.930 108.643 5.287 1
1 202 . 3 1 1 A 23 23 SER H H 23 8.040 8.734 -0.694 1
1 203 . 3 1 1 A 23 23 SER HA H 23 4.671 4.648 0.023 1
1 206 . 3 1 1 A 23 23 SER CA C 23 57.488 57.989 -0.501 1
1 207 . 3 1 1 A 23 23 SER CB C 23 65.069 61.364 3.705 1
1 208 . 3 1 1 A 23 23 SER N N 23 111.747 119.578 -7.831 1
1 209 . 3 1 1 A 24 24 GLY H H 24 8.418 8.364 0.054 1
1 210 . 3 1 1 A 24 24 GLY HA2 H 24 3.693 4.044 -0.351 1
1 211 . 3 1 1 A 24 24 GLY HA3 H 24 4.328 4.045 0.283 1
1 212 . 3 1 1 A 24 24 GLY CA C 24 44.138 45.489 -1.351 1
1 213 . 3 1 1 A 24 24 GLY N N 24 111.391 112.916 -1.525 1
1 214 . 3 1 1 A 25 25 ALA H H 25 8.342 8.245 0.097 1
1 215 . 3 1 1 A 25 25 ALA HA H 25 4.061 5.109 -1.048 1
1 219 . 3 1 1 A 25 25 ALA CA C 25 52.551 51.105 1.446 1
1 220 . 3 1 1 A 25 25 ALA CB C 25 19.752 22.784 -3.032 1
1 221 . 3 1 1 A 25 25 ALA N N 25 123.675 124.330 -0.655 1
1 222 . 3 1 1 A 26 26 GLU H H 26 8.194 8.548 -0.354 1
1 223 . 3 1 1 A 26 26 GLU HA H 26 4.498 4.579 -0.081 1
1 228 . 3 1 1 A 26 26 GLU CA C 26 55.174 56.633 -1.459 1
1 229 . 3 1 1 A 26 26 GLU CB C 26 31.906 30.320 1.586 1
1 231 . 3 1 1 A 26 26 GLU N N 26 119.186 122.625 -3.439 1
1 232 . 3 1 1 A 27 27 ALA H H 27 8.930 8.184 0.746 1
1 233 . 3 1 1 A 27 27 ALA HA H 27 4.527 4.508 0.019 1
1 237 . 3 1 1 A 27 27 ALA CA C 27 51.815 52.928 -1.113 1
1 238 . 3 1 1 A 27 27 ALA CB C 27 19.057 19.301 -0.244 1
1 239 . 3 1 1 A 27 27 ALA N N 27 127.513 127.153 0.360 1
1 240 . 3 1 1 A 28 28 ARG H H 28 8.348 9.006 -0.658 1
1 241 . 3 1 1 A 28 28 ARG HA H 28 4.563 4.796 -0.233 1
1 246 . 3 1 1 A 28 28 ARG CA C 28 53.584 53.914 -0.330 1
1 247 . 3 1 1 A 28 28 ARG CB C 28 33.571 33.615 -0.044 1
1 250 . 3 1 1 A 28 28 ARG N N 28 124.054 119.727 4.327 1
1 251 . 3 1 1 A 29 29 ALA H H 29 8.387 8.594 -0.207 1
1 252 . 3 1 1 A 29 29 ALA HA H 29 3.594 3.933 -0.339 1
1 256 . 3 1 1 A 29 29 ALA CA C 29 53.535 53.935 -0.400 1
1 257 . 3 1 1 A 29 29 ALA CB C 29 17.781 18.286 -0.505 1
1 258 . 3 1 1 A 29 29 ALA N N 29 122.289 126.707 -4.418 1
1 259 . 3 1 1 A 30 30 GLY H H 30 9.043 8.976 0.067 1
1 260 . 3 1 1 A 30 30 GLY HA2 H 30 3.451 3.989 -0.538 1
1 261 . 3 1 1 A 30 30 GLY HA3 H 30 4.378 3.990 0.388 1
1 262 . 3 1 1 A 30 30 GLY CA C 30 44.562 45.117 -0.555 1
1 263 . 3 1 1 A 30 30 GLY N N 30 110.956 111.136 -0.180 1
1 264 . 3 1 1 A 31 31 GLN H H 31 7.620 7.678 -0.058 1
1 265 . 3 1 1 A 31 31 GLN HA H 31 4.343 4.500 -0.157 1
1 272 . 3 1 1 A 31 31 GLN CA C 31 55.410 55.205 0.205 1
1 273 . 3 1 1 A 31 31 GLN CB C 31 30.151 29.990 0.161 1
1 275 . 3 1 1 A 31 31 GLN N N 31 119.756 119.413 0.343 1
1 277 . 3 1 1 A 32 32 THR H H 32 8.793 8.492 0.301 1
1 278 . 3 1 1 A 32 32 THR HA H 32 4.463 4.727 -0.264 1
1 283 . 3 1 1 A 32 32 THR CA C 32 63.072 62.664 0.408 1
1 284 . 3 1 1 A 32 32 THR CB C 32 68.380 69.766 -1.386 1
1 286 . 3 1 1 A 32 32 THR N N 32 119.718 119.163 0.555 1
1 287 . 3 1 1 A 33 33 VAL H H 33 8.393 8.665 -0.272 1
1 288 . 3 1 1 A 33 33 VAL HA H 33 4.712 4.940 -0.228 1
1 296 . 3 1 1 A 33 33 VAL CA C 33 58.274 59.013 -0.739 1
1 297 . 3 1 1 A 33 33 VAL CB C 33 33.309 36.075 -2.766 1
1 300 . 3 1 1 A 33 33 VAL N N 33 120.513 120.127 0.386 1
1 301 . 3 1 1 A 34 34 SER H H 34 7.865 8.934 -1.069 1
1 302 . 3 1 1 A 34 34 SER HA H 34 5.262 5.383 -0.121 1
1 305 . 3 1 1 A 34 34 SER CA C 34 56.443 56.734 -0.291 1
1 306 . 3 1 1 A 34 34 SER CB C 34 64.882 64.640 0.242 1
1 307 . 3 1 1 A 34 34 SER N N 34 113.652 117.315 -3.663 1
1 308 . 3 1 1 A 35 35 VAL H H 35 9.531 9.184 0.347 1
1 309 . 3 1 1 A 35 35 VAL HA H 35 5.715 5.516 0.199 1
1 317 . 3 1 1 A 35 35 VAL CA C 35 58.226 58.885 -0.659 1
1 318 . 3 1 1 A 35 35 VAL CB C 35 35.412 35.897 -0.485 1
1 321 . 3 1 1 A 35 35 VAL N N 35 117.985 121.338 -3.353 1
1 322 . 3 1 1 A 36 36 HIS H H 36 8.812 9.132 -0.320 1
1 323 . 3 1 1 A 36 36 HIS HA H 36 5.784 5.582 0.202 1
1 328 . 3 1 1 A 36 36 HIS CA C 36 54.671 53.738 0.933 1
1 329 . 3 1 1 A 36 36 HIS CB C 36 35.786 32.482 3.304 1
1 330 . 3 1 1 A 36 36 HIS N N 36 118.227 119.334 -1.107 1
1 331 . 3 1 1 A 37 37 TYR H H 37 9.680 8.664 1.016 1
1 332 . 3 1 1 A 37 37 TYR HA H 37 6.201 5.825 0.376 1
1 339 . 3 1 1 A 37 37 TYR CA C 37 56.280 55.409 0.871 1
1 340 . 3 1 1 A 37 37 TYR CB C 37 43.791 41.206 2.585 1
1 341 . 3 1 1 A 37 37 TYR N N 37 116.878 119.850 -2.972 1
1 342 . 3 1 1 A 38 38 THR H H 38 8.478 8.744 -0.266 1
1 343 . 3 1 1 A 38 38 THR HA H 38 4.374 4.647 -0.273 1
1 348 . 3 1 1 A 38 38 THR CA C 38 62.692 60.073 2.619 1
1 349 . 3 1 1 A 38 38 THR CB C 38 71.675 70.541 1.134 1
1 351 . 3 1 1 A 38 38 THR N N 38 117.172 117.909 -0.737 1
1 352 . 3 1 1 A 39 39 GLY H H 39 8.332 8.553 -0.221 1
1 353 . 3 1 1 A 39 39 GLY HA2 H 39 1.943 2.831 -0.888 1
1 354 . 3 1 1 A 39 39 GLY HA3 H 39 4.624 3.215 1.409 1
1 355 . 3 1 1 A 39 39 GLY CA C 39 44.767 45.030 -0.263 1
1 356 . 3 1 1 A 39 39 GLY N N 39 113.042 112.255 0.787 1
1 357 . 3 1 1 A 40 40 TRP H H 40 9.669 8.871 0.798 1
1 358 . 3 1 1 A 40 40 TRP HA H 40 5.499 5.384 0.115 1
1 366 . 3 1 1 A 40 40 TRP CA C 40 57.026 55.822 1.204 1
1 367 . 3 1 1 A 40 40 TRP CB C 40 34.177 33.495 0.682 1
1 368 . 3 1 1 A 40 40 TRP N N 40 123.550 125.755 -2.205 1
1 370 . 3 1 1 A 41 41 LEU H H 41 8.699 9.119 -0.420 1
1 371 . 3 1 1 A 41 41 LEU HA H 41 5.056 4.861 0.195 1
1 381 . 3 1 1 A 41 41 LEU CA C 41 54.040 53.456 0.584 1
1 382 . 3 1 1 A 41 41 LEU CB C 41 41.981 43.246 -1.265 1
1 386 . 3 1 1 A 41 41 LEU N N 41 119.318 122.417 -3.099 1
1 387 . 3 1 1 A 42 42 THR H H 42 9.418 8.763 0.655 1
1 388 . 3 1 1 A 42 42 THR HA H 42 3.962 4.228 -0.266 1
1 393 . 3 1 1 A 42 42 THR CA C 42 65.117 63.999 1.118 1
1 394 . 3 1 1 A 42 42 THR CB C 42 68.693 68.808 -0.115 1
1 396 . 3 1 1 A 42 42 THR N N 42 112.465 115.529 -3.064 1
1 397 . 3 1 1 A 43 43 ASP H H 43 7.690 7.756 -0.066 1
1 398 . 3 1 1 A 43 43 ASP HA H 43 4.538 4.664 -0.126 1
1 401 . 3 1 1 A 43 43 ASP CA C 43 53.655 54.010 -0.355 1
1 402 . 3 1 1 A 43 43 ASP CB C 43 40.109 41.770 -1.661 1
1 403 . 3 1 1 A 43 43 ASP N N 43 118.952 120.583 -1.631 1
1 404 . 3 1 1 A 44 44 GLY H H 44 8.043 7.997 0.046 1
1 405 . 3 1 1 A 44 44 GLY HA2 H 44 3.521 3.948 -0.427 1
1 406 . 3 1 1 A 44 44 GLY HA3 H 44 4.318 3.955 0.363 1
1 407 . 3 1 1 A 44 44 GLY CA C 44 44.869 44.917 -0.048 1
1 408 . 3 1 1 A 44 44 GLY N N 44 107.790 106.015 1.775 1
1 409 . 3 1 1 A 45 45 GLN H H 45 8.355 7.824 0.531 1
1 410 . 3 1 1 A 45 45 GLN HA H 45 4.319 4.630 -0.311 1
1 417 . 3 1 1 A 45 45 GLN CA C 45 56.909 55.040 1.869 1
1 418 . 3 1 1 A 45 45 GLN CB C 45 29.837 30.375 -0.538 1
1 420 . 3 1 1 A 45 45 GLN N N 45 121.541 119.059 2.482 1
1 422 . 3 1 1 A 46 46 LYS H H 46 8.915 8.670 0.245 1
1 423 . 3 1 1 A 46 46 LYS HA H 46 4.454 5.118 -0.664 1
1 432 . 3 1 1 A 46 46 LYS CA C 46 55.782 55.307 0.475 1
1 433 . 3 1 1 A 46 46 LYS CB C 46 33.097 34.267 -1.170 1
1 437 . 3 1 1 A 46 46 LYS N N 46 129.310 124.490 4.820 1
1 438 . 3 1 1 A 47 47 PHE H H 47 8.440 8.906 -0.466 1
1 439 . 3 1 1 A 47 47 PHE HA H 47 5.103 5.010 0.093 1
1 447 . 3 1 1 A 47 47 PHE CA C 47 56.272 56.584 -0.312 1
1 448 . 3 1 1 A 47 47 PHE CB C 47 41.094 40.794 0.300 1
1 449 . 3 1 1 A 47 47 PHE N N 47 122.874 121.940 0.934 1
1 450 . 3 1 1 A 48 48 ASP H H 48 6.744 7.565 -0.821 1
1 451 . 3 1 1 A 48 48 ASP HA H 48 4.790 4.840 -0.050 1
1 454 . 3 1 1 A 48 48 ASP CA C 48 54.518 54.318 0.200 1
1 455 . 3 1 1 A 48 48 ASP CB C 48 43.929 44.301 -0.372 1
1 456 . 3 1 1 A 48 48 ASP N N 48 118.152 119.801 -1.649 1
1 457 . 3 1 1 A 49 49 SER H H 49 8.122 8.611 -0.489 1
1 458 . 3 1 1 A 49 49 SER HA H 49 4.608 4.988 -0.380 1
1 461 . 3 1 1 A 49 49 SER CA C 49 56.963 56.402 0.561 1
1 462 . 3 1 1 A 49 49 SER CB C 49 64.699 66.270 -1.571 1
1 463 . 3 1 1 A 49 49 SER N N 49 117.585 119.243 -1.658 1
1 464 . 3 1 1 A 50 50 SER H H 50 8.020 8.986 -0.966 1
1 465 . 3 1 1 A 50 50 SER HA H 50 4.045 3.913 0.132 1
1 468 . 3 1 1 A 50 50 SER CA C 50 61.482 60.956 0.526 1
1 469 . 3 1 1 A 50 50 SER CB C 50 61.488 62.704 -1.216 1
1 470 . 3 1 1 A 50 50 SER N N 50 124.801 120.407 4.394 1
1 471 . 3 1 1 A 51 51 LYS H H 51 7.730 7.594 0.136 1
1 472 . 3 1 1 A 51 51 LYS HA H 51 3.505 4.100 -0.595 1
1 481 . 3 1 1 A 51 51 LYS CA C 51 58.921 58.681 0.240 1
1 482 . 3 1 1 A 51 51 LYS CB C 51 31.346 32.131 -0.785 1
1 486 . 3 1 1 A 51 51 LYS N N 51 124.103 121.163 2.940 1
1 487 . 3 1 1 A 52 52 ASP H H 52 7.324 8.007 -0.683 1
1 488 . 3 1 1 A 52 52 ASP HA H 52 4.284 4.342 -0.058 1
1 491 . 3 1 1 A 52 52 ASP CA C 52 56.524 57.299 -0.775 1
1 492 . 3 1 1 A 52 52 ASP CB C 52 40.201 40.327 -0.126 1
1 493 . 3 1 1 A 52 52 ASP N N 52 118.971 119.370 -0.399 1
1 494 . 3 1 1 A 53 53 ARG H H 53 6.923 7.433 -0.510 1
1 495 . 3 1 1 A 53 53 ARG HA H 53 4.461 4.420 0.041 1
1 502 . 3 1 1 A 53 53 ARG CA C 53 55.597 56.320 -0.723 1
1 503 . 3 1 1 A 53 53 ARG CB C 53 31.289 31.136 0.153 1
1 506 . 3 1 1 A 53 53 ARG N N 53 114.803 119.176 -4.373 1
1 507 . 3 1 1 A 54 54 ASN H H 54 7.827 8.258 -0.431 1
1 508 . 3 1 1 A 54 54 ASN HA H 54 4.352 4.324 0.028 1
1 513 . 3 1 1 A 54 54 ASN CA C 54 54.339 54.572 -0.233 1
1 514 . 3 1 1 A 54 54 ASN CB C 54 37.849 37.597 0.252 1
1 515 . 3 1 1 A 54 54 ASN N N 54 117.421 117.620 -0.199 1
1 517 . 3 1 1 A 55 55 ASP H H 55 7.580 7.789 -0.209 1
1 518 . 3 1 1 A 55 55 ASP HA H 55 5.360 5.156 0.204 1
1 521 . 3 1 1 A 55 55 ASP CA C 55 51.697 51.028 0.669 1
1 522 . 3 1 1 A 55 55 ASP CB C 55 43.377 43.918 -0.541 1
1 523 . 3 1 1 A 55 55 ASP N N 55 115.802 117.810 -2.008 1
1 524 . 3 1 1 A 56 56 PRO HA H 56 4.022 3.663 0.359 1
1 531 . 3 1 1 A 56 56 PRO CA C 56 63.115 62.086 1.029 1
1 532 . 3 1 1 A 56 56 PRO CB C 56 32.348 33.118 -0.770 1
1 535 . 3 1 1 A 57 57 PHE H H 57 9.207 8.624 0.583 1
1 536 . 3 1 1 A 57 57 PHE HA H 57 4.874 5.125 -0.251 1
1 544 . 3 1 1 A 57 57 PHE CA C 57 57.290 56.129 1.161 1
1 545 . 3 1 1 A 57 57 PHE CB C 57 42.517 41.063 1.454 1
1 546 . 3 1 1 A 57 57 PHE N N 57 124.509 122.108 2.401 1
1 547 . 3 1 1 A 58 58 ALA H H 58 7.942 8.932 -0.990 1
1 548 . 3 1 1 A 58 58 ALA HA H 58 5.928 5.183 0.745 1
1 552 . 3 1 1 A 58 58 ALA CA C 58 49.705 50.501 -0.796 1
1 553 . 3 1 1 A 58 58 ALA CB C 58 21.621 20.811 0.810 1
1 554 . 3 1 1 A 58 58 ALA N N 58 130.661 130.233 0.428 1
1 555 . 3 1 1 A 59 59 PHE H H 59 8.455 8.446 0.009 1
1 556 . 3 1 1 A 59 59 PHE HA H 59 4.660 5.014 -0.354 1
1 564 . 3 1 1 A 59 59 PHE CA C 59 55.610 55.556 0.054 1
1 565 . 3 1 1 A 59 59 PHE CB C 59 40.857 40.593 0.264 1
1 566 . 3 1 1 A 59 59 PHE N N 59 114.967 117.959 -2.992 1
1 567 . 3 1 1 A 60 60 VAL H H 60 8.168 8.892 -0.724 1
1 568 . 3 1 1 A 60 60 VAL HA H 60 4.084 4.118 -0.034 1
1 576 . 3 1 1 A 60 60 VAL CA C 60 61.907 62.400 -0.493 1
1 577 . 3 1 1 A 60 60 VAL CB C 60 31.564 32.074 -0.510 1
1 580 . 3 1 1 A 60 60 VAL N N 60 120.308 120.336 -0.028 1
1 581 . 3 1 1 A 61 61 LEU H H 61 8.900 8.410 0.490 1
1 582 . 3 1 1 A 61 61 LEU HA H 61 4.248 3.929 0.319 1
1 592 . 3 1 1 A 61 61 LEU CA C 61 56.558 56.242 0.316 1
1 593 . 3 1 1 A 61 61 LEU CB C 61 41.736 41.814 -0.078 1
1 597 . 3 1 1 A 61 61 LEU N N 61 134.513 129.444 5.069 1
1 598 . 3 1 1 A 62 62 GLY H H 62 9.652 9.138 0.514 1
1 599 . 3 1 1 A 62 62 GLY HA2 H 62 3.558 3.893 -0.335 1
1 600 . 3 1 1 A 62 62 GLY HA3 H 62 4.154 3.926 0.228 1
1 601 . 3 1 1 A 62 62 GLY CA C 62 45.721 46.810 -1.089 1
1 602 . 3 1 1 A 62 62 GLY N N 62 119.352 114.331 5.021 1
1 603 . 3 1 1 A 63 63 GLY H H 63 8.338 8.082 0.256 1
1 604 . 3 1 1 A 63 63 GLY HA2 H 63 3.557 4.139 -0.582 1
1 605 . 3 1 1 A 63 63 GLY HA3 H 63 4.298 4.141 0.157 1
1 606 . 3 1 1 A 63 63 GLY CA C 63 45.442 45.835 -0.393 1
1 607 . 3 1 1 A 63 63 GLY N N 63 107.002 106.029 0.973 1
1 608 . 3 1 1 A 64 64 GLY H H 64 9.301 8.114 1.187 1
1 609 . 3 1 1 A 64 64 GLY HA2 H 64 4.057 4.217 -0.160 1
1 610 . 3 1 1 A 64 64 GLY HA3 H 64 4.057 4.252 -0.195 1
1 611 . 3 1 1 A 64 64 GLY CA C 64 46.425 45.977 0.448 1
1 612 . 3 1 1 A 64 64 GLY N N 64 112.092 108.306 3.786 1
1 613 . 3 1 1 A 65 65 MET H H 65 9.574 8.515 1.059 1
1 614 . 3 1 1 A 65 65 MET HA H 65 4.546 4.716 -0.170 1
1 619 . 3 1 1 A 65 65 MET CA C 65 55.641 54.108 1.533 1
1 620 . 3 1 1 A 65 65 MET CB C 65 33.268 33.254 0.014 1
1 622 . 3 1 1 A 65 65 MET N N 65 118.659 121.854 -3.195 1
1 623 . 3 1 1 A 66 66 VAL H H 66 6.867 8.039 -1.172 1
1 624 . 3 1 1 A 66 66 VAL HA H 66 4.454 4.608 -0.154 1
1 632 . 3 1 1 A 66 66 VAL CA C 66 57.545 59.043 -1.498 1
1 633 . 3 1 1 A 66 66 VAL CB C 66 35.736 35.078 0.658 1
1 636 . 3 1 1 A 66 66 VAL N N 66 108.649 116.200 -7.551 1
1 637 . 3 1 1 A 67 67 ILE H H 67 7.158 7.629 -0.471 1
1 638 . 3 1 1 A 67 67 ILE HA H 67 3.894 4.127 -0.233 1
1 648 . 3 1 1 A 67 67 ILE CA C 67 62.065 61.500 0.565 1
1 649 . 3 1 1 A 67 67 ILE CB C 67 37.130 38.524 -1.394 1
1 653 . 3 1 1 A 67 67 ILE N N 67 111.614 117.393 -5.779 1
1 654 . 3 1 1 A 68 68 LYS H H 68 9.182 8.937 0.245 1
1 655 . 3 1 1 A 68 68 LYS HA H 68 4.241 3.945 0.296 1
1 664 . 3 1 1 A 68 68 LYS CA C 68 60.042 59.574 0.468 1
1 665 . 3 1 1 A 68 68 LYS CB C 68 33.366 32.223 1.143 1
1 669 . 3 1 1 A 68 68 LYS N N 68 125.685 123.508 2.177 1
1 670 . 3 1 1 A 69 69 GLY H H 69 9.653 8.322 1.331 1
1 671 . 3 1 1 A 69 69 GLY HA2 H 69 3.595 3.792 -0.197 1
1 672 . 3 1 1 A 69 69 GLY HA3 H 69 3.971 3.820 0.151 1
1 673 . 3 1 1 A 69 69 GLY CA C 69 47.597 47.360 0.237 1
1 674 . 3 1 1 A 69 69 GLY N N 69 102.438 107.270 -4.832 1
1 675 . 3 1 1 A 70 70 TRP H H 70 7.745 7.878 -0.133 1
1 676 . 3 1 1 A 70 70 TRP HA H 70 4.152 4.584 -0.432 1
1 684 . 3 1 1 A 70 70 TRP CA C 70 60.737 60.564 0.173 1
1 685 . 3 1 1 A 70 70 TRP CB C 70 29.185 28.085 1.100 1
1 686 . 3 1 1 A 70 70 TRP N N 70 120.118 121.285 -1.167 1
1 687 . 3 1 1 A 71 71 ASP H H 71 7.058 8.376 -1.318 1
1 688 . 3 1 1 A 71 71 ASP HA H 71 4.878 4.416 0.462 1
1 691 . 3 1 1 A 71 71 ASP CA C 71 57.165 57.765 -0.600 1
1 692 . 3 1 1 A 71 71 ASP CB C 71 40.749 41.994 -1.245 1
1 693 . 3 1 1 A 71 71 ASP N N 71 120.287 119.646 0.641 1
1 694 . 3 1 1 A 72 72 GLU H H 72 7.856 8.586 -0.730 1
1 695 . 3 1 1 A 72 72 GLU HA H 72 4.120 4.053 0.067 1
1 700 . 3 1 1 A 72 72 GLU CA C 72 58.236 59.443 -1.207 1
1 701 . 3 1 1 A 72 72 GLU CB C 72 30.409 29.253 1.156 1
1 703 . 3 1 1 A 72 72 GLU N N 72 114.126 118.679 -4.553 1
1 704 . 3 1 1 A 73 73 GLY H H 73 7.732 8.150 -0.418 1
1 705 . 3 1 1 A 73 73 GLY HA2 H 73 3.565 3.504 0.061 1
1 706 . 3 1 1 A 73 73 GLY HA3 H 73 3.565 3.512 0.053 1
1 707 . 3 1 1 A 73 73 GLY CA C 73 47.427 47.225 0.202 1
1 708 . 3 1 1 A 73 73 GLY N N 73 104.848 108.180 -3.332 1
1 709 . 3 1 1 A 74 74 VAL H H 74 8.138 8.770 -0.632 1
1 710 . 3 1 1 A 74 74 VAL HA H 74 3.630 3.746 -0.116 1
1 718 . 3 1 1 A 74 74 VAL CA C 74 63.679 65.759 -2.080 1
1 719 . 3 1 1 A 74 74 VAL CB C 74 31.206 31.721 -0.515 1
1 722 . 3 1 1 A 74 74 VAL N N 74 117.660 122.304 -4.644 1
1 723 . 3 1 1 A 75 75 GLN H H 75 6.431 8.202 -1.771 1
1 724 . 3 1 1 A 75 75 GLN HA H 75 3.598 4.204 -0.606 1
1 731 . 3 1 1 A 75 75 GLN CA C 75 58.343 55.423 2.920 1
1 732 . 3 1 1 A 75 75 GLN CB C 75 28.747 27.745 1.002 1
1 734 . 3 1 1 A 75 75 GLN N N 75 116.376 118.166 -1.790 1
1 736 . 3 1 1 A 76 76 GLY H H 76 8.577 7.983 0.594 1
1 737 . 3 1 1 A 76 76 GLY HA2 H 76 3.647 4.045 -0.398 1
1 738 . 3 1 1 A 76 76 GLY HA3 H 76 4.510 4.045 0.465 1
1 739 . 3 1 1 A 76 76 GLY CA C 76 45.092 45.572 -0.480 1
1 740 . 3 1 1 A 76 76 GLY N N 76 111.539 109.499 2.040 1
1 741 . 3 1 1 A 77 77 MET H H 77 7.609 7.649 -0.040 1
1 742 . 3 1 1 A 77 77 MET HA H 77 3.948 4.579 -0.631 1
1 747 . 3 1 1 A 77 77 MET CA C 77 58.260 55.916 2.344 1
1 748 . 3 1 1 A 77 77 MET CB C 77 34.641 33.810 0.831 1
1 750 . 3 1 1 A 77 77 MET N N 77 119.140 120.185 -1.045 1
1 751 . 3 1 1 A 78 78 LYS H H 78 8.348 8.660 -0.312 1
1 752 . 3 1 1 A 78 78 LYS HA H 78 5.015 5.114 -0.099 1
1 761 . 3 1 1 A 78 78 LYS CA C 78 54.136 54.300 -0.164 1
1 762 . 3 1 1 A 78 78 LYS CB C 78 34.944 35.685 -0.741 1
1 766 . 3 1 1 A 78 78 LYS N N 78 119.308 119.129 0.179 1
1 767 . 3 1 1 A 79 79 VAL H H 79 8.622 8.602 0.020 1
1 768 . 3 1 1 A 79 79 VAL HA H 79 3.160 3.510 -0.350 1
1 776 . 3 1 1 A 79 79 VAL CA C 79 66.585 65.469 1.116 1
1 777 . 3 1 1 A 79 79 VAL CB C 79 31.690 31.306 0.384 1
1 780 . 3 1 1 A 79 79 VAL N N 79 123.215 121.231 1.984 1
1 781 . 3 1 1 A 80 80 GLY H H 80 8.623 8.865 -0.242 1
1 782 . 3 1 1 A 80 80 GLY HA2 H 80 3.901 4.040 -0.139 1
1 783 . 3 1 1 A 80 80 GLY HA3 H 80 4.654 4.044 0.610 1
1 784 . 3 1 1 A 80 80 GLY CA C 80 44.457 45.135 -0.678 1
1 785 . 3 1 1 A 80 80 GLY N N 80 115.910 114.850 1.060 1
1 786 . 3 1 1 A 81 81 GLY H H 81 9.283 8.352 0.931 1
1 787 . 3 1 1 A 81 81 GLY HA2 H 81 3.574 3.933 -0.359 1
1 788 . 3 1 1 A 81 81 GLY HA3 H 81 3.916 3.934 -0.018 1
1 789 . 3 1 1 A 81 81 GLY CA C 81 45.310 45.432 -0.122 1
1 790 . 3 1 1 A 81 81 GLY N N 81 111.030 108.267 2.763 1
1 791 . 3 1 1 A 82 82 VAL H H 82 8.403 8.727 -0.324 1
1 792 . 3 1 1 A 82 82 VAL HA H 82 5.141 5.080 0.061 1
1 800 . 3 1 1 A 82 82 VAL CA C 82 61.633 61.199 0.434 1
1 801 . 3 1 1 A 82 82 VAL CB C 82 34.572 34.524 0.048 1
1 804 . 3 1 1 A 82 82 VAL N N 82 119.626 124.611 -4.985 1
1 805 . 3 1 1 A 83 83 ARG H H 83 9.383 8.791 0.592 1
1 806 . 3 1 1 A 83 83 ARG HA H 83 5.354 5.060 0.294 1
1 813 . 3 1 1 A 83 83 ARG CA C 83 54.577 54.773 -0.196 1
1 814 . 3 1 1 A 83 83 ARG CB C 83 35.933 34.138 1.795 1
1 817 . 3 1 1 A 83 83 ARG N N 83 130.545 124.118 6.427 1
1 818 . 3 1 1 A 84 84 ARG H H 84 9.618 8.637 0.981 1
1 819 . 3 1 1 A 84 84 ARG HA H 84 5.650 4.998 0.652 1
1 826 . 3 1 1 A 84 84 ARG CA C 84 54.383 55.092 -0.709 1
1 827 . 3 1 1 A 84 84 ARG CB C 84 32.969 32.219 0.750 1
1 830 . 3 1 1 A 84 84 ARG N N 84 127.552 123.321 4.231 1
1 831 . 3 1 1 A 85 85 LEU H H 85 10.121 9.097 1.024 1
1 832 . 3 1 1 A 85 85 LEU HA H 85 5.232 5.578 -0.346 1
1 842 . 3 1 1 A 85 85 LEU CA C 85 53.442 52.994 0.448 1
1 843 . 3 1 1 A 85 85 LEU CB C 85 45.431 45.211 0.220 1
1 847 . 3 1 1 A 85 85 LEU N N 85 128.946 122.915 6.031 1
1 848 . 3 1 1 A 86 86 THR H H 86 9.594 9.137 0.457 1
1 849 . 3 1 1 A 86 86 THR HA H 86 5.081 5.097 -0.016 1
1 854 . 3 1 1 A 86 86 THR CA C 86 63.525 62.316 1.209 1
1 855 . 3 1 1 A 86 86 THR CB C 86 68.690 69.599 -0.909 1
1 857 . 3 1 1 A 86 86 THR N N 86 121.842 118.522 3.320 1
1 858 . 3 1 1 A 87 87 ILE H H 87 10.109 9.115 0.994 1
1 859 . 3 1 1 A 87 87 ILE HA H 87 4.539 4.703 -0.164 1
1 869 . 3 1 1 A 87 87 ILE CA C 87 58.954 57.421 1.533 1
1 870 . 3 1 1 A 87 87 ILE CB C 87 40.704 39.087 1.617 1
1 874 . 3 1 1 A 87 87 ILE N N 87 129.512 128.535 0.977 1
1 875 . 3 1 1 A 88 88 PRO HA H 88 4.981 4.696 0.285 1
1 882 . 3 1 1 A 88 88 PRO CA C 88 61.675 61.784 -0.109 1
1 883 . 3 1 1 A 88 88 PRO CB C 88 30.917 32.594 -1.677 1
1 886 . 3 1 1 A 89 89 PRO HA H 89 4.439 4.298 0.141 1
1 893 . 3 1 1 A 89 89 PRO CA C 89 65.384 65.329 0.055 1
1 894 . 3 1 1 A 89 89 PRO CB C 89 30.913 32.087 -1.174 1
1 897 . 3 1 1 A 90 90 GLN H H 90 9.574 8.895 0.679 1
1 898 . 3 1 1 A 90 90 GLN HA H 90 4.296 4.184 0.112 1
1 905 . 3 1 1 A 90 90 GLN CA C 90 58.441 57.499 0.942 1
1 906 . 3 1 1 A 90 90 GLN CB C 90 26.402 27.297 -0.895 1
1 908 . 3 1 1 A 90 90 GLN N N 90 118.710 115.523 3.187 1
1 910 . 3 1 1 A 91 91 LEU H H 91 7.976 7.402 0.574 1
1 911 . 3 1 1 A 91 91 LEU HA H 91 4.636 4.624 0.012 1
1 921 . 3 1 1 A 91 91 LEU CA C 91 53.625 54.321 -0.696 1
1 922 . 3 1 1 A 91 91 LEU CB C 91 42.819 43.329 -0.510 1
1 926 . 3 1 1 A 91 91 LEU N N 91 119.302 118.683 0.619 1
1 927 . 3 1 1 A 92 92 GLY H H 92 7.717 7.976 -0.259 1
1 928 . 3 1 1 A 92 92 GLY HA2 H 92 3.258 4.104 -0.846 1
1 929 . 3 1 1 A 92 92 GLY HA3 H 92 4.121 4.169 -0.048 1
1 930 . 3 1 1 A 92 92 GLY CA C 92 45.183 45.601 -0.418 1
1 931 . 3 1 1 A 92 92 GLY N N 92 110.415 108.032 2.383 1
1 932 . 3 1 1 A 93 93 TYR H H 93 9.662 8.620 1.042 1
1 933 . 3 1 1 A 93 93 TYR HA H 93 4.513 4.270 0.243 1
1 940 . 3 1 1 A 93 93 TYR CA C 93 58.603 61.205 -2.602 1
1 941 . 3 1 1 A 93 93 TYR CB C 93 37.762 39.016 -1.254 1
1 942 . 3 1 1 A 93 93 TYR N N 93 126.998 122.108 4.890 1
1 943 . 3 1 1 A 94 94 GLY H H 94 8.467 7.944 0.523 1
1 944 . 3 1 1 A 94 94 GLY HA2 H 94 3.633 4.101 -0.468 1
1 945 . 3 1 1 A 94 94 GLY HA3 H 94 3.888 4.112 -0.224 1
1 946 . 3 1 1 A 94 94 GLY CA C 94 47.023 43.805 3.218 1
1 947 . 3 1 1 A 94 94 GLY N N 94 108.486 105.803 2.683 1
1 948 . 3 1 1 A 95 95 ALA H H 95 7.636 8.547 -0.911 1
1 949 . 3 1 1 A 95 95 ALA HA H 95 4.151 4.237 -0.086 1
1 953 . 3 1 1 A 95 95 ALA CA C 95 53.326 52.988 0.338 1
1 954 . 3 1 1 A 95 95 ALA CB C 95 18.831 18.879 -0.048 1
1 955 . 3 1 1 A 96 96 ARG H H 96 7.910 7.825 0.085 1
1 956 . 3 1 1 A 96 96 ARG HA H 96 4.227 4.190 0.037 1
1 963 . 3 1 1 A 96 96 ARG CA C 96 57.514 57.764 -0.250 1
1 964 . 3 1 1 A 96 96 ARG CB C 96 31.353 31.083 0.270 1
1 967 . 3 1 1 A 96 96 ARG N N 96 115.669 117.673 -2.004 1
1 968 . 3 1 1 A 97 97 GLY H H 97 6.917 7.900 -0.983 1
1 969 . 3 1 1 A 97 97 GLY HA2 H 97 3.272 4.034 -0.762 1
1 970 . 3 1 1 A 97 97 GLY HA3 H 97 3.908 4.068 -0.160 1
1 971 . 3 1 1 A 97 97 GLY CA C 97 44.693 44.888 -0.195 1
1 972 . 3 1 1 A 97 97 GLY N N 97 103.795 107.248 -3.453 1
1 973 . 3 1 1 A 98 98 ALA H H 98 8.187 8.536 -0.349 1
1 974 . 3 1 1 A 98 98 ALA HA H 98 4.287 4.518 -0.231 1
1 978 . 3 1 1 A 98 98 ALA CA C 98 52.717 53.367 -0.650 1
1 979 . 3 1 1 A 98 98 ALA CB C 98 20.563 20.853 -0.290 1
1 980 . 3 1 1 A 98 98 ALA N N 98 118.770 119.996 -1.226 1
1 981 . 3 1 1 A 99 99 GLY H H 99 8.904 8.087 0.817 1
1 982 . 3 1 1 A 99 99 GLY HA2 H 99 3.670 4.128 -0.458 1
1 983 . 3 1 1 A 99 99 GLY HA3 H 99 3.854 4.133 -0.279 1
1 984 . 3 1 1 A 99 99 GLY CA C 99 46.848 44.538 2.310 1
1 985 . 3 1 1 A 99 99 GLY N N 99 109.717 106.386 3.331 1
1 986 . 3 1 1 A 100 100 GLY H H 100 8.759 8.775 -0.016 1
1 987 . 3 1 1 A 100 100 GLY HA2 H 100 3.719 3.820 -0.101 1
1 988 . 3 1 1 A 100 100 GLY HA3 H 100 4.041 3.822 0.219 1
1 989 . 3 1 1 A 100 100 GLY CA C 100 45.655 47.111 -1.456 1
1 990 . 3 1 1 A 100 100 GLY N N 100 110.895 108.617 2.278 1
1 991 . 3 1 1 A 101 101 VAL H H 101 7.631 7.431 0.200 1
1 992 . 3 1 1 A 101 101 VAL HA H 101 4.226 4.242 -0.016 1
1 1000 . 3 1 1 A 101 101 VAL CA C 101 62.518 60.742 1.776 1
1 1001 . 3 1 1 A 101 101 VAL CB C 101 34.660 31.531 3.129 1
1 1004 . 3 1 1 A 101 101 VAL N N 101 115.165 115.847 -0.682 1
1 1005 . 3 1 1 A 102 102 ILE H H 102 7.686 7.556 0.130 1
1 1006 . 3 1 1 A 102 102 ILE HA H 102 4.351 4.604 -0.253 1
1 1016 . 3 1 1 A 102 102 ILE CA C 102 57.498 58.097 -0.599 1
1 1017 . 3 1 1 A 102 102 ILE CB C 102 38.189 39.702 -1.513 1
1 1021 . 3 1 1 A 102 102 ILE N N 102 120.043 122.695 -2.652 1
1 1022 . 3 1 1 A 103 103 PRO HA H 103 4.727 4.707 0.020 1
1 1029 . 3 1 1 A 103 103 PRO CA C 103 61.614 61.687 -0.073 1
1 1030 . 3 1 1 A 103 103 PRO CB C 103 31.055 32.626 -1.571 1
1 1033 . 3 1 1 A 104 104 PRO HA H 104 3.778 4.438 -0.660 1
1 1040 . 3 1 1 A 104 104 PRO CA C 104 63.599 64.742 -1.143 1
1 1041 . 3 1 1 A 104 104 PRO CB C 104 33.183 31.703 1.480 1
1 1044 . 3 1 1 A 105 105 ASN H H 105 8.581 8.223 0.358 1
1 1045 . 3 1 1 A 105 105 ASN HA H 105 3.928 5.049 -1.121 1
1 1050 . 3 1 1 A 105 105 ASN CA C 105 54.447 52.270 2.177 1
1 1051 . 3 1 1 A 105 105 ASN CB C 105 37.280 38.862 -1.582 1
1 1052 . 3 1 1 A 105 105 ASN N N 105 117.269 115.502 1.767 1
1 1054 . 3 1 1 A 106 106 ALA H H 106 7.637 7.142 0.495 1
1 1055 . 3 1 1 A 106 106 ALA HA H 106 4.456 4.354 0.102 1
1 1059 . 3 1 1 A 106 106 ALA CA C 106 52.493 52.443 0.050 1
1 1060 . 3 1 1 A 106 106 ALA CB C 106 20.938 19.580 1.358 1
1 1061 . 3 1 1 A 106 106 ALA N N 106 121.257 122.302 -1.045 1
1 1062 . 3 1 1 A 107 107 THR H H 107 8.492 8.427 0.065 1
1 1063 . 3 1 1 A 107 107 THR HA H 107 4.781 4.952 -0.171 1
1 1068 . 3 1 1 A 107 107 THR CA C 107 63.319 62.043 1.276 1
1 1069 . 3 1 1 A 107 107 THR CB C 107 69.430 70.892 -1.462 1
1 1071 . 3 1 1 A 107 107 THR N N 107 121.742 117.633 4.109 1
1 1072 . 3 1 1 A 108 108 LEU H H 108 8.900 8.697 0.203 1
1 1073 . 3 1 1 A 108 108 LEU HA H 108 5.132 5.159 -0.027 1
1 1083 . 3 1 1 A 108 108 LEU CA C 108 52.950 53.500 -0.550 1
1 1084 . 3 1 1 A 108 108 LEU CB C 108 46.730 45.275 1.455 1
1 1088 . 3 1 1 A 108 108 LEU N N 108 125.279 125.019 0.260 1
1 1089 . 3 1 1 A 109 109 VAL H H 109 8.933 8.764 0.169 1
1 1090 . 3 1 1 A 109 109 VAL HA H 109 5.532 5.089 0.443 1
1 1098 . 3 1 1 A 109 109 VAL CA C 109 60.793 61.306 -0.513 1
1 1099 . 3 1 1 A 109 109 VAL CB C 109 34.138 33.714 0.424 1
1 1102 . 3 1 1 A 109 109 VAL N N 109 122.496 124.066 -1.570 1
1 1103 . 3 1 1 A 110 110 PHE H H 110 9.737 9.170 0.567 1
1 1104 . 3 1 1 A 110 110 PHE HA H 110 6.457 5.108 1.349 1
1 1112 . 3 1 1 A 110 110 PHE CA C 110 55.265 56.205 -0.940 1
1 1113 . 3 1 1 A 110 110 PHE CB C 110 44.818 43.331 1.487 1
1 1114 . 3 1 1 A 110 110 PHE N N 110 121.114 123.886 -2.772 1
1 1115 . 3 1 1 A 111 111 GLU H H 111 9.223 8.855 0.368 1
1 1116 . 3 1 1 A 111 111 GLU HA H 111 5.202 4.728 0.474 1
1 1121 . 3 1 1 A 111 111 GLU CA C 111 56.709 54.923 1.786 1
1 1122 . 3 1 1 A 111 111 GLU CB C 111 32.338 31.317 1.021 1
1 1124 . 3 1 1 A 111 111 GLU N N 111 122.210 123.314 -1.104 1
1 1125 . 3 1 1 A 112 112 VAL H H 112 9.269 8.771 0.498 1
1 1126 . 3 1 1 A 112 112 VAL HA H 112 4.796 4.713 0.083 1
1 1134 . 3 1 1 A 112 112 VAL CA C 112 61.127 61.294 -0.167 1
1 1135 . 3 1 1 A 112 112 VAL CB C 112 34.634 33.227 1.407 1
1 1136 . 3 1 1 A 112 112 VAL N N 112 126.195 126.062 0.133 1
1 1137 . 3 1 1 A 113 113 GLU H H 113 9.545 9.046 0.499 1
1 1138 . 3 1 1 A 113 113 GLU HA H 113 5.483 5.023 0.460 1
1 1143 . 3 1 1 A 113 113 GLU CA C 113 53.159 55.321 -2.162 1
1 1144 . 3 1 1 A 113 113 GLU CB C 113 32.657 32.460 0.197 1
1 1146 . 3 1 1 A 113 113 GLU N N 113 128.111 128.527 -0.416 1
1 1147 . 3 1 1 A 114 114 LEU H H 114 8.261 8.809 -0.548 1
1 1148 . 3 1 1 A 114 114 LEU HA H 114 4.634 4.565 0.069 1
1 1158 . 3 1 1 A 114 114 LEU CA C 114 55.217 55.248 -0.031 1
1 1159 . 3 1 1 A 114 114 LEU CB C 114 41.826 42.646 -0.820 1
1 1163 . 3 1 1 A 114 114 LEU N N 114 126.273 128.644 -2.371 1
1 1164 . 3 1 1 A 115 115 LEU H H 115 9.258 9.042 0.216 1
1 1165 . 3 1 1 A 115 115 LEU HA H 115 4.453 4.320 0.133 1
1 1175 . 3 1 1 A 115 115 LEU CA C 115 55.791 56.752 -0.961 1
1 1176 . 3 1 1 A 115 115 LEU CB C 115 42.897 42.353 0.544 1
1 1180 . 3 1 1 A 115 115 LEU N N 115 130.031 128.796 1.235 1
1 1181 . 3 1 1 A 116 116 ASP H H 116 7.748 7.325 0.423 1
1 1182 . 3 1 1 A 116 116 ASP HA H 116 4.672 4.965 -0.293 1
1 1185 . 3 1 1 A 116 116 ASP CA C 116 54.385 53.633 0.752 1
1 1186 . 3 1 1 A 116 116 ASP CB C 116 43.828 44.102 -0.274 1
1 1187 . 3 1 1 A 116 116 ASP N N 116 115.338 114.303 1.035 1
1 1 . 4 1 1 A 3 3 GLY H H 3 8.684 8.162 0.522 1
1 2 . 4 1 1 A 3 3 GLY HA2 H 3 3.959 4.241 -0.282 1
1 3 . 4 1 1 A 3 3 GLY HA3 H 3 3.959 4.242 -0.283 1
1 4 . 4 1 1 A 3 3 GLY N N 3 110.167 107.625 2.542 1
1 5 . 4 1 1 A 4 4 SER H H 4 8.315 8.609 -0.294 1
1 6 . 4 1 1 A 4 4 SER HA H 4 4.468 5.218 -0.750 1
1 9 . 4 1 1 A 4 4 SER CA C 4 58.355 56.856 1.499 1
1 10 . 4 1 1 A 4 4 SER N N 4 115.851 117.315 -1.464 1
1 11 . 4 1 1 A 5 5 MET H H 5 8.640 9.132 -0.492 1
1 12 . 4 1 1 A 5 5 MET HA H 5 4.554 4.763 -0.209 1
1 17 . 4 1 1 A 5 5 MET CA C 5 55.754 54.389 1.365 1
1 18 . 4 1 1 A 5 5 MET CB C 5 32.870 31.688 1.182 1
1 20 . 4 1 1 A 5 5 MET N N 5 122.413 126.758 -4.345 1
1 21 . 4 1 1 A 6 6 THR H H 6 8.265 8.552 -0.287 1
1 22 . 4 1 1 A 6 6 THR HA H 6 4.296 5.017 -0.721 1
1 27 . 4 1 1 A 6 6 THR CA C 6 62.224 60.029 2.195 1
1 28 . 4 1 1 A 6 6 THR CB C 6 69.806 71.769 -1.963 1
1 30 . 4 1 1 A 6 6 THR N N 6 116.270 119.332 -3.062 1
1 31 . 4 1 1 A 7 7 VAL H H 7 8.068 8.652 -0.584 1
1 32 . 4 1 1 A 7 7 VAL HA H 7 4.200 4.313 -0.113 1
1 40 . 4 1 1 A 7 7 VAL CA C 7 62.021 62.585 -0.564 1
1 41 . 4 1 1 A 7 7 VAL CB C 7 32.773 31.584 1.189 1
1 44 . 4 1 1 A 7 7 VAL N N 7 124.632 127.292 -2.660 1
1 45 . 4 1 1 A 8 8 VAL H H 8 8.985 8.344 0.641 1
1 46 . 4 1 1 A 8 8 VAL HA H 8 3.872 4.576 -0.704 1
1 54 . 4 1 1 A 8 8 VAL CA C 8 61.848 61.311 0.537 1
1 55 . 4 1 1 A 8 8 VAL CB C 8 33.157 33.194 -0.037 1
1 58 . 4 1 1 A 8 8 VAL N N 8 132.503 128.485 4.018 1
1 59 . 4 1 1 A 9 9 THR H H 9 8.213 8.596 -0.383 1
1 60 . 4 1 1 A 9 9 THR HA H 9 5.250 4.986 0.264 1
1 65 . 4 1 1 A 9 9 THR CA C 9 61.040 61.656 -0.616 1
1 66 . 4 1 1 A 9 9 THR CB C 9 69.773 71.223 -1.450 1
1 68 . 4 1 1 A 9 9 THR N N 9 121.386 121.859 -0.473 1
1 69 . 4 1 1 A 10 10 THR H H 10 9.318 8.195 1.123 1
1 70 . 4 1 1 A 10 10 THR HA H 10 4.693 4.879 -0.186 1
1 75 . 4 1 1 A 10 10 THR CA C 10 60.077 59.753 0.324 1
1 76 . 4 1 1 A 10 10 THR CB C 10 70.131 71.425 -1.294 1
1 78 . 4 1 1 A 10 10 THR N N 10 119.882 113.807 6.075 1
1 79 . 4 1 1 A 11 11 GLU H H 11 9.051 9.066 -0.015 1
1 80 . 4 1 1 A 11 11 GLU HA H 11 4.028 4.136 -0.108 1
1 85 . 4 1 1 A 11 11 GLU CA C 11 59.072 58.761 0.311 1
1 86 . 4 1 1 A 11 11 GLU CB C 11 29.516 29.195 0.321 1
1 88 . 4 1 1 A 11 11 GLU N N 11 120.586 120.237 0.349 1
1 89 . 4 1 1 A 12 12 SER H H 12 8.445 7.774 0.671 1
1 90 . 4 1 1 A 12 12 SER HA H 12 4.302 4.492 -0.190 1
1 93 . 4 1 1 A 12 12 SER CA C 12 58.483 59.348 -0.865 1
1 94 . 4 1 1 A 12 12 SER CB C 12 63.034 63.358 -0.324 1
1 95 . 4 1 1 A 12 12 SER N N 12 114.574 114.092 0.482 1
1 96 . 4 1 1 A 13 13 GLY H H 13 7.798 7.608 0.190 1
1 97 . 4 1 1 A 13 13 GLY HA2 H 13 3.425 4.066 -0.641 1
1 98 . 4 1 1 A 13 13 GLY HA3 H 13 4.401 4.067 0.334 1
1 99 . 4 1 1 A 13 13 GLY CA C 13 44.276 45.331 -1.055 1
1 100 . 4 1 1 A 13 13 GLY N N 13 109.024 108.318 0.706 1
1 101 . 4 1 1 A 14 14 LEU H H 14 7.501 7.858 -0.357 1
1 102 . 4 1 1 A 14 14 LEU HA H 14 3.967 4.361 -0.394 1
1 112 . 4 1 1 A 14 14 LEU CA C 14 56.343 55.738 0.605 1
1 113 . 4 1 1 A 14 14 LEU CB C 14 41.856 43.040 -1.184 1
1 117 . 4 1 1 A 14 14 LEU N N 14 123.870 123.497 0.373 1
1 118 . 4 1 1 A 15 15 LYS H H 15 7.812 8.408 -0.596 1
1 119 . 4 1 1 A 15 15 LYS HA H 15 5.942 5.202 0.740 1
1 127 . 4 1 1 A 15 15 LYS CA C 15 54.052 55.251 -1.199 1
1 128 . 4 1 1 A 15 15 LYS CB C 15 36.289 35.079 1.210 1
1 132 . 4 1 1 A 15 15 LYS N N 15 123.667 125.379 -1.712 1
1 133 . 4 1 1 A 16 16 TYR H H 16 9.289 9.017 0.272 1
1 134 . 4 1 1 A 16 16 TYR HA H 16 5.996 5.524 0.472 1
1 141 . 4 1 1 A 16 16 TYR CA C 16 55.784 56.259 -0.475 1
1 142 . 4 1 1 A 16 16 TYR CB C 16 43.297 41.965 1.332 1
1 143 . 4 1 1 A 16 16 TYR N N 16 117.890 117.710 0.180 1
1 144 . 4 1 1 A 17 17 GLU H H 17 8.728 9.018 -0.290 1
1 145 . 4 1 1 A 17 17 GLU HA H 17 4.860 4.633 0.227 1
1 150 . 4 1 1 A 17 17 GLU CA C 17 54.072 54.870 -0.798 1
1 151 . 4 1 1 A 17 17 GLU CB C 17 35.222 33.696 1.526 1
1 152 . 4 1 1 A 17 17 GLU N N 17 118.386 121.330 -2.944 1
1 153 . 4 1 1 A 18 18 ASP H H 18 9.596 8.850 0.746 1
1 154 . 4 1 1 A 18 18 ASP HA H 18 5.296 4.774 0.522 1
1 157 . 4 1 1 A 18 18 ASP CA C 18 55.695 54.598 1.097 1
1 158 . 4 1 1 A 18 18 ASP CB C 18 40.940 40.910 0.030 1
1 159 . 4 1 1 A 18 18 ASP N N 18 127.059 126.205 0.854 1
1 160 . 4 1 1 A 19 19 LEU H H 19 8.609 9.108 -0.499 1
1 161 . 4 1 1 A 19 19 LEU HA H 19 4.275 4.553 -0.278 1
1 171 . 4 1 1 A 19 19 LEU CA C 19 56.923 55.853 1.070 1
1 172 . 4 1 1 A 19 19 LEU CB C 19 41.074 43.695 -2.621 1
1 176 . 4 1 1 A 19 19 LEU N N 19 128.620 124.504 4.116 1
1 177 . 4 1 1 A 20 20 THR H H 20 8.136 8.080 0.056 1
1 178 . 4 1 1 A 20 20 THR HA H 20 4.400 4.847 -0.447 1
1 183 . 4 1 1 A 20 20 THR CA C 20 61.835 61.287 0.548 1
1 184 . 4 1 1 A 20 20 THR CB C 20 72.411 71.588 0.823 1
1 186 . 4 1 1 A 20 20 THR N N 20 112.473 111.863 0.610 1
1 187 . 4 1 1 A 21 21 GLU H H 21 9.354 8.915 0.439 1
1 188 . 4 1 1 A 21 21 GLU HA H 21 4.370 4.320 0.050 1
1 193 . 4 1 1 A 21 21 GLU CA C 21 56.277 57.296 -1.019 1
1 194 . 4 1 1 A 21 21 GLU CB C 21 30.368 30.784 -0.416 1
1 196 . 4 1 1 A 21 21 GLU N N 21 130.043 126.706 3.337 1
1 197 . 4 1 1 A 22 22 GLY H H 22 9.071 8.576 0.495 1
1 198 . 4 1 1 A 22 22 GLY HA2 H 22 3.446 4.110 -0.664 1
1 199 . 4 1 1 A 22 22 GLY HA3 H 22 3.742 4.111 -0.369 1
1 200 . 4 1 1 A 22 22 GLY CA C 22 45.343 45.917 -0.574 1
1 201 . 4 1 1 A 22 22 GLY N N 22 113.930 109.787 4.143 1
1 202 . 4 1 1 A 23 23 SER H H 23 8.040 8.083 -0.043 1
1 203 . 4 1 1 A 23 23 SER HA H 23 4.671 4.096 0.575 1
1 206 . 4 1 1 A 23 23 SER CA C 23 57.488 59.161 -1.673 1
1 207 . 4 1 1 A 23 23 SER CB C 23 65.069 61.365 3.704 1
1 208 . 4 1 1 A 23 23 SER N N 23 111.747 111.991 -0.244 1
1 209 . 4 1 1 A 24 24 GLY H H 24 8.418 8.048 0.370 1
1 210 . 4 1 1 A 24 24 GLY HA2 H 24 3.693 4.160 -0.467 1
1 211 . 4 1 1 A 24 24 GLY HA3 H 24 4.328 4.160 0.168 1
1 212 . 4 1 1 A 24 24 GLY CA C 24 44.138 45.363 -1.225 1
1 213 . 4 1 1 A 24 24 GLY N N 24 111.391 106.603 4.788 1
1 214 . 4 1 1 A 25 25 ALA H H 25 8.342 8.244 0.098 1
1 215 . 4 1 1 A 25 25 ALA HA H 25 4.061 4.706 -0.645 1
1 219 . 4 1 1 A 25 25 ALA CA C 25 52.551 51.091 1.460 1
1 220 . 4 1 1 A 25 25 ALA CB C 25 19.752 20.302 -0.550 1
1 221 . 4 1 1 A 25 25 ALA N N 25 123.675 123.487 0.188 1
1 222 . 4 1 1 A 26 26 GLU H H 26 8.194 8.633 -0.439 1
1 223 . 4 1 1 A 26 26 GLU HA H 26 4.498 4.710 -0.212 1
1 228 . 4 1 1 A 26 26 GLU CA C 26 55.174 56.187 -1.013 1
1 229 . 4 1 1 A 26 26 GLU CB C 26 31.906 30.696 1.210 1
1 231 . 4 1 1 A 26 26 GLU N N 26 119.186 122.780 -3.594 1
1 232 . 4 1 1 A 27 27 ALA H H 27 8.930 8.208 0.722 1
1 233 . 4 1 1 A 27 27 ALA HA H 27 4.527 4.256 0.271 1
1 237 . 4 1 1 A 27 27 ALA CA C 27 51.815 52.925 -1.110 1
1 238 . 4 1 1 A 27 27 ALA CB C 27 19.057 19.220 -0.163 1
1 239 . 4 1 1 A 27 27 ALA N N 27 127.513 126.843 0.670 1
1 240 . 4 1 1 A 28 28 ARG H H 28 8.348 8.692 -0.344 1
1 241 . 4 1 1 A 28 28 ARG HA H 28 4.563 4.916 -0.353 1
1 246 . 4 1 1 A 28 28 ARG CA C 28 53.584 54.113 -0.529 1
1 247 . 4 1 1 A 28 28 ARG CB C 28 33.571 33.634 -0.063 1
1 250 . 4 1 1 A 28 28 ARG N N 28 124.054 121.215 2.839 1
1 251 . 4 1 1 A 29 29 ALA H H 29 8.387 8.610 -0.223 1
1 252 . 4 1 1 A 29 29 ALA HA H 29 3.594 3.920 -0.326 1
1 256 . 4 1 1 A 29 29 ALA CA C 29 53.535 53.943 -0.408 1
1 257 . 4 1 1 A 29 29 ALA CB C 29 17.781 18.426 -0.645 1
1 258 . 4 1 1 A 29 29 ALA N N 29 122.289 126.320 -4.031 1
1 259 . 4 1 1 A 30 30 GLY H H 30 9.043 8.988 0.055 1
1 260 . 4 1 1 A 30 30 GLY HA2 H 30 3.451 3.991 -0.540 1
1 261 . 4 1 1 A 30 30 GLY HA3 H 30 4.378 3.992 0.386 1
1 262 . 4 1 1 A 30 30 GLY CA C 30 44.562 45.082 -0.520 1
1 263 . 4 1 1 A 30 30 GLY N N 30 110.956 111.123 -0.167 1
1 264 . 4 1 1 A 31 31 GLN H H 31 7.620 7.669 -0.049 1
1 265 . 4 1 1 A 31 31 GLN HA H 31 4.343 4.678 -0.335 1
1 272 . 4 1 1 A 31 31 GLN CA C 31 55.410 55.018 0.392 1
1 273 . 4 1 1 A 31 31 GLN CB C 31 30.151 30.736 -0.585 1
1 275 . 4 1 1 A 31 31 GLN N N 31 119.756 117.796 1.960 1
1 277 . 4 1 1 A 32 32 THR H H 32 8.793 8.487 0.306 1
1 278 . 4 1 1 A 32 32 THR HA H 32 4.463 4.881 -0.418 1
1 283 . 4 1 1 A 32 32 THR CA C 32 63.072 62.053 1.019 1
1 284 . 4 1 1 A 32 32 THR CB C 32 68.380 70.221 -1.841 1
1 286 . 4 1 1 A 32 32 THR N N 32 119.718 117.934 1.784 1
1 287 . 4 1 1 A 33 33 VAL H H 33 8.393 8.751 -0.358 1
1 288 . 4 1 1 A 33 33 VAL HA H 33 4.712 4.968 -0.256 1
1 296 . 4 1 1 A 33 33 VAL CA C 33 58.274 58.875 -0.601 1
1 297 . 4 1 1 A 33 33 VAL CB C 33 33.309 35.825 -2.516 1
1 300 . 4 1 1 A 33 33 VAL N N 33 120.513 120.314 0.199 1
1 301 . 4 1 1 A 34 34 SER H H 34 7.865 9.192 -1.327 1
1 302 . 4 1 1 A 34 34 SER HA H 34 5.262 5.371 -0.109 1
1 305 . 4 1 1 A 34 34 SER CA C 34 56.443 56.638 -0.195 1
1 306 . 4 1 1 A 34 34 SER CB C 34 64.882 64.763 0.119 1
1 307 . 4 1 1 A 34 34 SER N N 34 113.652 117.316 -3.664 1
1 308 . 4 1 1 A 35 35 VAL H H 35 9.531 9.224 0.307 1
1 309 . 4 1 1 A 35 35 VAL HA H 35 5.715 5.308 0.407 1
1 317 . 4 1 1 A 35 35 VAL CA C 35 58.226 59.000 -0.774 1
1 318 . 4 1 1 A 35 35 VAL CB C 35 35.412 36.083 -0.671 1
1 321 . 4 1 1 A 35 35 VAL N N 35 117.985 120.726 -2.741 1
1 322 . 4 1 1 A 36 36 HIS H H 36 8.812 9.083 -0.271 1
1 323 . 4 1 1 A 36 36 HIS HA H 36 5.784 5.633 0.151 1
1 328 . 4 1 1 A 36 36 HIS CA C 36 54.671 53.843 0.828 1
1 329 . 4 1 1 A 36 36 HIS CB C 36 35.786 32.333 3.453 1
1 330 . 4 1 1 A 36 36 HIS N N 36 118.227 119.718 -1.491 1
1 331 . 4 1 1 A 37 37 TYR H H 37 9.680 8.853 0.827 1
1 332 . 4 1 1 A 37 37 TYR HA H 37 6.201 5.924 0.277 1
1 339 . 4 1 1 A 37 37 TYR CA C 37 56.280 55.372 0.908 1
1 340 . 4 1 1 A 37 37 TYR CB C 37 43.791 41.340 2.451 1
1 341 . 4 1 1 A 37 37 TYR N N 37 116.878 119.796 -2.918 1
1 342 . 4 1 1 A 38 38 THR H H 38 8.478 8.834 -0.356 1
1 343 . 4 1 1 A 38 38 THR HA H 38 4.374 4.933 -0.559 1
1 348 . 4 1 1 A 38 38 THR CA C 38 62.692 59.682 3.010 1
1 349 . 4 1 1 A 38 38 THR CB C 38 71.675 71.534 0.141 1
1 351 . 4 1 1 A 38 38 THR N N 38 117.172 117.076 0.096 1
1 352 . 4 1 1 A 39 39 GLY H H 39 8.332 8.990 -0.658 1
1 353 . 4 1 1 A 39 39 GLY HA2 H 39 1.943 3.441 -1.498 1
1 354 . 4 1 1 A 39 39 GLY HA3 H 39 4.624 3.612 1.012 1
1 355 . 4 1 1 A 39 39 GLY CA C 39 44.767 44.380 0.387 1
1 356 . 4 1 1 A 39 39 GLY N N 39 113.042 112.401 0.641 1
1 357 . 4 1 1 A 40 40 TRP H H 40 9.669 8.830 0.839 1
1 358 . 4 1 1 A 40 40 TRP HA H 40 5.499 5.443 0.056 1
1 366 . 4 1 1 A 40 40 TRP CA C 40 57.026 55.976 1.050 1
1 367 . 4 1 1 A 40 40 TRP CB C 40 34.177 33.504 0.673 1
1 368 . 4 1 1 A 40 40 TRP N N 40 123.550 125.981 -2.431 1
1 370 . 4 1 1 A 41 41 LEU H H 41 8.699 9.005 -0.306 1
1 371 . 4 1 1 A 41 41 LEU HA H 41 5.056 4.844 0.212 1
1 381 . 4 1 1 A 41 41 LEU CA C 41 54.040 53.293 0.747 1
1 382 . 4 1 1 A 41 41 LEU CB C 41 41.981 43.943 -1.962 1
1 386 . 4 1 1 A 41 41 LEU N N 41 119.318 122.230 -2.912 1
1 387 . 4 1 1 A 42 42 THR H H 42 9.418 8.859 0.559 1
1 388 . 4 1 1 A 42 42 THR HA H 42 3.962 3.983 -0.021 1
1 393 . 4 1 1 A 42 42 THR CA C 42 65.117 65.231 -0.114 1
1 394 . 4 1 1 A 42 42 THR CB C 42 68.693 68.301 0.392 1
1 396 . 4 1 1 A 42 42 THR N N 42 112.465 116.701 -4.236 1
1 397 . 4 1 1 A 43 43 ASP H H 43 7.690 7.975 -0.285 1
1 398 . 4 1 1 A 43 43 ASP HA H 43 4.538 4.554 -0.016 1
1 401 . 4 1 1 A 43 43 ASP CA C 43 53.655 54.166 -0.511 1
1 402 . 4 1 1 A 43 43 ASP CB C 43 40.109 41.131 -1.022 1
1 403 . 4 1 1 A 43 43 ASP N N 43 118.952 119.921 -0.969 1
1 404 . 4 1 1 A 44 44 GLY H H 44 8.043 8.208 -0.165 1
1 405 . 4 1 1 A 44 44 GLY HA2 H 44 3.521 3.893 -0.372 1
1 406 . 4 1 1 A 44 44 GLY HA3 H 44 4.318 3.897 0.421 1
1 407 . 4 1 1 A 44 44 GLY CA C 44 44.869 45.025 -0.156 1
1 408 . 4 1 1 A 44 44 GLY N N 44 107.790 106.216 1.574 1
1 409 . 4 1 1 A 45 45 GLN H H 45 8.355 7.862 0.493 1
1 410 . 4 1 1 A 45 45 GLN HA H 45 4.319 4.494 -0.175 1
1 417 . 4 1 1 A 45 45 GLN CA C 45 56.909 55.205 1.704 1
1 418 . 4 1 1 A 45 45 GLN CB C 45 29.837 30.202 -0.365 1
1 420 . 4 1 1 A 45 45 GLN N N 45 121.541 119.567 1.974 1
1 422 . 4 1 1 A 46 46 LYS H H 46 8.915 8.650 0.265 1
1 423 . 4 1 1 A 46 46 LYS HA H 46 4.454 4.861 -0.407 1
1 432 . 4 1 1 A 46 46 LYS CA C 46 55.782 56.035 -0.253 1
1 433 . 4 1 1 A 46 46 LYS CB C 46 33.097 33.172 -0.075 1
1 437 . 4 1 1 A 46 46 LYS N N 46 129.310 125.073 4.237 1
1 438 . 4 1 1 A 47 47 PHE H H 47 8.440 9.089 -0.649 1
1 439 . 4 1 1 A 47 47 PHE HA H 47 5.103 4.993 0.110 1
1 447 . 4 1 1 A 47 47 PHE CA C 47 56.272 56.799 -0.527 1
1 448 . 4 1 1 A 47 47 PHE CB C 47 41.094 40.206 0.888 1
1 449 . 4 1 1 A 47 47 PHE N N 47 122.874 123.018 -0.144 1
1 450 . 4 1 1 A 48 48 ASP H H 48 6.744 7.557 -0.813 1
1 451 . 4 1 1 A 48 48 ASP HA H 48 4.790 4.795 -0.005 1
1 454 . 4 1 1 A 48 48 ASP CA C 48 54.518 54.275 0.243 1
1 455 . 4 1 1 A 48 48 ASP CB C 48 43.929 44.193 -0.264 1
1 456 . 4 1 1 A 48 48 ASP N N 48 118.152 119.667 -1.515 1
1 457 . 4 1 1 A 49 49 SER H H 49 8.122 8.545 -0.423 1
1 458 . 4 1 1 A 49 49 SER HA H 49 4.608 5.151 -0.543 1
1 461 . 4 1 1 A 49 49 SER CA C 49 56.963 56.225 0.738 1
1 462 . 4 1 1 A 49 49 SER CB C 49 64.699 66.278 -1.579 1
1 463 . 4 1 1 A 49 49 SER N N 49 117.585 119.789 -2.204 1
1 464 . 4 1 1 A 50 50 SER H H 50 8.020 8.825 -0.805 1
1 465 . 4 1 1 A 50 50 SER HA H 50 4.045 4.130 -0.085 1
1 468 . 4 1 1 A 50 50 SER CA C 50 61.482 61.045 0.437 1
1 469 . 4 1 1 A 50 50 SER CB C 50 61.488 62.973 -1.485 1
1 470 . 4 1 1 A 50 50 SER N N 50 124.801 119.035 5.766 1
1 471 . 4 1 1 A 51 51 LYS H H 51 7.730 7.985 -0.255 1
1 472 . 4 1 1 A 51 51 LYS HA H 51 3.505 4.011 -0.506 1
1 481 . 4 1 1 A 51 51 LYS CA C 51 58.921 58.903 0.018 1
1 482 . 4 1 1 A 51 51 LYS CB C 51 31.346 32.065 -0.719 1
1 486 . 4 1 1 A 51 51 LYS N N 51 124.103 122.899 1.204 1
1 487 . 4 1 1 A 52 52 ASP H H 52 7.324 8.008 -0.684 1
1 488 . 4 1 1 A 52 52 ASP HA H 52 4.284 4.326 -0.042 1
1 491 . 4 1 1 A 52 52 ASP CA C 52 56.524 57.650 -1.126 1
1 492 . 4 1 1 A 52 52 ASP CB C 52 40.201 41.709 -1.508 1
1 493 . 4 1 1 A 52 52 ASP N N 52 118.971 119.620 -0.649 1
1 494 . 4 1 1 A 53 53 ARG H H 53 6.923 7.817 -0.894 1
1 495 . 4 1 1 A 53 53 ARG HA H 53 4.461 4.323 0.138 1
1 502 . 4 1 1 A 53 53 ARG CA C 53 55.597 57.194 -1.597 1
1 503 . 4 1 1 A 53 53 ARG CB C 53 31.289 31.854 -0.565 1
1 506 . 4 1 1 A 53 53 ARG N N 53 114.803 115.523 -0.720 1
1 507 . 4 1 1 A 54 54 ASN H H 54 7.827 8.087 -0.260 1
1 508 . 4 1 1 A 54 54 ASN HA H 54 4.352 4.379 -0.027 1
1 513 . 4 1 1 A 54 54 ASN CA C 54 54.339 54.198 0.141 1
1 514 . 4 1 1 A 54 54 ASN CB C 54 37.849 37.221 0.628 1
1 515 . 4 1 1 A 54 54 ASN N N 54 117.421 117.741 -0.320 1
1 517 . 4 1 1 A 55 55 ASP H H 55 7.580 7.956 -0.376 1
1 518 . 4 1 1 A 55 55 ASP HA H 55 5.360 5.085 0.275 1
1 521 . 4 1 1 A 55 55 ASP CA C 55 51.697 50.742 0.955 1
1 522 . 4 1 1 A 55 55 ASP CB C 55 43.377 44.792 -1.415 1
1 523 . 4 1 1 A 55 55 ASP N N 55 115.802 119.294 -3.492 1
1 524 . 4 1 1 A 56 56 PRO HA H 56 4.022 3.570 0.452 1
1 531 . 4 1 1 A 56 56 PRO CA C 56 63.115 62.322 0.793 1
1 532 . 4 1 1 A 56 56 PRO CB C 56 32.348 32.429 -0.081 1
1 535 . 4 1 1 A 57 57 PHE H H 57 9.207 8.327 0.880 1
1 536 . 4 1 1 A 57 57 PHE HA H 57 4.874 4.747 0.127 1
1 544 . 4 1 1 A 57 57 PHE CA C 57 57.290 57.373 -0.083 1
1 545 . 4 1 1 A 57 57 PHE CB C 57 42.517 39.666 2.851 1
1 546 . 4 1 1 A 57 57 PHE N N 57 124.509 123.204 1.305 1
1 547 . 4 1 1 A 58 58 ALA H H 58 7.942 8.799 -0.857 1
1 548 . 4 1 1 A 58 58 ALA HA H 58 5.928 5.492 0.436 1
1 552 . 4 1 1 A 58 58 ALA CA C 58 49.705 50.531 -0.826 1
1 553 . 4 1 1 A 58 58 ALA CB C 58 21.621 21.670 -0.049 1
1 554 . 4 1 1 A 58 58 ALA N N 58 130.661 129.938 0.723 1
1 555 . 4 1 1 A 59 59 PHE H H 59 8.455 8.577 -0.122 1
1 556 . 4 1 1 A 59 59 PHE HA H 59 4.660 5.025 -0.365 1
1 564 . 4 1 1 A 59 59 PHE CA C 59 55.610 56.084 -0.474 1
1 565 . 4 1 1 A 59 59 PHE CB C 59 40.857 40.477 0.380 1
1 566 . 4 1 1 A 59 59 PHE N N 59 114.967 116.773 -1.806 1
1 567 . 4 1 1 A 60 60 VAL H H 60 8.168 8.621 -0.453 1
1 568 . 4 1 1 A 60 60 VAL HA H 60 4.084 4.791 -0.707 1
1 576 . 4 1 1 A 60 60 VAL CA C 60 61.907 60.179 1.728 1
1 577 . 4 1 1 A 60 60 VAL CB C 60 31.564 33.778 -2.214 1
1 580 . 4 1 1 A 60 60 VAL N N 60 120.308 120.753 -0.445 1
1 581 . 4 1 1 A 61 61 LEU H H 61 8.900 8.376 0.524 1
1 582 . 4 1 1 A 61 61 LEU HA H 61 4.248 3.991 0.257 1
1 592 . 4 1 1 A 61 61 LEU CA C 61 56.558 56.215 0.343 1
1 593 . 4 1 1 A 61 61 LEU CB C 61 41.736 41.912 -0.176 1
1 597 . 4 1 1 A 61 61 LEU N N 61 134.513 128.798 5.715 1
1 598 . 4 1 1 A 62 62 GLY H H 62 9.652 8.688 0.964 1
1 599 . 4 1 1 A 62 62 GLY HA2 H 62 3.558 3.993 -0.435 1
1 600 . 4 1 1 A 62 62 GLY HA3 H 62 4.154 4.019 0.135 1
1 601 . 4 1 1 A 62 62 GLY CA C 62 45.721 46.101 -0.380 1
1 602 . 4 1 1 A 62 62 GLY N N 62 119.352 114.684 4.668 1
1 603 . 4 1 1 A 63 63 GLY H H 63 8.338 7.872 0.466 1
1 604 . 4 1 1 A 63 63 GLY HA2 H 63 3.557 3.939 -0.382 1
1 605 . 4 1 1 A 63 63 GLY HA3 H 63 4.298 3.981 0.317 1
1 606 . 4 1 1 A 63 63 GLY CA C 63 45.442 46.474 -1.032 1
1 607 . 4 1 1 A 63 63 GLY N N 63 107.002 108.120 -1.118 1
1 608 . 4 1 1 A 64 64 GLY H H 64 9.301 8.553 0.748 1
1 609 . 4 1 1 A 64 64 GLY HA2 H 64 4.057 3.980 0.077 1
1 610 . 4 1 1 A 64 64 GLY HA3 H 64 4.057 3.986 0.071 1
1 611 . 4 1 1 A 64 64 GLY CA C 64 46.425 46.732 -0.307 1
1 612 . 4 1 1 A 64 64 GLY N N 64 112.092 108.042 4.050 1
1 613 . 4 1 1 A 65 65 MET H H 65 9.574 8.141 1.433 1
1 614 . 4 1 1 A 65 65 MET HA H 65 4.546 4.666 -0.120 1
1 619 . 4 1 1 A 65 65 MET CA C 65 55.641 54.761 0.880 1
1 620 . 4 1 1 A 65 65 MET CB C 65 33.268 34.005 -0.737 1
1 622 . 4 1 1 A 65 65 MET N N 65 118.659 117.338 1.321 1
1 623 . 4 1 1 A 66 66 VAL H H 66 6.867 7.451 -0.584 1
1 624 . 4 1 1 A 66 66 VAL HA H 66 4.454 4.568 -0.114 1
1 632 . 4 1 1 A 66 66 VAL CA C 66 57.545 58.602 -1.057 1
1 633 . 4 1 1 A 66 66 VAL CB C 66 35.736 35.788 -0.052 1
1 636 . 4 1 1 A 66 66 VAL N N 66 108.649 115.974 -7.325 1
1 637 . 4 1 1 A 67 67 ILE H H 67 7.158 7.786 -0.628 1
1 638 . 4 1 1 A 67 67 ILE HA H 67 3.894 4.153 -0.259 1
1 648 . 4 1 1 A 67 67 ILE CA C 67 62.065 61.519 0.546 1
1 649 . 4 1 1 A 67 67 ILE CB C 67 37.130 38.745 -1.615 1
1 653 . 4 1 1 A 67 67 ILE N N 67 111.614 117.165 -5.551 1
1 654 . 4 1 1 A 68 68 LYS H H 68 9.182 8.958 0.224 1
1 655 . 4 1 1 A 68 68 LYS HA H 68 4.241 3.946 0.295 1
1 664 . 4 1 1 A 68 68 LYS CA C 68 60.042 59.562 0.480 1
1 665 . 4 1 1 A 68 68 LYS CB C 68 33.366 32.227 1.139 1
1 669 . 4 1 1 A 68 68 LYS N N 68 125.685 123.527 2.158 1
1 670 . 4 1 1 A 69 69 GLY H H 69 9.653 8.337 1.316 1
1 671 . 4 1 1 A 69 69 GLY HA2 H 69 3.595 3.870 -0.275 1
1 672 . 4 1 1 A 69 69 GLY HA3 H 69 3.971 3.909 0.062 1
1 673 . 4 1 1 A 69 69 GLY CA C 69 47.597 47.406 0.191 1
1 674 . 4 1 1 A 69 69 GLY N N 69 102.438 106.927 -4.489 1
1 675 . 4 1 1 A 70 70 TRP H H 70 7.745 7.874 -0.129 1
1 676 . 4 1 1 A 70 70 TRP HA H 70 4.152 4.556 -0.404 1
1 684 . 4 1 1 A 70 70 TRP CA C 70 60.737 60.527 0.210 1
1 685 . 4 1 1 A 70 70 TRP CB C 70 29.185 28.257 0.928 1
1 686 . 4 1 1 A 70 70 TRP N N 70 120.118 121.325 -1.207 1
1 687 . 4 1 1 A 71 71 ASP H H 71 7.058 8.477 -1.419 1
1 688 . 4 1 1 A 71 71 ASP HA H 71 4.878 4.324 0.554 1
1 691 . 4 1 1 A 71 71 ASP CA C 71 57.165 57.398 -0.233 1
1 692 . 4 1 1 A 71 71 ASP CB C 71 40.749 40.107 0.642 1
1 693 . 4 1 1 A 71 71 ASP N N 71 120.287 119.398 0.889 1
1 694 . 4 1 1 A 72 72 GLU H H 72 7.856 8.653 -0.797 1
1 695 . 4 1 1 A 72 72 GLU HA H 72 4.120 4.067 0.053 1
1 700 . 4 1 1 A 72 72 GLU CA C 72 58.236 59.413 -1.177 1
1 701 . 4 1 1 A 72 72 GLU CB C 72 30.409 29.161 1.248 1
1 703 . 4 1 1 A 72 72 GLU N N 72 114.126 118.982 -4.856 1
1 704 . 4 1 1 A 73 73 GLY H H 73 7.732 8.072 -0.340 1
1 705 . 4 1 1 A 73 73 GLY HA2 H 73 3.565 3.665 -0.100 1
1 706 . 4 1 1 A 73 73 GLY HA3 H 73 3.565 3.677 -0.112 1
1 707 . 4 1 1 A 73 73 GLY CA C 73 47.427 47.265 0.162 1
1 708 . 4 1 1 A 73 73 GLY N N 73 104.848 107.961 -3.113 1
1 709 . 4 1 1 A 74 74 VAL H H 74 8.138 8.439 -0.301 1
1 710 . 4 1 1 A 74 74 VAL HA H 74 3.630 3.759 -0.129 1
1 718 . 4 1 1 A 74 74 VAL CA C 74 63.679 65.813 -2.134 1
1 719 . 4 1 1 A 74 74 VAL CB C 74 31.206 31.383 -0.177 1
1 722 . 4 1 1 A 74 74 VAL N N 74 117.660 121.808 -4.148 1
1 723 . 4 1 1 A 75 75 GLN H H 75 6.431 8.001 -1.570 1
1 724 . 4 1 1 A 75 75 GLN HA H 75 3.598 4.178 -0.580 1
1 731 . 4 1 1 A 75 75 GLN CA C 75 58.343 56.878 1.465 1
1 732 . 4 1 1 A 75 75 GLN CB C 75 28.747 28.557 0.190 1
1 734 . 4 1 1 A 75 75 GLN N N 75 116.376 119.651 -3.275 1
1 736 . 4 1 1 A 76 76 GLY H H 76 8.577 7.640 0.937 1
1 737 . 4 1 1 A 76 76 GLY HA2 H 76 3.647 4.051 -0.404 1
1 738 . 4 1 1 A 76 76 GLY HA3 H 76 4.510 4.054 0.456 1
1 739 . 4 1 1 A 76 76 GLY CA C 76 45.092 45.566 -0.474 1
1 740 . 4 1 1 A 76 76 GLY N N 76 111.539 107.403 4.136 1
1 741 . 4 1 1 A 77 77 MET H H 77 7.609 7.628 -0.019 1
1 742 . 4 1 1 A 77 77 MET HA H 77 3.948 4.402 -0.454 1
1 747 . 4 1 1 A 77 77 MET CA C 77 58.260 55.878 2.382 1
1 748 . 4 1 1 A 77 77 MET CB C 77 34.641 33.022 1.619 1
1 750 . 4 1 1 A 77 77 MET N N 77 119.140 118.999 0.141 1
1 751 . 4 1 1 A 78 78 LYS H H 78 8.348 8.838 -0.490 1
1 752 . 4 1 1 A 78 78 LYS HA H 78 5.015 5.041 -0.026 1
1 761 . 4 1 1 A 78 78 LYS CA C 78 54.136 54.245 -0.109 1
1 762 . 4 1 1 A 78 78 LYS CB C 78 34.944 35.498 -0.554 1
1 766 . 4 1 1 A 78 78 LYS N N 78 119.308 121.091 -1.783 1
1 767 . 4 1 1 A 79 79 VAL H H 79 8.622 8.938 -0.316 1
1 768 . 4 1 1 A 79 79 VAL HA H 79 3.160 3.483 -0.323 1
1 776 . 4 1 1 A 79 79 VAL CA C 79 66.585 65.509 1.076 1
1 777 . 4 1 1 A 79 79 VAL CB C 79 31.690 31.348 0.342 1
1 780 . 4 1 1 A 79 79 VAL N N 79 123.215 122.464 0.751 1
1 781 . 4 1 1 A 80 80 GLY H H 80 8.623 8.775 -0.152 1
1 782 . 4 1 1 A 80 80 GLY HA2 H 80 3.901 4.032 -0.131 1
1 783 . 4 1 1 A 80 80 GLY HA3 H 80 4.654 4.037 0.617 1
1 784 . 4 1 1 A 80 80 GLY CA C 80 44.457 45.143 -0.686 1
1 785 . 4 1 1 A 80 80 GLY N N 80 115.910 114.826 1.084 1
1 786 . 4 1 1 A 81 81 GLY H H 81 9.283 8.356 0.927 1
1 787 . 4 1 1 A 81 81 GLY HA2 H 81 3.574 4.004 -0.430 1
1 788 . 4 1 1 A 81 81 GLY HA3 H 81 3.916 4.006 -0.090 1
1 789 . 4 1 1 A 81 81 GLY CA C 81 45.310 44.946 0.364 1
1 790 . 4 1 1 A 81 81 GLY N N 81 111.030 108.114 2.916 1
1 791 . 4 1 1 A 82 82 VAL H H 82 8.403 8.748 -0.345 1
1 792 . 4 1 1 A 82 82 VAL HA H 82 5.141 4.966 0.175 1
1 800 . 4 1 1 A 82 82 VAL CA C 82 61.633 61.287 0.346 1
1 801 . 4 1 1 A 82 82 VAL CB C 82 34.572 34.465 0.107 1
1 804 . 4 1 1 A 82 82 VAL N N 82 119.626 124.438 -4.812 1
1 805 . 4 1 1 A 83 83 ARG H H 83 9.383 8.958 0.425 1
1 806 . 4 1 1 A 83 83 ARG HA H 83 5.354 5.122 0.232 1
1 813 . 4 1 1 A 83 83 ARG CA C 83 54.577 54.457 0.120 1
1 814 . 4 1 1 A 83 83 ARG CB C 83 35.933 34.064 1.869 1
1 817 . 4 1 1 A 83 83 ARG N N 83 130.545 124.508 6.037 1
1 818 . 4 1 1 A 84 84 ARG H H 84 9.618 8.742 0.876 1
1 819 . 4 1 1 A 84 84 ARG HA H 84 5.650 4.910 0.740 1
1 826 . 4 1 1 A 84 84 ARG CA C 84 54.383 55.282 -0.899 1
1 827 . 4 1 1 A 84 84 ARG CB C 84 32.969 31.909 1.060 1
1 830 . 4 1 1 A 84 84 ARG N N 84 127.552 120.228 7.324 1
1 831 . 4 1 1 A 85 85 LEU H H 85 10.121 9.303 0.818 1
1 832 . 4 1 1 A 85 85 LEU HA H 85 5.232 5.503 -0.271 1
1 842 . 4 1 1 A 85 85 LEU CA C 85 53.442 53.466 -0.024 1
1 843 . 4 1 1 A 85 85 LEU CB C 85 45.431 44.808 0.623 1
1 847 . 4 1 1 A 85 85 LEU N N 85 128.946 126.012 2.934 1
1 848 . 4 1 1 A 86 86 THR H H 86 9.594 9.048 0.546 1
1 849 . 4 1 1 A 86 86 THR HA H 86 5.081 4.928 0.153 1
1 854 . 4 1 1 A 86 86 THR CA C 86 63.525 62.446 1.079 1
1 855 . 4 1 1 A 86 86 THR CB C 86 68.690 69.416 -0.726 1
1 857 . 4 1 1 A 86 86 THR N N 86 121.842 120.534 1.308 1
1 858 . 4 1 1 A 87 87 ILE H H 87 10.109 9.048 1.061 1
1 859 . 4 1 1 A 87 87 ILE HA H 87 4.539 4.775 -0.236 1
1 869 . 4 1 1 A 87 87 ILE CA C 87 58.954 58.266 0.688 1
1 870 . 4 1 1 A 87 87 ILE CB C 87 40.704 38.696 2.008 1
1 874 . 4 1 1 A 87 87 ILE N N 87 129.512 128.316 1.196 1
1 875 . 4 1 1 A 88 88 PRO HA H 88 4.981 4.712 0.269 1
1 882 . 4 1 1 A 88 88 PRO CA C 88 61.675 61.864 -0.189 1
1 883 . 4 1 1 A 88 88 PRO CB C 88 30.917 32.640 -1.723 1
1 886 . 4 1 1 A 89 89 PRO HA H 89 4.439 4.306 0.133 1
1 893 . 4 1 1 A 89 89 PRO CA C 89 65.384 65.322 0.062 1
1 894 . 4 1 1 A 89 89 PRO CB C 89 30.913 32.082 -1.169 1
1 897 . 4 1 1 A 90 90 GLN H H 90 9.574 8.912 0.662 1
1 898 . 4 1 1 A 90 90 GLN HA H 90 4.296 4.194 0.102 1
1 905 . 4 1 1 A 90 90 GLN CA C 90 58.441 57.506 0.935 1
1 906 . 4 1 1 A 90 90 GLN CB C 90 26.402 27.391 -0.989 1
1 908 . 4 1 1 A 90 90 GLN N N 90 118.710 115.526 3.184 1
1 910 . 4 1 1 A 91 91 LEU H H 91 7.976 7.520 0.456 1
1 911 . 4 1 1 A 91 91 LEU HA H 91 4.636 4.598 0.038 1
1 921 . 4 1 1 A 91 91 LEU CA C 91 53.625 54.417 -0.792 1
1 922 . 4 1 1 A 91 91 LEU CB C 91 42.819 43.420 -0.601 1
1 926 . 4 1 1 A 91 91 LEU N N 91 119.302 118.575 0.727 1
1 927 . 4 1 1 A 92 92 GLY H H 92 7.717 7.948 -0.231 1
1 928 . 4 1 1 A 92 92 GLY HA2 H 92 3.258 4.156 -0.898 1
1 929 . 4 1 1 A 92 92 GLY HA3 H 92 4.121 4.220 -0.099 1
1 930 . 4 1 1 A 92 92 GLY CA C 92 45.183 45.793 -0.610 1
1 931 . 4 1 1 A 92 92 GLY N N 92 110.415 107.324 3.091 1
1 932 . 4 1 1 A 93 93 TYR H H 93 9.662 8.708 0.954 1
1 933 . 4 1 1 A 93 93 TYR HA H 93 4.513 4.175 0.338 1
1 940 . 4 1 1 A 93 93 TYR CA C 93 58.603 60.595 -1.992 1
1 941 . 4 1 1 A 93 93 TYR CB C 93 37.762 38.836 -1.074 1
1 942 . 4 1 1 A 93 93 TYR N N 93 126.998 122.472 4.526 1
1 943 . 4 1 1 A 94 94 GLY H H 94 8.467 7.885 0.582 1
1 944 . 4 1 1 A 94 94 GLY HA2 H 94 3.633 4.117 -0.484 1
1 945 . 4 1 1 A 94 94 GLY HA3 H 94 3.888 4.127 -0.239 1
1 946 . 4 1 1 A 94 94 GLY CA C 94 47.023 43.779 3.244 1
1 947 . 4 1 1 A 94 94 GLY N N 94 108.486 105.404 3.082 1
1 948 . 4 1 1 A 95 95 ALA H H 95 7.636 8.558 -0.922 1
1 949 . 4 1 1 A 95 95 ALA HA H 95 4.151 4.473 -0.322 1
1 953 . 4 1 1 A 95 95 ALA CA C 95 53.326 53.007 0.319 1
1 954 . 4 1 1 A 95 95 ALA CB C 95 18.831 18.886 -0.055 1
1 955 . 4 1 1 A 96 96 ARG H H 96 7.910 7.810 0.100 1
1 956 . 4 1 1 A 96 96 ARG HA H 96 4.227 4.250 -0.023 1
1 963 . 4 1 1 A 96 96 ARG CA C 96 57.514 56.419 1.095 1
1 964 . 4 1 1 A 96 96 ARG CB C 96 31.353 30.405 0.948 1
1 967 . 4 1 1 A 96 96 ARG N N 96 115.669 116.438 -0.769 1
1 968 . 4 1 1 A 97 97 GLY H H 97 6.917 7.926 -1.009 1
1 969 . 4 1 1 A 97 97 GLY HA2 H 97 3.272 4.060 -0.788 1
1 970 . 4 1 1 A 97 97 GLY HA3 H 97 3.908 4.098 -0.190 1
1 971 . 4 1 1 A 97 97 GLY CA C 97 44.693 44.919 -0.226 1
1 972 . 4 1 1 A 97 97 GLY N N 97 103.795 108.003 -4.208 1
1 973 . 4 1 1 A 98 98 ALA H H 98 8.187 8.579 -0.392 1
1 974 . 4 1 1 A 98 98 ALA HA H 98 4.287 4.545 -0.258 1
1 978 . 4 1 1 A 98 98 ALA CA C 98 52.717 52.962 -0.245 1
1 979 . 4 1 1 A 98 98 ALA CB C 98 20.563 21.802 -1.239 1
1 980 . 4 1 1 A 98 98 ALA N N 98 118.770 120.479 -1.709 1
1 981 . 4 1 1 A 99 99 GLY H H 99 8.904 8.195 0.709 1
1 982 . 4 1 1 A 99 99 GLY HA2 H 99 3.670 4.141 -0.471 1
1 983 . 4 1 1 A 99 99 GLY HA3 H 99 3.854 4.145 -0.291 1
1 984 . 4 1 1 A 99 99 GLY CA C 99 46.848 44.758 2.090 1
1 985 . 4 1 1 A 99 99 GLY N N 99 109.717 105.443 4.274 1
1 986 . 4 1 1 A 100 100 GLY H H 100 8.759 8.770 -0.011 1
1 987 . 4 1 1 A 100 100 GLY HA2 H 100 3.719 3.774 -0.055 1
1 988 . 4 1 1 A 100 100 GLY HA3 H 100 4.041 3.776 0.265 1
1 989 . 4 1 1 A 100 100 GLY CA C 100 45.655 46.866 -1.211 1
1 990 . 4 1 1 A 100 100 GLY N N 100 110.895 109.373 1.522 1
1 991 . 4 1 1 A 101 101 VAL H H 101 7.631 7.652 -0.021 1
1 992 . 4 1 1 A 101 101 VAL HA H 101 4.226 4.223 0.003 1
1 1000 . 4 1 1 A 101 101 VAL CA C 101 62.518 62.566 -0.048 1
1 1001 . 4 1 1 A 101 101 VAL CB C 101 34.660 32.051 2.609 1
1 1004 . 4 1 1 A 101 101 VAL N N 101 115.165 117.209 -2.044 1
1 1005 . 4 1 1 A 102 102 ILE H H 102 7.686 7.585 0.101 1
1 1006 . 4 1 1 A 102 102 ILE HA H 102 4.351 4.422 -0.071 1
1 1016 . 4 1 1 A 102 102 ILE CA C 102 57.498 58.018 -0.520 1
1 1017 . 4 1 1 A 102 102 ILE CB C 102 38.189 38.632 -0.443 1
1 1021 . 4 1 1 A 102 102 ILE N N 102 120.043 123.870 -3.827 1
1 1022 . 4 1 1 A 103 103 PRO HA H 103 4.727 4.709 0.018 1
1 1029 . 4 1 1 A 103 103 PRO CA C 103 61.614 61.713 -0.099 1
1 1030 . 4 1 1 A 103 103 PRO CB C 103 31.055 32.513 -1.458 1
1 1033 . 4 1 1 A 104 104 PRO HA H 104 3.778 4.453 -0.675 1
1 1040 . 4 1 1 A 104 104 PRO CA C 104 63.599 64.720 -1.121 1
1 1041 . 4 1 1 A 104 104 PRO CB C 104 33.183 31.738 1.445 1
1 1044 . 4 1 1 A 105 105 ASN H H 105 8.581 8.199 0.382 1
1 1045 . 4 1 1 A 105 105 ASN HA H 105 3.928 5.001 -1.073 1
1 1050 . 4 1 1 A 105 105 ASN CA C 105 54.447 52.614 1.833 1
1 1051 . 4 1 1 A 105 105 ASN CB C 105 37.280 38.815 -1.535 1
1 1052 . 4 1 1 A 105 105 ASN N N 105 117.269 114.871 2.398 1
1 1054 . 4 1 1 A 106 106 ALA H H 106 7.637 7.136 0.501 1
1 1055 . 4 1 1 A 106 106 ALA HA H 106 4.456 4.316 0.140 1
1 1059 . 4 1 1 A 106 106 ALA CA C 106 52.493 52.321 0.172 1
1 1060 . 4 1 1 A 106 106 ALA CB C 106 20.938 19.546 1.392 1
1 1061 . 4 1 1 A 106 106 ALA N N 106 121.257 121.344 -0.087 1
1 1062 . 4 1 1 A 107 107 THR H H 107 8.492 8.518 -0.026 1
1 1063 . 4 1 1 A 107 107 THR HA H 107 4.781 5.002 -0.221 1
1 1068 . 4 1 1 A 107 107 THR CA C 107 63.319 61.744 1.575 1
1 1069 . 4 1 1 A 107 107 THR CB C 107 69.430 70.709 -1.279 1
1 1071 . 4 1 1 A 107 107 THR N N 107 121.742 116.588 5.154 1
1 1072 . 4 1 1 A 108 108 LEU H H 108 8.900 8.672 0.228 1
1 1073 . 4 1 1 A 108 108 LEU HA H 108 5.132 5.099 0.033 1
1 1083 . 4 1 1 A 108 108 LEU CA C 108 52.950 53.551 -0.601 1
1 1084 . 4 1 1 A 108 108 LEU CB C 108 46.730 45.154 1.576 1
1 1088 . 4 1 1 A 108 108 LEU N N 108 125.279 125.271 0.008 1
1 1089 . 4 1 1 A 109 109 VAL H H 109 8.933 8.789 0.144 1
1 1090 . 4 1 1 A 109 109 VAL HA H 109 5.532 4.917 0.615 1
1 1098 . 4 1 1 A 109 109 VAL CA C 109 60.793 61.307 -0.514 1
1 1099 . 4 1 1 A 109 109 VAL CB C 109 34.138 33.573 0.565 1
1 1102 . 4 1 1 A 109 109 VAL N N 109 122.496 123.633 -1.137 1
1 1103 . 4 1 1 A 110 110 PHE H H 110 9.737 9.072 0.665 1
1 1104 . 4 1 1 A 110 110 PHE HA H 110 6.457 5.167 1.290 1
1 1112 . 4 1 1 A 110 110 PHE CA C 110 55.265 56.049 -0.784 1
1 1113 . 4 1 1 A 110 110 PHE CB C 110 44.818 43.117 1.701 1
1 1114 . 4 1 1 A 110 110 PHE N N 110 121.114 123.787 -2.673 1
1 1115 . 4 1 1 A 111 111 GLU H H 111 9.223 8.418 0.805 1
1 1116 . 4 1 1 A 111 111 GLU HA H 111 5.202 4.558 0.644 1
1 1121 . 4 1 1 A 111 111 GLU CA C 111 56.709 55.258 1.451 1
1 1122 . 4 1 1 A 111 111 GLU CB C 111 32.338 30.946 1.392 1
1 1124 . 4 1 1 A 111 111 GLU N N 111 122.210 123.292 -1.082 1
1 1125 . 4 1 1 A 112 112 VAL H H 112 9.269 8.761 0.508 1
1 1126 . 4 1 1 A 112 112 VAL HA H 112 4.796 4.680 0.116 1
1 1134 . 4 1 1 A 112 112 VAL CA C 112 61.127 61.452 -0.325 1
1 1135 . 4 1 1 A 112 112 VAL CB C 112 34.634 32.975 1.659 1
1 1136 . 4 1 1 A 112 112 VAL N N 112 126.195 126.660 -0.465 1
1 1137 . 4 1 1 A 113 113 GLU H H 113 9.545 9.102 0.443 1
1 1138 . 4 1 1 A 113 113 GLU HA H 113 5.483 5.257 0.226 1
1 1143 . 4 1 1 A 113 113 GLU CA C 113 53.159 54.728 -1.569 1
1 1144 . 4 1 1 A 113 113 GLU CB C 113 32.657 31.993 0.664 1
1 1146 . 4 1 1 A 113 113 GLU N N 113 128.111 124.734 3.377 1
1 1147 . 4 1 1 A 114 114 LEU H H 114 8.261 8.781 -0.520 1
1 1148 . 4 1 1 A 114 114 LEU HA H 114 4.634 4.552 0.082 1
1 1158 . 4 1 1 A 114 114 LEU CA C 114 55.217 55.249 -0.032 1
1 1159 . 4 1 1 A 114 114 LEU CB C 114 41.826 42.806 -0.980 1
1 1163 . 4 1 1 A 114 114 LEU N N 114 126.273 127.455 -1.182 1
1 1164 . 4 1 1 A 115 115 LEU H H 115 9.258 9.080 0.178 1
1 1165 . 4 1 1 A 115 115 LEU HA H 115 4.453 4.392 0.061 1
1 1175 . 4 1 1 A 115 115 LEU CA C 115 55.791 56.589 -0.798 1
1 1176 . 4 1 1 A 115 115 LEU CB C 115 42.897 42.501 0.396 1
1 1180 . 4 1 1 A 115 115 LEU N N 115 130.031 128.657 1.374 1
1 1181 . 4 1 1 A 116 116 ASP H H 116 7.748 7.552 0.196 1
1 1182 . 4 1 1 A 116 116 ASP HA H 116 4.672 4.891 -0.219 1
1 1185 . 4 1 1 A 116 116 ASP CA C 116 54.385 53.378 1.007 1
1 1186 . 4 1 1 A 116 116 ASP CB C 116 43.828 44.319 -0.491 1
1 1187 . 4 1 1 A 116 116 ASP N N 116 115.338 114.240 1.098 1
1 1 . 5 1 1 A 3 3 GLY H H 3 8.684 8.004 0.680 1
1 2 . 5 1 1 A 3 3 GLY HA2 H 3 3.959 4.396 -0.437 1
1 3 . 5 1 1 A 3 3 GLY HA3 H 3 3.959 4.398 -0.439 1
1 4 . 5 1 1 A 3 3 GLY N N 3 110.167 110.874 -0.707 1
1 5 . 5 1 1 A 4 4 SER H H 4 8.315 9.156 -0.841 1
1 6 . 5 1 1 A 4 4 SER HA H 4 4.468 4.993 -0.525 1
1 9 . 5 1 1 A 4 4 SER CA C 4 58.355 58.006 0.349 1
1 10 . 5 1 1 A 4 4 SER N N 4 115.851 120.497 -4.646 1
1 11 . 5 1 1 A 5 5 MET H H 5 8.640 8.393 0.247 1
1 12 . 5 1 1 A 5 5 MET HA H 5 4.554 4.693 -0.139 1
1 17 . 5 1 1 A 5 5 MET CA C 5 55.754 54.303 1.451 1
1 18 . 5 1 1 A 5 5 MET CB C 5 32.870 31.035 1.835 1
1 20 . 5 1 1 A 5 5 MET N N 5 122.413 125.772 -3.359 1
1 21 . 5 1 1 A 6 6 THR H H 6 8.265 8.561 -0.296 1
1 22 . 5 1 1 A 6 6 THR HA H 6 4.296 5.181 -0.885 1
1 27 . 5 1 1 A 6 6 THR CA C 6 62.224 60.179 2.045 1
1 28 . 5 1 1 A 6 6 THR CB C 6 69.806 71.186 -1.380 1
1 30 . 5 1 1 A 6 6 THR N N 6 116.270 119.775 -3.505 1
1 31 . 5 1 1 A 7 7 VAL H H 7 8.068 9.149 -1.081 1
1 32 . 5 1 1 A 7 7 VAL HA H 7 4.200 4.577 -0.377 1
1 40 . 5 1 1 A 7 7 VAL CA C 7 62.021 60.636 1.385 1
1 41 . 5 1 1 A 7 7 VAL CB C 7 32.773 36.084 -3.311 1
1 44 . 5 1 1 A 7 7 VAL N N 7 124.632 128.035 -3.403 1
1 45 . 5 1 1 A 8 8 VAL H H 8 8.985 8.156 0.829 1
1 46 . 5 1 1 A 8 8 VAL HA H 8 3.872 4.451 -0.579 1
1 54 . 5 1 1 A 8 8 VAL CA C 8 61.848 61.249 0.599 1
1 55 . 5 1 1 A 8 8 VAL CB C 8 33.157 32.566 0.591 1
1 58 . 5 1 1 A 8 8 VAL N N 8 132.503 126.994 5.509 1
1 59 . 5 1 1 A 9 9 THR H H 9 8.213 8.862 -0.649 1
1 60 . 5 1 1 A 9 9 THR HA H 9 5.250 4.917 0.333 1
1 65 . 5 1 1 A 9 9 THR CA C 9 61.040 61.610 -0.570 1
1 66 . 5 1 1 A 9 9 THR CB C 9 69.773 70.531 -0.758 1
1 68 . 5 1 1 A 9 9 THR N N 9 121.386 123.054 -1.668 1
1 69 . 5 1 1 A 10 10 THR H H 10 9.318 8.705 0.613 1
1 70 . 5 1 1 A 10 10 THR HA H 10 4.693 4.788 -0.095 1
1 75 . 5 1 1 A 10 10 THR CA C 10 60.077 60.606 -0.529 1
1 76 . 5 1 1 A 10 10 THR CB C 10 70.131 71.788 -1.657 1
1 78 . 5 1 1 A 10 10 THR N N 10 119.882 117.034 2.848 1
1 79 . 5 1 1 A 11 11 GLU H H 11 9.051 9.037 0.014 1
1 80 . 5 1 1 A 11 11 GLU HA H 11 4.028 4.128 -0.100 1
1 85 . 5 1 1 A 11 11 GLU CA C 11 59.072 58.757 0.315 1
1 86 . 5 1 1 A 11 11 GLU CB C 11 29.516 29.199 0.317 1
1 88 . 5 1 1 A 11 11 GLU N N 11 120.586 120.658 -0.072 1
1 89 . 5 1 1 A 12 12 SER H H 12 8.445 7.835 0.610 1
1 90 . 5 1 1 A 12 12 SER HA H 12 4.302 4.503 -0.201 1
1 93 . 5 1 1 A 12 12 SER CA C 12 58.483 59.341 -0.858 1
1 94 . 5 1 1 A 12 12 SER CB C 12 63.034 64.322 -1.288 1
1 95 . 5 1 1 A 12 12 SER N N 12 114.574 115.194 -0.620 1
1 96 . 5 1 1 A 13 13 GLY H H 13 7.798 7.616 0.182 1
1 97 . 5 1 1 A 13 13 GLY HA2 H 13 3.425 4.067 -0.642 1
1 98 . 5 1 1 A 13 13 GLY HA3 H 13 4.401 4.067 0.334 1
1 99 . 5 1 1 A 13 13 GLY CA C 13 44.276 45.481 -1.205 1
1 100 . 5 1 1 A 13 13 GLY N N 13 109.024 108.425 0.599 1
1 101 . 5 1 1 A 14 14 LEU H H 14 7.501 7.888 -0.387 1
1 102 . 5 1 1 A 14 14 LEU HA H 14 3.967 4.481 -0.514 1
1 112 . 5 1 1 A 14 14 LEU CA C 14 56.343 55.953 0.390 1
1 113 . 5 1 1 A 14 14 LEU CB C 14 41.856 42.864 -1.008 1
1 117 . 5 1 1 A 14 14 LEU N N 14 123.870 123.474 0.396 1
1 118 . 5 1 1 A 15 15 LYS H H 15 7.812 8.472 -0.660 1
1 119 . 5 1 1 A 15 15 LYS HA H 15 5.942 5.221 0.721 1
1 127 . 5 1 1 A 15 15 LYS CA C 15 54.052 54.364 -0.312 1
1 128 . 5 1 1 A 15 15 LYS CB C 15 36.289 35.649 0.640 1
1 132 . 5 1 1 A 15 15 LYS N N 15 123.667 125.247 -1.580 1
1 133 . 5 1 1 A 16 16 TYR H H 16 9.289 8.823 0.466 1
1 134 . 5 1 1 A 16 16 TYR HA H 16 5.996 5.602 0.394 1
1 141 . 5 1 1 A 16 16 TYR CA C 16 55.784 56.301 -0.517 1
1 142 . 5 1 1 A 16 16 TYR CB C 16 43.297 42.153 1.144 1
1 143 . 5 1 1 A 16 16 TYR N N 16 117.890 117.675 0.215 1
1 144 . 5 1 1 A 17 17 GLU H H 17 8.728 8.970 -0.242 1
1 145 . 5 1 1 A 17 17 GLU HA H 17 4.860 4.853 0.007 1
1 150 . 5 1 1 A 17 17 GLU CA C 17 54.072 54.874 -0.802 1
1 151 . 5 1 1 A 17 17 GLU CB C 17 35.222 33.523 1.699 1
1 152 . 5 1 1 A 17 17 GLU N N 17 118.386 120.978 -2.592 1
1 153 . 5 1 1 A 18 18 ASP H H 18 9.596 9.066 0.530 1
1 154 . 5 1 1 A 18 18 ASP HA H 18 5.296 4.702 0.594 1
1 157 . 5 1 1 A 18 18 ASP CA C 18 55.695 55.083 0.612 1
1 158 . 5 1 1 A 18 18 ASP CB C 18 40.940 41.184 -0.244 1
1 159 . 5 1 1 A 18 18 ASP N N 18 127.059 127.542 -0.483 1
1 160 . 5 1 1 A 19 19 LEU H H 19 8.609 9.048 -0.439 1
1 161 . 5 1 1 A 19 19 LEU HA H 19 4.275 4.593 -0.318 1
1 171 . 5 1 1 A 19 19 LEU CA C 19 56.923 55.926 0.997 1
1 172 . 5 1 1 A 19 19 LEU CB C 19 41.074 43.974 -2.900 1
1 176 . 5 1 1 A 19 19 LEU N N 19 128.620 124.586 4.034 1
1 177 . 5 1 1 A 20 20 THR H H 20 8.136 8.067 0.069 1
1 178 . 5 1 1 A 20 20 THR HA H 20 4.400 4.807 -0.407 1
1 183 . 5 1 1 A 20 20 THR CA C 20 61.835 61.490 0.345 1
1 184 . 5 1 1 A 20 20 THR CB C 20 72.411 71.388 1.023 1
1 186 . 5 1 1 A 20 20 THR N N 20 112.473 111.924 0.549 1
1 187 . 5 1 1 A 21 21 GLU H H 21 9.354 8.697 0.657 1
1 188 . 5 1 1 A 21 21 GLU HA H 21 4.370 4.291 0.079 1
1 193 . 5 1 1 A 21 21 GLU CA C 21 56.277 56.255 0.022 1
1 194 . 5 1 1 A 21 21 GLU CB C 21 30.368 30.329 0.039 1
1 196 . 5 1 1 A 21 21 GLU N N 21 130.043 126.928 3.115 1
1 197 . 5 1 1 A 22 22 GLY H H 22 9.071 8.422 0.649 1
1 198 . 5 1 1 A 22 22 GLY HA2 H 22 3.446 4.205 -0.759 1
1 199 . 5 1 1 A 22 22 GLY HA3 H 22 3.742 4.205 -0.463 1
1 200 . 5 1 1 A 22 22 GLY CA C 22 45.343 45.491 -0.148 1
1 201 . 5 1 1 A 22 22 GLY N N 22 113.930 108.162 5.768 1
1 202 . 5 1 1 A 23 23 SER H H 23 8.040 8.933 -0.893 1
1 203 . 5 1 1 A 23 23 SER HA H 23 4.671 4.445 0.226 1
1 206 . 5 1 1 A 23 23 SER CA C 23 57.488 57.598 -0.110 1
1 207 . 5 1 1 A 23 23 SER CB C 23 65.069 62.017 3.052 1
1 208 . 5 1 1 A 23 23 SER N N 23 111.747 120.095 -8.348 1
1 209 . 5 1 1 A 24 24 GLY H H 24 8.418 8.368 0.050 1
1 210 . 5 1 1 A 24 24 GLY HA2 H 24 3.693 4.041 -0.348 1
1 211 . 5 1 1 A 24 24 GLY HA3 H 24 4.328 4.042 0.286 1
1 212 . 5 1 1 A 24 24 GLY CA C 24 44.138 44.687 -0.549 1
1 213 . 5 1 1 A 24 24 GLY N N 24 111.391 113.474 -2.083 1
1 214 . 5 1 1 A 25 25 ALA H H 25 8.342 8.318 0.024 1
1 215 . 5 1 1 A 25 25 ALA HA H 25 4.061 5.161 -1.100 1
1 219 . 5 1 1 A 25 25 ALA CA C 25 52.551 50.941 1.610 1
1 220 . 5 1 1 A 25 25 ALA CB C 25 19.752 22.718 -2.966 1
1 221 . 5 1 1 A 25 25 ALA N N 25 123.675 124.907 -1.232 1
1 222 . 5 1 1 A 26 26 GLU H H 26 8.194 8.537 -0.343 1
1 223 . 5 1 1 A 26 26 GLU HA H 26 4.498 4.667 -0.169 1
1 228 . 5 1 1 A 26 26 GLU CA C 26 55.174 56.738 -1.564 1
1 229 . 5 1 1 A 26 26 GLU CB C 26 31.906 30.069 1.837 1
1 231 . 5 1 1 A 26 26 GLU N N 26 119.186 122.662 -3.476 1
1 232 . 5 1 1 A 27 27 ALA H H 27 8.930 8.141 0.789 1
1 233 . 5 1 1 A 27 27 ALA HA H 27 4.527 4.244 0.283 1
1 237 . 5 1 1 A 27 27 ALA CA C 27 51.815 52.929 -1.114 1
1 238 . 5 1 1 A 27 27 ALA CB C 27 19.057 19.136 -0.079 1
1 239 . 5 1 1 A 27 27 ALA N N 27 127.513 127.497 0.016 1
1 240 . 5 1 1 A 28 28 ARG H H 28 8.348 8.804 -0.456 1
1 241 . 5 1 1 A 28 28 ARG HA H 28 4.563 4.882 -0.319 1
1 246 . 5 1 1 A 28 28 ARG CA C 28 53.584 54.124 -0.540 1
1 247 . 5 1 1 A 28 28 ARG CB C 28 33.571 33.727 -0.156 1
1 250 . 5 1 1 A 28 28 ARG N N 28 124.054 121.651 2.403 1
1 251 . 5 1 1 A 29 29 ALA H H 29 8.387 8.653 -0.266 1
1 252 . 5 1 1 A 29 29 ALA HA H 29 3.594 3.919 -0.325 1
1 256 . 5 1 1 A 29 29 ALA CA C 29 53.535 53.902 -0.367 1
1 257 . 5 1 1 A 29 29 ALA CB C 29 17.781 18.416 -0.635 1
1 258 . 5 1 1 A 29 29 ALA N N 29 122.289 126.119 -3.830 1
1 259 . 5 1 1 A 30 30 GLY H H 30 9.043 9.000 0.043 1
1 260 . 5 1 1 A 30 30 GLY HA2 H 30 3.451 4.008 -0.557 1
1 261 . 5 1 1 A 30 30 GLY HA3 H 30 4.378 4.010 0.368 1
1 262 . 5 1 1 A 30 30 GLY CA C 30 44.562 45.073 -0.511 1
1 263 . 5 1 1 A 30 30 GLY N N 30 110.956 111.100 -0.144 1
1 264 . 5 1 1 A 31 31 GLN H H 31 7.620 7.620 0.000 1
1 265 . 5 1 1 A 31 31 GLN HA H 31 4.343 4.592 -0.249 1
1 272 . 5 1 1 A 31 31 GLN CA C 31 55.410 54.929 0.481 1
1 273 . 5 1 1 A 31 31 GLN CB C 31 30.151 30.408 -0.257 1
1 275 . 5 1 1 A 31 31 GLN N N 31 119.756 118.794 0.962 1
1 277 . 5 1 1 A 32 32 THR H H 32 8.793 8.570 0.223 1
1 278 . 5 1 1 A 32 32 THR HA H 32 4.463 4.853 -0.390 1
1 283 . 5 1 1 A 32 32 THR CA C 32 63.072 62.231 0.841 1
1 284 . 5 1 1 A 32 32 THR CB C 32 68.380 69.870 -1.490 1
1 286 . 5 1 1 A 32 32 THR N N 32 119.718 118.335 1.383 1
1 287 . 5 1 1 A 33 33 VAL H H 33 8.393 8.820 -0.427 1
1 288 . 5 1 1 A 33 33 VAL HA H 33 4.712 5.001 -0.289 1
1 296 . 5 1 1 A 33 33 VAL CA C 33 58.274 58.982 -0.708 1
1 297 . 5 1 1 A 33 33 VAL CB C 33 33.309 36.061 -2.752 1
1 300 . 5 1 1 A 33 33 VAL N N 33 120.513 120.055 0.458 1
1 301 . 5 1 1 A 34 34 SER H H 34 7.865 8.931 -1.066 1
1 302 . 5 1 1 A 34 34 SER HA H 34 5.262 5.182 0.080 1
1 305 . 5 1 1 A 34 34 SER CA C 34 56.443 57.892 -1.449 1
1 306 . 5 1 1 A 34 34 SER CB C 34 64.882 64.306 0.576 1
1 307 . 5 1 1 A 34 34 SER N N 34 113.652 119.173 -5.521 1
1 308 . 5 1 1 A 35 35 VAL H H 35 9.531 9.232 0.299 1
1 309 . 5 1 1 A 35 35 VAL HA H 35 5.715 5.072 0.643 1
1 317 . 5 1 1 A 35 35 VAL CA C 35 58.226 59.009 -0.783 1
1 318 . 5 1 1 A 35 35 VAL CB C 35 35.412 36.176 -0.764 1
1 321 . 5 1 1 A 35 35 VAL N N 35 117.985 119.679 -1.694 1
1 322 . 5 1 1 A 36 36 HIS H H 36 8.812 9.055 -0.243 1
1 323 . 5 1 1 A 36 36 HIS HA H 36 5.784 5.588 0.196 1
1 328 . 5 1 1 A 36 36 HIS CA C 36 54.671 53.926 0.745 1
1 329 . 5 1 1 A 36 36 HIS CB C 36 35.786 32.168 3.618 1
1 330 . 5 1 1 A 36 36 HIS N N 36 118.227 120.149 -1.922 1
1 331 . 5 1 1 A 37 37 TYR H H 37 9.680 8.757 0.923 1
1 332 . 5 1 1 A 37 37 TYR HA H 37 6.201 5.947 0.254 1
1 339 . 5 1 1 A 37 37 TYR CA C 37 56.280 55.163 1.117 1
1 340 . 5 1 1 A 37 37 TYR CB C 37 43.791 41.431 2.360 1
1 341 . 5 1 1 A 37 37 TYR N N 37 116.878 119.625 -2.747 1
1 342 . 5 1 1 A 38 38 THR H H 38 8.478 8.762 -0.284 1
1 343 . 5 1 1 A 38 38 THR HA H 38 4.374 4.696 -0.322 1
1 348 . 5 1 1 A 38 38 THR CA C 38 62.692 59.985 2.707 1
1 349 . 5 1 1 A 38 38 THR CB C 38 71.675 70.879 0.796 1
1 351 . 5 1 1 A 38 38 THR N N 38 117.172 117.516 -0.344 1
1 352 . 5 1 1 A 39 39 GLY H H 39 8.332 8.710 -0.378 1
1 353 . 5 1 1 A 39 39 GLY HA2 H 39 1.943 2.048 -0.105 1
1 354 . 5 1 1 A 39 39 GLY HA3 H 39 4.624 2.823 1.801 1
1 355 . 5 1 1 A 39 39 GLY CA C 39 44.767 43.510 1.257 1
1 356 . 5 1 1 A 39 39 GLY N N 39 113.042 112.893 0.149 1
1 357 . 5 1 1 A 40 40 TRP H H 40 9.669 8.581 1.088 1
1 358 . 5 1 1 A 40 40 TRP HA H 40 5.499 5.281 0.218 1
1 366 . 5 1 1 A 40 40 TRP CA C 40 57.026 56.033 0.993 1
1 367 . 5 1 1 A 40 40 TRP CB C 40 34.177 33.678 0.499 1
1 368 . 5 1 1 A 40 40 TRP N N 40 123.550 125.569 -2.019 1
1 370 . 5 1 1 A 41 41 LEU H H 41 8.699 9.070 -0.371 1
1 371 . 5 1 1 A 41 41 LEU HA H 41 5.056 4.935 0.121 1
1 381 . 5 1 1 A 41 41 LEU CA C 41 54.040 53.698 0.342 1
1 382 . 5 1 1 A 41 41 LEU CB C 41 41.981 43.339 -1.358 1
1 386 . 5 1 1 A 41 41 LEU N N 41 119.318 122.555 -3.237 1
1 387 . 5 1 1 A 42 42 THR H H 42 9.418 8.933 0.485 1
1 388 . 5 1 1 A 42 42 THR HA H 42 3.962 4.022 -0.060 1
1 393 . 5 1 1 A 42 42 THR CA C 42 65.117 65.314 -0.197 1
1 394 . 5 1 1 A 42 42 THR CB C 42 68.693 68.331 0.362 1
1 396 . 5 1 1 A 42 42 THR N N 42 112.465 116.733 -4.268 1
1 397 . 5 1 1 A 43 43 ASP H H 43 7.690 8.046 -0.356 1
1 398 . 5 1 1 A 43 43 ASP HA H 43 4.538 4.629 -0.091 1
1 401 . 5 1 1 A 43 43 ASP CA C 43 53.655 54.139 -0.484 1
1 402 . 5 1 1 A 43 43 ASP CB C 43 40.109 41.196 -1.087 1
1 403 . 5 1 1 A 43 43 ASP N N 43 118.952 119.945 -0.993 1
1 404 . 5 1 1 A 44 44 GLY H H 44 8.043 8.185 -0.142 1
1 405 . 5 1 1 A 44 44 GLY HA2 H 44 3.521 3.923 -0.402 1
1 406 . 5 1 1 A 44 44 GLY HA3 H 44 4.318 3.934 0.384 1
1 407 . 5 1 1 A 44 44 GLY CA C 44 44.869 44.953 -0.084 1
1 408 . 5 1 1 A 44 44 GLY N N 44 107.790 106.018 1.772 1
1 409 . 5 1 1 A 45 45 GLN H H 45 8.355 7.945 0.410 1
1 410 . 5 1 1 A 45 45 GLN HA H 45 4.319 4.459 -0.140 1
1 417 . 5 1 1 A 45 45 GLN CA C 45 56.909 55.065 1.844 1
1 418 . 5 1 1 A 45 45 GLN CB C 45 29.837 29.727 0.110 1
1 420 . 5 1 1 A 45 45 GLN N N 45 121.541 121.689 -0.148 1
1 422 . 5 1 1 A 46 46 LYS H H 46 8.915 8.579 0.336 1
1 423 . 5 1 1 A 46 46 LYS HA H 46 4.454 4.824 -0.370 1
1 432 . 5 1 1 A 46 46 LYS CA C 46 55.782 55.796 -0.014 1
1 433 . 5 1 1 A 46 46 LYS CB C 46 33.097 33.275 -0.178 1
1 437 . 5 1 1 A 46 46 LYS N N 46 129.310 127.022 2.288 1
1 438 . 5 1 1 A 47 47 PHE H H 47 8.440 8.590 -0.150 1
1 439 . 5 1 1 A 47 47 PHE HA H 47 5.103 4.931 0.172 1
1 447 . 5 1 1 A 47 47 PHE CA C 47 56.272 57.004 -0.732 1
1 448 . 5 1 1 A 47 47 PHE CB C 47 41.094 40.635 0.459 1
1 449 . 5 1 1 A 47 47 PHE N N 47 122.874 122.194 0.680 1
1 450 . 5 1 1 A 48 48 ASP H H 48 6.744 6.872 -0.128 1
1 451 . 5 1 1 A 48 48 ASP HA H 48 4.790 5.079 -0.289 1
1 454 . 5 1 1 A 48 48 ASP CA C 48 54.518 52.681 1.837 1
1 455 . 5 1 1 A 48 48 ASP CB C 48 43.929 43.407 0.522 1
1 456 . 5 1 1 A 48 48 ASP N N 48 118.152 120.336 -2.184 1
1 457 . 5 1 1 A 49 49 SER H H 49 8.122 8.402 -0.280 1
1 458 . 5 1 1 A 49 49 SER HA H 49 4.608 5.016 -0.408 1
1 461 . 5 1 1 A 49 49 SER CA C 49 56.963 56.492 0.471 1
1 462 . 5 1 1 A 49 49 SER CB C 49 64.699 66.077 -1.378 1
1 463 . 5 1 1 A 49 49 SER N N 49 117.585 120.711 -3.126 1
1 464 . 5 1 1 A 50 50 SER H H 50 8.020 9.030 -1.010 1
1 465 . 5 1 1 A 50 50 SER HA H 50 4.045 4.008 0.037 1
1 468 . 5 1 1 A 50 50 SER CA C 50 61.482 61.220 0.262 1
1 469 . 5 1 1 A 50 50 SER CB C 50 61.488 62.819 -1.331 1
1 470 . 5 1 1 A 50 50 SER N N 50 124.801 119.973 4.828 1
1 471 . 5 1 1 A 51 51 LYS H H 51 7.730 8.338 -0.608 1
1 472 . 5 1 1 A 51 51 LYS HA H 51 3.505 4.070 -0.565 1
1 481 . 5 1 1 A 51 51 LYS CA C 51 58.921 59.059 -0.138 1
1 482 . 5 1 1 A 51 51 LYS CB C 51 31.346 31.534 -0.188 1
1 486 . 5 1 1 A 51 51 LYS N N 51 124.103 119.934 4.169 1
1 487 . 5 1 1 A 52 52 ASP H H 52 7.324 8.157 -0.833 1
1 488 . 5 1 1 A 52 52 ASP HA H 52 4.284 4.321 -0.037 1
1 491 . 5 1 1 A 52 52 ASP CA C 52 56.524 57.295 -0.771 1
1 492 . 5 1 1 A 52 52 ASP CB C 52 40.201 40.322 -0.121 1
1 493 . 5 1 1 A 52 52 ASP N N 52 118.971 120.013 -1.042 1
1 494 . 5 1 1 A 53 53 ARG H H 53 6.923 7.678 -0.755 1
1 495 . 5 1 1 A 53 53 ARG HA H 53 4.461 4.338 0.123 1
1 502 . 5 1 1 A 53 53 ARG CA C 53 55.597 57.809 -2.212 1
1 503 . 5 1 1 A 53 53 ARG CB C 53 31.289 31.221 0.068 1
1 506 . 5 1 1 A 53 53 ARG N N 53 114.803 118.083 -3.280 1
1 507 . 5 1 1 A 54 54 ASN H H 54 7.827 8.062 -0.235 1
1 508 . 5 1 1 A 54 54 ASN HA H 54 4.352 4.397 -0.045 1
1 513 . 5 1 1 A 54 54 ASN CA C 54 54.339 54.159 0.180 1
1 514 . 5 1 1 A 54 54 ASN CB C 54 37.849 37.172 0.677 1
1 515 . 5 1 1 A 54 54 ASN N N 54 117.421 117.927 -0.506 1
1 517 . 5 1 1 A 55 55 ASP H H 55 7.580 7.876 -0.296 1
1 518 . 5 1 1 A 55 55 ASP HA H 55 5.360 5.006 0.354 1
1 521 . 5 1 1 A 55 55 ASP CA C 55 51.697 51.695 0.002 1
1 522 . 5 1 1 A 55 55 ASP CB C 55 43.377 44.075 -0.698 1
1 523 . 5 1 1 A 55 55 ASP N N 55 115.802 119.168 -3.366 1
1 524 . 5 1 1 A 56 56 PRO HA H 56 4.022 3.715 0.307 1
1 531 . 5 1 1 A 56 56 PRO CA C 56 63.115 62.294 0.821 1
1 532 . 5 1 1 A 56 56 PRO CB C 56 32.348 32.157 0.191 1
1 535 . 5 1 1 A 57 57 PHE H H 57 9.207 8.533 0.674 1
1 536 . 5 1 1 A 57 57 PHE HA H 57 4.874 4.718 0.156 1
1 544 . 5 1 1 A 57 57 PHE CA C 57 57.290 57.728 -0.438 1
1 545 . 5 1 1 A 57 57 PHE CB C 57 42.517 39.469 3.048 1
1 546 . 5 1 1 A 57 57 PHE N N 57 124.509 123.105 1.404 1
1 547 . 5 1 1 A 58 58 ALA H H 58 7.942 8.816 -0.874 1
1 548 . 5 1 1 A 58 58 ALA HA H 58 5.928 5.472 0.456 1
1 552 . 5 1 1 A 58 58 ALA CA C 58 49.705 50.308 -0.603 1
1 553 . 5 1 1 A 58 58 ALA CB C 58 21.621 21.594 0.027 1
1 554 . 5 1 1 A 58 58 ALA N N 58 130.661 129.522 1.139 1
1 555 . 5 1 1 A 59 59 PHE H H 59 8.455 8.599 -0.144 1
1 556 . 5 1 1 A 59 59 PHE HA H 59 4.660 5.018 -0.358 1
1 564 . 5 1 1 A 59 59 PHE CA C 59 55.610 55.975 -0.365 1
1 565 . 5 1 1 A 59 59 PHE CB C 59 40.857 40.613 0.244 1
1 566 . 5 1 1 A 59 59 PHE N N 59 114.967 117.213 -2.246 1
1 567 . 5 1 1 A 60 60 VAL H H 60 8.168 8.821 -0.653 1
1 568 . 5 1 1 A 60 60 VAL HA H 60 4.084 4.563 -0.479 1
1 576 . 5 1 1 A 60 60 VAL CA C 60 61.907 61.750 0.157 1
1 577 . 5 1 1 A 60 60 VAL CB C 60 31.564 32.591 -1.027 1
1 580 . 5 1 1 A 60 60 VAL N N 60 120.308 119.537 0.771 1
1 581 . 5 1 1 A 61 61 LEU H H 61 8.900 8.348 0.552 1
1 582 . 5 1 1 A 61 61 LEU HA H 61 4.248 3.953 0.295 1
1 592 . 5 1 1 A 61 61 LEU CA C 61 56.558 56.288 0.270 1
1 593 . 5 1 1 A 61 61 LEU CB C 61 41.736 41.719 0.017 1
1 597 . 5 1 1 A 61 61 LEU N N 61 134.513 129.215 5.298 1
1 598 . 5 1 1 A 62 62 GLY H H 62 9.652 8.721 0.931 1
1 599 . 5 1 1 A 62 62 GLY HA2 H 62 3.558 3.882 -0.324 1
1 600 . 5 1 1 A 62 62 GLY HA3 H 62 4.154 3.915 0.239 1
1 601 . 5 1 1 A 62 62 GLY CA C 62 45.721 46.767 -1.046 1
1 602 . 5 1 1 A 62 62 GLY N N 62 119.352 114.364 4.988 1
1 603 . 5 1 1 A 63 63 GLY H H 63 8.338 8.016 0.322 1
1 604 . 5 1 1 A 63 63 GLY HA2 H 63 3.557 4.189 -0.632 1
1 605 . 5 1 1 A 63 63 GLY HA3 H 63 4.298 4.190 0.108 1
1 606 . 5 1 1 A 63 63 GLY CA C 63 45.442 45.686 -0.244 1
1 607 . 5 1 1 A 63 63 GLY N N 63 107.002 105.615 1.387 1
1 608 . 5 1 1 A 64 64 GLY H H 64 9.301 8.051 1.250 1
1 609 . 5 1 1 A 64 64 GLY HA2 H 64 4.057 4.192 -0.135 1
1 610 . 5 1 1 A 64 64 GLY HA3 H 64 4.057 4.240 -0.183 1
1 611 . 5 1 1 A 64 64 GLY CA C 64 46.425 45.873 0.552 1
1 612 . 5 1 1 A 64 64 GLY N N 64 112.092 108.151 3.941 1
1 613 . 5 1 1 A 65 65 MET H H 65 9.574 8.494 1.080 1
1 614 . 5 1 1 A 65 65 MET HA H 65 4.546 4.803 -0.257 1
1 619 . 5 1 1 A 65 65 MET CA C 65 55.641 54.290 1.351 1
1 620 . 5 1 1 A 65 65 MET CB C 65 33.268 33.275 -0.007 1
1 622 . 5 1 1 A 65 65 MET N N 65 118.659 120.675 -2.016 1
1 623 . 5 1 1 A 66 66 VAL H H 66 6.867 8.254 -1.387 1
1 624 . 5 1 1 A 66 66 VAL HA H 66 4.454 4.629 -0.175 1
1 632 . 5 1 1 A 66 66 VAL CA C 66 57.545 58.857 -1.312 1
1 633 . 5 1 1 A 66 66 VAL CB C 66 35.736 35.174 0.562 1
1 636 . 5 1 1 A 66 66 VAL N N 66 108.649 116.886 -8.237 1
1 637 . 5 1 1 A 67 67 ILE H H 67 7.158 7.557 -0.399 1
1 638 . 5 1 1 A 67 67 ILE HA H 67 3.894 4.139 -0.245 1
1 648 . 5 1 1 A 67 67 ILE CA C 67 62.065 61.359 0.706 1
1 649 . 5 1 1 A 67 67 ILE CB C 67 37.130 38.816 -1.686 1
1 653 . 5 1 1 A 67 67 ILE N N 67 111.614 116.102 -4.488 1
1 654 . 5 1 1 A 68 68 LYS H H 68 9.182 8.935 0.247 1
1 655 . 5 1 1 A 68 68 LYS HA H 68 4.241 3.949 0.292 1
1 664 . 5 1 1 A 68 68 LYS CA C 68 60.042 59.551 0.491 1
1 665 . 5 1 1 A 68 68 LYS CB C 68 33.366 32.230 1.136 1
1 669 . 5 1 1 A 68 68 LYS N N 68 125.685 123.516 2.169 1
1 670 . 5 1 1 A 69 69 GLY H H 69 9.653 8.310 1.343 1
1 671 . 5 1 1 A 69 69 GLY HA2 H 69 3.595 3.793 -0.198 1
1 672 . 5 1 1 A 69 69 GLY HA3 H 69 3.971 3.812 0.159 1
1 673 . 5 1 1 A 69 69 GLY CA C 69 47.597 47.384 0.213 1
1 674 . 5 1 1 A 69 69 GLY N N 69 102.438 106.847 -4.409 1
1 675 . 5 1 1 A 70 70 TRP H H 70 7.745 7.866 -0.121 1
1 676 . 5 1 1 A 70 70 TRP HA H 70 4.152 4.597 -0.445 1
1 684 . 5 1 1 A 70 70 TRP CA C 70 60.737 60.316 0.421 1
1 685 . 5 1 1 A 70 70 TRP CB C 70 29.185 28.328 0.857 1
1 686 . 5 1 1 A 70 70 TRP N N 70 120.118 121.351 -1.233 1
1 687 . 5 1 1 A 71 71 ASP H H 71 7.058 8.405 -1.347 1
1 688 . 5 1 1 A 71 71 ASP HA H 71 4.878 4.426 0.452 1
1 691 . 5 1 1 A 71 71 ASP CA C 71 57.165 57.761 -0.596 1
1 692 . 5 1 1 A 71 71 ASP CB C 71 40.749 42.072 -1.323 1
1 693 . 5 1 1 A 71 71 ASP N N 71 120.287 119.388 0.899 1
1 694 . 5 1 1 A 72 72 GLU H H 72 7.856 8.731 -0.875 1
1 695 . 5 1 1 A 72 72 GLU HA H 72 4.120 4.056 0.064 1
1 700 . 5 1 1 A 72 72 GLU CA C 72 58.236 59.478 -1.242 1
1 701 . 5 1 1 A 72 72 GLU CB C 72 30.409 29.226 1.183 1
1 703 . 5 1 1 A 72 72 GLU N N 72 114.126 118.552 -4.426 1
1 704 . 5 1 1 A 73 73 GLY H H 73 7.732 8.081 -0.349 1
1 705 . 5 1 1 A 73 73 GLY HA2 H 73 3.565 3.649 -0.084 1
1 706 . 5 1 1 A 73 73 GLY HA3 H 73 3.565 3.653 -0.088 1
1 707 . 5 1 1 A 73 73 GLY CA C 73 47.427 47.244 0.183 1
1 708 . 5 1 1 A 73 73 GLY N N 73 104.848 107.972 -3.124 1
1 709 . 5 1 1 A 74 74 VAL H H 74 8.138 8.347 -0.209 1
1 710 . 5 1 1 A 74 74 VAL HA H 74 3.630 3.772 -0.142 1
1 718 . 5 1 1 A 74 74 VAL CA C 74 63.679 65.899 -2.220 1
1 719 . 5 1 1 A 74 74 VAL CB C 74 31.206 31.375 -0.169 1
1 722 . 5 1 1 A 74 74 VAL N N 74 117.660 121.923 -4.263 1
1 723 . 5 1 1 A 75 75 GLN H H 75 6.431 8.008 -1.577 1
1 724 . 5 1 1 A 75 75 GLN HA H 75 3.598 4.358 -0.760 1
1 731 . 5 1 1 A 75 75 GLN CA C 75 58.343 56.087 2.256 1
1 732 . 5 1 1 A 75 75 GLN CB C 75 28.747 28.899 -0.152 1
1 734 . 5 1 1 A 75 75 GLN N N 75 116.376 118.269 -1.893 1
1 736 . 5 1 1 A 76 76 GLY H H 76 8.577 7.468 1.109 1
1 737 . 5 1 1 A 76 76 GLY HA2 H 76 3.647 4.039 -0.392 1
1 738 . 5 1 1 A 76 76 GLY HA3 H 76 4.510 4.047 0.463 1
1 739 . 5 1 1 A 76 76 GLY CA C 76 45.092 45.554 -0.462 1
1 740 . 5 1 1 A 76 76 GLY N N 76 111.539 107.901 3.638 1
1 741 . 5 1 1 A 77 77 MET H H 77 7.609 7.607 0.002 1
1 742 . 5 1 1 A 77 77 MET HA H 77 3.948 4.400 -0.452 1
1 747 . 5 1 1 A 77 77 MET CA C 77 58.260 55.793 2.467 1
1 748 . 5 1 1 A 77 77 MET CB C 77 34.641 33.094 1.547 1
1 750 . 5 1 1 A 77 77 MET N N 77 119.140 119.298 -0.158 1
1 751 . 5 1 1 A 78 78 LYS H H 78 8.348 8.775 -0.427 1
1 752 . 5 1 1 A 78 78 LYS HA H 78 5.015 5.141 -0.126 1
1 761 . 5 1 1 A 78 78 LYS CA C 78 54.136 54.217 -0.081 1
1 762 . 5 1 1 A 78 78 LYS CB C 78 34.944 35.474 -0.530 1
1 766 . 5 1 1 A 78 78 LYS N N 78 119.308 120.381 -1.073 1
1 767 . 5 1 1 A 79 79 VAL H H 79 8.622 8.612 0.010 1
1 768 . 5 1 1 A 79 79 VAL HA H 79 3.160 3.471 -0.311 1
1 776 . 5 1 1 A 79 79 VAL CA C 79 66.585 65.515 1.070 1
1 777 . 5 1 1 A 79 79 VAL CB C 79 31.690 31.343 0.347 1
1 780 . 5 1 1 A 79 79 VAL N N 79 123.215 122.195 1.020 1
1 781 . 5 1 1 A 80 80 GLY H H 80 8.623 8.893 -0.270 1
1 782 . 5 1 1 A 80 80 GLY HA2 H 80 3.901 4.037 -0.136 1
1 783 . 5 1 1 A 80 80 GLY HA3 H 80 4.654 4.042 0.612 1
1 784 . 5 1 1 A 80 80 GLY CA C 80 44.457 45.114 -0.657 1
1 785 . 5 1 1 A 80 80 GLY N N 80 115.910 114.816 1.094 1
1 786 . 5 1 1 A 81 81 GLY H H 81 9.283 8.344 0.939 1
1 787 . 5 1 1 A 81 81 GLY HA2 H 81 3.574 3.957 -0.383 1
1 788 . 5 1 1 A 81 81 GLY HA3 H 81 3.916 3.963 -0.047 1
1 789 . 5 1 1 A 81 81 GLY CA C 81 45.310 45.237 0.073 1
1 790 . 5 1 1 A 81 81 GLY N N 81 111.030 108.104 2.926 1
1 791 . 5 1 1 A 82 82 VAL H H 82 8.403 8.788 -0.385 1
1 792 . 5 1 1 A 82 82 VAL HA H 82 5.141 5.017 0.124 1
1 800 . 5 1 1 A 82 82 VAL CA C 82 61.633 61.110 0.523 1
1 801 . 5 1 1 A 82 82 VAL CB C 82 34.572 34.412 0.160 1
1 804 . 5 1 1 A 82 82 VAL N N 82 119.626 125.115 -5.489 1
1 805 . 5 1 1 A 83 83 ARG H H 83 9.383 8.847 0.536 1
1 806 . 5 1 1 A 83 83 ARG HA H 83 5.354 5.083 0.271 1
1 813 . 5 1 1 A 83 83 ARG CA C 83 54.577 54.715 -0.138 1
1 814 . 5 1 1 A 83 83 ARG CB C 83 35.933 34.207 1.726 1
1 817 . 5 1 1 A 83 83 ARG N N 83 130.545 124.155 6.390 1
1 818 . 5 1 1 A 84 84 ARG H H 84 9.618 8.631 0.987 1
1 819 . 5 1 1 A 84 84 ARG HA H 84 5.650 4.715 0.935 1
1 826 . 5 1 1 A 84 84 ARG CA C 84 54.383 56.029 -1.646 1
1 827 . 5 1 1 A 84 84 ARG CB C 84 32.969 31.360 1.609 1
1 830 . 5 1 1 A 84 84 ARG N N 84 127.552 123.906 3.646 1
1 831 . 5 1 1 A 85 85 LEU H H 85 10.121 9.446 0.675 1
1 832 . 5 1 1 A 85 85 LEU HA H 85 5.232 5.460 -0.228 1
1 842 . 5 1 1 A 85 85 LEU CA C 85 53.442 53.469 -0.027 1
1 843 . 5 1 1 A 85 85 LEU CB C 85 45.431 43.070 2.361 1
1 847 . 5 1 1 A 85 85 LEU N N 85 128.946 129.764 -0.818 1
1 848 . 5 1 1 A 86 86 THR H H 86 9.594 9.202 0.392 1
1 849 . 5 1 1 A 86 86 THR HA H 86 5.081 4.933 0.148 1
1 854 . 5 1 1 A 86 86 THR CA C 86 63.525 62.425 1.100 1
1 855 . 5 1 1 A 86 86 THR CB C 86 68.690 69.369 -0.679 1
1 857 . 5 1 1 A 86 86 THR N N 86 121.842 120.324 1.518 1
1 858 . 5 1 1 A 87 87 ILE H H 87 10.109 9.077 1.032 1
1 859 . 5 1 1 A 87 87 ILE HA H 87 4.539 4.728 -0.189 1
1 869 . 5 1 1 A 87 87 ILE CA C 87 58.954 58.197 0.757 1
1 870 . 5 1 1 A 87 87 ILE CB C 87 40.704 38.573 2.131 1
1 874 . 5 1 1 A 87 87 ILE N N 87 129.512 128.305 1.207 1
1 875 . 5 1 1 A 88 88 PRO HA H 88 4.981 4.700 0.281 1
1 882 . 5 1 1 A 88 88 PRO CA C 88 61.675 61.841 -0.166 1
1 883 . 5 1 1 A 88 88 PRO CB C 88 30.917 32.619 -1.702 1
1 886 . 5 1 1 A 89 89 PRO HA H 89 4.439 4.290 0.149 1
1 893 . 5 1 1 A 89 89 PRO CA C 89 65.384 65.297 0.087 1
1 894 . 5 1 1 A 89 89 PRO CB C 89 30.913 32.109 -1.196 1
1 897 . 5 1 1 A 90 90 GLN H H 90 9.574 8.888 0.686 1
1 898 . 5 1 1 A 90 90 GLN HA H 90 4.296 4.183 0.113 1
1 905 . 5 1 1 A 90 90 GLN CA C 90 58.441 57.495 0.946 1
1 906 . 5 1 1 A 90 90 GLN CB C 90 26.402 27.385 -0.983 1
1 908 . 5 1 1 A 90 90 GLN N N 90 118.710 115.493 3.217 1
1 910 . 5 1 1 A 91 91 LEU H H 91 7.976 7.361 0.615 1
1 911 . 5 1 1 A 91 91 LEU HA H 91 4.636 4.639 -0.003 1
1 921 . 5 1 1 A 91 91 LEU CA C 91 53.625 54.277 -0.652 1
1 922 . 5 1 1 A 91 91 LEU CB C 91 42.819 43.398 -0.579 1
1 926 . 5 1 1 A 91 91 LEU N N 91 119.302 118.767 0.535 1
1 927 . 5 1 1 A 92 92 GLY H H 92 7.717 7.856 -0.139 1
1 928 . 5 1 1 A 92 92 GLY HA2 H 92 3.258 4.112 -0.854 1
1 929 . 5 1 1 A 92 92 GLY HA3 H 92 4.121 4.145 -0.024 1
1 930 . 5 1 1 A 92 92 GLY CA C 92 45.183 45.854 -0.671 1
1 931 . 5 1 1 A 92 92 GLY N N 92 110.415 107.477 2.938 1
1 932 . 5 1 1 A 93 93 TYR H H 93 9.662 8.659 1.003 1
1 933 . 5 1 1 A 93 93 TYR HA H 93 4.513 4.247 0.266 1
1 940 . 5 1 1 A 93 93 TYR CA C 93 58.603 61.240 -2.637 1
1 941 . 5 1 1 A 93 93 TYR CB C 93 37.762 38.858 -1.096 1
1 942 . 5 1 1 A 93 93 TYR N N 93 126.998 122.410 4.588 1
1 943 . 5 1 1 A 94 94 GLY H H 94 8.467 7.959 0.508 1
1 944 . 5 1 1 A 94 94 GLY HA2 H 94 3.633 4.102 -0.469 1
1 945 . 5 1 1 A 94 94 GLY HA3 H 94 3.888 4.113 -0.225 1
1 946 . 5 1 1 A 94 94 GLY CA C 94 47.023 43.884 3.139 1
1 947 . 5 1 1 A 94 94 GLY N N 94 108.486 106.196 2.290 1
1 948 . 5 1 1 A 95 95 ALA H H 95 7.636 8.634 -0.998 1
1 949 . 5 1 1 A 95 95 ALA HA H 95 4.151 4.442 -0.291 1
1 953 . 5 1 1 A 95 95 ALA CA C 95 53.326 52.971 0.355 1
1 954 . 5 1 1 A 95 95 ALA CB C 95 18.831 18.817 0.014 1
1 955 . 5 1 1 A 96 96 ARG H H 96 7.910 7.918 -0.008 1
1 956 . 5 1 1 A 96 96 ARG HA H 96 4.227 4.180 0.047 1
1 963 . 5 1 1 A 96 96 ARG CA C 96 57.514 57.980 -0.466 1
1 964 . 5 1 1 A 96 96 ARG CB C 96 31.353 31.006 0.347 1
1 967 . 5 1 1 A 96 96 ARG N N 96 115.669 118.147 -2.478 1
1 968 . 5 1 1 A 97 97 GLY H H 97 6.917 7.902 -0.985 1
1 969 . 5 1 1 A 97 97 GLY HA2 H 97 3.272 4.005 -0.733 1
1 970 . 5 1 1 A 97 97 GLY HA3 H 97 3.908 4.043 -0.135 1
1 971 . 5 1 1 A 97 97 GLY CA C 97 44.693 44.860 -0.167 1
1 972 . 5 1 1 A 97 97 GLY N N 97 103.795 107.162 -3.367 1
1 973 . 5 1 1 A 98 98 ALA H H 98 8.187 8.491 -0.304 1
1 974 . 5 1 1 A 98 98 ALA HA H 98 4.287 4.508 -0.221 1
1 978 . 5 1 1 A 98 98 ALA CA C 98 52.717 53.297 -0.580 1
1 979 . 5 1 1 A 98 98 ALA CB C 98 20.563 20.644 -0.081 1
1 980 . 5 1 1 A 98 98 ALA N N 98 118.770 120.466 -1.696 1
1 981 . 5 1 1 A 99 99 GLY H H 99 8.904 8.043 0.861 1
1 982 . 5 1 1 A 99 99 GLY HA2 H 99 3.670 4.124 -0.454 1
1 983 . 5 1 1 A 99 99 GLY HA3 H 99 3.854 4.128 -0.274 1
1 984 . 5 1 1 A 99 99 GLY CA C 99 46.848 44.628 2.220 1
1 985 . 5 1 1 A 99 99 GLY N N 99 109.717 104.709 5.008 1
1 986 . 5 1 1 A 100 100 GLY H H 100 8.759 8.780 -0.021 1
1 987 . 5 1 1 A 100 100 GLY HA2 H 100 3.719 3.860 -0.141 1
1 988 . 5 1 1 A 100 100 GLY HA3 H 100 4.041 3.862 0.179 1
1 989 . 5 1 1 A 100 100 GLY CA C 100 45.655 47.068 -1.413 1
1 990 . 5 1 1 A 100 100 GLY N N 100 110.895 109.042 1.853 1
1 991 . 5 1 1 A 101 101 VAL H H 101 7.631 7.427 0.204 1
1 992 . 5 1 1 A 101 101 VAL HA H 101 4.226 4.250 -0.024 1
1 1000 . 5 1 1 A 101 101 VAL CA C 101 62.518 60.540 1.978 1
1 1001 . 5 1 1 A 101 101 VAL CB C 101 34.660 31.538 3.122 1
1 1004 . 5 1 1 A 101 101 VAL N N 101 115.165 115.477 -0.312 1
1 1005 . 5 1 1 A 102 102 ILE H H 102 7.686 7.611 0.075 1
1 1006 . 5 1 1 A 102 102 ILE HA H 102 4.351 4.630 -0.279 1
1 1016 . 5 1 1 A 102 102 ILE CA C 102 57.498 58.107 -0.609 1
1 1017 . 5 1 1 A 102 102 ILE CB C 102 38.189 39.423 -1.234 1
1 1021 . 5 1 1 A 102 102 ILE N N 102 120.043 122.258 -2.215 1
1 1022 . 5 1 1 A 103 103 PRO HA H 103 4.727 4.720 0.007 1
1 1029 . 5 1 1 A 103 103 PRO CA C 103 61.614 61.698 -0.084 1
1 1030 . 5 1 1 A 103 103 PRO CB C 103 31.055 32.781 -1.726 1
1 1033 . 5 1 1 A 104 104 PRO HA H 104 3.778 4.446 -0.668 1
1 1040 . 5 1 1 A 104 104 PRO CA C 104 63.599 64.738 -1.139 1
1 1041 . 5 1 1 A 104 104 PRO CB C 104 33.183 31.717 1.466 1
1 1044 . 5 1 1 A 105 105 ASN H H 105 8.581 8.599 -0.018 1
1 1045 . 5 1 1 A 105 105 ASN HA H 105 3.928 4.809 -0.881 1
1 1050 . 5 1 1 A 105 105 ASN CA C 105 54.447 52.454 1.993 1
1 1051 . 5 1 1 A 105 105 ASN CB C 105 37.280 38.342 -1.062 1
1 1052 . 5 1 1 A 105 105 ASN N N 105 117.269 114.120 3.149 1
1 1054 . 5 1 1 A 106 106 ALA H H 106 7.637 7.202 0.435 1
1 1055 . 5 1 1 A 106 106 ALA HA H 106 4.456 4.359 0.097 1
1 1059 . 5 1 1 A 106 106 ALA CA C 106 52.493 52.228 0.265 1
1 1060 . 5 1 1 A 106 106 ALA CB C 106 20.938 20.056 0.882 1
1 1061 . 5 1 1 A 106 106 ALA N N 106 121.257 122.843 -1.586 1
1 1062 . 5 1 1 A 107 107 THR H H 107 8.492 8.613 -0.121 1
1 1063 . 5 1 1 A 107 107 THR HA H 107 4.781 5.157 -0.376 1
1 1068 . 5 1 1 A 107 107 THR CA C 107 63.319 61.347 1.972 1
1 1069 . 5 1 1 A 107 107 THR CB C 107 69.430 71.662 -2.232 1
1 1071 . 5 1 1 A 107 107 THR N N 107 121.742 115.704 6.038 1
1 1072 . 5 1 1 A 108 108 LEU H H 108 8.900 8.900 0.000 1
1 1073 . 5 1 1 A 108 108 LEU HA H 108 5.132 5.242 -0.110 1
1 1083 . 5 1 1 A 108 108 LEU CA C 108 52.950 53.530 -0.580 1
1 1084 . 5 1 1 A 108 108 LEU CB C 108 46.730 43.435 3.295 1
1 1088 . 5 1 1 A 108 108 LEU N N 108 125.279 125.818 -0.539 1
1 1089 . 5 1 1 A 109 109 VAL H H 109 8.933 8.934 -0.001 1
1 1090 . 5 1 1 A 109 109 VAL HA H 109 5.532 4.863 0.669 1
1 1098 . 5 1 1 A 109 109 VAL CA C 109 60.793 61.358 -0.565 1
1 1099 . 5 1 1 A 109 109 VAL CB C 109 34.138 32.942 1.196 1
1 1102 . 5 1 1 A 109 109 VAL N N 109 122.496 125.905 -3.409 1
1 1103 . 5 1 1 A 110 110 PHE H H 110 9.737 9.155 0.582 1
1 1104 . 5 1 1 A 110 110 PHE HA H 110 6.457 5.328 1.129 1
1 1112 . 5 1 1 A 110 110 PHE CA C 110 55.265 55.926 -0.661 1
1 1113 . 5 1 1 A 110 110 PHE CB C 110 44.818 42.461 2.357 1
1 1114 . 5 1 1 A 110 110 PHE N N 110 121.114 125.980 -4.866 1
1 1115 . 5 1 1 A 111 111 GLU H H 111 9.223 8.422 0.801 1
1 1116 . 5 1 1 A 111 111 GLU HA H 111 5.202 4.746 0.456 1
1 1121 . 5 1 1 A 111 111 GLU CA C 111 56.709 55.199 1.510 1
1 1122 . 5 1 1 A 111 111 GLU CB C 111 32.338 31.337 1.001 1
1 1124 . 5 1 1 A 111 111 GLU N N 111 122.210 123.092 -0.882 1
1 1125 . 5 1 1 A 112 112 VAL H H 112 9.269 8.774 0.495 1
1 1126 . 5 1 1 A 112 112 VAL HA H 112 4.796 4.692 0.104 1
1 1134 . 5 1 1 A 112 112 VAL CA C 112 61.127 61.385 -0.258 1
1 1135 . 5 1 1 A 112 112 VAL CB C 112 34.634 33.181 1.453 1
1 1136 . 5 1 1 A 112 112 VAL N N 112 126.195 126.172 0.023 1
1 1137 . 5 1 1 A 113 113 GLU H H 113 9.545 9.143 0.402 1
1 1138 . 5 1 1 A 113 113 GLU HA H 113 5.483 5.398 0.085 1
1 1143 . 5 1 1 A 113 113 GLU CA C 113 53.159 54.720 -1.561 1
1 1144 . 5 1 1 A 113 113 GLU CB C 113 32.657 31.709 0.948 1
1 1146 . 5 1 1 A 113 113 GLU N N 113 128.111 124.655 3.456 1
1 1147 . 5 1 1 A 114 114 LEU H H 114 8.261 8.642 -0.381 1
1 1148 . 5 1 1 A 114 114 LEU HA H 114 4.634 4.481 0.153 1
1 1158 . 5 1 1 A 114 114 LEU CA C 114 55.217 55.591 -0.374 1
1 1159 . 5 1 1 A 114 114 LEU CB C 114 41.826 42.509 -0.683 1
1 1163 . 5 1 1 A 114 114 LEU N N 114 126.273 127.160 -0.887 1
1 1164 . 5 1 1 A 115 115 LEU H H 115 9.258 8.982 0.276 1
1 1165 . 5 1 1 A 115 115 LEU HA H 115 4.453 4.319 0.134 1
1 1175 . 5 1 1 A 115 115 LEU CA C 115 55.791 56.586 -0.795 1
1 1176 . 5 1 1 A 115 115 LEU CB C 115 42.897 42.350 0.547 1
1 1180 . 5 1 1 A 115 115 LEU N N 115 130.031 128.099 1.932 1
1 1181 . 5 1 1 A 116 116 ASP H H 116 7.748 7.476 0.272 1
1 1182 . 5 1 1 A 116 116 ASP HA H 116 4.672 4.873 -0.201 1
1 1185 . 5 1 1 A 116 116 ASP CA C 116 54.385 53.917 0.468 1
1 1186 . 5 1 1 A 116 116 ASP CB C 116 43.828 44.466 -0.638 1
1 1187 . 5 1 1 A 116 116 ASP N N 116 115.338 113.727 1.611 1
1 1 . 6 1 1 A 3 3 GLY H H 3 8.684 7.666 1.018 1
1 2 . 6 1 1 A 3 3 GLY HA2 H 3 3.959 4.043 -0.084 1
1 3 . 6 1 1 A 3 3 GLY HA3 H 3 3.959 4.046 -0.087 1
1 4 . 6 1 1 A 3 3 GLY N N 3 110.167 108.222 1.945 1
1 5 . 6 1 1 A 4 4 SER H H 4 8.315 7.851 0.464 1
1 6 . 6 1 1 A 4 4 SER HA H 4 4.468 4.481 -0.013 1
1 9 . 6 1 1 A 4 4 SER CA C 4 58.355 59.022 -0.667 1
1 10 . 6 1 1 A 4 4 SER N N 4 115.851 115.911 -0.060 1
1 11 . 6 1 1 A 5 5 MET H H 5 8.640 8.390 0.250 1
1 12 . 6 1 1 A 5 5 MET HA H 5 4.554 4.084 0.470 1
1 17 . 6 1 1 A 5 5 MET CA C 5 55.754 56.756 -1.002 1
1 18 . 6 1 1 A 5 5 MET CB C 5 32.870 31.054 1.816 1
1 20 . 6 1 1 A 5 5 MET N N 5 122.413 121.729 0.684 1
1 21 . 6 1 1 A 6 6 THR H H 6 8.265 7.624 0.641 1
1 22 . 6 1 1 A 6 6 THR HA H 6 4.296 4.770 -0.474 1
1 27 . 6 1 1 A 6 6 THR CA C 6 62.224 61.806 0.418 1
1 28 . 6 1 1 A 6 6 THR CB C 6 69.806 71.130 -1.324 1
1 30 . 6 1 1 A 6 6 THR N N 6 116.270 114.058 2.212 1
1 31 . 6 1 1 A 7 7 VAL H H 7 8.068 9.077 -1.009 1
1 32 . 6 1 1 A 7 7 VAL HA H 7 4.200 4.596 -0.396 1
1 40 . 6 1 1 A 7 7 VAL CA C 7 62.021 60.463 1.558 1
1 41 . 6 1 1 A 7 7 VAL CB C 7 32.773 34.172 -1.399 1
1 44 . 6 1 1 A 7 7 VAL N N 7 124.632 127.188 -2.556 1
1 45 . 6 1 1 A 8 8 VAL H H 8 8.985 8.058 0.927 1
1 46 . 6 1 1 A 8 8 VAL HA H 8 3.872 4.127 -0.255 1
1 54 . 6 1 1 A 8 8 VAL CA C 8 61.848 63.041 -1.193 1
1 55 . 6 1 1 A 8 8 VAL CB C 8 33.157 31.236 1.921 1
1 58 . 6 1 1 A 8 8 VAL N N 8 132.503 128.078 4.425 1
1 59 . 6 1 1 A 9 9 THR H H 9 8.213 8.878 -0.665 1
1 60 . 6 1 1 A 9 9 THR HA H 9 5.250 5.043 0.207 1
1 65 . 6 1 1 A 9 9 THR CA C 9 61.040 60.928 0.112 1
1 66 . 6 1 1 A 9 9 THR CB C 9 69.773 71.630 -1.857 1
1 68 . 6 1 1 A 9 9 THR N N 9 121.386 122.593 -1.207 1
1 69 . 6 1 1 A 10 10 THR H H 10 9.318 8.421 0.897 1
1 70 . 6 1 1 A 10 10 THR HA H 10 4.693 4.933 -0.240 1
1 75 . 6 1 1 A 10 10 THR CA C 10 60.077 59.861 0.216 1
1 76 . 6 1 1 A 10 10 THR CB C 10 70.131 71.139 -1.008 1
1 78 . 6 1 1 A 10 10 THR N N 10 119.882 113.763 6.119 1
1 79 . 6 1 1 A 11 11 GLU H H 11 9.051 8.727 0.324 1
1 80 . 6 1 1 A 11 11 GLU HA H 11 4.028 4.100 -0.072 1
1 85 . 6 1 1 A 11 11 GLU CA C 11 59.072 59.464 -0.392 1
1 86 . 6 1 1 A 11 11 GLU CB C 11 29.516 29.323 0.193 1
1 88 . 6 1 1 A 11 11 GLU N N 11 120.586 120.645 -0.059 1
1 89 . 6 1 1 A 12 12 SER H H 12 8.445 7.824 0.621 1
1 90 . 6 1 1 A 12 12 SER HA H 12 4.302 4.394 -0.092 1
1 93 . 6 1 1 A 12 12 SER CA C 12 58.483 60.431 -1.948 1
1 94 . 6 1 1 A 12 12 SER CB C 12 63.034 63.495 -0.461 1
1 95 . 6 1 1 A 12 12 SER N N 12 114.574 113.512 1.062 1
1 96 . 6 1 1 A 13 13 GLY H H 13 7.798 7.612 0.186 1
1 97 . 6 1 1 A 13 13 GLY HA2 H 13 3.425 4.064 -0.639 1
1 98 . 6 1 1 A 13 13 GLY HA3 H 13 4.401 4.064 0.337 1
1 99 . 6 1 1 A 13 13 GLY CA C 13 44.276 45.475 -1.199 1
1 100 . 6 1 1 A 13 13 GLY N N 13 109.024 108.258 0.766 1
1 101 . 6 1 1 A 14 14 LEU H H 14 7.501 7.858 -0.357 1
1 102 . 6 1 1 A 14 14 LEU HA H 14 3.967 4.542 -0.575 1
1 112 . 6 1 1 A 14 14 LEU CA C 14 56.343 55.744 0.599 1
1 113 . 6 1 1 A 14 14 LEU CB C 14 41.856 43.078 -1.222 1
1 117 . 6 1 1 A 14 14 LEU N N 14 123.870 123.397 0.473 1
1 118 . 6 1 1 A 15 15 LYS H H 15 7.812 8.422 -0.610 1
1 119 . 6 1 1 A 15 15 LYS HA H 15 5.942 5.453 0.489 1
1 127 . 6 1 1 A 15 15 LYS CA C 15 54.052 54.329 -0.277 1
1 128 . 6 1 1 A 15 15 LYS CB C 15 36.289 36.694 -0.405 1
1 132 . 6 1 1 A 15 15 LYS N N 15 123.667 124.870 -1.203 1
1 133 . 6 1 1 A 16 16 TYR H H 16 9.289 9.030 0.259 1
1 134 . 6 1 1 A 16 16 TYR HA H 16 5.996 5.600 0.396 1
1 141 . 6 1 1 A 16 16 TYR CA C 16 55.784 56.257 -0.473 1
1 142 . 6 1 1 A 16 16 TYR CB C 16 43.297 42.083 1.214 1
1 143 . 6 1 1 A 16 16 TYR N N 16 117.890 117.831 0.059 1
1 144 . 6 1 1 A 17 17 GLU H H 17 8.728 9.078 -0.350 1
1 145 . 6 1 1 A 17 17 GLU HA H 17 4.860 4.722 0.138 1
1 150 . 6 1 1 A 17 17 GLU CA C 17 54.072 54.807 -0.735 1
1 151 . 6 1 1 A 17 17 GLU CB C 17 35.222 33.418 1.804 1
1 152 . 6 1 1 A 17 17 GLU N N 17 118.386 121.087 -2.701 1
1 153 . 6 1 1 A 18 18 ASP H H 18 9.596 8.711 0.885 1
1 154 . 6 1 1 A 18 18 ASP HA H 18 5.296 4.667 0.629 1
1 157 . 6 1 1 A 18 18 ASP CA C 18 55.695 54.760 0.935 1
1 158 . 6 1 1 A 18 18 ASP CB C 18 40.940 41.306 -0.366 1
1 159 . 6 1 1 A 18 18 ASP N N 18 127.059 126.908 0.151 1
1 160 . 6 1 1 A 19 19 LEU H H 19 8.609 9.080 -0.471 1
1 161 . 6 1 1 A 19 19 LEU HA H 19 4.275 4.585 -0.310 1
1 171 . 6 1 1 A 19 19 LEU CA C 19 56.923 55.913 1.010 1
1 172 . 6 1 1 A 19 19 LEU CB C 19 41.074 43.878 -2.804 1
1 176 . 6 1 1 A 19 19 LEU N N 19 128.620 126.550 2.070 1
1 177 . 6 1 1 A 20 20 THR H H 20 8.136 8.065 0.071 1
1 178 . 6 1 1 A 20 20 THR HA H 20 4.400 4.806 -0.406 1
1 183 . 6 1 1 A 20 20 THR CA C 20 61.835 61.347 0.488 1
1 184 . 6 1 1 A 20 20 THR CB C 20 72.411 71.680 0.731 1
1 186 . 6 1 1 A 20 20 THR N N 20 112.473 111.893 0.580 1
1 187 . 6 1 1 A 21 21 GLU H H 21 9.354 8.824 0.530 1
1 188 . 6 1 1 A 21 21 GLU HA H 21 4.370 4.200 0.170 1
1 193 . 6 1 1 A 21 21 GLU CA C 21 56.277 57.967 -1.690 1
1 194 . 6 1 1 A 21 21 GLU CB C 21 30.368 30.607 -0.239 1
1 196 . 6 1 1 A 21 21 GLU N N 21 130.043 126.340 3.703 1
1 197 . 6 1 1 A 22 22 GLY H H 22 9.071 8.433 0.638 1
1 198 . 6 1 1 A 22 22 GLY HA2 H 22 3.446 4.210 -0.764 1
1 199 . 6 1 1 A 22 22 GLY HA3 H 22 3.742 4.211 -0.469 1
1 200 . 6 1 1 A 22 22 GLY CA C 22 45.343 45.668 -0.325 1
1 201 . 6 1 1 A 22 22 GLY N N 22 113.930 109.185 4.745 1
1 202 . 6 1 1 A 23 23 SER H H 23 8.040 8.717 -0.677 1
1 203 . 6 1 1 A 23 23 SER HA H 23 4.671 4.644 0.027 1
1 206 . 6 1 1 A 23 23 SER CA C 23 57.488 57.934 -0.446 1
1 207 . 6 1 1 A 23 23 SER CB C 23 65.069 61.237 3.832 1
1 208 . 6 1 1 A 23 23 SER N N 23 111.747 121.373 -9.626 1
1 209 . 6 1 1 A 24 24 GLY H H 24 8.418 8.381 0.037 1
1 210 . 6 1 1 A 24 24 GLY HA2 H 24 3.693 4.058 -0.365 1
1 211 . 6 1 1 A 24 24 GLY HA3 H 24 4.328 4.059 0.269 1
1 212 . 6 1 1 A 24 24 GLY CA C 24 44.138 44.991 -0.853 1
1 213 . 6 1 1 A 24 24 GLY N N 24 111.391 113.052 -1.661 1
1 214 . 6 1 1 A 25 25 ALA H H 25 8.342 8.251 0.091 1
1 215 . 6 1 1 A 25 25 ALA HA H 25 4.061 5.127 -1.066 1
1 219 . 6 1 1 A 25 25 ALA CA C 25 52.551 51.120 1.431 1
1 220 . 6 1 1 A 25 25 ALA CB C 25 19.752 22.801 -3.049 1
1 221 . 6 1 1 A 25 25 ALA N N 25 123.675 124.352 -0.677 1
1 222 . 6 1 1 A 26 26 GLU H H 26 8.194 8.541 -0.347 1
1 223 . 6 1 1 A 26 26 GLU HA H 26 4.498 4.765 -0.267 1
1 228 . 6 1 1 A 26 26 GLU CA C 26 55.174 56.655 -1.481 1
1 229 . 6 1 1 A 26 26 GLU CB C 26 31.906 30.014 1.892 1
1 231 . 6 1 1 A 26 26 GLU N N 26 119.186 122.613 -3.427 1
1 232 . 6 1 1 A 27 27 ALA H H 27 8.930 8.173 0.757 1
1 233 . 6 1 1 A 27 27 ALA HA H 27 4.527 4.264 0.263 1
1 237 . 6 1 1 A 27 27 ALA CA C 27 51.815 52.929 -1.114 1
1 238 . 6 1 1 A 27 27 ALA CB C 27 19.057 19.413 -0.356 1
1 239 . 6 1 1 A 27 27 ALA N N 27 127.513 127.729 -0.216 1
1 240 . 6 1 1 A 28 28 ARG H H 28 8.348 8.763 -0.415 1
1 241 . 6 1 1 A 28 28 ARG HA H 28 4.563 4.829 -0.266 1
1 246 . 6 1 1 A 28 28 ARG CA C 28 53.584 54.316 -0.732 1
1 247 . 6 1 1 A 28 28 ARG CB C 28 33.571 33.664 -0.093 1
1 250 . 6 1 1 A 28 28 ARG N N 28 124.054 120.448 3.606 1
1 251 . 6 1 1 A 29 29 ALA H H 29 8.387 8.586 -0.199 1
1 252 . 6 1 1 A 29 29 ALA HA H 29 3.594 4.160 -0.566 1
1 256 . 6 1 1 A 29 29 ALA CA C 29 53.535 53.894 -0.359 1
1 257 . 6 1 1 A 29 29 ALA CB C 29 17.781 18.427 -0.646 1
1 258 . 6 1 1 A 29 29 ALA N N 29 122.289 125.978 -3.689 1
1 259 . 6 1 1 A 30 30 GLY H H 30 9.043 9.004 0.039 1
1 260 . 6 1 1 A 30 30 GLY HA2 H 30 3.451 4.011 -0.560 1
1 261 . 6 1 1 A 30 30 GLY HA3 H 30 4.378 4.012 0.366 1
1 262 . 6 1 1 A 30 30 GLY CA C 30 44.562 45.086 -0.524 1
1 263 . 6 1 1 A 30 30 GLY N N 30 110.956 111.102 -0.146 1
1 264 . 6 1 1 A 31 31 GLN H H 31 7.620 7.643 -0.023 1
1 265 . 6 1 1 A 31 31 GLN HA H 31 4.343 4.580 -0.237 1
1 272 . 6 1 1 A 31 31 GLN CA C 31 55.410 54.944 0.466 1
1 273 . 6 1 1 A 31 31 GLN CB C 31 30.151 30.303 -0.152 1
1 275 . 6 1 1 A 31 31 GLN N N 31 119.756 118.847 0.909 1
1 277 . 6 1 1 A 32 32 THR H H 32 8.793 8.565 0.228 1
1 278 . 6 1 1 A 32 32 THR HA H 32 4.463 4.828 -0.365 1
1 283 . 6 1 1 A 32 32 THR CA C 32 63.072 62.319 0.753 1
1 284 . 6 1 1 A 32 32 THR CB C 32 68.380 70.282 -1.902 1
1 286 . 6 1 1 A 32 32 THR N N 32 119.718 118.434 1.284 1
1 287 . 6 1 1 A 33 33 VAL H H 33 8.393 8.764 -0.371 1
1 288 . 6 1 1 A 33 33 VAL HA H 33 4.712 4.876 -0.164 1
1 296 . 6 1 1 A 33 33 VAL CA C 33 58.274 59.055 -0.781 1
1 297 . 6 1 1 A 33 33 VAL CB C 33 33.309 36.212 -2.903 1
1 300 . 6 1 1 A 33 33 VAL N N 33 120.513 119.771 0.742 1
1 301 . 6 1 1 A 34 34 SER H H 34 7.865 9.237 -1.372 1
1 302 . 6 1 1 A 34 34 SER HA H 34 5.262 5.320 -0.058 1
1 305 . 6 1 1 A 34 34 SER CA C 34 56.443 56.748 -0.305 1
1 306 . 6 1 1 A 34 34 SER CB C 34 64.882 64.650 0.232 1
1 307 . 6 1 1 A 34 34 SER N N 34 113.652 117.150 -3.498 1
1 308 . 6 1 1 A 35 35 VAL H H 35 9.531 9.202 0.329 1
1 309 . 6 1 1 A 35 35 VAL HA H 35 5.715 5.132 0.583 1
1 317 . 6 1 1 A 35 35 VAL CA C 35 58.226 59.106 -0.880 1
1 318 . 6 1 1 A 35 35 VAL CB C 35 35.412 36.034 -0.622 1
1 321 . 6 1 1 A 35 35 VAL N N 35 117.985 119.686 -1.701 1
1 322 . 6 1 1 A 36 36 HIS H H 36 8.812 8.844 -0.032 1
1 323 . 6 1 1 A 36 36 HIS HA H 36 5.784 5.612 0.172 1
1 328 . 6 1 1 A 36 36 HIS CA C 36 54.671 53.968 0.703 1
1 329 . 6 1 1 A 36 36 HIS CB C 36 35.786 32.179 3.607 1
1 330 . 6 1 1 A 36 36 HIS N N 36 118.227 120.501 -2.274 1
1 331 . 6 1 1 A 37 37 TYR H H 37 9.680 8.883 0.797 1
1 332 . 6 1 1 A 37 37 TYR HA H 37 6.201 5.962 0.239 1
1 339 . 6 1 1 A 37 37 TYR CA C 37 56.280 55.208 1.072 1
1 340 . 6 1 1 A 37 37 TYR CB C 37 43.791 41.894 1.897 1
1 341 . 6 1 1 A 37 37 TYR N N 37 116.878 119.866 -2.988 1
1 342 . 6 1 1 A 38 38 THR H H 38 8.478 8.579 -0.101 1
1 343 . 6 1 1 A 38 38 THR HA H 38 4.374 4.689 -0.315 1
1 348 . 6 1 1 A 38 38 THR CA C 38 62.692 60.912 1.780 1
1 349 . 6 1 1 A 38 38 THR CB C 38 71.675 71.165 0.510 1
1 351 . 6 1 1 A 38 38 THR N N 38 117.172 115.465 1.707 1
1 352 . 6 1 1 A 39 39 GLY H H 39 8.332 9.005 -0.673 1
1 353 . 6 1 1 A 39 39 GLY HA2 H 39 1.943 3.193 -1.250 1
1 354 . 6 1 1 A 39 39 GLY HA3 H 39 4.624 3.493 1.131 1
1 355 . 6 1 1 A 39 39 GLY CA C 39 44.767 44.680 0.087 1
1 356 . 6 1 1 A 39 39 GLY N N 39 113.042 114.317 -1.275 1
1 357 . 6 1 1 A 40 40 TRP H H 40 9.669 8.554 1.115 1
1 358 . 6 1 1 A 40 40 TRP HA H 40 5.499 5.095 0.404 1
1 366 . 6 1 1 A 40 40 TRP CA C 40 57.026 55.442 1.584 1
1 367 . 6 1 1 A 40 40 TRP CB C 40 34.177 32.746 1.431 1
1 368 . 6 1 1 A 40 40 TRP N N 40 123.550 125.333 -1.783 1
1 370 . 6 1 1 A 41 41 LEU H H 41 8.699 8.910 -0.211 1
1 371 . 6 1 1 A 41 41 LEU HA H 41 5.056 4.921 0.135 1
1 381 . 6 1 1 A 41 41 LEU CA C 41 54.040 53.701 0.339 1
1 382 . 6 1 1 A 41 41 LEU CB C 41 41.981 42.946 -0.965 1
1 386 . 6 1 1 A 41 41 LEU N N 41 119.318 123.057 -3.739 1
1 387 . 6 1 1 A 42 42 THR H H 42 9.418 8.843 0.575 1
1 388 . 6 1 1 A 42 42 THR HA H 42 3.962 4.058 -0.096 1
1 393 . 6 1 1 A 42 42 THR CA C 42 65.117 64.783 0.334 1
1 394 . 6 1 1 A 42 42 THR CB C 42 68.693 68.506 0.187 1
1 396 . 6 1 1 A 42 42 THR N N 42 112.465 116.344 -3.879 1
1 397 . 6 1 1 A 43 43 ASP H H 43 7.690 7.892 -0.202 1
1 398 . 6 1 1 A 43 43 ASP HA H 43 4.538 4.656 -0.118 1
1 401 . 6 1 1 A 43 43 ASP CA C 43 53.655 54.066 -0.411 1
1 402 . 6 1 1 A 43 43 ASP CB C 43 40.109 41.602 -1.493 1
1 403 . 6 1 1 A 43 43 ASP N N 43 118.952 120.070 -1.118 1
1 404 . 6 1 1 A 44 44 GLY H H 44 8.043 7.955 0.088 1
1 405 . 6 1 1 A 44 44 GLY HA2 H 44 3.521 3.920 -0.399 1
1 406 . 6 1 1 A 44 44 GLY HA3 H 44 4.318 3.932 0.386 1
1 407 . 6 1 1 A 44 44 GLY CA C 44 44.869 44.899 -0.030 1
1 408 . 6 1 1 A 44 44 GLY N N 44 107.790 105.952 1.838 1
1 409 . 6 1 1 A 45 45 GLN H H 45 8.355 7.719 0.636 1
1 410 . 6 1 1 A 45 45 GLN HA H 45 4.319 4.293 0.026 1
1 417 . 6 1 1 A 45 45 GLN CA C 45 56.909 55.614 1.295 1
1 418 . 6 1 1 A 45 45 GLN CB C 45 29.837 29.281 0.556 1
1 420 . 6 1 1 A 45 45 GLN N N 45 121.541 119.579 1.962 1
1 422 . 6 1 1 A 46 46 LYS H H 46 8.915 8.505 0.410 1
1 423 . 6 1 1 A 46 46 LYS HA H 46 4.454 4.617 -0.163 1
1 432 . 6 1 1 A 46 46 LYS CA C 46 55.782 55.649 0.133 1
1 433 . 6 1 1 A 46 46 LYS CB C 46 33.097 33.001 0.096 1
1 437 . 6 1 1 A 46 46 LYS N N 46 129.310 126.532 2.778 1
1 438 . 6 1 1 A 47 47 PHE H H 47 8.440 8.113 0.327 1
1 439 . 6 1 1 A 47 47 PHE HA H 47 5.103 4.907 0.196 1
1 447 . 6 1 1 A 47 47 PHE CA C 47 56.272 56.871 -0.599 1
1 448 . 6 1 1 A 47 47 PHE CB C 47 41.094 40.551 0.543 1
1 449 . 6 1 1 A 47 47 PHE N N 47 122.874 122.406 0.468 1
1 450 . 6 1 1 A 48 48 ASP H H 48 6.744 7.130 -0.386 1
1 451 . 6 1 1 A 48 48 ASP HA H 48 4.790 5.313 -0.523 1
1 454 . 6 1 1 A 48 48 ASP CA C 48 54.518 53.279 1.239 1
1 455 . 6 1 1 A 48 48 ASP CB C 48 43.929 42.945 0.984 1
1 456 . 6 1 1 A 48 48 ASP N N 48 118.152 120.475 -2.323 1
1 457 . 6 1 1 A 49 49 SER H H 49 8.122 8.539 -0.417 1
1 458 . 6 1 1 A 49 49 SER HA H 49 4.608 5.103 -0.495 1
1 461 . 6 1 1 A 49 49 SER CA C 49 56.963 56.540 0.423 1
1 462 . 6 1 1 A 49 49 SER CB C 49 64.699 66.172 -1.473 1
1 463 . 6 1 1 A 49 49 SER N N 49 117.585 118.661 -1.076 1
1 464 . 6 1 1 A 50 50 SER H H 50 8.020 8.884 -0.864 1
1 465 . 6 1 1 A 50 50 SER HA H 50 4.045 4.132 -0.087 1
1 468 . 6 1 1 A 50 50 SER CA C 50 61.482 60.273 1.209 1
1 469 . 6 1 1 A 50 50 SER CB C 50 61.488 62.638 -1.150 1
1 470 . 6 1 1 A 50 50 SER N N 50 124.801 119.592 5.209 1
1 471 . 6 1 1 A 51 51 LYS H H 51 7.730 8.023 -0.293 1
1 472 . 6 1 1 A 51 51 LYS HA H 51 3.505 4.032 -0.527 1
1 481 . 6 1 1 A 51 51 LYS CA C 51 58.921 59.355 -0.434 1
1 482 . 6 1 1 A 51 51 LYS CB C 51 31.346 32.025 -0.679 1
1 486 . 6 1 1 A 51 51 LYS N N 51 124.103 120.309 3.794 1
1 487 . 6 1 1 A 52 52 ASP H H 52 7.324 8.713 -1.389 1
1 488 . 6 1 1 A 52 52 ASP HA H 52 4.284 4.340 -0.056 1
1 491 . 6 1 1 A 52 52 ASP CA C 52 56.524 56.885 -0.361 1
1 492 . 6 1 1 A 52 52 ASP CB C 52 40.201 39.907 0.294 1
1 493 . 6 1 1 A 52 52 ASP N N 52 118.971 117.555 1.416 1
1 494 . 6 1 1 A 53 53 ARG H H 53 6.923 7.901 -0.978 1
1 495 . 6 1 1 A 53 53 ARG HA H 53 4.461 4.428 0.033 1
1 502 . 6 1 1 A 53 53 ARG CA C 53 55.597 56.691 -1.094 1
1 503 . 6 1 1 A 53 53 ARG CB C 53 31.289 32.119 -0.830 1
1 506 . 6 1 1 A 53 53 ARG N N 53 114.803 115.619 -0.816 1
1 507 . 6 1 1 A 54 54 ASN H H 54 7.827 7.876 -0.049 1
1 508 . 6 1 1 A 54 54 ASN HA H 54 4.352 4.365 -0.013 1
1 513 . 6 1 1 A 54 54 ASN CA C 54 54.339 54.690 -0.351 1
1 514 . 6 1 1 A 54 54 ASN CB C 54 37.849 36.680 1.169 1
1 515 . 6 1 1 A 54 54 ASN N N 54 117.421 115.053 2.368 1
1 517 . 6 1 1 A 55 55 ASP H H 55 7.580 7.911 -0.331 1
1 518 . 6 1 1 A 55 55 ASP HA H 55 5.360 5.075 0.285 1
1 521 . 6 1 1 A 55 55 ASP CA C 55 51.697 51.531 0.166 1
1 522 . 6 1 1 A 55 55 ASP CB C 55 43.377 44.407 -1.030 1
1 523 . 6 1 1 A 55 55 ASP N N 55 115.802 117.779 -1.977 1
1 524 . 6 1 1 A 56 56 PRO HA H 56 4.022 3.498 0.524 1
1 531 . 6 1 1 A 56 56 PRO CA C 56 63.115 62.305 0.810 1
1 532 . 6 1 1 A 56 56 PRO CB C 56 32.348 32.308 0.040 1
1 535 . 6 1 1 A 57 57 PHE H H 57 9.207 8.408 0.799 1
1 536 . 6 1 1 A 57 57 PHE HA H 57 4.874 4.654 0.220 1
1 544 . 6 1 1 A 57 57 PHE CA C 57 57.290 57.452 -0.162 1
1 545 . 6 1 1 A 57 57 PHE CB C 57 42.517 39.167 3.350 1
1 546 . 6 1 1 A 57 57 PHE N N 57 124.509 123.005 1.504 1
1 547 . 6 1 1 A 58 58 ALA H H 58 7.942 8.749 -0.807 1
1 548 . 6 1 1 A 58 58 ALA HA H 58 5.928 5.435 0.493 1
1 552 . 6 1 1 A 58 58 ALA CA C 58 49.705 50.362 -0.657 1
1 553 . 6 1 1 A 58 58 ALA CB C 58 21.621 21.275 0.346 1
1 554 . 6 1 1 A 58 58 ALA N N 58 130.661 130.013 0.648 1
1 555 . 6 1 1 A 59 59 PHE H H 59 8.455 8.541 -0.086 1
1 556 . 6 1 1 A 59 59 PHE HA H 59 4.660 5.010 -0.350 1
1 564 . 6 1 1 A 59 59 PHE CA C 59 55.610 55.823 -0.213 1
1 565 . 6 1 1 A 59 59 PHE CB C 59 40.857 40.694 0.163 1
1 566 . 6 1 1 A 59 59 PHE N N 59 114.967 117.250 -2.283 1
1 567 . 6 1 1 A 60 60 VAL H H 60 8.168 8.552 -0.384 1
1 568 . 6 1 1 A 60 60 VAL HA H 60 4.084 4.478 -0.394 1
1 576 . 6 1 1 A 60 60 VAL CA C 60 61.907 60.010 1.897 1
1 577 . 6 1 1 A 60 60 VAL CB C 60 31.564 33.742 -2.178 1
1 580 . 6 1 1 A 60 60 VAL N N 60 120.308 120.455 -0.147 1
1 581 . 6 1 1 A 61 61 LEU H H 61 8.900 8.445 0.455 1
1 582 . 6 1 1 A 61 61 LEU HA H 61 4.248 3.991 0.257 1
1 592 . 6 1 1 A 61 61 LEU CA C 61 56.558 56.367 0.191 1
1 593 . 6 1 1 A 61 61 LEU CB C 61 41.736 41.733 0.003 1
1 597 . 6 1 1 A 61 61 LEU N N 61 134.513 129.312 5.201 1
1 598 . 6 1 1 A 62 62 GLY H H 62 9.652 9.194 0.458 1
1 599 . 6 1 1 A 62 62 GLY HA2 H 62 3.558 4.062 -0.504 1
1 600 . 6 1 1 A 62 62 GLY HA3 H 62 4.154 4.091 0.063 1
1 601 . 6 1 1 A 62 62 GLY CA C 62 45.721 45.654 0.067 1
1 602 . 6 1 1 A 62 62 GLY N N 62 119.352 115.084 4.268 1
1 603 . 6 1 1 A 63 63 GLY H H 63 8.338 7.956 0.382 1
1 604 . 6 1 1 A 63 63 GLY HA2 H 63 3.557 3.909 -0.352 1
1 605 . 6 1 1 A 63 63 GLY HA3 H 63 4.298 3.959 0.339 1
1 606 . 6 1 1 A 63 63 GLY CA C 63 45.442 46.939 -1.497 1
1 607 . 6 1 1 A 63 63 GLY N N 63 107.002 108.314 -1.312 1
1 608 . 6 1 1 A 64 64 GLY H H 64 9.301 8.149 1.152 1
1 609 . 6 1 1 A 64 64 GLY HA2 H 64 4.057 4.059 -0.002 1
1 610 . 6 1 1 A 64 64 GLY HA3 H 64 4.057 4.063 -0.006 1
1 611 . 6 1 1 A 64 64 GLY CA C 64 46.425 45.354 1.071 1
1 612 . 6 1 1 A 64 64 GLY N N 64 112.092 107.490 4.602 1
1 613 . 6 1 1 A 65 65 MET H H 65 9.574 8.111 1.463 1
1 614 . 6 1 1 A 65 65 MET HA H 65 4.546 4.645 -0.099 1
1 619 . 6 1 1 A 65 65 MET CA C 65 55.641 54.342 1.299 1
1 620 . 6 1 1 A 65 65 MET CB C 65 33.268 33.417 -0.149 1
1 622 . 6 1 1 A 65 65 MET N N 65 118.659 120.397 -1.738 1
1 623 . 6 1 1 A 66 66 VAL H H 66 6.867 7.412 -0.545 1
1 624 . 6 1 1 A 66 66 VAL HA H 66 4.454 4.543 -0.089 1
1 632 . 6 1 1 A 66 66 VAL CA C 66 57.545 58.549 -1.004 1
1 633 . 6 1 1 A 66 66 VAL CB C 66 35.736 35.840 -0.104 1
1 636 . 6 1 1 A 66 66 VAL N N 66 108.649 115.119 -6.470 1
1 637 . 6 1 1 A 67 67 ILE H H 67 7.158 7.700 -0.542 1
1 638 . 6 1 1 A 67 67 ILE HA H 67 3.894 4.113 -0.219 1
1 648 . 6 1 1 A 67 67 ILE CA C 67 62.065 61.297 0.768 1
1 649 . 6 1 1 A 67 67 ILE CB C 67 37.130 38.818 -1.688 1
1 653 . 6 1 1 A 67 67 ILE N N 67 111.614 116.856 -5.242 1
1 654 . 6 1 1 A 68 68 LYS H H 68 9.182 8.927 0.255 1
1 655 . 6 1 1 A 68 68 LYS HA H 68 4.241 3.940 0.301 1
1 664 . 6 1 1 A 68 68 LYS CA C 68 60.042 59.548 0.494 1
1 665 . 6 1 1 A 68 68 LYS CB C 68 33.366 32.227 1.139 1
1 669 . 6 1 1 A 68 68 LYS N N 68 125.685 123.516 2.169 1
1 670 . 6 1 1 A 69 69 GLY H H 69 9.653 8.291 1.362 1
1 671 . 6 1 1 A 69 69 GLY HA2 H 69 3.595 3.808 -0.213 1
1 672 . 6 1 1 A 69 69 GLY HA3 H 69 3.971 3.846 0.125 1
1 673 . 6 1 1 A 69 69 GLY CA C 69 47.597 47.422 0.175 1
1 674 . 6 1 1 A 69 69 GLY N N 69 102.438 107.169 -4.731 1
1 675 . 6 1 1 A 70 70 TRP H H 70 7.745 7.833 -0.088 1
1 676 . 6 1 1 A 70 70 TRP HA H 70 4.152 4.530 -0.378 1
1 684 . 6 1 1 A 70 70 TRP CA C 70 60.737 60.525 0.212 1
1 685 . 6 1 1 A 70 70 TRP CB C 70 29.185 28.301 0.884 1
1 686 . 6 1 1 A 70 70 TRP N N 70 120.118 121.339 -1.221 1
1 687 . 6 1 1 A 71 71 ASP H H 71 7.058 8.465 -1.407 1
1 688 . 6 1 1 A 71 71 ASP HA H 71 4.878 4.329 0.549 1
1 691 . 6 1 1 A 71 71 ASP CA C 71 57.165 57.365 -0.200 1
1 692 . 6 1 1 A 71 71 ASP CB C 71 40.749 40.134 0.615 1
1 693 . 6 1 1 A 71 71 ASP N N 71 120.287 119.440 0.847 1
1 694 . 6 1 1 A 72 72 GLU H H 72 7.856 8.668 -0.812 1
1 695 . 6 1 1 A 72 72 GLU HA H 72 4.120 4.017 0.103 1
1 700 . 6 1 1 A 72 72 GLU CA C 72 58.236 59.447 -1.211 1
1 701 . 6 1 1 A 72 72 GLU CB C 72 30.409 29.271 1.138 1
1 703 . 6 1 1 A 72 72 GLU N N 72 114.126 119.333 -5.207 1
1 704 . 6 1 1 A 73 73 GLY H H 73 7.732 8.031 -0.299 1
1 705 . 6 1 1 A 73 73 GLY HA2 H 73 3.565 3.649 -0.084 1
1 706 . 6 1 1 A 73 73 GLY HA3 H 73 3.565 3.650 -0.085 1
1 707 . 6 1 1 A 73 73 GLY CA C 73 47.427 47.266 0.161 1
1 708 . 6 1 1 A 73 73 GLY N N 73 104.848 107.784 -2.936 1
1 709 . 6 1 1 A 74 74 VAL H H 74 8.138 8.694 -0.556 1
1 710 . 6 1 1 A 74 74 VAL HA H 74 3.630 3.744 -0.114 1
1 718 . 6 1 1 A 74 74 VAL CA C 74 63.679 65.804 -2.125 1
1 719 . 6 1 1 A 74 74 VAL CB C 74 31.206 31.602 -0.396 1
1 722 . 6 1 1 A 74 74 VAL N N 74 117.660 122.399 -4.739 1
1 723 . 6 1 1 A 75 75 GLN H H 75 6.431 7.982 -1.551 1
1 724 . 6 1 1 A 75 75 GLN HA H 75 3.598 4.281 -0.683 1
1 731 . 6 1 1 A 75 75 GLN CA C 75 58.343 55.205 3.138 1
1 732 . 6 1 1 A 75 75 GLN CB C 75 28.747 28.144 0.603 1
1 734 . 6 1 1 A 75 75 GLN N N 75 116.376 116.867 -0.491 1
1 736 . 6 1 1 A 76 76 GLY H H 76 8.577 7.204 1.373 1
1 737 . 6 1 1 A 76 76 GLY HA2 H 76 3.647 4.059 -0.412 1
1 738 . 6 1 1 A 76 76 GLY HA3 H 76 4.510 4.061 0.449 1
1 739 . 6 1 1 A 76 76 GLY CA C 76 45.092 45.698 -0.606 1
1 740 . 6 1 1 A 76 76 GLY N N 76 111.539 108.442 3.097 1
1 741 . 6 1 1 A 77 77 MET H H 77 7.609 7.634 -0.025 1
1 742 . 6 1 1 A 77 77 MET HA H 77 3.948 4.498 -0.550 1
1 747 . 6 1 1 A 77 77 MET CA C 77 58.260 55.516 2.744 1
1 748 . 6 1 1 A 77 77 MET CB C 77 34.641 33.610 1.031 1
1 750 . 6 1 1 A 77 77 MET N N 77 119.140 119.192 -0.052 1
1 751 . 6 1 1 A 78 78 LYS H H 78 8.348 8.652 -0.304 1
1 752 . 6 1 1 A 78 78 LYS HA H 78 5.015 5.091 -0.076 1
1 761 . 6 1 1 A 78 78 LYS CA C 78 54.136 54.348 -0.212 1
1 762 . 6 1 1 A 78 78 LYS CB C 78 34.944 35.335 -0.391 1
1 766 . 6 1 1 A 78 78 LYS N N 78 119.308 119.678 -0.370 1
1 767 . 6 1 1 A 79 79 VAL H H 79 8.622 8.833 -0.211 1
1 768 . 6 1 1 A 79 79 VAL HA H 79 3.160 3.460 -0.300 1
1 776 . 6 1 1 A 79 79 VAL CA C 79 66.585 65.551 1.034 1
1 777 . 6 1 1 A 79 79 VAL CB C 79 31.690 31.413 0.277 1
1 780 . 6 1 1 A 79 79 VAL N N 79 123.215 122.533 0.682 1
1 781 . 6 1 1 A 80 80 GLY H H 80 8.623 8.860 -0.237 1
1 782 . 6 1 1 A 80 80 GLY HA2 H 80 3.901 4.041 -0.140 1
1 783 . 6 1 1 A 80 80 GLY HA3 H 80 4.654 4.046 0.608 1
1 784 . 6 1 1 A 80 80 GLY CA C 80 44.457 45.115 -0.658 1
1 785 . 6 1 1 A 80 80 GLY N N 80 115.910 114.745 1.165 1
1 786 . 6 1 1 A 81 81 GLY H H 81 9.283 8.267 1.016 1
1 787 . 6 1 1 A 81 81 GLY HA2 H 81 3.574 3.965 -0.391 1
1 788 . 6 1 1 A 81 81 GLY HA3 H 81 3.916 3.969 -0.053 1
1 789 . 6 1 1 A 81 81 GLY CA C 81 45.310 45.292 0.018 1
1 790 . 6 1 1 A 81 81 GLY N N 81 111.030 108.113 2.917 1
1 791 . 6 1 1 A 82 82 VAL H H 82 8.403 8.823 -0.420 1
1 792 . 6 1 1 A 82 82 VAL HA H 82 5.141 4.999 0.142 1
1 800 . 6 1 1 A 82 82 VAL CA C 82 61.633 61.020 0.613 1
1 801 . 6 1 1 A 82 82 VAL CB C 82 34.572 34.098 0.474 1
1 804 . 6 1 1 A 82 82 VAL N N 82 119.626 125.253 -5.627 1
1 805 . 6 1 1 A 83 83 ARG H H 83 9.383 8.833 0.550 1
1 806 . 6 1 1 A 83 83 ARG HA H 83 5.354 5.086 0.268 1
1 813 . 6 1 1 A 83 83 ARG CA C 83 54.577 54.840 -0.263 1
1 814 . 6 1 1 A 83 83 ARG CB C 83 35.933 34.143 1.790 1
1 817 . 6 1 1 A 83 83 ARG N N 83 130.545 124.084 6.461 1
1 818 . 6 1 1 A 84 84 ARG H H 84 9.618 8.462 1.156 1
1 819 . 6 1 1 A 84 84 ARG HA H 84 5.650 4.679 0.971 1
1 826 . 6 1 1 A 84 84 ARG CA C 84 54.383 55.521 -1.138 1
1 827 . 6 1 1 A 84 84 ARG CB C 84 32.969 31.244 1.725 1
1 830 . 6 1 1 A 84 84 ARG N N 84 127.552 120.068 7.484 1
1 831 . 6 1 1 A 85 85 LEU H H 85 10.121 9.289 0.832 1
1 832 . 6 1 1 A 85 85 LEU HA H 85 5.232 5.435 -0.203 1
1 842 . 6 1 1 A 85 85 LEU CA C 85 53.442 53.399 0.043 1
1 843 . 6 1 1 A 85 85 LEU CB C 85 45.431 44.501 0.930 1
1 847 . 6 1 1 A 85 85 LEU N N 85 128.946 126.140 2.806 1
1 848 . 6 1 1 A 86 86 THR H H 86 9.594 9.281 0.313 1
1 849 . 6 1 1 A 86 86 THR HA H 86 5.081 5.010 0.071 1
1 854 . 6 1 1 A 86 86 THR CA C 86 63.525 62.312 1.213 1
1 855 . 6 1 1 A 86 86 THR CB C 86 68.690 69.431 -0.741 1
1 857 . 6 1 1 A 86 86 THR N N 86 121.842 120.685 1.157 1
1 858 . 6 1 1 A 87 87 ILE H H 87 10.109 9.076 1.033 1
1 859 . 6 1 1 A 87 87 ILE HA H 87 4.539 4.722 -0.183 1
1 869 . 6 1 1 A 87 87 ILE CA C 87 58.954 57.648 1.306 1
1 870 . 6 1 1 A 87 87 ILE CB C 87 40.704 38.899 1.805 1
1 874 . 6 1 1 A 87 87 ILE N N 87 129.512 128.054 1.458 1
1 875 . 6 1 1 A 88 88 PRO HA H 88 4.981 4.711 0.270 1
1 882 . 6 1 1 A 88 88 PRO CA C 88 61.675 61.787 -0.112 1
1 883 . 6 1 1 A 88 88 PRO CB C 88 30.917 32.614 -1.697 1
1 886 . 6 1 1 A 89 89 PRO HA H 89 4.439 4.304 0.135 1
1 893 . 6 1 1 A 89 89 PRO CA C 89 65.384 65.327 0.057 1
1 894 . 6 1 1 A 89 89 PRO CB C 89 30.913 32.098 -1.185 1
1 897 . 6 1 1 A 90 90 GLN H H 90 9.574 8.894 0.680 1
1 898 . 6 1 1 A 90 90 GLN HA H 90 4.296 4.189 0.107 1
1 905 . 6 1 1 A 90 90 GLN CA C 90 58.441 57.499 0.942 1
1 906 . 6 1 1 A 90 90 GLN CB C 90 26.402 27.392 -0.990 1
1 908 . 6 1 1 A 90 90 GLN N N 90 118.710 115.518 3.192 1
1 910 . 6 1 1 A 91 91 LEU H H 91 7.976 7.436 0.540 1
1 911 . 6 1 1 A 91 91 LEU HA H 91 4.636 4.646 -0.010 1
1 921 . 6 1 1 A 91 91 LEU CA C 91 53.625 54.253 -0.628 1
1 922 . 6 1 1 A 91 91 LEU CB C 91 42.819 43.348 -0.529 1
1 926 . 6 1 1 A 91 91 LEU N N 91 119.302 118.876 0.426 1
1 927 . 6 1 1 A 92 92 GLY H H 92 7.717 7.959 -0.242 1
1 928 . 6 1 1 A 92 92 GLY HA2 H 92 3.258 4.124 -0.866 1
1 929 . 6 1 1 A 92 92 GLY HA3 H 92 4.121 4.198 -0.077 1
1 930 . 6 1 1 A 92 92 GLY CA C 92 45.183 45.739 -0.556 1
1 931 . 6 1 1 A 92 92 GLY N N 92 110.415 108.004 2.411 1
1 932 . 6 1 1 A 93 93 TYR H H 93 9.662 8.682 0.980 1
1 933 . 6 1 1 A 93 93 TYR HA H 93 4.513 4.283 0.230 1
1 940 . 6 1 1 A 93 93 TYR CA C 93 58.603 61.278 -2.675 1
1 941 . 6 1 1 A 93 93 TYR CB C 93 37.762 39.022 -1.260 1
1 942 . 6 1 1 A 93 93 TYR N N 93 126.998 122.503 4.495 1
1 943 . 6 1 1 A 94 94 GLY H H 94 8.467 7.929 0.538 1
1 944 . 6 1 1 A 94 94 GLY HA2 H 94 3.633 4.106 -0.473 1
1 945 . 6 1 1 A 94 94 GLY HA3 H 94 3.888 4.118 -0.230 1
1 946 . 6 1 1 A 94 94 GLY CA C 94 47.023 43.817 3.206 1
1 947 . 6 1 1 A 94 94 GLY N N 94 108.486 105.790 2.696 1
1 948 . 6 1 1 A 95 95 ALA H H 95 7.636 8.497 -0.861 1
1 949 . 6 1 1 A 95 95 ALA HA H 95 4.151 4.235 -0.084 1
1 953 . 6 1 1 A 95 95 ALA CA C 95 53.326 52.945 0.381 1
1 954 . 6 1 1 A 95 95 ALA CB C 95 18.831 18.825 0.006 1
1 955 . 6 1 1 A 96 96 ARG H H 96 7.910 7.736 0.174 1
1 956 . 6 1 1 A 96 96 ARG HA H 96 4.227 4.200 0.027 1
1 963 . 6 1 1 A 96 96 ARG CA C 96 57.514 56.416 1.098 1
1 964 . 6 1 1 A 96 96 ARG CB C 96 31.353 30.316 1.037 1
1 967 . 6 1 1 A 96 96 ARG N N 96 115.669 116.775 -1.106 1
1 968 . 6 1 1 A 97 97 GLY H H 97 6.917 7.893 -0.976 1
1 969 . 6 1 1 A 97 97 GLY HA2 H 97 3.272 4.005 -0.733 1
1 970 . 6 1 1 A 97 97 GLY HA3 H 97 3.908 4.040 -0.132 1
1 971 . 6 1 1 A 97 97 GLY CA C 97 44.693 44.905 -0.212 1
1 972 . 6 1 1 A 97 97 GLY N N 97 103.795 107.408 -3.613 1
1 973 . 6 1 1 A 98 98 ALA H H 98 8.187 8.590 -0.403 1
1 974 . 6 1 1 A 98 98 ALA HA H 98 4.287 4.636 -0.349 1
1 978 . 6 1 1 A 98 98 ALA CA C 98 52.717 52.096 0.621 1
1 979 . 6 1 1 A 98 98 ALA CB C 98 20.563 21.232 -0.669 1
1 980 . 6 1 1 A 98 98 ALA N N 98 118.770 121.932 -3.162 1
1 981 . 6 1 1 A 99 99 GLY H H 99 8.904 7.766 1.138 1
1 982 . 6 1 1 A 99 99 GLY HA2 H 99 3.670 4.035 -0.365 1
1 983 . 6 1 1 A 99 99 GLY HA3 H 99 3.854 4.041 -0.187 1
1 984 . 6 1 1 A 99 99 GLY CA C 99 46.848 45.731 1.117 1
1 985 . 6 1 1 A 99 99 GLY N N 99 109.717 104.254 5.463 1
1 986 . 6 1 1 A 100 100 GLY H H 100 8.759 8.981 -0.222 1
1 987 . 6 1 1 A 100 100 GLY HA2 H 100 3.719 3.802 -0.083 1
1 988 . 6 1 1 A 100 100 GLY HA3 H 100 4.041 3.804 0.237 1
1 989 . 6 1 1 A 100 100 GLY CA C 100 45.655 47.181 -1.526 1
1 990 . 6 1 1 A 100 100 GLY N N 100 110.895 108.905 1.990 1
1 991 . 6 1 1 A 101 101 VAL H H 101 7.631 7.779 -0.148 1
1 992 . 6 1 1 A 101 101 VAL HA H 101 4.226 4.093 0.133 1
1 1000 . 6 1 1 A 101 101 VAL CA C 101 62.518 64.587 -2.069 1
1 1001 . 6 1 1 A 101 101 VAL CB C 101 34.660 31.723 2.937 1
1 1004 . 6 1 1 A 101 101 VAL N N 101 115.165 119.347 -4.182 1
1 1005 . 6 1 1 A 102 102 ILE H H 102 7.686 7.655 0.031 1
1 1006 . 6 1 1 A 102 102 ILE HA H 102 4.351 4.409 -0.058 1
1 1016 . 6 1 1 A 102 102 ILE CA C 102 57.498 58.045 -0.547 1
1 1017 . 6 1 1 A 102 102 ILE CB C 102 38.189 38.528 -0.339 1
1 1021 . 6 1 1 A 102 102 ILE N N 102 120.043 125.071 -5.028 1
1 1022 . 6 1 1 A 103 103 PRO HA H 103 4.727 4.709 0.018 1
1 1029 . 6 1 1 A 103 103 PRO CA C 103 61.614 61.714 -0.100 1
1 1030 . 6 1 1 A 103 103 PRO CB C 103 31.055 32.514 -1.459 1
1 1033 . 6 1 1 A 104 104 PRO HA H 104 3.778 4.451 -0.673 1
1 1040 . 6 1 1 A 104 104 PRO CA C 104 63.599 64.755 -1.156 1
1 1041 . 6 1 1 A 104 104 PRO CB C 104 33.183 31.680 1.503 1
1 1044 . 6 1 1 A 105 105 ASN H H 105 8.581 8.228 0.353 1
1 1045 . 6 1 1 A 105 105 ASN HA H 105 3.928 5.027 -1.099 1
1 1050 . 6 1 1 A 105 105 ASN CA C 105 54.447 52.280 2.167 1
1 1051 . 6 1 1 A 105 105 ASN CB C 105 37.280 38.868 -1.588 1
1 1052 . 6 1 1 A 105 105 ASN N N 105 117.269 115.369 1.900 1
1 1054 . 6 1 1 A 106 106 ALA H H 106 7.637 7.171 0.466 1
1 1055 . 6 1 1 A 106 106 ALA HA H 106 4.456 4.369 0.087 1
1 1059 . 6 1 1 A 106 106 ALA CA C 106 52.493 52.452 0.041 1
1 1060 . 6 1 1 A 106 106 ALA CB C 106 20.938 19.675 1.263 1
1 1061 . 6 1 1 A 106 106 ALA N N 106 121.257 122.307 -1.050 1
1 1062 . 6 1 1 A 107 107 THR H H 107 8.492 8.419 0.073 1
1 1063 . 6 1 1 A 107 107 THR HA H 107 4.781 5.008 -0.227 1
1 1068 . 6 1 1 A 107 107 THR CA C 107 63.319 61.711 1.608 1
1 1069 . 6 1 1 A 107 107 THR CB C 107 69.430 70.762 -1.332 1
1 1071 . 6 1 1 A 107 107 THR N N 107 121.742 117.073 4.669 1
1 1072 . 6 1 1 A 108 108 LEU H H 108 8.900 8.838 0.062 1
1 1073 . 6 1 1 A 108 108 LEU HA H 108 5.132 5.225 -0.093 1
1 1083 . 6 1 1 A 108 108 LEU CA C 108 52.950 53.543 -0.593 1
1 1084 . 6 1 1 A 108 108 LEU CB C 108 46.730 44.678 2.052 1
1 1088 . 6 1 1 A 108 108 LEU N N 108 125.279 125.121 0.158 1
1 1089 . 6 1 1 A 109 109 VAL H H 109 8.933 8.630 0.303 1
1 1090 . 6 1 1 A 109 109 VAL HA H 109 5.532 4.666 0.866 1
1 1098 . 6 1 1 A 109 109 VAL CA C 109 60.793 61.209 -0.416 1
1 1099 . 6 1 1 A 109 109 VAL CB C 109 34.138 33.041 1.097 1
1 1102 . 6 1 1 A 109 109 VAL N N 109 122.496 123.935 -1.439 1
1 1103 . 6 1 1 A 110 110 PHE H H 110 9.737 8.976 0.761 1
1 1104 . 6 1 1 A 110 110 PHE HA H 110 6.457 5.304 1.153 1
1 1112 . 6 1 1 A 110 110 PHE CA C 110 55.265 56.107 -0.842 1
1 1113 . 6 1 1 A 110 110 PHE CB C 110 44.818 42.462 2.356 1
1 1114 . 6 1 1 A 110 110 PHE N N 110 121.114 125.739 -4.625 1
1 1115 . 6 1 1 A 111 111 GLU H H 111 9.223 8.528 0.695 1
1 1116 . 6 1 1 A 111 111 GLU HA H 111 5.202 4.753 0.449 1
1 1121 . 6 1 1 A 111 111 GLU CA C 111 56.709 54.927 1.782 1
1 1122 . 6 1 1 A 111 111 GLU CB C 111 32.338 30.925 1.413 1
1 1124 . 6 1 1 A 111 111 GLU N N 111 122.210 123.804 -1.594 1
1 1125 . 6 1 1 A 112 112 VAL H H 112 9.269 8.574 0.695 1
1 1126 . 6 1 1 A 112 112 VAL HA H 112 4.796 4.882 -0.086 1
1 1134 . 6 1 1 A 112 112 VAL CA C 112 61.127 60.880 0.247 1
1 1135 . 6 1 1 A 112 112 VAL CB C 112 34.634 34.545 0.089 1
1 1136 . 6 1 1 A 112 112 VAL N N 112 126.195 126.229 -0.034 1
1 1137 . 6 1 1 A 113 113 GLU H H 113 9.545 9.133 0.412 1
1 1138 . 6 1 1 A 113 113 GLU HA H 113 5.483 5.216 0.267 1
1 1143 . 6 1 1 A 113 113 GLU CA C 113 53.159 54.844 -1.685 1
1 1144 . 6 1 1 A 113 113 GLU CB C 113 32.657 31.403 1.254 1
1 1146 . 6 1 1 A 113 113 GLU N N 113 128.111 124.328 3.783 1
1 1147 . 6 1 1 A 114 114 LEU H H 114 8.261 8.628 -0.367 1
1 1148 . 6 1 1 A 114 114 LEU HA H 114 4.634 4.430 0.204 1
1 1158 . 6 1 1 A 114 114 LEU CA C 114 55.217 55.877 -0.660 1
1 1159 . 6 1 1 A 114 114 LEU CB C 114 41.826 42.502 -0.676 1
1 1163 . 6 1 1 A 114 114 LEU N N 114 126.273 127.450 -1.177 1
1 1164 . 6 1 1 A 115 115 LEU H H 115 9.258 8.983 0.275 1
1 1165 . 6 1 1 A 115 115 LEU HA H 115 4.453 4.339 0.114 1
1 1175 . 6 1 1 A 115 115 LEU CA C 115 55.791 56.615 -0.824 1
1 1176 . 6 1 1 A 115 115 LEU CB C 115 42.897 42.435 0.462 1
1 1180 . 6 1 1 A 115 115 LEU N N 115 130.031 128.127 1.904 1
1 1181 . 6 1 1 A 116 116 ASP H H 116 7.748 7.300 0.448 1
1 1182 . 6 1 1 A 116 116 ASP HA H 116 4.672 4.872 -0.200 1
1 1185 . 6 1 1 A 116 116 ASP CA C 116 54.385 53.778 0.607 1
1 1186 . 6 1 1 A 116 116 ASP CB C 116 43.828 44.073 -0.245 1
1 1187 . 6 1 1 A 116 116 ASP N N 116 115.338 113.498 1.840 1
1 1 . 7 1 1 A 3 3 GLY H H 3 8.684 8.029 0.655 1
1 2 . 7 1 1 A 3 3 GLY HA2 H 3 3.959 4.142 -0.183 1
1 3 . 7 1 1 A 3 3 GLY HA3 H 3 3.959 4.143 -0.184 1
1 4 . 7 1 1 A 3 3 GLY N N 3 110.167 112.356 -2.189 1
1 5 . 7 1 1 A 4 4 SER H H 4 8.315 8.517 -0.202 1
1 6 . 7 1 1 A 4 4 SER HA H 4 4.468 4.168 0.300 1
1 9 . 7 1 1 A 4 4 SER CA C 4 58.355 59.292 -0.937 1
1 10 . 7 1 1 A 4 4 SER N N 4 115.851 117.951 -2.100 1
1 11 . 7 1 1 A 5 5 MET H H 5 8.640 8.098 0.542 1
1 12 . 7 1 1 A 5 5 MET HA H 5 4.554 4.581 -0.027 1
1 17 . 7 1 1 A 5 5 MET CA C 5 55.754 54.632 1.122 1
1 18 . 7 1 1 A 5 5 MET CB C 5 32.870 30.930 1.940 1
1 20 . 7 1 1 A 5 5 MET N N 5 122.413 120.242 2.171 1
1 21 . 7 1 1 A 6 6 THR H H 6 8.265 7.668 0.597 1
1 22 . 7 1 1 A 6 6 THR HA H 6 4.296 5.388 -1.092 1
1 27 . 7 1 1 A 6 6 THR CA C 6 62.224 60.307 1.917 1
1 28 . 7 1 1 A 6 6 THR CB C 6 69.806 71.353 -1.547 1
1 30 . 7 1 1 A 6 6 THR N N 6 116.270 111.337 4.933 1
1 31 . 7 1 1 A 7 7 VAL H H 7 8.068 8.798 -0.730 1
1 32 . 7 1 1 A 7 7 VAL HA H 7 4.200 4.318 -0.118 1
1 40 . 7 1 1 A 7 7 VAL CA C 7 62.021 62.608 -0.587 1
1 41 . 7 1 1 A 7 7 VAL CB C 7 32.773 31.675 1.098 1
1 44 . 7 1 1 A 7 7 VAL N N 7 124.632 125.847 -1.215 1
1 45 . 7 1 1 A 8 8 VAL H H 8 8.985 8.179 0.806 1
1 46 . 7 1 1 A 8 8 VAL HA H 8 3.872 4.516 -0.644 1
1 54 . 7 1 1 A 8 8 VAL CA C 8 61.848 61.091 0.757 1
1 55 . 7 1 1 A 8 8 VAL CB C 8 33.157 32.769 0.388 1
1 58 . 7 1 1 A 8 8 VAL N N 8 132.503 128.837 3.666 1
1 59 . 7 1 1 A 9 9 THR H H 9 8.213 8.795 -0.582 1
1 60 . 7 1 1 A 9 9 THR HA H 9 5.250 4.969 0.281 1
1 65 . 7 1 1 A 9 9 THR CA C 9 61.040 61.704 -0.664 1
1 66 . 7 1 1 A 9 9 THR CB C 9 69.773 71.090 -1.317 1
1 68 . 7 1 1 A 9 9 THR N N 9 121.386 122.722 -1.336 1
1 69 . 7 1 1 A 10 10 THR H H 10 9.318 8.636 0.682 1
1 70 . 7 1 1 A 10 10 THR HA H 10 4.693 4.878 -0.185 1
1 75 . 7 1 1 A 10 10 THR CA C 10 60.077 60.212 -0.135 1
1 76 . 7 1 1 A 10 10 THR CB C 10 70.131 70.948 -0.817 1
1 78 . 7 1 1 A 10 10 THR N N 10 119.882 115.205 4.677 1
1 79 . 7 1 1 A 11 11 GLU H H 11 9.051 8.856 0.195 1
1 80 . 7 1 1 A 11 11 GLU HA H 11 4.028 4.087 -0.059 1
1 85 . 7 1 1 A 11 11 GLU CA C 11 59.072 59.370 -0.298 1
1 86 . 7 1 1 A 11 11 GLU CB C 11 29.516 29.202 0.314 1
1 88 . 7 1 1 A 11 11 GLU N N 11 120.586 121.003 -0.417 1
1 89 . 7 1 1 A 12 12 SER H H 12 8.445 7.934 0.511 1
1 90 . 7 1 1 A 12 12 SER HA H 12 4.302 4.425 -0.123 1
1 93 . 7 1 1 A 12 12 SER CA C 12 58.483 59.531 -1.048 1
1 94 . 7 1 1 A 12 12 SER CB C 12 63.034 64.500 -1.466 1
1 95 . 7 1 1 A 12 12 SER N N 12 114.574 112.634 1.940 1
1 96 . 7 1 1 A 13 13 GLY H H 13 7.798 7.498 0.300 1
1 97 . 7 1 1 A 13 13 GLY HA2 H 13 3.425 4.062 -0.637 1
1 98 . 7 1 1 A 13 13 GLY HA3 H 13 4.401 4.066 0.335 1
1 99 . 7 1 1 A 13 13 GLY CA C 13 44.276 45.286 -1.010 1
1 100 . 7 1 1 A 13 13 GLY N N 13 109.024 110.012 -0.988 1
1 101 . 7 1 1 A 14 14 LEU H H 14 7.501 7.843 -0.342 1
1 102 . 7 1 1 A 14 14 LEU HA H 14 3.967 4.531 -0.564 1
1 112 . 7 1 1 A 14 14 LEU CA C 14 56.343 55.810 0.533 1
1 113 . 7 1 1 A 14 14 LEU CB C 14 41.856 42.754 -0.898 1
1 117 . 7 1 1 A 14 14 LEU N N 14 123.870 123.281 0.589 1
1 118 . 7 1 1 A 15 15 LYS H H 15 7.812 8.345 -0.533 1
1 119 . 7 1 1 A 15 15 LYS HA H 15 5.942 5.277 0.665 1
1 127 . 7 1 1 A 15 15 LYS CA C 15 54.052 54.441 -0.389 1
1 128 . 7 1 1 A 15 15 LYS CB C 15 36.289 35.767 0.522 1
1 132 . 7 1 1 A 15 15 LYS N N 15 123.667 125.130 -1.463 1
1 133 . 7 1 1 A 16 16 TYR H H 16 9.289 8.978 0.311 1
1 134 . 7 1 1 A 16 16 TYR HA H 16 5.996 5.456 0.540 1
1 141 . 7 1 1 A 16 16 TYR CA C 16 55.784 56.236 -0.452 1
1 142 . 7 1 1 A 16 16 TYR CB C 16 43.297 42.060 1.237 1
1 143 . 7 1 1 A 16 16 TYR N N 16 117.890 117.699 0.191 1
1 144 . 7 1 1 A 17 17 GLU H H 17 8.728 8.936 -0.208 1
1 145 . 7 1 1 A 17 17 GLU HA H 17 4.860 4.702 0.158 1
1 150 . 7 1 1 A 17 17 GLU CA C 17 54.072 54.872 -0.800 1
1 151 . 7 1 1 A 17 17 GLU CB C 17 35.222 33.392 1.830 1
1 152 . 7 1 1 A 17 17 GLU N N 17 118.386 121.080 -2.694 1
1 153 . 7 1 1 A 18 18 ASP H H 18 9.596 8.922 0.674 1
1 154 . 7 1 1 A 18 18 ASP HA H 18 5.296 4.774 0.522 1
1 157 . 7 1 1 A 18 18 ASP CA C 18 55.695 54.807 0.888 1
1 158 . 7 1 1 A 18 18 ASP CB C 18 40.940 41.240 -0.300 1
1 159 . 7 1 1 A 18 18 ASP N N 18 127.059 125.933 1.126 1
1 160 . 7 1 1 A 19 19 LEU H H 19 8.609 9.119 -0.510 1
1 161 . 7 1 1 A 19 19 LEU HA H 19 4.275 4.555 -0.280 1
1 171 . 7 1 1 A 19 19 LEU CA C 19 56.923 55.849 1.074 1
1 172 . 7 1 1 A 19 19 LEU CB C 19 41.074 43.730 -2.656 1
1 176 . 7 1 1 A 19 19 LEU N N 19 128.620 124.352 4.268 1
1 177 . 7 1 1 A 20 20 THR H H 20 8.136 8.064 0.072 1
1 178 . 7 1 1 A 20 20 THR HA H 20 4.400 4.825 -0.425 1
1 183 . 7 1 1 A 20 20 THR CA C 20 61.835 61.379 0.456 1
1 184 . 7 1 1 A 20 20 THR CB C 20 72.411 71.813 0.598 1
1 186 . 7 1 1 A 20 20 THR N N 20 112.473 111.851 0.622 1
1 187 . 7 1 1 A 21 21 GLU H H 21 9.354 8.799 0.555 1
1 188 . 7 1 1 A 21 21 GLU HA H 21 4.370 4.296 0.074 1
1 193 . 7 1 1 A 21 21 GLU CA C 21 56.277 55.864 0.413 1
1 194 . 7 1 1 A 21 21 GLU CB C 21 30.368 30.413 -0.045 1
1 196 . 7 1 1 A 21 21 GLU N N 21 130.043 126.182 3.861 1
1 197 . 7 1 1 A 22 22 GLY H H 22 9.071 8.469 0.602 1
1 198 . 7 1 1 A 22 22 GLY HA2 H 22 3.446 4.113 -0.667 1
1 199 . 7 1 1 A 22 22 GLY HA3 H 22 3.742 4.114 -0.372 1
1 200 . 7 1 1 A 22 22 GLY CA C 22 45.343 45.692 -0.349 1
1 201 . 7 1 1 A 22 22 GLY N N 22 113.930 109.417 4.513 1
1 202 . 7 1 1 A 23 23 SER H H 23 8.040 8.271 -0.231 1
1 203 . 7 1 1 A 23 23 SER HA H 23 4.671 4.113 0.558 1
1 206 . 7 1 1 A 23 23 SER CA C 23 57.488 59.116 -1.628 1
1 207 . 7 1 1 A 23 23 SER CB C 23 65.069 61.587 3.482 1
1 208 . 7 1 1 A 23 23 SER N N 23 111.747 115.206 -3.459 1
1 209 . 7 1 1 A 24 24 GLY H H 24 8.418 7.961 0.457 1
1 210 . 7 1 1 A 24 24 GLY HA2 H 24 3.693 4.142 -0.449 1
1 211 . 7 1 1 A 24 24 GLY HA3 H 24 4.328 4.143 0.185 1
1 212 . 7 1 1 A 24 24 GLY CA C 24 44.138 45.318 -1.180 1
1 213 . 7 1 1 A 24 24 GLY N N 24 111.391 107.544 3.847 1
1 214 . 7 1 1 A 25 25 ALA H H 25 8.342 8.345 -0.003 1
1 215 . 7 1 1 A 25 25 ALA HA H 25 4.061 4.818 -0.757 1
1 219 . 7 1 1 A 25 25 ALA CA C 25 52.551 50.816 1.735 1
1 220 . 7 1 1 A 25 25 ALA CB C 25 19.752 20.487 -0.735 1
1 221 . 7 1 1 A 25 25 ALA N N 25 123.675 124.043 -0.368 1
1 222 . 7 1 1 A 26 26 GLU H H 26 8.194 8.565 -0.371 1
1 223 . 7 1 1 A 26 26 GLU HA H 26 4.498 4.685 -0.187 1
1 228 . 7 1 1 A 26 26 GLU CA C 26 55.174 56.116 -0.942 1
1 229 . 7 1 1 A 26 26 GLU CB C 26 31.906 30.780 1.126 1
1 231 . 7 1 1 A 26 26 GLU N N 26 119.186 122.613 -3.427 1
1 232 . 7 1 1 A 27 27 ALA H H 27 8.930 8.231 0.699 1
1 233 . 7 1 1 A 27 27 ALA HA H 27 4.527 4.232 0.295 1
1 237 . 7 1 1 A 27 27 ALA CA C 27 51.815 52.911 -1.096 1
1 238 . 7 1 1 A 27 27 ALA CB C 27 19.057 19.374 -0.317 1
1 239 . 7 1 1 A 27 27 ALA N N 27 127.513 126.895 0.618 1
1 240 . 7 1 1 A 28 28 ARG H H 28 8.348 8.734 -0.386 1
1 241 . 7 1 1 A 28 28 ARG HA H 28 4.563 4.907 -0.344 1
1 246 . 7 1 1 A 28 28 ARG CA C 28 53.584 54.156 -0.572 1
1 247 . 7 1 1 A 28 28 ARG CB C 28 33.571 33.639 -0.068 1
1 250 . 7 1 1 A 28 28 ARG N N 28 124.054 120.474 3.580 1
1 251 . 7 1 1 A 29 29 ALA H H 29 8.387 8.596 -0.209 1
1 252 . 7 1 1 A 29 29 ALA HA H 29 3.594 3.924 -0.330 1
1 256 . 7 1 1 A 29 29 ALA CA C 29 53.535 53.947 -0.412 1
1 257 . 7 1 1 A 29 29 ALA CB C 29 17.781 18.423 -0.642 1
1 258 . 7 1 1 A 29 29 ALA N N 29 122.289 126.256 -3.967 1
1 259 . 7 1 1 A 30 30 GLY H H 30 9.043 8.935 0.108 1
1 260 . 7 1 1 A 30 30 GLY HA2 H 30 3.451 4.011 -0.560 1
1 261 . 7 1 1 A 30 30 GLY HA3 H 30 4.378 4.013 0.365 1
1 262 . 7 1 1 A 30 30 GLY CA C 30 44.562 45.077 -0.515 1
1 263 . 7 1 1 A 30 30 GLY N N 30 110.956 111.119 -0.163 1
1 264 . 7 1 1 A 31 31 GLN H H 31 7.620 7.664 -0.044 1
1 265 . 7 1 1 A 31 31 GLN HA H 31 4.343 4.619 -0.276 1
1 272 . 7 1 1 A 31 31 GLN CA C 31 55.410 55.105 0.305 1
1 273 . 7 1 1 A 31 31 GLN CB C 31 30.151 30.375 -0.224 1
1 275 . 7 1 1 A 31 31 GLN N N 31 119.756 118.577 1.179 1
1 277 . 7 1 1 A 32 32 THR H H 32 8.793 8.531 0.262 1
1 278 . 7 1 1 A 32 32 THR HA H 32 4.463 4.983 -0.520 1
1 283 . 7 1 1 A 32 32 THR CA C 32 63.072 62.191 0.881 1
1 284 . 7 1 1 A 32 32 THR CB C 32 68.380 70.271 -1.891 1
1 286 . 7 1 1 A 32 32 THR N N 32 119.718 118.089 1.629 1
1 287 . 7 1 1 A 33 33 VAL H H 33 8.393 8.918 -0.525 1
1 288 . 7 1 1 A 33 33 VAL HA H 33 4.712 4.955 -0.243 1
1 296 . 7 1 1 A 33 33 VAL CA C 33 58.274 58.909 -0.635 1
1 297 . 7 1 1 A 33 33 VAL CB C 33 33.309 35.845 -2.536 1
1 300 . 7 1 1 A 33 33 VAL N N 33 120.513 120.006 0.507 1
1 301 . 7 1 1 A 34 34 SER H H 34 7.865 9.103 -1.238 1
1 302 . 7 1 1 A 34 34 SER HA H 34 5.262 5.190 0.072 1
1 305 . 7 1 1 A 34 34 SER CA C 34 56.443 56.849 -0.406 1
1 306 . 7 1 1 A 34 34 SER CB C 34 64.882 64.409 0.473 1
1 307 . 7 1 1 A 34 34 SER N N 34 113.652 118.228 -4.576 1
1 308 . 7 1 1 A 35 35 VAL H H 35 9.531 9.207 0.324 1
1 309 . 7 1 1 A 35 35 VAL HA H 35 5.715 5.170 0.545 1
1 317 . 7 1 1 A 35 35 VAL CA C 35 58.226 59.049 -0.823 1
1 318 . 7 1 1 A 35 35 VAL CB C 35 35.412 36.268 -0.856 1
1 321 . 7 1 1 A 35 35 VAL N N 35 117.985 120.247 -2.262 1
1 322 . 7 1 1 A 36 36 HIS H H 36 8.812 8.784 0.028 1
1 323 . 7 1 1 A 36 36 HIS HA H 36 5.784 5.593 0.191 1
1 328 . 7 1 1 A 36 36 HIS CA C 36 54.671 53.797 0.874 1
1 329 . 7 1 1 A 36 36 HIS CB C 36 35.786 32.334 3.452 1
1 330 . 7 1 1 A 36 36 HIS N N 36 118.227 119.673 -1.446 1
1 331 . 7 1 1 A 37 37 TYR H H 37 9.680 8.665 1.015 1
1 332 . 7 1 1 A 37 37 TYR HA H 37 6.201 6.003 0.198 1
1 339 . 7 1 1 A 37 37 TYR CA C 37 56.280 55.181 1.099 1
1 340 . 7 1 1 A 37 37 TYR CB C 37 43.791 41.746 2.045 1
1 341 . 7 1 1 A 37 37 TYR N N 37 116.878 119.884 -3.006 1
1 342 . 7 1 1 A 38 38 THR H H 38 8.478 8.487 -0.009 1
1 343 . 7 1 1 A 38 38 THR HA H 38 4.374 4.825 -0.451 1
1 348 . 7 1 1 A 38 38 THR CA C 38 62.692 60.215 2.477 1
1 349 . 7 1 1 A 38 38 THR CB C 38 71.675 71.501 0.174 1
1 351 . 7 1 1 A 38 38 THR N N 38 117.172 115.849 1.323 1
1 352 . 7 1 1 A 39 39 GLY H H 39 8.332 8.788 -0.456 1
1 353 . 7 1 1 A 39 39 GLY HA2 H 39 1.943 2.408 -0.465 1
1 354 . 7 1 1 A 39 39 GLY HA3 H 39 4.624 3.143 1.481 1
1 355 . 7 1 1 A 39 39 GLY CA C 39 44.767 43.730 1.037 1
1 356 . 7 1 1 A 39 39 GLY N N 39 113.042 112.386 0.656 1
1 357 . 7 1 1 A 40 40 TRP H H 40 9.669 8.753 0.916 1
1 358 . 7 1 1 A 40 40 TRP HA H 40 5.499 5.681 -0.182 1
1 366 . 7 1 1 A 40 40 TRP CA C 40 57.026 55.879 1.147 1
1 367 . 7 1 1 A 40 40 TRP CB C 40 34.177 33.716 0.461 1
1 368 . 7 1 1 A 40 40 TRP N N 40 123.550 125.471 -1.921 1
1 370 . 7 1 1 A 41 41 LEU H H 41 8.699 9.160 -0.461 1
1 371 . 7 1 1 A 41 41 LEU HA H 41 5.056 4.943 0.113 1
1 381 . 7 1 1 A 41 41 LEU CA C 41 54.040 53.666 0.374 1
1 382 . 7 1 1 A 41 41 LEU CB C 41 41.981 43.315 -1.334 1
1 386 . 7 1 1 A 41 41 LEU N N 41 119.318 122.288 -2.970 1
1 387 . 7 1 1 A 42 42 THR H H 42 9.418 8.816 0.602 1
1 388 . 7 1 1 A 42 42 THR HA H 42 3.962 4.193 -0.231 1
1 393 . 7 1 1 A 42 42 THR CA C 42 65.117 64.542 0.575 1
1 394 . 7 1 1 A 42 42 THR CB C 42 68.693 68.758 -0.065 1
1 396 . 7 1 1 A 42 42 THR N N 42 112.465 115.768 -3.303 1
1 397 . 7 1 1 A 43 43 ASP H H 43 7.690 7.815 -0.125 1
1 398 . 7 1 1 A 43 43 ASP HA H 43 4.538 4.704 -0.166 1
1 401 . 7 1 1 A 43 43 ASP CA C 43 53.655 53.997 -0.342 1
1 402 . 7 1 1 A 43 43 ASP CB C 43 40.109 41.764 -1.655 1
1 403 . 7 1 1 A 43 43 ASP N N 43 118.952 120.459 -1.507 1
1 404 . 7 1 1 A 44 44 GLY H H 44 8.043 7.694 0.349 1
1 405 . 7 1 1 A 44 44 GLY HA2 H 44 3.521 3.973 -0.452 1
1 406 . 7 1 1 A 44 44 GLY HA3 H 44 4.318 4.011 0.307 1
1 407 . 7 1 1 A 44 44 GLY CA C 44 44.869 45.041 -0.172 1
1 408 . 7 1 1 A 44 44 GLY N N 44 107.790 105.713 2.077 1
1 409 . 7 1 1 A 45 45 GLN H H 45 8.355 7.888 0.467 1
1 410 . 7 1 1 A 45 45 GLN HA H 45 4.319 4.260 0.059 1
1 417 . 7 1 1 A 45 45 GLN CA C 45 56.909 56.854 0.055 1
1 418 . 7 1 1 A 45 45 GLN CB C 45 29.837 30.026 -0.189 1
1 420 . 7 1 1 A 45 45 GLN N N 45 121.541 120.813 0.728 1
1 422 . 7 1 1 A 46 46 LYS H H 46 8.915 8.640 0.275 1
1 423 . 7 1 1 A 46 46 LYS HA H 46 4.454 5.255 -0.801 1
1 432 . 7 1 1 A 46 46 LYS CA C 46 55.782 55.082 0.700 1
1 433 . 7 1 1 A 46 46 LYS CB C 46 33.097 35.227 -2.130 1
1 437 . 7 1 1 A 46 46 LYS N N 46 129.310 124.084 5.226 1
1 438 . 7 1 1 A 47 47 PHE H H 47 8.440 8.885 -0.445 1
1 439 . 7 1 1 A 47 47 PHE HA H 47 5.103 4.991 0.112 1
1 447 . 7 1 1 A 47 47 PHE CA C 47 56.272 56.617 -0.345 1
1 448 . 7 1 1 A 47 47 PHE CB C 47 41.094 40.476 0.618 1
1 449 . 7 1 1 A 47 47 PHE N N 47 122.874 122.822 0.052 1
1 450 . 7 1 1 A 48 48 ASP H H 48 6.744 7.571 -0.827 1
1 451 . 7 1 1 A 48 48 ASP HA H 48 4.790 4.905 -0.115 1
1 454 . 7 1 1 A 48 48 ASP CA C 48 54.518 54.268 0.250 1
1 455 . 7 1 1 A 48 48 ASP CB C 48 43.929 44.145 -0.216 1
1 456 . 7 1 1 A 48 48 ASP N N 48 118.152 119.953 -1.801 1
1 457 . 7 1 1 A 49 49 SER H H 49 8.122 8.548 -0.426 1
1 458 . 7 1 1 A 49 49 SER HA H 49 4.608 4.918 -0.310 1
1 461 . 7 1 1 A 49 49 SER CA C 49 56.963 56.764 0.199 1
1 462 . 7 1 1 A 49 49 SER CB C 49 64.699 66.362 -1.663 1
1 463 . 7 1 1 A 49 49 SER N N 49 117.585 117.902 -0.317 1
1 464 . 7 1 1 A 50 50 SER H H 50 8.020 8.417 -0.397 1
1 465 . 7 1 1 A 50 50 SER HA H 50 4.045 3.946 0.099 1
1 468 . 7 1 1 A 50 50 SER CA C 50 61.482 60.653 0.829 1
1 469 . 7 1 1 A 50 50 SER CB C 50 61.488 62.433 -0.945 1
1 470 . 7 1 1 A 50 50 SER N N 50 124.801 119.693 5.108 1
1 471 . 7 1 1 A 51 51 LYS H H 51 7.730 7.916 -0.186 1
1 472 . 7 1 1 A 51 51 LYS HA H 51 3.505 4.014 -0.509 1
1 481 . 7 1 1 A 51 51 LYS CA C 51 58.921 59.065 -0.144 1
1 482 . 7 1 1 A 51 51 LYS CB C 51 31.346 31.982 -0.636 1
1 486 . 7 1 1 A 51 51 LYS N N 51 124.103 120.785 3.318 1
1 487 . 7 1 1 A 52 52 ASP H H 52 7.324 8.229 -0.905 1
1 488 . 7 1 1 A 52 52 ASP HA H 52 4.284 4.296 -0.012 1
1 491 . 7 1 1 A 52 52 ASP CA C 52 56.524 57.668 -1.144 1
1 492 . 7 1 1 A 52 52 ASP CB C 52 40.201 41.900 -1.699 1
1 493 . 7 1 1 A 52 52 ASP N N 52 118.971 119.652 -0.681 1
1 494 . 7 1 1 A 53 53 ARG H H 53 6.923 7.597 -0.674 1
1 495 . 7 1 1 A 53 53 ARG HA H 53 4.461 4.298 0.163 1
1 502 . 7 1 1 A 53 53 ARG CA C 53 55.597 58.122 -2.525 1
1 503 . 7 1 1 A 53 53 ARG CB C 53 31.289 30.766 0.523 1
1 506 . 7 1 1 A 53 53 ARG N N 53 114.803 119.489 -4.686 1
1 507 . 7 1 1 A 54 54 ASN H H 54 7.827 8.174 -0.347 1
1 508 . 7 1 1 A 54 54 ASN HA H 54 4.352 4.404 -0.052 1
1 513 . 7 1 1 A 54 54 ASN CA C 54 54.339 54.111 0.228 1
1 514 . 7 1 1 A 54 54 ASN CB C 54 37.849 37.173 0.676 1
1 515 . 7 1 1 A 54 54 ASN N N 54 117.421 117.860 -0.439 1
1 517 . 7 1 1 A 55 55 ASP H H 55 7.580 7.868 -0.288 1
1 518 . 7 1 1 A 55 55 ASP HA H 55 5.360 5.075 0.285 1
1 521 . 7 1 1 A 55 55 ASP CA C 55 51.697 51.676 0.021 1
1 522 . 7 1 1 A 55 55 ASP CB C 55 43.377 44.294 -0.917 1
1 523 . 7 1 1 A 55 55 ASP N N 55 115.802 119.683 -3.881 1
1 524 . 7 1 1 A 56 56 PRO HA H 56 4.022 3.563 0.459 1
1 531 . 7 1 1 A 56 56 PRO CA C 56 63.115 62.330 0.785 1
1 532 . 7 1 1 A 56 56 PRO CB C 56 32.348 32.351 -0.003 1
1 535 . 7 1 1 A 57 57 PHE H H 57 9.207 8.333 0.874 1
1 536 . 7 1 1 A 57 57 PHE HA H 57 4.874 4.683 0.191 1
1 544 . 7 1 1 A 57 57 PHE CA C 57 57.290 57.384 -0.094 1
1 545 . 7 1 1 A 57 57 PHE CB C 57 42.517 39.479 3.038 1
1 546 . 7 1 1 A 57 57 PHE N N 57 124.509 123.077 1.432 1
1 547 . 7 1 1 A 58 58 ALA H H 58 7.942 8.838 -0.896 1
1 548 . 7 1 1 A 58 58 ALA HA H 58 5.928 5.469 0.459 1
1 552 . 7 1 1 A 58 58 ALA CA C 58 49.705 50.398 -0.693 1
1 553 . 7 1 1 A 58 58 ALA CB C 58 21.621 21.301 0.320 1
1 554 . 7 1 1 A 58 58 ALA N N 58 130.661 130.047 0.614 1
1 555 . 7 1 1 A 59 59 PHE H H 59 8.455 8.498 -0.043 1
1 556 . 7 1 1 A 59 59 PHE HA H 59 4.660 5.028 -0.368 1
1 564 . 7 1 1 A 59 59 PHE CA C 59 55.610 55.974 -0.364 1
1 565 . 7 1 1 A 59 59 PHE CB C 59 40.857 40.746 0.111 1
1 566 . 7 1 1 A 59 59 PHE N N 59 114.967 117.247 -2.280 1
1 567 . 7 1 1 A 60 60 VAL H H 60 8.168 8.750 -0.582 1
1 568 . 7 1 1 A 60 60 VAL HA H 60 4.084 4.799 -0.715 1
1 576 . 7 1 1 A 60 60 VAL CA C 60 61.907 59.816 2.091 1
1 577 . 7 1 1 A 60 60 VAL CB C 60 31.564 34.086 -2.522 1
1 580 . 7 1 1 A 60 60 VAL N N 60 120.308 120.328 -0.020 1
1 581 . 7 1 1 A 61 61 LEU H H 61 8.900 8.386 0.514 1
1 582 . 7 1 1 A 61 61 LEU HA H 61 4.248 4.016 0.232 1
1 592 . 7 1 1 A 61 61 LEU CA C 61 56.558 56.099 0.459 1
1 593 . 7 1 1 A 61 61 LEU CB C 61 41.736 41.969 -0.233 1
1 597 . 7 1 1 A 61 61 LEU N N 61 134.513 128.971 5.542 1
1 598 . 7 1 1 A 62 62 GLY H H 62 9.652 8.867 0.785 1
1 599 . 7 1 1 A 62 62 GLY HA2 H 62 3.558 4.017 -0.459 1
1 600 . 7 1 1 A 62 62 GLY HA3 H 62 4.154 4.041 0.113 1
1 601 . 7 1 1 A 62 62 GLY CA C 62 45.721 45.829 -0.108 1
1 602 . 7 1 1 A 62 62 GLY N N 62 119.352 114.434 4.918 1
1 603 . 7 1 1 A 63 63 GLY H H 63 8.338 7.893 0.445 1
1 604 . 7 1 1 A 63 63 GLY HA2 H 63 3.557 4.020 -0.463 1
1 605 . 7 1 1 A 63 63 GLY HA3 H 63 4.298 4.064 0.234 1
1 606 . 7 1 1 A 63 63 GLY CA C 63 45.442 46.790 -1.348 1
1 607 . 7 1 1 A 63 63 GLY N N 63 107.002 108.263 -1.261 1
1 608 . 7 1 1 A 64 64 GLY H H 64 9.301 8.013 1.288 1
1 609 . 7 1 1 A 64 64 GLY HA2 H 64 4.057 4.013 0.044 1
1 610 . 7 1 1 A 64 64 GLY HA3 H 64 4.057 4.014 0.043 1
1 611 . 7 1 1 A 64 64 GLY CA C 64 46.425 45.681 0.744 1
1 612 . 7 1 1 A 64 64 GLY N N 64 112.092 107.324 4.768 1
1 613 . 7 1 1 A 65 65 MET H H 65 9.574 8.015 1.559 1
1 614 . 7 1 1 A 65 65 MET HA H 65 4.546 4.593 -0.047 1
1 619 . 7 1 1 A 65 65 MET CA C 65 55.641 55.736 -0.095 1
1 620 . 7 1 1 A 65 65 MET CB C 65 33.268 34.516 -1.248 1
1 622 . 7 1 1 A 65 65 MET N N 65 118.659 120.452 -1.793 1
1 623 . 7 1 1 A 66 66 VAL H H 66 6.867 7.319 -0.452 1
1 624 . 7 1 1 A 66 66 VAL HA H 66 4.454 4.193 0.261 1
1 632 . 7 1 1 A 66 66 VAL CA C 66 57.545 59.577 -2.032 1
1 633 . 7 1 1 A 66 66 VAL CB C 66 35.736 33.934 1.802 1
1 636 . 7 1 1 A 66 66 VAL N N 66 108.649 115.887 -7.238 1
1 637 . 7 1 1 A 67 67 ILE H H 67 7.158 7.937 -0.779 1
1 638 . 7 1 1 A 67 67 ILE HA H 67 3.894 4.303 -0.409 1
1 648 . 7 1 1 A 67 67 ILE CA C 67 62.065 60.203 1.862 1
1 649 . 7 1 1 A 67 67 ILE CB C 67 37.130 39.813 -2.683 1
1 653 . 7 1 1 A 67 67 ILE N N 67 111.614 117.779 -6.165 1
1 654 . 7 1 1 A 68 68 LYS H H 68 9.182 8.910 0.272 1
1 655 . 7 1 1 A 68 68 LYS HA H 68 4.241 3.933 0.308 1
1 664 . 7 1 1 A 68 68 LYS CA C 68 60.042 59.579 0.463 1
1 665 . 7 1 1 A 68 68 LYS CB C 68 33.366 32.206 1.160 1
1 669 . 7 1 1 A 68 68 LYS N N 68 125.685 123.307 2.378 1
1 670 . 7 1 1 A 69 69 GLY H H 69 9.653 8.307 1.346 1
1 671 . 7 1 1 A 69 69 GLY HA2 H 69 3.595 3.819 -0.224 1
1 672 . 7 1 1 A 69 69 GLY HA3 H 69 3.971 3.830 0.141 1
1 673 . 7 1 1 A 69 69 GLY CA C 69 47.597 47.366 0.231 1
1 674 . 7 1 1 A 69 69 GLY N N 69 102.438 106.966 -4.528 1
1 675 . 7 1 1 A 70 70 TRP H H 70 7.745 7.930 -0.185 1
1 676 . 7 1 1 A 70 70 TRP HA H 70 4.152 4.629 -0.477 1
1 684 . 7 1 1 A 70 70 TRP CA C 70 60.737 60.349 0.388 1
1 685 . 7 1 1 A 70 70 TRP CB C 70 29.185 28.146 1.039 1
1 686 . 7 1 1 A 70 70 TRP N N 70 120.118 121.583 -1.465 1
1 687 . 7 1 1 A 71 71 ASP H H 71 7.058 8.330 -1.272 1
1 688 . 7 1 1 A 71 71 ASP HA H 71 4.878 4.348 0.530 1
1 691 . 7 1 1 A 71 71 ASP CA C 71 57.165 57.372 -0.207 1
1 692 . 7 1 1 A 71 71 ASP CB C 71 40.749 40.494 0.255 1
1 693 . 7 1 1 A 71 71 ASP N N 71 120.287 119.404 0.883 1
1 694 . 7 1 1 A 72 72 GLU H H 72 7.856 8.848 -0.992 1
1 695 . 7 1 1 A 72 72 GLU HA H 72 4.120 4.076 0.044 1
1 700 . 7 1 1 A 72 72 GLU CA C 72 58.236 59.374 -1.138 1
1 701 . 7 1 1 A 72 72 GLU CB C 72 30.409 29.088 1.321 1
1 703 . 7 1 1 A 72 72 GLU N N 72 114.126 118.628 -4.502 1
1 704 . 7 1 1 A 73 73 GLY H H 73 7.732 8.132 -0.400 1
1 705 . 7 1 1 A 73 73 GLY HA2 H 73 3.565 3.632 -0.067 1
1 706 . 7 1 1 A 73 73 GLY HA3 H 73 3.565 3.645 -0.080 1
1 707 . 7 1 1 A 73 73 GLY CA C 73 47.427 47.422 0.005 1
1 708 . 7 1 1 A 73 73 GLY N N 73 104.848 108.128 -3.280 1
1 709 . 7 1 1 A 74 74 VAL H H 74 8.138 8.362 -0.224 1
1 710 . 7 1 1 A 74 74 VAL HA H 74 3.630 3.770 -0.140 1
1 718 . 7 1 1 A 74 74 VAL CA C 74 63.679 65.782 -2.103 1
1 719 . 7 1 1 A 74 74 VAL CB C 74 31.206 31.337 -0.131 1
1 722 . 7 1 1 A 74 74 VAL N N 74 117.660 121.795 -4.135 1
1 723 . 7 1 1 A 75 75 GLN H H 75 6.431 8.028 -1.597 1
1 724 . 7 1 1 A 75 75 GLN HA H 75 3.598 4.218 -0.620 1
1 731 . 7 1 1 A 75 75 GLN CA C 75 58.343 57.782 0.561 1
1 732 . 7 1 1 A 75 75 GLN CB C 75 28.747 28.390 0.357 1
1 734 . 7 1 1 A 75 75 GLN N N 75 116.376 119.391 -3.015 1
1 736 . 7 1 1 A 76 76 GLY H H 76 8.577 7.606 0.971 1
1 737 . 7 1 1 A 76 76 GLY HA2 H 76 3.647 4.021 -0.374 1
1 738 . 7 1 1 A 76 76 GLY HA3 H 76 4.510 4.029 0.481 1
1 739 . 7 1 1 A 76 76 GLY CA C 76 45.092 45.372 -0.280 1
1 740 . 7 1 1 A 76 76 GLY N N 76 111.539 107.441 4.098 1
1 741 . 7 1 1 A 77 77 MET H H 77 7.609 7.634 -0.025 1
1 742 . 7 1 1 A 77 77 MET HA H 77 3.948 4.395 -0.447 1
1 747 . 7 1 1 A 77 77 MET CA C 77 58.260 55.878 2.382 1
1 748 . 7 1 1 A 77 77 MET CB C 77 34.641 32.990 1.651 1
1 750 . 7 1 1 A 77 77 MET N N 77 119.140 118.927 0.213 1
1 751 . 7 1 1 A 78 78 LYS H H 78 8.348 8.789 -0.441 1
1 752 . 7 1 1 A 78 78 LYS HA H 78 5.015 5.066 -0.051 1
1 761 . 7 1 1 A 78 78 LYS CA C 78 54.136 54.280 -0.144 1
1 762 . 7 1 1 A 78 78 LYS CB C 78 34.944 35.350 -0.406 1
1 766 . 7 1 1 A 78 78 LYS N N 78 119.308 120.996 -1.688 1
1 767 . 7 1 1 A 79 79 VAL H H 79 8.622 8.905 -0.283 1
1 768 . 7 1 1 A 79 79 VAL HA H 79 3.160 3.503 -0.343 1
1 776 . 7 1 1 A 79 79 VAL CA C 79 66.585 65.479 1.106 1
1 777 . 7 1 1 A 79 79 VAL CB C 79 31.690 31.303 0.387 1
1 780 . 7 1 1 A 79 79 VAL N N 79 123.215 122.672 0.543 1
1 781 . 7 1 1 A 80 80 GLY H H 80 8.623 8.867 -0.244 1
1 782 . 7 1 1 A 80 80 GLY HA2 H 80 3.901 4.028 -0.127 1
1 783 . 7 1 1 A 80 80 GLY HA3 H 80 4.654 4.034 0.620 1
1 784 . 7 1 1 A 80 80 GLY CA C 80 44.457 45.147 -0.690 1
1 785 . 7 1 1 A 80 80 GLY N N 80 115.910 114.843 1.067 1
1 786 . 7 1 1 A 81 81 GLY H H 81 9.283 8.377 0.906 1
1 787 . 7 1 1 A 81 81 GLY HA2 H 81 3.574 3.972 -0.398 1
1 788 . 7 1 1 A 81 81 GLY HA3 H 81 3.916 3.976 -0.060 1
1 789 . 7 1 1 A 81 81 GLY CA C 81 45.310 45.221 0.089 1
1 790 . 7 1 1 A 81 81 GLY N N 81 111.030 108.207 2.823 1
1 791 . 7 1 1 A 82 82 VAL H H 82 8.403 8.753 -0.350 1
1 792 . 7 1 1 A 82 82 VAL HA H 82 5.141 5.053 0.088 1
1 800 . 7 1 1 A 82 82 VAL CA C 82 61.633 61.198 0.435 1
1 801 . 7 1 1 A 82 82 VAL CB C 82 34.572 34.278 0.294 1
1 804 . 7 1 1 A 82 82 VAL N N 82 119.626 124.658 -5.032 1
1 805 . 7 1 1 A 83 83 ARG H H 83 9.383 8.853 0.530 1
1 806 . 7 1 1 A 83 83 ARG HA H 83 5.354 5.114 0.240 1
1 813 . 7 1 1 A 83 83 ARG CA C 83 54.577 54.552 0.025 1
1 814 . 7 1 1 A 83 83 ARG CB C 83 35.933 34.151 1.782 1
1 817 . 7 1 1 A 83 83 ARG N N 83 130.545 124.443 6.102 1
1 818 . 7 1 1 A 84 84 ARG H H 84 9.618 8.735 0.883 1
1 819 . 7 1 1 A 84 84 ARG HA H 84 5.650 4.828 0.822 1
1 826 . 7 1 1 A 84 84 ARG CA C 84 54.383 55.310 -0.927 1
1 827 . 7 1 1 A 84 84 ARG CB C 84 32.969 31.299 1.670 1
1 830 . 7 1 1 A 84 84 ARG N N 84 127.552 120.078 7.474 1
1 831 . 7 1 1 A 85 85 LEU H H 85 10.121 9.288 0.833 1
1 832 . 7 1 1 A 85 85 LEU HA H 85 5.232 5.427 -0.195 1
1 842 . 7 1 1 A 85 85 LEU CA C 85 53.442 53.468 -0.026 1
1 843 . 7 1 1 A 85 85 LEU CB C 85 45.431 44.213 1.218 1
1 847 . 7 1 1 A 85 85 LEU N N 85 128.946 126.246 2.700 1
1 848 . 7 1 1 A 86 86 THR H H 86 9.594 8.927 0.667 1
1 849 . 7 1 1 A 86 86 THR HA H 86 5.081 4.761 0.320 1
1 854 . 7 1 1 A 86 86 THR CA C 86 63.525 62.454 1.071 1
1 855 . 7 1 1 A 86 86 THR CB C 86 68.690 69.399 -0.709 1
1 857 . 7 1 1 A 86 86 THR N N 86 121.842 120.157 1.685 1
1 858 . 7 1 1 A 87 87 ILE H H 87 10.109 9.024 1.085 1
1 859 . 7 1 1 A 87 87 ILE HA H 87 4.539 4.700 -0.161 1
1 869 . 7 1 1 A 87 87 ILE CA C 87 58.954 58.253 0.701 1
1 870 . 7 1 1 A 87 87 ILE CB C 87 40.704 38.566 2.138 1
1 874 . 7 1 1 A 87 87 ILE N N 87 129.512 128.259 1.253 1
1 875 . 7 1 1 A 88 88 PRO HA H 88 4.981 4.689 0.292 1
1 882 . 7 1 1 A 88 88 PRO CA C 88 61.675 61.823 -0.148 1
1 883 . 7 1 1 A 88 88 PRO CB C 88 30.917 32.615 -1.698 1
1 886 . 7 1 1 A 89 89 PRO HA H 89 4.439 4.210 0.229 1
1 893 . 7 1 1 A 89 89 PRO CA C 89 65.384 65.263 0.121 1
1 894 . 7 1 1 A 89 89 PRO CB C 89 30.913 32.062 -1.149 1
1 897 . 7 1 1 A 90 90 GLN H H 90 9.574 8.886 0.688 1
1 898 . 7 1 1 A 90 90 GLN HA H 90 4.296 4.170 0.126 1
1 905 . 7 1 1 A 90 90 GLN CA C 90 58.441 57.475 0.966 1
1 906 . 7 1 1 A 90 90 GLN CB C 90 26.402 27.368 -0.966 1
1 908 . 7 1 1 A 90 90 GLN N N 90 118.710 115.498 3.212 1
1 910 . 7 1 1 A 91 91 LEU H H 91 7.976 7.303 0.673 1
1 911 . 7 1 1 A 91 91 LEU HA H 91 4.636 4.554 0.082 1
1 921 . 7 1 1 A 91 91 LEU CA C 91 53.625 54.327 -0.702 1
1 922 . 7 1 1 A 91 91 LEU CB C 91 42.819 43.369 -0.550 1
1 926 . 7 1 1 A 91 91 LEU N N 91 119.302 118.652 0.650 1
1 927 . 7 1 1 A 92 92 GLY H H 92 7.717 7.919 -0.202 1
1 928 . 7 1 1 A 92 92 GLY HA2 H 92 3.258 3.907 -0.649 1
1 929 . 7 1 1 A 92 92 GLY HA3 H 92 4.121 4.007 0.114 1
1 930 . 7 1 1 A 92 92 GLY CA C 92 45.183 45.235 -0.052 1
1 931 . 7 1 1 A 92 92 GLY N N 92 110.415 108.016 2.399 1
1 932 . 7 1 1 A 93 93 TYR H H 93 9.662 8.245 1.417 1
1 933 . 7 1 1 A 93 93 TYR HA H 93 4.513 4.279 0.234 1
1 940 . 7 1 1 A 93 93 TYR CA C 93 58.603 61.281 -2.678 1
1 941 . 7 1 1 A 93 93 TYR CB C 93 37.762 39.122 -1.360 1
1 942 . 7 1 1 A 93 93 TYR N N 93 126.998 122.224 4.774 1
1 943 . 7 1 1 A 94 94 GLY H H 94 8.467 7.890 0.577 1
1 944 . 7 1 1 A 94 94 GLY HA2 H 94 3.633 4.113 -0.480 1
1 945 . 7 1 1 A 94 94 GLY HA3 H 94 3.888 4.121 -0.233 1
1 946 . 7 1 1 A 94 94 GLY CA C 94 47.023 43.682 3.341 1
1 947 . 7 1 1 A 94 94 GLY N N 94 108.486 105.898 2.588 1
1 948 . 7 1 1 A 95 95 ALA H H 95 7.636 8.574 -0.938 1
1 949 . 7 1 1 A 95 95 ALA HA H 95 4.151 4.231 -0.080 1
1 953 . 7 1 1 A 95 95 ALA CA C 95 53.326 53.002 0.324 1
1 954 . 7 1 1 A 95 95 ALA CB C 95 18.831 18.884 -0.053 1
1 955 . 7 1 1 A 96 96 ARG H H 96 7.910 7.859 0.051 1
1 956 . 7 1 1 A 96 96 ARG HA H 96 4.227 4.289 -0.062 1
1 963 . 7 1 1 A 96 96 ARG CA C 96 57.514 57.602 -0.088 1
1 964 . 7 1 1 A 96 96 ARG CB C 96 31.353 31.193 0.160 1
1 967 . 7 1 1 A 96 96 ARG N N 96 115.669 118.209 -2.540 1
1 968 . 7 1 1 A 97 97 GLY H H 97 6.917 7.926 -1.009 1
1 969 . 7 1 1 A 97 97 GLY HA2 H 97 3.272 4.021 -0.749 1
1 970 . 7 1 1 A 97 97 GLY HA3 H 97 3.908 4.044 -0.136 1
1 971 . 7 1 1 A 97 97 GLY CA C 97 44.693 44.780 -0.087 1
1 972 . 7 1 1 A 97 97 GLY N N 97 103.795 107.279 -3.484 1
1 973 . 7 1 1 A 98 98 ALA H H 98 8.187 8.433 -0.246 1
1 974 . 7 1 1 A 98 98 ALA HA H 98 4.287 4.470 -0.183 1
1 978 . 7 1 1 A 98 98 ALA CA C 98 52.717 51.272 1.445 1
1 979 . 7 1 1 A 98 98 ALA CB C 98 20.563 19.712 0.851 1
1 980 . 7 1 1 A 98 98 ALA N N 98 118.770 120.723 -1.953 1
1 981 . 7 1 1 A 99 99 GLY H H 99 8.904 7.313 1.591 1
1 982 . 7 1 1 A 99 99 GLY HA2 H 99 3.670 4.132 -0.462 1
1 983 . 7 1 1 A 99 99 GLY HA3 H 99 3.854 4.133 -0.279 1
1 984 . 7 1 1 A 99 99 GLY CA C 99 46.848 45.476 1.372 1
1 985 . 7 1 1 A 99 99 GLY N N 99 109.717 106.559 3.158 1
1 986 . 7 1 1 A 100 100 GLY H H 100 8.759 8.907 -0.148 1
1 987 . 7 1 1 A 100 100 GLY HA2 H 100 3.719 3.815 -0.096 1
1 988 . 7 1 1 A 100 100 GLY HA3 H 100 4.041 3.816 0.225 1
1 989 . 7 1 1 A 100 100 GLY CA C 100 45.655 47.184 -1.529 1
1 990 . 7 1 1 A 100 100 GLY N N 100 110.895 109.048 1.847 1
1 991 . 7 1 1 A 101 101 VAL H H 101 7.631 7.722 -0.091 1
1 992 . 7 1 1 A 101 101 VAL HA H 101 4.226 4.169 0.057 1
1 1000 . 7 1 1 A 101 101 VAL CA C 101 62.518 62.846 -0.328 1
1 1001 . 7 1 1 A 101 101 VAL CB C 101 34.660 31.997 2.663 1
1 1004 . 7 1 1 A 101 101 VAL N N 101 115.165 117.775 -2.610 1
1 1005 . 7 1 1 A 102 102 ILE H H 102 7.686 7.614 0.072 1
1 1006 . 7 1 1 A 102 102 ILE HA H 102 4.351 4.465 -0.114 1
1 1016 . 7 1 1 A 102 102 ILE CA C 102 57.498 57.975 -0.477 1
1 1017 . 7 1 1 A 102 102 ILE CB C 102 38.189 38.641 -0.452 1
1 1021 . 7 1 1 A 102 102 ILE N N 102 120.043 124.072 -4.029 1
1 1022 . 7 1 1 A 103 103 PRO HA H 103 4.727 4.713 0.014 1
1 1029 . 7 1 1 A 103 103 PRO CA C 103 61.614 61.790 -0.176 1
1 1030 . 7 1 1 A 103 103 PRO CB C 103 31.055 32.629 -1.574 1
1 1033 . 7 1 1 A 104 104 PRO HA H 104 3.778 4.442 -0.664 1
1 1040 . 7 1 1 A 104 104 PRO CA C 104 63.599 64.712 -1.113 1
1 1041 . 7 1 1 A 104 104 PRO CB C 104 33.183 31.736 1.447 1
1 1044 . 7 1 1 A 105 105 ASN H H 105 8.581 8.203 0.378 1
1 1045 . 7 1 1 A 105 105 ASN HA H 105 3.928 5.000 -1.072 1
1 1050 . 7 1 1 A 105 105 ASN CA C 105 54.447 52.600 1.847 1
1 1051 . 7 1 1 A 105 105 ASN CB C 105 37.280 38.747 -1.467 1
1 1052 . 7 1 1 A 105 105 ASN N N 105 117.269 115.042 2.227 1
1 1054 . 7 1 1 A 106 106 ALA H H 106 7.637 7.171 0.466 1
1 1055 . 7 1 1 A 106 106 ALA HA H 106 4.456 4.304 0.152 1
1 1059 . 7 1 1 A 106 106 ALA CA C 106 52.493 52.590 -0.097 1
1 1060 . 7 1 1 A 106 106 ALA CB C 106 20.938 19.598 1.340 1
1 1061 . 7 1 1 A 106 106 ALA N N 106 121.257 121.591 -0.334 1
1 1062 . 7 1 1 A 107 107 THR H H 107 8.492 8.582 -0.090 1
1 1063 . 7 1 1 A 107 107 THR HA H 107 4.781 5.080 -0.299 1
1 1068 . 7 1 1 A 107 107 THR CA C 107 63.319 61.759 1.560 1
1 1069 . 7 1 1 A 107 107 THR CB C 107 69.430 71.341 -1.911 1
1 1071 . 7 1 1 A 107 107 THR N N 107 121.742 115.925 5.817 1
1 1072 . 7 1 1 A 108 108 LEU H H 108 8.900 8.690 0.210 1
1 1073 . 7 1 1 A 108 108 LEU HA H 108 5.132 5.304 -0.172 1
1 1083 . 7 1 1 A 108 108 LEU CA C 108 52.950 53.575 -0.625 1
1 1084 . 7 1 1 A 108 108 LEU CB C 108 46.730 45.327 1.403 1
1 1088 . 7 1 1 A 108 108 LEU N N 108 125.279 125.364 -0.085 1
1 1089 . 7 1 1 A 109 109 VAL H H 109 8.933 8.984 -0.051 1
1 1090 . 7 1 1 A 109 109 VAL HA H 109 5.532 4.839 0.693 1
1 1098 . 7 1 1 A 109 109 VAL CA C 109 60.793 61.206 -0.413 1
1 1099 . 7 1 1 A 109 109 VAL CB C 109 34.138 33.002 1.136 1
1 1102 . 7 1 1 A 109 109 VAL N N 109 122.496 124.640 -2.144 1
1 1103 . 7 1 1 A 110 110 PHE H H 110 9.737 9.158 0.579 1
1 1104 . 7 1 1 A 110 110 PHE HA H 110 6.457 5.216 1.241 1
1 1112 . 7 1 1 A 110 110 PHE CA C 110 55.265 55.956 -0.691 1
1 1113 . 7 1 1 A 110 110 PHE CB C 110 44.818 42.372 2.446 1
1 1114 . 7 1 1 A 110 110 PHE N N 110 121.114 125.871 -4.757 1
1 1115 . 7 1 1 A 111 111 GLU H H 111 9.223 8.437 0.786 1
1 1116 . 7 1 1 A 111 111 GLU HA H 111 5.202 4.782 0.420 1
1 1121 . 7 1 1 A 111 111 GLU CA C 111 56.709 55.044 1.665 1
1 1122 . 7 1 1 A 111 111 GLU CB C 111 32.338 30.835 1.503 1
1 1124 . 7 1 1 A 111 111 GLU N N 111 122.210 123.571 -1.361 1
1 1125 . 7 1 1 A 112 112 VAL H H 112 9.269 8.519 0.750 1
1 1126 . 7 1 1 A 112 112 VAL HA H 112 4.796 4.837 -0.041 1
1 1134 . 7 1 1 A 112 112 VAL CA C 112 61.127 60.963 0.164 1
1 1135 . 7 1 1 A 112 112 VAL CB C 112 34.634 34.711 -0.077 1
1 1136 . 7 1 1 A 112 112 VAL N N 112 126.195 125.672 0.523 1
1 1137 . 7 1 1 A 113 113 GLU H H 113 9.545 9.004 0.541 1
1 1138 . 7 1 1 A 113 113 GLU HA H 113 5.483 5.406 0.077 1
1 1143 . 7 1 1 A 113 113 GLU CA C 113 53.159 54.729 -1.570 1
1 1144 . 7 1 1 A 113 113 GLU CB C 113 32.657 32.076 0.581 1
1 1146 . 7 1 1 A 113 113 GLU N N 113 128.111 124.706 3.405 1
1 1147 . 7 1 1 A 114 114 LEU H H 114 8.261 8.782 -0.521 1
1 1148 . 7 1 1 A 114 114 LEU HA H 114 4.634 4.504 0.130 1
1 1158 . 7 1 1 A 114 114 LEU CA C 114 55.217 55.616 -0.399 1
1 1159 . 7 1 1 A 114 114 LEU CB C 114 41.826 42.669 -0.843 1
1 1163 . 7 1 1 A 114 114 LEU N N 114 126.273 126.988 -0.715 1
1 1164 . 7 1 1 A 115 115 LEU H H 115 9.258 8.969 0.289 1
1 1165 . 7 1 1 A 115 115 LEU HA H 115 4.453 4.480 -0.027 1
1 1175 . 7 1 1 A 115 115 LEU CA C 115 55.791 55.993 -0.202 1
1 1176 . 7 1 1 A 115 115 LEU CB C 115 42.897 42.815 0.082 1
1 1180 . 7 1 1 A 115 115 LEU N N 115 130.031 128.193 1.838 1
1 1181 . 7 1 1 A 116 116 ASP H H 116 7.748 7.309 0.439 1
1 1182 . 7 1 1 A 116 116 ASP HA H 116 4.672 4.861 -0.189 1
1 1185 . 7 1 1 A 116 116 ASP CA C 116 54.385 53.965 0.420 1
1 1186 . 7 1 1 A 116 116 ASP CB C 116 43.828 44.247 -0.419 1
1 1187 . 7 1 1 A 116 116 ASP N N 116 115.338 114.029 1.309 1
1 1 . 8 1 1 A 3 3 GLY H H 3 8.684 8.203 0.481 1
1 2 . 8 1 1 A 3 3 GLY HA2 H 3 3.959 4.200 -0.241 1
1 3 . 8 1 1 A 3 3 GLY HA3 H 3 3.959 4.201 -0.242 1
1 4 . 8 1 1 A 3 3 GLY N N 3 110.167 108.476 1.691 1
1 5 . 8 1 1 A 4 4 SER H H 4 8.315 8.760 -0.445 1
1 6 . 8 1 1 A 4 4 SER HA H 4 4.468 4.772 -0.304 1
1 9 . 8 1 1 A 4 4 SER CA C 4 58.355 58.055 0.300 1
1 10 . 8 1 1 A 4 4 SER N N 4 115.851 114.076 1.775 1
1 11 . 8 1 1 A 5 5 MET H H 5 8.640 8.695 -0.055 1
1 12 . 8 1 1 A 5 5 MET HA H 5 4.554 5.212 -0.658 1
1 17 . 8 1 1 A 5 5 MET CA C 5 55.754 53.855 1.899 1
1 18 . 8 1 1 A 5 5 MET CB C 5 32.870 33.562 -0.692 1
1 20 . 8 1 1 A 5 5 MET N N 5 122.413 121.321 1.092 1
1 21 . 8 1 1 A 6 6 THR H H 6 8.265 8.972 -0.707 1
1 22 . 8 1 1 A 6 6 THR HA H 6 4.296 5.014 -0.718 1
1 27 . 8 1 1 A 6 6 THR CA C 6 62.224 60.711 1.513 1
1 28 . 8 1 1 A 6 6 THR CB C 6 69.806 70.837 -1.031 1
1 30 . 8 1 1 A 6 6 THR N N 6 116.270 120.524 -4.254 1
1 31 . 8 1 1 A 7 7 VAL H H 7 8.068 8.766 -0.698 1
1 32 . 8 1 1 A 7 7 VAL HA H 7 4.200 4.511 -0.311 1
1 40 . 8 1 1 A 7 7 VAL CA C 7 62.021 60.645 1.376 1
1 41 . 8 1 1 A 7 7 VAL CB C 7 32.773 33.476 -0.703 1
1 44 . 8 1 1 A 7 7 VAL N N 7 124.632 128.261 -3.629 1
1 45 . 8 1 1 A 8 8 VAL H H 8 8.985 8.257 0.728 1
1 46 . 8 1 1 A 8 8 VAL HA H 8 3.872 4.754 -0.882 1
1 54 . 8 1 1 A 8 8 VAL CA C 8 61.848 60.759 1.089 1
1 55 . 8 1 1 A 8 8 VAL CB C 8 33.157 33.914 -0.757 1
1 58 . 8 1 1 A 8 8 VAL N N 8 132.503 128.285 4.218 1
1 59 . 8 1 1 A 9 9 THR H H 9 8.213 8.909 -0.696 1
1 60 . 8 1 1 A 9 9 THR HA H 9 5.250 4.997 0.253 1
1 65 . 8 1 1 A 9 9 THR CA C 9 61.040 61.922 -0.882 1
1 66 . 8 1 1 A 9 9 THR CB C 9 69.773 70.424 -0.651 1
1 68 . 8 1 1 A 9 9 THR N N 9 121.386 123.585 -2.199 1
1 69 . 8 1 1 A 10 10 THR H H 10 9.318 8.943 0.375 1
1 70 . 8 1 1 A 10 10 THR HA H 10 4.693 4.786 -0.093 1
1 75 . 8 1 1 A 10 10 THR CA C 10 60.077 60.383 -0.306 1
1 76 . 8 1 1 A 10 10 THR CB C 10 70.131 71.622 -1.491 1
1 78 . 8 1 1 A 10 10 THR N N 10 119.882 116.772 3.110 1
1 79 . 8 1 1 A 11 11 GLU H H 11 9.051 9.099 -0.048 1
1 80 . 8 1 1 A 11 11 GLU HA H 11 4.028 4.096 -0.068 1
1 85 . 8 1 1 A 11 11 GLU CA C 11 59.072 59.126 -0.054 1
1 86 . 8 1 1 A 11 11 GLU CB C 11 29.516 29.061 0.455 1
1 88 . 8 1 1 A 11 11 GLU N N 11 120.586 120.840 -0.254 1
1 89 . 8 1 1 A 12 12 SER H H 12 8.445 7.865 0.580 1
1 90 . 8 1 1 A 12 12 SER HA H 12 4.302 4.520 -0.218 1
1 93 . 8 1 1 A 12 12 SER CA C 12 58.483 59.244 -0.761 1
1 94 . 8 1 1 A 12 12 SER CB C 12 63.034 64.349 -1.315 1
1 95 . 8 1 1 A 12 12 SER N N 12 114.574 111.252 3.322 1
1 96 . 8 1 1 A 13 13 GLY H H 13 7.798 7.560 0.238 1
1 97 . 8 1 1 A 13 13 GLY HA2 H 13 3.425 4.070 -0.645 1
1 98 . 8 1 1 A 13 13 GLY HA3 H 13 4.401 4.071 0.330 1
1 99 . 8 1 1 A 13 13 GLY CA C 13 44.276 45.479 -1.203 1
1 100 . 8 1 1 A 13 13 GLY N N 13 109.024 109.591 -0.567 1
1 101 . 8 1 1 A 14 14 LEU H H 14 7.501 7.850 -0.349 1
1 102 . 8 1 1 A 14 14 LEU HA H 14 3.967 4.451 -0.484 1
1 112 . 8 1 1 A 14 14 LEU CA C 14 56.343 55.861 0.482 1
1 113 . 8 1 1 A 14 14 LEU CB C 14 41.856 42.897 -1.041 1
1 117 . 8 1 1 A 14 14 LEU N N 14 123.870 123.440 0.430 1
1 118 . 8 1 1 A 15 15 LYS H H 15 7.812 8.446 -0.634 1
1 119 . 8 1 1 A 15 15 LYS HA H 15 5.942 5.361 0.581 1
1 127 . 8 1 1 A 15 15 LYS CA C 15 54.052 54.395 -0.343 1
1 128 . 8 1 1 A 15 15 LYS CB C 15 36.289 35.681 0.608 1
1 132 . 8 1 1 A 15 15 LYS N N 15 123.667 125.136 -1.469 1
1 133 . 8 1 1 A 16 16 TYR H H 16 9.289 8.972 0.317 1
1 134 . 8 1 1 A 16 16 TYR HA H 16 5.996 5.508 0.488 1
1 141 . 8 1 1 A 16 16 TYR CA C 16 55.784 56.270 -0.486 1
1 142 . 8 1 1 A 16 16 TYR CB C 16 43.297 41.680 1.617 1
1 143 . 8 1 1 A 16 16 TYR N N 16 117.890 117.739 0.151 1
1 144 . 8 1 1 A 17 17 GLU H H 17 8.728 8.927 -0.199 1
1 145 . 8 1 1 A 17 17 GLU HA H 17 4.860 4.824 0.036 1
1 150 . 8 1 1 A 17 17 GLU CA C 17 54.072 54.784 -0.712 1
1 151 . 8 1 1 A 17 17 GLU CB C 17 35.222 32.844 2.378 1
1 152 . 8 1 1 A 17 17 GLU N N 17 118.386 121.932 -3.546 1
1 153 . 8 1 1 A 18 18 ASP H H 18 9.596 8.744 0.852 1
1 154 . 8 1 1 A 18 18 ASP HA H 18 5.296 4.737 0.559 1
1 157 . 8 1 1 A 18 18 ASP CA C 18 55.695 54.687 1.008 1
1 158 . 8 1 1 A 18 18 ASP CB C 18 40.940 41.195 -0.255 1
1 159 . 8 1 1 A 18 18 ASP N N 18 127.059 126.424 0.635 1
1 160 . 8 1 1 A 19 19 LEU H H 19 8.609 9.023 -0.414 1
1 161 . 8 1 1 A 19 19 LEU HA H 19 4.275 4.601 -0.326 1
1 171 . 8 1 1 A 19 19 LEU CA C 19 56.923 55.988 0.935 1
1 172 . 8 1 1 A 19 19 LEU CB C 19 41.074 43.942 -2.868 1
1 176 . 8 1 1 A 19 19 LEU N N 19 128.620 126.906 1.714 1
1 177 . 8 1 1 A 20 20 THR H H 20 8.136 7.994 0.142 1
1 178 . 8 1 1 A 20 20 THR HA H 20 4.400 4.781 -0.381 1
1 183 . 8 1 1 A 20 20 THR CA C 20 61.835 61.353 0.482 1
1 184 . 8 1 1 A 20 20 THR CB C 20 72.411 71.700 0.711 1
1 186 . 8 1 1 A 20 20 THR N N 20 112.473 111.974 0.499 1
1 187 . 8 1 1 A 21 21 GLU H H 21 9.354 8.883 0.471 1
1 188 . 8 1 1 A 21 21 GLU HA H 21 4.370 4.253 0.117 1
1 193 . 8 1 1 A 21 21 GLU CA C 21 56.277 57.749 -1.472 1
1 194 . 8 1 1 A 21 21 GLU CB C 21 30.368 30.974 -0.606 1
1 196 . 8 1 1 A 21 21 GLU N N 21 130.043 127.671 2.372 1
1 197 . 8 1 1 A 22 22 GLY H H 22 9.071 8.415 0.656 1
1 198 . 8 1 1 A 22 22 GLY HA2 H 22 3.446 4.169 -0.723 1
1 199 . 8 1 1 A 22 22 GLY HA3 H 22 3.742 4.170 -0.428 1
1 200 . 8 1 1 A 22 22 GLY CA C 22 45.343 45.470 -0.127 1
1 201 . 8 1 1 A 22 22 GLY N N 22 113.930 111.415 2.515 1
1 202 . 8 1 1 A 23 23 SER H H 23 8.040 8.823 -0.783 1
1 203 . 8 1 1 A 23 23 SER HA H 23 4.671 4.712 -0.041 1
1 206 . 8 1 1 A 23 23 SER CA C 23 57.488 57.931 -0.443 1
1 207 . 8 1 1 A 23 23 SER CB C 23 65.069 61.302 3.767 1
1 208 . 8 1 1 A 23 23 SER N N 23 111.747 122.223 -10.476 1
1 209 . 8 1 1 A 24 24 GLY H H 24 8.418 8.265 0.153 1
1 210 . 8 1 1 A 24 24 GLY HA2 H 24 3.693 4.034 -0.341 1
1 211 . 8 1 1 A 24 24 GLY HA3 H 24 4.328 4.034 0.294 1
1 212 . 8 1 1 A 24 24 GLY CA C 24 44.138 44.930 -0.792 1
1 213 . 8 1 1 A 24 24 GLY N N 24 111.391 112.924 -1.533 1
1 214 . 8 1 1 A 25 25 ALA H H 25 8.342 8.381 -0.039 1
1 215 . 8 1 1 A 25 25 ALA HA H 25 4.061 5.097 -1.036 1
1 219 . 8 1 1 A 25 25 ALA CA C 25 52.551 51.366 1.185 1
1 220 . 8 1 1 A 25 25 ALA CB C 25 19.752 22.675 -2.923 1
1 221 . 8 1 1 A 25 25 ALA N N 25 123.675 124.830 -1.155 1
1 222 . 8 1 1 A 26 26 GLU H H 26 8.194 8.540 -0.346 1
1 223 . 8 1 1 A 26 26 GLU HA H 26 4.498 4.577 -0.079 1
1 228 . 8 1 1 A 26 26 GLU CA C 26 55.174 56.738 -1.564 1
1 229 . 8 1 1 A 26 26 GLU CB C 26 31.906 30.029 1.877 1
1 231 . 8 1 1 A 26 26 GLU N N 26 119.186 122.604 -3.418 1
1 232 . 8 1 1 A 27 27 ALA H H 27 8.930 8.169 0.761 1
1 233 . 8 1 1 A 27 27 ALA HA H 27 4.527 4.224 0.303 1
1 237 . 8 1 1 A 27 27 ALA CA C 27 51.815 52.804 -0.989 1
1 238 . 8 1 1 A 27 27 ALA CB C 27 19.057 19.198 -0.141 1
1 239 . 8 1 1 A 27 27 ALA N N 27 127.513 127.492 0.021 1
1 240 . 8 1 1 A 28 28 ARG H H 28 8.348 8.819 -0.471 1
1 241 . 8 1 1 A 28 28 ARG HA H 28 4.563 4.736 -0.173 1
1 246 . 8 1 1 A 28 28 ARG CA C 28 53.584 54.135 -0.551 1
1 247 . 8 1 1 A 28 28 ARG CB C 28 33.571 33.436 0.135 1
1 250 . 8 1 1 A 28 28 ARG N N 28 124.054 121.067 2.987 1
1 251 . 8 1 1 A 29 29 ALA H H 29 8.387 8.618 -0.231 1
1 252 . 8 1 1 A 29 29 ALA HA H 29 3.594 3.908 -0.314 1
1 256 . 8 1 1 A 29 29 ALA CA C 29 53.535 53.932 -0.397 1
1 257 . 8 1 1 A 29 29 ALA CB C 29 17.781 18.323 -0.542 1
1 258 . 8 1 1 A 29 29 ALA N N 29 122.289 126.907 -4.618 1
1 259 . 8 1 1 A 30 30 GLY H H 30 9.043 8.570 0.473 1
1 260 . 8 1 1 A 30 30 GLY HA2 H 30 3.451 4.000 -0.549 1
1 261 . 8 1 1 A 30 30 GLY HA3 H 30 4.378 4.002 0.376 1
1 262 . 8 1 1 A 30 30 GLY CA C 30 44.562 45.063 -0.501 1
1 263 . 8 1 1 A 30 30 GLY N N 30 110.956 111.068 -0.112 1
1 264 . 8 1 1 A 31 31 GLN H H 31 7.620 7.629 -0.009 1
1 265 . 8 1 1 A 31 31 GLN HA H 31 4.343 4.559 -0.216 1
1 272 . 8 1 1 A 31 31 GLN CA C 31 55.410 55.227 0.183 1
1 273 . 8 1 1 A 31 31 GLN CB C 31 30.151 30.262 -0.111 1
1 275 . 8 1 1 A 31 31 GLN N N 31 119.756 118.921 0.835 1
1 277 . 8 1 1 A 32 32 THR H H 32 8.793 8.491 0.302 1
1 278 . 8 1 1 A 32 32 THR HA H 32 4.463 4.874 -0.411 1
1 283 . 8 1 1 A 32 32 THR CA C 32 63.072 62.527 0.545 1
1 284 . 8 1 1 A 32 32 THR CB C 32 68.380 69.930 -1.550 1
1 286 . 8 1 1 A 32 32 THR N N 32 119.718 118.989 0.729 1
1 287 . 8 1 1 A 33 33 VAL H H 33 8.393 8.813 -0.420 1
1 288 . 8 1 1 A 33 33 VAL HA H 33 4.712 4.930 -0.218 1
1 296 . 8 1 1 A 33 33 VAL CA C 33 58.274 59.146 -0.872 1
1 297 . 8 1 1 A 33 33 VAL CB C 33 33.309 36.235 -2.926 1
1 300 . 8 1 1 A 33 33 VAL N N 33 120.513 119.788 0.725 1
1 301 . 8 1 1 A 34 34 SER H H 34 7.865 9.007 -1.142 1
1 302 . 8 1 1 A 34 34 SER HA H 34 5.262 5.684 -0.422 1
1 305 . 8 1 1 A 34 34 SER CA C 34 56.443 56.432 0.011 1
1 306 . 8 1 1 A 34 34 SER CB C 34 64.882 65.054 -0.172 1
1 307 . 8 1 1 A 34 34 SER N N 34 113.652 115.827 -2.175 1
1 308 . 8 1 1 A 35 35 VAL H H 35 9.531 9.303 0.228 1
1 309 . 8 1 1 A 35 35 VAL HA H 35 5.715 5.189 0.526 1
1 317 . 8 1 1 A 35 35 VAL CA C 35 58.226 59.107 -0.881 1
1 318 . 8 1 1 A 35 35 VAL CB C 35 35.412 36.006 -0.594 1
1 321 . 8 1 1 A 35 35 VAL N N 35 117.985 120.452 -2.467 1
1 322 . 8 1 1 A 36 36 HIS H H 36 8.812 8.903 -0.091 1
1 323 . 8 1 1 A 36 36 HIS HA H 36 5.784 5.617 0.167 1
1 328 . 8 1 1 A 36 36 HIS CA C 36 54.671 53.995 0.676 1
1 329 . 8 1 1 A 36 36 HIS CB C 36 35.786 32.205 3.581 1
1 330 . 8 1 1 A 36 36 HIS N N 36 118.227 120.516 -2.289 1
1 331 . 8 1 1 A 37 37 TYR H H 37 9.680 9.034 0.646 1
1 332 . 8 1 1 A 37 37 TYR HA H 37 6.201 5.860 0.341 1
1 339 . 8 1 1 A 37 37 TYR CA C 37 56.280 55.407 0.873 1
1 340 . 8 1 1 A 37 37 TYR CB C 37 43.791 41.133 2.658 1
1 341 . 8 1 1 A 37 37 TYR N N 37 116.878 119.961 -3.083 1
1 342 . 8 1 1 A 38 38 THR H H 38 8.478 8.734 -0.256 1
1 343 . 8 1 1 A 38 38 THR HA H 38 4.374 4.530 -0.156 1
1 348 . 8 1 1 A 38 38 THR CA C 38 62.692 59.992 2.700 1
1 349 . 8 1 1 A 38 38 THR CB C 38 71.675 69.827 1.848 1
1 351 . 8 1 1 A 38 38 THR N N 38 117.172 118.069 -0.897 1
1 352 . 8 1 1 A 39 39 GLY H H 39 8.332 8.382 -0.050 1
1 353 . 8 1 1 A 39 39 GLY HA2 H 39 1.943 2.387 -0.444 1
1 354 . 8 1 1 A 39 39 GLY HA3 H 39 4.624 3.148 1.476 1
1 355 . 8 1 1 A 39 39 GLY CA C 39 44.767 45.147 -0.380 1
1 356 . 8 1 1 A 39 39 GLY N N 39 113.042 112.395 0.647 1
1 357 . 8 1 1 A 40 40 TRP H H 40 9.669 8.803 0.866 1
1 358 . 8 1 1 A 40 40 TRP HA H 40 5.499 5.737 -0.238 1
1 366 . 8 1 1 A 40 40 TRP CA C 40 57.026 55.934 1.092 1
1 367 . 8 1 1 A 40 40 TRP CB C 40 34.177 33.303 0.874 1
1 368 . 8 1 1 A 40 40 TRP N N 40 123.550 125.775 -2.225 1
1 370 . 8 1 1 A 41 41 LEU H H 41 8.699 9.021 -0.322 1
1 371 . 8 1 1 A 41 41 LEU HA H 41 5.056 4.806 0.250 1
1 381 . 8 1 1 A 41 41 LEU CA C 41 54.040 53.477 0.563 1
1 382 . 8 1 1 A 41 41 LEU CB C 41 41.981 43.262 -1.281 1
1 386 . 8 1 1 A 41 41 LEU N N 41 119.318 122.240 -2.922 1
1 387 . 8 1 1 A 42 42 THR H H 42 9.418 8.745 0.673 1
1 388 . 8 1 1 A 42 42 THR HA H 42 3.962 4.154 -0.192 1
1 393 . 8 1 1 A 42 42 THR CA C 42 65.117 64.459 0.658 1
1 394 . 8 1 1 A 42 42 THR CB C 42 68.693 68.755 -0.062 1
1 396 . 8 1 1 A 42 42 THR N N 42 112.465 115.700 -3.235 1
1 397 . 8 1 1 A 43 43 ASP H H 43 7.690 7.761 -0.071 1
1 398 . 8 1 1 A 43 43 ASP HA H 43 4.538 4.661 -0.123 1
1 401 . 8 1 1 A 43 43 ASP CA C 43 53.655 53.959 -0.304 1
1 402 . 8 1 1 A 43 43 ASP CB C 43 40.109 41.772 -1.663 1
1 403 . 8 1 1 A 43 43 ASP N N 43 118.952 120.242 -1.290 1
1 404 . 8 1 1 A 44 44 GLY H H 44 8.043 7.665 0.378 1
1 405 . 8 1 1 A 44 44 GLY HA2 H 44 3.521 3.893 -0.372 1
1 406 . 8 1 1 A 44 44 GLY HA3 H 44 4.318 3.919 0.399 1
1 407 . 8 1 1 A 44 44 GLY CA C 44 44.869 44.845 0.024 1
1 408 . 8 1 1 A 44 44 GLY N N 44 107.790 105.879 1.911 1
1 409 . 8 1 1 A 45 45 GLN H H 45 8.355 7.601 0.754 1
1 410 . 8 1 1 A 45 45 GLN HA H 45 4.319 4.242 0.077 1
1 417 . 8 1 1 A 45 45 GLN CA C 45 56.909 55.655 1.254 1
1 418 . 8 1 1 A 45 45 GLN CB C 45 29.837 29.960 -0.123 1
1 420 . 8 1 1 A 45 45 GLN N N 45 121.541 119.524 2.017 1
1 422 . 8 1 1 A 46 46 LYS H H 46 8.915 8.449 0.466 1
1 423 . 8 1 1 A 46 46 LYS HA H 46 4.454 5.175 -0.721 1
1 432 . 8 1 1 A 46 46 LYS CA C 46 55.782 55.079 0.703 1
1 433 . 8 1 1 A 46 46 LYS CB C 46 33.097 34.113 -1.016 1
1 437 . 8 1 1 A 46 46 LYS N N 46 129.310 123.840 5.470 1
1 438 . 8 1 1 A 47 47 PHE H H 47 8.440 8.936 -0.496 1
1 439 . 8 1 1 A 47 47 PHE HA H 47 5.103 4.983 0.120 1
1 447 . 8 1 1 A 47 47 PHE CA C 47 56.272 56.573 -0.301 1
1 448 . 8 1 1 A 47 47 PHE CB C 47 41.094 40.388 0.706 1
1 449 . 8 1 1 A 47 47 PHE N N 47 122.874 122.668 0.206 1
1 450 . 8 1 1 A 48 48 ASP H H 48 6.744 7.542 -0.798 1
1 451 . 8 1 1 A 48 48 ASP HA H 48 4.790 4.760 0.030 1
1 454 . 8 1 1 A 48 48 ASP CA C 48 54.518 54.227 0.291 1
1 455 . 8 1 1 A 48 48 ASP CB C 48 43.929 44.154 -0.225 1
1 456 . 8 1 1 A 48 48 ASP N N 48 118.152 119.538 -1.386 1
1 457 . 8 1 1 A 49 49 SER H H 49 8.122 8.441 -0.319 1
1 458 . 8 1 1 A 49 49 SER HA H 49 4.608 5.015 -0.407 1
1 461 . 8 1 1 A 49 49 SER CA C 49 56.963 56.104 0.859 1
1 462 . 8 1 1 A 49 49 SER CB C 49 64.699 65.615 -0.916 1
1 463 . 8 1 1 A 49 49 SER N N 49 117.585 119.609 -2.024 1
1 464 . 8 1 1 A 50 50 SER H H 50 8.020 8.591 -0.571 1
1 465 . 8 1 1 A 50 50 SER HA H 50 4.045 4.160 -0.115 1
1 468 . 8 1 1 A 50 50 SER CA C 50 61.482 60.834 0.648 1
1 469 . 8 1 1 A 50 50 SER CB C 50 61.488 63.276 -1.788 1
1 470 . 8 1 1 A 50 50 SER N N 50 124.801 121.276 3.525 1
1 471 . 8 1 1 A 51 51 LYS H H 51 7.730 7.516 0.214 1
1 472 . 8 1 1 A 51 51 LYS HA H 51 3.505 4.006 -0.501 1
1 481 . 8 1 1 A 51 51 LYS CA C 51 58.921 59.006 -0.085 1
1 482 . 8 1 1 A 51 51 LYS CB C 51 31.346 32.001 -0.655 1
1 486 . 8 1 1 A 51 51 LYS N N 51 124.103 121.929 2.174 1
1 487 . 8 1 1 A 52 52 ASP H H 52 7.324 7.907 -0.583 1
1 488 . 8 1 1 A 52 52 ASP HA H 52 4.284 4.398 -0.114 1
1 491 . 8 1 1 A 52 52 ASP CA C 52 56.524 57.300 -0.776 1
1 492 . 8 1 1 A 52 52 ASP CB C 52 40.201 41.684 -1.483 1
1 493 . 8 1 1 A 52 52 ASP N N 52 118.971 119.482 -0.511 1
1 494 . 8 1 1 A 53 53 ARG H H 53 6.923 7.760 -0.837 1
1 495 . 8 1 1 A 53 53 ARG HA H 53 4.461 4.382 0.079 1
1 502 . 8 1 1 A 53 53 ARG CA C 53 55.597 57.104 -1.507 1
1 503 . 8 1 1 A 53 53 ARG CB C 53 31.289 31.254 0.035 1
1 506 . 8 1 1 A 53 53 ARG N N 53 114.803 119.083 -4.280 1
1 507 . 8 1 1 A 54 54 ASN H H 54 7.827 7.589 0.238 1
1 508 . 8 1 1 A 54 54 ASN HA H 54 4.352 4.369 -0.017 1
1 513 . 8 1 1 A 54 54 ASN CA C 54 54.339 54.684 -0.345 1
1 514 . 8 1 1 A 54 54 ASN CB C 54 37.849 36.675 1.174 1
1 515 . 8 1 1 A 54 54 ASN N N 54 117.421 116.726 0.695 1
1 517 . 8 1 1 A 55 55 ASP H H 55 7.580 7.891 -0.311 1
1 518 . 8 1 1 A 55 55 ASP HA H 55 5.360 5.061 0.299 1
1 521 . 8 1 1 A 55 55 ASP CA C 55 51.697 51.797 -0.100 1
1 522 . 8 1 1 A 55 55 ASP CB C 55 43.377 44.261 -0.884 1
1 523 . 8 1 1 A 55 55 ASP N N 55 115.802 117.716 -1.914 1
1 524 . 8 1 1 A 56 56 PRO HA H 56 4.022 3.752 0.270 1
1 531 . 8 1 1 A 56 56 PRO CA C 56 63.115 62.368 0.747 1
1 532 . 8 1 1 A 56 56 PRO CB C 56 32.348 32.166 0.182 1
1 535 . 8 1 1 A 57 57 PHE H H 57 9.207 8.587 0.620 1
1 536 . 8 1 1 A 57 57 PHE HA H 57 4.874 4.690 0.184 1
1 544 . 8 1 1 A 57 57 PHE CA C 57 57.290 57.530 -0.240 1
1 545 . 8 1 1 A 57 57 PHE CB C 57 42.517 39.152 3.365 1
1 546 . 8 1 1 A 57 57 PHE N N 57 124.509 123.037 1.472 1
1 547 . 8 1 1 A 58 58 ALA H H 58 7.942 8.741 -0.799 1
1 548 . 8 1 1 A 58 58 ALA HA H 58 5.928 5.431 0.497 1
1 552 . 8 1 1 A 58 58 ALA CA C 58 49.705 50.358 -0.653 1
1 553 . 8 1 1 A 58 58 ALA CB C 58 21.621 21.109 0.512 1
1 554 . 8 1 1 A 58 58 ALA N N 58 130.661 130.063 0.598 1
1 555 . 8 1 1 A 59 59 PHE H H 59 8.455 8.681 -0.226 1
1 556 . 8 1 1 A 59 59 PHE HA H 59 4.660 5.027 -0.367 1
1 564 . 8 1 1 A 59 59 PHE CA C 59 55.610 55.857 -0.247 1
1 565 . 8 1 1 A 59 59 PHE CB C 59 40.857 40.742 0.115 1
1 566 . 8 1 1 A 59 59 PHE N N 59 114.967 117.624 -2.657 1
1 567 . 8 1 1 A 60 60 VAL H H 60 8.168 8.779 -0.611 1
1 568 . 8 1 1 A 60 60 VAL HA H 60 4.084 4.246 -0.162 1
1 576 . 8 1 1 A 60 60 VAL CA C 60 61.907 61.771 0.136 1
1 577 . 8 1 1 A 60 60 VAL CB C 60 31.564 32.308 -0.744 1
1 580 . 8 1 1 A 60 60 VAL N N 60 120.308 119.533 0.775 1
1 581 . 8 1 1 A 61 61 LEU H H 61 8.900 8.394 0.506 1
1 582 . 8 1 1 A 61 61 LEU HA H 61 4.248 3.797 0.451 1
1 592 . 8 1 1 A 61 61 LEU CA C 61 56.558 56.205 0.353 1
1 593 . 8 1 1 A 61 61 LEU CB C 61 41.736 41.627 0.109 1
1 597 . 8 1 1 A 61 61 LEU N N 61 134.513 128.951 5.562 1
1 598 . 8 1 1 A 62 62 GLY H H 62 9.652 8.869 0.783 1
1 599 . 8 1 1 A 62 62 GLY HA2 H 62 3.558 4.079 -0.521 1
1 600 . 8 1 1 A 62 62 GLY HA3 H 62 4.154 4.109 0.045 1
1 601 . 8 1 1 A 62 62 GLY CA C 62 45.721 45.099 0.622 1
1 602 . 8 1 1 A 62 62 GLY N N 62 119.352 114.801 4.551 1
1 603 . 8 1 1 A 63 63 GLY H H 63 8.338 8.023 0.315 1
1 604 . 8 1 1 A 63 63 GLY HA2 H 63 3.557 4.157 -0.600 1
1 605 . 8 1 1 A 63 63 GLY HA3 H 63 4.298 4.167 0.131 1
1 606 . 8 1 1 A 63 63 GLY CA C 63 45.442 44.967 0.475 1
1 607 . 8 1 1 A 63 63 GLY N N 63 107.002 108.517 -1.515 1
1 608 . 8 1 1 A 64 64 GLY H H 64 9.301 8.759 0.542 1
1 609 . 8 1 1 A 64 64 GLY HA2 H 64 4.057 4.019 0.038 1
1 610 . 8 1 1 A 64 64 GLY HA3 H 64 4.057 4.062 -0.005 1
1 611 . 8 1 1 A 64 64 GLY CA C 64 46.425 46.057 0.368 1
1 612 . 8 1 1 A 64 64 GLY N N 64 112.092 108.470 3.622 1
1 613 . 8 1 1 A 65 65 MET H H 65 9.574 8.455 1.119 1
1 614 . 8 1 1 A 65 65 MET HA H 65 4.546 4.089 0.457 1
1 619 . 8 1 1 A 65 65 MET CA C 65 55.641 56.817 -1.176 1
1 620 . 8 1 1 A 65 65 MET CB C 65 33.268 31.171 2.097 1
1 622 . 8 1 1 A 65 65 MET N N 65 118.659 112.791 5.868 1
1 623 . 8 1 1 A 66 66 VAL H H 66 6.867 7.710 -0.843 1
1 624 . 8 1 1 A 66 66 VAL HA H 66 4.454 4.359 0.095 1
1 632 . 8 1 1 A 66 66 VAL CA C 66 57.545 59.243 -1.698 1
1 633 . 8 1 1 A 66 66 VAL CB C 66 35.736 34.060 1.676 1
1 636 . 8 1 1 A 66 66 VAL N N 66 108.649 113.772 -5.123 1
1 637 . 8 1 1 A 67 67 ILE H H 67 7.158 8.005 -0.847 1
1 638 . 8 1 1 A 67 67 ILE HA H 67 3.894 4.348 -0.454 1
1 648 . 8 1 1 A 67 67 ILE CA C 67 62.065 60.541 1.524 1
1 649 . 8 1 1 A 67 67 ILE CB C 67 37.130 39.763 -2.633 1
1 653 . 8 1 1 A 67 67 ILE N N 67 111.614 117.573 -5.959 1
1 654 . 8 1 1 A 68 68 LYS H H 68 9.182 8.966 0.216 1
1 655 . 8 1 1 A 68 68 LYS HA H 68 4.241 3.963 0.278 1
1 664 . 8 1 1 A 68 68 LYS CA C 68 60.042 59.575 0.467 1
1 665 . 8 1 1 A 68 68 LYS CB C 68 33.366 32.300 1.066 1
1 669 . 8 1 1 A 68 68 LYS N N 68 125.685 123.281 2.404 1
1 670 . 8 1 1 A 69 69 GLY H H 69 9.653 8.353 1.300 1
1 671 . 8 1 1 A 69 69 GLY HA2 H 69 3.595 3.859 -0.264 1
1 672 . 8 1 1 A 69 69 GLY HA3 H 69 3.971 3.894 0.077 1
1 673 . 8 1 1 A 69 69 GLY CA C 69 47.597 47.392 0.205 1
1 674 . 8 1 1 A 69 69 GLY N N 69 102.438 106.824 -4.386 1
1 675 . 8 1 1 A 70 70 TRP H H 70 7.745 7.987 -0.242 1
1 676 . 8 1 1 A 70 70 TRP HA H 70 4.152 4.655 -0.503 1
1 684 . 8 1 1 A 70 70 TRP CA C 70 60.737 60.368 0.369 1
1 685 . 8 1 1 A 70 70 TRP CB C 70 29.185 28.157 1.028 1
1 686 . 8 1 1 A 70 70 TRP N N 70 120.118 121.657 -1.539 1
1 687 . 8 1 1 A 71 71 ASP H H 71 7.058 8.567 -1.509 1
1 688 . 8 1 1 A 71 71 ASP HA H 71 4.878 4.389 0.489 1
1 691 . 8 1 1 A 71 71 ASP CA C 71 57.165 57.897 -0.732 1
1 692 . 8 1 1 A 71 71 ASP CB C 71 40.749 41.681 -0.932 1
1 693 . 8 1 1 A 71 71 ASP N N 71 120.287 120.027 0.260 1
1 694 . 8 1 1 A 72 72 GLU H H 72 7.856 8.705 -0.849 1
1 695 . 8 1 1 A 72 72 GLU HA H 72 4.120 4.002 0.118 1
1 700 . 8 1 1 A 72 72 GLU CA C 72 58.236 59.326 -1.090 1
1 701 . 8 1 1 A 72 72 GLU CB C 72 30.409 29.192 1.217 1
1 703 . 8 1 1 A 72 72 GLU N N 72 114.126 119.228 -5.102 1
1 704 . 8 1 1 A 73 73 GLY H H 73 7.732 8.033 -0.301 1
1 705 . 8 1 1 A 73 73 GLY HA2 H 73 3.565 3.609 -0.044 1
1 706 . 8 1 1 A 73 73 GLY HA3 H 73 3.565 3.624 -0.059 1
1 707 . 8 1 1 A 73 73 GLY CA C 73 47.427 47.213 0.214 1
1 708 . 8 1 1 A 73 73 GLY N N 73 104.848 107.742 -2.894 1
1 709 . 8 1 1 A 74 74 VAL H H 74 8.138 8.623 -0.485 1
1 710 . 8 1 1 A 74 74 VAL HA H 74 3.630 3.768 -0.138 1
1 718 . 8 1 1 A 74 74 VAL CA C 74 63.679 65.826 -2.147 1
1 719 . 8 1 1 A 74 74 VAL CB C 74 31.206 31.625 -0.419 1
1 722 . 8 1 1 A 74 74 VAL N N 74 117.660 122.159 -4.499 1
1 723 . 8 1 1 A 75 75 GLN H H 75 6.431 8.248 -1.817 1
1 724 . 8 1 1 A 75 75 GLN HA H 75 3.598 4.180 -0.582 1
1 731 . 8 1 1 A 75 75 GLN CA C 75 58.343 55.618 2.725 1
1 732 . 8 1 1 A 75 75 GLN CB C 75 28.747 27.825 0.922 1
1 734 . 8 1 1 A 75 75 GLN N N 75 116.376 118.476 -2.100 1
1 736 . 8 1 1 A 76 76 GLY H H 76 8.577 7.591 0.986 1
1 737 . 8 1 1 A 76 76 GLY HA2 H 76 3.647 4.034 -0.387 1
1 738 . 8 1 1 A 76 76 GLY HA3 H 76 4.510 4.046 0.464 1
1 739 . 8 1 1 A 76 76 GLY CA C 76 45.092 45.551 -0.459 1
1 740 . 8 1 1 A 76 76 GLY N N 76 111.539 109.069 2.470 1
1 741 . 8 1 1 A 77 77 MET H H 77 7.609 7.634 -0.025 1
1 742 . 8 1 1 A 77 77 MET HA H 77 3.948 4.446 -0.498 1
1 747 . 8 1 1 A 77 77 MET CA C 77 58.260 56.348 1.912 1
1 748 . 8 1 1 A 77 77 MET CB C 77 34.641 33.547 1.094 1
1 750 . 8 1 1 A 77 77 MET N N 77 119.140 120.542 -1.402 1
1 751 . 8 1 1 A 78 78 LYS H H 78 8.348 8.826 -0.478 1
1 752 . 8 1 1 A 78 78 LYS HA H 78 5.015 5.108 -0.093 1
1 761 . 8 1 1 A 78 78 LYS CA C 78 54.136 54.201 -0.065 1
1 762 . 8 1 1 A 78 78 LYS CB C 78 34.944 35.562 -0.618 1
1 766 . 8 1 1 A 78 78 LYS N N 78 119.308 120.091 -0.783 1
1 767 . 8 1 1 A 79 79 VAL H H 79 8.622 8.957 -0.335 1
1 768 . 8 1 1 A 79 79 VAL HA H 79 3.160 3.475 -0.315 1
1 776 . 8 1 1 A 79 79 VAL CA C 79 66.585 65.455 1.130 1
1 777 . 8 1 1 A 79 79 VAL CB C 79 31.690 31.416 0.274 1
1 780 . 8 1 1 A 79 79 VAL N N 79 123.215 122.411 0.804 1
1 781 . 8 1 1 A 80 80 GLY H H 80 8.623 8.711 -0.088 1
1 782 . 8 1 1 A 80 80 GLY HA2 H 80 3.901 4.030 -0.129 1
1 783 . 8 1 1 A 80 80 GLY HA3 H 80 4.654 4.035 0.619 1
1 784 . 8 1 1 A 80 80 GLY CA C 80 44.457 45.126 -0.669 1
1 785 . 8 1 1 A 80 80 GLY N N 80 115.910 114.781 1.129 1
1 786 . 8 1 1 A 81 81 GLY H H 81 9.283 8.393 0.890 1
1 787 . 8 1 1 A 81 81 GLY HA2 H 81 3.574 3.994 -0.420 1
1 788 . 8 1 1 A 81 81 GLY HA3 H 81 3.916 3.998 -0.082 1
1 789 . 8 1 1 A 81 81 GLY CA C 81 45.310 45.039 0.271 1
1 790 . 8 1 1 A 81 81 GLY N N 81 111.030 108.110 2.920 1
1 791 . 8 1 1 A 82 82 VAL H H 82 8.403 8.794 -0.391 1
1 792 . 8 1 1 A 82 82 VAL HA H 82 5.141 5.045 0.096 1
1 800 . 8 1 1 A 82 82 VAL CA C 82 61.633 61.260 0.373 1
1 801 . 8 1 1 A 82 82 VAL CB C 82 34.572 34.297 0.275 1
1 804 . 8 1 1 A 82 82 VAL N N 82 119.626 124.752 -5.126 1
1 805 . 8 1 1 A 83 83 ARG H H 83 9.383 8.737 0.646 1
1 806 . 8 1 1 A 83 83 ARG HA H 83 5.354 4.904 0.450 1
1 813 . 8 1 1 A 83 83 ARG CA C 83 54.577 54.275 0.302 1
1 814 . 8 1 1 A 83 83 ARG CB C 83 35.933 34.487 1.446 1
1 817 . 8 1 1 A 83 83 ARG N N 83 130.545 125.650 4.895 1
1 818 . 8 1 1 A 84 84 ARG H H 84 9.618 8.636 0.982 1
1 819 . 8 1 1 A 84 84 ARG HA H 84 5.650 4.679 0.971 1
1 826 . 8 1 1 A 84 84 ARG CA C 84 54.383 55.499 -1.116 1
1 827 . 8 1 1 A 84 84 ARG CB C 84 32.969 30.810 2.159 1
1 830 . 8 1 1 A 84 84 ARG N N 84 127.552 120.994 6.558 1
1 831 . 8 1 1 A 85 85 LEU H H 85 10.121 9.284 0.837 1
1 832 . 8 1 1 A 85 85 LEU HA H 85 5.232 5.475 -0.243 1
1 842 . 8 1 1 A 85 85 LEU CA C 85 53.442 53.523 -0.081 1
1 843 . 8 1 1 A 85 85 LEU CB C 85 45.431 42.995 2.436 1
1 847 . 8 1 1 A 85 85 LEU N N 85 128.946 126.808 2.138 1
1 848 . 8 1 1 A 86 86 THR H H 86 9.594 9.174 0.420 1
1 849 . 8 1 1 A 86 86 THR HA H 86 5.081 4.776 0.305 1
1 854 . 8 1 1 A 86 86 THR CA C 86 63.525 62.387 1.138 1
1 855 . 8 1 1 A 86 86 THR CB C 86 68.690 69.346 -0.656 1
1 857 . 8 1 1 A 86 86 THR N N 86 121.842 120.183 1.659 1
1 858 . 8 1 1 A 87 87 ILE H H 87 10.109 9.053 1.056 1
1 859 . 8 1 1 A 87 87 ILE HA H 87 4.539 4.749 -0.210 1
1 869 . 8 1 1 A 87 87 ILE CA C 87 58.954 58.315 0.639 1
1 870 . 8 1 1 A 87 87 ILE CB C 87 40.704 38.733 1.971 1
1 874 . 8 1 1 A 87 87 ILE N N 87 129.512 128.312 1.200 1
1 875 . 8 1 1 A 88 88 PRO HA H 88 4.981 4.716 0.265 1
1 882 . 8 1 1 A 88 88 PRO CA C 88 61.675 61.865 -0.190 1
1 883 . 8 1 1 A 88 88 PRO CB C 88 30.917 32.643 -1.726 1
1 886 . 8 1 1 A 89 89 PRO HA H 89 4.439 4.328 0.111 1
1 893 . 8 1 1 A 89 89 PRO CA C 89 65.384 65.335 0.049 1
1 894 . 8 1 1 A 89 89 PRO CB C 89 30.913 32.097 -1.184 1
1 897 . 8 1 1 A 90 90 GLN H H 90 9.574 8.909 0.665 1
1 898 . 8 1 1 A 90 90 GLN HA H 90 4.296 4.198 0.098 1
1 905 . 8 1 1 A 90 90 GLN CA C 90 58.441 57.502 0.939 1
1 906 . 8 1 1 A 90 90 GLN CB C 90 26.402 27.394 -0.992 1
1 908 . 8 1 1 A 90 90 GLN N N 90 118.710 115.533 3.177 1
1 910 . 8 1 1 A 91 91 LEU H H 91 7.976 7.425 0.551 1
1 911 . 8 1 1 A 91 91 LEU HA H 91 4.636 4.622 0.014 1
1 921 . 8 1 1 A 91 91 LEU CA C 91 53.625 54.319 -0.694 1
1 922 . 8 1 1 A 91 91 LEU CB C 91 42.819 43.500 -0.681 1
1 926 . 8 1 1 A 91 91 LEU N N 91 119.302 118.697 0.605 1
1 927 . 8 1 1 A 92 92 GLY H H 92 7.717 7.811 -0.094 1
1 928 . 8 1 1 A 92 92 GLY HA2 H 92 3.258 4.165 -0.907 1
1 929 . 8 1 1 A 92 92 GLY HA3 H 92 4.121 4.220 -0.099 1
1 930 . 8 1 1 A 92 92 GLY CA C 92 45.183 46.046 -0.863 1
1 931 . 8 1 1 A 92 92 GLY N N 92 110.415 107.155 3.260 1
1 932 . 8 1 1 A 93 93 TYR H H 93 9.662 8.699 0.963 1
1 933 . 8 1 1 A 93 93 TYR HA H 93 4.513 4.268 0.245 1
1 940 . 8 1 1 A 93 93 TYR CA C 93 58.603 60.762 -2.159 1
1 941 . 8 1 1 A 93 93 TYR CB C 93 37.762 38.872 -1.110 1
1 942 . 8 1 1 A 93 93 TYR N N 93 126.998 122.845 4.153 1
1 943 . 8 1 1 A 94 94 GLY H H 94 8.467 7.969 0.498 1
1 944 . 8 1 1 A 94 94 GLY HA2 H 94 3.633 4.108 -0.475 1
1 945 . 8 1 1 A 94 94 GLY HA3 H 94 3.888 4.118 -0.230 1
1 946 . 8 1 1 A 94 94 GLY CA C 94 47.023 43.702 3.321 1
1 947 . 8 1 1 A 94 94 GLY N N 94 108.486 105.626 2.860 1
1 948 . 8 1 1 A 95 95 ALA H H 95 7.636 8.551 -0.915 1
1 949 . 8 1 1 A 95 95 ALA HA H 95 4.151 4.454 -0.303 1
1 953 . 8 1 1 A 95 95 ALA CA C 95 53.326 52.951 0.375 1
1 954 . 8 1 1 A 95 95 ALA CB C 95 18.831 18.886 -0.055 1
1 955 . 8 1 1 A 96 96 ARG H H 96 7.910 7.938 -0.028 1
1 956 . 8 1 1 A 96 96 ARG HA H 96 4.227 4.228 -0.001 1
1 963 . 8 1 1 A 96 96 ARG CA C 96 57.514 57.859 -0.345 1
1 964 . 8 1 1 A 96 96 ARG CB C 96 31.353 31.067 0.286 1
1 967 . 8 1 1 A 96 96 ARG N N 96 115.669 118.147 -2.478 1
1 968 . 8 1 1 A 97 97 GLY H H 97 6.917 7.916 -0.999 1
1 969 . 8 1 1 A 97 97 GLY HA2 H 97 3.272 4.025 -0.753 1
1 970 . 8 1 1 A 97 97 GLY HA3 H 97 3.908 4.063 -0.155 1
1 971 . 8 1 1 A 97 97 GLY CA C 97 44.693 44.849 -0.156 1
1 972 . 8 1 1 A 97 97 GLY N N 97 103.795 107.471 -3.676 1
1 973 . 8 1 1 A 98 98 ALA H H 98 8.187 8.627 -0.440 1
1 974 . 8 1 1 A 98 98 ALA HA H 98 4.287 4.629 -0.342 1
1 978 . 8 1 1 A 98 98 ALA CA C 98 52.717 52.067 0.650 1
1 979 . 8 1 1 A 98 98 ALA CB C 98 20.563 21.072 -0.509 1
1 980 . 8 1 1 A 98 98 ALA N N 98 118.770 122.248 -3.478 1
1 981 . 8 1 1 A 99 99 GLY H H 99 8.904 7.593 1.311 1
1 982 . 8 1 1 A 99 99 GLY HA2 H 99 3.670 4.048 -0.378 1
1 983 . 8 1 1 A 99 99 GLY HA3 H 99 3.854 4.055 -0.201 1
1 984 . 8 1 1 A 99 99 GLY CA C 99 46.848 45.813 1.035 1
1 985 . 8 1 1 A 99 99 GLY N N 99 109.717 104.105 5.612 1
1 986 . 8 1 1 A 100 100 GLY H H 100 8.759 8.972 -0.213 1
1 987 . 8 1 1 A 100 100 GLY HA2 H 100 3.719 3.832 -0.113 1
1 988 . 8 1 1 A 100 100 GLY HA3 H 100 4.041 3.835 0.206 1
1 989 . 8 1 1 A 100 100 GLY CA C 100 45.655 47.282 -1.627 1
1 990 . 8 1 1 A 100 100 GLY N N 100 110.895 108.809 2.086 1
1 991 . 8 1 1 A 101 101 VAL H H 101 7.631 8.159 -0.528 1
1 992 . 8 1 1 A 101 101 VAL HA H 101 4.226 4.024 0.202 1
1 1000 . 8 1 1 A 101 101 VAL CA C 101 62.518 63.746 -1.228 1
1 1001 . 8 1 1 A 101 101 VAL CB C 101 34.660 31.684 2.976 1
1 1004 . 8 1 1 A 101 101 VAL N N 101 115.165 121.424 -6.259 1
1 1005 . 8 1 1 A 102 102 ILE H H 102 7.686 7.674 0.012 1
1 1006 . 8 1 1 A 102 102 ILE HA H 102 4.351 4.415 -0.064 1
1 1016 . 8 1 1 A 102 102 ILE CA C 102 57.498 58.094 -0.596 1
1 1017 . 8 1 1 A 102 102 ILE CB C 102 38.189 38.571 -0.382 1
1 1021 . 8 1 1 A 102 102 ILE N N 102 120.043 123.384 -3.341 1
1 1022 . 8 1 1 A 103 103 PRO HA H 103 4.727 4.717 0.010 1
1 1029 . 8 1 1 A 103 103 PRO CA C 103 61.614 61.722 -0.108 1
1 1030 . 8 1 1 A 103 103 PRO CB C 103 31.055 32.518 -1.463 1
1 1033 . 8 1 1 A 104 104 PRO HA H 104 3.778 4.459 -0.681 1
1 1040 . 8 1 1 A 104 104 PRO CA C 104 63.599 64.759 -1.160 1
1 1041 . 8 1 1 A 104 104 PRO CB C 104 33.183 31.729 1.454 1
1 1044 . 8 1 1 A 105 105 ASN H H 105 8.581 8.228 0.353 1
1 1045 . 8 1 1 A 105 105 ASN HA H 105 3.928 5.030 -1.102 1
1 1050 . 8 1 1 A 105 105 ASN CA C 105 54.447 52.393 2.054 1
1 1051 . 8 1 1 A 105 105 ASN CB C 105 37.280 38.846 -1.566 1
1 1052 . 8 1 1 A 105 105 ASN N N 105 117.269 115.369 1.900 1
1 1054 . 8 1 1 A 106 106 ALA H H 106 7.637 7.189 0.448 1
1 1055 . 8 1 1 A 106 106 ALA HA H 106 4.456 4.354 0.102 1
1 1059 . 8 1 1 A 106 106 ALA CA C 106 52.493 52.382 0.111 1
1 1060 . 8 1 1 A 106 106 ALA CB C 106 20.938 19.626 1.312 1
1 1061 . 8 1 1 A 106 106 ALA N N 106 121.257 122.329 -1.072 1
1 1062 . 8 1 1 A 107 107 THR H H 107 8.492 8.540 -0.048 1
1 1063 . 8 1 1 A 107 107 THR HA H 107 4.781 5.003 -0.222 1
1 1068 . 8 1 1 A 107 107 THR CA C 107 63.319 61.662 1.657 1
1 1069 . 8 1 1 A 107 107 THR CB C 107 69.430 71.214 -1.784 1
1 1071 . 8 1 1 A 107 107 THR N N 107 121.742 116.738 5.004 1
1 1072 . 8 1 1 A 108 108 LEU H H 108 8.900 8.889 0.011 1
1 1073 . 8 1 1 A 108 108 LEU HA H 108 5.132 5.180 -0.048 1
1 1083 . 8 1 1 A 108 108 LEU CA C 108 52.950 53.661 -0.711 1
1 1084 . 8 1 1 A 108 108 LEU CB C 108 46.730 44.028 2.702 1
1 1088 . 8 1 1 A 108 108 LEU N N 108 125.279 125.833 -0.554 1
1 1089 . 8 1 1 A 109 109 VAL H H 109 8.933 8.882 0.051 1
1 1090 . 8 1 1 A 109 109 VAL HA H 109 5.532 4.901 0.631 1
1 1098 . 8 1 1 A 109 109 VAL CA C 109 60.793 61.596 -0.803 1
1 1099 . 8 1 1 A 109 109 VAL CB C 109 34.138 33.391 0.747 1
1 1102 . 8 1 1 A 109 109 VAL N N 109 122.496 125.557 -3.061 1
1 1103 . 8 1 1 A 110 110 PHE H H 110 9.737 9.034 0.703 1
1 1104 . 8 1 1 A 110 110 PHE HA H 110 6.457 5.147 1.310 1
1 1112 . 8 1 1 A 110 110 PHE CA C 110 55.265 56.095 -0.830 1
1 1113 . 8 1 1 A 110 110 PHE CB C 110 44.818 43.110 1.708 1
1 1114 . 8 1 1 A 110 110 PHE N N 110 121.114 123.595 -2.481 1
1 1115 . 8 1 1 A 111 111 GLU H H 111 9.223 8.544 0.679 1
1 1116 . 8 1 1 A 111 111 GLU HA H 111 5.202 4.365 0.837 1
1 1121 . 8 1 1 A 111 111 GLU CA C 111 56.709 55.516 1.193 1
1 1122 . 8 1 1 A 111 111 GLU CB C 111 32.338 29.522 2.816 1
1 1124 . 8 1 1 A 111 111 GLU N N 111 122.210 123.390 -1.180 1
1 1125 . 8 1 1 A 112 112 VAL H H 112 9.269 8.501 0.768 1
1 1126 . 8 1 1 A 112 112 VAL HA H 112 4.796 4.635 0.161 1
1 1134 . 8 1 1 A 112 112 VAL CA C 112 61.127 61.726 -0.599 1
1 1135 . 8 1 1 A 112 112 VAL CB C 112 34.634 32.731 1.903 1
1 1136 . 8 1 1 A 112 112 VAL N N 112 126.195 127.076 -0.881 1
1 1137 . 8 1 1 A 113 113 GLU H H 113 9.545 9.129 0.416 1
1 1138 . 8 1 1 A 113 113 GLU HA H 113 5.483 5.393 0.090 1
1 1143 . 8 1 1 A 113 113 GLU CA C 113 53.159 54.706 -1.547 1
1 1144 . 8 1 1 A 113 113 GLU CB C 113 32.657 31.883 0.774 1
1 1146 . 8 1 1 A 113 113 GLU N N 113 128.111 124.434 3.677 1
1 1147 . 8 1 1 A 114 114 LEU H H 114 8.261 8.800 -0.539 1
1 1148 . 8 1 1 A 114 114 LEU HA H 114 4.634 4.386 0.248 1
1 1158 . 8 1 1 A 114 114 LEU CA C 114 55.217 55.937 -0.720 1
1 1159 . 8 1 1 A 114 114 LEU CB C 114 41.826 42.395 -0.569 1
1 1163 . 8 1 1 A 114 114 LEU N N 114 126.273 127.270 -0.997 1
1 1164 . 8 1 1 A 115 115 LEU H H 115 9.258 9.005 0.253 1
1 1165 . 8 1 1 A 115 115 LEU HA H 115 4.453 4.442 0.011 1
1 1175 . 8 1 1 A 115 115 LEU CA C 115 55.791 56.142 -0.351 1
1 1176 . 8 1 1 A 115 115 LEU CB C 115 42.897 42.486 0.411 1
1 1180 . 8 1 1 A 115 115 LEU N N 115 130.031 128.121 1.910 1
1 1181 . 8 1 1 A 116 116 ASP H H 116 7.748 7.380 0.368 1
1 1182 . 8 1 1 A 116 116 ASP HA H 116 4.672 4.960 -0.288 1
1 1185 . 8 1 1 A 116 116 ASP CA C 116 54.385 53.517 0.868 1
1 1186 . 8 1 1 A 116 116 ASP CB C 116 43.828 43.913 -0.085 1
1 1187 . 8 1 1 A 116 116 ASP N N 116 115.338 113.612 1.726 1
1 1 . 9 1 1 A 3 3 GLY H H 3 8.684 8.236 0.448 1
1 2 . 9 1 1 A 3 3 GLY HA2 H 3 3.959 4.111 -0.152 1
1 3 . 9 1 1 A 3 3 GLY HA3 H 3 3.959 4.115 -0.156 1
1 4 . 9 1 1 A 3 3 GLY N N 3 110.167 109.654 0.513 1
1 5 . 9 1 1 A 4 4 SER H H 4 8.315 8.273 0.042 1
1 6 . 9 1 1 A 4 4 SER HA H 4 4.468 4.500 -0.032 1
1 9 . 9 1 1 A 4 4 SER CA C 4 58.355 58.416 -0.061 1
1 10 . 9 1 1 A 4 4 SER N N 4 115.851 119.682 -3.831 1
1 11 . 9 1 1 A 5 5 MET H H 5 8.640 8.757 -0.117 1
1 12 . 9 1 1 A 5 5 MET HA H 5 4.554 4.915 -0.361 1
1 17 . 9 1 1 A 5 5 MET CA C 5 55.754 54.392 1.362 1
1 18 . 9 1 1 A 5 5 MET CB C 5 32.870 32.522 0.348 1
1 20 . 9 1 1 A 5 5 MET N N 5 122.413 125.949 -3.536 1
1 21 . 9 1 1 A 6 6 THR H H 6 8.265 8.548 -0.283 1
1 22 . 9 1 1 A 6 6 THR HA H 6 4.296 4.289 0.007 1
1 27 . 9 1 1 A 6 6 THR CA C 6 62.224 63.791 -1.567 1
1 28 . 9 1 1 A 6 6 THR CB C 6 69.806 68.973 0.833 1
1 30 . 9 1 1 A 6 6 THR N N 6 116.270 120.706 -4.436 1
1 31 . 9 1 1 A 7 7 VAL H H 7 8.068 9.048 -0.980 1
1 32 . 9 1 1 A 7 7 VAL HA H 7 4.200 4.457 -0.257 1
1 40 . 9 1 1 A 7 7 VAL CA C 7 62.021 61.379 0.642 1
1 41 . 9 1 1 A 7 7 VAL CB C 7 32.773 32.347 0.426 1
1 44 . 9 1 1 A 7 7 VAL N N 7 124.632 128.284 -3.652 1
1 45 . 9 1 1 A 8 8 VAL H H 8 8.985 8.579 0.406 1
1 46 . 9 1 1 A 8 8 VAL HA H 8 3.872 4.196 -0.324 1
1 54 . 9 1 1 A 8 8 VAL CA C 8 61.848 63.140 -1.292 1
1 55 . 9 1 1 A 8 8 VAL CB C 8 33.157 31.297 1.860 1
1 58 . 9 1 1 A 8 8 VAL N N 8 132.503 128.271 4.232 1
1 59 . 9 1 1 A 9 9 THR H H 9 8.213 8.709 -0.496 1
1 60 . 9 1 1 A 9 9 THR HA H 9 5.250 4.906 0.344 1
1 65 . 9 1 1 A 9 9 THR CA C 9 61.040 62.000 -0.960 1
1 66 . 9 1 1 A 9 9 THR CB C 9 69.773 70.810 -1.037 1
1 68 . 9 1 1 A 9 9 THR N N 9 121.386 122.729 -1.343 1
1 69 . 9 1 1 A 10 10 THR H H 10 9.318 8.864 0.454 1
1 70 . 9 1 1 A 10 10 THR HA H 10 4.693 4.852 -0.159 1
1 75 . 9 1 1 A 10 10 THR CA C 10 60.077 60.317 -0.240 1
1 76 . 9 1 1 A 10 10 THR CB C 10 70.131 70.599 -0.468 1
1 78 . 9 1 1 A 10 10 THR N N 10 119.882 115.688 4.194 1
1 79 . 9 1 1 A 11 11 GLU H H 11 9.051 8.986 0.065 1
1 80 . 9 1 1 A 11 11 GLU HA H 11 4.028 4.153 -0.125 1
1 85 . 9 1 1 A 11 11 GLU CA C 11 59.072 58.845 0.227 1
1 86 . 9 1 1 A 11 11 GLU CB C 11 29.516 29.433 0.083 1
1 88 . 9 1 1 A 11 11 GLU N N 11 120.586 120.409 0.177 1
1 89 . 9 1 1 A 12 12 SER H H 12 8.445 7.728 0.717 1
1 90 . 9 1 1 A 12 12 SER HA H 12 4.302 4.558 -0.256 1
1 93 . 9 1 1 A 12 12 SER CA C 12 58.483 58.514 -0.031 1
1 94 . 9 1 1 A 12 12 SER CB C 12 63.034 63.289 -0.255 1
1 95 . 9 1 1 A 12 12 SER N N 12 114.574 113.979 0.595 1
1 96 . 9 1 1 A 13 13 GLY H H 13 7.798 8.265 -0.467 1
1 97 . 9 1 1 A 13 13 GLY HA2 H 13 3.425 3.993 -0.568 1
1 98 . 9 1 1 A 13 13 GLY HA3 H 13 4.401 3.993 0.408 1
1 99 . 9 1 1 A 13 13 GLY CA C 13 44.276 45.277 -1.001 1
1 100 . 9 1 1 A 13 13 GLY N N 13 109.024 109.804 -0.780 1
1 101 . 9 1 1 A 14 14 LEU H H 14 7.501 7.876 -0.375 1
1 102 . 9 1 1 A 14 14 LEU HA H 14 3.967 4.419 -0.452 1
1 112 . 9 1 1 A 14 14 LEU CA C 14 56.343 55.799 0.544 1
1 113 . 9 1 1 A 14 14 LEU CB C 14 41.856 43.111 -1.255 1
1 117 . 9 1 1 A 14 14 LEU N N 14 123.870 123.526 0.344 1
1 118 . 9 1 1 A 15 15 LYS H H 15 7.812 8.455 -0.643 1
1 119 . 9 1 1 A 15 15 LYS HA H 15 5.942 5.252 0.690 1
1 127 . 9 1 1 A 15 15 LYS CA C 15 54.052 54.292 -0.240 1
1 128 . 9 1 1 A 15 15 LYS CB C 15 36.289 36.321 -0.032 1
1 132 . 9 1 1 A 15 15 LYS N N 15 123.667 124.894 -1.227 1
1 133 . 9 1 1 A 16 16 TYR H H 16 9.289 9.104 0.185 1
1 134 . 9 1 1 A 16 16 TYR HA H 16 5.996 5.512 0.484 1
1 141 . 9 1 1 A 16 16 TYR CA C 16 55.784 56.345 -0.561 1
1 142 . 9 1 1 A 16 16 TYR CB C 16 43.297 42.106 1.191 1
1 143 . 9 1 1 A 16 16 TYR N N 16 117.890 117.793 0.097 1
1 144 . 9 1 1 A 17 17 GLU H H 17 8.728 9.331 -0.603 1
1 145 . 9 1 1 A 17 17 GLU HA H 17 4.860 4.805 0.055 1
1 150 . 9 1 1 A 17 17 GLU CA C 17 54.072 54.702 -0.630 1
1 151 . 9 1 1 A 17 17 GLU CB C 17 35.222 33.049 2.173 1
1 152 . 9 1 1 A 17 17 GLU N N 17 118.386 120.060 -1.674 1
1 153 . 9 1 1 A 18 18 ASP H H 18 9.596 8.846 0.750 1
1 154 . 9 1 1 A 18 18 ASP HA H 18 5.296 4.692 0.604 1
1 157 . 9 1 1 A 18 18 ASP CA C 18 55.695 54.339 1.356 1
1 158 . 9 1 1 A 18 18 ASP CB C 18 40.940 41.586 -0.646 1
1 159 . 9 1 1 A 18 18 ASP N N 18 127.059 123.136 3.923 1
1 160 . 9 1 1 A 19 19 LEU H H 19 8.609 9.156 -0.547 1
1 161 . 9 1 1 A 19 19 LEU HA H 19 4.275 4.463 -0.188 1
1 171 . 9 1 1 A 19 19 LEU CA C 19 56.923 56.111 0.812 1
1 172 . 9 1 1 A 19 19 LEU CB C 19 41.074 43.049 -1.975 1
1 176 . 9 1 1 A 19 19 LEU N N 19 128.620 123.142 5.478 1
1 177 . 9 1 1 A 20 20 THR H H 20 8.136 8.351 -0.215 1
1 178 . 9 1 1 A 20 20 THR HA H 20 4.400 4.883 -0.483 1
1 183 . 9 1 1 A 20 20 THR CA C 20 61.835 61.223 0.612 1
1 184 . 9 1 1 A 20 20 THR CB C 20 72.411 71.915 0.496 1
1 186 . 9 1 1 A 20 20 THR N N 20 112.473 111.109 1.364 1
1 187 . 9 1 1 A 21 21 GLU H H 21 9.354 8.782 0.572 1
1 188 . 9 1 1 A 21 21 GLU HA H 21 4.370 4.190 0.180 1
1 193 . 9 1 1 A 21 21 GLU CA C 21 56.277 57.590 -1.313 1
1 194 . 9 1 1 A 21 21 GLU CB C 21 30.368 30.718 -0.350 1
1 196 . 9 1 1 A 21 21 GLU N N 21 130.043 126.059 3.984 1
1 197 . 9 1 1 A 22 22 GLY H H 22 9.071 8.315 0.756 1
1 198 . 9 1 1 A 22 22 GLY HA2 H 22 3.446 4.059 -0.613 1
1 199 . 9 1 1 A 22 22 GLY HA3 H 22 3.742 4.060 -0.318 1
1 200 . 9 1 1 A 22 22 GLY CA C 22 45.343 46.127 -0.784 1
1 201 . 9 1 1 A 22 22 GLY N N 22 113.930 109.529 4.401 1
1 202 . 9 1 1 A 23 23 SER H H 23 8.040 8.315 -0.275 1
1 203 . 9 1 1 A 23 23 SER HA H 23 4.671 4.148 0.523 1
1 206 . 9 1 1 A 23 23 SER CA C 23 57.488 59.108 -1.620 1
1 207 . 9 1 1 A 23 23 SER CB C 23 65.069 61.559 3.510 1
1 208 . 9 1 1 A 23 23 SER N N 23 111.747 110.906 0.841 1
1 209 . 9 1 1 A 24 24 GLY H H 24 8.418 8.273 0.145 1
1 210 . 9 1 1 A 24 24 GLY HA2 H 24 3.693 4.133 -0.440 1
1 211 . 9 1 1 A 24 24 GLY HA3 H 24 4.328 4.133 0.195 1
1 212 . 9 1 1 A 24 24 GLY CA C 24 44.138 45.812 -1.674 1
1 213 . 9 1 1 A 24 24 GLY N N 24 111.391 111.506 -0.115 1
1 214 . 9 1 1 A 25 25 ALA H H 25 8.342 8.286 0.056 1
1 215 . 9 1 1 A 25 25 ALA HA H 25 4.061 5.042 -0.981 1
1 219 . 9 1 1 A 25 25 ALA CA C 25 52.551 51.035 1.516 1
1 220 . 9 1 1 A 25 25 ALA CB C 25 19.752 22.415 -2.663 1
1 221 . 9 1 1 A 25 25 ALA N N 25 123.675 123.949 -0.274 1
1 222 . 9 1 1 A 26 26 GLU H H 26 8.194 8.622 -0.428 1
1 223 . 9 1 1 A 26 26 GLU HA H 26 4.498 4.796 -0.298 1
1 228 . 9 1 1 A 26 26 GLU CA C 26 55.174 56.797 -1.623 1
1 229 . 9 1 1 A 26 26 GLU CB C 26 31.906 30.013 1.893 1
1 231 . 9 1 1 A 26 26 GLU N N 26 119.186 123.598 -4.412 1
1 232 . 9 1 1 A 27 27 ALA H H 27 8.930 8.177 0.753 1
1 233 . 9 1 1 A 27 27 ALA HA H 27 4.527 4.235 0.292 1
1 237 . 9 1 1 A 27 27 ALA CA C 27 51.815 52.916 -1.101 1
1 238 . 9 1 1 A 27 27 ALA CB C 27 19.057 19.347 -0.290 1
1 239 . 9 1 1 A 27 27 ALA N N 27 127.513 127.729 -0.216 1
1 240 . 9 1 1 A 28 28 ARG H H 28 8.348 8.754 -0.406 1
1 241 . 9 1 1 A 28 28 ARG HA H 28 4.563 4.888 -0.325 1
1 246 . 9 1 1 A 28 28 ARG CA C 28 53.584 53.816 -0.232 1
1 247 . 9 1 1 A 28 28 ARG CB C 28 33.571 33.688 -0.117 1
1 250 . 9 1 1 A 28 28 ARG N N 28 124.054 119.784 4.270 1
1 251 . 9 1 1 A 29 29 ALA H H 29 8.387 8.617 -0.230 1
1 252 . 9 1 1 A 29 29 ALA HA H 29 3.594 3.916 -0.322 1
1 256 . 9 1 1 A 29 29 ALA CA C 29 53.535 53.891 -0.356 1
1 257 . 9 1 1 A 29 29 ALA CB C 29 17.781 18.427 -0.646 1
1 258 . 9 1 1 A 29 29 ALA N N 29 122.289 126.733 -4.444 1
1 259 . 9 1 1 A 30 30 GLY H H 30 9.043 9.004 0.039 1
1 260 . 9 1 1 A 30 30 GLY HA2 H 30 3.451 4.006 -0.555 1
1 261 . 9 1 1 A 30 30 GLY HA3 H 30 4.378 4.006 0.372 1
1 262 . 9 1 1 A 30 30 GLY CA C 30 44.562 45.074 -0.512 1
1 263 . 9 1 1 A 30 30 GLY N N 30 110.956 111.099 -0.143 1
1 264 . 9 1 1 A 31 31 GLN H H 31 7.620 7.645 -0.025 1
1 265 . 9 1 1 A 31 31 GLN HA H 31 4.343 4.573 -0.230 1
1 272 . 9 1 1 A 31 31 GLN CA C 31 55.410 55.206 0.204 1
1 273 . 9 1 1 A 31 31 GLN CB C 31 30.151 30.291 -0.140 1
1 275 . 9 1 1 A 31 31 GLN N N 31 119.756 118.591 1.165 1
1 277 . 9 1 1 A 32 32 THR H H 32 8.793 8.550 0.243 1
1 278 . 9 1 1 A 32 32 THR HA H 32 4.463 4.852 -0.389 1
1 283 . 9 1 1 A 32 32 THR CA C 32 63.072 62.193 0.879 1
1 284 . 9 1 1 A 32 32 THR CB C 32 68.380 69.973 -1.593 1
1 286 . 9 1 1 A 32 32 THR N N 32 119.718 118.530 1.188 1
1 287 . 9 1 1 A 33 33 VAL H H 33 8.393 8.606 -0.213 1
1 288 . 9 1 1 A 33 33 VAL HA H 33 4.712 4.845 -0.133 1
1 296 . 9 1 1 A 33 33 VAL CA C 33 58.274 59.043 -0.769 1
1 297 . 9 1 1 A 33 33 VAL CB C 33 33.309 36.145 -2.836 1
1 300 . 9 1 1 A 33 33 VAL N N 33 120.513 119.626 0.887 1
1 301 . 9 1 1 A 34 34 SER H H 34 7.865 8.704 -0.839 1
1 302 . 9 1 1 A 34 34 SER HA H 34 5.262 5.475 -0.213 1
1 305 . 9 1 1 A 34 34 SER CA C 34 56.443 57.910 -1.467 1
1 306 . 9 1 1 A 34 34 SER CB C 34 64.882 64.479 0.403 1
1 307 . 9 1 1 A 34 34 SER N N 34 113.652 118.871 -5.219 1
1 308 . 9 1 1 A 35 35 VAL H H 35 9.531 9.328 0.203 1
1 309 . 9 1 1 A 35 35 VAL HA H 35 5.715 5.191 0.524 1
1 317 . 9 1 1 A 35 35 VAL CA C 35 58.226 58.994 -0.768 1
1 318 . 9 1 1 A 35 35 VAL CB C 35 35.412 36.096 -0.684 1
1 321 . 9 1 1 A 35 35 VAL N N 35 117.985 119.905 -1.920 1
1 322 . 9 1 1 A 36 36 HIS H H 36 8.812 8.900 -0.088 1
1 323 . 9 1 1 A 36 36 HIS HA H 36 5.784 5.562 0.222 1
1 328 . 9 1 1 A 36 36 HIS CA C 36 54.671 53.953 0.718 1
1 329 . 9 1 1 A 36 36 HIS CB C 36 35.786 32.192 3.594 1
1 330 . 9 1 1 A 36 36 HIS N N 36 118.227 120.218 -1.991 1
1 331 . 9 1 1 A 37 37 TYR H H 37 9.680 8.515 1.165 1
1 332 . 9 1 1 A 37 37 TYR HA H 37 6.201 5.788 0.413 1
1 339 . 9 1 1 A 37 37 TYR CA C 37 56.280 55.387 0.893 1
1 340 . 9 1 1 A 37 37 TYR CB C 37 43.791 41.253 2.538 1
1 341 . 9 1 1 A 37 37 TYR N N 37 116.878 119.807 -2.929 1
1 342 . 9 1 1 A 38 38 THR H H 38 8.478 8.720 -0.242 1
1 343 . 9 1 1 A 38 38 THR HA H 38 4.374 4.636 -0.262 1
1 348 . 9 1 1 A 38 38 THR CA C 38 62.692 59.704 2.988 1
1 349 . 9 1 1 A 38 38 THR CB C 38 71.675 69.763 1.912 1
1 351 . 9 1 1 A 38 38 THR N N 38 117.172 118.063 -0.891 1
1 352 . 9 1 1 A 39 39 GLY H H 39 8.332 8.353 -0.021 1
1 353 . 9 1 1 A 39 39 GLY HA2 H 39 1.943 2.322 -0.379 1
1 354 . 9 1 1 A 39 39 GLY HA3 H 39 4.624 2.844 1.780 1
1 355 . 9 1 1 A 39 39 GLY CA C 39 44.767 44.755 0.012 1
1 356 . 9 1 1 A 39 39 GLY N N 39 113.042 111.900 1.142 1
1 357 . 9 1 1 A 40 40 TRP H H 40 9.669 8.761 0.908 1
1 358 . 9 1 1 A 40 40 TRP HA H 40 5.499 5.679 -0.180 1
1 366 . 9 1 1 A 40 40 TRP CA C 40 57.026 55.798 1.228 1
1 367 . 9 1 1 A 40 40 TRP CB C 40 34.177 33.069 1.108 1
1 368 . 9 1 1 A 40 40 TRP N N 40 123.550 125.823 -2.273 1
1 370 . 9 1 1 A 41 41 LEU H H 41 8.699 9.219 -0.520 1
1 371 . 9 1 1 A 41 41 LEU HA H 41 5.056 4.777 0.279 1
1 381 . 9 1 1 A 41 41 LEU CA C 41 54.040 53.851 0.189 1
1 382 . 9 1 1 A 41 41 LEU CB C 41 41.981 42.382 -0.401 1
1 386 . 9 1 1 A 41 41 LEU N N 41 119.318 123.554 -4.236 1
1 387 . 9 1 1 A 42 42 THR H H 42 9.418 8.794 0.624 1
1 388 . 9 1 1 A 42 42 THR HA H 42 3.962 4.069 -0.107 1
1 393 . 9 1 1 A 42 42 THR CA C 42 65.117 64.728 0.389 1
1 394 . 9 1 1 A 42 42 THR CB C 42 68.693 68.509 0.184 1
1 396 . 9 1 1 A 42 42 THR N N 42 112.465 116.567 -4.102 1
1 397 . 9 1 1 A 43 43 ASP H H 43 7.690 7.873 -0.183 1
1 398 . 9 1 1 A 43 43 ASP HA H 43 4.538 4.654 -0.116 1
1 401 . 9 1 1 A 43 43 ASP CA C 43 53.655 54.060 -0.405 1
1 402 . 9 1 1 A 43 43 ASP CB C 43 40.109 41.632 -1.523 1
1 403 . 9 1 1 A 43 43 ASP N N 43 118.952 120.061 -1.109 1
1 404 . 9 1 1 A 44 44 GLY H H 44 8.043 7.966 0.077 1
1 405 . 9 1 1 A 44 44 GLY HA2 H 44 3.521 3.928 -0.407 1
1 406 . 9 1 1 A 44 44 GLY HA3 H 44 4.318 3.948 0.370 1
1 407 . 9 1 1 A 44 44 GLY CA C 44 44.869 44.920 -0.051 1
1 408 . 9 1 1 A 44 44 GLY N N 44 107.790 105.911 1.879 1
1 409 . 9 1 1 A 45 45 GLN H H 45 8.355 7.686 0.669 1
1 410 . 9 1 1 A 45 45 GLN HA H 45 4.319 4.296 0.023 1
1 417 . 9 1 1 A 45 45 GLN CA C 45 56.909 55.986 0.923 1
1 418 . 9 1 1 A 45 45 GLN CB C 45 29.837 29.972 -0.135 1
1 420 . 9 1 1 A 45 45 GLN N N 45 121.541 119.742 1.799 1
1 422 . 9 1 1 A 46 46 LYS H H 46 8.915 8.520 0.395 1
1 423 . 9 1 1 A 46 46 LYS HA H 46 4.454 5.168 -0.714 1
1 432 . 9 1 1 A 46 46 LYS CA C 46 55.782 55.297 0.485 1
1 433 . 9 1 1 A 46 46 LYS CB C 46 33.097 34.546 -1.449 1
1 437 . 9 1 1 A 46 46 LYS N N 46 129.310 124.045 5.265 1
1 438 . 9 1 1 A 47 47 PHE H H 47 8.440 8.764 -0.324 1
1 439 . 9 1 1 A 47 47 PHE HA H 47 5.103 4.998 0.105 1
1 447 . 9 1 1 A 47 47 PHE CA C 47 56.272 56.593 -0.321 1
1 448 . 9 1 1 A 47 47 PHE CB C 47 41.094 40.463 0.631 1
1 449 . 9 1 1 A 47 47 PHE N N 47 122.874 122.725 0.149 1
1 450 . 9 1 1 A 48 48 ASP H H 48 6.744 7.521 -0.777 1
1 451 . 9 1 1 A 48 48 ASP HA H 48 4.790 4.861 -0.071 1
1 454 . 9 1 1 A 48 48 ASP CA C 48 54.518 54.278 0.240 1
1 455 . 9 1 1 A 48 48 ASP CB C 48 43.929 44.130 -0.201 1
1 456 . 9 1 1 A 48 48 ASP N N 48 118.152 119.682 -1.530 1
1 457 . 9 1 1 A 49 49 SER H H 49 8.122 8.474 -0.352 1
1 458 . 9 1 1 A 49 49 SER HA H 49 4.608 4.896 -0.288 1
1 461 . 9 1 1 A 49 49 SER CA C 49 56.963 56.633 0.330 1
1 462 . 9 1 1 A 49 49 SER CB C 49 64.699 66.160 -1.461 1
1 463 . 9 1 1 A 49 49 SER N N 49 117.585 119.437 -1.852 1
1 464 . 9 1 1 A 50 50 SER H H 50 8.020 8.421 -0.401 1
1 465 . 9 1 1 A 50 50 SER HA H 50 4.045 3.984 0.061 1
1 468 . 9 1 1 A 50 50 SER CA C 50 61.482 61.199 0.283 1
1 469 . 9 1 1 A 50 50 SER CB C 50 61.488 62.838 -1.350 1
1 470 . 9 1 1 A 50 50 SER N N 50 124.801 119.479 5.322 1
1 471 . 9 1 1 A 51 51 LYS H H 51 7.730 8.260 -0.530 1
1 472 . 9 1 1 A 51 51 LYS HA H 51 3.505 4.083 -0.578 1
1 481 . 9 1 1 A 51 51 LYS CA C 51 58.921 59.004 -0.083 1
1 482 . 9 1 1 A 51 51 LYS CB C 51 31.346 31.486 -0.140 1
1 486 . 9 1 1 A 51 51 LYS N N 51 124.103 122.948 1.155 1
1 487 . 9 1 1 A 52 52 ASP H H 52 7.324 8.195 -0.871 1
1 488 . 9 1 1 A 52 52 ASP HA H 52 4.284 4.292 -0.008 1
1 491 . 9 1 1 A 52 52 ASP CA C 52 56.524 57.662 -1.138 1
1 492 . 9 1 1 A 52 52 ASP CB C 52 40.201 41.897 -1.696 1
1 493 . 9 1 1 A 52 52 ASP N N 52 118.971 119.990 -1.019 1
1 494 . 9 1 1 A 53 53 ARG H H 53 6.923 7.502 -0.579 1
1 495 . 9 1 1 A 53 53 ARG HA H 53 4.461 4.304 0.157 1
1 502 . 9 1 1 A 53 53 ARG CA C 53 55.597 58.020 -2.423 1
1 503 . 9 1 1 A 53 53 ARG CB C 53 31.289 30.923 0.366 1
1 506 . 9 1 1 A 53 53 ARG N N 53 114.803 119.451 -4.648 1
1 507 . 9 1 1 A 54 54 ASN H H 54 7.827 7.991 -0.164 1
1 508 . 9 1 1 A 54 54 ASN HA H 54 4.352 4.337 0.015 1
1 513 . 9 1 1 A 54 54 ASN CA C 54 54.339 54.681 -0.342 1
1 514 . 9 1 1 A 54 54 ASN CB C 54 37.849 36.695 1.154 1
1 515 . 9 1 1 A 54 54 ASN N N 54 117.421 116.571 0.850 1
1 517 . 9 1 1 A 55 55 ASP H H 55 7.580 7.869 -0.289 1
1 518 . 9 1 1 A 55 55 ASP HA H 55 5.360 5.081 0.279 1
1 521 . 9 1 1 A 55 55 ASP CA C 55 51.697 52.241 -0.544 1
1 522 . 9 1 1 A 55 55 ASP CB C 55 43.377 44.129 -0.752 1
1 523 . 9 1 1 A 55 55 ASP N N 55 115.802 117.709 -1.907 1
1 524 . 9 1 1 A 56 56 PRO HA H 56 4.022 3.862 0.160 1
1 531 . 9 1 1 A 56 56 PRO CA C 56 63.115 62.346 0.769 1
1 532 . 9 1 1 A 56 56 PRO CB C 56 32.348 32.223 0.125 1
1 535 . 9 1 1 A 57 57 PHE H H 57 9.207 8.474 0.733 1
1 536 . 9 1 1 A 57 57 PHE HA H 57 4.874 4.841 0.033 1
1 544 . 9 1 1 A 57 57 PHE CA C 57 57.290 57.122 0.168 1
1 545 . 9 1 1 A 57 57 PHE CB C 57 42.517 40.171 2.346 1
1 546 . 9 1 1 A 57 57 PHE N N 57 124.509 123.171 1.338 1
1 547 . 9 1 1 A 58 58 ALA H H 58 7.942 8.796 -0.854 1
1 548 . 9 1 1 A 58 58 ALA HA H 58 5.928 5.190 0.738 1
1 552 . 9 1 1 A 58 58 ALA CA C 58 49.705 50.605 -0.900 1
1 553 . 9 1 1 A 58 58 ALA CB C 58 21.621 20.585 1.036 1
1 554 . 9 1 1 A 58 58 ALA N N 58 130.661 130.023 0.638 1
1 555 . 9 1 1 A 59 59 PHE H H 59 8.455 8.497 -0.042 1
1 556 . 9 1 1 A 59 59 PHE HA H 59 4.660 4.969 -0.309 1
1 564 . 9 1 1 A 59 59 PHE CA C 59 55.610 55.527 0.083 1
1 565 . 9 1 1 A 59 59 PHE CB C 59 40.857 40.719 0.138 1
1 566 . 9 1 1 A 59 59 PHE N N 59 114.967 117.834 -2.867 1
1 567 . 9 1 1 A 60 60 VAL H H 60 8.168 8.825 -0.657 1
1 568 . 9 1 1 A 60 60 VAL HA H 60 4.084 4.120 -0.036 1
1 576 . 9 1 1 A 60 60 VAL CA C 60 61.907 62.115 -0.208 1
1 577 . 9 1 1 A 60 60 VAL CB C 60 31.564 32.300 -0.736 1
1 580 . 9 1 1 A 60 60 VAL N N 60 120.308 120.290 0.018 1
1 581 . 9 1 1 A 61 61 LEU H H 61 8.900 8.452 0.448 1
1 582 . 9 1 1 A 61 61 LEU HA H 61 4.248 3.978 0.270 1
1 592 . 9 1 1 A 61 61 LEU CA C 61 56.558 56.008 0.550 1
1 593 . 9 1 1 A 61 61 LEU CB C 61 41.736 42.030 -0.294 1
1 597 . 9 1 1 A 61 61 LEU N N 61 134.513 128.577 5.936 1
1 598 . 9 1 1 A 62 62 GLY H H 62 9.652 8.991 0.661 1
1 599 . 9 1 1 A 62 62 GLY HA2 H 62 3.558 3.981 -0.423 1
1 600 . 9 1 1 A 62 62 GLY HA3 H 62 4.154 4.006 0.148 1
1 601 . 9 1 1 A 62 62 GLY CA C 62 45.721 46.158 -0.437 1
1 602 . 9 1 1 A 62 62 GLY N N 62 119.352 114.325 5.027 1
1 603 . 9 1 1 A 63 63 GLY H H 63 8.338 8.335 0.003 1
1 604 . 9 1 1 A 63 63 GLY HA2 H 63 3.557 3.988 -0.431 1
1 605 . 9 1 1 A 63 63 GLY HA3 H 63 4.298 4.027 0.271 1
1 606 . 9 1 1 A 63 63 GLY CA C 63 45.442 46.649 -1.207 1
1 607 . 9 1 1 A 63 63 GLY N N 63 107.002 108.206 -1.204 1
1 608 . 9 1 1 A 64 64 GLY H H 64 9.301 7.988 1.313 1
1 609 . 9 1 1 A 64 64 GLY HA2 H 64 4.057 4.015 0.042 1
1 610 . 9 1 1 A 64 64 GLY HA3 H 64 4.057 4.022 0.035 1
1 611 . 9 1 1 A 64 64 GLY CA C 64 46.425 45.386 1.039 1
1 612 . 9 1 1 A 64 64 GLY N N 64 112.092 107.320 4.772 1
1 613 . 9 1 1 A 65 65 MET H H 65 9.574 8.151 1.423 1
1 614 . 9 1 1 A 65 65 MET HA H 65 4.546 4.275 0.271 1
1 619 . 9 1 1 A 65 65 MET CA C 65 55.641 57.841 -2.200 1
1 620 . 9 1 1 A 65 65 MET CB C 65 33.268 32.602 0.666 1
1 622 . 9 1 1 A 65 65 MET N N 65 118.659 117.933 0.726 1
1 623 . 9 1 1 A 66 66 VAL H H 66 6.867 7.397 -0.530 1
1 624 . 9 1 1 A 66 66 VAL HA H 66 4.454 4.023 0.431 1
1 632 . 9 1 1 A 66 66 VAL CA C 66 57.545 60.726 -3.181 1
1 633 . 9 1 1 A 66 66 VAL CB C 66 35.736 33.217 2.519 1
1 636 . 9 1 1 A 66 66 VAL N N 66 108.649 114.720 -6.071 1
1 637 . 9 1 1 A 67 67 ILE H H 67 7.158 7.653 -0.495 1
1 638 . 9 1 1 A 67 67 ILE HA H 67 3.894 4.126 -0.232 1
1 648 . 9 1 1 A 67 67 ILE CA C 67 62.065 61.484 0.581 1
1 649 . 9 1 1 A 67 67 ILE CB C 67 37.130 38.737 -1.607 1
1 653 . 9 1 1 A 67 67 ILE N N 67 111.614 117.907 -6.293 1
1 654 . 9 1 1 A 68 68 LYS H H 68 9.182 8.948 0.234 1
1 655 . 9 1 1 A 68 68 LYS HA H 68 4.241 3.950 0.291 1
1 664 . 9 1 1 A 68 68 LYS CA C 68 60.042 59.623 0.419 1
1 665 . 9 1 1 A 68 68 LYS CB C 68 33.366 32.232 1.134 1
1 669 . 9 1 1 A 68 68 LYS N N 68 125.685 123.518 2.167 1
1 670 . 9 1 1 A 69 69 GLY H H 69 9.653 8.279 1.374 1
1 671 . 9 1 1 A 69 69 GLY HA2 H 69 3.595 3.797 -0.202 1
1 672 . 9 1 1 A 69 69 GLY HA3 H 69 3.971 3.827 0.144 1
1 673 . 9 1 1 A 69 69 GLY CA C 69 47.597 47.387 0.210 1
1 674 . 9 1 1 A 69 69 GLY N N 69 102.438 107.251 -4.813 1
1 675 . 9 1 1 A 70 70 TRP H H 70 7.745 7.855 -0.110 1
1 676 . 9 1 1 A 70 70 TRP HA H 70 4.152 4.542 -0.390 1
1 684 . 9 1 1 A 70 70 TRP CA C 70 60.737 60.506 0.231 1
1 685 . 9 1 1 A 70 70 TRP CB C 70 29.185 28.264 0.921 1
1 686 . 9 1 1 A 70 70 TRP N N 70 120.118 121.236 -1.118 1
1 687 . 9 1 1 A 71 71 ASP H H 71 7.058 8.411 -1.353 1
1 688 . 9 1 1 A 71 71 ASP HA H 71 4.878 4.339 0.539 1
1 691 . 9 1 1 A 71 71 ASP CA C 71 57.165 57.371 -0.206 1
1 692 . 9 1 1 A 71 71 ASP CB C 71 40.749 40.302 0.447 1
1 693 . 9 1 1 A 71 71 ASP N N 71 120.287 119.481 0.806 1
1 694 . 9 1 1 A 72 72 GLU H H 72 7.856 8.467 -0.611 1
1 695 . 9 1 1 A 72 72 GLU HA H 72 4.120 4.004 0.116 1
1 700 . 9 1 1 A 72 72 GLU CA C 72 58.236 59.413 -1.177 1
1 701 . 9 1 1 A 72 72 GLU CB C 72 30.409 29.264 1.145 1
1 703 . 9 1 1 A 72 72 GLU N N 72 114.126 119.368 -5.242 1
1 704 . 9 1 1 A 73 73 GLY H H 73 7.732 8.104 -0.372 1
1 705 . 9 1 1 A 73 73 GLY HA2 H 73 3.565 3.582 -0.017 1
1 706 . 9 1 1 A 73 73 GLY HA3 H 73 3.565 3.596 -0.031 1
1 707 . 9 1 1 A 73 73 GLY CA C 73 47.427 47.495 -0.068 1
1 708 . 9 1 1 A 73 73 GLY N N 73 104.848 107.899 -3.051 1
1 709 . 9 1 1 A 74 74 VAL H H 74 8.138 8.607 -0.469 1
1 710 . 9 1 1 A 74 74 VAL HA H 74 3.630 3.758 -0.128 1
1 718 . 9 1 1 A 74 74 VAL CA C 74 63.679 65.763 -2.084 1
1 719 . 9 1 1 A 74 74 VAL CB C 74 31.206 31.568 -0.362 1
1 722 . 9 1 1 A 74 74 VAL N N 74 117.660 122.290 -4.630 1
1 723 . 9 1 1 A 75 75 GLN H H 75 6.431 8.101 -1.670 1
1 724 . 9 1 1 A 75 75 GLN HA H 75 3.598 4.249 -0.651 1
1 731 . 9 1 1 A 75 75 GLN CA C 75 58.343 57.050 1.293 1
1 732 . 9 1 1 A 75 75 GLN CB C 75 28.747 28.471 0.276 1
1 734 . 9 1 1 A 75 75 GLN N N 75 116.376 118.954 -2.578 1
1 736 . 9 1 1 A 76 76 GLY H H 76 8.577 7.935 0.642 1
1 737 . 9 1 1 A 76 76 GLY HA2 H 76 3.647 4.018 -0.371 1
1 738 . 9 1 1 A 76 76 GLY HA3 H 76 4.510 4.018 0.492 1
1 739 . 9 1 1 A 76 76 GLY CA C 76 45.092 45.477 -0.385 1
1 740 . 9 1 1 A 76 76 GLY N N 76 111.539 107.653 3.886 1
1 741 . 9 1 1 A 77 77 MET H H 77 7.609 7.687 -0.078 1
1 742 . 9 1 1 A 77 77 MET HA H 77 3.948 4.486 -0.538 1
1 747 . 9 1 1 A 77 77 MET CA C 77 58.260 56.357 1.903 1
1 748 . 9 1 1 A 77 77 MET CB C 77 34.641 33.183 1.458 1
1 750 . 9 1 1 A 77 77 MET N N 77 119.140 120.232 -1.092 1
1 751 . 9 1 1 A 78 78 LYS H H 78 8.348 8.748 -0.400 1
1 752 . 9 1 1 A 78 78 LYS HA H 78 5.015 5.047 -0.032 1
1 761 . 9 1 1 A 78 78 LYS CA C 78 54.136 54.431 -0.295 1
1 762 . 9 1 1 A 78 78 LYS CB C 78 34.944 35.192 -0.248 1
1 766 . 9 1 1 A 78 78 LYS N N 78 119.308 121.566 -2.258 1
1 767 . 9 1 1 A 79 79 VAL H H 79 8.622 8.970 -0.348 1
1 768 . 9 1 1 A 79 79 VAL HA H 79 3.160 3.485 -0.325 1
1 776 . 9 1 1 A 79 79 VAL CA C 79 66.585 65.481 1.104 1
1 777 . 9 1 1 A 79 79 VAL CB C 79 31.690 31.448 0.242 1
1 780 . 9 1 1 A 79 79 VAL N N 79 123.215 122.422 0.793 1
1 781 . 9 1 1 A 80 80 GLY H H 80 8.623 8.808 -0.185 1
1 782 . 9 1 1 A 80 80 GLY HA2 H 80 3.901 4.027 -0.126 1
1 783 . 9 1 1 A 80 80 GLY HA3 H 80 4.654 4.034 0.620 1
1 784 . 9 1 1 A 80 80 GLY CA C 80 44.457 45.135 -0.678 1
1 785 . 9 1 1 A 80 80 GLY N N 80 115.910 114.664 1.246 1
1 786 . 9 1 1 A 81 81 GLY H H 81 9.283 8.333 0.950 1
1 787 . 9 1 1 A 81 81 GLY HA2 H 81 3.574 4.022 -0.448 1
1 788 . 9 1 1 A 81 81 GLY HA3 H 81 3.916 4.024 -0.108 1
1 789 . 9 1 1 A 81 81 GLY CA C 81 45.310 44.603 0.707 1
1 790 . 9 1 1 A 81 81 GLY N N 81 111.030 108.312 2.718 1
1 791 . 9 1 1 A 82 82 VAL H H 82 8.403 8.710 -0.307 1
1 792 . 9 1 1 A 82 82 VAL HA H 82 5.141 5.022 0.119 1
1 800 . 9 1 1 A 82 82 VAL CA C 82 61.633 61.093 0.540 1
1 801 . 9 1 1 A 82 82 VAL CB C 82 34.572 34.385 0.187 1
1 804 . 9 1 1 A 82 82 VAL N N 82 119.626 124.201 -4.575 1
1 805 . 9 1 1 A 83 83 ARG H H 83 9.383 8.786 0.597 1
1 806 . 9 1 1 A 83 83 ARG HA H 83 5.354 4.819 0.535 1
1 813 . 9 1 1 A 83 83 ARG CA C 83 54.577 54.559 0.018 1
1 814 . 9 1 1 A 83 83 ARG CB C 83 35.933 34.416 1.517 1
1 817 . 9 1 1 A 83 83 ARG N N 83 130.545 127.566 2.979 1
1 818 . 9 1 1 A 84 84 ARG H H 84 9.618 9.044 0.574 1
1 819 . 9 1 1 A 84 84 ARG HA H 84 5.650 5.046 0.604 1
1 826 . 9 1 1 A 84 84 ARG CA C 84 54.383 55.096 -0.713 1
1 827 . 9 1 1 A 84 84 ARG CB C 84 32.969 32.513 0.456 1
1 830 . 9 1 1 A 84 84 ARG N N 84 127.552 126.955 0.597 1
1 831 . 9 1 1 A 85 85 LEU H H 85 10.121 8.959 1.162 1
1 832 . 9 1 1 A 85 85 LEU HA H 85 5.232 5.251 -0.019 1
1 842 . 9 1 1 A 85 85 LEU CA C 85 53.442 53.617 -0.175 1
1 843 . 9 1 1 A 85 85 LEU CB C 85 45.431 45.810 -0.379 1
1 847 . 9 1 1 A 85 85 LEU N N 85 128.946 126.637 2.309 1
1 848 . 9 1 1 A 86 86 THR H H 86 9.594 9.202 0.392 1
1 849 . 9 1 1 A 86 86 THR HA H 86 5.081 5.058 0.023 1
1 854 . 9 1 1 A 86 86 THR CA C 86 63.525 62.241 1.284 1
1 855 . 9 1 1 A 86 86 THR CB C 86 68.690 69.563 -0.873 1
1 857 . 9 1 1 A 86 86 THR N N 86 121.842 120.481 1.361 1
1 858 . 9 1 1 A 87 87 ILE H H 87 10.109 9.053 1.056 1
1 859 . 9 1 1 A 87 87 ILE HA H 87 4.539 4.731 -0.192 1
1 869 . 9 1 1 A 87 87 ILE CA C 87 58.954 57.839 1.115 1
1 870 . 9 1 1 A 87 87 ILE CB C 87 40.704 38.432 2.272 1
1 874 . 9 1 1 A 87 87 ILE N N 87 129.512 128.567 0.945 1
1 875 . 9 1 1 A 88 88 PRO HA H 88 4.981 4.712 0.269 1
1 882 . 9 1 1 A 88 88 PRO CA C 88 61.675 61.792 -0.117 1
1 883 . 9 1 1 A 88 88 PRO CB C 88 30.917 32.603 -1.686 1
1 886 . 9 1 1 A 89 89 PRO HA H 89 4.439 4.316 0.123 1
1 893 . 9 1 1 A 89 89 PRO CA C 89 65.384 65.326 0.058 1
1 894 . 9 1 1 A 89 89 PRO CB C 89 30.913 32.090 -1.177 1
1 897 . 9 1 1 A 90 90 GLN H H 90 9.574 8.909 0.665 1
1 898 . 9 1 1 A 90 90 GLN HA H 90 4.296 4.188 0.108 1
1 905 . 9 1 1 A 90 90 GLN CA C 90 58.441 57.494 0.947 1
1 906 . 9 1 1 A 90 90 GLN CB C 90 26.402 27.388 -0.986 1
1 908 . 9 1 1 A 90 90 GLN N N 90 118.710 115.526 3.184 1
1 910 . 9 1 1 A 91 91 LEU H H 91 7.976 7.349 0.627 1
1 911 . 9 1 1 A 91 91 LEU HA H 91 4.636 4.586 0.050 1
1 921 . 9 1 1 A 91 91 LEU CA C 91 53.625 54.348 -0.723 1
1 922 . 9 1 1 A 91 91 LEU CB C 91 42.819 43.461 -0.642 1
1 926 . 9 1 1 A 91 91 LEU N N 91 119.302 118.632 0.670 1
1 927 . 9 1 1 A 92 92 GLY H H 92 7.717 7.861 -0.144 1
1 928 . 9 1 1 A 92 92 GLY HA2 H 92 3.258 4.118 -0.860 1
1 929 . 9 1 1 A 92 92 GLY HA3 H 92 4.121 4.167 -0.046 1
1 930 . 9 1 1 A 92 92 GLY CA C 92 45.183 45.849 -0.666 1
1 931 . 9 1 1 A 92 92 GLY N N 92 110.415 107.265 3.150 1
1 932 . 9 1 1 A 93 93 TYR H H 93 9.662 8.673 0.989 1
1 933 . 9 1 1 A 93 93 TYR HA H 93 4.513 4.244 0.269 1
1 940 . 9 1 1 A 93 93 TYR CA C 93 58.603 61.020 -2.417 1
1 941 . 9 1 1 A 93 93 TYR CB C 93 37.762 38.850 -1.088 1
1 942 . 9 1 1 A 93 93 TYR N N 93 126.998 122.356 4.642 1
1 943 . 9 1 1 A 94 94 GLY H H 94 8.467 7.903 0.564 1
1 944 . 9 1 1 A 94 94 GLY HA2 H 94 3.633 4.100 -0.467 1
1 945 . 9 1 1 A 94 94 GLY HA3 H 94 3.888 4.113 -0.225 1
1 946 . 9 1 1 A 94 94 GLY CA C 94 47.023 43.797 3.226 1
1 947 . 9 1 1 A 94 94 GLY N N 94 108.486 105.479 3.007 1
1 948 . 9 1 1 A 95 95 ALA H H 95 7.636 8.615 -0.979 1
1 949 . 9 1 1 A 95 95 ALA HA H 95 4.151 4.365 -0.214 1
1 953 . 9 1 1 A 95 95 ALA CA C 95 53.326 53.942 -0.616 1
1 954 . 9 1 1 A 95 95 ALA CB C 95 18.831 18.556 0.275 1
1 955 . 9 1 1 A 96 96 ARG H H 96 7.910 7.962 -0.052 1
1 956 . 9 1 1 A 96 96 ARG HA H 96 4.227 4.020 0.207 1
1 963 . 9 1 1 A 96 96 ARG CA C 96 57.514 58.751 -1.237 1
1 964 . 9 1 1 A 96 96 ARG CB C 96 31.353 30.819 0.534 1
1 967 . 9 1 1 A 96 96 ARG N N 96 115.669 118.026 -2.357 1
1 968 . 9 1 1 A 97 97 GLY H H 97 6.917 7.483 -0.566 1
1 969 . 9 1 1 A 97 97 GLY HA2 H 97 3.272 4.021 -0.749 1
1 970 . 9 1 1 A 97 97 GLY HA3 H 97 3.908 4.056 -0.148 1
1 971 . 9 1 1 A 97 97 GLY CA C 97 44.693 44.931 -0.238 1
1 972 . 9 1 1 A 97 97 GLY N N 97 103.795 107.408 -3.613 1
1 973 . 9 1 1 A 98 98 ALA H H 98 8.187 8.586 -0.399 1
1 974 . 9 1 1 A 98 98 ALA HA H 98 4.287 4.631 -0.344 1
1 978 . 9 1 1 A 98 98 ALA CA C 98 52.717 52.358 0.359 1
1 979 . 9 1 1 A 98 98 ALA CB C 98 20.563 21.375 -0.812 1
1 980 . 9 1 1 A 98 98 ALA N N 98 118.770 121.685 -2.915 1
1 981 . 9 1 1 A 99 99 GLY H H 99 8.904 7.748 1.156 1
1 982 . 9 1 1 A 99 99 GLY HA2 H 99 3.670 4.092 -0.422 1
1 983 . 9 1 1 A 99 99 GLY HA3 H 99 3.854 4.093 -0.239 1
1 984 . 9 1 1 A 99 99 GLY CA C 99 46.848 45.929 0.919 1
1 985 . 9 1 1 A 99 99 GLY N N 99 109.717 104.163 5.554 1
1 986 . 9 1 1 A 100 100 GLY H H 100 8.759 8.950 -0.191 1
1 987 . 9 1 1 A 100 100 GLY HA2 H 100 3.719 3.812 -0.093 1
1 988 . 9 1 1 A 100 100 GLY HA3 H 100 4.041 3.815 0.226 1
1 989 . 9 1 1 A 100 100 GLY CA C 100 45.655 47.158 -1.503 1
1 990 . 9 1 1 A 100 100 GLY N N 100 110.895 109.006 1.889 1
1 991 . 9 1 1 A 101 101 VAL H H 101 7.631 7.776 -0.145 1
1 992 . 9 1 1 A 101 101 VAL HA H 101 4.226 4.025 0.201 1
1 1000 . 9 1 1 A 101 101 VAL CA C 101 62.518 64.569 -2.051 1
1 1001 . 9 1 1 A 101 101 VAL CB C 101 34.660 31.679 2.981 1
1 1004 . 9 1 1 A 101 101 VAL N N 101 115.165 119.362 -4.197 1
1 1005 . 9 1 1 A 102 102 ILE H H 102 7.686 7.672 0.014 1
1 1006 . 9 1 1 A 102 102 ILE HA H 102 4.351 4.399 -0.048 1
1 1016 . 9 1 1 A 102 102 ILE CA C 102 57.498 57.986 -0.488 1
1 1017 . 9 1 1 A 102 102 ILE CB C 102 38.189 38.531 -0.342 1
1 1021 . 9 1 1 A 102 102 ILE N N 102 120.043 125.055 -5.012 1
1 1022 . 9 1 1 A 103 103 PRO HA H 103 4.727 4.709 0.018 1
1 1029 . 9 1 1 A 103 103 PRO CA C 103 61.614 61.714 -0.100 1
1 1030 . 9 1 1 A 103 103 PRO CB C 103 31.055 32.609 -1.554 1
1 1033 . 9 1 1 A 104 104 PRO HA H 104 3.778 4.452 -0.674 1
1 1040 . 9 1 1 A 104 104 PRO CA C 104 63.599 64.751 -1.152 1
1 1041 . 9 1 1 A 104 104 PRO CB C 104 33.183 31.708 1.475 1
1 1044 . 9 1 1 A 105 105 ASN H H 105 8.581 8.228 0.353 1
1 1045 . 9 1 1 A 105 105 ASN HA H 105 3.928 5.057 -1.129 1
1 1050 . 9 1 1 A 105 105 ASN CA C 105 54.447 52.278 2.169 1
1 1051 . 9 1 1 A 105 105 ASN CB C 105 37.280 38.870 -1.590 1
1 1052 . 9 1 1 A 105 105 ASN N N 105 117.269 115.402 1.867 1
1 1054 . 9 1 1 A 106 106 ALA H H 106 7.637 7.173 0.464 1
1 1055 . 9 1 1 A 106 106 ALA HA H 106 4.456 4.364 0.092 1
1 1059 . 9 1 1 A 106 106 ALA CA C 106 52.493 52.409 0.084 1
1 1060 . 9 1 1 A 106 106 ALA CB C 106 20.938 19.613 1.325 1
1 1061 . 9 1 1 A 106 106 ALA N N 106 121.257 122.337 -1.080 1
1 1062 . 9 1 1 A 107 107 THR H H 107 8.492 8.525 -0.033 1
1 1063 . 9 1 1 A 107 107 THR HA H 107 4.781 4.914 -0.133 1
1 1068 . 9 1 1 A 107 107 THR CA C 107 63.319 62.160 1.159 1
1 1069 . 9 1 1 A 107 107 THR CB C 107 69.430 70.796 -1.366 1
1 1071 . 9 1 1 A 107 107 THR N N 107 121.742 117.529 4.213 1
1 1072 . 9 1 1 A 108 108 LEU H H 108 8.900 8.879 0.021 1
1 1073 . 9 1 1 A 108 108 LEU HA H 108 5.132 5.215 -0.083 1
1 1083 . 9 1 1 A 108 108 LEU CA C 108 52.950 53.739 -0.789 1
1 1084 . 9 1 1 A 108 108 LEU CB C 108 46.730 44.477 2.253 1
1 1088 . 9 1 1 A 108 108 LEU N N 108 125.279 125.647 -0.368 1
1 1089 . 9 1 1 A 109 109 VAL H H 109 8.933 8.903 0.030 1
1 1090 . 9 1 1 A 109 109 VAL HA H 109 5.532 4.898 0.634 1
1 1098 . 9 1 1 A 109 109 VAL CA C 109 60.793 61.494 -0.701 1
1 1099 . 9 1 1 A 109 109 VAL CB C 109 34.138 33.300 0.838 1
1 1102 . 9 1 1 A 109 109 VAL N N 109 122.496 125.162 -2.666 1
1 1103 . 9 1 1 A 110 110 PHE H H 110 9.737 9.032 0.705 1
1 1104 . 9 1 1 A 110 110 PHE HA H 110 6.457 5.089 1.368 1
1 1112 . 9 1 1 A 110 110 PHE CA C 110 55.265 56.163 -0.898 1
1 1113 . 9 1 1 A 110 110 PHE CB C 110 44.818 43.231 1.587 1
1 1114 . 9 1 1 A 110 110 PHE N N 110 121.114 124.267 -3.153 1
1 1115 . 9 1 1 A 111 111 GLU H H 111 9.223 8.666 0.557 1
1 1116 . 9 1 1 A 111 111 GLU HA H 111 5.202 4.760 0.442 1
1 1121 . 9 1 1 A 111 111 GLU CA C 111 56.709 55.000 1.709 1
1 1122 . 9 1 1 A 111 111 GLU CB C 111 32.338 31.461 0.877 1
1 1124 . 9 1 1 A 111 111 GLU N N 111 122.210 123.392 -1.182 1
1 1125 . 9 1 1 A 112 112 VAL H H 112 9.269 8.734 0.535 1
1 1126 . 9 1 1 A 112 112 VAL HA H 112 4.796 4.927 -0.131 1
1 1134 . 9 1 1 A 112 112 VAL CA C 112 61.127 61.214 -0.087 1
1 1135 . 9 1 1 A 112 112 VAL CB C 112 34.634 33.264 1.370 1
1 1136 . 9 1 1 A 112 112 VAL N N 112 126.195 126.365 -0.170 1
1 1137 . 9 1 1 A 113 113 GLU H H 113 9.545 9.106 0.439 1
1 1138 . 9 1 1 A 113 113 GLU HA H 113 5.483 5.013 0.470 1
1 1143 . 9 1 1 A 113 113 GLU CA C 113 53.159 55.046 -1.887 1
1 1144 . 9 1 1 A 113 113 GLU CB C 113 32.657 32.843 -0.186 1
1 1146 . 9 1 1 A 113 113 GLU N N 113 128.111 128.428 -0.317 1
1 1147 . 9 1 1 A 114 114 LEU H H 114 8.261 8.606 -0.345 1
1 1148 . 9 1 1 A 114 114 LEU HA H 114 4.634 4.360 0.274 1
1 1158 . 9 1 1 A 114 114 LEU CA C 114 55.217 56.182 -0.965 1
1 1159 . 9 1 1 A 114 114 LEU CB C 114 41.826 42.385 -0.559 1
1 1163 . 9 1 1 A 114 114 LEU N N 114 126.273 128.590 -2.317 1
1 1164 . 9 1 1 A 115 115 LEU H H 115 9.258 8.861 0.397 1
1 1165 . 9 1 1 A 115 115 LEU HA H 115 4.453 4.455 -0.002 1
1 1175 . 9 1 1 A 115 115 LEU CA C 115 55.791 56.023 -0.232 1
1 1176 . 9 1 1 A 115 115 LEU CB C 115 42.897 42.926 -0.029 1
1 1180 . 9 1 1 A 115 115 LEU N N 115 130.031 127.598 2.433 1
1 1181 . 9 1 1 A 116 116 ASP H H 116 7.748 7.153 0.595 1
1 1182 . 9 1 1 A 116 116 ASP HA H 116 4.672 4.903 -0.231 1
1 1185 . 9 1 1 A 116 116 ASP CA C 116 54.385 53.687 0.698 1
1 1186 . 9 1 1 A 116 116 ASP CB C 116 43.828 43.877 -0.049 1
1 1187 . 9 1 1 A 116 116 ASP N N 116 115.338 113.473 1.865 1
1 1 . 10 1 1 A 3 3 GLY H H 3 8.684 8.652 0.032 1
1 2 . 10 1 1 A 3 3 GLY HA2 H 3 3.959 4.223 -0.264 1
1 3 . 10 1 1 A 3 3 GLY HA3 H 3 3.959 4.223 -0.264 1
1 4 . 10 1 1 A 3 3 GLY N N 3 110.167 108.695 1.472 1
1 5 . 10 1 1 A 4 4 SER H H 4 8.315 8.946 -0.631 1
1 6 . 10 1 1 A 4 4 SER HA H 4 4.468 4.317 0.151 1
1 9 . 10 1 1 A 4 4 SER CA C 4 58.355 60.968 -2.613 1
1 10 . 10 1 1 A 4 4 SER N N 4 115.851 114.953 0.898 1
1 11 . 10 1 1 A 5 5 MET H H 5 8.640 7.845 0.795 1
1 12 . 10 1 1 A 5 5 MET HA H 5 4.554 4.596 -0.042 1
1 17 . 10 1 1 A 5 5 MET CA C 5 55.754 54.686 1.068 1
1 18 . 10 1 1 A 5 5 MET CB C 5 32.870 32.705 0.165 1
1 20 . 10 1 1 A 5 5 MET N N 5 122.413 120.597 1.816 1
1 21 . 10 1 1 A 6 6 THR H H 6 8.265 8.637 -0.372 1
1 22 . 10 1 1 A 6 6 THR HA H 6 4.296 4.758 -0.462 1
1 27 . 10 1 1 A 6 6 THR CA C 6 62.224 61.725 0.499 1
1 28 . 10 1 1 A 6 6 THR CB C 6 69.806 68.308 1.498 1
1 30 . 10 1 1 A 6 6 THR N N 6 116.270 118.947 -2.677 1
1 31 . 10 1 1 A 7 7 VAL H H 7 8.068 8.510 -0.442 1
1 32 . 10 1 1 A 7 7 VAL HA H 7 4.200 4.614 -0.414 1
1 40 . 10 1 1 A 7 7 VAL CA C 7 62.021 60.776 1.245 1
1 41 . 10 1 1 A 7 7 VAL CB C 7 32.773 35.757 -2.984 1
1 44 . 10 1 1 A 7 7 VAL N N 7 124.632 126.072 -1.440 1
1 45 . 10 1 1 A 8 8 VAL H H 8 8.985 8.459 0.526 1
1 46 . 10 1 1 A 8 8 VAL HA H 8 3.872 4.003 -0.131 1
1 54 . 10 1 1 A 8 8 VAL CA C 8 61.848 63.319 -1.471 1
1 55 . 10 1 1 A 8 8 VAL CB C 8 33.157 30.949 2.208 1
1 58 . 10 1 1 A 8 8 VAL N N 8 132.503 127.949 4.554 1
1 59 . 10 1 1 A 9 9 THR H H 9 8.213 8.777 -0.564 1
1 60 . 10 1 1 A 9 9 THR HA H 9 5.250 4.975 0.275 1
1 65 . 10 1 1 A 9 9 THR CA C 9 61.040 61.544 -0.504 1
1 66 . 10 1 1 A 9 9 THR CB C 9 69.773 71.169 -1.396 1
1 68 . 10 1 1 A 9 9 THR N N 9 121.386 122.696 -1.310 1
1 69 . 10 1 1 A 10 10 THR H H 10 9.318 8.510 0.808 1
1 70 . 10 1 1 A 10 10 THR HA H 10 4.693 4.941 -0.248 1
1 75 . 10 1 1 A 10 10 THR CA C 10 60.077 59.851 0.226 1
1 76 . 10 1 1 A 10 10 THR CB C 10 70.131 71.162 -1.031 1
1 78 . 10 1 1 A 10 10 THR N N 10 119.882 114.766 5.116 1
1 79 . 10 1 1 A 11 11 GLU H H 11 9.051 8.856 0.195 1
1 80 . 10 1 1 A 11 11 GLU HA H 11 4.028 4.102 -0.074 1
1 85 . 10 1 1 A 11 11 GLU CA C 11 59.072 59.373 -0.301 1
1 86 . 10 1 1 A 11 11 GLU CB C 11 29.516 29.464 0.052 1
1 88 . 10 1 1 A 11 11 GLU N N 11 120.586 120.646 -0.060 1
1 89 . 10 1 1 A 12 12 SER H H 12 8.445 7.945 0.500 1
1 90 . 10 1 1 A 12 12 SER HA H 12 4.302 4.437 -0.135 1
1 93 . 10 1 1 A 12 12 SER CA C 12 58.483 59.539 -1.056 1
1 94 . 10 1 1 A 12 12 SER CB C 12 63.034 64.522 -1.488 1
1 95 . 10 1 1 A 12 12 SER N N 12 114.574 112.843 1.731 1
1 96 . 10 1 1 A 13 13 GLY H H 13 7.798 7.461 0.337 1
1 97 . 10 1 1 A 13 13 GLY HA2 H 13 3.425 4.086 -0.661 1
1 98 . 10 1 1 A 13 13 GLY HA3 H 13 4.401 4.087 0.314 1
1 99 . 10 1 1 A 13 13 GLY CA C 13 44.276 45.333 -1.057 1
1 100 . 10 1 1 A 13 13 GLY N N 13 109.024 110.017 -0.993 1
1 101 . 10 1 1 A 14 14 LEU H H 14 7.501 7.483 0.018 1
1 102 . 10 1 1 A 14 14 LEU HA H 14 3.967 4.553 -0.586 1
1 112 . 10 1 1 A 14 14 LEU CA C 14 56.343 55.824 0.519 1
1 113 . 10 1 1 A 14 14 LEU CB C 14 41.856 42.909 -1.053 1
1 117 . 10 1 1 A 14 14 LEU N N 14 123.870 123.428 0.442 1
1 118 . 10 1 1 A 15 15 LYS H H 15 7.812 8.430 -0.618 1
1 119 . 10 1 1 A 15 15 LYS HA H 15 5.942 5.252 0.690 1
1 127 . 10 1 1 A 15 15 LYS CA C 15 54.052 54.284 -0.232 1
1 128 . 10 1 1 A 15 15 LYS CB C 15 36.289 35.964 0.325 1
1 132 . 10 1 1 A 15 15 LYS N N 15 123.667 124.666 -0.999 1
1 133 . 10 1 1 A 16 16 TYR H H 16 9.289 9.164 0.125 1
1 134 . 10 1 1 A 16 16 TYR HA H 16 5.996 5.489 0.507 1
1 141 . 10 1 1 A 16 16 TYR CA C 16 55.784 56.245 -0.461 1
1 142 . 10 1 1 A 16 16 TYR CB C 16 43.297 42.175 1.122 1
1 143 . 10 1 1 A 16 16 TYR N N 16 117.890 117.722 0.168 1
1 144 . 10 1 1 A 17 17 GLU H H 17 8.728 8.939 -0.211 1
1 145 . 10 1 1 A 17 17 GLU HA H 17 4.860 4.766 0.094 1
1 150 . 10 1 1 A 17 17 GLU CA C 17 54.072 54.906 -0.834 1
1 151 . 10 1 1 A 17 17 GLU CB C 17 35.222 33.580 1.642 1
1 152 . 10 1 1 A 17 17 GLU N N 17 118.386 121.227 -2.841 1
1 153 . 10 1 1 A 18 18 ASP H H 18 9.596 9.015 0.581 1
1 154 . 10 1 1 A 18 18 ASP HA H 18 5.296 4.695 0.601 1
1 157 . 10 1 1 A 18 18 ASP CA C 18 55.695 55.002 0.693 1
1 158 . 10 1 1 A 18 18 ASP CB C 18 40.940 41.084 -0.144 1
1 159 . 10 1 1 A 18 18 ASP N N 18 127.059 127.824 -0.765 1
1 160 . 10 1 1 A 19 19 LEU H H 19 8.609 9.009 -0.400 1
1 161 . 10 1 1 A 19 19 LEU HA H 19 4.275 4.596 -0.321 1
1 171 . 10 1 1 A 19 19 LEU CA C 19 56.923 55.897 1.026 1
1 172 . 10 1 1 A 19 19 LEU CB C 19 41.074 43.922 -2.848 1
1 176 . 10 1 1 A 19 19 LEU N N 19 128.620 124.799 3.821 1
1 177 . 10 1 1 A 20 20 THR H H 20 8.136 7.976 0.160 1
1 178 . 10 1 1 A 20 20 THR HA H 20 4.400 4.806 -0.406 1
1 183 . 10 1 1 A 20 20 THR CA C 20 61.835 61.490 0.345 1
1 184 . 10 1 1 A 20 20 THR CB C 20 72.411 71.430 0.981 1
1 186 . 10 1 1 A 20 20 THR N N 20 112.473 112.011 0.462 1
1 187 . 10 1 1 A 21 21 GLU H H 21 9.354 8.640 0.714 1
1 188 . 10 1 1 A 21 21 GLU HA H 21 4.370 4.270 0.100 1
1 193 . 10 1 1 A 21 21 GLU CA C 21 56.277 56.275 0.002 1
1 194 . 10 1 1 A 21 21 GLU CB C 21 30.368 30.171 0.197 1
1 196 . 10 1 1 A 21 21 GLU N N 21 130.043 127.007 3.036 1
1 197 . 10 1 1 A 22 22 GLY H H 22 9.071 8.435 0.636 1
1 198 . 10 1 1 A 22 22 GLY HA2 H 22 3.446 4.198 -0.752 1
1 199 . 10 1 1 A 22 22 GLY HA3 H 22 3.742 4.198 -0.456 1
1 200 . 10 1 1 A 22 22 GLY CA C 22 45.343 45.783 -0.440 1
1 201 . 10 1 1 A 22 22 GLY N N 22 113.930 108.546 5.384 1
1 202 . 10 1 1 A 23 23 SER H H 23 8.040 8.422 -0.382 1
1 203 . 10 1 1 A 23 23 SER HA H 23 4.671 4.481 0.190 1
1 206 . 10 1 1 A 23 23 SER CA C 23 57.488 57.637 -0.149 1
1 207 . 10 1 1 A 23 23 SER CB C 23 65.069 62.082 2.987 1
1 208 . 10 1 1 A 23 23 SER N N 23 111.747 118.000 -6.253 1
1 209 . 10 1 1 A 24 24 GLY H H 24 8.418 8.357 0.061 1
1 210 . 10 1 1 A 24 24 GLY HA2 H 24 3.693 4.029 -0.336 1
1 211 . 10 1 1 A 24 24 GLY HA3 H 24 4.328 4.030 0.298 1
1 212 . 10 1 1 A 24 24 GLY CA C 24 44.138 45.426 -1.288 1
1 213 . 10 1 1 A 24 24 GLY N N 24 111.391 113.725 -2.334 1
1 214 . 10 1 1 A 25 25 ALA H H 25 8.342 8.375 -0.033 1
1 215 . 10 1 1 A 25 25 ALA HA H 25 4.061 5.058 -0.997 1
1 219 . 10 1 1 A 25 25 ALA CA C 25 52.551 50.764 1.787 1
1 220 . 10 1 1 A 25 25 ALA CB C 25 19.752 22.505 -2.753 1
1 221 . 10 1 1 A 25 25 ALA N N 25 123.675 123.954 -0.279 1
1 222 . 10 1 1 A 26 26 GLU H H 26 8.194 8.546 -0.352 1
1 223 . 10 1 1 A 26 26 GLU HA H 26 4.498 4.664 -0.166 1
1 228 . 10 1 1 A 26 26 GLU CA C 26 55.174 56.288 -1.114 1
1 229 . 10 1 1 A 26 26 GLU CB C 26 31.906 30.542 1.364 1
1 231 . 10 1 1 A 26 26 GLU N N 26 119.186 122.816 -3.630 1
1 232 . 10 1 1 A 27 27 ALA H H 27 8.930 8.199 0.731 1
1 233 . 10 1 1 A 27 27 ALA HA H 27 4.527 4.325 0.202 1
1 237 . 10 1 1 A 27 27 ALA CA C 27 51.815 52.943 -1.128 1
1 238 . 10 1 1 A 27 27 ALA CB C 27 19.057 19.458 -0.401 1
1 239 . 10 1 1 A 27 27 ALA N N 27 127.513 127.538 -0.025 1
1 240 . 10 1 1 A 28 28 ARG H H 28 8.348 8.798 -0.450 1
1 241 . 10 1 1 A 28 28 ARG HA H 28 4.563 4.882 -0.319 1
1 246 . 10 1 1 A 28 28 ARG CA C 28 53.584 54.156 -0.572 1
1 247 . 10 1 1 A 28 28 ARG CB C 28 33.571 33.670 -0.099 1
1 250 . 10 1 1 A 28 28 ARG N N 28 124.054 120.165 3.889 1
1 251 . 10 1 1 A 29 29 ALA H H 29 8.387 8.585 -0.198 1
1 252 . 10 1 1 A 29 29 ALA HA H 29 3.594 3.920 -0.326 1
1 256 . 10 1 1 A 29 29 ALA CA C 29 53.535 53.920 -0.385 1
1 257 . 10 1 1 A 29 29 ALA CB C 29 17.781 18.523 -0.742 1
1 258 . 10 1 1 A 29 29 ALA N N 29 122.289 126.286 -3.997 1
1 259 . 10 1 1 A 30 30 GLY H H 30 9.043 9.064 -0.021 1
1 260 . 10 1 1 A 30 30 GLY HA2 H 30 3.451 3.993 -0.542 1
1 261 . 10 1 1 A 30 30 GLY HA3 H 30 4.378 3.995 0.383 1
1 262 . 10 1 1 A 30 30 GLY CA C 30 44.562 45.048 -0.486 1
1 263 . 10 1 1 A 30 30 GLY N N 30 110.956 111.033 -0.077 1
1 264 . 10 1 1 A 31 31 GLN H H 31 7.620 7.608 0.012 1
1 265 . 10 1 1 A 31 31 GLN HA H 31 4.343 4.457 -0.114 1
1 272 . 10 1 1 A 31 31 GLN CA C 31 55.410 55.122 0.288 1
1 273 . 10 1 1 A 31 31 GLN CB C 31 30.151 30.090 0.061 1
1 275 . 10 1 1 A 31 31 GLN N N 31 119.756 119.035 0.721 1
1 277 . 10 1 1 A 32 32 THR H H 32 8.793 8.504 0.289 1
1 278 . 10 1 1 A 32 32 THR HA H 32 4.463 4.739 -0.276 1
1 283 . 10 1 1 A 32 32 THR CA C 32 63.072 61.803 1.269 1
1 284 . 10 1 1 A 32 32 THR CB C 32 68.380 70.556 -2.176 1
1 286 . 10 1 1 A 32 32 THR N N 32 119.718 118.904 0.814 1
1 287 . 10 1 1 A 33 33 VAL H H 33 8.393 8.616 -0.223 1
1 288 . 10 1 1 A 33 33 VAL HA H 33 4.712 4.857 -0.145 1
1 296 . 10 1 1 A 33 33 VAL CA C 33 58.274 59.148 -0.874 1
1 297 . 10 1 1 A 33 33 VAL CB C 33 33.309 36.189 -2.880 1
1 300 . 10 1 1 A 33 33 VAL N N 33 120.513 118.305 2.208 1
1 301 . 10 1 1 A 34 34 SER H H 34 7.865 8.514 -0.649 1
1 302 . 10 1 1 A 34 34 SER HA H 34 5.262 5.395 -0.133 1
1 305 . 10 1 1 A 34 34 SER CA C 34 56.443 57.804 -1.361 1
1 306 . 10 1 1 A 34 34 SER CB C 34 64.882 63.903 0.979 1
1 307 . 10 1 1 A 34 34 SER N N 34 113.652 119.140 -5.488 1
1 308 . 10 1 1 A 35 35 VAL H H 35 9.531 9.539 -0.008 1
1 309 . 10 1 1 A 35 35 VAL HA H 35 5.715 5.410 0.305 1
1 317 . 10 1 1 A 35 35 VAL CA C 35 58.226 58.884 -0.658 1
1 318 . 10 1 1 A 35 35 VAL CB C 35 35.412 36.325 -0.913 1
1 321 . 10 1 1 A 35 35 VAL N N 35 117.985 119.078 -1.093 1
1 322 . 10 1 1 A 36 36 HIS H H 36 8.812 8.805 0.007 1
1 323 . 10 1 1 A 36 36 HIS HA H 36 5.784 5.491 0.293 1
1 328 . 10 1 1 A 36 36 HIS CA C 36 54.671 53.503 1.168 1
1 329 . 10 1 1 A 36 36 HIS CB C 36 35.786 33.447 2.339 1
1 330 . 10 1 1 A 36 36 HIS N N 36 118.227 118.013 0.214 1
1 331 . 10 1 1 A 37 37 TYR H H 37 9.680 8.620 1.060 1
1 332 . 10 1 1 A 37 37 TYR HA H 37 6.201 5.738 0.463 1
1 339 . 10 1 1 A 37 37 TYR CA C 37 56.280 55.359 0.921 1
1 340 . 10 1 1 A 37 37 TYR CB C 37 43.791 41.078 2.713 1
1 341 . 10 1 1 A 37 37 TYR N N 37 116.878 119.937 -3.059 1
1 342 . 10 1 1 A 38 38 THR H H 38 8.478 8.771 -0.293 1
1 343 . 10 1 1 A 38 38 THR HA H 38 4.374 4.637 -0.263 1
1 348 . 10 1 1 A 38 38 THR CA C 38 62.692 60.033 2.659 1
1 349 . 10 1 1 A 38 38 THR CB C 38 71.675 70.664 1.011 1
1 351 . 10 1 1 A 38 38 THR N N 38 117.172 117.865 -0.693 1
1 352 . 10 1 1 A 39 39 GLY H H 39 8.332 8.656 -0.324 1
1 353 . 10 1 1 A 39 39 GLY HA2 H 39 1.943 3.311 -1.368 1
1 354 . 10 1 1 A 39 39 GLY HA3 H 39 4.624 3.504 1.120 1
1 355 . 10 1 1 A 39 39 GLY CA C 39 44.767 45.243 -0.476 1
1 356 . 10 1 1 A 39 39 GLY N N 39 113.042 112.654 0.388 1
1 357 . 10 1 1 A 40 40 TRP H H 40 9.669 8.571 1.098 1
1 358 . 10 1 1 A 40 40 TRP HA H 40 5.499 4.982 0.517 1
1 366 . 10 1 1 A 40 40 TRP CA C 40 57.026 55.462 1.564 1
1 367 . 10 1 1 A 40 40 TRP CB C 40 34.177 31.960 2.217 1
1 368 . 10 1 1 A 40 40 TRP N N 40 123.550 125.494 -1.944 1
1 370 . 10 1 1 A 41 41 LEU H H 41 8.699 9.160 -0.461 1
1 371 . 10 1 1 A 41 41 LEU HA H 41 5.056 4.880 0.176 1
1 381 . 10 1 1 A 41 41 LEU CA C 41 54.040 54.524 -0.484 1
1 382 . 10 1 1 A 41 41 LEU CB C 41 41.981 44.024 -2.043 1
1 386 . 10 1 1 A 41 41 LEU N N 41 119.318 125.242 -5.924 1
1 387 . 10 1 1 A 42 42 THR H H 42 9.418 8.879 0.539 1
1 388 . 10 1 1 A 42 42 THR HA H 42 3.962 4.091 -0.129 1
1 393 . 10 1 1 A 42 42 THR CA C 42 65.117 64.808 0.309 1
1 394 . 10 1 1 A 42 42 THR CB C 42 68.693 68.519 0.174 1
1 396 . 10 1 1 A 42 42 THR N N 42 112.465 118.202 -5.737 1
1 397 . 10 1 1 A 43 43 ASP H H 43 7.690 7.896 -0.206 1
1 398 . 10 1 1 A 43 43 ASP HA H 43 4.538 4.643 -0.105 1
1 401 . 10 1 1 A 43 43 ASP CA C 43 53.655 54.074 -0.419 1
1 402 . 10 1 1 A 43 43 ASP CB C 43 40.109 41.558 -1.449 1
1 403 . 10 1 1 A 43 43 ASP N N 43 118.952 120.184 -1.232 1
1 404 . 10 1 1 A 44 44 GLY H H 44 8.043 8.013 0.030 1
1 405 . 10 1 1 A 44 44 GLY HA2 H 44 3.521 3.931 -0.410 1
1 406 . 10 1 1 A 44 44 GLY HA3 H 44 4.318 3.935 0.383 1
1 407 . 10 1 1 A 44 44 GLY CA C 44 44.869 44.913 -0.044 1
1 408 . 10 1 1 A 44 44 GLY N N 44 107.790 105.997 1.793 1
1 409 . 10 1 1 A 45 45 GLN H H 45 8.355 7.874 0.481 1
1 410 . 10 1 1 A 45 45 GLN HA H 45 4.319 4.543 -0.224 1
1 417 . 10 1 1 A 45 45 GLN CA C 45 56.909 54.709 2.200 1
1 418 . 10 1 1 A 45 45 GLN CB C 45 29.837 30.027 -0.190 1
1 420 . 10 1 1 A 45 45 GLN N N 45 121.541 121.489 0.052 1
1 422 . 10 1 1 A 46 46 LYS H H 46 8.915 8.563 0.352 1
1 423 . 10 1 1 A 46 46 LYS HA H 46 4.454 4.424 0.030 1
1 432 . 10 1 1 A 46 46 LYS CA C 46 55.782 56.848 -1.066 1
1 433 . 10 1 1 A 46 46 LYS CB C 46 33.097 33.198 -0.101 1
1 437 . 10 1 1 A 46 46 LYS N N 46 129.310 127.552 1.758 1
1 438 . 10 1 1 A 47 47 PHE H H 47 8.440 8.379 0.061 1
1 439 . 10 1 1 A 47 47 PHE HA H 47 5.103 5.019 0.084 1
1 447 . 10 1 1 A 47 47 PHE CA C 47 56.272 56.643 -0.371 1
1 448 . 10 1 1 A 47 47 PHE CB C 47 41.094 40.843 0.251 1
1 449 . 10 1 1 A 47 47 PHE N N 47 122.874 122.199 0.675 1
1 450 . 10 1 1 A 48 48 ASP H H 48 6.744 7.092 -0.348 1
1 451 . 10 1 1 A 48 48 ASP HA H 48 4.790 4.986 -0.196 1
1 454 . 10 1 1 A 48 48 ASP CA C 48 54.518 54.552 -0.034 1
1 455 . 10 1 1 A 48 48 ASP CB C 48 43.929 44.179 -0.250 1
1 456 . 10 1 1 A 48 48 ASP N N 48 118.152 120.412 -2.260 1
1 457 . 10 1 1 A 49 49 SER H H 49 8.122 8.656 -0.534 1
1 458 . 10 1 1 A 49 49 SER HA H 49 4.608 4.864 -0.256 1
1 461 . 10 1 1 A 49 49 SER CA C 49 56.963 56.804 0.159 1
1 462 . 10 1 1 A 49 49 SER CB C 49 64.699 66.523 -1.824 1
1 463 . 10 1 1 A 49 49 SER N N 49 117.585 119.350 -1.765 1
1 464 . 10 1 1 A 50 50 SER H H 50 8.020 8.720 -0.700 1
1 465 . 10 1 1 A 50 50 SER HA H 50 4.045 4.250 -0.205 1
1 468 . 10 1 1 A 50 50 SER CA C 50 61.482 60.885 0.597 1
1 469 . 10 1 1 A 50 50 SER CB C 50 61.488 62.897 -1.409 1
1 470 . 10 1 1 A 50 50 SER N N 50 124.801 118.902 5.899 1
1 471 . 10 1 1 A 51 51 LYS H H 51 7.730 7.901 -0.171 1
1 472 . 10 1 1 A 51 51 LYS HA H 51 3.505 4.021 -0.516 1
1 481 . 10 1 1 A 51 51 LYS CA C 51 58.921 59.011 -0.090 1
1 482 . 10 1 1 A 51 51 LYS CB C 51 31.346 32.003 -0.657 1
1 486 . 10 1 1 A 51 51 LYS N N 51 124.103 122.311 1.792 1
1 487 . 10 1 1 A 52 52 ASP H H 52 7.324 7.948 -0.624 1
1 488 . 10 1 1 A 52 52 ASP HA H 52 4.284 4.370 -0.086 1
1 491 . 10 1 1 A 52 52 ASP CA C 52 56.524 56.925 -0.401 1
1 492 . 10 1 1 A 52 52 ASP CB C 52 40.201 40.690 -0.489 1
1 493 . 10 1 1 A 52 52 ASP N N 52 118.971 119.391 -0.420 1
1 494 . 10 1 1 A 53 53 ARG H H 53 6.923 7.818 -0.895 1
1 495 . 10 1 1 A 53 53 ARG HA H 53 4.461 4.398 0.063 1
1 502 . 10 1 1 A 53 53 ARG CA C 53 55.597 57.062 -1.465 1
1 503 . 10 1 1 A 53 53 ARG CB C 53 31.289 31.464 -0.175 1
1 506 . 10 1 1 A 53 53 ARG N N 53 114.803 118.678 -3.875 1
1 507 . 10 1 1 A 54 54 ASN H H 54 7.827 7.900 -0.073 1
1 508 . 10 1 1 A 54 54 ASN HA H 54 4.352 4.402 -0.050 1
1 513 . 10 1 1 A 54 54 ASN CA C 54 54.339 54.011 0.328 1
1 514 . 10 1 1 A 54 54 ASN CB C 54 37.849 37.089 0.760 1
1 515 . 10 1 1 A 54 54 ASN N N 54 117.421 117.928 -0.507 1
1 517 . 10 1 1 A 55 55 ASP H H 55 7.580 7.913 -0.333 1
1 518 . 10 1 1 A 55 55 ASP HA H 55 5.360 5.057 0.303 1
1 521 . 10 1 1 A 55 55 ASP CA C 55 51.697 51.270 0.427 1
1 522 . 10 1 1 A 55 55 ASP CB C 55 43.377 44.610 -1.233 1
1 523 . 10 1 1 A 55 55 ASP N N 55 115.802 120.617 -4.815 1
1 524 . 10 1 1 A 56 56 PRO HA H 56 4.022 4.060 -0.038 1
1 531 . 10 1 1 A 56 56 PRO CA C 56 63.115 62.621 0.494 1
1 532 . 10 1 1 A 56 56 PRO CB C 56 32.348 32.569 -0.221 1
1 535 . 10 1 1 A 57 57 PHE H H 57 9.207 8.419 0.788 1
1 536 . 10 1 1 A 57 57 PHE HA H 57 4.874 4.716 0.158 1
1 544 . 10 1 1 A 57 57 PHE CA C 57 57.290 57.423 -0.133 1
1 545 . 10 1 1 A 57 57 PHE CB C 57 42.517 39.470 3.047 1
1 546 . 10 1 1 A 57 57 PHE N N 57 124.509 123.169 1.340 1
1 547 . 10 1 1 A 58 58 ALA H H 58 7.942 8.996 -1.054 1
1 548 . 10 1 1 A 58 58 ALA HA H 58 5.928 5.500 0.428 1
1 552 . 10 1 1 A 58 58 ALA CA C 58 49.705 50.148 -0.443 1
1 553 . 10 1 1 A 58 58 ALA CB C 58 21.621 21.510 0.111 1
1 554 . 10 1 1 A 58 58 ALA N N 58 130.661 130.164 0.497 1
1 555 . 10 1 1 A 59 59 PHE H H 59 8.455 8.578 -0.123 1
1 556 . 10 1 1 A 59 59 PHE HA H 59 4.660 5.019 -0.359 1
1 564 . 10 1 1 A 59 59 PHE CA C 59 55.610 55.877 -0.267 1
1 565 . 10 1 1 A 59 59 PHE CB C 59 40.857 40.613 0.244 1
1 566 . 10 1 1 A 59 59 PHE N N 59 114.967 117.364 -2.397 1
1 567 . 10 1 1 A 60 60 VAL H H 60 8.168 8.817 -0.649 1
1 568 . 10 1 1 A 60 60 VAL HA H 60 4.084 4.018 0.066 1
1 576 . 10 1 1 A 60 60 VAL CA C 60 61.907 62.202 -0.295 1
1 577 . 10 1 1 A 60 60 VAL CB C 60 31.564 32.181 -0.617 1
1 580 . 10 1 1 A 60 60 VAL N N 60 120.308 120.302 0.006 1
1 581 . 10 1 1 A 61 61 LEU H H 61 8.900 8.449 0.451 1
1 582 . 10 1 1 A 61 61 LEU HA H 61 4.248 4.022 0.226 1
1 592 . 10 1 1 A 61 61 LEU CA C 61 56.558 55.868 0.690 1
1 593 . 10 1 1 A 61 61 LEU CB C 61 41.736 42.037 -0.301 1
1 597 . 10 1 1 A 61 61 LEU N N 61 134.513 128.372 6.141 1
1 598 . 10 1 1 A 62 62 GLY H H 62 9.652 9.285 0.367 1
1 599 . 10 1 1 A 62 62 GLY HA2 H 62 3.558 3.871 -0.313 1
1 600 . 10 1 1 A 62 62 GLY HA3 H 62 4.154 3.903 0.251 1
1 601 . 10 1 1 A 62 62 GLY CA C 62 45.721 46.765 -1.044 1
1 602 . 10 1 1 A 62 62 GLY N N 62 119.352 114.338 5.014 1
1 603 . 10 1 1 A 63 63 GLY H H 63 8.338 8.038 0.300 1
1 604 . 10 1 1 A 63 63 GLY HA2 H 63 3.557 4.169 -0.612 1
1 605 . 10 1 1 A 63 63 GLY HA3 H 63 4.298 4.173 0.125 1
1 606 . 10 1 1 A 63 63 GLY CA C 63 45.442 45.717 -0.275 1
1 607 . 10 1 1 A 63 63 GLY N N 63 107.002 106.866 0.136 1
1 608 . 10 1 1 A 64 64 GLY H H 64 9.301 8.412 0.889 1
1 609 . 10 1 1 A 64 64 GLY HA2 H 64 4.057 4.159 -0.102 1
1 610 . 10 1 1 A 64 64 GLY HA3 H 64 4.057 4.209 -0.152 1
1 611 . 10 1 1 A 64 64 GLY CA C 64 46.425 45.734 0.691 1
1 612 . 10 1 1 A 64 64 GLY N N 64 112.092 108.246 3.846 1
1 613 . 10 1 1 A 65 65 MET H H 65 9.574 8.506 1.068 1
1 614 . 10 1 1 A 65 65 MET HA H 65 4.546 4.823 -0.277 1
1 619 . 10 1 1 A 65 65 MET CA C 65 55.641 54.204 1.437 1
1 620 . 10 1 1 A 65 65 MET CB C 65 33.268 33.412 -0.144 1
1 622 . 10 1 1 A 65 65 MET N N 65 118.659 121.350 -2.691 1
1 623 . 10 1 1 A 66 66 VAL H H 66 6.867 8.256 -1.389 1
1 624 . 10 1 1 A 66 66 VAL HA H 66 4.454 4.649 -0.195 1
1 632 . 10 1 1 A 66 66 VAL CA C 66 57.545 58.641 -1.096 1
1 633 . 10 1 1 A 66 66 VAL CB C 66 35.736 35.411 0.325 1
1 636 . 10 1 1 A 66 66 VAL N N 66 108.649 115.982 -7.333 1
1 637 . 10 1 1 A 67 67 ILE H H 67 7.158 7.684 -0.526 1
1 638 . 10 1 1 A 67 67 ILE HA H 67 3.894 4.166 -0.272 1
1 648 . 10 1 1 A 67 67 ILE CA C 67 62.065 61.133 0.932 1
1 649 . 10 1 1 A 67 67 ILE CB C 67 37.130 39.110 -1.980 1
1 653 . 10 1 1 A 67 67 ILE N N 67 111.614 115.680 -4.066 1
1 654 . 10 1 1 A 68 68 LYS H H 68 9.182 8.944 0.238 1
1 655 . 10 1 1 A 68 68 LYS HA H 68 4.241 3.954 0.287 1
1 664 . 10 1 1 A 68 68 LYS CA C 68 60.042 59.601 0.441 1
1 665 . 10 1 1 A 68 68 LYS CB C 68 33.366 32.238 1.128 1
1 669 . 10 1 1 A 68 68 LYS N N 68 125.685 123.524 2.161 1
1 670 . 10 1 1 A 69 69 GLY H H 69 9.653 8.320 1.333 1
1 671 . 10 1 1 A 69 69 GLY HA2 H 69 3.595 3.807 -0.212 1
1 672 . 10 1 1 A 69 69 GLY HA3 H 69 3.971 3.845 0.126 1
1 673 . 10 1 1 A 69 69 GLY CA C 69 47.597 47.377 0.220 1
1 674 . 10 1 1 A 69 69 GLY N N 69 102.438 107.284 -4.846 1
1 675 . 10 1 1 A 70 70 TRP H H 70 7.745 7.920 -0.175 1
1 676 . 10 1 1 A 70 70 TRP HA H 70 4.152 4.610 -0.458 1
1 684 . 10 1 1 A 70 70 TRP CA C 70 60.737 60.478 0.259 1
1 685 . 10 1 1 A 70 70 TRP CB C 70 29.185 28.219 0.966 1
1 686 . 10 1 1 A 70 70 TRP N N 70 120.118 121.474 -1.356 1
1 687 . 10 1 1 A 71 71 ASP H H 71 7.058 8.451 -1.393 1
1 688 . 10 1 1 A 71 71 ASP HA H 71 4.878 4.381 0.497 1
1 691 . 10 1 1 A 71 71 ASP CA C 71 57.165 57.932 -0.767 1
1 692 . 10 1 1 A 71 71 ASP CB C 71 40.749 42.076 -1.327 1
1 693 . 10 1 1 A 71 71 ASP N N 71 120.287 119.780 0.507 1
1 694 . 10 1 1 A 72 72 GLU H H 72 7.856 8.437 -0.581 1
1 695 . 10 1 1 A 72 72 GLU HA H 72 4.120 4.014 0.106 1
1 700 . 10 1 1 A 72 72 GLU CA C 72 58.236 59.255 -1.019 1
1 701 . 10 1 1 A 72 72 GLU CB C 72 30.409 29.252 1.157 1
1 703 . 10 1 1 A 72 72 GLU N N 72 114.126 119.285 -5.159 1
1 704 . 10 1 1 A 73 73 GLY H H 73 7.732 8.018 -0.286 1
1 705 . 10 1 1 A 73 73 GLY HA2 H 73 3.565 3.558 0.007 1
1 706 . 10 1 1 A 73 73 GLY HA3 H 73 3.565 3.568 -0.003 1
1 707 . 10 1 1 A 73 73 GLY CA C 73 47.427 47.199 0.228 1
1 708 . 10 1 1 A 73 73 GLY N N 73 104.848 107.813 -2.965 1
1 709 . 10 1 1 A 74 74 VAL H H 74 8.138 8.516 -0.378 1
1 710 . 10 1 1 A 74 74 VAL HA H 74 3.630 3.765 -0.135 1
1 718 . 10 1 1 A 74 74 VAL CA C 74 63.679 65.793 -2.114 1
1 719 . 10 1 1 A 74 74 VAL CB C 74 31.206 31.428 -0.222 1
1 722 . 10 1 1 A 74 74 VAL N N 74 117.660 121.962 -4.302 1
1 723 . 10 1 1 A 75 75 GLN H H 75 6.431 8.204 -1.773 1
1 724 . 10 1 1 A 75 75 GLN HA H 75 3.598 4.184 -0.586 1
1 731 . 10 1 1 A 75 75 GLN CA C 75 58.343 55.441 2.902 1
1 732 . 10 1 1 A 75 75 GLN CB C 75 28.747 27.797 0.950 1
1 734 . 10 1 1 A 75 75 GLN N N 75 116.376 118.483 -2.107 1
1 736 . 10 1 1 A 76 76 GLY H H 76 8.577 7.460 1.117 1
1 737 . 10 1 1 A 76 76 GLY HA2 H 76 3.647 4.100 -0.453 1
1 738 . 10 1 1 A 76 76 GLY HA3 H 76 4.510 4.104 0.406 1
1 739 . 10 1 1 A 76 76 GLY CA C 76 45.092 45.567 -0.475 1
1 740 . 10 1 1 A 76 76 GLY N N 76 111.539 109.396 2.143 1
1 741 . 10 1 1 A 77 77 MET H H 77 7.609 7.585 0.024 1
1 742 . 10 1 1 A 77 77 MET HA H 77 3.948 4.379 -0.431 1
1 747 . 10 1 1 A 77 77 MET CA C 77 58.260 55.721 2.539 1
1 748 . 10 1 1 A 77 77 MET CB C 77 34.641 33.279 1.362 1
1 750 . 10 1 1 A 77 77 MET N N 77 119.140 118.907 0.233 1
1 751 . 10 1 1 A 78 78 LYS H H 78 8.348 8.686 -0.338 1
1 752 . 10 1 1 A 78 78 LYS HA H 78 5.015 5.137 -0.122 1
1 761 . 10 1 1 A 78 78 LYS CA C 78 54.136 54.466 -0.330 1
1 762 . 10 1 1 A 78 78 LYS CB C 78 34.944 35.963 -1.019 1
1 766 . 10 1 1 A 78 78 LYS N N 78 119.308 119.908 -0.600 1
1 767 . 10 1 1 A 79 79 VAL H H 79 8.622 8.663 -0.041 1
1 768 . 10 1 1 A 79 79 VAL HA H 79 3.160 3.509 -0.349 1
1 776 . 10 1 1 A 79 79 VAL CA C 79 66.585 65.454 1.131 1
1 777 . 10 1 1 A 79 79 VAL CB C 79 31.690 31.293 0.397 1
1 780 . 10 1 1 A 79 79 VAL N N 79 123.215 121.901 1.314 1
1 781 . 10 1 1 A 80 80 GLY H H 80 8.623 8.860 -0.237 1
1 782 . 10 1 1 A 80 80 GLY HA2 H 80 3.901 4.032 -0.131 1
1 783 . 10 1 1 A 80 80 GLY HA3 H 80 4.654 4.036 0.618 1
1 784 . 10 1 1 A 80 80 GLY CA C 80 44.457 45.145 -0.688 1
1 785 . 10 1 1 A 80 80 GLY N N 80 115.910 114.835 1.075 1
1 786 . 10 1 1 A 81 81 GLY H H 81 9.283 8.336 0.947 1
1 787 . 10 1 1 A 81 81 GLY HA2 H 81 3.574 3.927 -0.353 1
1 788 . 10 1 1 A 81 81 GLY HA3 H 81 3.916 3.934 -0.018 1
1 789 . 10 1 1 A 81 81 GLY CA C 81 45.310 45.417 -0.107 1
1 790 . 10 1 1 A 81 81 GLY N N 81 111.030 108.241 2.789 1
1 791 . 10 1 1 A 82 82 VAL H H 82 8.403 8.670 -0.267 1
1 792 . 10 1 1 A 82 82 VAL HA H 82 5.141 5.077 0.064 1
1 800 . 10 1 1 A 82 82 VAL CA C 82 61.633 61.322 0.311 1
1 801 . 10 1 1 A 82 82 VAL CB C 82 34.572 34.472 0.100 1
1 804 . 10 1 1 A 82 82 VAL N N 82 119.626 124.641 -5.015 1
1 805 . 10 1 1 A 83 83 ARG H H 83 9.383 8.460 0.923 1
1 806 . 10 1 1 A 83 83 ARG HA H 83 5.354 4.894 0.460 1
1 813 . 10 1 1 A 83 83 ARG CA C 83 54.577 54.646 -0.069 1
1 814 . 10 1 1 A 83 83 ARG CB C 83 35.933 34.448 1.485 1
1 817 . 10 1 1 A 83 83 ARG N N 83 130.545 125.652 4.893 1
1 818 . 10 1 1 A 84 84 ARG H H 84 9.618 8.737 0.881 1
1 819 . 10 1 1 A 84 84 ARG HA H 84 5.650 4.886 0.764 1
1 826 . 10 1 1 A 84 84 ARG CA C 84 54.383 55.219 -0.836 1
1 827 . 10 1 1 A 84 84 ARG CB C 84 32.969 31.488 1.481 1
1 830 . 10 1 1 A 84 84 ARG N N 84 127.552 121.002 6.550 1
1 831 . 10 1 1 A 85 85 LEU H H 85 10.121 9.181 0.940 1
1 832 . 10 1 1 A 85 85 LEU HA H 85 5.232 5.540 -0.308 1
1 842 . 10 1 1 A 85 85 LEU CA C 85 53.442 53.486 -0.044 1
1 843 . 10 1 1 A 85 85 LEU CB C 85 45.431 44.556 0.875 1
1 847 . 10 1 1 A 85 85 LEU N N 85 128.946 126.265 2.681 1
1 848 . 10 1 1 A 86 86 THR H H 86 9.594 9.009 0.585 1
1 849 . 10 1 1 A 86 86 THR HA H 86 5.081 4.996 0.085 1
1 854 . 10 1 1 A 86 86 THR CA C 86 63.525 62.505 1.020 1
1 855 . 10 1 1 A 86 86 THR CB C 86 68.690 69.396 -0.706 1
1 857 . 10 1 1 A 86 86 THR N N 86 121.842 120.364 1.478 1
1 858 . 10 1 1 A 87 87 ILE H H 87 10.109 9.106 1.003 1
1 859 . 10 1 1 A 87 87 ILE HA H 87 4.539 4.761 -0.222 1
1 869 . 10 1 1 A 87 87 ILE CA C 87 58.954 57.951 1.003 1
1 870 . 10 1 1 A 87 87 ILE CB C 87 40.704 38.548 2.156 1
1 874 . 10 1 1 A 87 87 ILE N N 87 129.512 128.938 0.574 1
1 875 . 10 1 1 A 88 88 PRO HA H 88 4.981 4.720 0.261 1
1 882 . 10 1 1 A 88 88 PRO CA C 88 61.675 61.800 -0.125 1
1 883 . 10 1 1 A 88 88 PRO CB C 88 30.917 32.625 -1.708 1
1 886 . 10 1 1 A 89 89 PRO HA H 89 4.439 4.322 0.117 1
1 893 . 10 1 1 A 89 89 PRO CA C 89 65.384 65.334 0.050 1
1 894 . 10 1 1 A 89 89 PRO CB C 89 30.913 32.093 -1.180 1
1 897 . 10 1 1 A 90 90 GLN H H 90 9.574 8.903 0.671 1
1 898 . 10 1 1 A 90 90 GLN HA H 90 4.296 4.195 0.101 1
1 905 . 10 1 1 A 90 90 GLN CA C 90 58.441 57.501 0.940 1
1 906 . 10 1 1 A 90 90 GLN CB C 90 26.402 27.395 -0.993 1
1 908 . 10 1 1 A 90 90 GLN N N 90 118.710 115.524 3.186 1
1 910 . 10 1 1 A 91 91 LEU H H 91 7.976 7.409 0.567 1
1 911 . 10 1 1 A 91 91 LEU HA H 91 4.636 4.660 -0.024 1
1 921 . 10 1 1 A 91 91 LEU CA C 91 53.625 54.300 -0.675 1
1 922 . 10 1 1 A 91 91 LEU CB C 91 42.819 43.425 -0.606 1
1 926 . 10 1 1 A 91 91 LEU N N 91 119.302 118.877 0.425 1
1 927 . 10 1 1 A 92 92 GLY H H 92 7.717 7.875 -0.158 1
1 928 . 10 1 1 A 92 92 GLY HA2 H 92 3.258 4.138 -0.880 1
1 929 . 10 1 1 A 92 92 GLY HA3 H 92 4.121 4.209 -0.088 1
1 930 . 10 1 1 A 92 92 GLY CA C 92 45.183 45.888 -0.705 1
1 931 . 10 1 1 A 92 92 GLY N N 92 110.415 107.917 2.498 1
1 932 . 10 1 1 A 93 93 TYR H H 93 9.662 8.679 0.983 1
1 933 . 10 1 1 A 93 93 TYR HA H 93 4.513 4.312 0.201 1
1 940 . 10 1 1 A 93 93 TYR CA C 93 58.603 61.047 -2.444 1
1 941 . 10 1 1 A 93 93 TYR CB C 93 37.762 39.020 -1.258 1
1 942 . 10 1 1 A 93 93 TYR N N 93 126.998 122.698 4.300 1
1 943 . 10 1 1 A 94 94 GLY H H 94 8.467 7.939 0.528 1
1 944 . 10 1 1 A 94 94 GLY HA2 H 94 3.633 4.101 -0.468 1
1 945 . 10 1 1 A 94 94 GLY HA3 H 94 3.888 4.114 -0.226 1
1 946 . 10 1 1 A 94 94 GLY CA C 94 47.023 43.762 3.261 1
1 947 . 10 1 1 A 94 94 GLY N N 94 108.486 105.558 2.928 1
1 948 . 10 1 1 A 95 95 ALA H H 95 7.636 8.571 -0.935 1
1 949 . 10 1 1 A 95 95 ALA HA H 95 4.151 4.235 -0.084 1
1 953 . 10 1 1 A 95 95 ALA CA C 95 53.326 52.997 0.329 1
1 954 . 10 1 1 A 95 95 ALA CB C 95 18.831 18.880 -0.049 1
1 955 . 10 1 1 A 96 96 ARG H H 96 7.910 7.809 0.101 1
1 956 . 10 1 1 A 96 96 ARG HA H 96 4.227 4.168 0.059 1
1 963 . 10 1 1 A 96 96 ARG CA C 96 57.514 56.444 1.070 1
1 964 . 10 1 1 A 96 96 ARG CB C 96 31.353 30.295 1.058 1
1 967 . 10 1 1 A 96 96 ARG N N 96 115.669 116.662 -0.993 1
1 968 . 10 1 1 A 97 97 GLY H H 97 6.917 7.888 -0.971 1
1 969 . 10 1 1 A 97 97 GLY HA2 H 97 3.272 4.016 -0.744 1
1 970 . 10 1 1 A 97 97 GLY HA3 H 97 3.908 4.050 -0.142 1
1 971 . 10 1 1 A 97 97 GLY CA C 97 44.693 44.878 -0.185 1
1 972 . 10 1 1 A 97 97 GLY N N 97 103.795 107.770 -3.975 1
1 973 . 10 1 1 A 98 98 ALA H H 98 8.187 8.270 -0.083 1
1 974 . 10 1 1 A 98 98 ALA HA H 98 4.287 4.470 -0.183 1
1 978 . 10 1 1 A 98 98 ALA CA C 98 52.717 53.243 -0.526 1
1 979 . 10 1 1 A 98 98 ALA CB C 98 20.563 20.588 -0.025 1
1 980 . 10 1 1 A 98 98 ALA N N 98 118.770 120.072 -1.302 1
1 981 . 10 1 1 A 99 99 GLY H H 99 8.904 8.133 0.771 1
1 982 . 10 1 1 A 99 99 GLY HA2 H 99 3.670 4.124 -0.454 1
1 983 . 10 1 1 A 99 99 GLY HA3 H 99 3.854 4.134 -0.280 1
1 984 . 10 1 1 A 99 99 GLY CA C 99 46.848 44.496 2.352 1
1 985 . 10 1 1 A 99 99 GLY N N 99 109.717 106.106 3.611 1
1 986 . 10 1 1 A 100 100 GLY H H 100 8.759 8.810 -0.051 1
1 987 . 10 1 1 A 100 100 GLY HA2 H 100 3.719 3.811 -0.092 1
1 988 . 10 1 1 A 100 100 GLY HA3 H 100 4.041 3.813 0.228 1
1 989 . 10 1 1 A 100 100 GLY CA C 100 45.655 47.171 -1.516 1
1 990 . 10 1 1 A 100 100 GLY N N 100 110.895 108.601 2.294 1
1 991 . 10 1 1 A 101 101 VAL H H 101 7.631 7.467 0.164 1
1 992 . 10 1 1 A 101 101 VAL HA H 101 4.226 4.198 0.028 1
1 1000 . 10 1 1 A 101 101 VAL CA C 101 62.518 60.739 1.779 1
1 1001 . 10 1 1 A 101 101 VAL CB C 101 34.660 31.531 3.129 1
1 1004 . 10 1 1 A 101 101 VAL N N 101 115.165 115.863 -0.698 1
1 1005 . 10 1 1 A 102 102 ILE H H 102 7.686 7.499 0.187 1
1 1006 . 10 1 1 A 102 102 ILE HA H 102 4.351 4.607 -0.256 1
1 1016 . 10 1 1 A 102 102 ILE CA C 102 57.498 58.113 -0.615 1
1 1017 . 10 1 1 A 102 102 ILE CB C 102 38.189 39.602 -1.413 1
1 1021 . 10 1 1 A 102 102 ILE N N 102 120.043 122.694 -2.651 1
1 1022 . 10 1 1 A 103 103 PRO HA H 103 4.727 4.707 0.020 1
1 1029 . 10 1 1 A 103 103 PRO CA C 103 61.614 61.693 -0.079 1
1 1030 . 10 1 1 A 103 103 PRO CB C 103 31.055 32.623 -1.568 1
1 1033 . 10 1 1 A 104 104 PRO HA H 104 3.778 4.441 -0.663 1
1 1040 . 10 1 1 A 104 104 PRO CA C 104 63.599 64.669 -1.070 1
1 1041 . 10 1 1 A 104 104 PRO CB C 104 33.183 31.685 1.498 1
1 1044 . 10 1 1 A 105 105 ASN H H 105 8.581 8.592 -0.011 1
1 1045 . 10 1 1 A 105 105 ASN HA H 105 3.928 4.821 -0.893 1
1 1050 . 10 1 1 A 105 105 ASN CA C 105 54.447 52.389 2.058 1
1 1051 . 10 1 1 A 105 105 ASN CB C 105 37.280 38.597 -1.317 1
1 1052 . 10 1 1 A 105 105 ASN N N 105 117.269 114.100 3.169 1
1 1054 . 10 1 1 A 106 106 ALA H H 106 7.637 7.174 0.463 1
1 1055 . 10 1 1 A 106 106 ALA HA H 106 4.456 4.366 0.090 1
1 1059 . 10 1 1 A 106 106 ALA CA C 106 52.493 52.386 0.107 1
1 1060 . 10 1 1 A 106 106 ALA CB C 106 20.938 19.672 1.266 1
1 1061 . 10 1 1 A 106 106 ALA N N 106 121.257 122.650 -1.393 1
1 1062 . 10 1 1 A 107 107 THR H H 107 8.492 8.408 0.084 1
1 1063 . 10 1 1 A 107 107 THR HA H 107 4.781 4.977 -0.196 1
1 1068 . 10 1 1 A 107 107 THR CA C 107 63.319 61.781 1.538 1
1 1069 . 10 1 1 A 107 107 THR CB C 107 69.430 70.846 -1.416 1
1 1071 . 10 1 1 A 107 107 THR N N 107 121.742 117.134 4.608 1
1 1072 . 10 1 1 A 108 108 LEU H H 108 8.900 8.797 0.103 1
1 1073 . 10 1 1 A 108 108 LEU HA H 108 5.132 5.174 -0.042 1
1 1083 . 10 1 1 A 108 108 LEU CA C 108 52.950 53.746 -0.796 1
1 1084 . 10 1 1 A 108 108 LEU CB C 108 46.730 44.490 2.240 1
1 1088 . 10 1 1 A 108 108 LEU N N 108 125.279 125.126 0.153 1
1 1089 . 10 1 1 A 109 109 VAL H H 109 8.933 8.791 0.142 1
1 1090 . 10 1 1 A 109 109 VAL HA H 109 5.532 4.754 0.778 1
1 1098 . 10 1 1 A 109 109 VAL CA C 109 60.793 61.340 -0.547 1
1 1099 . 10 1 1 A 109 109 VAL CB C 109 34.138 33.286 0.852 1
1 1102 . 10 1 1 A 109 109 VAL N N 109 122.496 125.290 -2.794 1
1 1103 . 10 1 1 A 110 110 PHE H H 110 9.737 8.992 0.745 1
1 1104 . 10 1 1 A 110 110 PHE HA H 110 6.457 5.037 1.420 1
1 1112 . 10 1 1 A 110 110 PHE CA C 110 55.265 56.114 -0.849 1
1 1113 . 10 1 1 A 110 110 PHE CB C 110 44.818 43.190 1.628 1
1 1114 . 10 1 1 A 110 110 PHE N N 110 121.114 123.860 -2.746 1
1 1115 . 10 1 1 A 111 111 GLU H H 111 9.223 8.916 0.307 1
1 1116 . 10 1 1 A 111 111 GLU HA H 111 5.202 4.638 0.564 1
1 1121 . 10 1 1 A 111 111 GLU CA C 111 56.709 55.050 1.659 1
1 1122 . 10 1 1 A 111 111 GLU CB C 111 32.338 31.010 1.328 1
1 1124 . 10 1 1 A 111 111 GLU N N 111 122.210 123.402 -1.192 1
1 1125 . 10 1 1 A 112 112 VAL H H 112 9.269 8.687 0.582 1
1 1126 . 10 1 1 A 112 112 VAL HA H 112 4.796 4.729 0.067 1
1 1134 . 10 1 1 A 112 112 VAL CA C 112 61.127 61.343 -0.216 1
1 1135 . 10 1 1 A 112 112 VAL CB C 112 34.634 33.172 1.462 1
1 1136 . 10 1 1 A 112 112 VAL N N 112 126.195 126.349 -0.154 1
1 1137 . 10 1 1 A 113 113 GLU H H 113 9.545 9.071 0.474 1
1 1138 . 10 1 1 A 113 113 GLU HA H 113 5.483 5.088 0.395 1
1 1143 . 10 1 1 A 113 113 GLU CA C 113 53.159 55.265 -2.106 1
1 1144 . 10 1 1 A 113 113 GLU CB C 113 32.657 32.736 -0.079 1
1 1146 . 10 1 1 A 113 113 GLU N N 113 128.111 128.498 -0.387 1
1 1147 . 10 1 1 A 114 114 LEU H H 114 8.261 8.722 -0.461 1
1 1148 . 10 1 1 A 114 114 LEU HA H 114 4.634 4.534 0.100 1
1 1158 . 10 1 1 A 114 114 LEU CA C 114 55.217 55.225 -0.008 1
1 1159 . 10 1 1 A 114 114 LEU CB C 114 41.826 42.573 -0.747 1
1 1163 . 10 1 1 A 114 114 LEU N N 114 126.273 128.606 -2.333 1
1 1164 . 10 1 1 A 115 115 LEU H H 115 9.258 8.993 0.265 1
1 1165 . 10 1 1 A 115 115 LEU HA H 115 4.453 4.346 0.107 1
1 1175 . 10 1 1 A 115 115 LEU CA C 115 55.791 56.345 -0.554 1
1 1176 . 10 1 1 A 115 115 LEU CB C 115 42.897 42.449 0.448 1
1 1180 . 10 1 1 A 115 115 LEU N N 115 130.031 128.699 1.332 1
1 1181 . 10 1 1 A 116 116 ASP H H 116 7.748 7.246 0.502 1
1 1182 . 10 1 1 A 116 116 ASP HA H 116 4.672 5.054 -0.382 1
1 1185 . 10 1 1 A 116 116 ASP CA C 116 54.385 53.157 1.228 1
1 1186 . 10 1 1 A 116 116 ASP CB C 116 43.828 45.057 -1.229 1
1 1187 . 10 1 1 A 116 116 ASP N N 116 115.338 115.869 -0.531 1
1 1 . 11 1 1 A 3 3 GLY H H 3 8.684 9.030 -0.346 1
1 2 . 11 1 1 A 3 3 GLY HA2 H 3 3.959 3.880 0.079 1
1 3 . 11 1 1 A 3 3 GLY HA3 H 3 3.959 3.881 0.078 1
1 4 . 11 1 1 A 3 3 GLY N N 3 110.167 110.347 -0.180 1
1 5 . 11 1 1 A 4 4 SER H H 4 8.315 7.700 0.615 1
1 6 . 11 1 1 A 4 4 SER HA H 4 4.468 4.614 -0.146 1
1 9 . 11 1 1 A 4 4 SER CA C 4 58.355 57.302 1.053 1
1 10 . 11 1 1 A 4 4 SER N N 4 115.851 114.032 1.819 1
1 11 . 11 1 1 A 5 5 MET H H 5 8.640 8.474 0.166 1
1 12 . 11 1 1 A 5 5 MET HA H 5 4.554 5.111 -0.557 1
1 17 . 11 1 1 A 5 5 MET CA C 5 55.754 54.113 1.641 1
1 18 . 11 1 1 A 5 5 MET CB C 5 32.870 33.087 -0.217 1
1 20 . 11 1 1 A 5 5 MET N N 5 122.413 122.181 0.232 1
1 21 . 11 1 1 A 6 6 THR H H 6 8.265 8.662 -0.397 1
1 22 . 11 1 1 A 6 6 THR HA H 6 4.296 5.223 -0.927 1
1 27 . 11 1 1 A 6 6 THR CA C 6 62.224 60.650 1.574 1
1 28 . 11 1 1 A 6 6 THR CB C 6 69.806 70.581 -0.775 1
1 30 . 11 1 1 A 6 6 THR N N 6 116.270 114.601 1.669 1
1 31 . 11 1 1 A 7 7 VAL H H 7 8.068 8.791 -0.723 1
1 32 . 11 1 1 A 7 7 VAL HA H 7 4.200 4.230 -0.030 1
1 40 . 11 1 1 A 7 7 VAL CA C 7 62.021 62.623 -0.602 1
1 41 . 11 1 1 A 7 7 VAL CB C 7 32.773 32.424 0.349 1
1 44 . 11 1 1 A 7 7 VAL N N 7 124.632 127.315 -2.683 1
1 45 . 11 1 1 A 8 8 VAL H H 8 8.985 8.042 0.943 1
1 46 . 11 1 1 A 8 8 VAL HA H 8 3.872 4.811 -0.939 1
1 54 . 11 1 1 A 8 8 VAL CA C 8 61.848 60.564 1.284 1
1 55 . 11 1 1 A 8 8 VAL CB C 8 33.157 34.148 -0.991 1
1 58 . 11 1 1 A 8 8 VAL N N 8 132.503 128.957 3.546 1
1 59 . 11 1 1 A 9 9 THR H H 9 8.213 8.846 -0.633 1
1 60 . 11 1 1 A 9 9 THR HA H 9 5.250 4.993 0.257 1
1 65 . 11 1 1 A 9 9 THR CA C 9 61.040 61.555 -0.515 1
1 66 . 11 1 1 A 9 9 THR CB C 9 69.773 71.098 -1.325 1
1 68 . 11 1 1 A 9 9 THR N N 9 121.386 123.274 -1.888 1
1 69 . 11 1 1 A 10 10 THR H H 10 9.318 8.641 0.677 1
1 70 . 11 1 1 A 10 10 THR HA H 10 4.693 4.931 -0.238 1
1 75 . 11 1 1 A 10 10 THR CA C 10 60.077 60.135 -0.058 1
1 76 . 11 1 1 A 10 10 THR CB C 10 70.131 71.185 -1.054 1
1 78 . 11 1 1 A 10 10 THR N N 10 119.882 115.101 4.781 1
1 79 . 11 1 1 A 11 11 GLU H H 11 9.051 9.007 0.044 1
1 80 . 11 1 1 A 11 11 GLU HA H 11 4.028 4.022 0.006 1
1 85 . 11 1 1 A 11 11 GLU CA C 11 59.072 59.459 -0.387 1
1 86 . 11 1 1 A 11 11 GLU CB C 11 29.516 29.252 0.264 1
1 88 . 11 1 1 A 11 11 GLU N N 11 120.586 122.497 -1.911 1
1 89 . 11 1 1 A 12 12 SER H H 12 8.445 7.701 0.744 1
1 90 . 11 1 1 A 12 12 SER HA H 12 4.302 4.506 -0.204 1
1 93 . 11 1 1 A 12 12 SER CA C 12 58.483 59.046 -0.563 1
1 94 . 11 1 1 A 12 12 SER CB C 12 63.034 63.824 -0.790 1
1 95 . 11 1 1 A 12 12 SER N N 12 114.574 113.488 1.086 1
1 96 . 11 1 1 A 13 13 GLY H H 13 7.798 7.498 0.300 1
1 97 . 11 1 1 A 13 13 GLY HA2 H 13 3.425 4.059 -0.634 1
1 98 . 11 1 1 A 13 13 GLY HA3 H 13 4.401 4.062 0.339 1
1 99 . 11 1 1 A 13 13 GLY CA C 13 44.276 45.273 -0.997 1
1 100 . 11 1 1 A 13 13 GLY N N 13 109.024 108.952 0.072 1
1 101 . 11 1 1 A 14 14 LEU H H 14 7.501 7.847 -0.346 1
1 102 . 11 1 1 A 14 14 LEU HA H 14 3.967 4.363 -0.396 1
1 112 . 11 1 1 A 14 14 LEU CA C 14 56.343 55.894 0.449 1
1 113 . 11 1 1 A 14 14 LEU CB C 14 41.856 42.799 -0.943 1
1 117 . 11 1 1 A 14 14 LEU N N 14 123.870 123.150 0.720 1
1 118 . 11 1 1 A 15 15 LYS H H 15 7.812 8.430 -0.618 1
1 119 . 11 1 1 A 15 15 LYS HA H 15 5.942 5.227 0.715 1
1 127 . 11 1 1 A 15 15 LYS CA C 15 54.052 54.504 -0.452 1
1 128 . 11 1 1 A 15 15 LYS CB C 15 36.289 35.777 0.512 1
1 132 . 11 1 1 A 15 15 LYS N N 15 123.667 125.112 -1.445 1
1 133 . 11 1 1 A 16 16 TYR H H 16 9.289 8.933 0.356 1
1 134 . 11 1 1 A 16 16 TYR HA H 16 5.996 5.499 0.497 1
1 141 . 11 1 1 A 16 16 TYR CA C 16 55.784 56.195 -0.411 1
1 142 . 11 1 1 A 16 16 TYR CB C 16 43.297 41.844 1.453 1
1 143 . 11 1 1 A 16 16 TYR N N 16 117.890 117.724 0.166 1
1 144 . 11 1 1 A 17 17 GLU H H 17 8.728 8.944 -0.216 1
1 145 . 11 1 1 A 17 17 GLU HA H 17 4.860 4.824 0.036 1
1 150 . 11 1 1 A 17 17 GLU CA C 17 54.072 54.792 -0.720 1
1 151 . 11 1 1 A 17 17 GLU CB C 17 35.222 33.257 1.965 1
1 152 . 11 1 1 A 17 17 GLU N N 17 118.386 121.774 -3.388 1
1 153 . 11 1 1 A 18 18 ASP H H 18 9.596 8.843 0.753 1
1 154 . 11 1 1 A 18 18 ASP HA H 18 5.296 4.769 0.527 1
1 157 . 11 1 1 A 18 18 ASP CA C 18 55.695 54.739 0.956 1
1 158 . 11 1 1 A 18 18 ASP CB C 18 40.940 41.183 -0.243 1
1 159 . 11 1 1 A 18 18 ASP N N 18 127.059 127.356 -0.297 1
1 160 . 11 1 1 A 19 19 LEU H H 19 8.609 9.030 -0.421 1
1 161 . 11 1 1 A 19 19 LEU HA H 19 4.275 4.600 -0.325 1
1 171 . 11 1 1 A 19 19 LEU CA C 19 56.923 55.898 1.025 1
1 172 . 11 1 1 A 19 19 LEU CB C 19 41.074 43.938 -2.864 1
1 176 . 11 1 1 A 19 19 LEU N N 19 128.620 126.911 1.709 1
1 177 . 11 1 1 A 20 20 THR H H 20 8.136 7.944 0.192 1
1 178 . 11 1 1 A 20 20 THR HA H 20 4.400 4.779 -0.379 1
1 183 . 11 1 1 A 20 20 THR CA C 20 61.835 61.480 0.355 1
1 184 . 11 1 1 A 20 20 THR CB C 20 72.411 71.440 0.971 1
1 186 . 11 1 1 A 20 20 THR N N 20 112.473 112.016 0.457 1
1 187 . 11 1 1 A 21 21 GLU H H 21 9.354 8.900 0.454 1
1 188 . 11 1 1 A 21 21 GLU HA H 21 4.370 4.185 0.185 1
1 193 . 11 1 1 A 21 21 GLU CA C 21 56.277 57.915 -1.638 1
1 194 . 11 1 1 A 21 21 GLU CB C 21 30.368 31.136 -0.768 1
1 196 . 11 1 1 A 21 21 GLU N N 21 130.043 127.756 2.287 1
1 197 . 11 1 1 A 22 22 GLY H H 22 9.071 8.367 0.704 1
1 198 . 11 1 1 A 22 22 GLY HA2 H 22 3.446 4.224 -0.778 1
1 199 . 11 1 1 A 22 22 GLY HA3 H 22 3.742 4.224 -0.482 1
1 200 . 11 1 1 A 22 22 GLY CA C 22 45.343 45.434 -0.091 1
1 201 . 11 1 1 A 22 22 GLY N N 22 113.930 111.080 2.850 1
1 202 . 11 1 1 A 23 23 SER H H 23 8.040 8.843 -0.803 1
1 203 . 11 1 1 A 23 23 SER HA H 23 4.671 4.692 -0.021 1
1 206 . 11 1 1 A 23 23 SER CA C 23 57.488 57.848 -0.360 1
1 207 . 11 1 1 A 23 23 SER CB C 23 65.069 61.489 3.580 1
1 208 . 11 1 1 A 23 23 SER N N 23 111.747 121.981 -10.234 1
1 209 . 11 1 1 A 24 24 GLY H H 24 8.418 8.238 0.180 1
1 210 . 11 1 1 A 24 24 GLY HA2 H 24 3.693 4.055 -0.362 1
1 211 . 11 1 1 A 24 24 GLY HA3 H 24 4.328 4.055 0.273 1
1 212 . 11 1 1 A 24 24 GLY CA C 24 44.138 45.139 -1.001 1
1 213 . 11 1 1 A 24 24 GLY N N 24 111.391 112.935 -1.544 1
1 214 . 11 1 1 A 25 25 ALA H H 25 8.342 8.248 0.094 1
1 215 . 11 1 1 A 25 25 ALA HA H 25 4.061 4.957 -0.896 1
1 219 . 11 1 1 A 25 25 ALA CA C 25 52.551 51.132 1.419 1
1 220 . 11 1 1 A 25 25 ALA CB C 25 19.752 22.603 -2.851 1
1 221 . 11 1 1 A 25 25 ALA N N 25 123.675 122.697 0.978 1
1 222 . 11 1 1 A 26 26 GLU H H 26 8.194 8.541 -0.347 1
1 223 . 11 1 1 A 26 26 GLU HA H 26 4.498 4.746 -0.248 1
1 228 . 11 1 1 A 26 26 GLU CA C 26 55.174 56.303 -1.129 1
1 229 . 11 1 1 A 26 26 GLU CB C 26 31.906 30.459 1.447 1
1 231 . 11 1 1 A 26 26 GLU N N 26 119.186 122.861 -3.675 1
1 232 . 11 1 1 A 27 27 ALA H H 27 8.930 8.179 0.751 1
1 233 . 11 1 1 A 27 27 ALA HA H 27 4.527 4.224 0.303 1
1 237 . 11 1 1 A 27 27 ALA CA C 27 51.815 52.811 -0.996 1
1 238 . 11 1 1 A 27 27 ALA CB C 27 19.057 19.232 -0.175 1
1 239 . 11 1 1 A 27 27 ALA N N 27 127.513 126.954 0.559 1
1 240 . 11 1 1 A 28 28 ARG H H 28 8.348 8.752 -0.404 1
1 241 . 11 1 1 A 28 28 ARG HA H 28 4.563 4.818 -0.255 1
1 246 . 11 1 1 A 28 28 ARG CA C 28 53.584 53.833 -0.249 1
1 247 . 11 1 1 A 28 28 ARG CB C 28 33.571 33.565 0.006 1
1 250 . 11 1 1 A 28 28 ARG N N 28 124.054 120.437 3.617 1
1 251 . 11 1 1 A 29 29 ALA H H 29 8.387 8.617 -0.230 1
1 252 . 11 1 1 A 29 29 ALA HA H 29 3.594 4.094 -0.500 1
1 256 . 11 1 1 A 29 29 ALA CA C 29 53.535 53.924 -0.389 1
1 257 . 11 1 1 A 29 29 ALA CB C 29 17.781 18.332 -0.551 1
1 258 . 11 1 1 A 29 29 ALA N N 29 122.289 126.739 -4.450 1
1 259 . 11 1 1 A 30 30 GLY H H 30 9.043 8.858 0.185 1
1 260 . 11 1 1 A 30 30 GLY HA2 H 30 3.451 3.986 -0.535 1
1 261 . 11 1 1 A 30 30 GLY HA3 H 30 4.378 3.987 0.391 1
1 262 . 11 1 1 A 30 30 GLY CA C 30 44.562 45.094 -0.532 1
1 263 . 11 1 1 A 30 30 GLY N N 30 110.956 111.125 -0.169 1
1 264 . 11 1 1 A 31 31 GLN H H 31 7.620 7.668 -0.048 1
1 265 . 11 1 1 A 31 31 GLN HA H 31 4.343 4.662 -0.319 1
1 272 . 11 1 1 A 31 31 GLN CA C 31 55.410 54.983 0.427 1
1 273 . 11 1 1 A 31 31 GLN CB C 31 30.151 30.700 -0.549 1
1 275 . 11 1 1 A 31 31 GLN N N 31 119.756 118.492 1.264 1
1 277 . 11 1 1 A 32 32 THR H H 32 8.793 8.539 0.254 1
1 278 . 11 1 1 A 32 32 THR HA H 32 4.463 5.096 -0.633 1
1 283 . 11 1 1 A 32 32 THR CA C 32 63.072 61.902 1.170 1
1 284 . 11 1 1 A 32 32 THR CB C 32 68.380 70.574 -2.194 1
1 286 . 11 1 1 A 32 32 THR N N 32 119.718 117.859 1.859 1
1 287 . 11 1 1 A 33 33 VAL H H 33 8.393 8.880 -0.487 1
1 288 . 11 1 1 A 33 33 VAL HA H 33 4.712 4.937 -0.225 1
1 296 . 11 1 1 A 33 33 VAL CA C 33 58.274 59.151 -0.877 1
1 297 . 11 1 1 A 33 33 VAL CB C 33 33.309 36.279 -2.970 1
1 300 . 11 1 1 A 33 33 VAL N N 33 120.513 119.287 1.226 1
1 301 . 11 1 1 A 34 34 SER H H 34 7.865 8.702 -0.837 1
1 302 . 11 1 1 A 34 34 SER HA H 34 5.262 5.325 -0.063 1
1 305 . 11 1 1 A 34 34 SER CA C 34 56.443 57.754 -1.311 1
1 306 . 11 1 1 A 34 34 SER CB C 34 64.882 64.381 0.501 1
1 307 . 11 1 1 A 34 34 SER N N 34 113.652 118.136 -4.484 1
1 308 . 11 1 1 A 35 35 VAL H H 35 9.531 9.328 0.203 1
1 309 . 11 1 1 A 35 35 VAL HA H 35 5.715 5.200 0.515 1
1 317 . 11 1 1 A 35 35 VAL CA C 35 58.226 58.970 -0.744 1
1 318 . 11 1 1 A 35 35 VAL CB C 35 35.412 36.288 -0.876 1
1 321 . 11 1 1 A 35 35 VAL N N 35 117.985 119.804 -1.819 1
1 322 . 11 1 1 A 36 36 HIS H H 36 8.812 8.595 0.217 1
1 323 . 11 1 1 A 36 36 HIS HA H 36 5.784 5.602 0.182 1
1 328 . 11 1 1 A 36 36 HIS CA C 36 54.671 53.564 1.107 1
1 329 . 11 1 1 A 36 36 HIS CB C 36 35.786 33.212 2.574 1
1 330 . 11 1 1 A 36 36 HIS N N 36 118.227 119.349 -1.122 1
1 331 . 11 1 1 A 37 37 TYR H H 37 9.680 8.851 0.829 1
1 332 . 11 1 1 A 37 37 TYR HA H 37 6.201 5.903 0.298 1
1 339 . 11 1 1 A 37 37 TYR CA C 37 56.280 55.413 0.867 1
1 340 . 11 1 1 A 37 37 TYR CB C 37 43.791 41.294 2.497 1
1 341 . 11 1 1 A 37 37 TYR N N 37 116.878 119.520 -2.642 1
1 342 . 11 1 1 A 38 38 THR H H 38 8.478 8.778 -0.300 1
1 343 . 11 1 1 A 38 38 THR HA H 38 4.374 4.595 -0.221 1
1 348 . 11 1 1 A 38 38 THR CA C 38 62.692 60.227 2.465 1
1 349 . 11 1 1 A 38 38 THR CB C 38 71.675 70.352 1.323 1
1 351 . 11 1 1 A 38 38 THR N N 38 117.172 118.003 -0.831 1
1 352 . 11 1 1 A 39 39 GLY H H 39 8.332 8.503 -0.171 1
1 353 . 11 1 1 A 39 39 GLY HA2 H 39 1.943 2.681 -0.738 1
1 354 . 11 1 1 A 39 39 GLY HA3 H 39 4.624 3.232 1.392 1
1 355 . 11 1 1 A 39 39 GLY CA C 39 44.767 45.108 -0.341 1
1 356 . 11 1 1 A 39 39 GLY N N 39 113.042 112.805 0.237 1
1 357 . 11 1 1 A 40 40 TRP H H 40 9.669 8.680 0.989 1
1 358 . 11 1 1 A 40 40 TRP HA H 40 5.499 5.433 0.066 1
1 366 . 11 1 1 A 40 40 TRP CA C 40 57.026 55.821 1.205 1
1 367 . 11 1 1 A 40 40 TRP CB C 40 34.177 32.142 2.035 1
1 368 . 11 1 1 A 40 40 TRP N N 40 123.550 125.525 -1.975 1
1 370 . 11 1 1 A 41 41 LEU H H 41 8.699 9.282 -0.583 1
1 371 . 11 1 1 A 41 41 LEU HA H 41 5.056 4.721 0.335 1
1 381 . 11 1 1 A 41 41 LEU CA C 41 54.040 53.813 0.227 1
1 382 . 11 1 1 A 41 41 LEU CB C 41 41.981 42.529 -0.548 1
1 386 . 11 1 1 A 41 41 LEU N N 41 119.318 123.965 -4.647 1
1 387 . 11 1 1 A 42 42 THR H H 42 9.418 8.909 0.509 1
1 388 . 11 1 1 A 42 42 THR HA H 42 3.962 3.993 -0.031 1
1 393 . 11 1 1 A 42 42 THR CA C 42 65.117 65.271 -0.154 1
1 394 . 11 1 1 A 42 42 THR CB C 42 68.693 68.367 0.326 1
1 396 . 11 1 1 A 42 42 THR N N 42 112.465 117.517 -5.052 1
1 397 . 11 1 1 A 43 43 ASP H H 43 7.690 7.756 -0.066 1
1 398 . 11 1 1 A 43 43 ASP HA H 43 4.538 4.674 -0.136 1
1 401 . 11 1 1 A 43 43 ASP CA C 43 53.655 54.206 -0.551 1
1 402 . 11 1 1 A 43 43 ASP CB C 43 40.109 41.313 -1.204 1
1 403 . 11 1 1 A 43 43 ASP N N 43 118.952 121.196 -2.244 1
1 404 . 11 1 1 A 44 44 GLY H H 44 8.043 8.276 -0.233 1
1 405 . 11 1 1 A 44 44 GLY HA2 H 44 3.521 3.892 -0.371 1
1 406 . 11 1 1 A 44 44 GLY HA3 H 44 4.318 3.902 0.416 1
1 407 . 11 1 1 A 44 44 GLY CA C 44 44.869 45.040 -0.171 1
1 408 . 11 1 1 A 44 44 GLY N N 44 107.790 107.588 0.202 1
1 409 . 11 1 1 A 45 45 GLN H H 45 8.355 7.824 0.531 1
1 410 . 11 1 1 A 45 45 GLN HA H 45 4.319 4.555 -0.236 1
1 417 . 11 1 1 A 45 45 GLN CA C 45 56.909 55.099 1.810 1
1 418 . 11 1 1 A 45 45 GLN CB C 45 29.837 30.138 -0.301 1
1 420 . 11 1 1 A 45 45 GLN N N 45 121.541 118.703 2.838 1
1 422 . 11 1 1 A 46 46 LYS H H 46 8.915 8.572 0.343 1
1 423 . 11 1 1 A 46 46 LYS HA H 46 4.454 4.644 -0.190 1
1 432 . 11 1 1 A 46 46 LYS CA C 46 55.782 56.583 -0.801 1
1 433 . 11 1 1 A 46 46 LYS CB C 46 33.097 33.485 -0.388 1
1 437 . 11 1 1 A 46 46 LYS N N 46 129.310 125.797 3.513 1
1 438 . 11 1 1 A 47 47 PHE H H 47 8.440 8.881 -0.441 1
1 439 . 11 1 1 A 47 47 PHE HA H 47 5.103 4.991 0.112 1
1 447 . 11 1 1 A 47 47 PHE CA C 47 56.272 56.603 -0.331 1
1 448 . 11 1 1 A 47 47 PHE CB C 47 41.094 40.995 0.099 1
1 449 . 11 1 1 A 47 47 PHE N N 47 122.874 122.474 0.400 1
1 450 . 11 1 1 A 48 48 ASP H H 48 6.744 7.105 -0.361 1
1 451 . 11 1 1 A 48 48 ASP HA H 48 4.790 4.837 -0.047 1
1 454 . 11 1 1 A 48 48 ASP CA C 48 54.518 54.344 0.174 1
1 455 . 11 1 1 A 48 48 ASP CB C 48 43.929 43.980 -0.051 1
1 456 . 11 1 1 A 48 48 ASP N N 48 118.152 119.868 -1.716 1
1 457 . 11 1 1 A 49 49 SER H H 49 8.122 8.517 -0.395 1
1 458 . 11 1 1 A 49 49 SER HA H 49 4.608 5.063 -0.455 1
1 461 . 11 1 1 A 49 49 SER CA C 49 56.963 55.890 1.073 1
1 462 . 11 1 1 A 49 49 SER CB C 49 64.699 66.394 -1.695 1
1 463 . 11 1 1 A 49 49 SER N N 49 117.585 119.898 -2.313 1
1 464 . 11 1 1 A 50 50 SER H H 50 8.020 8.865 -0.845 1
1 465 . 11 1 1 A 50 50 SER HA H 50 4.045 4.007 0.038 1
1 468 . 11 1 1 A 50 50 SER CA C 50 61.482 60.334 1.148 1
1 469 . 11 1 1 A 50 50 SER CB C 50 61.488 62.641 -1.153 1
1 470 . 11 1 1 A 50 50 SER N N 50 124.801 118.761 6.040 1
1 471 . 11 1 1 A 51 51 LYS H H 51 7.730 8.425 -0.695 1
1 472 . 11 1 1 A 51 51 LYS HA H 51 3.505 4.112 -0.607 1
1 481 . 11 1 1 A 51 51 LYS CA C 51 58.921 59.079 -0.158 1
1 482 . 11 1 1 A 51 51 LYS CB C 51 31.346 31.510 -0.164 1
1 486 . 11 1 1 A 51 51 LYS N N 51 124.103 118.869 5.234 1
1 487 . 11 1 1 A 52 52 ASP H H 52 7.324 7.927 -0.603 1
1 488 . 11 1 1 A 52 52 ASP HA H 52 4.284 4.385 -0.101 1
1 491 . 11 1 1 A 52 52 ASP CA C 52 56.524 57.374 -0.850 1
1 492 . 11 1 1 A 52 52 ASP CB C 52 40.201 41.723 -1.522 1
1 493 . 11 1 1 A 52 52 ASP N N 52 118.971 119.971 -1.000 1
1 494 . 11 1 1 A 53 53 ARG H H 53 6.923 7.761 -0.838 1
1 495 . 11 1 1 A 53 53 ARG HA H 53 4.461 4.422 0.039 1
1 502 . 11 1 1 A 53 53 ARG CA C 53 55.597 57.065 -1.468 1
1 503 . 11 1 1 A 53 53 ARG CB C 53 31.289 31.422 -0.133 1
1 506 . 11 1 1 A 53 53 ARG N N 53 114.803 119.193 -4.390 1
1 507 . 11 1 1 A 54 54 ASN H H 54 7.827 7.730 0.097 1
1 508 . 11 1 1 A 54 54 ASN HA H 54 4.352 4.340 0.012 1
1 513 . 11 1 1 A 54 54 ASN CA C 54 54.339 54.491 -0.152 1
1 514 . 11 1 1 A 54 54 ASN CB C 54 37.849 36.628 1.221 1
1 515 . 11 1 1 A 54 54 ASN N N 54 117.421 116.622 0.799 1
1 517 . 11 1 1 A 55 55 ASP H H 55 7.580 7.881 -0.301 1
1 518 . 11 1 1 A 55 55 ASP HA H 55 5.360 5.099 0.261 1
1 521 . 11 1 1 A 55 55 ASP CA C 55 51.697 51.903 -0.206 1
1 522 . 11 1 1 A 55 55 ASP CB C 55 43.377 44.261 -0.884 1
1 523 . 11 1 1 A 55 55 ASP N N 55 115.802 117.893 -2.091 1
1 524 . 11 1 1 A 56 56 PRO HA H 56 4.022 3.739 0.283 1
1 531 . 11 1 1 A 56 56 PRO CA C 56 63.115 62.375 0.740 1
1 532 . 11 1 1 A 56 56 PRO CB C 56 32.348 32.354 -0.006 1
1 535 . 11 1 1 A 57 57 PHE H H 57 9.207 8.466 0.741 1
1 536 . 11 1 1 A 57 57 PHE HA H 57 4.874 4.669 0.205 1
1 544 . 11 1 1 A 57 57 PHE CA C 57 57.290 57.426 -0.136 1
1 545 . 11 1 1 A 57 57 PHE CB C 57 42.517 39.291 3.226 1
1 546 . 11 1 1 A 57 57 PHE N N 57 124.509 122.980 1.529 1
1 547 . 11 1 1 A 58 58 ALA H H 58 7.942 8.840 -0.898 1
1 548 . 11 1 1 A 58 58 ALA HA H 58 5.928 5.631 0.297 1
1 552 . 11 1 1 A 58 58 ALA CA C 58 49.705 50.341 -0.636 1
1 553 . 11 1 1 A 58 58 ALA CB C 58 21.621 21.871 -0.250 1
1 554 . 11 1 1 A 58 58 ALA N N 58 130.661 130.133 0.528 1
1 555 . 11 1 1 A 59 59 PHE H H 59 8.455 8.750 -0.295 1
1 556 . 11 1 1 A 59 59 PHE HA H 59 4.660 5.087 -0.427 1
1 564 . 11 1 1 A 59 59 PHE CA C 59 55.610 56.125 -0.515 1
1 565 . 11 1 1 A 59 59 PHE CB C 59 40.857 40.722 0.135 1
1 566 . 11 1 1 A 59 59 PHE N N 59 114.967 116.936 -1.969 1
1 567 . 11 1 1 A 60 60 VAL H H 60 8.168 8.585 -0.417 1
1 568 . 11 1 1 A 60 60 VAL HA H 60 4.084 4.605 -0.521 1
1 576 . 11 1 1 A 60 60 VAL CA C 60 61.907 59.577 2.330 1
1 577 . 11 1 1 A 60 60 VAL CB C 60 31.564 34.114 -2.550 1
1 580 . 11 1 1 A 60 60 VAL N N 60 120.308 120.110 0.198 1
1 581 . 11 1 1 A 61 61 LEU H H 61 8.900 8.336 0.564 1
1 582 . 11 1 1 A 61 61 LEU HA H 61 4.248 3.967 0.281 1
1 592 . 11 1 1 A 61 61 LEU CA C 61 56.558 56.054 0.504 1
1 593 . 11 1 1 A 61 61 LEU CB C 61 41.736 41.926 -0.190 1
1 597 . 11 1 1 A 61 61 LEU N N 61 134.513 129.299 5.214 1
1 598 . 11 1 1 A 62 62 GLY H H 62 9.652 9.161 0.491 1
1 599 . 11 1 1 A 62 62 GLY HA2 H 62 3.558 4.043 -0.485 1
1 600 . 11 1 1 A 62 62 GLY HA3 H 62 4.154 4.072 0.082 1
1 601 . 11 1 1 A 62 62 GLY CA C 62 45.721 45.428 0.293 1
1 602 . 11 1 1 A 62 62 GLY N N 62 119.352 114.919 4.433 1
1 603 . 11 1 1 A 63 63 GLY H H 63 8.338 7.798 0.540 1
1 604 . 11 1 1 A 63 63 GLY HA2 H 63 3.557 3.978 -0.421 1
1 605 . 11 1 1 A 63 63 GLY HA3 H 63 4.298 4.028 0.270 1
1 606 . 11 1 1 A 63 63 GLY CA C 63 45.442 47.004 -1.562 1
1 607 . 11 1 1 A 63 63 GLY N N 63 107.002 108.173 -1.171 1
1 608 . 11 1 1 A 64 64 GLY H H 64 9.301 8.360 0.941 1
1 609 . 11 1 1 A 64 64 GLY HA2 H 64 4.057 4.060 -0.003 1
1 610 . 11 1 1 A 64 64 GLY HA3 H 64 4.057 4.069 -0.012 1
1 611 . 11 1 1 A 64 64 GLY CA C 64 46.425 46.085 0.340 1
1 612 . 11 1 1 A 64 64 GLY N N 64 112.092 107.148 4.944 1
1 613 . 11 1 1 A 65 65 MET H H 65 9.574 8.190 1.384 1
1 614 . 11 1 1 A 65 65 MET HA H 65 4.546 4.682 -0.136 1
1 619 . 11 1 1 A 65 65 MET CA C 65 55.641 54.599 1.042 1
1 620 . 11 1 1 A 65 65 MET CB C 65 33.268 33.975 -0.707 1
1 622 . 11 1 1 A 65 65 MET N N 65 118.659 117.554 1.105 1
1 623 . 11 1 1 A 66 66 VAL H H 66 6.867 7.456 -0.589 1
1 624 . 11 1 1 A 66 66 VAL HA H 66 4.454 4.565 -0.111 1
1 632 . 11 1 1 A 66 66 VAL CA C 66 57.545 58.544 -0.999 1
1 633 . 11 1 1 A 66 66 VAL CB C 66 35.736 35.764 -0.028 1
1 636 . 11 1 1 A 66 66 VAL N N 66 108.649 116.015 -7.366 1
1 637 . 11 1 1 A 67 67 ILE H H 67 7.158 7.781 -0.623 1
1 638 . 11 1 1 A 67 67 ILE HA H 67 3.894 4.162 -0.268 1
1 648 . 11 1 1 A 67 67 ILE CA C 67 62.065 61.502 0.563 1
1 649 . 11 1 1 A 67 67 ILE CB C 67 37.130 38.744 -1.614 1
1 653 . 11 1 1 A 67 67 ILE N N 67 111.614 116.605 -4.991 1
1 654 . 11 1 1 A 68 68 LYS H H 68 9.182 8.940 0.242 1
1 655 . 11 1 1 A 68 68 LYS HA H 68 4.241 3.930 0.311 1
1 664 . 11 1 1 A 68 68 LYS CA C 68 60.042 59.543 0.499 1
1 665 . 11 1 1 A 68 68 LYS CB C 68 33.366 32.214 1.152 1
1 669 . 11 1 1 A 68 68 LYS N N 68 125.685 123.504 2.181 1
1 670 . 11 1 1 A 69 69 GLY H H 69 9.653 8.306 1.347 1
1 671 . 11 1 1 A 69 69 GLY HA2 H 69 3.595 3.809 -0.214 1
1 672 . 11 1 1 A 69 69 GLY HA3 H 69 3.971 3.816 0.155 1
1 673 . 11 1 1 A 69 69 GLY CA C 69 47.597 47.352 0.245 1
1 674 . 11 1 1 A 69 69 GLY N N 69 102.438 106.754 -4.316 1
1 675 . 11 1 1 A 70 70 TRP H H 70 7.745 7.817 -0.072 1
1 676 . 11 1 1 A 70 70 TRP HA H 70 4.152 4.551 -0.399 1
1 684 . 11 1 1 A 70 70 TRP CA C 70 60.737 60.178 0.559 1
1 685 . 11 1 1 A 70 70 TRP CB C 70 29.185 28.592 0.593 1
1 686 . 11 1 1 A 70 70 TRP N N 70 120.118 121.511 -1.393 1
1 687 . 11 1 1 A 71 71 ASP H H 71 7.058 8.365 -1.307 1
1 688 . 11 1 1 A 71 71 ASP HA H 71 4.878 4.394 0.484 1
1 691 . 11 1 1 A 71 71 ASP CA C 71 57.165 57.726 -0.561 1
1 692 . 11 1 1 A 71 71 ASP CB C 71 40.749 42.135 -1.386 1
1 693 . 11 1 1 A 71 71 ASP N N 71 120.287 119.462 0.825 1
1 694 . 11 1 1 A 72 72 GLU H H 72 7.856 8.480 -0.624 1
1 695 . 11 1 1 A 72 72 GLU HA H 72 4.120 4.016 0.104 1
1 700 . 11 1 1 A 72 72 GLU CA C 72 58.236 59.432 -1.196 1
1 701 . 11 1 1 A 72 72 GLU CB C 72 30.409 29.226 1.183 1
1 703 . 11 1 1 A 72 72 GLU N N 72 114.126 119.223 -5.097 1
1 704 . 11 1 1 A 73 73 GLY H H 73 7.732 7.967 -0.235 1
1 705 . 11 1 1 A 73 73 GLY HA2 H 73 3.565 3.514 0.051 1
1 706 . 11 1 1 A 73 73 GLY HA3 H 73 3.565 3.540 0.025 1
1 707 . 11 1 1 A 73 73 GLY CA C 73 47.427 47.254 0.173 1
1 708 . 11 1 1 A 73 73 GLY N N 73 104.848 107.821 -2.973 1
1 709 . 11 1 1 A 74 74 VAL H H 74 8.138 8.494 -0.356 1
1 710 . 11 1 1 A 74 74 VAL HA H 74 3.630 3.740 -0.110 1
1 718 . 11 1 1 A 74 74 VAL CA C 74 63.679 65.677 -1.998 1
1 719 . 11 1 1 A 74 74 VAL CB C 74 31.206 31.623 -0.417 1
1 722 . 11 1 1 A 74 74 VAL N N 74 117.660 121.886 -4.226 1
1 723 . 11 1 1 A 75 75 GLN H H 75 6.431 8.078 -1.647 1
1 724 . 11 1 1 A 75 75 GLN HA H 75 3.598 4.241 -0.643 1
1 731 . 11 1 1 A 75 75 GLN CA C 75 58.343 55.330 3.013 1
1 732 . 11 1 1 A 75 75 GLN CB C 75 28.747 28.130 0.617 1
1 734 . 11 1 1 A 75 75 GLN N N 75 116.376 116.587 -0.211 1
1 736 . 11 1 1 A 76 76 GLY H H 76 8.577 7.580 0.997 1
1 737 . 11 1 1 A 76 76 GLY HA2 H 76 3.647 4.036 -0.389 1
1 738 . 11 1 1 A 76 76 GLY HA3 H 76 4.510 4.045 0.465 1
1 739 . 11 1 1 A 76 76 GLY CA C 76 45.092 45.680 -0.588 1
1 740 . 11 1 1 A 76 76 GLY N N 76 111.539 108.299 3.240 1
1 741 . 11 1 1 A 77 77 MET H H 77 7.609 7.640 -0.031 1
1 742 . 11 1 1 A 77 77 MET HA H 77 3.948 4.388 -0.440 1
1 747 . 11 1 1 A 77 77 MET CA C 77 58.260 55.904 2.356 1
1 748 . 11 1 1 A 77 77 MET CB C 77 34.641 33.203 1.438 1
1 750 . 11 1 1 A 77 77 MET N N 77 119.140 119.558 -0.418 1
1 751 . 11 1 1 A 78 78 LYS H H 78 8.348 8.870 -0.522 1
1 752 . 11 1 1 A 78 78 LYS HA H 78 5.015 5.093 -0.078 1
1 761 . 11 1 1 A 78 78 LYS CA C 78 54.136 54.288 -0.152 1
1 762 . 11 1 1 A 78 78 LYS CB C 78 34.944 35.749 -0.805 1
1 766 . 11 1 1 A 78 78 LYS N N 78 119.308 119.791 -0.483 1
1 767 . 11 1 1 A 79 79 VAL H H 79 8.622 8.933 -0.311 1
1 768 . 11 1 1 A 79 79 VAL HA H 79 3.160 3.471 -0.311 1
1 776 . 11 1 1 A 79 79 VAL CA C 79 66.585 65.487 1.098 1
1 777 . 11 1 1 A 79 79 VAL CB C 79 31.690 31.411 0.279 1
1 780 . 11 1 1 A 79 79 VAL N N 79 123.215 122.162 1.053 1
1 781 . 11 1 1 A 80 80 GLY H H 80 8.623 8.791 -0.168 1
1 782 . 11 1 1 A 80 80 GLY HA2 H 80 3.901 4.027 -0.126 1
1 783 . 11 1 1 A 80 80 GLY HA3 H 80 4.654 4.032 0.622 1
1 784 . 11 1 1 A 80 80 GLY CA C 80 44.457 45.117 -0.660 1
1 785 . 11 1 1 A 80 80 GLY N N 80 115.910 114.735 1.175 1
1 786 . 11 1 1 A 81 81 GLY H H 81 9.283 8.364 0.919 1
1 787 . 11 1 1 A 81 81 GLY HA2 H 81 3.574 3.977 -0.403 1
1 788 . 11 1 1 A 81 81 GLY HA3 H 81 3.916 3.983 -0.067 1
1 789 . 11 1 1 A 81 81 GLY CA C 81 45.310 44.962 0.348 1
1 790 . 11 1 1 A 81 81 GLY N N 81 111.030 108.094 2.936 1
1 791 . 11 1 1 A 82 82 VAL H H 82 8.403 9.005 -0.602 1
1 792 . 11 1 1 A 82 82 VAL HA H 82 5.141 5.040 0.101 1
1 800 . 11 1 1 A 82 82 VAL CA C 82 61.633 61.189 0.444 1
1 801 . 11 1 1 A 82 82 VAL CB C 82 34.572 34.163 0.409 1
1 804 . 11 1 1 A 82 82 VAL N N 82 119.626 125.582 -5.956 1
1 805 . 11 1 1 A 83 83 ARG H H 83 9.383 8.632 0.751 1
1 806 . 11 1 1 A 83 83 ARG HA H 83 5.354 4.897 0.457 1
1 813 . 11 1 1 A 83 83 ARG CA C 83 54.577 54.275 0.302 1
1 814 . 11 1 1 A 83 83 ARG CB C 83 35.933 34.498 1.435 1
1 817 . 11 1 1 A 83 83 ARG N N 83 130.545 125.658 4.887 1
1 818 . 11 1 1 A 84 84 ARG H H 84 9.618 8.880 0.738 1
1 819 . 11 1 1 A 84 84 ARG HA H 84 5.650 4.643 1.007 1
1 826 . 11 1 1 A 84 84 ARG CA C 84 54.383 55.607 -1.224 1
1 827 . 11 1 1 A 84 84 ARG CB C 84 32.969 31.485 1.484 1
1 830 . 11 1 1 A 84 84 ARG N N 84 127.552 123.511 4.041 1
1 831 . 11 1 1 A 85 85 LEU H H 85 10.121 9.274 0.847 1
1 832 . 11 1 1 A 85 85 LEU HA H 85 5.232 5.482 -0.250 1
1 842 . 11 1 1 A 85 85 LEU CA C 85 53.442 53.528 -0.086 1
1 843 . 11 1 1 A 85 85 LEU CB C 85 45.431 43.238 2.193 1
1 847 . 11 1 1 A 85 85 LEU N N 85 128.946 129.731 -0.785 1
1 848 . 11 1 1 A 86 86 THR H H 86 9.594 9.117 0.477 1
1 849 . 11 1 1 A 86 86 THR HA H 86 5.081 4.783 0.298 1
1 854 . 11 1 1 A 86 86 THR CA C 86 63.525 62.465 1.060 1
1 855 . 11 1 1 A 86 86 THR CB C 86 68.690 69.510 -0.820 1
1 857 . 11 1 1 A 86 86 THR N N 86 121.842 120.303 1.539 1
1 858 . 11 1 1 A 87 87 ILE H H 87 10.109 8.958 1.151 1
1 859 . 11 1 1 A 87 87 ILE HA H 87 4.539 4.737 -0.198 1
1 869 . 11 1 1 A 87 87 ILE CA C 87 58.954 58.261 0.693 1
1 870 . 11 1 1 A 87 87 ILE CB C 87 40.704 38.565 2.139 1
1 874 . 11 1 1 A 87 87 ILE N N 87 129.512 128.256 1.256 1
1 875 . 11 1 1 A 88 88 PRO HA H 88 4.981 4.698 0.283 1
1 882 . 11 1 1 A 88 88 PRO CA C 88 61.675 61.834 -0.159 1
1 883 . 11 1 1 A 88 88 PRO CB C 88 30.917 32.620 -1.703 1
1 886 . 11 1 1 A 89 89 PRO HA H 89 4.439 4.231 0.208 1
1 893 . 11 1 1 A 89 89 PRO CA C 89 65.384 65.277 0.107 1
1 894 . 11 1 1 A 89 89 PRO CB C 89 30.913 32.069 -1.156 1
1 897 . 11 1 1 A 90 90 GLN H H 90 9.574 8.892 0.682 1
1 898 . 11 1 1 A 90 90 GLN HA H 90 4.296 4.178 0.118 1
1 905 . 11 1 1 A 90 90 GLN CA C 90 58.441 57.485 0.956 1
1 906 . 11 1 1 A 90 90 GLN CB C 90 26.402 27.375 -0.973 1
1 908 . 11 1 1 A 90 90 GLN N N 90 118.710 115.503 3.207 1
1 910 . 11 1 1 A 91 91 LEU H H 91 7.976 7.289 0.687 1
1 911 . 11 1 1 A 91 91 LEU HA H 91 4.636 4.566 0.070 1
1 921 . 11 1 1 A 91 91 LEU CA C 91 53.625 54.340 -0.715 1
1 922 . 11 1 1 A 91 91 LEU CB C 91 42.819 43.308 -0.489 1
1 926 . 11 1 1 A 91 91 LEU N N 91 119.302 118.664 0.638 1
1 927 . 11 1 1 A 92 92 GLY H H 92 7.717 8.113 -0.396 1
1 928 . 11 1 1 A 92 92 GLY HA2 H 92 3.258 3.938 -0.680 1
1 929 . 11 1 1 A 92 92 GLY HA3 H 92 4.121 4.026 0.095 1
1 930 . 11 1 1 A 92 92 GLY CA C 92 45.183 45.229 -0.046 1
1 931 . 11 1 1 A 92 92 GLY N N 92 110.415 108.155 2.260 1
1 932 . 11 1 1 A 93 93 TYR H H 93 9.662 8.179 1.483 1
1 933 . 11 1 1 A 93 93 TYR HA H 93 4.513 4.318 0.195 1
1 940 . 11 1 1 A 93 93 TYR CA C 93 58.603 61.263 -2.660 1
1 941 . 11 1 1 A 93 93 TYR CB C 93 37.762 39.039 -1.277 1
1 942 . 11 1 1 A 93 93 TYR N N 93 126.998 122.246 4.752 1
1 943 . 11 1 1 A 94 94 GLY H H 94 8.467 7.904 0.563 1
1 944 . 11 1 1 A 94 94 GLY HA2 H 94 3.633 4.115 -0.482 1
1 945 . 11 1 1 A 94 94 GLY HA3 H 94 3.888 4.124 -0.236 1
1 946 . 11 1 1 A 94 94 GLY CA C 94 47.023 43.656 3.367 1
1 947 . 11 1 1 A 94 94 GLY N N 94 108.486 105.951 2.535 1
1 948 . 11 1 1 A 95 95 ALA H H 95 7.636 8.550 -0.914 1
1 949 . 11 1 1 A 95 95 ALA HA H 95 4.151 4.235 -0.084 1
1 953 . 11 1 1 A 95 95 ALA CA C 95 53.326 53.009 0.317 1
1 954 . 11 1 1 A 95 95 ALA CB C 95 18.831 18.888 -0.057 1
1 955 . 11 1 1 A 96 96 ARG H H 96 7.910 7.868 0.042 1
1 956 . 11 1 1 A 96 96 ARG HA H 96 4.227 4.292 -0.065 1
1 963 . 11 1 1 A 96 96 ARG CA C 96 57.514 57.522 -0.008 1
1 964 . 11 1 1 A 96 96 ARG CB C 96 31.353 31.202 0.151 1
1 967 . 11 1 1 A 96 96 ARG N N 96 115.669 118.121 -2.452 1
1 968 . 11 1 1 A 97 97 GLY H H 97 6.917 7.876 -0.959 1
1 969 . 11 1 1 A 97 97 GLY HA2 H 97 3.272 4.035 -0.763 1
1 970 . 11 1 1 A 97 97 GLY HA3 H 97 3.908 4.060 -0.152 1
1 971 . 11 1 1 A 97 97 GLY CA C 97 44.693 44.708 -0.015 1
1 972 . 11 1 1 A 97 97 GLY N N 97 103.795 107.259 -3.464 1
1 973 . 11 1 1 A 98 98 ALA H H 98 8.187 8.313 -0.126 1
1 974 . 11 1 1 A 98 98 ALA HA H 98 4.287 4.347 -0.060 1
1 978 . 11 1 1 A 98 98 ALA CA C 98 52.717 53.106 -0.389 1
1 979 . 11 1 1 A 98 98 ALA CB C 98 20.563 19.734 0.829 1
1 980 . 11 1 1 A 98 98 ALA N N 98 118.770 119.755 -0.985 1
1 981 . 11 1 1 A 99 99 GLY H H 99 8.904 8.102 0.802 1
1 982 . 11 1 1 A 99 99 GLY HA2 H 99 3.670 4.103 -0.433 1
1 983 . 11 1 1 A 99 99 GLY HA3 H 99 3.854 4.115 -0.261 1
1 984 . 11 1 1 A 99 99 GLY CA C 99 46.848 44.482 2.366 1
1 985 . 11 1 1 A 99 99 GLY N N 99 109.717 106.791 2.926 1
1 986 . 11 1 1 A 100 100 GLY H H 100 8.759 8.704 0.055 1
1 987 . 11 1 1 A 100 100 GLY HA2 H 100 3.719 3.788 -0.069 1
1 988 . 11 1 1 A 100 100 GLY HA3 H 100 4.041 3.789 0.252 1
1 989 . 11 1 1 A 100 100 GLY CA C 100 45.655 47.020 -1.365 1
1 990 . 11 1 1 A 100 100 GLY N N 100 110.895 109.605 1.290 1
1 991 . 11 1 1 A 101 101 VAL H H 101 7.631 7.505 0.126 1
1 992 . 11 1 1 A 101 101 VAL HA H 101 4.226 4.167 0.059 1
1 1000 . 11 1 1 A 101 101 VAL CA C 101 62.518 60.621 1.897 1
1 1001 . 11 1 1 A 101 101 VAL CB C 101 34.660 31.494 3.166 1
1 1004 . 11 1 1 A 101 101 VAL N N 101 115.165 116.316 -1.151 1
1 1005 . 11 1 1 A 102 102 ILE H H 102 7.686 7.484 0.202 1
1 1006 . 11 1 1 A 102 102 ILE HA H 102 4.351 4.633 -0.282 1
1 1016 . 11 1 1 A 102 102 ILE CA C 102 57.498 58.166 -0.668 1
1 1017 . 11 1 1 A 102 102 ILE CB C 102 38.189 39.995 -1.806 1
1 1021 . 11 1 1 A 102 102 ILE N N 102 120.043 122.828 -2.785 1
1 1022 . 11 1 1 A 103 103 PRO HA H 103 4.727 4.717 0.010 1
1 1029 . 11 1 1 A 103 103 PRO CA C 103 61.614 61.699 -0.085 1
1 1030 . 11 1 1 A 103 103 PRO CB C 103 31.055 32.638 -1.583 1
1 1033 . 11 1 1 A 104 104 PRO HA H 104 3.778 4.446 -0.668 1
1 1040 . 11 1 1 A 104 104 PRO CA C 104 63.599 64.731 -1.132 1
1 1041 . 11 1 1 A 104 104 PRO CB C 104 33.183 31.710 1.473 1
1 1044 . 11 1 1 A 105 105 ASN H H 105 8.581 8.604 -0.023 1
1 1045 . 11 1 1 A 105 105 ASN HA H 105 3.928 4.824 -0.896 1
1 1050 . 11 1 1 A 105 105 ASN CA C 105 54.447 52.389 2.058 1
1 1051 . 11 1 1 A 105 105 ASN CB C 105 37.280 38.586 -1.306 1
1 1052 . 11 1 1 A 105 105 ASN N N 105 117.269 114.272 2.997 1
1 1054 . 11 1 1 A 106 106 ALA H H 106 7.637 7.171 0.466 1
1 1055 . 11 1 1 A 106 106 ALA HA H 106 4.456 4.354 0.102 1
1 1059 . 11 1 1 A 106 106 ALA CA C 106 52.493 52.347 0.146 1
1 1060 . 11 1 1 A 106 106 ALA CB C 106 20.938 19.587 1.351 1
1 1061 . 11 1 1 A 106 106 ALA N N 106 121.257 122.741 -1.484 1
1 1062 . 11 1 1 A 107 107 THR H H 107 8.492 8.541 -0.049 1
1 1063 . 11 1 1 A 107 107 THR HA H 107 4.781 5.056 -0.275 1
1 1068 . 11 1 1 A 107 107 THR CA C 107 63.319 61.671 1.648 1
1 1069 . 11 1 1 A 107 107 THR CB C 107 69.430 71.229 -1.799 1
1 1071 . 11 1 1 A 107 107 THR N N 107 121.742 116.382 5.360 1
1 1072 . 11 1 1 A 108 108 LEU H H 108 8.900 8.789 0.111 1
1 1073 . 11 1 1 A 108 108 LEU HA H 108 5.132 5.237 -0.105 1
1 1083 . 11 1 1 A 108 108 LEU CA C 108 52.950 53.663 -0.713 1
1 1084 . 11 1 1 A 108 108 LEU CB C 108 46.730 45.056 1.674 1
1 1088 . 11 1 1 A 108 108 LEU N N 108 125.279 125.253 0.026 1
1 1089 . 11 1 1 A 109 109 VAL H H 109 8.933 8.921 0.012 1
1 1090 . 11 1 1 A 109 109 VAL HA H 109 5.532 4.900 0.632 1
1 1098 . 11 1 1 A 109 109 VAL CA C 109 60.793 61.522 -0.729 1
1 1099 . 11 1 1 A 109 109 VAL CB C 109 34.138 33.343 0.795 1
1 1102 . 11 1 1 A 109 109 VAL N N 109 122.496 125.235 -2.739 1
1 1103 . 11 1 1 A 110 110 PHE H H 110 9.737 9.092 0.645 1
1 1104 . 11 1 1 A 110 110 PHE HA H 110 6.457 5.150 1.307 1
1 1112 . 11 1 1 A 110 110 PHE CA C 110 55.265 56.100 -0.835 1
1 1113 . 11 1 1 A 110 110 PHE CB C 110 44.818 43.149 1.669 1
1 1114 . 11 1 1 A 110 110 PHE N N 110 121.114 123.651 -2.537 1
1 1115 . 11 1 1 A 111 111 GLU H H 111 9.223 8.651 0.572 1
1 1116 . 11 1 1 A 111 111 GLU HA H 111 5.202 4.524 0.678 1
1 1121 . 11 1 1 A 111 111 GLU CA C 111 56.709 55.353 1.356 1
1 1122 . 11 1 1 A 111 111 GLU CB C 111 32.338 30.212 2.126 1
1 1124 . 11 1 1 A 111 111 GLU N N 111 122.210 123.436 -1.226 1
1 1125 . 11 1 1 A 112 112 VAL H H 112 9.269 8.562 0.707 1
1 1126 . 11 1 1 A 112 112 VAL HA H 112 4.796 4.673 0.123 1
1 1134 . 11 1 1 A 112 112 VAL CA C 112 61.127 61.495 -0.368 1
1 1135 . 11 1 1 A 112 112 VAL CB C 112 34.634 32.902 1.732 1
1 1136 . 11 1 1 A 112 112 VAL N N 112 126.195 127.360 -1.165 1
1 1137 . 11 1 1 A 113 113 GLU H H 113 9.545 9.072 0.473 1
1 1138 . 11 1 1 A 113 113 GLU HA H 113 5.483 5.309 0.174 1
1 1143 . 11 1 1 A 113 113 GLU CA C 113 53.159 54.582 -1.423 1
1 1144 . 11 1 1 A 113 113 GLU CB C 113 32.657 32.167 0.490 1
1 1146 . 11 1 1 A 113 113 GLU N N 113 128.111 124.254 3.857 1
1 1147 . 11 1 1 A 114 114 LEU H H 114 8.261 8.794 -0.533 1
1 1148 . 11 1 1 A 114 114 LEU HA H 114 4.634 4.480 0.154 1
1 1158 . 11 1 1 A 114 114 LEU CA C 114 55.217 55.693 -0.476 1
1 1159 . 11 1 1 A 114 114 LEU CB C 114 41.826 42.663 -0.837 1
1 1163 . 11 1 1 A 114 114 LEU N N 114 126.273 127.210 -0.937 1
1 1164 . 11 1 1 A 115 115 LEU H H 115 9.258 8.934 0.324 1
1 1165 . 11 1 1 A 115 115 LEU HA H 115 4.453 4.454 -0.001 1
1 1175 . 11 1 1 A 115 115 LEU CA C 115 55.791 56.066 -0.275 1
1 1176 . 11 1 1 A 115 115 LEU CB C 115 42.897 42.673 0.224 1
1 1180 . 11 1 1 A 115 115 LEU N N 115 130.031 128.344 1.687 1
1 1181 . 11 1 1 A 116 116 ASP H H 116 7.748 7.328 0.420 1
1 1182 . 11 1 1 A 116 116 ASP HA H 116 4.672 4.946 -0.274 1
1 1185 . 11 1 1 A 116 116 ASP CA C 116 54.385 53.506 0.879 1
1 1186 . 11 1 1 A 116 116 ASP CB C 116 43.828 43.953 -0.125 1
1 1187 . 11 1 1 A 116 116 ASP N N 116 115.338 113.517 1.821 1
1 1 . 12 1 1 A 3 3 GLY H H 3 8.684 7.520 1.164 1
1 2 . 12 1 1 A 3 3 GLY HA2 H 3 3.959 4.032 -0.073 1
1 3 . 12 1 1 A 3 3 GLY HA3 H 3 3.959 4.033 -0.074 1
1 4 . 12 1 1 A 3 3 GLY N N 3 110.167 102.574 7.593 1
1 5 . 12 1 1 A 4 4 SER H H 4 8.315 8.826 -0.511 1
1 6 . 12 1 1 A 4 4 SER HA H 4 4.468 4.102 0.366 1
1 9 . 12 1 1 A 4 4 SER CA C 4 58.355 58.956 -0.601 1
1 10 . 12 1 1 A 4 4 SER N N 4 115.851 115.223 0.628 1
1 11 . 12 1 1 A 5 5 MET H H 5 8.640 7.852 0.788 1
1 12 . 12 1 1 A 5 5 MET HA H 5 4.554 4.555 -0.001 1
1 17 . 12 1 1 A 5 5 MET CA C 5 55.754 54.185 1.569 1
1 18 . 12 1 1 A 5 5 MET CB C 5 32.870 30.938 1.932 1
1 20 . 12 1 1 A 5 5 MET N N 5 122.413 120.232 2.181 1
1 21 . 12 1 1 A 6 6 THR H H 6 8.265 7.847 0.418 1
1 22 . 12 1 1 A 6 6 THR HA H 6 4.296 4.407 -0.111 1
1 27 . 12 1 1 A 6 6 THR CA C 6 62.224 61.105 1.119 1
1 28 . 12 1 1 A 6 6 THR CB C 6 69.806 68.075 1.731 1
1 30 . 12 1 1 A 6 6 THR N N 6 116.270 115.295 0.975 1
1 31 . 12 1 1 A 7 7 VAL H H 7 8.068 8.129 -0.061 1
1 32 . 12 1 1 A 7 7 VAL HA H 7 4.200 4.577 -0.377 1
1 40 . 12 1 1 A 7 7 VAL CA C 7 62.021 60.496 1.525 1
1 41 . 12 1 1 A 7 7 VAL CB C 7 32.773 34.773 -2.000 1
1 44 . 12 1 1 A 7 7 VAL N N 7 124.632 124.663 -0.031 1
1 45 . 12 1 1 A 8 8 VAL H H 8 8.985 8.104 0.881 1
1 46 . 12 1 1 A 8 8 VAL HA H 8 3.872 4.176 -0.304 1
1 54 . 12 1 1 A 8 8 VAL CA C 8 61.848 62.844 -0.996 1
1 55 . 12 1 1 A 8 8 VAL CB C 8 33.157 31.302 1.855 1
1 58 . 12 1 1 A 8 8 VAL N N 8 132.503 128.078 4.425 1
1 59 . 12 1 1 A 9 9 THR H H 9 8.213 8.907 -0.694 1
1 60 . 12 1 1 A 9 9 THR HA H 9 5.250 4.989 0.261 1
1 65 . 12 1 1 A 9 9 THR CA C 9 61.040 61.941 -0.901 1
1 66 . 12 1 1 A 9 9 THR CB C 9 69.773 70.490 -0.717 1
1 68 . 12 1 1 A 9 9 THR N N 9 121.386 122.712 -1.326 1
1 69 . 12 1 1 A 10 10 THR H H 10 9.318 9.206 0.112 1
1 70 . 12 1 1 A 10 10 THR HA H 10 4.693 4.786 -0.093 1
1 75 . 12 1 1 A 10 10 THR CA C 10 60.077 60.568 -0.491 1
1 76 . 12 1 1 A 10 10 THR CB C 10 70.131 71.116 -0.985 1
1 78 . 12 1 1 A 10 10 THR N N 10 119.882 116.834 3.048 1
1 79 . 12 1 1 A 11 11 GLU H H 11 9.051 8.716 0.335 1
1 80 . 12 1 1 A 11 11 GLU HA H 11 4.028 4.187 -0.159 1
1 85 . 12 1 1 A 11 11 GLU CA C 11 59.072 58.811 0.261 1
1 86 . 12 1 1 A 11 11 GLU CB C 11 29.516 29.709 -0.193 1
1 88 . 12 1 1 A 11 11 GLU N N 11 120.586 120.032 0.554 1
1 89 . 12 1 1 A 12 12 SER H H 12 8.445 7.256 1.189 1
1 90 . 12 1 1 A 12 12 SER HA H 12 4.302 4.573 -0.271 1
1 93 . 12 1 1 A 12 12 SER CA C 12 58.483 58.687 -0.204 1
1 94 . 12 1 1 A 12 12 SER CB C 12 63.034 63.551 -0.517 1
1 95 . 12 1 1 A 12 12 SER N N 12 114.574 112.262 2.312 1
1 96 . 12 1 1 A 13 13 GLY H H 13 7.798 8.254 -0.456 1
1 97 . 12 1 1 A 13 13 GLY HA2 H 13 3.425 3.985 -0.560 1
1 98 . 12 1 1 A 13 13 GLY HA3 H 13 4.401 3.986 0.415 1
1 99 . 12 1 1 A 13 13 GLY CA C 13 44.276 45.211 -0.935 1
1 100 . 12 1 1 A 13 13 GLY N N 13 109.024 109.486 -0.462 1
1 101 . 12 1 1 A 14 14 LEU H H 14 7.501 7.868 -0.367 1
1 102 . 12 1 1 A 14 14 LEU HA H 14 3.967 4.554 -0.587 1
1 112 . 12 1 1 A 14 14 LEU CA C 14 56.343 55.809 0.534 1
1 113 . 12 1 1 A 14 14 LEU CB C 14 41.856 43.004 -1.148 1
1 117 . 12 1 1 A 14 14 LEU N N 14 123.870 123.519 0.351 1
1 118 . 12 1 1 A 15 15 LYS H H 15 7.812 8.464 -0.652 1
1 119 . 12 1 1 A 15 15 LYS HA H 15 5.942 5.236 0.706 1
1 127 . 12 1 1 A 15 15 LYS CA C 15 54.052 54.280 -0.228 1
1 128 . 12 1 1 A 15 15 LYS CB C 15 36.289 36.026 0.263 1
1 132 . 12 1 1 A 15 15 LYS N N 15 123.667 125.035 -1.368 1
1 133 . 12 1 1 A 16 16 TYR H H 16 9.289 9.313 -0.024 1
1 134 . 12 1 1 A 16 16 TYR HA H 16 5.996 5.649 0.347 1
1 141 . 12 1 1 A 16 16 TYR CA C 16 55.784 56.335 -0.551 1
1 142 . 12 1 1 A 16 16 TYR CB C 16 43.297 42.248 1.049 1
1 143 . 12 1 1 A 16 16 TYR N N 16 117.890 117.647 0.243 1
1 144 . 12 1 1 A 17 17 GLU H H 17 8.728 9.001 -0.273 1
1 145 . 12 1 1 A 17 17 GLU HA H 17 4.860 4.478 0.382 1
1 150 . 12 1 1 A 17 17 GLU CA C 17 54.072 55.603 -1.531 1
1 151 . 12 1 1 A 17 17 GLU CB C 17 35.222 33.148 2.074 1
1 152 . 12 1 1 A 17 17 GLU N N 17 118.386 120.684 -2.298 1
1 153 . 12 1 1 A 18 18 ASP H H 18 9.596 8.851 0.745 1
1 154 . 12 1 1 A 18 18 ASP HA H 18 5.296 4.637 0.659 1
1 157 . 12 1 1 A 18 18 ASP CA C 18 55.695 54.681 1.014 1
1 158 . 12 1 1 A 18 18 ASP CB C 18 40.940 41.965 -1.025 1
1 159 . 12 1 1 A 18 18 ASP N N 18 127.059 127.386 -0.327 1
1 160 . 12 1 1 A 19 19 LEU H H 19 8.609 9.083 -0.474 1
1 161 . 12 1 1 A 19 19 LEU HA H 19 4.275 4.588 -0.313 1
1 171 . 12 1 1 A 19 19 LEU CA C 19 56.923 55.877 1.046 1
1 172 . 12 1 1 A 19 19 LEU CB C 19 41.074 43.975 -2.901 1
1 176 . 12 1 1 A 19 19 LEU N N 19 128.620 125.986 2.634 1
1 177 . 12 1 1 A 20 20 THR H H 20 8.136 7.819 0.317 1
1 178 . 12 1 1 A 20 20 THR HA H 20 4.400 4.851 -0.451 1
1 183 . 12 1 1 A 20 20 THR CA C 20 61.835 61.374 0.461 1
1 184 . 12 1 1 A 20 20 THR CB C 20 72.411 71.876 0.535 1
1 186 . 12 1 1 A 20 20 THR N N 20 112.473 111.924 0.549 1
1 187 . 12 1 1 A 21 21 GLU H H 21 9.354 8.842 0.512 1
1 188 . 12 1 1 A 21 21 GLU HA H 21 4.370 4.336 0.034 1
1 193 . 12 1 1 A 21 21 GLU CA C 21 56.277 57.491 -1.214 1
1 194 . 12 1 1 A 21 21 GLU CB C 21 30.368 30.919 -0.551 1
1 196 . 12 1 1 A 21 21 GLU N N 21 130.043 127.549 2.494 1
1 197 . 12 1 1 A 22 22 GLY H H 22 9.071 8.538 0.533 1
1 198 . 12 1 1 A 22 22 GLY HA2 H 22 3.446 4.077 -0.631 1
1 199 . 12 1 1 A 22 22 GLY HA3 H 22 3.742 4.078 -0.336 1
1 200 . 12 1 1 A 22 22 GLY CA C 22 45.343 46.233 -0.890 1
1 201 . 12 1 1 A 22 22 GLY N N 22 113.930 112.304 1.626 1
1 202 . 12 1 1 A 23 23 SER H H 23 8.040 8.231 -0.191 1
1 203 . 12 1 1 A 23 23 SER HA H 23 4.671 4.147 0.524 1
1 206 . 12 1 1 A 23 23 SER CA C 23 57.488 59.132 -1.644 1
1 207 . 12 1 1 A 23 23 SER CB C 23 65.069 61.268 3.801 1
1 208 . 12 1 1 A 23 23 SER N N 23 111.747 110.877 0.870 1
1 209 . 12 1 1 A 24 24 GLY H H 24 8.418 8.208 0.210 1
1 210 . 12 1 1 A 24 24 GLY HA2 H 24 3.693 4.043 -0.350 1
1 211 . 12 1 1 A 24 24 GLY HA3 H 24 4.328 4.044 0.284 1
1 212 . 12 1 1 A 24 24 GLY CA C 24 44.138 45.634 -1.496 1
1 213 . 12 1 1 A 24 24 GLY N N 24 111.391 107.685 3.706 1
1 214 . 12 1 1 A 25 25 ALA H H 25 8.342 8.338 0.004 1
1 215 . 12 1 1 A 25 25 ALA HA H 25 4.061 4.986 -0.925 1
1 219 . 12 1 1 A 25 25 ALA CA C 25 52.551 51.095 1.456 1
1 220 . 12 1 1 A 25 25 ALA CB C 25 19.752 22.458 -2.706 1
1 221 . 12 1 1 A 25 25 ALA N N 25 123.675 123.425 0.250 1
1 222 . 12 1 1 A 26 26 GLU H H 26 8.194 8.619 -0.425 1
1 223 . 12 1 1 A 26 26 GLU HA H 26 4.498 4.578 -0.080 1
1 228 . 12 1 1 A 26 26 GLU CA C 26 55.174 56.788 -1.614 1
1 229 . 12 1 1 A 26 26 GLU CB C 26 31.906 29.976 1.930 1
1 231 . 12 1 1 A 26 26 GLU N N 26 119.186 123.624 -4.438 1
1 232 . 12 1 1 A 27 27 ALA H H 27 8.930 8.174 0.756 1
1 233 . 12 1 1 A 27 27 ALA HA H 27 4.527 4.243 0.284 1
1 237 . 12 1 1 A 27 27 ALA CA C 27 51.815 52.923 -1.108 1
1 238 . 12 1 1 A 27 27 ALA CB C 27 19.057 19.422 -0.365 1
1 239 . 12 1 1 A 27 27 ALA N N 27 127.513 127.569 -0.056 1
1 240 . 12 1 1 A 28 28 ARG H H 28 8.348 8.720 -0.372 1
1 241 . 12 1 1 A 28 28 ARG HA H 28 4.563 4.891 -0.328 1
1 246 . 12 1 1 A 28 28 ARG CA C 28 53.584 53.826 -0.242 1
1 247 . 12 1 1 A 28 28 ARG CB C 28 33.571 33.724 -0.153 1
1 250 . 12 1 1 A 28 28 ARG N N 28 124.054 119.612 4.442 1
1 251 . 12 1 1 A 29 29 ALA H H 29 8.387 8.614 -0.227 1
1 252 . 12 1 1 A 29 29 ALA HA H 29 3.594 3.912 -0.318 1
1 256 . 12 1 1 A 29 29 ALA CA C 29 53.535 53.891 -0.356 1
1 257 . 12 1 1 A 29 29 ALA CB C 29 17.781 18.408 -0.627 1
1 258 . 12 1 1 A 29 29 ALA N N 29 122.289 126.723 -4.434 1
1 259 . 12 1 1 A 30 30 GLY H H 30 9.043 9.015 0.028 1
1 260 . 12 1 1 A 30 30 GLY HA2 H 30 3.451 4.005 -0.554 1
1 261 . 12 1 1 A 30 30 GLY HA3 H 30 4.378 4.007 0.371 1
1 262 . 12 1 1 A 30 30 GLY CA C 30 44.562 45.087 -0.525 1
1 263 . 12 1 1 A 30 30 GLY N N 30 110.956 111.098 -0.142 1
1 264 . 12 1 1 A 31 31 GLN H H 31 7.620 7.639 -0.019 1
1 265 . 12 1 1 A 31 31 GLN HA H 31 4.343 4.585 -0.242 1
1 272 . 12 1 1 A 31 31 GLN CA C 31 55.410 55.233 0.177 1
1 273 . 12 1 1 A 31 31 GLN CB C 31 30.151 30.265 -0.114 1
1 275 . 12 1 1 A 31 31 GLN N N 31 119.756 118.755 1.001 1
1 277 . 12 1 1 A 32 32 THR H H 32 8.793 8.518 0.275 1
1 278 . 12 1 1 A 32 32 THR HA H 32 4.463 4.835 -0.372 1
1 283 . 12 1 1 A 32 32 THR CA C 32 63.072 62.424 0.648 1
1 284 . 12 1 1 A 32 32 THR CB C 32 68.380 70.093 -1.713 1
1 286 . 12 1 1 A 32 32 THR N N 32 119.718 118.992 0.726 1
1 287 . 12 1 1 A 33 33 VAL H H 33 8.393 8.713 -0.320 1
1 288 . 12 1 1 A 33 33 VAL HA H 33 4.712 4.936 -0.224 1
1 296 . 12 1 1 A 33 33 VAL CA C 33 58.274 59.152 -0.878 1
1 297 . 12 1 1 A 33 33 VAL CB C 33 33.309 36.226 -2.917 1
1 300 . 12 1 1 A 33 33 VAL N N 33 120.513 119.768 0.745 1
1 301 . 12 1 1 A 34 34 SER H H 34 7.865 9.156 -1.291 1
1 302 . 12 1 1 A 34 34 SER HA H 34 5.262 5.567 -0.305 1
1 305 . 12 1 1 A 34 34 SER CA C 34 56.443 56.616 -0.173 1
1 306 . 12 1 1 A 34 34 SER CB C 34 64.882 64.384 0.498 1
1 307 . 12 1 1 A 34 34 SER N N 34 113.652 117.145 -3.493 1
1 308 . 12 1 1 A 35 35 VAL H H 35 9.531 9.353 0.178 1
1 309 . 12 1 1 A 35 35 VAL HA H 35 5.715 5.217 0.498 1
1 317 . 12 1 1 A 35 35 VAL CA C 35 58.226 58.985 -0.759 1
1 318 . 12 1 1 A 35 35 VAL CB C 35 35.412 36.128 -0.716 1
1 321 . 12 1 1 A 35 35 VAL N N 35 117.985 120.268 -2.283 1
1 322 . 12 1 1 A 36 36 HIS H H 36 8.812 8.808 0.004 1
1 323 . 12 1 1 A 36 36 HIS HA H 36 5.784 5.554 0.230 1
1 328 . 12 1 1 A 36 36 HIS CA C 36 54.671 53.895 0.776 1
1 329 . 12 1 1 A 36 36 HIS CB C 36 35.786 32.178 3.608 1
1 330 . 12 1 1 A 36 36 HIS N N 36 118.227 119.904 -1.677 1
1 331 . 12 1 1 A 37 37 TYR H H 37 9.680 8.731 0.949 1
1 332 . 12 1 1 A 37 37 TYR HA H 37 6.201 5.924 0.277 1
1 339 . 12 1 1 A 37 37 TYR CA C 37 56.280 55.209 1.071 1
1 340 . 12 1 1 A 37 37 TYR CB C 37 43.791 41.438 2.353 1
1 341 . 12 1 1 A 37 37 TYR N N 37 116.878 120.083 -3.205 1
1 342 . 12 1 1 A 38 38 THR H H 38 8.478 8.674 -0.196 1
1 343 . 12 1 1 A 38 38 THR HA H 38 4.374 4.613 -0.239 1
1 348 . 12 1 1 A 38 38 THR CA C 38 62.692 60.116 2.576 1
1 349 . 12 1 1 A 38 38 THR CB C 38 71.675 70.637 1.038 1
1 351 . 12 1 1 A 38 38 THR N N 38 117.172 117.121 0.051 1
1 352 . 12 1 1 A 39 39 GLY H H 39 8.332 8.481 -0.149 1
1 353 . 12 1 1 A 39 39 GLY HA2 H 39 1.943 2.445 -0.502 1
1 354 . 12 1 1 A 39 39 GLY HA3 H 39 4.624 2.968 1.656 1
1 355 . 12 1 1 A 39 39 GLY CA C 39 44.767 44.866 -0.099 1
1 356 . 12 1 1 A 39 39 GLY N N 39 113.042 112.299 0.743 1
1 357 . 12 1 1 A 40 40 TRP H H 40 9.669 8.720 0.949 1
1 358 . 12 1 1 A 40 40 TRP HA H 40 5.499 5.778 -0.279 1
1 366 . 12 1 1 A 40 40 TRP CA C 40 57.026 56.033 0.993 1
1 367 . 12 1 1 A 40 40 TRP CB C 40 34.177 33.382 0.795 1
1 368 . 12 1 1 A 40 40 TRP N N 40 123.550 125.565 -2.015 1
1 370 . 12 1 1 A 41 41 LEU H H 41 8.699 9.160 -0.461 1
1 371 . 12 1 1 A 41 41 LEU HA H 41 5.056 4.812 0.244 1
1 381 . 12 1 1 A 41 41 LEU CA C 41 54.040 53.729 0.311 1
1 382 . 12 1 1 A 41 41 LEU CB C 41 41.981 42.965 -0.984 1
1 386 . 12 1 1 A 41 41 LEU N N 41 119.318 122.760 -3.442 1
1 387 . 12 1 1 A 42 42 THR H H 42 9.418 8.764 0.654 1
1 388 . 12 1 1 A 42 42 THR HA H 42 3.962 4.167 -0.205 1
1 393 . 12 1 1 A 42 42 THR CA C 42 65.117 64.505 0.612 1
1 394 . 12 1 1 A 42 42 THR CB C 42 68.693 68.704 -0.011 1
1 396 . 12 1 1 A 42 42 THR N N 42 112.465 115.739 -3.274 1
1 397 . 12 1 1 A 43 43 ASP H H 43 7.690 7.945 -0.255 1
1 398 . 12 1 1 A 43 43 ASP HA H 43 4.538 4.560 -0.022 1
1 401 . 12 1 1 A 43 43 ASP CA C 43 53.655 53.349 0.306 1
1 402 . 12 1 1 A 43 43 ASP CB C 43 40.109 41.385 -1.276 1
1 403 . 12 1 1 A 43 43 ASP N N 43 118.952 119.213 -0.261 1
1 404 . 12 1 1 A 44 44 GLY H H 44 8.043 7.707 0.336 1
1 405 . 12 1 1 A 44 44 GLY HA2 H 44 3.521 3.936 -0.415 1
1 406 . 12 1 1 A 44 44 GLY HA3 H 44 4.318 3.981 0.337 1
1 407 . 12 1 1 A 44 44 GLY CA C 44 44.869 44.950 -0.081 1
1 408 . 12 1 1 A 44 44 GLY N N 44 107.790 108.385 -0.595 1
1 409 . 12 1 1 A 45 45 GLN H H 45 8.355 7.986 0.369 1
1 410 . 12 1 1 A 45 45 GLN HA H 45 4.319 4.263 0.056 1
1 417 . 12 1 1 A 45 45 GLN CA C 45 56.909 55.841 1.068 1
1 418 . 12 1 1 A 45 45 GLN CB C 45 29.837 30.006 -0.169 1
1 420 . 12 1 1 A 45 45 GLN N N 45 121.541 119.688 1.853 1
1 422 . 12 1 1 A 46 46 LYS H H 46 8.915 8.519 0.396 1
1 423 . 12 1 1 A 46 46 LYS HA H 46 4.454 5.066 -0.612 1
1 432 . 12 1 1 A 46 46 LYS CA C 46 55.782 55.402 0.380 1
1 433 . 12 1 1 A 46 46 LYS CB C 46 33.097 34.332 -1.235 1
1 437 . 12 1 1 A 46 46 LYS N N 46 129.310 123.775 5.535 1
1 438 . 12 1 1 A 47 47 PHE H H 47 8.440 8.867 -0.427 1
1 439 . 12 1 1 A 47 47 PHE HA H 47 5.103 4.987 0.116 1
1 447 . 12 1 1 A 47 47 PHE CA C 47 56.272 56.647 -0.375 1
1 448 . 12 1 1 A 47 47 PHE CB C 47 41.094 40.452 0.642 1
1 449 . 12 1 1 A 47 47 PHE N N 47 122.874 122.722 0.152 1
1 450 . 12 1 1 A 48 48 ASP H H 48 6.744 7.552 -0.808 1
1 451 . 12 1 1 A 48 48 ASP HA H 48 4.790 4.856 -0.066 1
1 454 . 12 1 1 A 48 48 ASP CA C 48 54.518 54.261 0.257 1
1 455 . 12 1 1 A 48 48 ASP CB C 48 43.929 44.302 -0.373 1
1 456 . 12 1 1 A 48 48 ASP N N 48 118.152 119.571 -1.419 1
1 457 . 12 1 1 A 49 49 SER H H 49 8.122 8.505 -0.383 1
1 458 . 12 1 1 A 49 49 SER HA H 49 4.608 5.018 -0.410 1
1 461 . 12 1 1 A 49 49 SER CA C 49 56.963 56.225 0.738 1
1 462 . 12 1 1 A 49 49 SER CB C 49 64.699 65.454 -0.755 1
1 463 . 12 1 1 A 49 49 SER N N 49 117.585 119.114 -1.529 1
1 464 . 12 1 1 A 50 50 SER H H 50 8.020 8.421 -0.401 1
1 465 . 12 1 1 A 50 50 SER HA H 50 4.045 4.031 0.014 1
1 468 . 12 1 1 A 50 50 SER CA C 50 61.482 60.562 0.920 1
1 469 . 12 1 1 A 50 50 SER CB C 50 61.488 63.092 -1.604 1
1 470 . 12 1 1 A 50 50 SER N N 50 124.801 120.736 4.065 1
1 471 . 12 1 1 A 51 51 LYS H H 51 7.730 8.077 -0.347 1
1 472 . 12 1 1 A 51 51 LYS HA H 51 3.505 3.991 -0.486 1
1 481 . 12 1 1 A 51 51 LYS CA C 51 58.921 59.286 -0.365 1
1 482 . 12 1 1 A 51 51 LYS CB C 51 31.346 32.053 -0.707 1
1 486 . 12 1 1 A 51 51 LYS N N 51 124.103 120.553 3.550 1
1 487 . 12 1 1 A 52 52 ASP H H 52 7.324 7.888 -0.564 1
1 488 . 12 1 1 A 52 52 ASP HA H 52 4.284 4.353 -0.069 1
1 491 . 12 1 1 A 52 52 ASP CA C 52 56.524 56.973 -0.449 1
1 492 . 12 1 1 A 52 52 ASP CB C 52 40.201 40.664 -0.463 1
1 493 . 12 1 1 A 52 52 ASP N N 52 118.971 119.386 -0.415 1
1 494 . 12 1 1 A 53 53 ARG H H 53 6.923 7.867 -0.944 1
1 495 . 12 1 1 A 53 53 ARG HA H 53 4.461 4.514 -0.053 1
1 502 . 12 1 1 A 53 53 ARG CA C 53 55.597 56.577 -0.980 1
1 503 . 12 1 1 A 53 53 ARG CB C 53 31.289 31.460 -0.171 1
1 506 . 12 1 1 A 53 53 ARG N N 53 114.803 118.693 -3.890 1
1 507 . 12 1 1 A 54 54 ASN H H 54 7.827 8.025 -0.198 1
1 508 . 12 1 1 A 54 54 ASN HA H 54 4.352 4.316 0.036 1
1 513 . 12 1 1 A 54 54 ASN CA C 54 54.339 54.543 -0.204 1
1 514 . 12 1 1 A 54 54 ASN CB C 54 37.849 37.604 0.245 1
1 515 . 12 1 1 A 54 54 ASN N N 54 117.421 117.977 -0.556 1
1 517 . 12 1 1 A 55 55 ASP H H 55 7.580 7.796 -0.216 1
1 518 . 12 1 1 A 55 55 ASP HA H 55 5.360 5.323 0.037 1
1 521 . 12 1 1 A 55 55 ASP CA C 55 51.697 51.659 0.038 1
1 522 . 12 1 1 A 55 55 ASP CB C 55 43.377 43.162 0.215 1
1 523 . 12 1 1 A 55 55 ASP N N 55 115.802 115.085 0.717 1
1 524 . 12 1 1 A 56 56 PRO HA H 56 4.022 3.833 0.189 1
1 531 . 12 1 1 A 56 56 PRO CA C 56 63.115 62.298 0.817 1
1 532 . 12 1 1 A 56 56 PRO CB C 56 32.348 32.215 0.133 1
1 535 . 12 1 1 A 57 57 PHE H H 57 9.207 8.508 0.699 1
1 536 . 12 1 1 A 57 57 PHE HA H 57 4.874 4.965 -0.091 1
1 544 . 12 1 1 A 57 57 PHE CA C 57 57.290 57.098 0.192 1
1 545 . 12 1 1 A 57 57 PHE CB C 57 42.517 40.486 2.031 1
1 546 . 12 1 1 A 57 57 PHE N N 57 124.509 122.797 1.712 1
1 547 . 12 1 1 A 58 58 ALA H H 58 7.942 8.865 -0.923 1
1 548 . 12 1 1 A 58 58 ALA HA H 58 5.928 5.603 0.325 1
1 552 . 12 1 1 A 58 58 ALA CA C 58 49.705 50.435 -0.730 1
1 553 . 12 1 1 A 58 58 ALA CB C 58 21.621 21.717 -0.096 1
1 554 . 12 1 1 A 58 58 ALA N N 58 130.661 130.083 0.578 1
1 555 . 12 1 1 A 59 59 PHE H H 59 8.455 8.703 -0.248 1
1 556 . 12 1 1 A 59 59 PHE HA H 59 4.660 5.066 -0.406 1
1 564 . 12 1 1 A 59 59 PHE CA C 59 55.610 56.075 -0.465 1
1 565 . 12 1 1 A 59 59 PHE CB C 59 40.857 40.633 0.224 1
1 566 . 12 1 1 A 59 59 PHE N N 59 114.967 117.307 -2.340 1
1 567 . 12 1 1 A 60 60 VAL H H 60 8.168 8.781 -0.613 1
1 568 . 12 1 1 A 60 60 VAL HA H 60 4.084 4.137 -0.053 1
1 576 . 12 1 1 A 60 60 VAL CA C 60 61.907 62.099 -0.192 1
1 577 . 12 1 1 A 60 60 VAL CB C 60 31.564 32.246 -0.682 1
1 580 . 12 1 1 A 60 60 VAL N N 60 120.308 119.867 0.441 1
1 581 . 12 1 1 A 61 61 LEU H H 61 8.900 8.445 0.455 1
1 582 . 12 1 1 A 61 61 LEU HA H 61 4.248 3.972 0.276 1
1 592 . 12 1 1 A 61 61 LEU CA C 61 56.558 55.659 0.899 1
1 593 . 12 1 1 A 61 61 LEU CB C 61 41.736 42.235 -0.499 1
1 597 . 12 1 1 A 61 61 LEU N N 61 134.513 128.726 5.787 1
1 598 . 12 1 1 A 62 62 GLY H H 62 9.652 9.177 0.475 1
1 599 . 12 1 1 A 62 62 GLY HA2 H 62 3.558 3.856 -0.298 1
1 600 . 12 1 1 A 62 62 GLY HA3 H 62 4.154 3.887 0.267 1
1 601 . 12 1 1 A 62 62 GLY CA C 62 45.721 46.881 -1.160 1
1 602 . 12 1 1 A 62 62 GLY N N 62 119.352 114.357 4.995 1
1 603 . 12 1 1 A 63 63 GLY H H 63 8.338 8.311 0.027 1
1 604 . 12 1 1 A 63 63 GLY HA2 H 63 3.557 4.134 -0.577 1
1 605 . 12 1 1 A 63 63 GLY HA3 H 63 4.298 4.145 0.153 1
1 606 . 12 1 1 A 63 63 GLY CA C 63 45.442 45.684 -0.242 1
1 607 . 12 1 1 A 63 63 GLY N N 63 107.002 106.111 0.891 1
1 608 . 12 1 1 A 64 64 GLY H H 64 9.301 8.421 0.880 1
1 609 . 12 1 1 A 64 64 GLY HA2 H 64 4.057 4.236 -0.179 1
1 610 . 12 1 1 A 64 64 GLY HA3 H 64 4.057 4.334 -0.277 1
1 611 . 12 1 1 A 64 64 GLY CA C 64 46.425 45.997 0.428 1
1 612 . 12 1 1 A 64 64 GLY N N 64 112.092 108.910 3.182 1
1 613 . 12 1 1 A 65 65 MET H H 65 9.574 8.596 0.978 1
1 614 . 12 1 1 A 65 65 MET HA H 65 4.546 4.793 -0.247 1
1 619 . 12 1 1 A 65 65 MET CA C 65 55.641 54.406 1.235 1
1 620 . 12 1 1 A 65 65 MET CB C 65 33.268 32.497 0.771 1
1 622 . 12 1 1 A 65 65 MET N N 65 118.659 121.658 -2.999 1
1 623 . 12 1 1 A 66 66 VAL H H 66 6.867 8.380 -1.513 1
1 624 . 12 1 1 A 66 66 VAL HA H 66 4.454 4.687 -0.233 1
1 632 . 12 1 1 A 66 66 VAL CA C 66 57.545 58.791 -1.246 1
1 633 . 12 1 1 A 66 66 VAL CB C 66 35.736 35.654 0.082 1
1 636 . 12 1 1 A 66 66 VAL N N 66 108.649 119.061 -10.412 1
1 637 . 12 1 1 A 67 67 ILE H H 67 7.158 7.946 -0.788 1
1 638 . 12 1 1 A 67 67 ILE HA H 67 3.894 4.329 -0.435 1
1 648 . 12 1 1 A 67 67 ILE CA C 67 62.065 60.480 1.585 1
1 649 . 12 1 1 A 67 67 ILE CB C 67 37.130 39.789 -2.659 1
1 653 . 12 1 1 A 67 67 ILE N N 67 111.614 117.574 -5.960 1
1 654 . 12 1 1 A 68 68 LYS H H 68 9.182 8.936 0.246 1
1 655 . 12 1 1 A 68 68 LYS HA H 68 4.241 3.954 0.287 1
1 664 . 12 1 1 A 68 68 LYS CA C 68 60.042 59.597 0.445 1
1 665 . 12 1 1 A 68 68 LYS CB C 68 33.366 32.231 1.135 1
1 669 . 12 1 1 A 68 68 LYS N N 68 125.685 123.322 2.363 1
1 670 . 12 1 1 A 69 69 GLY H H 69 9.653 8.305 1.348 1
1 671 . 12 1 1 A 69 69 GLY HA2 H 69 3.595 3.788 -0.193 1
1 672 . 12 1 1 A 69 69 GLY HA3 H 69 3.971 3.816 0.155 1
1 673 . 12 1 1 A 69 69 GLY CA C 69 47.597 47.356 0.241 1
1 674 . 12 1 1 A 69 69 GLY N N 69 102.438 107.282 -4.844 1
1 675 . 12 1 1 A 70 70 TRP H H 70 7.745 7.916 -0.171 1
1 676 . 12 1 1 A 70 70 TRP HA H 70 4.152 4.645 -0.493 1
1 684 . 12 1 1 A 70 70 TRP CA C 70 60.737 60.336 0.401 1
1 685 . 12 1 1 A 70 70 TRP CB C 70 29.185 28.391 0.794 1
1 686 . 12 1 1 A 70 70 TRP N N 70 120.118 121.439 -1.321 1
1 687 . 12 1 1 A 71 71 ASP H H 71 7.058 8.220 -1.162 1
1 688 . 12 1 1 A 71 71 ASP HA H 71 4.878 4.274 0.604 1
1 691 . 12 1 1 A 71 71 ASP CA C 71 57.165 57.461 -0.296 1
1 692 . 12 1 1 A 71 71 ASP CB C 71 40.749 40.160 0.589 1
1 693 . 12 1 1 A 71 71 ASP N N 71 120.287 119.155 1.132 1
1 694 . 12 1 1 A 72 72 GLU H H 72 7.856 8.390 -0.534 1
1 695 . 12 1 1 A 72 72 GLU HA H 72 4.120 4.011 0.109 1
1 700 . 12 1 1 A 72 72 GLU CA C 72 58.236 59.335 -1.099 1
1 701 . 12 1 1 A 72 72 GLU CB C 72 30.409 29.186 1.223 1
1 703 . 12 1 1 A 72 72 GLU N N 72 114.126 119.595 -5.469 1
1 704 . 12 1 1 A 73 73 GLY H H 73 7.732 8.038 -0.306 1
1 705 . 12 1 1 A 73 73 GLY HA2 H 73 3.565 3.598 -0.033 1
1 706 . 12 1 1 A 73 73 GLY HA3 H 73 3.565 3.621 -0.056 1
1 707 . 12 1 1 A 73 73 GLY CA C 73 47.427 47.248 0.179 1
1 708 . 12 1 1 A 73 73 GLY N N 73 104.848 107.765 -2.917 1
1 709 . 12 1 1 A 74 74 VAL H H 74 8.138 8.692 -0.554 1
1 710 . 12 1 1 A 74 74 VAL HA H 74 3.630 3.764 -0.134 1
1 718 . 12 1 1 A 74 74 VAL CA C 74 63.679 65.798 -2.119 1
1 719 . 12 1 1 A 74 74 VAL CB C 74 31.206 31.655 -0.449 1
1 722 . 12 1 1 A 74 74 VAL N N 74 117.660 122.294 -4.634 1
1 723 . 12 1 1 A 75 75 GLN H H 75 6.431 8.255 -1.824 1
1 724 . 12 1 1 A 75 75 GLN HA H 75 3.598 4.209 -0.611 1
1 731 . 12 1 1 A 75 75 GLN CA C 75 58.343 55.786 2.557 1
1 732 . 12 1 1 A 75 75 GLN CB C 75 28.747 27.741 1.006 1
1 734 . 12 1 1 A 75 75 GLN N N 75 116.376 118.361 -1.985 1
1 736 . 12 1 1 A 76 76 GLY H H 76 8.577 7.646 0.931 1
1 737 . 12 1 1 A 76 76 GLY HA2 H 76 3.647 4.076 -0.429 1
1 738 . 12 1 1 A 76 76 GLY HA3 H 76 4.510 4.078 0.432 1
1 739 . 12 1 1 A 76 76 GLY CA C 76 45.092 45.577 -0.485 1
1 740 . 12 1 1 A 76 76 GLY N N 76 111.539 109.045 2.494 1
1 741 . 12 1 1 A 77 77 MET H H 77 7.609 7.614 -0.005 1
1 742 . 12 1 1 A 77 77 MET HA H 77 3.948 4.457 -0.509 1
1 747 . 12 1 1 A 77 77 MET CA C 77 58.260 56.408 1.852 1
1 748 . 12 1 1 A 77 77 MET CB C 77 34.641 33.579 1.062 1
1 750 . 12 1 1 A 77 77 MET N N 77 119.140 120.555 -1.415 1
1 751 . 12 1 1 A 78 78 LYS H H 78 8.348 8.851 -0.503 1
1 752 . 12 1 1 A 78 78 LYS HA H 78 5.015 5.097 -0.082 1
1 761 . 12 1 1 A 78 78 LYS CA C 78 54.136 54.193 -0.057 1
1 762 . 12 1 1 A 78 78 LYS CB C 78 34.944 35.529 -0.585 1
1 766 . 12 1 1 A 78 78 LYS N N 78 119.308 120.673 -1.365 1
1 767 . 12 1 1 A 79 79 VAL H H 79 8.622 8.968 -0.346 1
1 768 . 12 1 1 A 79 79 VAL HA H 79 3.160 3.493 -0.333 1
1 776 . 12 1 1 A 79 79 VAL CA C 79 66.585 65.445 1.140 1
1 777 . 12 1 1 A 79 79 VAL CB C 79 31.690 31.395 0.295 1
1 780 . 12 1 1 A 79 79 VAL N N 79 123.215 122.343 0.872 1
1 781 . 12 1 1 A 80 80 GLY H H 80 8.623 8.700 -0.077 1
1 782 . 12 1 1 A 80 80 GLY HA2 H 80 3.901 4.028 -0.127 1
1 783 . 12 1 1 A 80 80 GLY HA3 H 80 4.654 4.032 0.622 1
1 784 . 12 1 1 A 80 80 GLY CA C 80 44.457 45.143 -0.686 1
1 785 . 12 1 1 A 80 80 GLY N N 80 115.910 114.778 1.132 1
1 786 . 12 1 1 A 81 81 GLY H H 81 9.283 8.436 0.847 1
1 787 . 12 1 1 A 81 81 GLY HA2 H 81 3.574 4.013 -0.439 1
1 788 . 12 1 1 A 81 81 GLY HA3 H 81 3.916 4.015 -0.099 1
1 789 . 12 1 1 A 81 81 GLY CA C 81 45.310 44.766 0.544 1
1 790 . 12 1 1 A 81 81 GLY N N 81 111.030 108.140 2.890 1
1 791 . 12 1 1 A 82 82 VAL H H 82 8.403 8.866 -0.463 1
1 792 . 12 1 1 A 82 82 VAL HA H 82 5.141 4.885 0.256 1
1 800 . 12 1 1 A 82 82 VAL CA C 82 61.633 61.076 0.557 1
1 801 . 12 1 1 A 82 82 VAL CB C 82 34.572 33.723 0.849 1
1 804 . 12 1 1 A 82 82 VAL N N 82 119.626 125.099 -5.473 1
1 805 . 12 1 1 A 83 83 ARG H H 83 9.383 8.778 0.605 1
1 806 . 12 1 1 A 83 83 ARG HA H 83 5.354 4.836 0.518 1
1 813 . 12 1 1 A 83 83 ARG CA C 83 54.577 54.744 -0.167 1
1 814 . 12 1 1 A 83 83 ARG CB C 83 35.933 34.553 1.380 1
1 817 . 12 1 1 A 83 83 ARG N N 83 130.545 127.775 2.770 1
1 818 . 12 1 1 A 84 84 ARG H H 84 9.618 8.887 0.731 1
1 819 . 12 1 1 A 84 84 ARG HA H 84 5.650 5.049 0.601 1
1 826 . 12 1 1 A 84 84 ARG CA C 84 54.383 54.672 -0.289 1
1 827 . 12 1 1 A 84 84 ARG CB C 84 32.969 33.456 -0.487 1
1 830 . 12 1 1 A 84 84 ARG N N 84 127.552 123.246 4.306 1
1 831 . 12 1 1 A 85 85 LEU H H 85 10.121 8.978 1.143 1
1 832 . 12 1 1 A 85 85 LEU HA H 85 5.232 5.484 -0.252 1
1 842 . 12 1 1 A 85 85 LEU CA C 85 53.442 53.570 -0.128 1
1 843 . 12 1 1 A 85 85 LEU CB C 85 45.431 45.949 -0.518 1
1 847 . 12 1 1 A 85 85 LEU N N 85 128.946 124.160 4.786 1
1 848 . 12 1 1 A 86 86 THR H H 86 9.594 9.108 0.486 1
1 849 . 12 1 1 A 86 86 THR HA H 86 5.081 4.912 0.169 1
1 854 . 12 1 1 A 86 86 THR CA C 86 63.525 62.442 1.083 1
1 855 . 12 1 1 A 86 86 THR CB C 86 68.690 69.445 -0.755 1
1 857 . 12 1 1 A 86 86 THR N N 86 121.842 120.364 1.478 1
1 858 . 12 1 1 A 87 87 ILE H H 87 10.109 8.994 1.115 1
1 859 . 12 1 1 A 87 87 ILE HA H 87 4.539 4.716 -0.177 1
1 869 . 12 1 1 A 87 87 ILE CA C 87 58.954 57.745 1.209 1
1 870 . 12 1 1 A 87 87 ILE CB C 87 40.704 38.474 2.230 1
1 874 . 12 1 1 A 87 87 ILE N N 87 129.512 128.750 0.762 1
1 875 . 12 1 1 A 88 88 PRO HA H 88 4.981 4.705 0.276 1
1 882 . 12 1 1 A 88 88 PRO CA C 88 61.675 61.781 -0.106 1
1 883 . 12 1 1 A 88 88 PRO CB C 88 30.917 32.611 -1.694 1
1 886 . 12 1 1 A 89 89 PRO HA H 89 4.439 4.304 0.135 1
1 893 . 12 1 1 A 89 89 PRO CA C 89 65.384 65.318 0.066 1
1 894 . 12 1 1 A 89 89 PRO CB C 89 30.913 32.080 -1.167 1
1 897 . 12 1 1 A 90 90 GLN H H 90 9.574 8.899 0.675 1
1 898 . 12 1 1 A 90 90 GLN HA H 90 4.296 4.189 0.107 1
1 905 . 12 1 1 A 90 90 GLN CA C 90 58.441 57.488 0.953 1
1 906 . 12 1 1 A 90 90 GLN CB C 90 26.402 27.422 -1.020 1
1 908 . 12 1 1 A 90 90 GLN N N 90 118.710 115.512 3.198 1
1 910 . 12 1 1 A 91 91 LEU H H 91 7.976 7.381 0.595 1
1 911 . 12 1 1 A 91 91 LEU HA H 91 4.636 4.642 -0.006 1
1 921 . 12 1 1 A 91 91 LEU CA C 91 53.625 54.308 -0.683 1
1 922 . 12 1 1 A 91 91 LEU CB C 91 42.819 43.435 -0.616 1
1 926 . 12 1 1 A 91 91 LEU N N 91 119.302 118.850 0.452 1
1 927 . 12 1 1 A 92 92 GLY H H 92 7.717 7.945 -0.228 1
1 928 . 12 1 1 A 92 92 GLY HA2 H 92 3.258 4.142 -0.884 1
1 929 . 12 1 1 A 92 92 GLY HA3 H 92 4.121 4.197 -0.076 1
1 930 . 12 1 1 A 92 92 GLY CA C 92 45.183 45.738 -0.555 1
1 931 . 12 1 1 A 92 92 GLY N N 92 110.415 107.756 2.659 1
1 932 . 12 1 1 A 93 93 TYR H H 93 9.662 8.713 0.949 1
1 933 . 12 1 1 A 93 93 TYR HA H 93 4.513 4.267 0.246 1
1 940 . 12 1 1 A 93 93 TYR CA C 93 58.603 60.770 -2.167 1
1 941 . 12 1 1 A 93 93 TYR CB C 93 37.762 38.859 -1.097 1
1 942 . 12 1 1 A 93 93 TYR N N 93 126.998 122.693 4.305 1
1 943 . 12 1 1 A 94 94 GLY H H 94 8.467 7.912 0.555 1
1 944 . 12 1 1 A 94 94 GLY HA2 H 94 3.633 4.122 -0.489 1
1 945 . 12 1 1 A 94 94 GLY HA3 H 94 3.888 4.131 -0.243 1
1 946 . 12 1 1 A 94 94 GLY CA C 94 47.023 43.845 3.178 1
1 947 . 12 1 1 A 94 94 GLY N N 94 108.486 105.385 3.101 1
1 948 . 12 1 1 A 95 95 ALA H H 95 7.636 8.557 -0.921 1
1 949 . 12 1 1 A 95 95 ALA HA H 95 4.151 4.239 -0.088 1
1 953 . 12 1 1 A 95 95 ALA CA C 95 53.326 52.947 0.379 1
1 954 . 12 1 1 A 95 95 ALA CB C 95 18.831 18.884 -0.053 1
1 955 . 12 1 1 A 96 96 ARG H H 96 7.910 7.827 0.083 1
1 956 . 12 1 1 A 96 96 ARG HA H 96 4.227 4.219 0.008 1
1 963 . 12 1 1 A 96 96 ARG CA C 96 57.514 56.447 1.067 1
1 964 . 12 1 1 A 96 96 ARG CB C 96 31.353 30.377 0.976 1
1 967 . 12 1 1 A 96 96 ARG N N 96 115.669 116.402 -0.733 1
1 968 . 12 1 1 A 97 97 GLY H H 97 6.917 7.882 -0.965 1
1 969 . 12 1 1 A 97 97 GLY HA2 H 97 3.272 4.041 -0.769 1
1 970 . 12 1 1 A 97 97 GLY HA3 H 97 3.908 4.073 -0.165 1
1 971 . 12 1 1 A 97 97 GLY CA C 97 44.693 44.850 -0.157 1
1 972 . 12 1 1 A 97 97 GLY N N 97 103.795 107.419 -3.624 1
1 973 . 12 1 1 A 98 98 ALA H H 98 8.187 8.346 -0.159 1
1 974 . 12 1 1 A 98 98 ALA HA H 98 4.287 4.511 -0.224 1
1 978 . 12 1 1 A 98 98 ALA CA C 98 52.717 53.289 -0.572 1
1 979 . 12 1 1 A 98 98 ALA CB C 98 20.563 20.669 -0.106 1
1 980 . 12 1 1 A 98 98 ALA N N 98 118.770 120.086 -1.316 1
1 981 . 12 1 1 A 99 99 GLY H H 99 8.904 8.174 0.730 1
1 982 . 12 1 1 A 99 99 GLY HA2 H 99 3.670 4.153 -0.483 1
1 983 . 12 1 1 A 99 99 GLY HA3 H 99 3.854 4.153 -0.299 1
1 984 . 12 1 1 A 99 99 GLY CA C 99 46.848 44.491 2.357 1
1 985 . 12 1 1 A 99 99 GLY N N 99 109.717 105.984 3.733 1
1 986 . 12 1 1 A 100 100 GLY H H 100 8.759 8.781 -0.022 1
1 987 . 12 1 1 A 100 100 GLY HA2 H 100 3.719 3.848 -0.129 1
1 988 . 12 1 1 A 100 100 GLY HA3 H 100 4.041 3.850 0.191 1
1 989 . 12 1 1 A 100 100 GLY CA C 100 45.655 47.071 -1.416 1
1 990 . 12 1 1 A 100 100 GLY N N 100 110.895 108.675 2.220 1
1 991 . 12 1 1 A 101 101 VAL H H 101 7.631 7.482 0.149 1
1 992 . 12 1 1 A 101 101 VAL HA H 101 4.226 4.195 0.031 1
1 1000 . 12 1 1 A 101 101 VAL CA C 101 62.518 60.744 1.774 1
1 1001 . 12 1 1 A 101 101 VAL CB C 101 34.660 31.489 3.171 1
1 1004 . 12 1 1 A 101 101 VAL N N 101 115.165 116.088 -0.923 1
1 1005 . 12 1 1 A 102 102 ILE H H 102 7.686 7.500 0.186 1
1 1006 . 12 1 1 A 102 102 ILE HA H 102 4.351 4.622 -0.271 1
1 1016 . 12 1 1 A 102 102 ILE CA C 102 57.498 58.153 -0.655 1
1 1017 . 12 1 1 A 102 102 ILE CB C 102 38.189 39.806 -1.617 1
1 1021 . 12 1 1 A 102 102 ILE N N 102 120.043 122.754 -2.711 1
1 1022 . 12 1 1 A 103 103 PRO HA H 103 4.727 4.714 0.013 1
1 1029 . 12 1 1 A 103 103 PRO CA C 103 61.614 61.690 -0.076 1
1 1030 . 12 1 1 A 103 103 PRO CB C 103 31.055 32.628 -1.573 1
1 1033 . 12 1 1 A 104 104 PRO HA H 104 3.778 4.443 -0.665 1
1 1040 . 12 1 1 A 104 104 PRO CA C 104 63.599 64.701 -1.102 1
1 1041 . 12 1 1 A 104 104 PRO CB C 104 33.183 31.736 1.447 1
1 1044 . 12 1 1 A 105 105 ASN H H 105 8.581 8.224 0.357 1
1 1045 . 12 1 1 A 105 105 ASN HA H 105 3.928 5.052 -1.124 1
1 1050 . 12 1 1 A 105 105 ASN CA C 105 54.447 52.274 2.173 1
1 1051 . 12 1 1 A 105 105 ASN CB C 105 37.280 38.857 -1.577 1
1 1052 . 12 1 1 A 105 105 ASN N N 105 117.269 115.391 1.878 1
1 1054 . 12 1 1 A 106 106 ALA H H 106 7.637 7.157 0.480 1
1 1055 . 12 1 1 A 106 106 ALA HA H 106 4.456 4.312 0.144 1
1 1059 . 12 1 1 A 106 106 ALA CA C 106 52.493 52.424 0.069 1
1 1060 . 12 1 1 A 106 106 ALA CB C 106 20.938 19.487 1.451 1
1 1061 . 12 1 1 A 106 106 ALA N N 106 121.257 122.193 -0.936 1
1 1062 . 12 1 1 A 107 107 THR H H 107 8.492 8.516 -0.024 1
1 1063 . 12 1 1 A 107 107 THR HA H 107 4.781 4.874 -0.093 1
1 1068 . 12 1 1 A 107 107 THR CA C 107 63.319 62.069 1.250 1
1 1069 . 12 1 1 A 107 107 THR CB C 107 69.430 70.785 -1.355 1
1 1071 . 12 1 1 A 107 107 THR N N 107 121.742 117.738 4.004 1
1 1072 . 12 1 1 A 108 108 LEU H H 108 8.900 8.689 0.211 1
1 1073 . 12 1 1 A 108 108 LEU HA H 108 5.132 5.113 0.019 1
1 1083 . 12 1 1 A 108 108 LEU CA C 108 52.950 53.549 -0.599 1
1 1084 . 12 1 1 A 108 108 LEU CB C 108 46.730 45.486 1.244 1
1 1088 . 12 1 1 A 108 108 LEU N N 108 125.279 125.560 -0.281 1
1 1089 . 12 1 1 A 109 109 VAL H H 109 8.933 8.984 -0.051 1
1 1090 . 12 1 1 A 109 109 VAL HA H 109 5.532 4.913 0.619 1
1 1098 . 12 1 1 A 109 109 VAL CA C 109 60.793 61.407 -0.614 1
1 1099 . 12 1 1 A 109 109 VAL CB C 109 34.138 33.366 0.772 1
1 1102 . 12 1 1 A 109 109 VAL N N 109 122.496 125.226 -2.730 1
1 1103 . 12 1 1 A 110 110 PHE H H 110 9.737 9.003 0.734 1
1 1104 . 12 1 1 A 110 110 PHE HA H 110 6.457 5.125 1.332 1
1 1112 . 12 1 1 A 110 110 PHE CA C 110 55.265 56.144 -0.879 1
1 1113 . 12 1 1 A 110 110 PHE CB C 110 44.818 43.188 1.630 1
1 1114 . 12 1 1 A 110 110 PHE N N 110 121.114 123.743 -2.629 1
1 1115 . 12 1 1 A 111 111 GLU H H 111 9.223 8.898 0.325 1
1 1116 . 12 1 1 A 111 111 GLU HA H 111 5.202 4.665 0.537 1
1 1121 . 12 1 1 A 111 111 GLU CA C 111 56.709 55.182 1.527 1
1 1122 . 12 1 1 A 111 111 GLU CB C 111 32.338 31.102 1.236 1
1 1124 . 12 1 1 A 111 111 GLU N N 111 122.210 123.594 -1.384 1
1 1125 . 12 1 1 A 112 112 VAL H H 112 9.269 8.761 0.508 1
1 1126 . 12 1 1 A 112 112 VAL HA H 112 4.796 4.967 -0.171 1
1 1134 . 12 1 1 A 112 112 VAL CA C 112 61.127 61.112 0.015 1
1 1135 . 12 1 1 A 112 112 VAL CB C 112 34.634 33.770 0.864 1
1 1136 . 12 1 1 A 112 112 VAL N N 112 126.195 126.430 -0.235 1
1 1137 . 12 1 1 A 113 113 GLU H H 113 9.545 9.072 0.473 1
1 1138 . 12 1 1 A 113 113 GLU HA H 113 5.483 5.257 0.226 1
1 1143 . 12 1 1 A 113 113 GLU CA C 113 53.159 54.587 -1.428 1
1 1144 . 12 1 1 A 113 113 GLU CB C 113 32.657 32.266 0.391 1
1 1146 . 12 1 1 A 113 113 GLU N N 113 128.111 124.265 3.846 1
1 1147 . 12 1 1 A 114 114 LEU H H 114 8.261 8.709 -0.448 1
1 1148 . 12 1 1 A 114 114 LEU HA H 114 4.634 4.423 0.211 1
1 1158 . 12 1 1 A 114 114 LEU CA C 114 55.217 55.773 -0.556 1
1 1159 . 12 1 1 A 114 114 LEU CB C 114 41.826 42.532 -0.706 1
1 1163 . 12 1 1 A 114 114 LEU N N 114 126.273 127.068 -0.795 1
1 1164 . 12 1 1 A 115 115 LEU H H 115 9.258 8.910 0.348 1
1 1165 . 12 1 1 A 115 115 LEU HA H 115 4.453 4.485 -0.032 1
1 1175 . 12 1 1 A 115 115 LEU CA C 115 55.791 55.930 -0.139 1
1 1176 . 12 1 1 A 115 115 LEU CB C 115 42.897 43.020 -0.123 1
1 1180 . 12 1 1 A 115 115 LEU N N 115 130.031 128.045 1.986 1
1 1181 . 12 1 1 A 116 116 ASP H H 116 7.748 7.234 0.514 1
1 1182 . 12 1 1 A 116 116 ASP HA H 116 4.672 4.908 -0.236 1
1 1185 . 12 1 1 A 116 116 ASP CA C 116 54.385 53.933 0.452 1
1 1186 . 12 1 1 A 116 116 ASP CB C 116 43.828 43.877 -0.049 1
1 1187 . 12 1 1 A 116 116 ASP N N 116 115.338 114.522 0.816 1
1 1 . 13 1 1 A 3 3 GLY H H 3 8.684 8.762 -0.078 1
1 2 . 13 1 1 A 3 3 GLY HA2 H 3 3.959 4.051 -0.092 1
1 3 . 13 1 1 A 3 3 GLY HA3 H 3 3.959 4.053 -0.094 1
1 4 . 13 1 1 A 3 3 GLY N N 3 110.167 111.232 -1.065 1
1 5 . 13 1 1 A 4 4 SER H H 4 8.315 8.740 -0.425 1
1 6 . 13 1 1 A 4 4 SER HA H 4 4.468 4.141 0.327 1
1 9 . 13 1 1 A 4 4 SER CA C 4 58.355 58.969 -0.614 1
1 10 . 13 1 1 A 4 4 SER N N 4 115.851 121.112 -5.261 1
1 11 . 13 1 1 A 5 5 MET H H 5 8.640 8.089 0.551 1
1 12 . 13 1 1 A 5 5 MET HA H 5 4.554 4.624 -0.070 1
1 17 . 13 1 1 A 5 5 MET CA C 5 55.754 55.060 0.694 1
1 18 . 13 1 1 A 5 5 MET CB C 5 32.870 33.580 -0.710 1
1 20 . 13 1 1 A 5 5 MET N N 5 122.413 119.645 2.768 1
1 21 . 13 1 1 A 6 6 THR H H 6 8.265 8.461 -0.196 1
1 22 . 13 1 1 A 6 6 THR HA H 6 4.296 4.733 -0.437 1
1 27 . 13 1 1 A 6 6 THR CA C 6 62.224 60.234 1.990 1
1 28 . 13 1 1 A 6 6 THR CB C 6 69.806 71.482 -1.676 1
1 30 . 13 1 1 A 6 6 THR N N 6 116.270 115.271 0.999 1
1 31 . 13 1 1 A 7 7 VAL H H 7 8.068 8.261 -0.193 1
1 32 . 13 1 1 A 7 7 VAL HA H 7 4.200 4.448 -0.248 1
1 40 . 13 1 1 A 7 7 VAL CA C 7 62.021 62.325 -0.304 1
1 41 . 13 1 1 A 7 7 VAL CB C 7 32.773 32.896 -0.123 1
1 44 . 13 1 1 A 7 7 VAL N N 7 124.632 126.111 -1.479 1
1 45 . 13 1 1 A 8 8 VAL H H 8 8.985 8.328 0.657 1
1 46 . 13 1 1 A 8 8 VAL HA H 8 3.872 4.373 -0.501 1
1 54 . 13 1 1 A 8 8 VAL CA C 8 61.848 61.769 0.079 1
1 55 . 13 1 1 A 8 8 VAL CB C 8 33.157 31.842 1.315 1
1 58 . 13 1 1 A 8 8 VAL N N 8 132.503 129.421 3.082 1
1 59 . 13 1 1 A 9 9 THR H H 9 8.213 8.812 -0.599 1
1 60 . 13 1 1 A 9 9 THR HA H 9 5.250 4.993 0.257 1
1 65 . 13 1 1 A 9 9 THR CA C 9 61.040 61.825 -0.785 1
1 66 . 13 1 1 A 9 9 THR CB C 9 69.773 70.917 -1.144 1
1 68 . 13 1 1 A 9 9 THR N N 9 121.386 122.869 -1.483 1
1 69 . 13 1 1 A 10 10 THR H H 10 9.318 8.279 1.039 1
1 70 . 13 1 1 A 10 10 THR HA H 10 4.693 4.931 -0.238 1
1 75 . 13 1 1 A 10 10 THR CA C 10 60.077 59.811 0.266 1
1 76 . 13 1 1 A 10 10 THR CB C 10 70.131 71.275 -1.144 1
1 78 . 13 1 1 A 10 10 THR N N 10 119.882 114.856 5.026 1
1 79 . 13 1 1 A 11 11 GLU H H 11 9.051 8.745 0.306 1
1 80 . 13 1 1 A 11 11 GLU HA H 11 4.028 4.119 -0.091 1
1 85 . 13 1 1 A 11 11 GLU CA C 11 59.072 59.270 -0.198 1
1 86 . 13 1 1 A 11 11 GLU CB C 11 29.516 29.623 -0.107 1
1 88 . 13 1 1 A 11 11 GLU N N 11 120.586 120.445 0.141 1
1 89 . 13 1 1 A 12 12 SER H H 12 8.445 7.705 0.740 1
1 90 . 13 1 1 A 12 12 SER HA H 12 4.302 4.500 -0.198 1
1 93 . 13 1 1 A 12 12 SER CA C 12 58.483 58.792 -0.309 1
1 94 . 13 1 1 A 12 12 SER CB C 12 63.034 63.748 -0.714 1
1 95 . 13 1 1 A 12 12 SER N N 12 114.574 112.769 1.805 1
1 96 . 13 1 1 A 13 13 GLY H H 13 7.798 7.995 -0.197 1
1 97 . 13 1 1 A 13 13 GLY HA2 H 13 3.425 4.058 -0.633 1
1 98 . 13 1 1 A 13 13 GLY HA3 H 13 4.401 4.061 0.340 1
1 99 . 13 1 1 A 13 13 GLY CA C 13 44.276 45.159 -0.883 1
1 100 . 13 1 1 A 13 13 GLY N N 13 109.024 109.149 -0.125 1
1 101 . 13 1 1 A 14 14 LEU H H 14 7.501 7.852 -0.351 1
1 102 . 13 1 1 A 14 14 LEU HA H 14 3.967 4.534 -0.567 1
1 112 . 13 1 1 A 14 14 LEU CA C 14 56.343 55.611 0.732 1
1 113 . 13 1 1 A 14 14 LEU CB C 14 41.856 42.723 -0.867 1
1 117 . 13 1 1 A 14 14 LEU N N 14 123.870 123.278 0.592 1
1 118 . 13 1 1 A 15 15 LYS H H 15 7.812 8.342 -0.530 1
1 119 . 13 1 1 A 15 15 LYS HA H 15 5.942 5.096 0.846 1
1 127 . 13 1 1 A 15 15 LYS CA C 15 54.052 54.540 -0.488 1
1 128 . 13 1 1 A 15 15 LYS CB C 15 36.289 35.608 0.681 1
1 132 . 13 1 1 A 15 15 LYS N N 15 123.667 125.363 -1.696 1
1 133 . 13 1 1 A 16 16 TYR H H 16 9.289 8.940 0.349 1
1 134 . 13 1 1 A 16 16 TYR HA H 16 5.996 5.492 0.504 1
1 141 . 13 1 1 A 16 16 TYR CA C 16 55.784 56.252 -0.468 1
1 142 . 13 1 1 A 16 16 TYR CB C 16 43.297 42.098 1.199 1
1 143 . 13 1 1 A 16 16 TYR N N 16 117.890 117.697 0.193 1
1 144 . 13 1 1 A 17 17 GLU H H 17 8.728 8.889 -0.161 1
1 145 . 13 1 1 A 17 17 GLU HA H 17 4.860 4.701 0.159 1
1 150 . 13 1 1 A 17 17 GLU CA C 17 54.072 54.897 -0.825 1
1 151 . 13 1 1 A 17 17 GLU CB C 17 35.222 33.577 1.645 1
1 152 . 13 1 1 A 17 17 GLU N N 17 118.386 121.398 -3.012 1
1 153 . 13 1 1 A 18 18 ASP H H 18 9.596 8.884 0.712 1
1 154 . 13 1 1 A 18 18 ASP HA H 18 5.296 4.807 0.489 1
1 157 . 13 1 1 A 18 18 ASP CA C 18 55.695 54.528 1.167 1
1 158 . 13 1 1 A 18 18 ASP CB C 18 40.940 41.243 -0.303 1
1 159 . 13 1 1 A 18 18 ASP N N 18 127.059 126.093 0.966 1
1 160 . 13 1 1 A 19 19 LEU H H 19 8.609 9.107 -0.498 1
1 161 . 13 1 1 A 19 19 LEU HA H 19 4.275 4.584 -0.309 1
1 171 . 13 1 1 A 19 19 LEU CA C 19 56.923 55.892 1.031 1
1 172 . 13 1 1 A 19 19 LEU CB C 19 41.074 44.006 -2.932 1
1 176 . 13 1 1 A 19 19 LEU N N 19 128.620 123.228 5.392 1
1 177 . 13 1 1 A 20 20 THR H H 20 8.136 8.041 0.095 1
1 178 . 13 1 1 A 20 20 THR HA H 20 4.400 4.833 -0.433 1
1 183 . 13 1 1 A 20 20 THR CA C 20 61.835 61.627 0.208 1
1 184 . 13 1 1 A 20 20 THR CB C 20 72.411 71.771 0.640 1
1 186 . 13 1 1 A 20 20 THR N N 20 112.473 112.870 -0.397 1
1 187 . 13 1 1 A 21 21 GLU H H 21 9.354 8.858 0.496 1
1 188 . 13 1 1 A 21 21 GLU HA H 21 4.370 4.216 0.154 1
1 193 . 13 1 1 A 21 21 GLU CA C 21 56.277 57.761 -1.484 1
1 194 . 13 1 1 A 21 21 GLU CB C 21 30.368 30.929 -0.561 1
1 196 . 13 1 1 A 21 21 GLU N N 21 130.043 127.680 2.363 1
1 197 . 13 1 1 A 22 22 GLY H H 22 9.071 8.409 0.662 1
1 198 . 13 1 1 A 22 22 GLY HA2 H 22 3.446 4.227 -0.781 1
1 199 . 13 1 1 A 22 22 GLY HA3 H 22 3.742 4.229 -0.487 1
1 200 . 13 1 1 A 22 22 GLY CA C 22 45.343 45.522 -0.179 1
1 201 . 13 1 1 A 22 22 GLY N N 22 113.930 111.302 2.628 1
1 202 . 13 1 1 A 23 23 SER H H 23 8.040 8.898 -0.858 1
1 203 . 13 1 1 A 23 23 SER HA H 23 4.671 4.660 0.011 1
1 206 . 13 1 1 A 23 23 SER CA C 23 57.488 57.631 -0.143 1
1 207 . 13 1 1 A 23 23 SER CB C 23 65.069 62.410 2.659 1
1 208 . 13 1 1 A 23 23 SER N N 23 111.747 118.278 -6.531 1
1 209 . 13 1 1 A 24 24 GLY H H 24 8.418 8.267 0.151 1
1 210 . 13 1 1 A 24 24 GLY HA2 H 24 3.693 4.042 -0.349 1
1 211 . 13 1 1 A 24 24 GLY HA3 H 24 4.328 4.042 0.286 1
1 212 . 13 1 1 A 24 24 GLY CA C 24 44.138 45.201 -1.063 1
1 213 . 13 1 1 A 24 24 GLY N N 24 111.391 111.636 -0.245 1
1 214 . 13 1 1 A 25 25 ALA H H 25 8.342 8.207 0.135 1
1 215 . 13 1 1 A 25 25 ALA HA H 25 4.061 5.068 -1.007 1
1 219 . 13 1 1 A 25 25 ALA CA C 25 52.551 51.419 1.132 1
1 220 . 13 1 1 A 25 25 ALA CB C 25 19.752 22.708 -2.956 1
1 221 . 13 1 1 A 25 25 ALA N N 25 123.675 124.352 -0.677 1
1 222 . 13 1 1 A 26 26 GLU H H 26 8.194 8.519 -0.325 1
1 223 . 13 1 1 A 26 26 GLU HA H 26 4.498 4.744 -0.246 1
1 228 . 13 1 1 A 26 26 GLU CA C 26 55.174 56.407 -1.233 1
1 229 . 13 1 1 A 26 26 GLU CB C 26 31.906 30.395 1.511 1
1 231 . 13 1 1 A 26 26 GLU N N 26 119.186 122.584 -3.398 1
1 232 . 13 1 1 A 27 27 ALA H H 27 8.930 8.148 0.782 1
1 233 . 13 1 1 A 27 27 ALA HA H 27 4.527 4.219 0.308 1
1 237 . 13 1 1 A 27 27 ALA CA C 27 51.815 52.786 -0.971 1
1 238 . 13 1 1 A 27 27 ALA CB C 27 19.057 19.213 -0.156 1
1 239 . 13 1 1 A 27 27 ALA N N 27 127.513 127.431 0.082 1
1 240 . 13 1 1 A 28 28 ARG H H 28 8.348 8.687 -0.339 1
1 241 . 13 1 1 A 28 28 ARG HA H 28 4.563 4.929 -0.366 1
1 246 . 13 1 1 A 28 28 ARG CA C 28 53.584 54.224 -0.640 1
1 247 . 13 1 1 A 28 28 ARG CB C 28 33.571 33.828 -0.257 1
1 250 . 13 1 1 A 28 28 ARG N N 28 124.054 119.953 4.101 1
1 251 . 13 1 1 A 29 29 ALA H H 29 8.387 8.623 -0.236 1
1 252 . 13 1 1 A 29 29 ALA HA H 29 3.594 3.912 -0.318 1
1 256 . 13 1 1 A 29 29 ALA CA C 29 53.535 53.892 -0.357 1
1 257 . 13 1 1 A 29 29 ALA CB C 29 17.781 18.398 -0.617 1
1 258 . 13 1 1 A 29 29 ALA N N 29 122.289 126.753 -4.464 1
1 259 . 13 1 1 A 30 30 GLY H H 30 9.043 8.984 0.059 1
1 260 . 13 1 1 A 30 30 GLY HA2 H 30 3.451 3.987 -0.536 1
1 261 . 13 1 1 A 30 30 GLY HA3 H 30 4.378 3.987 0.391 1
1 262 . 13 1 1 A 30 30 GLY CA C 30 44.562 45.069 -0.507 1
1 263 . 13 1 1 A 30 30 GLY N N 30 110.956 111.103 -0.147 1
1 264 . 13 1 1 A 31 31 GLN H H 31 7.620 7.622 -0.002 1
1 265 . 13 1 1 A 31 31 GLN HA H 31 4.343 4.572 -0.229 1
1 272 . 13 1 1 A 31 31 GLN CA C 31 55.410 55.213 0.197 1
1 273 . 13 1 1 A 31 31 GLN CB C 31 30.151 30.288 -0.137 1
1 275 . 13 1 1 A 31 31 GLN N N 31 119.756 118.753 1.003 1
1 277 . 13 1 1 A 32 32 THR H H 32 8.793 8.551 0.242 1
1 278 . 13 1 1 A 32 32 THR HA H 32 4.463 4.859 -0.396 1
1 283 . 13 1 1 A 32 32 THR CA C 32 63.072 62.438 0.634 1
1 284 . 13 1 1 A 32 32 THR CB C 32 68.380 69.969 -1.589 1
1 286 . 13 1 1 A 32 32 THR N N 32 119.718 118.823 0.895 1
1 287 . 13 1 1 A 33 33 VAL H H 33 8.393 8.795 -0.402 1
1 288 . 13 1 1 A 33 33 VAL HA H 33 4.712 4.963 -0.251 1
1 296 . 13 1 1 A 33 33 VAL CA C 33 58.274 59.044 -0.770 1
1 297 . 13 1 1 A 33 33 VAL CB C 33 33.309 36.098 -2.789 1
1 300 . 13 1 1 A 33 33 VAL N N 33 120.513 119.818 0.695 1
1 301 . 13 1 1 A 34 34 SER H H 34 7.865 9.008 -1.143 1
1 302 . 13 1 1 A 34 34 SER HA H 34 5.262 5.260 0.002 1
1 305 . 13 1 1 A 34 34 SER CA C 34 56.443 56.807 -0.364 1
1 306 . 13 1 1 A 34 34 SER CB C 34 64.882 64.591 0.291 1
1 307 . 13 1 1 A 34 34 SER N N 34 113.652 117.359 -3.707 1
1 308 . 13 1 1 A 35 35 VAL H H 35 9.531 9.258 0.273 1
1 309 . 13 1 1 A 35 35 VAL HA H 35 5.715 5.197 0.518 1
1 317 . 13 1 1 A 35 35 VAL CA C 35 58.226 59.038 -0.812 1
1 318 . 13 1 1 A 35 35 VAL CB C 35 35.412 36.121 -0.709 1
1 321 . 13 1 1 A 35 35 VAL N N 35 117.985 120.434 -2.449 1
1 322 . 13 1 1 A 36 36 HIS H H 36 8.812 8.841 -0.029 1
1 323 . 13 1 1 A 36 36 HIS HA H 36 5.784 5.630 0.154 1
1 328 . 13 1 1 A 36 36 HIS CA C 36 54.671 53.891 0.780 1
1 329 . 13 1 1 A 36 36 HIS CB C 36 35.786 32.264 3.522 1
1 330 . 13 1 1 A 36 36 HIS N N 36 118.227 119.745 -1.518 1
1 331 . 13 1 1 A 37 37 TYR H H 37 9.680 8.850 0.830 1
1 332 . 13 1 1 A 37 37 TYR HA H 37 6.201 5.911 0.290 1
1 339 . 13 1 1 A 37 37 TYR CA C 37 56.280 55.310 0.970 1
1 340 . 13 1 1 A 37 37 TYR CB C 37 43.791 41.305 2.486 1
1 341 . 13 1 1 A 37 37 TYR N N 37 116.878 119.780 -2.902 1
1 342 . 13 1 1 A 38 38 THR H H 38 8.478 8.795 -0.317 1
1 343 . 13 1 1 A 38 38 THR HA H 38 4.374 4.796 -0.422 1
1 348 . 13 1 1 A 38 38 THR CA C 38 62.692 59.313 3.379 1
1 349 . 13 1 1 A 38 38 THR CB C 38 71.675 71.294 0.381 1
1 351 . 13 1 1 A 38 38 THR N N 38 117.172 117.440 -0.268 1
1 352 . 13 1 1 A 39 39 GLY H H 39 8.332 8.702 -0.370 1
1 353 . 13 1 1 A 39 39 GLY HA2 H 39 1.943 2.749 -0.806 1
1 354 . 13 1 1 A 39 39 GLY HA3 H 39 4.624 3.287 1.337 1
1 355 . 13 1 1 A 39 39 GLY CA C 39 44.767 44.033 0.734 1
1 356 . 13 1 1 A 39 39 GLY N N 39 113.042 111.593 1.449 1
1 357 . 13 1 1 A 40 40 TRP H H 40 9.669 8.772 0.897 1
1 358 . 13 1 1 A 40 40 TRP HA H 40 5.499 5.476 0.023 1
1 366 . 13 1 1 A 40 40 TRP CA C 40 57.026 56.025 1.001 1
1 367 . 13 1 1 A 40 40 TRP CB C 40 34.177 33.400 0.777 1
1 368 . 13 1 1 A 40 40 TRP N N 40 123.550 125.877 -2.327 1
1 370 . 13 1 1 A 41 41 LEU H H 41 8.699 8.927 -0.228 1
1 371 . 13 1 1 A 41 41 LEU HA H 41 5.056 4.842 0.214 1
1 381 . 13 1 1 A 41 41 LEU CA C 41 54.040 53.685 0.355 1
1 382 . 13 1 1 A 41 41 LEU CB C 41 41.981 42.956 -0.975 1
1 386 . 13 1 1 A 41 41 LEU N N 41 119.318 122.686 -3.368 1
1 387 . 13 1 1 A 42 42 THR H H 42 9.418 8.799 0.619 1
1 388 . 13 1 1 A 42 42 THR HA H 42 3.962 4.078 -0.116 1
1 393 . 13 1 1 A 42 42 THR CA C 42 65.117 64.767 0.350 1
1 394 . 13 1 1 A 42 42 THR CB C 42 68.693 68.494 0.199 1
1 396 . 13 1 1 A 42 42 THR N N 42 112.465 116.223 -3.758 1
1 397 . 13 1 1 A 43 43 ASP H H 43 7.690 7.925 -0.235 1
1 398 . 13 1 1 A 43 43 ASP HA H 43 4.538 4.661 -0.123 1
1 401 . 13 1 1 A 43 43 ASP CA C 43 53.655 54.069 -0.414 1
1 402 . 13 1 1 A 43 43 ASP CB C 43 40.109 41.603 -1.494 1
1 403 . 13 1 1 A 43 43 ASP N N 43 118.952 120.064 -1.112 1
1 404 . 13 1 1 A 44 44 GLY H H 44 8.043 8.005 0.038 1
1 405 . 13 1 1 A 44 44 GLY HA2 H 44 3.521 3.965 -0.444 1
1 406 . 13 1 1 A 44 44 GLY HA3 H 44 4.318 3.989 0.329 1
1 407 . 13 1 1 A 44 44 GLY CA C 44 44.869 44.936 -0.067 1
1 408 . 13 1 1 A 44 44 GLY N N 44 107.790 105.985 1.805 1
1 409 . 13 1 1 A 45 45 GLN H H 45 8.355 7.940 0.415 1
1 410 . 13 1 1 A 45 45 GLN HA H 45 4.319 4.474 -0.155 1
1 417 . 13 1 1 A 45 45 GLN CA C 45 56.909 54.704 2.205 1
1 418 . 13 1 1 A 45 45 GLN CB C 45 29.837 29.869 -0.032 1
1 420 . 13 1 1 A 45 45 GLN N N 45 121.541 121.314 0.227 1
1 422 . 13 1 1 A 46 46 LYS H H 46 8.915 8.583 0.332 1
1 423 . 13 1 1 A 46 46 LYS HA H 46 4.454 4.644 -0.190 1
1 432 . 13 1 1 A 46 46 LYS CA C 46 55.782 56.929 -1.147 1
1 433 . 13 1 1 A 46 46 LYS CB C 46 33.097 32.523 0.574 1
1 437 . 13 1 1 A 46 46 LYS N N 46 129.310 127.594 1.716 1
1 438 . 13 1 1 A 47 47 PHE H H 47 8.440 9.097 -0.657 1
1 439 . 13 1 1 A 47 47 PHE HA H 47 5.103 4.976 0.127 1
1 447 . 13 1 1 A 47 47 PHE CA C 47 56.272 56.790 -0.518 1
1 448 . 13 1 1 A 47 47 PHE CB C 47 41.094 40.450 0.644 1
1 449 . 13 1 1 A 47 47 PHE N N 47 122.874 122.702 0.172 1
1 450 . 13 1 1 A 48 48 ASP H H 48 6.744 7.213 -0.469 1
1 451 . 13 1 1 A 48 48 ASP HA H 48 4.790 4.799 -0.009 1
1 454 . 13 1 1 A 48 48 ASP CA C 48 54.518 53.930 0.588 1
1 455 . 13 1 1 A 48 48 ASP CB C 48 43.929 43.930 -0.001 1
1 456 . 13 1 1 A 48 48 ASP N N 48 118.152 118.894 -0.742 1
1 457 . 13 1 1 A 49 49 SER H H 49 8.122 8.420 -0.298 1
1 458 . 13 1 1 A 49 49 SER HA H 49 4.608 4.770 -0.162 1
1 461 . 13 1 1 A 49 49 SER CA C 49 56.963 56.719 0.244 1
1 462 . 13 1 1 A 49 49 SER CB C 49 64.699 66.332 -1.633 1
1 463 . 13 1 1 A 49 49 SER N N 49 117.585 115.465 2.120 1
1 464 . 13 1 1 A 50 50 SER H H 50 8.020 8.446 -0.426 1
1 465 . 13 1 1 A 50 50 SER HA H 50 4.045 3.868 0.177 1
1 468 . 13 1 1 A 50 50 SER CA C 50 61.482 60.864 0.618 1
1 469 . 13 1 1 A 50 50 SER CB C 50 61.488 62.351 -0.863 1
1 470 . 13 1 1 A 50 50 SER N N 50 124.801 119.106 5.695 1
1 471 . 13 1 1 A 51 51 LYS H H 51 7.730 8.245 -0.515 1
1 472 . 13 1 1 A 51 51 LYS HA H 51 3.505 4.106 -0.601 1
1 481 . 13 1 1 A 51 51 LYS CA C 51 58.921 58.798 0.123 1
1 482 . 13 1 1 A 51 51 LYS CB C 51 31.346 31.425 -0.079 1
1 486 . 13 1 1 A 51 51 LYS N N 51 124.103 118.847 5.256 1
1 487 . 13 1 1 A 52 52 ASP H H 52 7.324 8.070 -0.746 1
1 488 . 13 1 1 A 52 52 ASP HA H 52 4.284 4.322 -0.038 1
1 491 . 13 1 1 A 52 52 ASP CA C 52 56.524 57.723 -1.199 1
1 492 . 13 1 1 A 52 52 ASP CB C 52 40.201 42.177 -1.976 1
1 493 . 13 1 1 A 52 52 ASP N N 52 118.971 120.061 -1.090 1
1 494 . 13 1 1 A 53 53 ARG H H 53 6.923 7.422 -0.499 1
1 495 . 13 1 1 A 53 53 ARG HA H 53 4.461 4.324 0.137 1
1 502 . 13 1 1 A 53 53 ARG CA C 53 55.597 57.733 -2.136 1
1 503 . 13 1 1 A 53 53 ARG CB C 53 31.289 30.836 0.453 1
1 506 . 13 1 1 A 53 53 ARG N N 53 114.803 118.569 -3.766 1
1 507 . 13 1 1 A 54 54 ASN H H 54 7.827 8.080 -0.253 1
1 508 . 13 1 1 A 54 54 ASN HA H 54 4.352 4.355 -0.003 1
1 513 . 13 1 1 A 54 54 ASN CA C 54 54.339 54.687 -0.348 1
1 514 . 13 1 1 A 54 54 ASN CB C 54 37.849 36.588 1.261 1
1 515 . 13 1 1 A 54 54 ASN N N 54 117.421 116.478 0.943 1
1 517 . 13 1 1 A 55 55 ASP H H 55 7.580 7.879 -0.299 1
1 518 . 13 1 1 A 55 55 ASP HA H 55 5.360 5.061 0.299 1
1 521 . 13 1 1 A 55 55 ASP CA C 55 51.697 51.766 -0.069 1
1 522 . 13 1 1 A 55 55 ASP CB C 55 43.377 44.254 -0.877 1
1 523 . 13 1 1 A 55 55 ASP N N 55 115.802 117.684 -1.882 1
1 524 . 13 1 1 A 56 56 PRO HA H 56 4.022 3.538 0.484 1
1 531 . 13 1 1 A 56 56 PRO CA C 56 63.115 62.314 0.801 1
1 532 . 13 1 1 A 56 56 PRO CB C 56 32.348 32.268 0.080 1
1 535 . 13 1 1 A 57 57 PHE H H 57 9.207 8.330 0.877 1
1 536 . 13 1 1 A 57 57 PHE HA H 57 4.874 4.684 0.190 1
1 544 . 13 1 1 A 57 57 PHE CA C 57 57.290 57.379 -0.089 1
1 545 . 13 1 1 A 57 57 PHE CB C 57 42.517 39.465 3.052 1
1 546 . 13 1 1 A 57 57 PHE N N 57 124.509 123.137 1.372 1
1 547 . 13 1 1 A 58 58 ALA H H 58 7.942 8.811 -0.869 1
1 548 . 13 1 1 A 58 58 ALA HA H 58 5.928 5.544 0.384 1
1 552 . 13 1 1 A 58 58 ALA CA C 58 49.705 50.422 -0.717 1
1 553 . 13 1 1 A 58 58 ALA CB C 58 21.621 21.707 -0.086 1
1 554 . 13 1 1 A 58 58 ALA N N 58 130.661 130.153 0.508 1
1 555 . 13 1 1 A 59 59 PHE H H 59 8.455 8.632 -0.177 1
1 556 . 13 1 1 A 59 59 PHE HA H 59 4.660 5.055 -0.395 1
1 564 . 13 1 1 A 59 59 PHE CA C 59 55.610 55.971 -0.361 1
1 565 . 13 1 1 A 59 59 PHE CB C 59 40.857 40.663 0.194 1
1 566 . 13 1 1 A 59 59 PHE N N 59 114.967 117.278 -2.311 1
1 567 . 13 1 1 A 60 60 VAL H H 60 8.168 8.794 -0.626 1
1 568 . 13 1 1 A 60 60 VAL HA H 60 4.084 4.233 -0.149 1
1 576 . 13 1 1 A 60 60 VAL CA C 60 61.907 61.654 0.253 1
1 577 . 13 1 1 A 60 60 VAL CB C 60 31.564 32.777 -1.213 1
1 580 . 13 1 1 A 60 60 VAL N N 60 120.308 119.525 0.783 1
1 581 . 13 1 1 A 61 61 LEU H H 61 8.900 8.400 0.500 1
1 582 . 13 1 1 A 61 61 LEU HA H 61 4.248 3.899 0.349 1
1 592 . 13 1 1 A 61 61 LEU CA C 61 56.558 56.068 0.490 1
1 593 . 13 1 1 A 61 61 LEU CB C 61 41.736 41.936 -0.200 1
1 597 . 13 1 1 A 61 61 LEU N N 61 134.513 128.785 5.728 1
1 598 . 13 1 1 A 62 62 GLY H H 62 9.652 8.891 0.761 1
1 599 . 13 1 1 A 62 62 GLY HA2 H 62 3.558 4.079 -0.521 1
1 600 . 13 1 1 A 62 62 GLY HA3 H 62 4.154 4.102 0.052 1
1 601 . 13 1 1 A 62 62 GLY CA C 62 45.721 45.047 0.674 1
1 602 . 13 1 1 A 62 62 GLY N N 62 119.352 114.837 4.515 1
1 603 . 13 1 1 A 63 63 GLY H H 63 8.338 7.721 0.617 1
1 604 . 13 1 1 A 63 63 GLY HA2 H 63 3.557 4.149 -0.592 1
1 605 . 13 1 1 A 63 63 GLY HA3 H 63 4.298 4.155 0.143 1
1 606 . 13 1 1 A 63 63 GLY CA C 63 45.442 45.010 0.432 1
1 607 . 13 1 1 A 63 63 GLY N N 63 107.002 108.338 -1.336 1
1 608 . 13 1 1 A 64 64 GLY H H 64 9.301 8.662 0.639 1
1 609 . 13 1 1 A 64 64 GLY HA2 H 64 4.057 3.980 0.077 1
1 610 . 13 1 1 A 64 64 GLY HA3 H 64 4.057 4.046 0.011 1
1 611 . 13 1 1 A 64 64 GLY CA C 64 46.425 46.239 0.186 1
1 612 . 13 1 1 A 64 64 GLY N N 64 112.092 108.413 3.679 1
1 613 . 13 1 1 A 65 65 MET H H 65 9.574 8.468 1.106 1
1 614 . 13 1 1 A 65 65 MET HA H 65 4.546 4.059 0.487 1
1 619 . 13 1 1 A 65 65 MET CA C 65 55.641 56.554 -0.913 1
1 620 . 13 1 1 A 65 65 MET CB C 65 33.268 31.301 1.967 1
1 622 . 13 1 1 A 65 65 MET N N 65 118.659 112.701 5.958 1
1 623 . 13 1 1 A 66 66 VAL H H 66 6.867 7.683 -0.816 1
1 624 . 13 1 1 A 66 66 VAL HA H 66 4.454 4.555 -0.101 1
1 632 . 13 1 1 A 66 66 VAL CA C 66 57.545 59.167 -1.622 1
1 633 . 13 1 1 A 66 66 VAL CB C 66 35.736 34.735 1.001 1
1 636 . 13 1 1 A 66 66 VAL N N 66 108.649 113.744 -5.095 1
1 637 . 13 1 1 A 67 67 ILE H H 67 7.158 7.697 -0.539 1
1 638 . 13 1 1 A 67 67 ILE HA H 67 3.894 4.112 -0.218 1
1 648 . 13 1 1 A 67 67 ILE CA C 67 62.065 61.461 0.604 1
1 649 . 13 1 1 A 67 67 ILE CB C 67 37.130 38.665 -1.535 1
1 653 . 13 1 1 A 67 67 ILE N N 67 111.614 117.758 -6.144 1
1 654 . 13 1 1 A 68 68 LYS H H 68 9.182 8.919 0.263 1
1 655 . 13 1 1 A 68 68 LYS HA H 68 4.241 3.923 0.318 1
1 664 . 13 1 1 A 68 68 LYS CA C 68 60.042 59.530 0.512 1
1 665 . 13 1 1 A 68 68 LYS CB C 68 33.366 32.196 1.170 1
1 669 . 13 1 1 A 68 68 LYS N N 68 125.685 123.488 2.197 1
1 670 . 13 1 1 A 69 69 GLY H H 69 9.653 8.245 1.408 1
1 671 . 13 1 1 A 69 69 GLY HA2 H 69 3.595 3.823 -0.228 1
1 672 . 13 1 1 A 69 69 GLY HA3 H 69 3.971 3.825 0.146 1
1 673 . 13 1 1 A 69 69 GLY CA C 69 47.597 47.345 0.252 1
1 674 . 13 1 1 A 69 69 GLY N N 69 102.438 106.858 -4.420 1
1 675 . 13 1 1 A 70 70 TRP H H 70 7.745 7.818 -0.073 1
1 676 . 13 1 1 A 70 70 TRP HA H 70 4.152 4.554 -0.402 1
1 684 . 13 1 1 A 70 70 TRP CA C 70 60.737 60.258 0.479 1
1 685 . 13 1 1 A 70 70 TRP CB C 70 29.185 28.213 0.972 1
1 686 . 13 1 1 A 70 70 TRP N N 70 120.118 121.526 -1.408 1
1 687 . 13 1 1 A 71 71 ASP H H 71 7.058 8.390 -1.332 1
1 688 . 13 1 1 A 71 71 ASP HA H 71 4.878 4.379 0.499 1
1 691 . 13 1 1 A 71 71 ASP CA C 71 57.165 57.705 -0.540 1
1 692 . 13 1 1 A 71 71 ASP CB C 71 40.749 42.322 -1.573 1
1 693 . 13 1 1 A 71 71 ASP N N 71 120.287 119.737 0.550 1
1 694 . 13 1 1 A 72 72 GLU H H 72 7.856 8.358 -0.502 1
1 695 . 13 1 1 A 72 72 GLU HA H 72 4.120 4.009 0.111 1
1 700 . 13 1 1 A 72 72 GLU CA C 72 58.236 59.254 -1.018 1
1 701 . 13 1 1 A 72 72 GLU CB C 72 30.409 29.230 1.179 1
1 703 . 13 1 1 A 72 72 GLU N N 72 114.126 119.564 -5.438 1
1 704 . 13 1 1 A 73 73 GLY H H 73 7.732 7.976 -0.244 1
1 705 . 13 1 1 A 73 73 GLY HA2 H 73 3.565 3.597 -0.032 1
1 706 . 13 1 1 A 73 73 GLY HA3 H 73 3.565 3.616 -0.051 1
1 707 . 13 1 1 A 73 73 GLY CA C 73 47.427 47.125 0.302 1
1 708 . 13 1 1 A 73 73 GLY N N 73 104.848 107.916 -3.068 1
1 709 . 13 1 1 A 74 74 VAL H H 74 8.138 8.464 -0.326 1
1 710 . 13 1 1 A 74 74 VAL HA H 74 3.630 3.759 -0.129 1
1 718 . 13 1 1 A 74 74 VAL CA C 74 63.679 65.793 -2.114 1
1 719 . 13 1 1 A 74 74 VAL CB C 74 31.206 31.468 -0.262 1
1 722 . 13 1 1 A 74 74 VAL N N 74 117.660 121.891 -4.231 1
1 723 . 13 1 1 A 75 75 GLN H H 75 6.431 8.642 -2.211 1
1 724 . 13 1 1 A 75 75 GLN HA H 75 3.598 4.156 -0.558 1
1 731 . 13 1 1 A 75 75 GLN CA C 75 58.343 56.867 1.476 1
1 732 . 13 1 1 A 75 75 GLN CB C 75 28.747 27.506 1.241 1
1 734 . 13 1 1 A 75 75 GLN N N 75 116.376 118.548 -2.172 1
1 736 . 13 1 1 A 76 76 GLY H H 76 8.577 7.602 0.975 1
1 737 . 13 1 1 A 76 76 GLY HA2 H 76 3.647 3.991 -0.344 1
1 738 . 13 1 1 A 76 76 GLY HA3 H 76 4.510 3.996 0.514 1
1 739 . 13 1 1 A 76 76 GLY CA C 76 45.092 45.372 -0.280 1
1 740 . 13 1 1 A 76 76 GLY N N 76 111.539 108.519 3.020 1
1 741 . 13 1 1 A 77 77 MET H H 77 7.609 7.586 0.023 1
1 742 . 13 1 1 A 77 77 MET HA H 77 3.948 4.394 -0.446 1
1 747 . 13 1 1 A 77 77 MET CA C 77 58.260 55.939 2.321 1
1 748 . 13 1 1 A 77 77 MET CB C 77 34.641 32.904 1.737 1
1 750 . 13 1 1 A 77 77 MET N N 77 119.140 119.093 0.047 1
1 751 . 13 1 1 A 78 78 LYS H H 78 8.348 8.817 -0.469 1
1 752 . 13 1 1 A 78 78 LYS HA H 78 5.015 5.045 -0.030 1
1 761 . 13 1 1 A 78 78 LYS CA C 78 54.136 54.280 -0.144 1
1 762 . 13 1 1 A 78 78 LYS CB C 78 34.944 35.582 -0.638 1
1 766 . 13 1 1 A 78 78 LYS N N 78 119.308 120.621 -1.313 1
1 767 . 13 1 1 A 79 79 VAL H H 79 8.622 8.942 -0.320 1
1 768 . 13 1 1 A 79 79 VAL HA H 79 3.160 3.508 -0.348 1
1 776 . 13 1 1 A 79 79 VAL CA C 79 66.585 65.471 1.114 1
1 777 . 13 1 1 A 79 79 VAL CB C 79 31.690 31.316 0.374 1
1 780 . 13 1 1 A 79 79 VAL N N 79 123.215 122.647 0.568 1
1 781 . 13 1 1 A 80 80 GLY H H 80 8.623 8.734 -0.111 1
1 782 . 13 1 1 A 80 80 GLY HA2 H 80 3.901 4.026 -0.125 1
1 783 . 13 1 1 A 80 80 GLY HA3 H 80 4.654 4.032 0.622 1
1 784 . 13 1 1 A 80 80 GLY CA C 80 44.457 45.176 -0.719 1
1 785 . 13 1 1 A 80 80 GLY N N 80 115.910 114.838 1.072 1
1 786 . 13 1 1 A 81 81 GLY H H 81 9.283 8.384 0.899 1
1 787 . 13 1 1 A 81 81 GLY HA2 H 81 3.574 4.005 -0.431 1
1 788 . 13 1 1 A 81 81 GLY HA3 H 81 3.916 4.008 -0.092 1
1 789 . 13 1 1 A 81 81 GLY CA C 81 45.310 44.913 0.397 1
1 790 . 13 1 1 A 81 81 GLY N N 81 111.030 108.116 2.914 1
1 791 . 13 1 1 A 82 82 VAL H H 82 8.403 8.712 -0.309 1
1 792 . 13 1 1 A 82 82 VAL HA H 82 5.141 4.978 0.163 1
1 800 . 13 1 1 A 82 82 VAL CA C 82 61.633 61.243 0.390 1
1 801 . 13 1 1 A 82 82 VAL CB C 82 34.572 34.452 0.120 1
1 804 . 13 1 1 A 82 82 VAL N N 82 119.626 123.955 -4.329 1
1 805 . 13 1 1 A 83 83 ARG H H 83 9.383 8.724 0.659 1
1 806 . 13 1 1 A 83 83 ARG HA H 83 5.354 4.932 0.422 1
1 813 . 13 1 1 A 83 83 ARG CA C 83 54.577 54.406 0.171 1
1 814 . 13 1 1 A 83 83 ARG CB C 83 35.933 34.640 1.293 1
1 817 . 13 1 1 A 83 83 ARG N N 83 130.545 125.543 5.002 1
1 818 . 13 1 1 A 84 84 ARG H H 84 9.618 9.036 0.582 1
1 819 . 13 1 1 A 84 84 ARG HA H 84 5.650 5.083 0.567 1
1 826 . 13 1 1 A 84 84 ARG CA C 84 54.383 55.115 -0.732 1
1 827 . 13 1 1 A 84 84 ARG CB C 84 32.969 31.775 1.194 1
1 830 . 13 1 1 A 84 84 ARG N N 84 127.552 120.498 7.054 1
1 831 . 13 1 1 A 85 85 LEU H H 85 10.121 9.256 0.865 1
1 832 . 13 1 1 A 85 85 LEU HA H 85 5.232 5.475 -0.243 1
1 842 . 13 1 1 A 85 85 LEU CA C 85 53.442 53.485 -0.043 1
1 843 . 13 1 1 A 85 85 LEU CB C 85 45.431 44.268 1.163 1
1 847 . 13 1 1 A 85 85 LEU N N 85 128.946 126.251 2.695 1
1 848 . 13 1 1 A 86 86 THR H H 86 9.594 8.753 0.841 1
1 849 . 13 1 1 A 86 86 THR HA H 86 5.081 4.759 0.322 1
1 854 . 13 1 1 A 86 86 THR CA C 86 63.525 62.465 1.060 1
1 855 . 13 1 1 A 86 86 THR CB C 86 68.690 69.580 -0.890 1
1 857 . 13 1 1 A 86 86 THR N N 86 121.842 120.162 1.680 1
1 858 . 13 1 1 A 87 87 ILE H H 87 10.109 8.985 1.124 1
1 859 . 13 1 1 A 87 87 ILE HA H 87 4.539 4.749 -0.210 1
1 869 . 13 1 1 A 87 87 ILE CA C 87 58.954 58.328 0.626 1
1 870 . 13 1 1 A 87 87 ILE CB C 87 40.704 38.608 2.096 1
1 874 . 13 1 1 A 87 87 ILE N N 87 129.512 128.287 1.225 1
1 875 . 13 1 1 A 88 88 PRO HA H 88 4.981 4.686 0.295 1
1 882 . 13 1 1 A 88 88 PRO CA C 88 61.675 61.822 -0.147 1
1 883 . 13 1 1 A 88 88 PRO CB C 88 30.917 32.586 -1.669 1
1 886 . 13 1 1 A 89 89 PRO HA H 89 4.439 4.211 0.228 1
1 893 . 13 1 1 A 89 89 PRO CA C 89 65.384 65.263 0.121 1
1 894 . 13 1 1 A 89 89 PRO CB C 89 30.913 32.056 -1.143 1
1 897 . 13 1 1 A 90 90 GLN H H 90 9.574 8.875 0.699 1
1 898 . 13 1 1 A 90 90 GLN HA H 90 4.296 4.170 0.126 1
1 905 . 13 1 1 A 90 90 GLN CA C 90 58.441 57.477 0.964 1
1 906 . 13 1 1 A 90 90 GLN CB C 90 26.402 27.369 -0.967 1
1 908 . 13 1 1 A 90 90 GLN N N 90 118.710 115.480 3.230 1
1 910 . 13 1 1 A 91 91 LEU H H 91 7.976 7.271 0.705 1
1 911 . 13 1 1 A 91 91 LEU HA H 91 4.636 4.589 0.047 1
1 921 . 13 1 1 A 91 91 LEU CA C 91 53.625 54.229 -0.604 1
1 922 . 13 1 1 A 91 91 LEU CB C 91 42.819 43.367 -0.548 1
1 926 . 13 1 1 A 91 91 LEU N N 91 119.302 118.720 0.582 1
1 927 . 13 1 1 A 92 92 GLY H H 92 7.717 8.100 -0.383 1
1 928 . 13 1 1 A 92 92 GLY HA2 H 92 3.258 3.881 -0.623 1
1 929 . 13 1 1 A 92 92 GLY HA3 H 92 4.121 3.950 0.171 1
1 930 . 13 1 1 A 92 92 GLY CA C 92 45.183 45.115 0.068 1
1 931 . 13 1 1 A 92 92 GLY N N 92 110.415 108.176 2.239 1
1 932 . 13 1 1 A 93 93 TYR H H 93 9.662 8.189 1.473 1
1 933 . 13 1 1 A 93 93 TYR HA H 93 4.513 4.441 0.072 1
1 940 . 13 1 1 A 93 93 TYR CA C 93 58.603 60.412 -1.809 1
1 941 . 13 1 1 A 93 93 TYR CB C 93 37.762 38.969 -1.207 1
1 942 . 13 1 1 A 93 93 TYR N N 93 126.998 122.337 4.661 1
1 943 . 13 1 1 A 94 94 GLY H H 94 8.467 7.976 0.491 1
1 944 . 13 1 1 A 94 94 GLY HA2 H 94 3.633 4.088 -0.455 1
1 945 . 13 1 1 A 94 94 GLY HA3 H 94 3.888 4.098 -0.210 1
1 946 . 13 1 1 A 94 94 GLY CA C 94 47.023 43.748 3.275 1
1 947 . 13 1 1 A 94 94 GLY N N 94 108.486 106.389 2.097 1
1 948 . 13 1 1 A 95 95 ALA H H 95 7.636 8.586 -0.950 1
1 949 . 13 1 1 A 95 95 ALA HA H 95 4.151 4.219 -0.068 1
1 953 . 13 1 1 A 95 95 ALA CA C 95 53.326 53.001 0.325 1
1 954 . 13 1 1 A 95 95 ALA CB C 95 18.831 18.883 -0.052 1
1 955 . 13 1 1 A 96 96 ARG H H 96 7.910 7.863 0.047 1
1 956 . 13 1 1 A 96 96 ARG HA H 96 4.227 4.294 -0.067 1
1 963 . 13 1 1 A 96 96 ARG CA C 96 57.514 57.601 -0.087 1
1 964 . 13 1 1 A 96 96 ARG CB C 96 31.353 31.157 0.196 1
1 967 . 13 1 1 A 96 96 ARG N N 96 115.669 118.303 -2.634 1
1 968 . 13 1 1 A 97 97 GLY H H 97 6.917 7.903 -0.986 1
1 969 . 13 1 1 A 97 97 GLY HA2 H 97 3.272 4.010 -0.738 1
1 970 . 13 1 1 A 97 97 GLY HA3 H 97 3.908 4.035 -0.127 1
1 971 . 13 1 1 A 97 97 GLY CA C 97 44.693 44.764 -0.071 1
1 972 . 13 1 1 A 97 97 GLY N N 97 103.795 107.310 -3.515 1
1 973 . 13 1 1 A 98 98 ALA H H 98 8.187 8.282 -0.095 1
1 974 . 13 1 1 A 98 98 ALA HA H 98 4.287 4.464 -0.177 1
1 978 . 13 1 1 A 98 98 ALA CA C 98 52.717 51.314 1.403 1
1 979 . 13 1 1 A 98 98 ALA CB C 98 20.563 19.934 0.629 1
1 980 . 13 1 1 A 98 98 ALA N N 98 118.770 120.294 -1.524 1
1 981 . 13 1 1 A 99 99 GLY H H 99 8.904 7.321 1.583 1
1 982 . 13 1 1 A 99 99 GLY HA2 H 99 3.670 4.164 -0.494 1
1 983 . 13 1 1 A 99 99 GLY HA3 H 99 3.854 4.172 -0.318 1
1 984 . 13 1 1 A 99 99 GLY CA C 99 46.848 45.293 1.555 1
1 985 . 13 1 1 A 99 99 GLY N N 99 109.717 106.588 3.129 1
1 986 . 13 1 1 A 100 100 GLY H H 100 8.759 8.929 -0.170 1
1 987 . 13 1 1 A 100 100 GLY HA2 H 100 3.719 3.824 -0.105 1
1 988 . 13 1 1 A 100 100 GLY HA3 H 100 4.041 3.824 0.217 1
1 989 . 13 1 1 A 100 100 GLY CA C 100 45.655 47.235 -1.580 1
1 990 . 13 1 1 A 100 100 GLY N N 100 110.895 108.986 1.909 1
1 991 . 13 1 1 A 101 101 VAL H H 101 7.631 7.634 -0.003 1
1 992 . 13 1 1 A 101 101 VAL HA H 101 4.226 4.241 -0.015 1
1 1000 . 13 1 1 A 101 101 VAL CA C 101 62.518 62.254 0.264 1
1 1001 . 13 1 1 A 101 101 VAL CB C 101 34.660 31.556 3.104 1
1 1004 . 13 1 1 A 101 101 VAL N N 101 115.165 116.741 -1.576 1
1 1005 . 13 1 1 A 102 102 ILE H H 102 7.686 7.626 0.060 1
1 1006 . 13 1 1 A 102 102 ILE HA H 102 4.351 4.538 -0.187 1
1 1016 . 13 1 1 A 102 102 ILE CA C 102 57.498 58.078 -0.580 1
1 1017 . 13 1 1 A 102 102 ILE CB C 102 38.189 38.985 -0.796 1
1 1021 . 13 1 1 A 102 102 ILE N N 102 120.043 123.520 -3.477 1
1 1022 . 13 1 1 A 103 103 PRO HA H 103 4.727 4.712 0.015 1
1 1029 . 13 1 1 A 103 103 PRO CA C 103 61.614 61.788 -0.174 1
1 1030 . 13 1 1 A 103 103 PRO CB C 103 31.055 32.628 -1.573 1
1 1033 . 13 1 1 A 104 104 PRO HA H 104 3.778 4.439 -0.661 1
1 1040 . 13 1 1 A 104 104 PRO CA C 104 63.599 64.722 -1.123 1
1 1041 . 13 1 1 A 104 104 PRO CB C 104 33.183 31.734 1.449 1
1 1044 . 13 1 1 A 105 105 ASN H H 105 8.581 8.602 -0.021 1
1 1045 . 13 1 1 A 105 105 ASN HA H 105 3.928 4.819 -0.891 1
1 1050 . 13 1 1 A 105 105 ASN CA C 105 54.447 52.382 2.065 1
1 1051 . 13 1 1 A 105 105 ASN CB C 105 37.280 38.578 -1.298 1
1 1052 . 13 1 1 A 105 105 ASN N N 105 117.269 114.269 3.000 1
1 1054 . 13 1 1 A 106 106 ALA H H 106 7.637 7.192 0.445 1
1 1055 . 13 1 1 A 106 106 ALA HA H 106 4.456 4.319 0.137 1
1 1059 . 13 1 1 A 106 106 ALA CA C 106 52.493 52.373 0.120 1
1 1060 . 13 1 1 A 106 106 ALA CB C 106 20.938 19.666 1.272 1
1 1061 . 13 1 1 A 106 106 ALA N N 106 121.257 122.751 -1.494 1
1 1062 . 13 1 1 A 107 107 THR H H 107 8.492 8.661 -0.169 1
1 1063 . 13 1 1 A 107 107 THR HA H 107 4.781 5.180 -0.399 1
1 1068 . 13 1 1 A 107 107 THR CA C 107 63.319 61.569 1.750 1
1 1069 . 13 1 1 A 107 107 THR CB C 107 69.430 71.798 -2.368 1
1 1071 . 13 1 1 A 107 107 THR N N 107 121.742 115.998 5.744 1
1 1072 . 13 1 1 A 108 108 LEU H H 108 8.900 8.775 0.125 1
1 1073 . 13 1 1 A 108 108 LEU HA H 108 5.132 5.189 -0.057 1
1 1083 . 13 1 1 A 108 108 LEU CA C 108 52.950 53.576 -0.626 1
1 1084 . 13 1 1 A 108 108 LEU CB C 108 46.730 45.459 1.271 1
1 1088 . 13 1 1 A 108 108 LEU N N 108 125.279 125.244 0.035 1
1 1089 . 13 1 1 A 109 109 VAL H H 109 8.933 8.997 -0.064 1
1 1090 . 13 1 1 A 109 109 VAL HA H 109 5.532 4.925 0.607 1
1 1098 . 13 1 1 A 109 109 VAL CA C 109 60.793 61.449 -0.656 1
1 1099 . 13 1 1 A 109 109 VAL CB C 109 34.138 33.380 0.758 1
1 1102 . 13 1 1 A 109 109 VAL N N 109 122.496 124.163 -1.667 1
1 1103 . 13 1 1 A 110 110 PHE H H 110 9.737 9.190 0.547 1
1 1104 . 13 1 1 A 110 110 PHE HA H 110 6.457 5.197 1.260 1
1 1112 . 13 1 1 A 110 110 PHE CA C 110 55.265 55.965 -0.700 1
1 1113 . 13 1 1 A 110 110 PHE CB C 110 44.818 43.513 1.305 1
1 1114 . 13 1 1 A 110 110 PHE N N 110 121.114 124.035 -2.921 1
1 1115 . 13 1 1 A 111 111 GLU H H 111 9.223 8.458 0.765 1
1 1116 . 13 1 1 A 111 111 GLU HA H 111 5.202 4.756 0.446 1
1 1121 . 13 1 1 A 111 111 GLU CA C 111 56.709 54.914 1.795 1
1 1122 . 13 1 1 A 111 111 GLU CB C 111 32.338 31.418 0.920 1
1 1124 . 13 1 1 A 111 111 GLU N N 111 122.210 123.090 -0.880 1
1 1125 . 13 1 1 A 112 112 VAL H H 112 9.269 8.784 0.485 1
1 1126 . 13 1 1 A 112 112 VAL HA H 112 4.796 4.779 0.017 1
1 1134 . 13 1 1 A 112 112 VAL CA C 112 61.127 61.267 -0.140 1
1 1135 . 13 1 1 A 112 112 VAL CB C 112 34.634 33.176 1.458 1
1 1136 . 13 1 1 A 112 112 VAL N N 112 126.195 126.797 -0.602 1
1 1137 . 13 1 1 A 113 113 GLU H H 113 9.545 9.146 0.399 1
1 1138 . 13 1 1 A 113 113 GLU HA H 113 5.483 5.387 0.096 1
1 1143 . 13 1 1 A 113 113 GLU CA C 113 53.159 54.601 -1.442 1
1 1144 . 13 1 1 A 113 113 GLU CB C 113 32.657 32.038 0.619 1
1 1146 . 13 1 1 A 113 113 GLU N N 113 128.111 124.451 3.660 1
1 1147 . 13 1 1 A 114 114 LEU H H 114 8.261 8.745 -0.484 1
1 1148 . 13 1 1 A 114 114 LEU HA H 114 4.634 4.507 0.127 1
1 1158 . 13 1 1 A 114 114 LEU CA C 114 55.217 55.638 -0.421 1
1 1159 . 13 1 1 A 114 114 LEU CB C 114 41.826 42.681 -0.855 1
1 1163 . 13 1 1 A 114 114 LEU N N 114 126.273 126.880 -0.607 1
1 1164 . 13 1 1 A 115 115 LEU H H 115 9.258 8.947 0.311 1
1 1165 . 13 1 1 A 115 115 LEU HA H 115 4.453 4.496 -0.043 1
1 1175 . 13 1 1 A 115 115 LEU CA C 115 55.791 55.986 -0.195 1
1 1176 . 13 1 1 A 115 115 LEU CB C 115 42.897 42.815 0.082 1
1 1180 . 13 1 1 A 115 115 LEU N N 115 130.031 128.164 1.867 1
1 1181 . 13 1 1 A 116 116 ASP H H 116 7.748 7.310 0.438 1
1 1182 . 13 1 1 A 116 116 ASP HA H 116 4.672 4.897 -0.225 1
1 1185 . 13 1 1 A 116 116 ASP CA C 116 54.385 53.938 0.447 1
1 1186 . 13 1 1 A 116 116 ASP CB C 116 43.828 44.765 -0.937 1
1 1187 . 13 1 1 A 116 116 ASP N N 116 115.338 114.289 1.049 1
1 1 . 14 1 1 A 3 3 GLY H H 3 8.684 7.445 1.239 1
1 2 . 14 1 1 A 3 3 GLY HA2 H 3 3.959 4.029 -0.070 1
1 3 . 14 1 1 A 3 3 GLY HA3 H 3 3.959 4.032 -0.073 1
1 4 . 14 1 1 A 3 3 GLY N N 3 110.167 104.525 5.642 1
1 5 . 14 1 1 A 4 4 SER H H 4 8.315 8.449 -0.134 1
1 6 . 14 1 1 A 4 4 SER HA H 4 4.468 4.045 0.423 1
1 9 . 14 1 1 A 4 4 SER CA C 4 58.355 59.181 -0.826 1
1 10 . 14 1 1 A 4 4 SER N N 4 115.851 117.556 -1.705 1
1 11 . 14 1 1 A 5 5 MET H H 5 8.640 8.018 0.622 1
1 12 . 14 1 1 A 5 5 MET HA H 5 4.554 4.652 -0.098 1
1 17 . 14 1 1 A 5 5 MET CA C 5 55.754 55.344 0.410 1
1 18 . 14 1 1 A 5 5 MET CB C 5 32.870 33.630 -0.760 1
1 20 . 14 1 1 A 5 5 MET N N 5 122.413 120.107 2.306 1
1 21 . 14 1 1 A 6 6 THR H H 6 8.265 8.418 -0.153 1
1 22 . 14 1 1 A 6 6 THR HA H 6 4.296 5.041 -0.745 1
1 27 . 14 1 1 A 6 6 THR CA C 6 62.224 59.457 2.767 1
1 28 . 14 1 1 A 6 6 THR CB C 6 69.806 71.870 -2.064 1
1 30 . 14 1 1 A 6 6 THR N N 6 116.270 115.167 1.103 1
1 31 . 14 1 1 A 7 7 VAL H H 7 8.068 8.667 -0.599 1
1 32 . 14 1 1 A 7 7 VAL HA H 7 4.200 4.148 0.052 1
1 40 . 14 1 1 A 7 7 VAL CA C 7 62.021 62.774 -0.753 1
1 41 . 14 1 1 A 7 7 VAL CB C 7 32.773 31.171 1.602 1
1 44 . 14 1 1 A 7 7 VAL N N 7 124.632 125.778 -1.146 1
1 45 . 14 1 1 A 8 8 VAL H H 8 8.985 7.942 1.043 1
1 46 . 14 1 1 A 8 8 VAL HA H 8 3.872 4.073 -0.201 1
1 54 . 14 1 1 A 8 8 VAL CA C 8 61.848 62.420 -0.572 1
1 55 . 14 1 1 A 8 8 VAL CB C 8 33.157 31.796 1.361 1
1 58 . 14 1 1 A 8 8 VAL N N 8 132.503 128.173 4.330 1
1 59 . 14 1 1 A 9 9 THR H H 9 8.213 8.826 -0.613 1
1 60 . 14 1 1 A 9 9 THR HA H 9 5.250 5.154 0.096 1
1 65 . 14 1 1 A 9 9 THR CA C 9 61.040 60.090 0.950 1
1 66 . 14 1 1 A 9 9 THR CB C 9 69.773 72.305 -2.532 1
1 68 . 14 1 1 A 9 9 THR N N 9 121.386 122.339 -0.953 1
1 69 . 14 1 1 A 10 10 THR H H 10 9.318 8.234 1.084 1
1 70 . 14 1 1 A 10 10 THR HA H 10 4.693 4.944 -0.251 1
1 75 . 14 1 1 A 10 10 THR CA C 10 60.077 59.907 0.170 1
1 76 . 14 1 1 A 10 10 THR CB C 10 70.131 71.110 -0.979 1
1 78 . 14 1 1 A 10 10 THR N N 10 119.882 114.515 5.367 1
1 79 . 14 1 1 A 11 11 GLU H H 11 9.051 8.737 0.314 1
1 80 . 14 1 1 A 11 11 GLU HA H 11 4.028 4.145 -0.117 1
1 85 . 14 1 1 A 11 11 GLU CA C 11 59.072 59.161 -0.089 1
1 86 . 14 1 1 A 11 11 GLU CB C 11 29.516 29.660 -0.144 1
1 88 . 14 1 1 A 11 11 GLU N N 11 120.586 120.398 0.188 1
1 89 . 14 1 1 A 12 12 SER H H 12 8.445 7.957 0.488 1
1 90 . 14 1 1 A 12 12 SER HA H 12 4.302 4.510 -0.208 1
1 93 . 14 1 1 A 12 12 SER CA C 12 58.483 59.364 -0.881 1
1 94 . 14 1 1 A 12 12 SER CB C 12 63.034 64.788 -1.754 1
1 95 . 14 1 1 A 12 12 SER N N 12 114.574 112.765 1.809 1
1 96 . 14 1 1 A 13 13 GLY H H 13 7.798 7.622 0.176 1
1 97 . 14 1 1 A 13 13 GLY HA2 H 13 3.425 4.079 -0.654 1
1 98 . 14 1 1 A 13 13 GLY HA3 H 13 4.401 4.080 0.321 1
1 99 . 14 1 1 A 13 13 GLY CA C 13 44.276 45.294 -1.018 1
1 100 . 14 1 1 A 13 13 GLY N N 13 109.024 110.139 -1.115 1
1 101 . 14 1 1 A 14 14 LEU H H 14 7.501 7.458 0.043 1
1 102 . 14 1 1 A 14 14 LEU HA H 14 3.967 4.532 -0.565 1
1 112 . 14 1 1 A 14 14 LEU CA C 14 56.343 55.864 0.479 1
1 113 . 14 1 1 A 14 14 LEU CB C 14 41.856 42.831 -0.975 1
1 117 . 14 1 1 A 14 14 LEU N N 14 123.870 123.423 0.447 1
1 118 . 14 1 1 A 15 15 LYS H H 15 7.812 8.692 -0.880 1
1 119 . 14 1 1 A 15 15 LYS HA H 15 5.942 5.329 0.613 1
1 127 . 14 1 1 A 15 15 LYS CA C 15 54.052 54.377 -0.325 1
1 128 . 14 1 1 A 15 15 LYS CB C 15 36.289 35.720 0.569 1
1 132 . 14 1 1 A 15 15 LYS N N 15 123.667 125.526 -1.859 1
1 133 . 14 1 1 A 16 16 TYR H H 16 9.289 8.888 0.401 1
1 134 . 14 1 1 A 16 16 TYR HA H 16 5.996 5.429 0.567 1
1 141 . 14 1 1 A 16 16 TYR CA C 16 55.784 56.180 -0.396 1
1 142 . 14 1 1 A 16 16 TYR CB C 16 43.297 41.880 1.417 1
1 143 . 14 1 1 A 16 16 TYR N N 16 117.890 117.672 0.218 1
1 144 . 14 1 1 A 17 17 GLU H H 17 8.728 9.161 -0.433 1
1 145 . 14 1 1 A 17 17 GLU HA H 17 4.860 4.851 0.009 1
1 150 . 14 1 1 A 17 17 GLU CA C 17 54.072 54.866 -0.794 1
1 151 . 14 1 1 A 17 17 GLU CB C 17 35.222 33.113 2.109 1
1 152 . 14 1 1 A 17 17 GLU N N 17 118.386 121.865 -3.479 1
1 153 . 14 1 1 A 18 18 ASP H H 18 9.596 8.796 0.800 1
1 154 . 14 1 1 A 18 18 ASP HA H 18 5.296 4.717 0.579 1
1 157 . 14 1 1 A 18 18 ASP CA C 18 55.695 54.706 0.989 1
1 158 . 14 1 1 A 18 18 ASP CB C 18 40.940 41.384 -0.444 1
1 159 . 14 1 1 A 18 18 ASP N N 18 127.059 127.366 -0.307 1
1 160 . 14 1 1 A 19 19 LEU H H 19 8.609 9.110 -0.501 1
1 161 . 14 1 1 A 19 19 LEU HA H 19 4.275 4.575 -0.300 1
1 171 . 14 1 1 A 19 19 LEU CA C 19 56.923 55.868 1.055 1
1 172 . 14 1 1 A 19 19 LEU CB C 19 41.074 43.756 -2.682 1
1 176 . 14 1 1 A 19 19 LEU N N 19 128.620 126.675 1.945 1
1 177 . 14 1 1 A 20 20 THR H H 20 8.136 8.056 0.080 1
1 178 . 14 1 1 A 20 20 THR HA H 20 4.400 4.783 -0.383 1
1 183 . 14 1 1 A 20 20 THR CA C 20 61.835 61.386 0.449 1
1 184 . 14 1 1 A 20 20 THR CB C 20 72.411 71.813 0.598 1
1 186 . 14 1 1 A 20 20 THR N N 20 112.473 111.862 0.611 1
1 187 . 14 1 1 A 21 21 GLU H H 21 9.354 8.866 0.488 1
1 188 . 14 1 1 A 21 21 GLU HA H 21 4.370 4.380 -0.010 1
1 193 . 14 1 1 A 21 21 GLU CA C 21 56.277 57.187 -0.910 1
1 194 . 14 1 1 A 21 21 GLU CB C 21 30.368 30.956 -0.588 1
1 196 . 14 1 1 A 21 21 GLU N N 21 130.043 127.674 2.369 1
1 197 . 14 1 1 A 22 22 GLY H H 22 9.071 8.534 0.537 1
1 198 . 14 1 1 A 22 22 GLY HA2 H 22 3.446 4.049 -0.603 1
1 199 . 14 1 1 A 22 22 GLY HA3 H 22 3.742 4.052 -0.310 1
1 200 . 14 1 1 A 22 22 GLY CA C 22 45.343 46.033 -0.690 1
1 201 . 14 1 1 A 22 22 GLY N N 22 113.930 111.966 1.964 1
1 202 . 14 1 1 A 23 23 SER H H 23 8.040 8.116 -0.076 1
1 203 . 14 1 1 A 23 23 SER HA H 23 4.671 4.090 0.581 1
1 206 . 14 1 1 A 23 23 SER CA C 23 57.488 59.432 -1.944 1
1 207 . 14 1 1 A 23 23 SER CB C 23 65.069 61.293 3.776 1
1 208 . 14 1 1 A 23 23 SER N N 23 111.747 111.784 -0.037 1
1 209 . 14 1 1 A 24 24 GLY H H 24 8.418 8.088 0.330 1
1 210 . 14 1 1 A 24 24 GLY HA2 H 24 3.693 4.146 -0.453 1
1 211 . 14 1 1 A 24 24 GLY HA3 H 24 4.328 4.147 0.181 1
1 212 . 14 1 1 A 24 24 GLY CA C 24 44.138 44.926 -0.788 1
1 213 . 14 1 1 A 24 24 GLY N N 24 111.391 107.004 4.387 1
1 214 . 14 1 1 A 25 25 ALA H H 25 8.342 8.213 0.129 1
1 215 . 14 1 1 A 25 25 ALA HA H 25 4.061 4.771 -0.710 1
1 219 . 14 1 1 A 25 25 ALA CA C 25 52.551 51.077 1.474 1
1 220 . 14 1 1 A 25 25 ALA CB C 25 19.752 20.284 -0.532 1
1 221 . 14 1 1 A 25 25 ALA N N 25 123.675 123.641 0.034 1
1 222 . 14 1 1 A 26 26 GLU H H 26 8.194 8.558 -0.364 1
1 223 . 14 1 1 A 26 26 GLU HA H 26 4.498 4.409 0.089 1
1 228 . 14 1 1 A 26 26 GLU CA C 26 55.174 56.188 -1.014 1
1 229 . 14 1 1 A 26 26 GLU CB C 26 31.906 30.763 1.143 1
1 231 . 14 1 1 A 26 26 GLU N N 26 119.186 122.725 -3.539 1
1 232 . 14 1 1 A 27 27 ALA H H 27 8.930 8.191 0.739 1
1 233 . 14 1 1 A 27 27 ALA HA H 27 4.527 4.259 0.268 1
1 237 . 14 1 1 A 27 27 ALA CA C 27 51.815 52.927 -1.112 1
1 238 . 14 1 1 A 27 27 ALA CB C 27 19.057 19.226 -0.169 1
1 239 . 14 1 1 A 27 27 ALA N N 27 127.513 126.854 0.659 1
1 240 . 14 1 1 A 28 28 ARG H H 28 8.348 8.902 -0.554 1
1 241 . 14 1 1 A 28 28 ARG HA H 28 4.563 4.749 -0.186 1
1 246 . 14 1 1 A 28 28 ARG CA C 28 53.584 54.035 -0.451 1
1 247 . 14 1 1 A 28 28 ARG CB C 28 33.571 33.646 -0.075 1
1 250 . 14 1 1 A 28 28 ARG N N 28 124.054 121.391 2.663 1
1 251 . 14 1 1 A 29 29 ALA H H 29 8.387 8.654 -0.267 1
1 252 . 14 1 1 A 29 29 ALA HA H 29 3.594 3.906 -0.312 1
1 256 . 14 1 1 A 29 29 ALA CA C 29 53.535 53.900 -0.365 1
1 257 . 14 1 1 A 29 29 ALA CB C 29 17.781 18.402 -0.621 1
1 258 . 14 1 1 A 29 29 ALA N N 29 122.289 126.838 -4.549 1
1 259 . 14 1 1 A 30 30 GLY H H 30 9.043 9.070 -0.027 1
1 260 . 14 1 1 A 30 30 GLY HA2 H 30 3.451 4.003 -0.552 1
1 261 . 14 1 1 A 30 30 GLY HA3 H 30 4.378 4.004 0.374 1
1 262 . 14 1 1 A 30 30 GLY CA C 30 44.562 45.081 -0.519 1
1 263 . 14 1 1 A 30 30 GLY N N 30 110.956 111.082 -0.126 1
1 264 . 14 1 1 A 31 31 GLN H H 31 7.620 7.597 0.023 1
1 265 . 14 1 1 A 31 31 GLN HA H 31 4.343 4.638 -0.295 1
1 272 . 14 1 1 A 31 31 GLN CA C 31 55.410 54.954 0.456 1
1 273 . 14 1 1 A 31 31 GLN CB C 31 30.151 30.463 -0.312 1
1 275 . 14 1 1 A 31 31 GLN N N 31 119.756 118.708 1.048 1
1 277 . 14 1 1 A 32 32 THR H H 32 8.793 8.506 0.287 1
1 278 . 14 1 1 A 32 32 THR HA H 32 4.463 4.807 -0.344 1
1 283 . 14 1 1 A 32 32 THR CA C 32 63.072 61.922 1.150 1
1 284 . 14 1 1 A 32 32 THR CB C 32 68.380 70.529 -2.149 1
1 286 . 14 1 1 A 32 32 THR N N 32 119.718 118.812 0.906 1
1 287 . 14 1 1 A 33 33 VAL H H 33 8.393 8.667 -0.274 1
1 288 . 14 1 1 A 33 33 VAL HA H 33 4.712 4.860 -0.148 1
1 296 . 14 1 1 A 33 33 VAL CA C 33 58.274 59.096 -0.822 1
1 297 . 14 1 1 A 33 33 VAL CB C 33 33.309 36.249 -2.940 1
1 300 . 14 1 1 A 33 33 VAL N N 33 120.513 118.761 1.752 1
1 301 . 14 1 1 A 34 34 SER H H 34 7.865 8.849 -0.984 1
1 302 . 14 1 1 A 34 34 SER HA H 34 5.262 5.483 -0.221 1
1 305 . 14 1 1 A 34 34 SER CA C 34 56.443 56.756 -0.313 1
1 306 . 14 1 1 A 34 34 SER CB C 34 64.882 64.675 0.207 1
1 307 . 14 1 1 A 34 34 SER N N 34 113.652 116.391 -2.739 1
1 308 . 14 1 1 A 35 35 VAL H H 35 9.531 9.234 0.297 1
1 309 . 14 1 1 A 35 35 VAL HA H 35 5.715 5.161 0.554 1
1 317 . 14 1 1 A 35 35 VAL CA C 35 58.226 58.971 -0.745 1
1 318 . 14 1 1 A 35 35 VAL CB C 35 35.412 36.275 -0.863 1
1 321 . 14 1 1 A 35 35 VAL N N 35 117.985 120.566 -2.581 1
1 322 . 14 1 1 A 36 36 HIS H H 36 8.812 8.832 -0.020 1
1 323 . 14 1 1 A 36 36 HIS HA H 36 5.784 5.613 0.171 1
1 328 . 14 1 1 A 36 36 HIS CA C 36 54.671 53.730 0.941 1
1 329 . 14 1 1 A 36 36 HIS CB C 36 35.786 32.722 3.064 1
1 330 . 14 1 1 A 36 36 HIS N N 36 118.227 119.354 -1.127 1
1 331 . 14 1 1 A 37 37 TYR H H 37 9.680 8.918 0.762 1
1 332 . 14 1 1 A 37 37 TYR HA H 37 6.201 5.958 0.243 1
1 339 . 14 1 1 A 37 37 TYR CA C 37 56.280 55.243 1.037 1
1 340 . 14 1 1 A 37 37 TYR CB C 37 43.791 41.544 2.247 1
1 341 . 14 1 1 A 37 37 TYR N N 37 116.878 119.261 -2.383 1
1 342 . 14 1 1 A 38 38 THR H H 38 8.478 8.687 -0.209 1
1 343 . 14 1 1 A 38 38 THR HA H 38 4.374 4.524 -0.150 1
1 348 . 14 1 1 A 38 38 THR CA C 38 62.692 59.999 2.693 1
1 349 . 14 1 1 A 38 38 THR CB C 38 71.675 70.443 1.232 1
1 351 . 14 1 1 A 38 38 THR N N 38 117.172 117.111 0.061 1
1 352 . 14 1 1 A 39 39 GLY H H 39 8.332 8.444 -0.112 1
1 353 . 14 1 1 A 39 39 GLY HA2 H 39 1.943 2.293 -0.350 1
1 354 . 14 1 1 A 39 39 GLY HA3 H 39 4.624 2.923 1.701 1
1 355 . 14 1 1 A 39 39 GLY CA C 39 44.767 44.923 -0.156 1
1 356 . 14 1 1 A 39 39 GLY N N 39 113.042 112.451 0.591 1
1 357 . 14 1 1 A 40 40 TRP H H 40 9.669 8.666 1.003 1
1 358 . 14 1 1 A 40 40 TRP HA H 40 5.499 5.242 0.257 1
1 366 . 14 1 1 A 40 40 TRP CA C 40 57.026 55.592 1.434 1
1 367 . 14 1 1 A 40 40 TRP CB C 40 34.177 32.217 1.960 1
1 368 . 14 1 1 A 40 40 TRP N N 40 123.550 125.428 -1.878 1
1 370 . 14 1 1 A 41 41 LEU H H 41 8.699 8.845 -0.146 1
1 371 . 14 1 1 A 41 41 LEU HA H 41 5.056 4.797 0.259 1
1 381 . 14 1 1 A 41 41 LEU CA C 41 54.040 54.083 -0.043 1
1 382 . 14 1 1 A 41 41 LEU CB C 41 41.981 42.154 -0.173 1
1 386 . 14 1 1 A 41 41 LEU N N 41 119.318 124.083 -4.765 1
1 387 . 14 1 1 A 42 42 THR H H 42 9.418 8.795 0.623 1
1 388 . 14 1 1 A 42 42 THR HA H 42 3.962 4.049 -0.087 1
1 393 . 14 1 1 A 42 42 THR CA C 42 65.117 64.843 0.274 1
1 394 . 14 1 1 A 42 42 THR CB C 42 68.693 68.514 0.179 1
1 396 . 14 1 1 A 42 42 THR N N 42 112.465 115.980 -3.515 1
1 397 . 14 1 1 A 43 43 ASP H H 43 7.690 8.007 -0.317 1
1 398 . 14 1 1 A 43 43 ASP HA H 43 4.538 4.555 -0.017 1
1 401 . 14 1 1 A 43 43 ASP CA C 43 53.655 53.377 0.278 1
1 402 . 14 1 1 A 43 43 ASP CB C 43 40.109 41.312 -1.203 1
1 403 . 14 1 1 A 43 43 ASP N N 43 118.952 118.696 0.256 1
1 404 . 14 1 1 A 44 44 GLY H H 44 8.043 7.910 0.133 1
1 405 . 14 1 1 A 44 44 GLY HA2 H 44 3.521 3.934 -0.413 1
1 406 . 14 1 1 A 44 44 GLY HA3 H 44 4.318 3.971 0.347 1
1 407 . 14 1 1 A 44 44 GLY CA C 44 44.869 44.902 -0.033 1
1 408 . 14 1 1 A 44 44 GLY N N 44 107.790 108.323 -0.533 1
1 409 . 14 1 1 A 45 45 GLN H H 45 8.355 7.938 0.417 1
1 410 . 14 1 1 A 45 45 GLN HA H 45 4.319 4.223 0.096 1
1 417 . 14 1 1 A 45 45 GLN CA C 45 56.909 55.600 1.309 1
1 418 . 14 1 1 A 45 45 GLN CB C 45 29.837 29.071 0.766 1
1 420 . 14 1 1 A 45 45 GLN N N 45 121.541 119.588 1.953 1
1 422 . 14 1 1 A 46 46 LYS H H 46 8.915 8.548 0.367 1
1 423 . 14 1 1 A 46 46 LYS HA H 46 4.454 4.671 -0.217 1
1 432 . 14 1 1 A 46 46 LYS CA C 46 55.782 56.914 -1.132 1
1 433 . 14 1 1 A 46 46 LYS CB C 46 33.097 32.484 0.613 1
1 437 . 14 1 1 A 46 46 LYS N N 46 129.310 126.414 2.896 1
1 438 . 14 1 1 A 47 47 PHE H H 47 8.440 8.701 -0.261 1
1 439 . 14 1 1 A 47 47 PHE HA H 47 5.103 4.988 0.115 1
1 447 . 14 1 1 A 47 47 PHE CA C 47 56.272 56.782 -0.510 1
1 448 . 14 1 1 A 47 47 PHE CB C 47 41.094 40.335 0.759 1
1 449 . 14 1 1 A 47 47 PHE N N 47 122.874 122.792 0.082 1
1 450 . 14 1 1 A 48 48 ASP H H 48 6.744 7.464 -0.720 1
1 451 . 14 1 1 A 48 48 ASP HA H 48 4.790 4.845 -0.055 1
1 454 . 14 1 1 A 48 48 ASP CA C 48 54.518 54.289 0.229 1
1 455 . 14 1 1 A 48 48 ASP CB C 48 43.929 44.391 -0.462 1
1 456 . 14 1 1 A 48 48 ASP N N 48 118.152 119.546 -1.394 1
1 457 . 14 1 1 A 49 49 SER H H 49 8.122 8.585 -0.463 1
1 458 . 14 1 1 A 49 49 SER HA H 49 4.608 5.037 -0.429 1
1 461 . 14 1 1 A 49 49 SER CA C 49 56.963 56.166 0.797 1
1 462 . 14 1 1 A 49 49 SER CB C 49 64.699 66.099 -1.400 1
1 463 . 14 1 1 A 49 49 SER N N 49 117.585 119.596 -2.011 1
1 464 . 14 1 1 A 50 50 SER H H 50 8.020 8.781 -0.761 1
1 465 . 14 1 1 A 50 50 SER HA H 50 4.045 4.030 0.015 1
1 468 . 14 1 1 A 50 50 SER CA C 50 61.482 60.140 1.342 1
1 469 . 14 1 1 A 50 50 SER CB C 50 61.488 62.479 -0.991 1
1 470 . 14 1 1 A 50 50 SER N N 50 124.801 119.087 5.714 1
1 471 . 14 1 1 A 51 51 LYS H H 51 7.730 7.879 -0.149 1
1 472 . 14 1 1 A 51 51 LYS HA H 51 3.505 4.002 -0.497 1
1 481 . 14 1 1 A 51 51 LYS CA C 51 58.921 59.164 -0.243 1
1 482 . 14 1 1 A 51 51 LYS CB C 51 31.346 32.013 -0.667 1
1 486 . 14 1 1 A 51 51 LYS N N 51 124.103 120.237 3.866 1
1 487 . 14 1 1 A 52 52 ASP H H 52 7.324 7.932 -0.608 1
1 488 . 14 1 1 A 52 52 ASP HA H 52 4.284 4.425 -0.141 1
1 491 . 14 1 1 A 52 52 ASP CA C 52 56.524 57.125 -0.601 1
1 492 . 14 1 1 A 52 52 ASP CB C 52 40.201 41.337 -1.136 1
1 493 . 14 1 1 A 52 52 ASP N N 52 118.971 119.483 -0.512 1
1 494 . 14 1 1 A 53 53 ARG H H 53 6.923 7.828 -0.905 1
1 495 . 14 1 1 A 53 53 ARG HA H 53 4.461 4.384 0.077 1
1 502 . 14 1 1 A 53 53 ARG CA C 53 55.597 57.047 -1.450 1
1 503 . 14 1 1 A 53 53 ARG CB C 53 31.289 31.341 -0.052 1
1 506 . 14 1 1 A 53 53 ARG N N 53 114.803 118.840 -4.037 1
1 507 . 14 1 1 A 54 54 ASN H H 54 7.827 7.575 0.252 1
1 508 . 14 1 1 A 54 54 ASN HA H 54 4.352 4.362 -0.010 1
1 513 . 14 1 1 A 54 54 ASN CA C 54 54.339 54.673 -0.334 1
1 514 . 14 1 1 A 54 54 ASN CB C 54 37.849 36.666 1.183 1
1 515 . 14 1 1 A 54 54 ASN N N 54 117.421 116.670 0.751 1
1 517 . 14 1 1 A 55 55 ASP H H 55 7.580 7.881 -0.301 1
1 518 . 14 1 1 A 55 55 ASP HA H 55 5.360 5.063 0.297 1
1 521 . 14 1 1 A 55 55 ASP CA C 55 51.697 51.952 -0.255 1
1 522 . 14 1 1 A 55 55 ASP CB C 55 43.377 44.249 -0.872 1
1 523 . 14 1 1 A 55 55 ASP N N 55 115.802 117.720 -1.918 1
1 524 . 14 1 1 A 56 56 PRO HA H 56 4.022 3.735 0.287 1
1 531 . 14 1 1 A 56 56 PRO CA C 56 63.115 62.387 0.728 1
1 532 . 14 1 1 A 56 56 PRO CB C 56 32.348 32.294 0.054 1
1 535 . 14 1 1 A 57 57 PHE H H 57 9.207 8.521 0.686 1
1 536 . 14 1 1 A 57 57 PHE HA H 57 4.874 4.679 0.195 1
1 544 . 14 1 1 A 57 57 PHE CA C 57 57.290 57.598 -0.308 1
1 545 . 14 1 1 A 57 57 PHE CB C 57 42.517 39.340 3.177 1
1 546 . 14 1 1 A 57 57 PHE N N 57 124.509 123.030 1.479 1
1 547 . 14 1 1 A 58 58 ALA H H 58 7.942 8.837 -0.895 1
1 548 . 14 1 1 A 58 58 ALA HA H 58 5.928 5.534 0.394 1
1 552 . 14 1 1 A 58 58 ALA CA C 58 49.705 50.324 -0.619 1
1 553 . 14 1 1 A 58 58 ALA CB C 58 21.621 21.838 -0.217 1
1 554 . 14 1 1 A 58 58 ALA N N 58 130.661 129.600 1.061 1
1 555 . 14 1 1 A 59 59 PHE H H 59 8.455 8.685 -0.230 1
1 556 . 14 1 1 A 59 59 PHE HA H 59 4.660 5.025 -0.365 1
1 564 . 14 1 1 A 59 59 PHE CA C 59 55.610 56.005 -0.395 1
1 565 . 14 1 1 A 59 59 PHE CB C 59 40.857 40.593 0.264 1
1 566 . 14 1 1 A 59 59 PHE N N 59 114.967 117.117 -2.150 1
1 567 . 14 1 1 A 60 60 VAL H H 60 8.168 8.838 -0.670 1
1 568 . 14 1 1 A 60 60 VAL HA H 60 4.084 4.118 -0.034 1
1 576 . 14 1 1 A 60 60 VAL CA C 60 61.907 62.080 -0.173 1
1 577 . 14 1 1 A 60 60 VAL CB C 60 31.564 32.347 -0.783 1
1 580 . 14 1 1 A 60 60 VAL N N 60 120.308 119.741 0.567 1
1 581 . 14 1 1 A 61 61 LEU H H 61 8.900 8.404 0.496 1
1 582 . 14 1 1 A 61 61 LEU HA H 61 4.248 3.910 0.338 1
1 592 . 14 1 1 A 61 61 LEU CA C 61 56.558 56.012 0.546 1
1 593 . 14 1 1 A 61 61 LEU CB C 61 41.736 41.968 -0.232 1
1 597 . 14 1 1 A 61 61 LEU N N 61 134.513 128.763 5.750 1
1 598 . 14 1 1 A 62 62 GLY H H 62 9.652 9.118 0.534 1
1 599 . 14 1 1 A 62 62 GLY HA2 H 62 3.558 4.011 -0.453 1
1 600 . 14 1 1 A 62 62 GLY HA3 H 62 4.154 4.038 0.116 1
1 601 . 14 1 1 A 62 62 GLY CA C 62 45.721 45.632 0.089 1
1 602 . 14 1 1 A 62 62 GLY N N 62 119.352 114.863 4.489 1
1 603 . 14 1 1 A 63 63 GLY H H 63 8.338 8.180 0.158 1
1 604 . 14 1 1 A 63 63 GLY HA2 H 63 3.557 3.802 -0.245 1
1 605 . 14 1 1 A 63 63 GLY HA3 H 63 4.298 3.857 0.441 1
1 606 . 14 1 1 A 63 63 GLY CA C 63 45.442 46.879 -1.437 1
1 607 . 14 1 1 A 63 63 GLY N N 63 107.002 108.301 -1.299 1
1 608 . 14 1 1 A 64 64 GLY H H 64 9.301 7.825 1.476 1
1 609 . 14 1 1 A 64 64 GLY HA2 H 64 4.057 4.023 0.034 1
1 610 . 14 1 1 A 64 64 GLY HA3 H 64 4.057 4.034 0.023 1
1 611 . 14 1 1 A 64 64 GLY CA C 64 46.425 45.329 1.096 1
1 612 . 14 1 1 A 64 64 GLY N N 64 112.092 107.058 5.034 1
1 613 . 14 1 1 A 65 65 MET H H 65 9.574 8.073 1.501 1
1 614 . 14 1 1 A 65 65 MET HA H 65 4.546 4.120 0.426 1
1 619 . 14 1 1 A 65 65 MET CA C 65 55.641 58.231 -2.590 1
1 620 . 14 1 1 A 65 65 MET CB C 65 33.268 32.858 0.410 1
1 622 . 14 1 1 A 65 65 MET N N 65 118.659 121.125 -2.466 1
1 623 . 14 1 1 A 66 66 VAL H H 66 6.867 7.351 -0.484 1
1 624 . 14 1 1 A 66 66 VAL HA H 66 4.454 3.981 0.473 1
1 632 . 14 1 1 A 66 66 VAL CA C 66 57.545 60.641 -3.096 1
1 633 . 14 1 1 A 66 66 VAL CB C 66 35.736 33.191 2.545 1
1 636 . 14 1 1 A 66 66 VAL N N 66 108.649 115.331 -6.682 1
1 637 . 14 1 1 A 67 67 ILE H H 67 7.158 7.693 -0.535 1
1 638 . 14 1 1 A 67 67 ILE HA H 67 3.894 4.141 -0.247 1
1 648 . 14 1 1 A 67 67 ILE CA C 67 62.065 61.517 0.548 1
1 649 . 14 1 1 A 67 67 ILE CB C 67 37.130 38.792 -1.662 1
1 653 . 14 1 1 A 67 67 ILE N N 67 111.614 117.724 -6.110 1
1 654 . 14 1 1 A 68 68 LYS H H 68 9.182 8.967 0.215 1
1 655 . 14 1 1 A 68 68 LYS HA H 68 4.241 3.960 0.281 1
1 664 . 14 1 1 A 68 68 LYS CA C 68 60.042 59.567 0.475 1
1 665 . 14 1 1 A 68 68 LYS CB C 68 33.366 32.231 1.135 1
1 669 . 14 1 1 A 68 68 LYS N N 68 125.685 123.535 2.150 1
1 670 . 14 1 1 A 69 69 GLY H H 69 9.653 8.344 1.309 1
1 671 . 14 1 1 A 69 69 GLY HA2 H 69 3.595 3.803 -0.208 1
1 672 . 14 1 1 A 69 69 GLY HA3 H 69 3.971 3.839 0.132 1
1 673 . 14 1 1 A 69 69 GLY CA C 69 47.597 47.392 0.205 1
1 674 . 14 1 1 A 69 69 GLY N N 69 102.438 106.940 -4.502 1
1 675 . 14 1 1 A 70 70 TRP H H 70 7.745 7.928 -0.183 1
1 676 . 14 1 1 A 70 70 TRP HA H 70 4.152 4.610 -0.458 1
1 684 . 14 1 1 A 70 70 TRP CA C 70 60.737 60.510 0.227 1
1 685 . 14 1 1 A 70 70 TRP CB C 70 29.185 28.121 1.064 1
1 686 . 14 1 1 A 70 70 TRP N N 70 120.118 121.479 -1.361 1
1 687 . 14 1 1 A 71 71 ASP H H 71 7.058 8.408 -1.350 1
1 688 . 14 1 1 A 71 71 ASP HA H 71 4.878 4.414 0.464 1
1 691 . 14 1 1 A 71 71 ASP CA C 71 57.165 57.851 -0.686 1
1 692 . 14 1 1 A 71 71 ASP CB C 71 40.749 41.950 -1.201 1
1 693 . 14 1 1 A 71 71 ASP N N 71 120.287 119.648 0.639 1
1 694 . 14 1 1 A 72 72 GLU H H 72 7.856 8.489 -0.633 1
1 695 . 14 1 1 A 72 72 GLU HA H 72 4.120 4.091 0.029 1
1 700 . 14 1 1 A 72 72 GLU CA C 72 58.236 59.116 -0.880 1
1 701 . 14 1 1 A 72 72 GLU CB C 72 30.409 29.324 1.085 1
1 703 . 14 1 1 A 72 72 GLU N N 72 114.126 118.762 -4.636 1
1 704 . 14 1 1 A 73 73 GLY H H 73 7.732 7.971 -0.239 1
1 705 . 14 1 1 A 73 73 GLY HA2 H 73 3.565 3.592 -0.027 1
1 706 . 14 1 1 A 73 73 GLY HA3 H 73 3.565 3.610 -0.045 1
1 707 . 14 1 1 A 73 73 GLY CA C 73 47.427 47.247 0.180 1
1 708 . 14 1 1 A 73 73 GLY N N 73 104.848 108.379 -3.531 1
1 709 . 14 1 1 A 74 74 VAL H H 74 8.138 8.726 -0.588 1
1 710 . 14 1 1 A 74 74 VAL HA H 74 3.630 4.023 -0.393 1
1 718 . 14 1 1 A 74 74 VAL CA C 74 63.679 63.650 0.029 1
1 719 . 14 1 1 A 74 74 VAL CB C 74 31.206 31.852 -0.646 1
1 722 . 14 1 1 A 74 74 VAL N N 74 117.660 122.044 -4.384 1
1 723 . 14 1 1 A 75 75 GLN H H 75 6.431 8.131 -1.700 1
1 724 . 14 1 1 A 75 75 GLN HA H 75 3.598 4.192 -0.594 1
1 731 . 14 1 1 A 75 75 GLN CA C 75 58.343 55.205 3.138 1
1 732 . 14 1 1 A 75 75 GLN CB C 75 28.747 27.932 0.815 1
1 734 . 14 1 1 A 75 75 GLN N N 75 116.376 117.542 -1.166 1
1 736 . 14 1 1 A 76 76 GLY H H 76 8.577 7.565 1.012 1
1 737 . 14 1 1 A 76 76 GLY HA2 H 76 3.647 4.091 -0.444 1
1 738 . 14 1 1 A 76 76 GLY HA3 H 76 4.510 4.098 0.412 1
1 739 . 14 1 1 A 76 76 GLY CA C 76 45.092 45.558 -0.466 1
1 740 . 14 1 1 A 76 76 GLY N N 76 111.539 109.053 2.486 1
1 741 . 14 1 1 A 77 77 MET H H 77 7.609 7.613 -0.004 1
1 742 . 14 1 1 A 77 77 MET HA H 77 3.948 4.397 -0.449 1
1 747 . 14 1 1 A 77 77 MET CA C 77 58.260 55.559 2.701 1
1 748 . 14 1 1 A 77 77 MET CB C 77 34.641 33.313 1.328 1
1 750 . 14 1 1 A 77 77 MET N N 77 119.140 119.131 0.009 1
1 751 . 14 1 1 A 78 78 LYS H H 78 8.348 8.720 -0.372 1
1 752 . 14 1 1 A 78 78 LYS HA H 78 5.015 5.036 -0.021 1
1 761 . 14 1 1 A 78 78 LYS CA C 78 54.136 54.355 -0.219 1
1 762 . 14 1 1 A 78 78 LYS CB C 78 34.944 36.123 -1.179 1
1 766 . 14 1 1 A 78 78 LYS N N 78 119.308 119.285 0.023 1
1 767 . 14 1 1 A 79 79 VAL H H 79 8.622 8.946 -0.324 1
1 768 . 14 1 1 A 79 79 VAL HA H 79 3.160 3.459 -0.299 1
1 776 . 14 1 1 A 79 79 VAL CA C 79 66.585 65.613 0.972 1
1 777 . 14 1 1 A 79 79 VAL CB C 79 31.690 31.378 0.312 1
1 780 . 14 1 1 A 79 79 VAL N N 79 123.215 122.364 0.851 1
1 781 . 14 1 1 A 80 80 GLY H H 80 8.623 8.888 -0.265 1
1 782 . 14 1 1 A 80 80 GLY HA2 H 80 3.901 4.044 -0.143 1
1 783 . 14 1 1 A 80 80 GLY HA3 H 80 4.654 4.048 0.606 1
1 784 . 14 1 1 A 80 80 GLY CA C 80 44.457 45.167 -0.710 1
1 785 . 14 1 1 A 80 80 GLY N N 80 115.910 114.777 1.133 1
1 786 . 14 1 1 A 81 81 GLY H H 81 9.283 8.285 0.998 1
1 787 . 14 1 1 A 81 81 GLY HA2 H 81 3.574 3.956 -0.382 1
1 788 . 14 1 1 A 81 81 GLY HA3 H 81 3.916 3.964 -0.048 1
1 789 . 14 1 1 A 81 81 GLY CA C 81 45.310 45.344 -0.034 1
1 790 . 14 1 1 A 81 81 GLY N N 81 111.030 107.960 3.070 1
1 791 . 14 1 1 A 82 82 VAL H H 82 8.403 8.878 -0.475 1
1 792 . 14 1 1 A 82 82 VAL HA H 82 5.141 5.123 0.018 1
1 800 . 14 1 1 A 82 82 VAL CA C 82 61.633 61.192 0.441 1
1 801 . 14 1 1 A 82 82 VAL CB C 82 34.572 34.207 0.365 1
1 804 . 14 1 1 A 82 82 VAL N N 82 119.626 125.528 -5.902 1
1 805 . 14 1 1 A 83 83 ARG H H 83 9.383 8.933 0.450 1
1 806 . 14 1 1 A 83 83 ARG HA H 83 5.354 5.118 0.236 1
1 813 . 14 1 1 A 83 83 ARG CA C 83 54.577 54.546 0.031 1
1 814 . 14 1 1 A 83 83 ARG CB C 83 35.933 34.151 1.782 1
1 817 . 14 1 1 A 83 83 ARG N N 83 130.545 124.432 6.113 1
1 818 . 14 1 1 A 84 84 ARG H H 84 9.618 8.584 1.034 1
1 819 . 14 1 1 A 84 84 ARG HA H 84 5.650 4.776 0.874 1
1 826 . 14 1 1 A 84 84 ARG CA C 84 54.383 55.498 -1.115 1
1 827 . 14 1 1 A 84 84 ARG CB C 84 32.969 31.235 1.734 1
1 830 . 14 1 1 A 84 84 ARG N N 84 127.552 120.074 7.478 1
1 831 . 14 1 1 A 85 85 LEU H H 85 10.121 9.352 0.769 1
1 832 . 14 1 1 A 85 85 LEU HA H 85 5.232 5.448 -0.216 1
1 842 . 14 1 1 A 85 85 LEU CA C 85 53.442 53.358 0.084 1
1 843 . 14 1 1 A 85 85 LEU CB C 85 45.431 44.011 1.420 1
1 847 . 14 1 1 A 85 85 LEU N N 85 128.946 126.283 2.663 1
1 848 . 14 1 1 A 86 86 THR H H 86 9.594 9.146 0.448 1
1 849 . 14 1 1 A 86 86 THR HA H 86 5.081 5.033 0.048 1
1 854 . 14 1 1 A 86 86 THR CA C 86 63.525 62.297 1.228 1
1 855 . 14 1 1 A 86 86 THR CB C 86 68.690 69.458 -0.768 1
1 857 . 14 1 1 A 86 86 THR N N 86 121.842 120.430 1.412 1
1 858 . 14 1 1 A 87 87 ILE H H 87 10.109 9.156 0.953 1
1 859 . 14 1 1 A 87 87 ILE HA H 87 4.539 4.740 -0.201 1
1 869 . 14 1 1 A 87 87 ILE CA C 87 58.954 58.091 0.863 1
1 870 . 14 1 1 A 87 87 ILE CB C 87 40.704 38.552 2.152 1
1 874 . 14 1 1 A 87 87 ILE N N 87 129.512 128.578 0.934 1
1 875 . 14 1 1 A 88 88 PRO HA H 88 4.981 4.709 0.272 1
1 882 . 14 1 1 A 88 88 PRO CA C 88 61.675 61.781 -0.106 1
1 883 . 14 1 1 A 88 88 PRO CB C 88 30.917 32.608 -1.691 1
1 886 . 14 1 1 A 89 89 PRO HA H 89 4.439 4.330 0.109 1
1 893 . 14 1 1 A 89 89 PRO CA C 89 65.384 65.330 0.054 1
1 894 . 14 1 1 A 89 89 PRO CB C 89 30.913 32.102 -1.189 1
1 897 . 14 1 1 A 90 90 GLN H H 90 9.574 8.900 0.674 1
1 898 . 14 1 1 A 90 90 GLN HA H 90 4.296 4.193 0.103 1
1 905 . 14 1 1 A 90 90 GLN CA C 90 58.441 57.502 0.939 1
1 906 . 14 1 1 A 90 90 GLN CB C 90 26.402 27.392 -0.990 1
1 908 . 14 1 1 A 90 90 GLN N N 90 118.710 115.533 3.177 1
1 910 . 14 1 1 A 91 91 LEU H H 91 7.976 7.375 0.601 1
1 911 . 14 1 1 A 91 91 LEU HA H 91 4.636 4.653 -0.017 1
1 921 . 14 1 1 A 91 91 LEU CA C 91 53.625 54.297 -0.672 1
1 922 . 14 1 1 A 91 91 LEU CB C 91 42.819 43.422 -0.603 1
1 926 . 14 1 1 A 91 91 LEU N N 91 119.302 118.739 0.563 1
1 927 . 14 1 1 A 92 92 GLY H H 92 7.717 7.917 -0.200 1
1 928 . 14 1 1 A 92 92 GLY HA2 H 92 3.258 4.166 -0.908 1
1 929 . 14 1 1 A 92 92 GLY HA3 H 92 4.121 4.214 -0.093 1
1 930 . 14 1 1 A 92 92 GLY CA C 92 45.183 45.997 -0.814 1
1 931 . 14 1 1 A 92 92 GLY N N 92 110.415 107.510 2.905 1
1 932 . 14 1 1 A 93 93 TYR H H 93 9.662 8.639 1.023 1
1 933 . 14 1 1 A 93 93 TYR HA H 93 4.513 4.237 0.276 1
1 940 . 14 1 1 A 93 93 TYR CA C 93 58.603 60.998 -2.395 1
1 941 . 14 1 1 A 93 93 TYR CB C 93 37.762 38.924 -1.162 1
1 942 . 14 1 1 A 93 93 TYR N N 93 126.998 122.926 4.072 1
1 943 . 14 1 1 A 94 94 GLY H H 94 8.467 7.936 0.531 1
1 944 . 14 1 1 A 94 94 GLY HA2 H 94 3.633 4.116 -0.483 1
1 945 . 14 1 1 A 94 94 GLY HA3 H 94 3.888 4.126 -0.238 1
1 946 . 14 1 1 A 94 94 GLY CA C 94 47.023 43.711 3.312 1
1 947 . 14 1 1 A 94 94 GLY N N 94 108.486 105.566 2.920 1
1 948 . 14 1 1 A 95 95 ALA H H 95 7.636 8.574 -0.938 1
1 949 . 14 1 1 A 95 95 ALA HA H 95 4.151 4.435 -0.284 1
1 953 . 14 1 1 A 95 95 ALA CA C 95 53.326 52.936 0.390 1
1 954 . 14 1 1 A 95 95 ALA CB C 95 18.831 18.826 0.005 1
1 955 . 14 1 1 A 96 96 ARG H H 96 7.910 7.903 0.007 1
1 956 . 14 1 1 A 96 96 ARG HA H 96 4.227 4.160 0.067 1
1 963 . 14 1 1 A 96 96 ARG CA C 96 57.514 58.119 -0.605 1
1 964 . 14 1 1 A 96 96 ARG CB C 96 31.353 31.015 0.338 1
1 967 . 14 1 1 A 96 96 ARG N N 96 115.669 118.248 -2.579 1
1 968 . 14 1 1 A 97 97 GLY H H 97 6.917 7.907 -0.990 1
1 969 . 14 1 1 A 97 97 GLY HA2 H 97 3.272 4.006 -0.734 1
1 970 . 14 1 1 A 97 97 GLY HA3 H 97 3.908 4.038 -0.130 1
1 971 . 14 1 1 A 97 97 GLY CA C 97 44.693 44.833 -0.140 1
1 972 . 14 1 1 A 97 97 GLY N N 97 103.795 107.379 -3.584 1
1 973 . 14 1 1 A 98 98 ALA H H 98 8.187 8.582 -0.395 1
1 974 . 14 1 1 A 98 98 ALA HA H 98 4.287 4.615 -0.328 1
1 978 . 14 1 1 A 98 98 ALA CA C 98 52.717 52.107 0.610 1
1 979 . 14 1 1 A 98 98 ALA CB C 98 20.563 20.992 -0.429 1
1 980 . 14 1 1 A 98 98 ALA N N 98 118.770 122.025 -3.255 1
1 981 . 14 1 1 A 99 99 GLY H H 99 8.904 7.540 1.364 1
1 982 . 14 1 1 A 99 99 GLY HA2 H 99 3.670 4.066 -0.396 1
1 983 . 14 1 1 A 99 99 GLY HA3 H 99 3.854 4.069 -0.215 1
1 984 . 14 1 1 A 99 99 GLY CA C 99 46.848 45.762 1.086 1
1 985 . 14 1 1 A 99 99 GLY N N 99 109.717 104.115 5.602 1
1 986 . 14 1 1 A 100 100 GLY H H 100 8.759 8.969 -0.210 1
1 987 . 14 1 1 A 100 100 GLY HA2 H 100 3.719 3.824 -0.105 1
1 988 . 14 1 1 A 100 100 GLY HA3 H 100 4.041 3.826 0.215 1
1 989 . 14 1 1 A 100 100 GLY CA C 100 45.655 47.324 -1.669 1
1 990 . 14 1 1 A 100 100 GLY N N 100 110.895 108.232 2.663 1
1 991 . 14 1 1 A 101 101 VAL H H 101 7.631 7.791 -0.160 1
1 992 . 14 1 1 A 101 101 VAL HA H 101 4.226 4.072 0.154 1
1 1000 . 14 1 1 A 101 101 VAL CA C 101 62.518 64.791 -2.273 1
1 1001 . 14 1 1 A 101 101 VAL CB C 101 34.660 31.604 3.056 1
1 1004 . 14 1 1 A 101 101 VAL N N 101 115.165 119.598 -4.433 1
1 1005 . 14 1 1 A 102 102 ILE H H 102 7.686 7.666 0.020 1
1 1006 . 14 1 1 A 102 102 ILE HA H 102 4.351 4.396 -0.045 1
1 1016 . 14 1 1 A 102 102 ILE CA C 102 57.498 58.036 -0.538 1
1 1017 . 14 1 1 A 102 102 ILE CB C 102 38.189 38.527 -0.338 1
1 1021 . 14 1 1 A 102 102 ILE N N 102 120.043 125.052 -5.009 1
1 1022 . 14 1 1 A 103 103 PRO HA H 103 4.727 4.707 0.020 1
1 1029 . 14 1 1 A 103 103 PRO CA C 103 61.614 61.708 -0.094 1
1 1030 . 14 1 1 A 103 103 PRO CB C 103 31.055 32.503 -1.448 1
1 1033 . 14 1 1 A 104 104 PRO HA H 104 3.778 4.454 -0.676 1
1 1040 . 14 1 1 A 104 104 PRO CA C 104 63.599 64.696 -1.097 1
1 1041 . 14 1 1 A 104 104 PRO CB C 104 33.183 31.689 1.494 1
1 1044 . 14 1 1 A 105 105 ASN H H 105 8.581 8.567 0.014 1
1 1045 . 14 1 1 A 105 105 ASN HA H 105 3.928 4.819 -0.891 1
1 1050 . 14 1 1 A 105 105 ASN CA C 105 54.447 52.446 2.001 1
1 1051 . 14 1 1 A 105 105 ASN CB C 105 37.280 38.590 -1.310 1
1 1052 . 14 1 1 A 105 105 ASN N N 105 117.269 114.106 3.163 1
1 1054 . 14 1 1 A 106 106 ALA H H 106 7.637 7.182 0.455 1
1 1055 . 14 1 1 A 106 106 ALA HA H 106 4.456 4.359 0.097 1
1 1059 . 14 1 1 A 106 106 ALA CA C 106 52.493 52.338 0.155 1
1 1060 . 14 1 1 A 106 106 ALA CB C 106 20.938 19.785 1.153 1
1 1061 . 14 1 1 A 106 106 ALA N N 106 121.257 122.768 -1.511 1
1 1062 . 14 1 1 A 107 107 THR H H 107 8.492 8.544 -0.052 1
1 1063 . 14 1 1 A 107 107 THR HA H 107 4.781 5.032 -0.251 1
1 1068 . 14 1 1 A 107 107 THR CA C 107 63.319 61.570 1.749 1
1 1069 . 14 1 1 A 107 107 THR CB C 107 69.430 71.245 -1.815 1
1 1071 . 14 1 1 A 107 107 THR N N 107 121.742 116.823 4.919 1
1 1072 . 14 1 1 A 108 108 LEU H H 108 8.900 8.863 0.037 1
1 1073 . 14 1 1 A 108 108 LEU HA H 108 5.132 5.243 -0.111 1
1 1083 . 14 1 1 A 108 108 LEU CA C 108 52.950 53.854 -0.904 1
1 1084 . 14 1 1 A 108 108 LEU CB C 108 46.730 44.582 2.148 1
1 1088 . 14 1 1 A 108 108 LEU N N 108 125.279 125.451 -0.172 1
1 1089 . 14 1 1 A 109 109 VAL H H 109 8.933 8.879 0.054 1
1 1090 . 14 1 1 A 109 109 VAL HA H 109 5.532 4.964 0.568 1
1 1098 . 14 1 1 A 109 109 VAL CA C 109 60.793 61.355 -0.562 1
1 1099 . 14 1 1 A 109 109 VAL CB C 109 34.138 33.530 0.608 1
1 1102 . 14 1 1 A 109 109 VAL N N 109 122.496 124.603 -2.107 1
1 1103 . 14 1 1 A 110 110 PHE H H 110 9.737 9.040 0.697 1
1 1104 . 14 1 1 A 110 110 PHE HA H 110 6.457 5.074 1.383 1
1 1112 . 14 1 1 A 110 110 PHE CA C 110 55.265 56.100 -0.835 1
1 1113 . 14 1 1 A 110 110 PHE CB C 110 44.818 43.101 1.717 1
1 1114 . 14 1 1 A 110 110 PHE N N 110 121.114 123.830 -2.716 1
1 1115 . 14 1 1 A 111 111 GLU H H 111 9.223 8.658 0.565 1
1 1116 . 14 1 1 A 111 111 GLU HA H 111 5.202 4.345 0.857 1
1 1121 . 14 1 1 A 111 111 GLU CA C 111 56.709 55.525 1.184 1
1 1122 . 14 1 1 A 111 111 GLU CB C 111 32.338 29.524 2.814 1
1 1124 . 14 1 1 A 111 111 GLU N N 111 122.210 123.349 -1.139 1
1 1125 . 14 1 1 A 112 112 VAL H H 112 9.269 8.517 0.752 1
1 1126 . 14 1 1 A 112 112 VAL HA H 112 4.796 4.445 0.351 1
1 1134 . 14 1 1 A 112 112 VAL CA C 112 61.127 61.781 -0.654 1
1 1135 . 14 1 1 A 112 112 VAL CB C 112 34.634 32.692 1.942 1
1 1136 . 14 1 1 A 112 112 VAL N N 112 126.195 127.182 -0.987 1
1 1137 . 14 1 1 A 113 113 GLU H H 113 9.545 9.068 0.477 1
1 1138 . 14 1 1 A 113 113 GLU HA H 113 5.483 5.437 0.046 1
1 1143 . 14 1 1 A 113 113 GLU CA C 113 53.159 54.707 -1.548 1
1 1144 . 14 1 1 A 113 113 GLU CB C 113 32.657 31.662 0.995 1
1 1146 . 14 1 1 A 113 113 GLU N N 113 128.111 124.720 3.391 1
1 1147 . 14 1 1 A 114 114 LEU H H 114 8.261 8.614 -0.353 1
1 1148 . 14 1 1 A 114 114 LEU HA H 114 4.634 4.461 0.173 1
1 1158 . 14 1 1 A 114 114 LEU CA C 114 55.217 55.689 -0.472 1
1 1159 . 14 1 1 A 114 114 LEU CB C 114 41.826 42.574 -0.748 1
1 1163 . 14 1 1 A 114 114 LEU N N 114 126.273 127.163 -0.890 1
1 1164 . 14 1 1 A 115 115 LEU H H 115 9.258 8.958 0.300 1
1 1165 . 14 1 1 A 115 115 LEU HA H 115 4.453 4.384 0.069 1
1 1175 . 14 1 1 A 115 115 LEU CA C 115 55.791 56.255 -0.464 1
1 1176 . 14 1 1 A 115 115 LEU CB C 115 42.897 42.398 0.499 1
1 1180 . 14 1 1 A 115 115 LEU N N 115 130.031 128.077 1.954 1
1 1181 . 14 1 1 A 116 116 ASP H H 116 7.748 7.742 0.006 1
1 1182 . 14 1 1 A 116 116 ASP HA H 116 4.672 4.901 -0.229 1
1 1185 . 14 1 1 A 116 116 ASP CA C 116 54.385 53.218 1.167 1
1 1186 . 14 1 1 A 116 116 ASP CB C 116 43.828 44.451 -0.623 1
1 1187 . 14 1 1 A 116 116 ASP N N 116 115.338 114.288 1.050 1
1 1 . 15 1 1 A 3 3 GLY H H 3 8.684 8.512 0.172 1
1 2 . 15 1 1 A 3 3 GLY HA2 H 3 3.959 4.038 -0.079 1
1 3 . 15 1 1 A 3 3 GLY HA3 H 3 3.959 4.041 -0.082 1
1 4 . 15 1 1 A 3 3 GLY N N 3 110.167 110.149 0.018 1
1 5 . 15 1 1 A 4 4 SER H H 4 8.315 8.322 -0.007 1
1 6 . 15 1 1 A 4 4 SER HA H 4 4.468 4.938 -0.470 1
1 9 . 15 1 1 A 4 4 SER CA C 4 58.355 58.550 -0.195 1
1 10 . 15 1 1 A 4 4 SER N N 4 115.851 118.781 -2.930 1
1 11 . 15 1 1 A 5 5 MET H H 5 8.640 8.822 -0.182 1
1 12 . 15 1 1 A 5 5 MET HA H 5 4.554 4.686 -0.132 1
1 17 . 15 1 1 A 5 5 MET CA C 5 55.754 54.513 1.241 1
1 18 . 15 1 1 A 5 5 MET CB C 5 32.870 32.980 -0.110 1
1 20 . 15 1 1 A 5 5 MET N N 5 122.413 125.680 -3.267 1
1 21 . 15 1 1 A 6 6 THR H H 6 8.265 7.823 0.442 1
1 22 . 15 1 1 A 6 6 THR HA H 6 4.296 4.412 -0.116 1
1 27 . 15 1 1 A 6 6 THR CA C 6 62.224 61.110 1.114 1
1 28 . 15 1 1 A 6 6 THR CB C 6 69.806 68.076 1.730 1
1 30 . 15 1 1 A 6 6 THR N N 6 116.270 111.783 4.487 1
1 31 . 15 1 1 A 7 7 VAL H H 7 8.068 8.323 -0.255 1
1 32 . 15 1 1 A 7 7 VAL HA H 7 4.200 4.313 -0.113 1
1 40 . 15 1 1 A 7 7 VAL CA C 7 62.021 62.045 -0.024 1
1 41 . 15 1 1 A 7 7 VAL CB C 7 32.773 32.174 0.599 1
1 44 . 15 1 1 A 7 7 VAL N N 7 124.632 125.387 -0.755 1
1 45 . 15 1 1 A 8 8 VAL H H 8 8.985 8.143 0.842 1
1 46 . 15 1 1 A 8 8 VAL HA H 8 3.872 4.865 -0.993 1
1 54 . 15 1 1 A 8 8 VAL CA C 8 61.848 60.398 1.450 1
1 55 . 15 1 1 A 8 8 VAL CB C 8 33.157 35.826 -2.669 1
1 58 . 15 1 1 A 8 8 VAL N N 8 132.503 127.394 5.109 1
1 59 . 15 1 1 A 9 9 THR H H 9 8.213 8.901 -0.688 1
1 60 . 15 1 1 A 9 9 THR HA H 9 5.250 5.098 0.152 1
1 65 . 15 1 1 A 9 9 THR CA C 9 61.040 61.502 -0.462 1
1 66 . 15 1 1 A 9 9 THR CB C 9 69.773 71.415 -1.642 1
1 68 . 15 1 1 A 9 9 THR N N 9 121.386 122.962 -1.576 1
1 69 . 15 1 1 A 10 10 THR H H 10 9.318 8.938 0.380 1
1 70 . 15 1 1 A 10 10 THR HA H 10 4.693 4.770 -0.077 1
1 75 . 15 1 1 A 10 10 THR CA C 10 60.077 60.180 -0.103 1
1 76 . 15 1 1 A 10 10 THR CB C 10 70.131 71.531 -1.400 1
1 78 . 15 1 1 A 10 10 THR N N 10 119.882 116.682 3.200 1
1 79 . 15 1 1 A 11 11 GLU H H 11 9.051 9.153 -0.102 1
1 80 . 15 1 1 A 11 11 GLU HA H 11 4.028 3.978 0.050 1
1 85 . 15 1 1 A 11 11 GLU CA C 11 59.072 59.465 -0.393 1
1 86 . 15 1 1 A 11 11 GLU CB C 11 29.516 29.126 0.390 1
1 88 . 15 1 1 A 11 11 GLU N N 11 120.586 122.960 -2.374 1
1 89 . 15 1 1 A 12 12 SER H H 12 8.445 7.819 0.626 1
1 90 . 15 1 1 A 12 12 SER HA H 12 4.302 4.424 -0.122 1
1 93 . 15 1 1 A 12 12 SER CA C 12 58.483 59.518 -1.035 1
1 94 . 15 1 1 A 12 12 SER CB C 12 63.034 63.352 -0.318 1
1 95 . 15 1 1 A 12 12 SER N N 12 114.574 112.595 1.979 1
1 96 . 15 1 1 A 13 13 GLY H H 13 7.798 8.396 -0.598 1
1 97 . 15 1 1 A 13 13 GLY HA2 H 13 3.425 4.073 -0.648 1
1 98 . 15 1 1 A 13 13 GLY HA3 H 13 4.401 4.074 0.327 1
1 99 . 15 1 1 A 13 13 GLY CA C 13 44.276 45.141 -0.865 1
1 100 . 15 1 1 A 13 13 GLY N N 13 109.024 108.181 0.843 1
1 101 . 15 1 1 A 14 14 LEU H H 14 7.501 7.849 -0.348 1
1 102 . 15 1 1 A 14 14 LEU HA H 14 3.967 4.753 -0.786 1
1 112 . 15 1 1 A 14 14 LEU CA C 14 56.343 55.246 1.097 1
1 113 . 15 1 1 A 14 14 LEU CB C 14 41.856 42.621 -0.765 1
1 117 . 15 1 1 A 14 14 LEU N N 14 123.870 123.129 0.741 1
1 118 . 15 1 1 A 15 15 LYS H H 15 7.812 8.948 -1.136 1
1 119 . 15 1 1 A 15 15 LYS HA H 15 5.942 5.444 0.498 1
1 127 . 15 1 1 A 15 15 LYS CA C 15 54.052 54.175 -0.123 1
1 128 . 15 1 1 A 15 15 LYS CB C 15 36.289 36.712 -0.423 1
1 132 . 15 1 1 A 15 15 LYS N N 15 123.667 122.754 0.913 1
1 133 . 15 1 1 A 16 16 TYR H H 16 9.289 8.979 0.310 1
1 134 . 15 1 1 A 16 16 TYR HA H 16 5.996 5.619 0.377 1
1 141 . 15 1 1 A 16 16 TYR CA C 16 55.784 55.984 -0.200 1
1 142 . 15 1 1 A 16 16 TYR CB C 16 43.297 42.727 0.570 1
1 143 . 15 1 1 A 16 16 TYR N N 16 117.890 117.279 0.611 1
1 144 . 15 1 1 A 17 17 GLU H H 17 8.728 8.883 -0.155 1
1 145 . 15 1 1 A 17 17 GLU HA H 17 4.860 4.628 0.232 1
1 150 . 15 1 1 A 17 17 GLU CA C 17 54.072 55.066 -0.994 1
1 151 . 15 1 1 A 17 17 GLU CB C 17 35.222 33.541 1.681 1
1 152 . 15 1 1 A 17 17 GLU N N 17 118.386 120.604 -2.218 1
1 153 . 15 1 1 A 18 18 ASP H H 18 9.596 8.938 0.658 1
1 154 . 15 1 1 A 18 18 ASP HA H 18 5.296 4.768 0.528 1
1 157 . 15 1 1 A 18 18 ASP CA C 18 55.695 54.840 0.855 1
1 158 . 15 1 1 A 18 18 ASP CB C 18 40.940 41.336 -0.396 1
1 159 . 15 1 1 A 18 18 ASP N N 18 127.059 126.197 0.862 1
1 160 . 15 1 1 A 19 19 LEU H H 19 8.609 9.106 -0.497 1
1 161 . 15 1 1 A 19 19 LEU HA H 19 4.275 4.544 -0.269 1
1 171 . 15 1 1 A 19 19 LEU CA C 19 56.923 55.871 1.052 1
1 172 . 15 1 1 A 19 19 LEU CB C 19 41.074 43.548 -2.474 1
1 176 . 15 1 1 A 19 19 LEU N N 19 128.620 124.431 4.189 1
1 177 . 15 1 1 A 20 20 THR H H 20 8.136 8.053 0.083 1
1 178 . 15 1 1 A 20 20 THR HA H 20 4.400 4.828 -0.428 1
1 183 . 15 1 1 A 20 20 THR CA C 20 61.835 61.348 0.487 1
1 184 . 15 1 1 A 20 20 THR CB C 20 72.411 71.813 0.598 1
1 186 . 15 1 1 A 20 20 THR N N 20 112.473 111.570 0.903 1
1 187 . 15 1 1 A 21 21 GLU H H 21 9.354 8.853 0.501 1
1 188 . 15 1 1 A 21 21 GLU HA H 21 4.370 4.351 0.019 1
1 193 . 15 1 1 A 21 21 GLU CA C 21 56.277 57.379 -1.102 1
1 194 . 15 1 1 A 21 21 GLU CB C 21 30.368 30.921 -0.553 1
1 196 . 15 1 1 A 21 21 GLU N N 21 130.043 127.503 2.540 1
1 197 . 15 1 1 A 22 22 GLY H H 22 9.071 8.492 0.579 1
1 198 . 15 1 1 A 22 22 GLY HA2 H 22 3.446 4.117 -0.671 1
1 199 . 15 1 1 A 22 22 GLY HA3 H 22 3.742 4.118 -0.376 1
1 200 . 15 1 1 A 22 22 GLY CA C 22 45.343 45.740 -0.397 1
1 201 . 15 1 1 A 22 22 GLY N N 22 113.930 112.202 1.728 1
1 202 . 15 1 1 A 23 23 SER H H 23 8.040 8.261 -0.221 1
1 203 . 15 1 1 A 23 23 SER HA H 23 4.671 4.122 0.549 1
1 206 . 15 1 1 A 23 23 SER CA C 23 57.488 59.130 -1.642 1
1 207 . 15 1 1 A 23 23 SER CB C 23 65.069 61.578 3.491 1
1 208 . 15 1 1 A 23 23 SER N N 23 111.747 114.804 -3.057 1
1 209 . 15 1 1 A 24 24 GLY H H 24 8.418 8.183 0.235 1
1 210 . 15 1 1 A 24 24 GLY HA2 H 24 3.693 4.113 -0.420 1
1 211 . 15 1 1 A 24 24 GLY HA3 H 24 4.328 4.113 0.215 1
1 212 . 15 1 1 A 24 24 GLY CA C 24 44.138 45.329 -1.191 1
1 213 . 15 1 1 A 24 24 GLY N N 24 111.391 106.932 4.459 1
1 214 . 15 1 1 A 25 25 ALA H H 25 8.342 8.385 -0.043 1
1 215 . 15 1 1 A 25 25 ALA HA H 25 4.061 5.156 -1.095 1
1 219 . 15 1 1 A 25 25 ALA CA C 25 52.551 51.077 1.474 1
1 220 . 15 1 1 A 25 25 ALA CB C 25 19.752 22.922 -3.170 1
1 221 . 15 1 1 A 25 25 ALA N N 25 123.675 124.923 -1.248 1
1 222 . 15 1 1 A 26 26 GLU H H 26 8.194 8.518 -0.324 1
1 223 . 15 1 1 A 26 26 GLU HA H 26 4.498 4.655 -0.157 1
1 228 . 15 1 1 A 26 26 GLU CA C 26 55.174 56.714 -1.540 1
1 229 . 15 1 1 A 26 26 GLU CB C 26 31.906 29.989 1.917 1
1 231 . 15 1 1 A 26 26 GLU N N 26 119.186 122.598 -3.412 1
1 232 . 15 1 1 A 27 27 ALA H H 27 8.930 8.162 0.768 1
1 233 . 15 1 1 A 27 27 ALA HA H 27 4.527 4.265 0.262 1
1 237 . 15 1 1 A 27 27 ALA CA C 27 51.815 52.935 -1.120 1
1 238 . 15 1 1 A 27 27 ALA CB C 27 19.057 19.394 -0.337 1
1 239 . 15 1 1 A 27 27 ALA N N 27 127.513 127.676 -0.163 1
1 240 . 15 1 1 A 28 28 ARG H H 28 8.348 8.682 -0.334 1
1 241 . 15 1 1 A 28 28 ARG HA H 28 4.563 4.902 -0.339 1
1 246 . 15 1 1 A 28 28 ARG CA C 28 53.584 54.102 -0.518 1
1 247 . 15 1 1 A 28 28 ARG CB C 28 33.571 33.631 -0.060 1
1 250 . 15 1 1 A 28 28 ARG N N 28 124.054 120.271 3.783 1
1 251 . 15 1 1 A 29 29 ALA H H 29 8.387 8.610 -0.223 1
1 252 . 15 1 1 A 29 29 ALA HA H 29 3.594 3.900 -0.306 1
1 256 . 15 1 1 A 29 29 ALA CA C 29 53.535 53.879 -0.344 1
1 257 . 15 1 1 A 29 29 ALA CB C 29 17.781 18.411 -0.630 1
1 258 . 15 1 1 A 29 29 ALA N N 29 122.289 126.450 -4.161 1
1 259 . 15 1 1 A 30 30 GLY H H 30 9.043 9.049 -0.006 1
1 260 . 15 1 1 A 30 30 GLY HA2 H 30 3.451 3.995 -0.544 1
1 261 . 15 1 1 A 30 30 GLY HA3 H 30 4.378 3.998 0.380 1
1 262 . 15 1 1 A 30 30 GLY CA C 30 44.562 45.056 -0.494 1
1 263 . 15 1 1 A 30 30 GLY N N 30 110.956 111.086 -0.130 1
1 264 . 15 1 1 A 31 31 GLN H H 31 7.620 7.627 -0.007 1
1 265 . 15 1 1 A 31 31 GLN HA H 31 4.343 4.600 -0.257 1
1 272 . 15 1 1 A 31 31 GLN CA C 31 55.410 54.772 0.638 1
1 273 . 15 1 1 A 31 31 GLN CB C 31 30.151 30.405 -0.254 1
1 275 . 15 1 1 A 31 31 GLN N N 31 119.756 118.775 0.981 1
1 277 . 15 1 1 A 32 32 THR H H 32 8.793 8.492 0.301 1
1 278 . 15 1 1 A 32 32 THR HA H 32 4.463 4.864 -0.401 1
1 283 . 15 1 1 A 32 32 THR CA C 32 63.072 62.678 0.394 1
1 284 . 15 1 1 A 32 32 THR CB C 32 68.380 69.891 -1.511 1
1 286 . 15 1 1 A 32 32 THR N N 32 119.718 119.245 0.473 1
1 287 . 15 1 1 A 33 33 VAL H H 33 8.393 8.693 -0.300 1
1 288 . 15 1 1 A 33 33 VAL HA H 33 4.712 4.933 -0.221 1
1 296 . 15 1 1 A 33 33 VAL CA C 33 58.274 59.226 -0.952 1
1 297 . 15 1 1 A 33 33 VAL CB C 33 33.309 36.253 -2.944 1
1 300 . 15 1 1 A 33 33 VAL N N 33 120.513 119.804 0.709 1
1 301 . 15 1 1 A 34 34 SER H H 34 7.865 8.567 -0.702 1
1 302 . 15 1 1 A 34 34 SER HA H 34 5.262 5.574 -0.312 1
1 305 . 15 1 1 A 34 34 SER CA C 34 56.443 57.731 -1.288 1
1 306 . 15 1 1 A 34 34 SER CB C 34 64.882 64.450 0.432 1
1 307 . 15 1 1 A 34 34 SER N N 34 113.652 117.937 -4.285 1
1 308 . 15 1 1 A 35 35 VAL H H 35 9.531 9.444 0.087 1
1 309 . 15 1 1 A 35 35 VAL HA H 35 5.715 5.258 0.457 1
1 317 . 15 1 1 A 35 35 VAL CA C 35 58.226 58.997 -0.771 1
1 318 . 15 1 1 A 35 35 VAL CB C 35 35.412 36.123 -0.711 1
1 321 . 15 1 1 A 35 35 VAL N N 35 117.985 119.776 -1.791 1
1 322 . 15 1 1 A 36 36 HIS H H 36 8.812 9.010 -0.198 1
1 323 . 15 1 1 A 36 36 HIS HA H 36 5.784 5.571 0.213 1
1 328 . 15 1 1 A 36 36 HIS CA C 36 54.671 53.880 0.791 1
1 329 . 15 1 1 A 36 36 HIS CB C 36 35.786 32.184 3.602 1
1 330 . 15 1 1 A 36 36 HIS N N 36 118.227 120.010 -1.783 1
1 331 . 15 1 1 A 37 37 TYR H H 37 9.680 8.746 0.934 1
1 332 . 15 1 1 A 37 37 TYR HA H 37 6.201 5.871 0.330 1
1 339 . 15 1 1 A 37 37 TYR CA C 37 56.280 55.373 0.907 1
1 340 . 15 1 1 A 37 37 TYR CB C 37 43.791 41.202 2.589 1
1 341 . 15 1 1 A 37 37 TYR N N 37 116.878 119.922 -3.044 1
1 342 . 15 1 1 A 38 38 THR H H 38 8.478 8.696 -0.218 1
1 343 . 15 1 1 A 38 38 THR HA H 38 4.374 4.690 -0.316 1
1 348 . 15 1 1 A 38 38 THR CA C 38 62.692 60.185 2.507 1
1 349 . 15 1 1 A 38 38 THR CB C 38 71.675 70.259 1.416 1
1 351 . 15 1 1 A 38 38 THR N N 38 117.172 118.180 -1.008 1
1 352 . 15 1 1 A 39 39 GLY H H 39 8.332 8.609 -0.277 1
1 353 . 15 1 1 A 39 39 GLY HA2 H 39 1.943 2.477 -0.534 1
1 354 . 15 1 1 A 39 39 GLY HA3 H 39 4.624 3.342 1.282 1
1 355 . 15 1 1 A 39 39 GLY CA C 39 44.767 45.150 -0.383 1
1 356 . 15 1 1 A 39 39 GLY N N 39 113.042 112.801 0.241 1
1 357 . 15 1 1 A 40 40 TRP H H 40 9.669 8.735 0.934 1
1 358 . 15 1 1 A 40 40 TRP HA H 40 5.499 5.360 0.139 1
1 366 . 15 1 1 A 40 40 TRP CA C 40 57.026 56.017 1.009 1
1 367 . 15 1 1 A 40 40 TRP CB C 40 34.177 32.288 1.889 1
1 368 . 15 1 1 A 40 40 TRP N N 40 123.550 125.621 -2.071 1
1 370 . 15 1 1 A 41 41 LEU H H 41 8.699 9.138 -0.439 1
1 371 . 15 1 1 A 41 41 LEU HA H 41 5.056 4.766 0.290 1
1 381 . 15 1 1 A 41 41 LEU CA C 41 54.040 53.670 0.370 1
1 382 . 15 1 1 A 41 41 LEU CB C 41 41.981 42.766 -0.785 1
1 386 . 15 1 1 A 41 41 LEU N N 41 119.318 123.800 -4.482 1
1 387 . 15 1 1 A 42 42 THR H H 42 9.418 8.913 0.505 1
1 388 . 15 1 1 A 42 42 THR HA H 42 3.962 4.045 -0.083 1
1 393 . 15 1 1 A 42 42 THR CA C 42 65.117 64.911 0.206 1
1 394 . 15 1 1 A 42 42 THR CB C 42 68.693 68.491 0.202 1
1 396 . 15 1 1 A 42 42 THR N N 42 112.465 117.470 -5.005 1
1 397 . 15 1 1 A 43 43 ASP H H 43 7.690 7.945 -0.255 1
1 398 . 15 1 1 A 43 43 ASP HA H 43 4.538 4.567 -0.029 1
1 401 . 15 1 1 A 43 43 ASP CA C 43 53.655 54.187 -0.532 1
1 402 . 15 1 1 A 43 43 ASP CB C 43 40.109 41.122 -1.013 1
1 403 . 15 1 1 A 43 43 ASP N N 43 118.952 120.179 -1.227 1
1 404 . 15 1 1 A 44 44 GLY H H 44 8.043 8.109 -0.066 1
1 405 . 15 1 1 A 44 44 GLY HA2 H 44 3.521 3.942 -0.421 1
1 406 . 15 1 1 A 44 44 GLY HA3 H 44 4.318 3.944 0.374 1
1 407 . 15 1 1 A 44 44 GLY CA C 44 44.869 45.057 -0.188 1
1 408 . 15 1 1 A 44 44 GLY N N 44 107.790 106.086 1.704 1
1 409 . 15 1 1 A 45 45 GLN H H 45 8.355 7.830 0.525 1
1 410 . 15 1 1 A 45 45 GLN HA H 45 4.319 4.303 0.016 1
1 417 . 15 1 1 A 45 45 GLN CA C 45 56.909 55.527 1.382 1
1 418 . 15 1 1 A 45 45 GLN CB C 45 29.837 29.628 0.209 1
1 420 . 15 1 1 A 45 45 GLN N N 45 121.541 120.264 1.277 1
1 422 . 15 1 1 A 46 46 LYS H H 46 8.915 8.435 0.480 1
1 423 . 15 1 1 A 46 46 LYS HA H 46 4.454 5.067 -0.613 1
1 432 . 15 1 1 A 46 46 LYS CA C 46 55.782 55.570 0.212 1
1 433 . 15 1 1 A 46 46 LYS CB C 46 33.097 34.005 -0.908 1
1 437 . 15 1 1 A 46 46 LYS N N 46 129.310 120.868 8.442 1
1 438 . 15 1 1 A 47 47 PHE H H 47 8.440 9.021 -0.581 1
1 439 . 15 1 1 A 47 47 PHE HA H 47 5.103 4.998 0.105 1
1 447 . 15 1 1 A 47 47 PHE CA C 47 56.272 56.599 -0.327 1
1 448 . 15 1 1 A 47 47 PHE CB C 47 41.094 40.672 0.422 1
1 449 . 15 1 1 A 47 47 PHE N N 47 122.874 116.334 6.540 1
1 450 . 15 1 1 A 48 48 ASP H H 48 6.744 7.666 -0.922 1
1 451 . 15 1 1 A 48 48 ASP HA H 48 4.790 4.874 -0.084 1
1 454 . 15 1 1 A 48 48 ASP CA C 48 54.518 53.955 0.563 1
1 455 . 15 1 1 A 48 48 ASP CB C 48 43.929 44.613 -0.684 1
1 456 . 15 1 1 A 48 48 ASP N N 48 118.152 118.480 -0.328 1
1 457 . 15 1 1 A 49 49 SER H H 49 8.122 8.890 -0.768 1
1 458 . 15 1 1 A 49 49 SER HA H 49 4.608 4.911 -0.303 1
1 461 . 15 1 1 A 49 49 SER CA C 49 56.963 57.454 -0.491 1
1 462 . 15 1 1 A 49 49 SER CB C 49 64.699 66.504 -1.805 1
1 463 . 15 1 1 A 49 49 SER N N 49 117.585 118.589 -1.004 1
1 464 . 15 1 1 A 50 50 SER H H 50 8.020 8.975 -0.955 1
1 465 . 15 1 1 A 50 50 SER HA H 50 4.045 4.053 -0.008 1
1 468 . 15 1 1 A 50 50 SER CA C 50 61.482 61.088 0.394 1
1 469 . 15 1 1 A 50 50 SER CB C 50 61.488 62.854 -1.366 1
1 470 . 15 1 1 A 50 50 SER N N 50 124.801 119.722 5.079 1
1 471 . 15 1 1 A 51 51 LYS H H 51 7.730 8.415 -0.685 1
1 472 . 15 1 1 A 51 51 LYS HA H 51 3.505 4.084 -0.579 1
1 481 . 15 1 1 A 51 51 LYS CA C 51 58.921 59.081 -0.160 1
1 482 . 15 1 1 A 51 51 LYS CB C 51 31.346 31.572 -0.226 1
1 486 . 15 1 1 A 51 51 LYS N N 51 124.103 120.431 3.672 1
1 487 . 15 1 1 A 52 52 ASP H H 52 7.324 7.863 -0.539 1
1 488 . 15 1 1 A 52 52 ASP HA H 52 4.284 4.435 -0.151 1
1 491 . 15 1 1 A 52 52 ASP CA C 52 56.524 57.100 -0.576 1
1 492 . 15 1 1 A 52 52 ASP CB C 52 40.201 41.559 -1.358 1
1 493 . 15 1 1 A 52 52 ASP N N 52 118.971 120.134 -1.163 1
1 494 . 15 1 1 A 53 53 ARG H H 53 6.923 7.879 -0.956 1
1 495 . 15 1 1 A 53 53 ARG HA H 53 4.461 4.406 0.055 1
1 502 . 15 1 1 A 53 53 ARG CA C 53 55.597 56.607 -1.010 1
1 503 . 15 1 1 A 53 53 ARG CB C 53 31.289 32.195 -0.906 1
1 506 . 15 1 1 A 53 53 ARG N N 53 114.803 115.171 -0.368 1
1 507 . 15 1 1 A 54 54 ASN H H 54 7.827 8.207 -0.380 1
1 508 . 15 1 1 A 54 54 ASN HA H 54 4.352 4.398 -0.046 1
1 513 . 15 1 1 A 54 54 ASN CA C 54 54.339 54.131 0.208 1
1 514 . 15 1 1 A 54 54 ASN CB C 54 37.849 37.147 0.702 1
1 515 . 15 1 1 A 54 54 ASN N N 54 117.421 117.741 -0.320 1
1 517 . 15 1 1 A 55 55 ASP H H 55 7.580 7.971 -0.391 1
1 518 . 15 1 1 A 55 55 ASP HA H 55 5.360 5.034 0.326 1
1 521 . 15 1 1 A 55 55 ASP CA C 55 51.697 50.914 0.783 1
1 522 . 15 1 1 A 55 55 ASP CB C 55 43.377 44.862 -1.485 1
1 523 . 15 1 1 A 55 55 ASP N N 55 115.802 119.702 -3.900 1
1 524 . 15 1 1 A 56 56 PRO HA H 56 4.022 3.857 0.165 1
1 531 . 15 1 1 A 56 56 PRO CA C 56 63.115 62.475 0.640 1
1 532 . 15 1 1 A 56 56 PRO CB C 56 32.348 32.495 -0.147 1
1 535 . 15 1 1 A 57 57 PHE H H 57 9.207 8.379 0.828 1
1 536 . 15 1 1 A 57 57 PHE HA H 57 4.874 4.693 0.181 1
1 544 . 15 1 1 A 57 57 PHE CA C 57 57.290 57.308 -0.018 1
1 545 . 15 1 1 A 57 57 PHE CB C 57 42.517 39.426 3.091 1
1 546 . 15 1 1 A 57 57 PHE N N 57 124.509 123.202 1.307 1
1 547 . 15 1 1 A 58 58 ALA H H 58 7.942 8.804 -0.862 1
1 548 . 15 1 1 A 58 58 ALA HA H 58 5.928 5.507 0.421 1
1 552 . 15 1 1 A 58 58 ALA CA C 58 49.705 50.450 -0.745 1
1 553 . 15 1 1 A 58 58 ALA CB C 58 21.621 21.231 0.390 1
1 554 . 15 1 1 A 58 58 ALA N N 58 130.661 130.041 0.620 1
1 555 . 15 1 1 A 59 59 PHE H H 59 8.455 8.777 -0.322 1
1 556 . 15 1 1 A 59 59 PHE HA H 59 4.660 4.996 -0.336 1
1 564 . 15 1 1 A 59 59 PHE CA C 59 55.610 55.963 -0.353 1
1 565 . 15 1 1 A 59 59 PHE CB C 59 40.857 40.509 0.348 1
1 566 . 15 1 1 A 59 59 PHE N N 59 114.967 117.263 -2.296 1
1 567 . 15 1 1 A 60 60 VAL H H 60 8.168 8.784 -0.616 1
1 568 . 15 1 1 A 60 60 VAL HA H 60 4.084 4.059 0.025 1
1 576 . 15 1 1 A 60 60 VAL CA C 60 61.907 62.476 -0.569 1
1 577 . 15 1 1 A 60 60 VAL CB C 60 31.564 32.042 -0.478 1
1 580 . 15 1 1 A 60 60 VAL N N 60 120.308 120.252 0.056 1
1 581 . 15 1 1 A 61 61 LEU H H 61 8.900 8.386 0.514 1
1 582 . 15 1 1 A 61 61 LEU HA H 61 4.248 3.733 0.515 1
1 592 . 15 1 1 A 61 61 LEU CA C 61 56.558 56.098 0.460 1
1 593 . 15 1 1 A 61 61 LEU CB C 61 41.736 41.863 -0.127 1
1 597 . 15 1 1 A 61 61 LEU N N 61 134.513 129.893 4.620 1
1 598 . 15 1 1 A 62 62 GLY H H 62 9.652 9.127 0.525 1
1 599 . 15 1 1 A 62 62 GLY HA2 H 62 3.558 3.860 -0.302 1
1 600 . 15 1 1 A 62 62 GLY HA3 H 62 4.154 3.895 0.259 1
1 601 . 15 1 1 A 62 62 GLY CA C 62 45.721 46.865 -1.144 1
1 602 . 15 1 1 A 62 62 GLY N N 62 119.352 114.147 5.205 1
1 603 . 15 1 1 A 63 63 GLY H H 63 8.338 8.034 0.304 1
1 604 . 15 1 1 A 63 63 GLY HA2 H 63 3.557 4.100 -0.543 1
1 605 . 15 1 1 A 63 63 GLY HA3 H 63 4.298 4.115 0.183 1
1 606 . 15 1 1 A 63 63 GLY CA C 63 45.442 45.753 -0.311 1
1 607 . 15 1 1 A 63 63 GLY N N 63 107.002 106.599 0.403 1
1 608 . 15 1 1 A 64 64 GLY H H 64 9.301 8.249 1.052 1
1 609 . 15 1 1 A 64 64 GLY HA2 H 64 4.057 4.288 -0.231 1
1 610 . 15 1 1 A 64 64 GLY HA3 H 64 4.057 4.370 -0.313 1
1 611 . 15 1 1 A 64 64 GLY CA C 64 46.425 46.315 0.110 1
1 612 . 15 1 1 A 64 64 GLY N N 64 112.092 109.867 2.225 1
1 613 . 15 1 1 A 65 65 MET H H 65 9.574 8.632 0.942 1
1 614 . 15 1 1 A 65 65 MET HA H 65 4.546 4.777 -0.231 1
1 619 . 15 1 1 A 65 65 MET CA C 65 55.641 54.322 1.319 1
1 620 . 15 1 1 A 65 65 MET CB C 65 33.268 32.619 0.649 1
1 622 . 15 1 1 A 65 65 MET N N 65 118.659 122.794 -4.135 1
1 623 . 15 1 1 A 66 66 VAL H H 66 6.867 8.371 -1.504 1
1 624 . 15 1 1 A 66 66 VAL HA H 66 4.454 4.627 -0.173 1
1 632 . 15 1 1 A 66 66 VAL CA C 66 57.545 58.731 -1.186 1
1 633 . 15 1 1 A 66 66 VAL CB C 66 35.736 35.775 -0.039 1
1 636 . 15 1 1 A 66 66 VAL N N 66 108.649 119.276 -10.627 1
1 637 . 15 1 1 A 67 67 ILE H H 67 7.158 7.918 -0.760 1
1 638 . 15 1 1 A 67 67 ILE HA H 67 3.894 4.174 -0.280 1
1 648 . 15 1 1 A 67 67 ILE CA C 67 62.065 61.128 0.937 1
1 649 . 15 1 1 A 67 67 ILE CB C 67 37.130 39.114 -1.984 1
1 653 . 15 1 1 A 67 67 ILE N N 67 111.614 117.399 -5.785 1
1 654 . 15 1 1 A 68 68 LYS H H 68 9.182 8.932 0.250 1
1 655 . 15 1 1 A 68 68 LYS HA H 68 4.241 3.934 0.307 1
1 664 . 15 1 1 A 68 68 LYS CA C 68 60.042 59.544 0.498 1
1 665 . 15 1 1 A 68 68 LYS CB C 68 33.366 32.273 1.093 1
1 669 . 15 1 1 A 68 68 LYS N N 68 125.685 123.292 2.393 1
1 670 . 15 1 1 A 69 69 GLY H H 69 9.653 8.271 1.382 1
1 671 . 15 1 1 A 69 69 GLY HA2 H 69 3.595 3.832 -0.237 1
1 672 . 15 1 1 A 69 69 GLY HA3 H 69 3.971 3.842 0.129 1
1 673 . 15 1 1 A 69 69 GLY CA C 69 47.597 47.347 0.250 1
1 674 . 15 1 1 A 69 69 GLY N N 69 102.438 106.770 -4.332 1
1 675 . 15 1 1 A 70 70 TRP H H 70 7.745 7.888 -0.143 1
1 676 . 15 1 1 A 70 70 TRP HA H 70 4.152 4.595 -0.443 1
1 684 . 15 1 1 A 70 70 TRP CA C 70 60.737 60.453 0.284 1
1 685 . 15 1 1 A 70 70 TRP CB C 70 29.185 28.075 1.110 1
1 686 . 15 1 1 A 70 70 TRP N N 70 120.118 121.542 -1.424 1
1 687 . 15 1 1 A 71 71 ASP H H 71 7.058 8.475 -1.417 1
1 688 . 15 1 1 A 71 71 ASP HA H 71 4.878 4.277 0.601 1
1 691 . 15 1 1 A 71 71 ASP CA C 71 57.165 57.419 -0.254 1
1 692 . 15 1 1 A 71 71 ASP CB C 71 40.749 39.949 0.800 1
1 693 . 15 1 1 A 71 71 ASP N N 71 120.287 119.126 1.161 1
1 694 . 15 1 1 A 72 72 GLU H H 72 7.856 8.442 -0.586 1
1 695 . 15 1 1 A 72 72 GLU HA H 72 4.120 4.062 0.058 1
1 700 . 15 1 1 A 72 72 GLU CA C 72 58.236 59.208 -0.972 1
1 701 . 15 1 1 A 72 72 GLU CB C 72 30.409 29.329 1.080 1
1 703 . 15 1 1 A 72 72 GLU N N 72 114.126 119.854 -5.728 1
1 704 . 15 1 1 A 73 73 GLY H H 73 7.732 8.020 -0.288 1
1 705 . 15 1 1 A 73 73 GLY HA2 H 73 3.565 3.540 0.025 1
1 706 . 15 1 1 A 73 73 GLY HA3 H 73 3.565 3.555 0.010 1
1 707 . 15 1 1 A 73 73 GLY CA C 73 47.427 47.292 0.135 1
1 708 . 15 1 1 A 73 73 GLY N N 73 104.848 108.006 -3.158 1
1 709 . 15 1 1 A 74 74 VAL H H 74 8.138 8.586 -0.448 1
1 710 . 15 1 1 A 74 74 VAL HA H 74 3.630 3.745 -0.115 1
1 718 . 15 1 1 A 74 74 VAL CA C 74 63.679 65.773 -2.094 1
1 719 . 15 1 1 A 74 74 VAL CB C 74 31.206 31.587 -0.381 1
1 722 . 15 1 1 A 74 74 VAL N N 74 117.660 122.127 -4.467 1
1 723 . 15 1 1 A 75 75 GLN H H 75 6.431 8.257 -1.826 1
1 724 . 15 1 1 A 75 75 GLN HA H 75 3.598 4.192 -0.594 1
1 731 . 15 1 1 A 75 75 GLN CA C 75 58.343 55.891 2.452 1
1 732 . 15 1 1 A 75 75 GLN CB C 75 28.747 27.706 1.041 1
1 734 . 15 1 1 A 75 75 GLN N N 75 116.376 118.322 -1.946 1
1 736 . 15 1 1 A 76 76 GLY H H 76 8.577 7.691 0.886 1
1 737 . 15 1 1 A 76 76 GLY HA2 H 76 3.647 4.030 -0.383 1
1 738 . 15 1 1 A 76 76 GLY HA3 H 76 4.510 4.040 0.470 1
1 739 . 15 1 1 A 76 76 GLY CA C 76 45.092 45.537 -0.445 1
1 740 . 15 1 1 A 76 76 GLY N N 76 111.539 108.906 2.633 1
1 741 . 15 1 1 A 77 77 MET H H 77 7.609 7.544 0.065 1
1 742 . 15 1 1 A 77 77 MET HA H 77 3.948 4.460 -0.512 1
1 747 . 15 1 1 A 77 77 MET CA C 77 58.260 56.288 1.972 1
1 748 . 15 1 1 A 77 77 MET CB C 77 34.641 33.476 1.165 1
1 750 . 15 1 1 A 77 77 MET N N 77 119.140 120.180 -1.040 1
1 751 . 15 1 1 A 78 78 LYS H H 78 8.348 8.676 -0.328 1
1 752 . 15 1 1 A 78 78 LYS HA H 78 5.015 5.054 -0.039 1
1 761 . 15 1 1 A 78 78 LYS CA C 78 54.136 54.290 -0.154 1
1 762 . 15 1 1 A 78 78 LYS CB C 78 34.944 35.273 -0.329 1
1 766 . 15 1 1 A 78 78 LYS N N 78 119.308 120.519 -1.211 1
1 767 . 15 1 1 A 79 79 VAL H H 79 8.622 8.900 -0.278 1
1 768 . 15 1 1 A 79 79 VAL HA H 79 3.160 3.496 -0.336 1
1 776 . 15 1 1 A 79 79 VAL CA C 79 66.585 65.506 1.079 1
1 777 . 15 1 1 A 79 79 VAL CB C 79 31.690 31.325 0.365 1
1 780 . 15 1 1 A 79 79 VAL N N 79 123.215 122.672 0.543 1
1 781 . 15 1 1 A 80 80 GLY H H 80 8.623 8.852 -0.229 1
1 782 . 15 1 1 A 80 80 GLY HA2 H 80 3.901 4.032 -0.131 1
1 783 . 15 1 1 A 80 80 GLY HA3 H 80 4.654 4.039 0.615 1
1 784 . 15 1 1 A 80 80 GLY CA C 80 44.457 45.129 -0.672 1
1 785 . 15 1 1 A 80 80 GLY N N 80 115.910 114.827 1.083 1
1 786 . 15 1 1 A 81 81 GLY H H 81 9.283 8.369 0.914 1
1 787 . 15 1 1 A 81 81 GLY HA2 H 81 3.574 3.994 -0.420 1
1 788 . 15 1 1 A 81 81 GLY HA3 H 81 3.916 3.999 -0.083 1
1 789 . 15 1 1 A 81 81 GLY CA C 81 45.310 45.044 0.266 1
1 790 . 15 1 1 A 81 81 GLY N N 81 111.030 108.193 2.837 1
1 791 . 15 1 1 A 82 82 VAL H H 82 8.403 8.821 -0.418 1
1 792 . 15 1 1 A 82 82 VAL HA H 82 5.141 5.037 0.104 1
1 800 . 15 1 1 A 82 82 VAL CA C 82 61.633 61.265 0.368 1
1 801 . 15 1 1 A 82 82 VAL CB C 82 34.572 34.226 0.346 1
1 804 . 15 1 1 A 82 82 VAL N N 82 119.626 124.435 -4.809 1
1 805 . 15 1 1 A 83 83 ARG H H 83 9.383 8.612 0.771 1
1 806 . 15 1 1 A 83 83 ARG HA H 83 5.354 4.910 0.444 1
1 813 . 15 1 1 A 83 83 ARG CA C 83 54.577 54.348 0.229 1
1 814 . 15 1 1 A 83 83 ARG CB C 83 35.933 34.532 1.401 1
1 817 . 15 1 1 A 83 83 ARG N N 83 130.545 125.636 4.909 1
1 818 . 15 1 1 A 84 84 ARG H H 84 9.618 8.782 0.836 1
1 819 . 15 1 1 A 84 84 ARG HA H 84 5.650 4.906 0.744 1
1 826 . 15 1 1 A 84 84 ARG CA C 84 54.383 55.243 -0.860 1
1 827 . 15 1 1 A 84 84 ARG CB C 84 32.969 31.451 1.518 1
1 830 . 15 1 1 A 84 84 ARG N N 84 127.552 120.995 6.557 1
1 831 . 15 1 1 A 85 85 LEU H H 85 10.121 9.191 0.930 1
1 832 . 15 1 1 A 85 85 LEU HA H 85 5.232 5.483 -0.251 1
1 842 . 15 1 1 A 85 85 LEU CA C 85 53.442 53.515 -0.073 1
1 843 . 15 1 1 A 85 85 LEU CB C 85 45.431 44.678 0.753 1
1 847 . 15 1 1 A 85 85 LEU N N 85 128.946 126.280 2.666 1
1 848 . 15 1 1 A 86 86 THR H H 86 9.594 9.098 0.496 1
1 849 . 15 1 1 A 86 86 THR HA H 86 5.081 4.993 0.088 1
1 854 . 15 1 1 A 86 86 THR CA C 86 63.525 62.270 1.255 1
1 855 . 15 1 1 A 86 86 THR CB C 86 68.690 69.594 -0.904 1
1 857 . 15 1 1 A 86 86 THR N N 86 121.842 120.555 1.287 1
1 858 . 15 1 1 A 87 87 ILE H H 87 10.109 9.087 1.022 1
1 859 . 15 1 1 A 87 87 ILE HA H 87 4.539 4.689 -0.150 1
1 869 . 15 1 1 A 87 87 ILE CA C 87 58.954 57.967 0.987 1
1 870 . 15 1 1 A 87 87 ILE CB C 87 40.704 38.542 2.162 1
1 874 . 15 1 1 A 87 87 ILE N N 87 129.512 128.479 1.033 1
1 875 . 15 1 1 A 88 88 PRO HA H 88 4.981 4.687 0.294 1
1 882 . 15 1 1 A 88 88 PRO CA C 88 61.675 61.835 -0.160 1
1 883 . 15 1 1 A 88 88 PRO CB C 88 30.917 32.579 -1.662 1
1 886 . 15 1 1 A 89 89 PRO HA H 89 4.439 4.218 0.221 1
1 893 . 15 1 1 A 89 89 PRO CA C 89 65.384 65.269 0.115 1
1 894 . 15 1 1 A 89 89 PRO CB C 89 30.913 32.059 -1.146 1
1 897 . 15 1 1 A 90 90 GLN H H 90 9.574 8.902 0.672 1
1 898 . 15 1 1 A 90 90 GLN HA H 90 4.296 4.173 0.123 1
1 905 . 15 1 1 A 90 90 GLN CA C 90 58.441 57.475 0.966 1
1 906 . 15 1 1 A 90 90 GLN CB C 90 26.402 27.324 -0.922 1
1 908 . 15 1 1 A 90 90 GLN N N 90 118.710 115.526 3.184 1
1 910 . 15 1 1 A 91 91 LEU H H 91 7.976 7.276 0.700 1
1 911 . 15 1 1 A 91 91 LEU HA H 91 4.636 4.569 0.067 1
1 921 . 15 1 1 A 91 91 LEU CA C 91 53.625 54.349 -0.724 1
1 922 . 15 1 1 A 91 91 LEU CB C 91 42.819 43.190 -0.371 1
1 926 . 15 1 1 A 91 91 LEU N N 91 119.302 118.672 0.630 1
1 927 . 15 1 1 A 92 92 GLY H H 92 7.717 8.005 -0.288 1
1 928 . 15 1 1 A 92 92 GLY HA2 H 92 3.258 3.920 -0.662 1
1 929 . 15 1 1 A 92 92 GLY HA3 H 92 4.121 4.005 0.116 1
1 930 . 15 1 1 A 92 92 GLY CA C 92 45.183 45.116 0.067 1
1 931 . 15 1 1 A 92 92 GLY N N 92 110.415 108.133 2.282 1
1 932 . 15 1 1 A 93 93 TYR H H 93 9.662 8.183 1.479 1
1 933 . 15 1 1 A 93 93 TYR HA H 93 4.513 4.301 0.212 1
1 940 . 15 1 1 A 93 93 TYR CA C 93 58.603 61.235 -2.632 1
1 941 . 15 1 1 A 93 93 TYR CB C 93 37.762 39.033 -1.271 1
1 942 . 15 1 1 A 93 93 TYR N N 93 126.998 122.154 4.844 1
1 943 . 15 1 1 A 94 94 GLY H H 94 8.467 7.949 0.518 1
1 944 . 15 1 1 A 94 94 GLY HA2 H 94 3.633 4.110 -0.477 1
1 945 . 15 1 1 A 94 94 GLY HA3 H 94 3.888 4.119 -0.231 1
1 946 . 15 1 1 A 94 94 GLY CA C 94 47.023 43.678 3.345 1
1 947 . 15 1 1 A 94 94 GLY N N 94 108.486 105.958 2.528 1
1 948 . 15 1 1 A 95 95 ALA H H 95 7.636 8.591 -0.955 1
1 949 . 15 1 1 A 95 95 ALA HA H 95 4.151 4.230 -0.079 1
1 953 . 15 1 1 A 95 95 ALA CA C 95 53.326 53.008 0.318 1
1 954 . 15 1 1 A 95 95 ALA CB C 95 18.831 18.884 -0.053 1
1 955 . 15 1 1 A 96 96 ARG H H 96 7.910 7.843 0.067 1
1 956 . 15 1 1 A 96 96 ARG HA H 96 4.227 4.200 0.027 1
1 963 . 15 1 1 A 96 96 ARG CA C 96 57.514 56.454 1.060 1
1 964 . 15 1 1 A 96 96 ARG CB C 96 31.353 30.321 1.032 1
1 967 . 15 1 1 A 96 96 ARG N N 96 115.669 116.134 -0.465 1
1 968 . 15 1 1 A 97 97 GLY H H 97 6.917 7.883 -0.966 1
1 969 . 15 1 1 A 97 97 GLY HA2 H 97 3.272 4.011 -0.739 1
1 970 . 15 1 1 A 97 97 GLY HA3 H 97 3.908 4.036 -0.128 1
1 971 . 15 1 1 A 97 97 GLY CA C 97 44.693 44.837 -0.144 1
1 972 . 15 1 1 A 97 97 GLY N N 97 103.795 107.479 -3.684 1
1 973 . 15 1 1 A 98 98 ALA H H 98 8.187 8.280 -0.093 1
1 974 . 15 1 1 A 98 98 ALA HA H 98 4.287 4.389 -0.102 1
1 978 . 15 1 1 A 98 98 ALA CA C 98 52.717 53.042 -0.325 1
1 979 . 15 1 1 A 98 98 ALA CB C 98 20.563 19.763 0.800 1
1 980 . 15 1 1 A 98 98 ALA N N 98 118.770 120.168 -1.398 1
1 981 . 15 1 1 A 99 99 GLY H H 99 8.904 8.085 0.819 1
1 982 . 15 1 1 A 99 99 GLY HA2 H 99 3.670 4.105 -0.435 1
1 983 . 15 1 1 A 99 99 GLY HA3 H 99 3.854 4.111 -0.257 1
1 984 . 15 1 1 A 99 99 GLY CA C 99 46.848 44.424 2.424 1
1 985 . 15 1 1 A 99 99 GLY N N 99 109.717 106.312 3.405 1
1 986 . 15 1 1 A 100 100 GLY H H 100 8.759 8.720 0.039 1
1 987 . 15 1 1 A 100 100 GLY HA2 H 100 3.719 3.784 -0.065 1
1 988 . 15 1 1 A 100 100 GLY HA3 H 100 4.041 3.784 0.257 1
1 989 . 15 1 1 A 100 100 GLY CA C 100 45.655 46.930 -1.275 1
1 990 . 15 1 1 A 100 100 GLY N N 100 110.895 109.787 1.108 1
1 991 . 15 1 1 A 101 101 VAL H H 101 7.631 7.477 0.154 1
1 992 . 15 1 1 A 101 101 VAL HA H 101 4.226 4.200 0.026 1
1 1000 . 15 1 1 A 101 101 VAL CA C 101 62.518 60.751 1.767 1
1 1001 . 15 1 1 A 101 101 VAL CB C 101 34.660 31.487 3.173 1
1 1004 . 15 1 1 A 101 101 VAL N N 101 115.165 116.086 -0.921 1
1 1005 . 15 1 1 A 102 102 ILE H H 102 7.686 7.510 0.176 1
1 1006 . 15 1 1 A 102 102 ILE HA H 102 4.351 4.659 -0.308 1
1 1016 . 15 1 1 A 102 102 ILE CA C 102 57.498 58.151 -0.653 1
1 1017 . 15 1 1 A 102 102 ILE CB C 102 38.189 39.633 -1.444 1
1 1021 . 15 1 1 A 102 102 ILE N N 102 120.043 122.721 -2.678 1
1 1022 . 15 1 1 A 103 103 PRO HA H 103 4.727 4.713 0.014 1
1 1029 . 15 1 1 A 103 103 PRO CA C 103 61.614 61.698 -0.084 1
1 1030 . 15 1 1 A 103 103 PRO CB C 103 31.055 32.638 -1.583 1
1 1033 . 15 1 1 A 104 104 PRO HA H 104 3.778 4.454 -0.676 1
1 1040 . 15 1 1 A 104 104 PRO CA C 104 63.599 64.750 -1.151 1
1 1041 . 15 1 1 A 104 104 PRO CB C 104 33.183 31.708 1.475 1
1 1044 . 15 1 1 A 105 105 ASN H H 105 8.581 8.231 0.350 1
1 1045 . 15 1 1 A 105 105 ASN HA H 105 3.928 5.052 -1.124 1
1 1050 . 15 1 1 A 105 105 ASN CA C 105 54.447 52.279 2.168 1
1 1051 . 15 1 1 A 105 105 ASN CB C 105 37.280 38.859 -1.579 1
1 1052 . 15 1 1 A 105 105 ASN N N 105 117.269 115.499 1.770 1
1 1054 . 15 1 1 A 106 106 ALA H H 106 7.637 7.167 0.470 1
1 1055 . 15 1 1 A 106 106 ALA HA H 106 4.456 4.347 0.109 1
1 1059 . 15 1 1 A 106 106 ALA CA C 106 52.493 52.359 0.134 1
1 1060 . 15 1 1 A 106 106 ALA CB C 106 20.938 19.600 1.338 1
1 1061 . 15 1 1 A 106 106 ALA N N 106 121.257 122.323 -1.066 1
1 1062 . 15 1 1 A 107 107 THR H H 107 8.492 8.551 -0.059 1
1 1063 . 15 1 1 A 107 107 THR HA H 107 4.781 5.127 -0.346 1
1 1068 . 15 1 1 A 107 107 THR CA C 107 63.319 61.579 1.740 1
1 1069 . 15 1 1 A 107 107 THR CB C 107 69.430 71.697 -2.267 1
1 1071 . 15 1 1 A 107 107 THR N N 107 121.742 116.725 5.017 1
1 1072 . 15 1 1 A 108 108 LEU H H 108 8.900 8.725 0.175 1
1 1073 . 15 1 1 A 108 108 LEU HA H 108 5.132 5.176 -0.044 1
1 1083 . 15 1 1 A 108 108 LEU CA C 108 52.950 53.521 -0.571 1
1 1084 . 15 1 1 A 108 108 LEU CB C 108 46.730 45.473 1.257 1
1 1088 . 15 1 1 A 108 108 LEU N N 108 125.279 125.112 0.167 1
1 1089 . 15 1 1 A 109 109 VAL H H 109 8.933 8.943 -0.010 1
1 1090 . 15 1 1 A 109 109 VAL HA H 109 5.532 4.896 0.636 1
1 1098 . 15 1 1 A 109 109 VAL CA C 109 60.793 61.538 -0.745 1
1 1099 . 15 1 1 A 109 109 VAL CB C 109 34.138 33.286 0.852 1
1 1102 . 15 1 1 A 109 109 VAL N N 109 122.496 124.912 -2.416 1
1 1103 . 15 1 1 A 110 110 PHE H H 110 9.737 9.115 0.622 1
1 1104 . 15 1 1 A 110 110 PHE HA H 110 6.457 5.193 1.264 1
1 1112 . 15 1 1 A 110 110 PHE CA C 110 55.265 56.188 -0.923 1
1 1113 . 15 1 1 A 110 110 PHE CB C 110 44.818 43.198 1.620 1
1 1114 . 15 1 1 A 110 110 PHE N N 110 121.114 123.967 -2.853 1
1 1115 . 15 1 1 A 111 111 GLU H H 111 9.223 8.556 0.667 1
1 1116 . 15 1 1 A 111 111 GLU HA H 111 5.202 4.645 0.557 1
1 1121 . 15 1 1 A 111 111 GLU CA C 111 56.709 55.147 1.562 1
1 1122 . 15 1 1 A 111 111 GLU CB C 111 32.338 31.013 1.325 1
1 1124 . 15 1 1 A 111 111 GLU N N 111 122.210 123.572 -1.362 1
1 1125 . 15 1 1 A 112 112 VAL H H 112 9.269 8.758 0.511 1
1 1126 . 15 1 1 A 112 112 VAL HA H 112 4.796 4.925 -0.129 1
1 1134 . 15 1 1 A 112 112 VAL CA C 112 61.127 61.197 -0.070 1
1 1135 . 15 1 1 A 112 112 VAL CB C 112 34.634 33.211 1.423 1
1 1136 . 15 1 1 A 112 112 VAL N N 112 126.195 126.110 0.085 1
1 1137 . 15 1 1 A 113 113 GLU H H 113 9.545 8.890 0.655 1
1 1138 . 15 1 1 A 113 113 GLU HA H 113 5.483 5.131 0.352 1
1 1143 . 15 1 1 A 113 113 GLU CA C 113 53.159 55.106 -1.947 1
1 1144 . 15 1 1 A 113 113 GLU CB C 113 32.657 31.523 1.134 1
1 1146 . 15 1 1 A 113 113 GLU N N 113 128.111 126.894 1.217 1
1 1147 . 15 1 1 A 114 114 LEU H H 114 8.261 8.587 -0.326 1
1 1148 . 15 1 1 A 114 114 LEU HA H 114 4.634 4.402 0.232 1
1 1158 . 15 1 1 A 114 114 LEU CA C 114 55.217 55.915 -0.698 1
1 1159 . 15 1 1 A 114 114 LEU CB C 114 41.826 42.587 -0.761 1
1 1163 . 15 1 1 A 114 114 LEU N N 114 126.273 127.734 -1.461 1
1 1164 . 15 1 1 A 115 115 LEU H H 115 9.258 8.992 0.266 1
1 1165 . 15 1 1 A 115 115 LEU HA H 115 4.453 4.488 -0.035 1
1 1175 . 15 1 1 A 115 115 LEU CA C 115 55.791 56.032 -0.241 1
1 1176 . 15 1 1 A 115 115 LEU CB C 115 42.897 42.857 0.040 1
1 1180 . 15 1 1 A 115 115 LEU N N 115 130.031 127.846 2.185 1
1 1181 . 15 1 1 A 116 116 ASP H H 116 7.748 7.178 0.570 1
1 1182 . 15 1 1 A 116 116 ASP HA H 116 4.672 4.926 -0.254 1
1 1185 . 15 1 1 A 116 116 ASP CA C 116 54.385 53.643 0.742 1
1 1186 . 15 1 1 A 116 116 ASP CB C 116 43.828 43.941 -0.113 1
1 1187 . 15 1 1 A 116 116 ASP N N 116 115.338 113.853 1.485 1
1 1 . 16 1 1 A 3 3 GLY H H 3 8.684 8.234 0.450 1
1 2 . 16 1 1 A 3 3 GLY HA2 H 3 3.959 4.076 -0.117 1
1 3 . 16 1 1 A 3 3 GLY HA3 H 3 3.959 4.077 -0.118 1
1 4 . 16 1 1 A 3 3 GLY N N 3 110.167 111.100 -0.933 1
1 5 . 16 1 1 A 4 4 SER H H 4 8.315 7.996 0.319 1
1 6 . 16 1 1 A 4 4 SER HA H 4 4.468 4.659 -0.191 1
1 9 . 16 1 1 A 4 4 SER CA C 4 58.355 57.637 0.718 1
1 10 . 16 1 1 A 4 4 SER N N 4 115.851 117.362 -1.511 1
1 11 . 16 1 1 A 5 5 MET H H 5 8.640 8.712 -0.072 1
1 12 . 16 1 1 A 5 5 MET HA H 5 4.554 5.094 -0.540 1
1 17 . 16 1 1 A 5 5 MET CA C 5 55.754 53.838 1.916 1
1 18 . 16 1 1 A 5 5 MET CB C 5 32.870 35.740 -2.870 1
1 20 . 16 1 1 A 5 5 MET N N 5 122.413 120.414 1.999 1
1 21 . 16 1 1 A 6 6 THR H H 6 8.265 8.351 -0.086 1
1 22 . 16 1 1 A 6 6 THR HA H 6 4.296 4.819 -0.523 1
1 27 . 16 1 1 A 6 6 THR CA C 6 62.224 60.940 1.284 1
1 28 . 16 1 1 A 6 6 THR CB C 6 69.806 68.605 1.201 1
1 30 . 16 1 1 A 6 6 THR N N 6 116.270 112.679 3.591 1
1 31 . 16 1 1 A 7 7 VAL H H 7 8.068 8.847 -0.779 1
1 32 . 16 1 1 A 7 7 VAL HA H 7 4.200 4.519 -0.319 1
1 40 . 16 1 1 A 7 7 VAL CA C 7 62.021 61.765 0.256 1
1 41 . 16 1 1 A 7 7 VAL CB C 7 32.773 33.123 -0.350 1
1 44 . 16 1 1 A 7 7 VAL N N 7 124.632 127.296 -2.664 1
1 45 . 16 1 1 A 8 8 VAL H H 8 8.985 8.363 0.622 1
1 46 . 16 1 1 A 8 8 VAL HA H 8 3.872 4.491 -0.619 1
1 54 . 16 1 1 A 8 8 VAL CA C 8 61.848 61.298 0.550 1
1 55 . 16 1 1 A 8 8 VAL CB C 8 33.157 32.940 0.217 1
1 58 . 16 1 1 A 8 8 VAL N N 8 132.503 128.067 4.436 1
1 59 . 16 1 1 A 9 9 THR H H 9 8.213 8.891 -0.678 1
1 60 . 16 1 1 A 9 9 THR HA H 9 5.250 5.060 0.190 1
1 65 . 16 1 1 A 9 9 THR CA C 9 61.040 61.464 -0.424 1
1 66 . 16 1 1 A 9 9 THR CB C 9 69.773 70.988 -1.215 1
1 68 . 16 1 1 A 9 9 THR N N 9 121.386 123.412 -2.026 1
1 69 . 16 1 1 A 10 10 THR H H 10 9.318 8.629 0.689 1
1 70 . 16 1 1 A 10 10 THR HA H 10 4.693 4.869 -0.176 1
1 75 . 16 1 1 A 10 10 THR CA C 10 60.077 60.042 0.035 1
1 76 . 16 1 1 A 10 10 THR CB C 10 70.131 71.962 -1.831 1
1 78 . 16 1 1 A 10 10 THR N N 10 119.882 115.548 4.334 1
1 79 . 16 1 1 A 11 11 GLU H H 11 9.051 9.037 0.014 1
1 80 . 16 1 1 A 11 11 GLU HA H 11 4.028 4.033 -0.005 1
1 85 . 16 1 1 A 11 11 GLU CA C 11 59.072 59.561 -0.489 1
1 86 . 16 1 1 A 11 11 GLU CB C 11 29.516 29.217 0.299 1
1 88 . 16 1 1 A 11 11 GLU N N 11 120.586 122.502 -1.916 1
1 89 . 16 1 1 A 12 12 SER H H 12 8.445 7.751 0.694 1
1 90 . 16 1 1 A 12 12 SER HA H 12 4.302 4.482 -0.180 1
1 93 . 16 1 1 A 12 12 SER CA C 12 58.483 59.224 -0.741 1
1 94 . 16 1 1 A 12 12 SER CB C 12 63.034 63.920 -0.886 1
1 95 . 16 1 1 A 12 12 SER N N 12 114.574 113.667 0.907 1
1 96 . 16 1 1 A 13 13 GLY H H 13 7.798 7.578 0.220 1
1 97 . 16 1 1 A 13 13 GLY HA2 H 13 3.425 4.070 -0.645 1
1 98 . 16 1 1 A 13 13 GLY HA3 H 13 4.401 4.070 0.331 1
1 99 . 16 1 1 A 13 13 GLY CA C 13 44.276 45.412 -1.136 1
1 100 . 16 1 1 A 13 13 GLY N N 13 109.024 108.834 0.190 1
1 101 . 16 1 1 A 14 14 LEU H H 14 7.501 7.858 -0.357 1
1 102 . 16 1 1 A 14 14 LEU HA H 14 3.967 4.358 -0.391 1
1 112 . 16 1 1 A 14 14 LEU CA C 14 56.343 55.893 0.450 1
1 113 . 16 1 1 A 14 14 LEU CB C 14 41.856 42.778 -0.922 1
1 117 . 16 1 1 A 14 14 LEU N N 14 123.870 123.393 0.477 1
1 118 . 16 1 1 A 15 15 LYS H H 15 7.812 8.488 -0.676 1
1 119 . 16 1 1 A 15 15 LYS HA H 15 5.942 5.405 0.537 1
1 127 . 16 1 1 A 15 15 LYS CA C 15 54.052 54.385 -0.333 1
1 128 . 16 1 1 A 15 15 LYS CB C 15 36.289 35.918 0.371 1
1 132 . 16 1 1 A 15 15 LYS N N 15 123.667 125.181 -1.514 1
1 133 . 16 1 1 A 16 16 TYR H H 16 9.289 9.119 0.170 1
1 134 . 16 1 1 A 16 16 TYR HA H 16 5.996 5.446 0.550 1
1 141 . 16 1 1 A 16 16 TYR CA C 16 55.784 56.245 -0.461 1
1 142 . 16 1 1 A 16 16 TYR CB C 16 43.297 41.657 1.640 1
1 143 . 16 1 1 A 16 16 TYR N N 16 117.890 117.783 0.107 1
1 144 . 16 1 1 A 17 17 GLU H H 17 8.728 9.132 -0.404 1
1 145 . 16 1 1 A 17 17 GLU HA H 17 4.860 4.895 -0.035 1
1 150 . 16 1 1 A 17 17 GLU CA C 17 54.072 54.437 -0.365 1
1 151 . 16 1 1 A 17 17 GLU CB C 17 35.222 32.280 2.942 1
1 152 . 16 1 1 A 17 17 GLU N N 17 118.386 120.118 -1.732 1
1 153 . 16 1 1 A 18 18 ASP H H 18 9.596 8.989 0.607 1
1 154 . 16 1 1 A 18 18 ASP HA H 18 5.296 4.645 0.651 1
1 157 . 16 1 1 A 18 18 ASP CA C 18 55.695 54.996 0.699 1
1 158 . 16 1 1 A 18 18 ASP CB C 18 40.940 40.941 -0.001 1
1 159 . 16 1 1 A 18 18 ASP N N 18 127.059 124.643 2.416 1
1 160 . 16 1 1 A 19 19 LEU H H 19 8.609 9.059 -0.450 1
1 161 . 16 1 1 A 19 19 LEU HA H 19 4.275 4.583 -0.308 1
1 171 . 16 1 1 A 19 19 LEU CA C 19 56.923 55.863 1.060 1
1 172 . 16 1 1 A 19 19 LEU CB C 19 41.074 43.973 -2.899 1
1 176 . 16 1 1 A 19 19 LEU N N 19 128.620 124.704 3.916 1
1 177 . 16 1 1 A 20 20 THR H H 20 8.136 8.075 0.061 1
1 178 . 16 1 1 A 20 20 THR HA H 20 4.400 4.768 -0.368 1
1 183 . 16 1 1 A 20 20 THR CA C 20 61.835 61.567 0.268 1
1 184 . 16 1 1 A 20 20 THR CB C 20 72.411 71.452 0.959 1
1 186 . 16 1 1 A 20 20 THR N N 20 112.473 112.000 0.473 1
1 187 . 16 1 1 A 21 21 GLU H H 21 9.354 8.886 0.468 1
1 188 . 16 1 1 A 21 21 GLU HA H 21 4.370 4.269 0.101 1
1 193 . 16 1 1 A 21 21 GLU CA C 21 56.277 57.752 -1.475 1
1 194 . 16 1 1 A 21 21 GLU CB C 21 30.368 30.789 -0.421 1
1 196 . 16 1 1 A 21 21 GLU N N 21 130.043 126.766 3.277 1
1 197 . 16 1 1 A 22 22 GLY H H 22 9.071 8.434 0.637 1
1 198 . 16 1 1 A 22 22 GLY HA2 H 22 3.446 4.166 -0.720 1
1 199 . 16 1 1 A 22 22 GLY HA3 H 22 3.742 4.169 -0.427 1
1 200 . 16 1 1 A 22 22 GLY CA C 22 45.343 45.385 -0.042 1
1 201 . 16 1 1 A 22 22 GLY N N 22 113.930 108.864 5.066 1
1 202 . 16 1 1 A 23 23 SER H H 23 8.040 8.876 -0.836 1
1 203 . 16 1 1 A 23 23 SER HA H 23 4.671 4.670 0.001 1
1 206 . 16 1 1 A 23 23 SER CA C 23 57.488 57.938 -0.450 1
1 207 . 16 1 1 A 23 23 SER CB C 23 65.069 61.389 3.680 1
1 208 . 16 1 1 A 23 23 SER N N 23 111.747 122.536 -10.789 1
1 209 . 16 1 1 A 24 24 GLY H H 24 8.418 8.385 0.033 1
1 210 . 16 1 1 A 24 24 GLY HA2 H 24 3.693 4.103 -0.410 1
1 211 . 16 1 1 A 24 24 GLY HA3 H 24 4.328 4.104 0.224 1
1 212 . 16 1 1 A 24 24 GLY CA C 24 44.138 44.930 -0.792 1
1 213 . 16 1 1 A 24 24 GLY N N 24 111.391 112.814 -1.423 1
1 214 . 16 1 1 A 25 25 ALA H H 25 8.342 8.445 -0.103 1
1 215 . 16 1 1 A 25 25 ALA HA H 25 4.061 5.153 -1.092 1
1 219 . 16 1 1 A 25 25 ALA CA C 25 52.551 51.120 1.431 1
1 220 . 16 1 1 A 25 25 ALA CB C 25 19.752 22.949 -3.197 1
1 221 . 16 1 1 A 25 25 ALA N N 25 123.675 124.932 -1.257 1
1 222 . 16 1 1 A 26 26 GLU H H 26 8.194 8.496 -0.302 1
1 223 . 16 1 1 A 26 26 GLU HA H 26 4.498 4.638 -0.140 1
1 228 . 16 1 1 A 26 26 GLU CA C 26 55.174 56.696 -1.522 1
1 229 . 16 1 1 A 26 26 GLU CB C 26 31.906 30.156 1.750 1
1 231 . 16 1 1 A 26 26 GLU N N 26 119.186 122.412 -3.226 1
1 232 . 16 1 1 A 27 27 ALA H H 27 8.930 8.106 0.824 1
1 233 . 16 1 1 A 27 27 ALA HA H 27 4.527 4.221 0.306 1
1 237 . 16 1 1 A 27 27 ALA CA C 27 51.815 52.926 -1.111 1
1 238 . 16 1 1 A 27 27 ALA CB C 27 19.057 19.282 -0.225 1
1 239 . 16 1 1 A 27 27 ALA N N 27 127.513 126.935 0.578 1
1 240 . 16 1 1 A 28 28 ARG H H 28 8.348 8.838 -0.490 1
1 241 . 16 1 1 A 28 28 ARG HA H 28 4.563 4.812 -0.249 1
1 246 . 16 1 1 A 28 28 ARG CA C 28 53.584 54.049 -0.465 1
1 247 . 16 1 1 A 28 28 ARG CB C 28 33.571 33.664 -0.093 1
1 250 . 16 1 1 A 28 28 ARG N N 28 124.054 119.602 4.452 1
1 251 . 16 1 1 A 29 29 ALA H H 29 8.387 8.613 -0.226 1
1 252 . 16 1 1 A 29 29 ALA HA H 29 3.594 4.070 -0.476 1
1 256 . 16 1 1 A 29 29 ALA CA C 29 53.535 53.945 -0.410 1
1 257 . 16 1 1 A 29 29 ALA CB C 29 17.781 18.299 -0.518 1
1 258 . 16 1 1 A 29 29 ALA N N 29 122.289 126.798 -4.509 1
1 259 . 16 1 1 A 30 30 GLY H H 30 9.043 9.014 0.029 1
1 260 . 16 1 1 A 30 30 GLY HA2 H 30 3.451 4.000 -0.549 1
1 261 . 16 1 1 A 30 30 GLY HA3 H 30 4.378 4.003 0.375 1
1 262 . 16 1 1 A 30 30 GLY CA C 30 44.562 45.119 -0.557 1
1 263 . 16 1 1 A 30 30 GLY N N 30 110.956 111.112 -0.156 1
1 264 . 16 1 1 A 31 31 GLN H H 31 7.620 7.570 0.050 1
1 265 . 16 1 1 A 31 31 GLN HA H 31 4.343 4.652 -0.309 1
1 272 . 16 1 1 A 31 31 GLN CA C 31 55.410 54.916 0.494 1
1 273 . 16 1 1 A 31 31 GLN CB C 31 30.151 30.438 -0.287 1
1 275 . 16 1 1 A 31 31 GLN N N 31 119.756 118.740 1.016 1
1 277 . 16 1 1 A 32 32 THR H H 32 8.793 8.531 0.262 1
1 278 . 16 1 1 A 32 32 THR HA H 32 4.463 4.928 -0.465 1
1 283 . 16 1 1 A 32 32 THR CA C 32 63.072 61.817 1.255 1
1 284 . 16 1 1 A 32 32 THR CB C 32 68.380 70.680 -2.300 1
1 286 . 16 1 1 A 32 32 THR N N 32 119.718 118.400 1.318 1
1 287 . 16 1 1 A 33 33 VAL H H 33 8.393 8.688 -0.295 1
1 288 . 16 1 1 A 33 33 VAL HA H 33 4.712 4.842 -0.130 1
1 296 . 16 1 1 A 33 33 VAL CA C 33 58.274 59.179 -0.905 1
1 297 . 16 1 1 A 33 33 VAL CB C 33 33.309 36.217 -2.908 1
1 300 . 16 1 1 A 33 33 VAL N N 33 120.513 118.242 2.271 1
1 301 . 16 1 1 A 34 34 SER H H 34 7.865 8.872 -1.007 1
1 302 . 16 1 1 A 34 34 SER HA H 34 5.262 5.231 0.031 1
1 305 . 16 1 1 A 34 34 SER CA C 34 56.443 56.827 -0.384 1
1 306 . 16 1 1 A 34 34 SER CB C 34 64.882 64.516 0.366 1
1 307 . 16 1 1 A 34 34 SER N N 34 113.652 118.137 -4.485 1
1 308 . 16 1 1 A 35 35 VAL H H 35 9.531 9.231 0.300 1
1 309 . 16 1 1 A 35 35 VAL HA H 35 5.715 5.199 0.516 1
1 317 . 16 1 1 A 35 35 VAL CA C 35 58.226 59.063 -0.837 1
1 318 . 16 1 1 A 35 35 VAL CB C 35 35.412 36.209 -0.797 1
1 321 . 16 1 1 A 35 35 VAL N N 35 117.985 120.609 -2.624 1
1 322 . 16 1 1 A 36 36 HIS H H 36 8.812 8.948 -0.136 1
1 323 . 16 1 1 A 36 36 HIS HA H 36 5.784 5.660 0.124 1
1 328 . 16 1 1 A 36 36 HIS CA C 36 54.671 53.998 0.673 1
1 329 . 16 1 1 A 36 36 HIS CB C 36 35.786 32.207 3.579 1
1 330 . 16 1 1 A 36 36 HIS N N 36 118.227 119.774 -1.547 1
1 331 . 16 1 1 A 37 37 TYR H H 37 9.680 8.880 0.800 1
1 332 . 16 1 1 A 37 37 TYR HA H 37 6.201 5.992 0.209 1
1 339 . 16 1 1 A 37 37 TYR CA C 37 56.280 55.245 1.035 1
1 340 . 16 1 1 A 37 37 TYR CB C 37 43.791 41.708 2.083 1
1 341 . 16 1 1 A 37 37 TYR N N 37 116.878 119.836 -2.958 1
1 342 . 16 1 1 A 38 38 THR H H 38 8.478 8.591 -0.113 1
1 343 . 16 1 1 A 38 38 THR HA H 38 4.374 4.898 -0.524 1
1 348 . 16 1 1 A 38 38 THR CA C 38 62.692 59.724 2.968 1
1 349 . 16 1 1 A 38 38 THR CB C 38 71.675 72.010 -0.335 1
1 351 . 16 1 1 A 38 38 THR N N 38 117.172 116.436 0.736 1
1 352 . 16 1 1 A 39 39 GLY H H 39 8.332 8.786 -0.454 1
1 353 . 16 1 1 A 39 39 GLY HA2 H 39 1.943 3.546 -1.603 1
1 354 . 16 1 1 A 39 39 GLY HA3 H 39 4.624 3.637 0.987 1
1 355 . 16 1 1 A 39 39 GLY CA C 39 44.767 44.299 0.468 1
1 356 . 16 1 1 A 39 39 GLY N N 39 113.042 111.822 1.220 1
1 357 . 16 1 1 A 40 40 TRP H H 40 9.669 8.781 0.888 1
1 358 . 16 1 1 A 40 40 TRP HA H 40 5.499 5.305 0.194 1
1 366 . 16 1 1 A 40 40 TRP CA C 40 57.026 55.726 1.300 1
1 367 . 16 1 1 A 40 40 TRP CB C 40 34.177 33.483 0.694 1
1 368 . 16 1 1 A 40 40 TRP N N 40 123.550 125.814 -2.264 1
1 370 . 16 1 1 A 41 41 LEU H H 41 8.699 8.881 -0.182 1
1 371 . 16 1 1 A 41 41 LEU HA H 41 5.056 4.827 0.229 1
1 381 . 16 1 1 A 41 41 LEU CA C 41 54.040 53.697 0.343 1
1 382 . 16 1 1 A 41 41 LEU CB C 41 41.981 42.918 -0.937 1
1 386 . 16 1 1 A 41 41 LEU N N 41 119.318 122.998 -3.680 1
1 387 . 16 1 1 A 42 42 THR H H 42 9.418 8.758 0.660 1
1 388 . 16 1 1 A 42 42 THR HA H 42 3.962 4.085 -0.123 1
1 393 . 16 1 1 A 42 42 THR CA C 42 65.117 64.692 0.425 1
1 394 . 16 1 1 A 42 42 THR CB C 42 68.693 68.464 0.229 1
1 396 . 16 1 1 A 42 42 THR N N 42 112.465 116.041 -3.576 1
1 397 . 16 1 1 A 43 43 ASP H H 43 7.690 7.880 -0.190 1
1 398 . 16 1 1 A 43 43 ASP HA H 43 4.538 4.651 -0.113 1
1 401 . 16 1 1 A 43 43 ASP CA C 43 53.655 54.058 -0.403 1
1 402 . 16 1 1 A 43 43 ASP CB C 43 40.109 41.628 -1.519 1
1 403 . 16 1 1 A 43 43 ASP N N 43 118.952 120.052 -1.100 1
1 404 . 16 1 1 A 44 44 GLY H H 44 8.043 7.890 0.153 1
1 405 . 16 1 1 A 44 44 GLY HA2 H 44 3.521 3.952 -0.431 1
1 406 . 16 1 1 A 44 44 GLY HA3 H 44 4.318 3.962 0.356 1
1 407 . 16 1 1 A 44 44 GLY CA C 44 44.869 44.914 -0.045 1
1 408 . 16 1 1 A 44 44 GLY N N 44 107.790 105.964 1.826 1
1 409 . 16 1 1 A 45 45 GLN H H 45 8.355 7.912 0.443 1
1 410 . 16 1 1 A 45 45 GLN HA H 45 4.319 4.416 -0.097 1
1 417 . 16 1 1 A 45 45 GLN CA C 45 56.909 55.095 1.814 1
1 418 . 16 1 1 A 45 45 GLN CB C 45 29.837 29.699 0.138 1
1 420 . 16 1 1 A 45 45 GLN N N 45 121.541 121.555 -0.014 1
1 422 . 16 1 1 A 46 46 LYS H H 46 8.915 8.639 0.276 1
1 423 . 16 1 1 A 46 46 LYS HA H 46 4.454 4.692 -0.238 1
1 432 . 16 1 1 A 46 46 LYS CA C 46 55.782 56.564 -0.782 1
1 433 . 16 1 1 A 46 46 LYS CB C 46 33.097 32.610 0.487 1
1 437 . 16 1 1 A 46 46 LYS N N 46 129.310 127.432 1.878 1
1 438 . 16 1 1 A 47 47 PHE H H 47 8.440 8.914 -0.474 1
1 439 . 16 1 1 A 47 47 PHE HA H 47 5.103 4.927 0.176 1
1 447 . 16 1 1 A 47 47 PHE CA C 47 56.272 56.788 -0.516 1
1 448 . 16 1 1 A 47 47 PHE CB C 47 41.094 40.554 0.540 1
1 449 . 16 1 1 A 47 47 PHE N N 47 122.874 122.305 0.569 1
1 450 . 16 1 1 A 48 48 ASP H H 48 6.744 7.155 -0.411 1
1 451 . 16 1 1 A 48 48 ASP HA H 48 4.790 4.957 -0.167 1
1 454 . 16 1 1 A 48 48 ASP CA C 48 54.518 52.378 2.140 1
1 455 . 16 1 1 A 48 48 ASP CB C 48 43.929 44.765 -0.836 1
1 456 . 16 1 1 A 48 48 ASP N N 48 118.152 118.583 -0.431 1
1 457 . 16 1 1 A 49 49 SER H H 49 8.122 8.569 -0.447 1
1 458 . 16 1 1 A 49 49 SER HA H 49 4.608 4.773 -0.165 1
1 461 . 16 1 1 A 49 49 SER CA C 49 56.963 56.620 0.343 1
1 462 . 16 1 1 A 49 49 SER CB C 49 64.699 66.446 -1.747 1
1 463 . 16 1 1 A 49 49 SER N N 49 117.585 116.076 1.509 1
1 464 . 16 1 1 A 50 50 SER H H 50 8.020 8.293 -0.273 1
1 465 . 16 1 1 A 50 50 SER HA H 50 4.045 3.974 0.071 1
1 468 . 16 1 1 A 50 50 SER CA C 50 61.482 60.999 0.483 1
1 469 . 16 1 1 A 50 50 SER CB C 50 61.488 62.914 -1.426 1
1 470 . 16 1 1 A 50 50 SER N N 50 124.801 118.997 5.804 1
1 471 . 16 1 1 A 51 51 LYS H H 51 7.730 8.356 -0.626 1
1 472 . 16 1 1 A 51 51 LYS HA H 51 3.505 4.102 -0.597 1
1 481 . 16 1 1 A 51 51 LYS CA C 51 58.921 58.789 0.132 1
1 482 . 16 1 1 A 51 51 LYS CB C 51 31.346 31.425 -0.079 1
1 486 . 16 1 1 A 51 51 LYS N N 51 124.103 122.856 1.247 1
1 487 . 16 1 1 A 52 52 ASP H H 52 7.324 8.094 -0.770 1
1 488 . 16 1 1 A 52 52 ASP HA H 52 4.284 4.302 -0.018 1
1 491 . 16 1 1 A 52 52 ASP CA C 52 56.524 57.667 -1.143 1
1 492 . 16 1 1 A 52 52 ASP CB C 52 40.201 41.728 -1.527 1
1 493 . 16 1 1 A 52 52 ASP N N 52 118.971 120.015 -1.044 1
1 494 . 16 1 1 A 53 53 ARG H H 53 6.923 7.353 -0.430 1
1 495 . 16 1 1 A 53 53 ARG HA H 53 4.461 4.422 0.039 1
1 502 . 16 1 1 A 53 53 ARG CA C 53 55.597 57.229 -1.632 1
1 503 . 16 1 1 A 53 53 ARG CB C 53 31.289 30.811 0.478 1
1 506 . 16 1 1 A 53 53 ARG N N 53 114.803 118.269 -3.466 1
1 507 . 16 1 1 A 54 54 ASN H H 54 7.827 7.996 -0.169 1
1 508 . 16 1 1 A 54 54 ASN HA H 54 4.352 4.312 0.040 1
1 513 . 16 1 1 A 54 54 ASN CA C 54 54.339 54.750 -0.411 1
1 514 . 16 1 1 A 54 54 ASN CB C 54 37.849 36.681 1.168 1
1 515 . 16 1 1 A 54 54 ASN N N 54 117.421 116.513 0.908 1
1 517 . 16 1 1 A 55 55 ASP H H 55 7.580 7.869 -0.289 1
1 518 . 16 1 1 A 55 55 ASP HA H 55 5.360 5.079 0.281 1
1 521 . 16 1 1 A 55 55 ASP CA C 55 51.697 51.348 0.349 1
1 522 . 16 1 1 A 55 55 ASP CB C 55 43.377 44.267 -0.890 1
1 523 . 16 1 1 A 55 55 ASP N N 55 115.802 117.743 -1.941 1
1 524 . 16 1 1 A 56 56 PRO HA H 56 4.022 3.582 0.440 1
1 531 . 16 1 1 A 56 56 PRO CA C 56 63.115 62.291 0.824 1
1 532 . 16 1 1 A 56 56 PRO CB C 56 32.348 32.312 0.036 1
1 535 . 16 1 1 A 57 57 PHE H H 57 9.207 8.406 0.801 1
1 536 . 16 1 1 A 57 57 PHE HA H 57 4.874 4.823 0.051 1
1 544 . 16 1 1 A 57 57 PHE CA C 57 57.290 57.314 -0.024 1
1 545 . 16 1 1 A 57 57 PHE CB C 57 42.517 39.768 2.749 1
1 546 . 16 1 1 A 57 57 PHE N N 57 124.509 123.372 1.137 1
1 547 . 16 1 1 A 58 58 ALA H H 58 7.942 8.856 -0.914 1
1 548 . 16 1 1 A 58 58 ALA HA H 58 5.928 5.665 0.263 1
1 552 . 16 1 1 A 58 58 ALA CA C 58 49.705 50.312 -0.607 1
1 553 . 16 1 1 A 58 58 ALA CB C 58 21.621 22.139 -0.518 1
1 554 . 16 1 1 A 58 58 ALA N N 58 130.661 129.993 0.668 1
1 555 . 16 1 1 A 59 59 PHE H H 59 8.455 8.747 -0.292 1
1 556 . 16 1 1 A 59 59 PHE HA H 59 4.660 5.056 -0.396 1
1 564 . 16 1 1 A 59 59 PHE CA C 59 55.610 56.119 -0.509 1
1 565 . 16 1 1 A 59 59 PHE CB C 59 40.857 40.557 0.300 1
1 566 . 16 1 1 A 59 59 PHE N N 59 114.967 116.325 -1.358 1
1 567 . 16 1 1 A 60 60 VAL H H 60 8.168 8.485 -0.317 1
1 568 . 16 1 1 A 60 60 VAL HA H 60 4.084 4.353 -0.269 1
1 576 . 16 1 1 A 60 60 VAL CA C 60 61.907 60.600 1.307 1
1 577 . 16 1 1 A 60 60 VAL CB C 60 31.564 33.643 -2.079 1
1 580 . 16 1 1 A 60 60 VAL N N 60 120.308 120.506 -0.198 1
1 581 . 16 1 1 A 61 61 LEU H H 61 8.900 8.402 0.498 1
1 582 . 16 1 1 A 61 61 LEU HA H 61 4.248 3.942 0.306 1
1 592 . 16 1 1 A 61 61 LEU CA C 61 56.558 55.787 0.771 1
1 593 . 16 1 1 A 61 61 LEU CB C 61 41.736 42.096 -0.360 1
1 597 . 16 1 1 A 61 61 LEU N N 61 134.513 129.592 4.921 1
1 598 . 16 1 1 A 62 62 GLY H H 62 9.652 9.042 0.610 1
1 599 . 16 1 1 A 62 62 GLY HA2 H 62 3.558 3.872 -0.314 1
1 600 . 16 1 1 A 62 62 GLY HA3 H 62 4.154 3.904 0.250 1
1 601 . 16 1 1 A 62 62 GLY CA C 62 45.721 46.632 -0.911 1
1 602 . 16 1 1 A 62 62 GLY N N 62 119.352 115.007 4.345 1
1 603 . 16 1 1 A 63 63 GLY H H 63 8.338 7.962 0.376 1
1 604 . 16 1 1 A 63 63 GLY HA2 H 63 3.557 4.160 -0.603 1
1 605 . 16 1 1 A 63 63 GLY HA3 H 63 4.298 4.172 0.126 1
1 606 . 16 1 1 A 63 63 GLY CA C 63 45.442 45.766 -0.324 1
1 607 . 16 1 1 A 63 63 GLY N N 63 107.002 105.727 1.275 1
1 608 . 16 1 1 A 64 64 GLY H H 64 9.301 8.392 0.909 1
1 609 . 16 1 1 A 64 64 GLY HA2 H 64 4.057 4.121 -0.064 1
1 610 . 16 1 1 A 64 64 GLY HA3 H 64 4.057 4.218 -0.161 1
1 611 . 16 1 1 A 64 64 GLY CA C 64 46.425 44.383 2.042 1
1 612 . 16 1 1 A 64 64 GLY N N 64 112.092 108.624 3.468 1
1 613 . 16 1 1 A 65 65 MET H H 65 9.574 8.509 1.065 1
1 614 . 16 1 1 A 65 65 MET HA H 65 4.546 4.698 -0.152 1
1 619 . 16 1 1 A 65 65 MET CA C 65 55.641 54.153 1.488 1
1 620 . 16 1 1 A 65 65 MET CB C 65 33.268 33.148 0.120 1
1 622 . 16 1 1 A 65 65 MET N N 65 118.659 120.679 -2.020 1
1 623 . 16 1 1 A 66 66 VAL H H 66 6.867 8.088 -1.221 1
1 624 . 16 1 1 A 66 66 VAL HA H 66 4.454 4.588 -0.134 1
1 632 . 16 1 1 A 66 66 VAL CA C 66 57.545 59.287 -1.742 1
1 633 . 16 1 1 A 66 66 VAL CB C 66 35.736 34.937 0.799 1
1 636 . 16 1 1 A 66 66 VAL N N 66 108.649 115.817 -7.168 1
1 637 . 16 1 1 A 67 67 ILE H H 67 7.158 8.070 -0.912 1
1 638 . 16 1 1 A 67 67 ILE HA H 67 3.894 4.369 -0.475 1
1 648 . 16 1 1 A 67 67 ILE CA C 67 62.065 60.336 1.729 1
1 649 . 16 1 1 A 67 67 ILE CB C 67 37.130 40.146 -3.016 1
1 653 . 16 1 1 A 67 67 ILE N N 67 111.614 118.071 -6.457 1
1 654 . 16 1 1 A 68 68 LYS H H 68 9.182 8.969 0.213 1
1 655 . 16 1 1 A 68 68 LYS HA H 68 4.241 3.971 0.270 1
1 664 . 16 1 1 A 68 68 LYS CA C 68 60.042 59.579 0.463 1
1 665 . 16 1 1 A 68 68 LYS CB C 68 33.366 32.302 1.064 1
1 669 . 16 1 1 A 68 68 LYS N N 68 125.685 123.371 2.314 1
1 670 . 16 1 1 A 69 69 GLY H H 69 9.653 8.381 1.272 1
1 671 . 16 1 1 A 69 69 GLY HA2 H 69 3.595 3.862 -0.267 1
1 672 . 16 1 1 A 69 69 GLY HA3 H 69 3.971 3.904 0.067 1
1 673 . 16 1 1 A 69 69 GLY CA C 69 47.597 47.409 0.188 1
1 674 . 16 1 1 A 69 69 GLY N N 69 102.438 106.932 -4.494 1
1 675 . 16 1 1 A 70 70 TRP H H 70 7.745 7.914 -0.169 1
1 676 . 16 1 1 A 70 70 TRP HA H 70 4.152 4.577 -0.425 1
1 684 . 16 1 1 A 70 70 TRP CA C 70 60.737 60.514 0.223 1
1 685 . 16 1 1 A 70 70 TRP CB C 70 29.185 28.279 0.906 1
1 686 . 16 1 1 A 70 70 TRP N N 70 120.118 121.469 -1.351 1
1 687 . 16 1 1 A 71 71 ASP H H 71 7.058 8.422 -1.364 1
1 688 . 16 1 1 A 71 71 ASP HA H 71 4.878 4.411 0.467 1
1 691 . 16 1 1 A 71 71 ASP CA C 71 57.165 57.779 -0.614 1
1 692 . 16 1 1 A 71 71 ASP CB C 71 40.749 42.123 -1.374 1
1 693 . 16 1 1 A 71 71 ASP N N 71 120.287 119.563 0.724 1
1 694 . 16 1 1 A 72 72 GLU H H 72 7.856 8.579 -0.723 1
1 695 . 16 1 1 A 72 72 GLU HA H 72 4.120 4.088 0.032 1
1 700 . 16 1 1 A 72 72 GLU CA C 72 58.236 59.122 -0.886 1
1 701 . 16 1 1 A 72 72 GLU CB C 72 30.409 29.318 1.091 1
1 703 . 16 1 1 A 72 72 GLU N N 72 114.126 118.765 -4.639 1
1 704 . 16 1 1 A 73 73 GLY H H 73 7.732 7.962 -0.230 1
1 705 . 16 1 1 A 73 73 GLY HA2 H 73 3.565 3.556 0.009 1
1 706 . 16 1 1 A 73 73 GLY HA3 H 73 3.565 3.577 -0.012 1
1 707 . 16 1 1 A 73 73 GLY CA C 73 47.427 47.212 0.215 1
1 708 . 16 1 1 A 73 73 GLY N N 73 104.848 108.378 -3.530 1
1 709 . 16 1 1 A 74 74 VAL H H 74 8.138 8.797 -0.659 1
1 710 . 16 1 1 A 74 74 VAL HA H 74 3.630 4.062 -0.432 1
1 718 . 16 1 1 A 74 74 VAL CA C 74 63.679 63.718 -0.039 1
1 719 . 16 1 1 A 74 74 VAL CB C 74 31.206 31.745 -0.539 1
1 722 . 16 1 1 A 74 74 VAL N N 74 117.660 122.160 -4.500 1
1 723 . 16 1 1 A 75 75 GLN H H 75 6.431 8.102 -1.671 1
1 724 . 16 1 1 A 75 75 GLN HA H 75 3.598 4.184 -0.586 1
1 731 . 16 1 1 A 75 75 GLN CA C 75 58.343 55.472 2.871 1
1 732 . 16 1 1 A 75 75 GLN CB C 75 28.747 27.793 0.954 1
1 734 . 16 1 1 A 75 75 GLN N N 75 116.376 117.797 -1.421 1
1 736 . 16 1 1 A 76 76 GLY H H 76 8.577 7.674 0.903 1
1 737 . 16 1 1 A 76 76 GLY HA2 H 76 3.647 4.065 -0.418 1
1 738 . 16 1 1 A 76 76 GLY HA3 H 76 4.510 4.076 0.434 1
1 739 . 16 1 1 A 76 76 GLY CA C 76 45.092 45.561 -0.469 1
1 740 . 16 1 1 A 76 76 GLY N N 76 111.539 109.311 2.228 1
1 741 . 16 1 1 A 77 77 MET H H 77 7.609 7.622 -0.013 1
1 742 . 16 1 1 A 77 77 MET HA H 77 3.948 4.429 -0.481 1
1 747 . 16 1 1 A 77 77 MET CA C 77 58.260 55.747 2.513 1
1 748 . 16 1 1 A 77 77 MET CB C 77 34.641 33.170 1.471 1
1 750 . 16 1 1 A 77 77 MET N N 77 119.140 119.032 0.108 1
1 751 . 16 1 1 A 78 78 LYS H H 78 8.348 8.756 -0.408 1
1 752 . 16 1 1 A 78 78 LYS HA H 78 5.015 5.124 -0.109 1
1 761 . 16 1 1 A 78 78 LYS CA C 78 54.136 54.279 -0.143 1
1 762 . 16 1 1 A 78 78 LYS CB C 78 34.944 35.771 -0.827 1
1 766 . 16 1 1 A 78 78 LYS N N 78 119.308 119.990 -0.682 1
1 767 . 16 1 1 A 79 79 VAL H H 79 8.622 8.885 -0.263 1
1 768 . 16 1 1 A 79 79 VAL HA H 79 3.160 3.491 -0.331 1
1 776 . 16 1 1 A 79 79 VAL CA C 79 66.585 65.520 1.065 1
1 777 . 16 1 1 A 79 79 VAL CB C 79 31.690 31.323 0.367 1
1 780 . 16 1 1 A 79 79 VAL N N 79 123.215 122.230 0.985 1
1 781 . 16 1 1 A 80 80 GLY H H 80 8.623 8.846 -0.223 1
1 782 . 16 1 1 A 80 80 GLY HA2 H 80 3.901 4.047 -0.146 1
1 783 . 16 1 1 A 80 80 GLY HA3 H 80 4.654 4.053 0.601 1
1 784 . 16 1 1 A 80 80 GLY CA C 80 44.457 45.151 -0.694 1
1 785 . 16 1 1 A 80 80 GLY N N 80 115.910 114.683 1.227 1
1 786 . 16 1 1 A 81 81 GLY H H 81 9.283 8.357 0.926 1
1 787 . 16 1 1 A 81 81 GLY HA2 H 81 3.574 3.975 -0.401 1
1 788 . 16 1 1 A 81 81 GLY HA3 H 81 3.916 3.976 -0.060 1
1 789 . 16 1 1 A 81 81 GLY CA C 81 45.310 45.232 0.078 1
1 790 . 16 1 1 A 81 81 GLY N N 81 111.030 108.139 2.891 1
1 791 . 16 1 1 A 82 82 VAL H H 82 8.403 8.869 -0.466 1
1 792 . 16 1 1 A 82 82 VAL HA H 82 5.141 5.047 0.094 1
1 800 . 16 1 1 A 82 82 VAL CA C 82 61.633 61.087 0.546 1
1 801 . 16 1 1 A 82 82 VAL CB C 82 34.572 34.306 0.266 1
1 804 . 16 1 1 A 82 82 VAL N N 82 119.626 124.905 -5.279 1
1 805 . 16 1 1 A 83 83 ARG H H 83 9.383 8.900 0.483 1
1 806 . 16 1 1 A 83 83 ARG HA H 83 5.354 5.092 0.262 1
1 813 . 16 1 1 A 83 83 ARG CA C 83 54.577 54.525 0.052 1
1 814 . 16 1 1 A 83 83 ARG CB C 83 35.933 34.131 1.802 1
1 817 . 16 1 1 A 83 83 ARG N N 83 130.545 124.325 6.220 1
1 818 . 16 1 1 A 84 84 ARG H H 84 9.618 8.541 1.077 1
1 819 . 16 1 1 A 84 84 ARG HA H 84 5.650 4.764 0.886 1
1 826 . 16 1 1 A 84 84 ARG CA C 84 54.383 55.828 -1.445 1
1 827 . 16 1 1 A 84 84 ARG CB C 84 32.969 31.681 1.288 1
1 830 . 16 1 1 A 84 84 ARG N N 84 127.552 123.600 3.952 1
1 831 . 16 1 1 A 85 85 LEU H H 85 10.121 9.425 0.696 1
1 832 . 16 1 1 A 85 85 LEU HA H 85 5.232 5.352 -0.120 1
1 842 . 16 1 1 A 85 85 LEU CA C 85 53.442 53.487 -0.045 1
1 843 . 16 1 1 A 85 85 LEU CB C 85 45.431 42.804 2.627 1
1 847 . 16 1 1 A 85 85 LEU N N 85 128.946 129.492 -0.546 1
1 848 . 16 1 1 A 86 86 THR H H 86 9.594 9.143 0.451 1
1 849 . 16 1 1 A 86 86 THR HA H 86 5.081 4.793 0.288 1
1 854 . 16 1 1 A 86 86 THR CA C 86 63.525 62.460 1.065 1
1 855 . 16 1 1 A 86 86 THR CB C 86 68.690 69.378 -0.688 1
1 857 . 16 1 1 A 86 86 THR N N 86 121.842 120.352 1.490 1
1 858 . 16 1 1 A 87 87 ILE H H 87 10.109 9.043 1.066 1
1 859 . 16 1 1 A 87 87 ILE HA H 87 4.539 4.779 -0.240 1
1 869 . 16 1 1 A 87 87 ILE CA C 87 58.954 58.352 0.602 1
1 870 . 16 1 1 A 87 87 ILE CB C 87 40.704 38.810 1.894 1
1 874 . 16 1 1 A 87 87 ILE N N 87 129.512 128.295 1.217 1
1 875 . 16 1 1 A 88 88 PRO HA H 88 4.981 4.718 0.263 1
1 882 . 16 1 1 A 88 88 PRO CA C 88 61.675 61.873 -0.198 1
1 883 . 16 1 1 A 88 88 PRO CB C 88 30.917 32.651 -1.734 1
1 886 . 16 1 1 A 89 89 PRO HA H 89 4.439 4.334 0.105 1
1 893 . 16 1 1 A 89 89 PRO CA C 89 65.384 65.335 0.049 1
1 894 . 16 1 1 A 89 89 PRO CB C 89 30.913 32.095 -1.182 1
1 897 . 16 1 1 A 90 90 GLN H H 90 9.574 8.917 0.657 1
1 898 . 16 1 1 A 90 90 GLN HA H 90 4.296 4.198 0.098 1
1 905 . 16 1 1 A 90 90 GLN CA C 90 58.441 57.505 0.936 1
1 906 . 16 1 1 A 90 90 GLN CB C 90 26.402 27.395 -0.993 1
1 908 . 16 1 1 A 90 90 GLN N N 90 118.710 115.519 3.191 1
1 910 . 16 1 1 A 91 91 LEU H H 91 7.976 7.438 0.538 1
1 911 . 16 1 1 A 91 91 LEU HA H 91 4.636 4.619 0.017 1
1 921 . 16 1 1 A 91 91 LEU CA C 91 53.625 54.429 -0.804 1
1 922 . 16 1 1 A 91 91 LEU CB C 91 42.819 43.342 -0.523 1
1 926 . 16 1 1 A 91 91 LEU N N 91 119.302 118.586 0.716 1
1 927 . 16 1 1 A 92 92 GLY H H 92 7.717 7.833 -0.116 1
1 928 . 16 1 1 A 92 92 GLY HA2 H 92 3.258 4.187 -0.929 1
1 929 . 16 1 1 A 92 92 GLY HA3 H 92 4.121 4.241 -0.120 1
1 930 . 16 1 1 A 92 92 GLY CA C 92 45.183 45.978 -0.795 1
1 931 . 16 1 1 A 92 92 GLY N N 92 110.415 107.103 3.312 1
1 932 . 16 1 1 A 93 93 TYR H H 93 9.662 8.733 0.929 1
1 933 . 16 1 1 A 93 93 TYR HA H 93 4.513 4.182 0.331 1
1 940 . 16 1 1 A 93 93 TYR CA C 93 58.603 60.501 -1.898 1
1 941 . 16 1 1 A 93 93 TYR CB C 93 37.762 38.545 -0.783 1
1 942 . 16 1 1 A 93 93 TYR N N 93 126.998 122.542 4.456 1
1 943 . 16 1 1 A 94 94 GLY H H 94 8.467 7.981 0.486 1
1 944 . 16 1 1 A 94 94 GLY HA2 H 94 3.633 4.121 -0.488 1
1 945 . 16 1 1 A 94 94 GLY HA3 H 94 3.888 4.131 -0.243 1
1 946 . 16 1 1 A 94 94 GLY CA C 94 47.023 43.671 3.352 1
1 947 . 16 1 1 A 94 94 GLY N N 94 108.486 106.201 2.285 1
1 948 . 16 1 1 A 95 95 ALA H H 95 7.636 8.651 -1.015 1
1 949 . 16 1 1 A 95 95 ALA HA H 95 4.151 4.445 -0.294 1
1 953 . 16 1 1 A 95 95 ALA CA C 95 53.326 52.978 0.348 1
1 954 . 16 1 1 A 95 95 ALA CB C 95 18.831 18.821 0.010 1
1 955 . 16 1 1 A 96 96 ARG H H 96 7.910 7.932 -0.022 1
1 956 . 16 1 1 A 96 96 ARG HA H 96 4.227 4.167 0.060 1
1 963 . 16 1 1 A 96 96 ARG CA C 96 57.514 58.030 -0.516 1
1 964 . 16 1 1 A 96 96 ARG CB C 96 31.353 31.091 0.262 1
1 967 . 16 1 1 A 96 96 ARG N N 96 115.669 118.170 -2.501 1
1 968 . 16 1 1 A 97 97 GLY H H 97 6.917 7.904 -0.987 1
1 969 . 16 1 1 A 97 97 GLY HA2 H 97 3.272 4.050 -0.778 1
1 970 . 16 1 1 A 97 97 GLY HA3 H 97 3.908 4.090 -0.182 1
1 971 . 16 1 1 A 97 97 GLY CA C 97 44.693 44.902 -0.209 1
1 972 . 16 1 1 A 97 97 GLY N N 97 103.795 107.161 -3.366 1
1 973 . 16 1 1 A 98 98 ALA H H 98 8.187 8.499 -0.312 1
1 974 . 16 1 1 A 98 98 ALA HA H 98 4.287 4.511 -0.224 1
1 978 . 16 1 1 A 98 98 ALA CA C 98 52.717 53.306 -0.589 1
1 979 . 16 1 1 A 98 98 ALA CB C 98 20.563 20.681 -0.118 1
1 980 . 16 1 1 A 98 98 ALA N N 98 118.770 120.469 -1.699 1
1 981 . 16 1 1 A 99 99 GLY H H 99 8.904 8.023 0.881 1
1 982 . 16 1 1 A 99 99 GLY HA2 H 99 3.670 4.150 -0.480 1
1 983 . 16 1 1 A 99 99 GLY HA3 H 99 3.854 4.152 -0.298 1
1 984 . 16 1 1 A 99 99 GLY CA C 99 46.848 44.699 2.149 1
1 985 . 16 1 1 A 99 99 GLY N N 99 109.717 104.165 5.552 1
1 986 . 16 1 1 A 100 100 GLY H H 100 8.759 8.777 -0.018 1
1 987 . 16 1 1 A 100 100 GLY HA2 H 100 3.719 3.784 -0.065 1
1 988 . 16 1 1 A 100 100 GLY HA3 H 100 4.041 3.786 0.255 1
1 989 . 16 1 1 A 100 100 GLY CA C 100 45.655 47.112 -1.457 1
1 990 . 16 1 1 A 100 100 GLY N N 100 110.895 109.376 1.519 1
1 991 . 16 1 1 A 101 101 VAL H H 101 7.631 7.428 0.203 1
1 992 . 16 1 1 A 101 101 VAL HA H 101 4.226 4.200 0.026 1
1 1000 . 16 1 1 A 101 101 VAL CA C 101 62.518 60.537 1.981 1
1 1001 . 16 1 1 A 101 101 VAL CB C 101 34.660 31.538 3.122 1
1 1004 . 16 1 1 A 101 101 VAL N N 101 115.165 115.871 -0.706 1
1 1005 . 16 1 1 A 102 102 ILE H H 102 7.686 7.618 0.068 1
1 1006 . 16 1 1 A 102 102 ILE HA H 102 4.351 4.620 -0.269 1
1 1016 . 16 1 1 A 102 102 ILE CA C 102 57.498 58.106 -0.608 1
1 1017 . 16 1 1 A 102 102 ILE CB C 102 38.189 39.548 -1.359 1
1 1021 . 16 1 1 A 102 102 ILE N N 102 120.043 122.418 -2.375 1
1 1022 . 16 1 1 A 103 103 PRO HA H 103 4.727 4.731 -0.004 1
1 1029 . 16 1 1 A 103 103 PRO CA C 103 61.614 61.697 -0.083 1
1 1030 . 16 1 1 A 103 103 PRO CB C 103 31.055 32.639 -1.584 1
1 1033 . 16 1 1 A 104 104 PRO HA H 104 3.778 4.446 -0.668 1
1 1040 . 16 1 1 A 104 104 PRO CA C 104 63.599 64.697 -1.098 1
1 1041 . 16 1 1 A 104 104 PRO CB C 104 33.183 31.689 1.494 1
1 1044 . 16 1 1 A 105 105 ASN H H 105 8.581 8.272 0.309 1
1 1045 . 16 1 1 A 105 105 ASN HA H 105 3.928 5.017 -1.089 1
1 1050 . 16 1 1 A 105 105 ASN CA C 105 54.447 52.353 2.094 1
1 1051 . 16 1 1 A 105 105 ASN CB C 105 37.280 38.876 -1.596 1
1 1052 . 16 1 1 A 105 105 ASN N N 105 117.269 115.515 1.754 1
1 1054 . 16 1 1 A 106 106 ALA H H 106 7.637 7.146 0.491 1
1 1055 . 16 1 1 A 106 106 ALA HA H 106 4.456 4.352 0.104 1
1 1059 . 16 1 1 A 106 106 ALA CA C 106 52.493 52.195 0.298 1
1 1060 . 16 1 1 A 106 106 ALA CB C 106 20.938 20.263 0.675 1
1 1061 . 16 1 1 A 106 106 ALA N N 106 121.257 122.234 -0.977 1
1 1062 . 16 1 1 A 107 107 THR H H 107 8.492 8.493 -0.001 1
1 1063 . 16 1 1 A 107 107 THR HA H 107 4.781 5.027 -0.246 1
1 1068 . 16 1 1 A 107 107 THR CA C 107 63.319 61.629 1.690 1
1 1069 . 16 1 1 A 107 107 THR CB C 107 69.430 71.173 -1.743 1
1 1071 . 16 1 1 A 107 107 THR N N 107 121.742 116.857 4.885 1
1 1072 . 16 1 1 A 108 108 LEU H H 108 8.900 8.855 0.045 1
1 1073 . 16 1 1 A 108 108 LEU HA H 108 5.132 5.053 0.079 1
1 1083 . 16 1 1 A 108 108 LEU CA C 108 52.950 53.333 -0.383 1
1 1084 . 16 1 1 A 108 108 LEU CB C 108 46.730 43.432 3.298 1
1 1088 . 16 1 1 A 108 108 LEU N N 108 125.279 125.650 -0.371 1
1 1089 . 16 1 1 A 109 109 VAL H H 109 8.933 8.595 0.338 1
1 1090 . 16 1 1 A 109 109 VAL HA H 109 5.532 4.724 0.808 1
1 1098 . 16 1 1 A 109 109 VAL CA C 109 60.793 61.291 -0.498 1
1 1099 . 16 1 1 A 109 109 VAL CB C 109 34.138 33.137 1.001 1
1 1102 . 16 1 1 A 109 109 VAL N N 109 122.496 125.231 -2.735 1
1 1103 . 16 1 1 A 110 110 PHE H H 110 9.737 9.031 0.706 1
1 1104 . 16 1 1 A 110 110 PHE HA H 110 6.457 5.163 1.294 1
1 1112 . 16 1 1 A 110 110 PHE CA C 110 55.265 56.054 -0.789 1
1 1113 . 16 1 1 A 110 110 PHE CB C 110 44.818 43.115 1.703 1
1 1114 . 16 1 1 A 110 110 PHE N N 110 121.114 124.687 -3.573 1
1 1115 . 16 1 1 A 111 111 GLU H H 111 9.223 8.404 0.819 1
1 1116 . 16 1 1 A 111 111 GLU HA H 111 5.202 4.585 0.617 1
1 1121 . 16 1 1 A 111 111 GLU CA C 111 56.709 55.162 1.547 1
1 1122 . 16 1 1 A 111 111 GLU CB C 111 32.338 30.826 1.512 1
1 1124 . 16 1 1 A 111 111 GLU N N 111 122.210 123.324 -1.114 1
1 1125 . 16 1 1 A 112 112 VAL H H 112 9.269 8.658 0.611 1
1 1126 . 16 1 1 A 112 112 VAL HA H 112 4.796 4.838 -0.042 1
1 1134 . 16 1 1 A 112 112 VAL CA C 112 61.127 61.039 0.088 1
1 1135 . 16 1 1 A 112 112 VAL CB C 112 34.634 34.170 0.464 1
1 1136 . 16 1 1 A 112 112 VAL N N 112 126.195 126.174 0.021 1
1 1137 . 16 1 1 A 113 113 GLU H H 113 9.545 9.045 0.500 1
1 1138 . 16 1 1 A 113 113 GLU HA H 113 5.483 5.365 0.118 1
1 1143 . 16 1 1 A 113 113 GLU CA C 113 53.159 54.729 -1.570 1
1 1144 . 16 1 1 A 113 113 GLU CB C 113 32.657 31.914 0.743 1
1 1146 . 16 1 1 A 113 113 GLU N N 113 128.111 124.546 3.565 1
1 1147 . 16 1 1 A 114 114 LEU H H 114 8.261 8.752 -0.491 1
1 1148 . 16 1 1 A 114 114 LEU HA H 114 4.634 4.492 0.142 1
1 1158 . 16 1 1 A 114 114 LEU CA C 114 55.217 55.544 -0.327 1
1 1159 . 16 1 1 A 114 114 LEU CB C 114 41.826 42.653 -0.827 1
1 1163 . 16 1 1 A 114 114 LEU N N 114 126.273 126.920 -0.647 1
1 1164 . 16 1 1 A 115 115 LEU H H 115 9.258 8.968 0.290 1
1 1165 . 16 1 1 A 115 115 LEU HA H 115 4.453 4.463 -0.010 1
1 1175 . 16 1 1 A 115 115 LEU CA C 115 55.791 56.176 -0.385 1
1 1176 . 16 1 1 A 115 115 LEU CB C 115 42.897 42.596 0.301 1
1 1180 . 16 1 1 A 115 115 LEU N N 115 130.031 128.430 1.601 1
1 1181 . 16 1 1 A 116 116 ASP H H 116 7.748 7.320 0.428 1
1 1182 . 16 1 1 A 116 116 ASP HA H 116 4.672 4.881 -0.209 1
1 1185 . 16 1 1 A 116 116 ASP CA C 116 54.385 53.937 0.448 1
1 1186 . 16 1 1 A 116 116 ASP CB C 116 43.828 44.858 -1.030 1
1 1187 . 16 1 1 A 116 116 ASP N N 116 115.338 113.796 1.542 1
1 1 . 17 1 1 A 3 3 GLY H H 3 8.684 8.127 0.557 1
1 2 . 17 1 1 A 3 3 GLY HA2 H 3 3.959 4.088 -0.129 1
1 3 . 17 1 1 A 3 3 GLY HA3 H 3 3.959 4.092 -0.133 1
1 4 . 17 1 1 A 3 3 GLY N N 3 110.167 109.548 0.619 1
1 5 . 17 1 1 A 4 4 SER H H 4 8.315 8.489 -0.174 1
1 6 . 17 1 1 A 4 4 SER HA H 4 4.468 4.368 0.100 1
1 9 . 17 1 1 A 4 4 SER CA C 4 58.355 58.780 -0.425 1
1 10 . 17 1 1 A 4 4 SER N N 4 115.851 116.903 -1.052 1
1 11 . 17 1 1 A 5 5 MET H H 5 8.640 8.592 0.048 1
1 12 . 17 1 1 A 5 5 MET HA H 5 4.554 4.944 -0.390 1
1 17 . 17 1 1 A 5 5 MET CA C 5 55.754 54.342 1.412 1
1 18 . 17 1 1 A 5 5 MET CB C 5 32.870 32.886 -0.016 1
1 20 . 17 1 1 A 5 5 MET N N 5 122.413 122.144 0.269 1
1 21 . 17 1 1 A 6 6 THR H H 6 8.265 7.625 0.640 1
1 22 . 17 1 1 A 6 6 THR HA H 6 4.296 4.452 -0.156 1
1 27 . 17 1 1 A 6 6 THR CA C 6 62.224 61.532 0.692 1
1 28 . 17 1 1 A 6 6 THR CB C 6 69.806 68.058 1.748 1
1 30 . 17 1 1 A 6 6 THR N N 6 116.270 111.818 4.452 1
1 31 . 17 1 1 A 7 7 VAL H H 7 8.068 8.275 -0.207 1
1 32 . 17 1 1 A 7 7 VAL HA H 7 4.200 4.586 -0.386 1
1 40 . 17 1 1 A 7 7 VAL CA C 7 62.021 60.541 1.480 1
1 41 . 17 1 1 A 7 7 VAL CB C 7 32.773 35.707 -2.934 1
1 44 . 17 1 1 A 7 7 VAL N N 7 124.632 125.764 -1.132 1
1 45 . 17 1 1 A 8 8 VAL H H 8 8.985 8.022 0.963 1
1 46 . 17 1 1 A 8 8 VAL HA H 8 3.872 4.789 -0.917 1
1 54 . 17 1 1 A 8 8 VAL CA C 8 61.848 60.346 1.502 1
1 55 . 17 1 1 A 8 8 VAL CB C 8 33.157 33.968 -0.811 1
1 58 . 17 1 1 A 8 8 VAL N N 8 132.503 126.045 6.458 1
1 59 . 17 1 1 A 9 9 THR H H 9 8.213 8.951 -0.738 1
1 60 . 17 1 1 A 9 9 THR HA H 9 5.250 4.931 0.319 1
1 65 . 17 1 1 A 9 9 THR CA C 9 61.040 61.641 -0.601 1
1 66 . 17 1 1 A 9 9 THR CB C 9 69.773 71.089 -1.316 1
1 68 . 17 1 1 A 9 9 THR N N 9 121.386 123.244 -1.858 1
1 69 . 17 1 1 A 10 10 THR H H 10 9.318 8.557 0.761 1
1 70 . 17 1 1 A 10 10 THR HA H 10 4.693 4.939 -0.246 1
1 75 . 17 1 1 A 10 10 THR CA C 10 60.077 59.906 0.171 1
1 76 . 17 1 1 A 10 10 THR CB C 10 70.131 71.051 -0.920 1
1 78 . 17 1 1 A 10 10 THR N N 10 119.882 113.770 6.112 1
1 79 . 17 1 1 A 11 11 GLU H H 11 9.051 8.914 0.137 1
1 80 . 17 1 1 A 11 11 GLU HA H 11 4.028 4.031 -0.003 1
1 85 . 17 1 1 A 11 11 GLU CA C 11 59.072 59.293 -0.221 1
1 86 . 17 1 1 A 11 11 GLU CB C 11 29.516 29.268 0.248 1
1 88 . 17 1 1 A 11 11 GLU N N 11 120.586 122.339 -1.753 1
1 89 . 17 1 1 A 12 12 SER H H 12 8.445 7.777 0.668 1
1 90 . 17 1 1 A 12 12 SER HA H 12 4.302 4.446 -0.144 1
1 93 . 17 1 1 A 12 12 SER CA C 12 58.483 59.629 -1.146 1
1 94 . 17 1 1 A 12 12 SER CB C 12 63.034 63.406 -0.372 1
1 95 . 17 1 1 A 12 12 SER N N 12 114.574 112.661 1.913 1
1 96 . 17 1 1 A 13 13 GLY H H 13 7.798 7.532 0.266 1
1 97 . 17 1 1 A 13 13 GLY HA2 H 13 3.425 4.064 -0.639 1
1 98 . 17 1 1 A 13 13 GLY HA3 H 13 4.401 4.065 0.336 1
1 99 . 17 1 1 A 13 13 GLY CA C 13 44.276 45.231 -0.955 1
1 100 . 17 1 1 A 13 13 GLY N N 13 109.024 108.160 0.864 1
1 101 . 17 1 1 A 14 14 LEU H H 14 7.501 7.855 -0.354 1
1 102 . 17 1 1 A 14 14 LEU HA H 14 3.967 4.534 -0.567 1
1 112 . 17 1 1 A 14 14 LEU CA C 14 56.343 55.809 0.534 1
1 113 . 17 1 1 A 14 14 LEU CB C 14 41.856 42.749 -0.893 1
1 117 . 17 1 1 A 14 14 LEU N N 14 123.870 123.159 0.711 1
1 118 . 17 1 1 A 15 15 LYS H H 15 7.812 8.429 -0.617 1
1 119 . 17 1 1 A 15 15 LYS HA H 15 5.942 5.343 0.599 1
1 127 . 17 1 1 A 15 15 LYS CA C 15 54.052 54.339 -0.287 1
1 128 . 17 1 1 A 15 15 LYS CB C 15 36.289 35.893 0.396 1
1 132 . 17 1 1 A 15 15 LYS N N 15 123.667 124.636 -0.969 1
1 133 . 17 1 1 A 16 16 TYR H H 16 9.289 8.907 0.382 1
1 134 . 17 1 1 A 16 16 TYR HA H 16 5.996 5.623 0.373 1
1 141 . 17 1 1 A 16 16 TYR CA C 16 55.784 56.225 -0.441 1
1 142 . 17 1 1 A 16 16 TYR CB C 16 43.297 42.202 1.095 1
1 143 . 17 1 1 A 16 16 TYR N N 16 117.890 117.722 0.168 1
1 144 . 17 1 1 A 17 17 GLU H H 17 8.728 8.897 -0.169 1
1 145 . 17 1 1 A 17 17 GLU HA H 17 4.860 4.817 0.043 1
1 150 . 17 1 1 A 17 17 GLU CA C 17 54.072 54.898 -0.826 1
1 151 . 17 1 1 A 17 17 GLU CB C 17 35.222 33.192 2.030 1
1 152 . 17 1 1 A 17 17 GLU N N 17 118.386 121.347 -2.961 1
1 153 . 17 1 1 A 18 18 ASP H H 18 9.596 8.963 0.633 1
1 154 . 17 1 1 A 18 18 ASP HA H 18 5.296 4.735 0.561 1
1 157 . 17 1 1 A 18 18 ASP CA C 18 55.695 54.803 0.892 1
1 158 . 17 1 1 A 18 18 ASP CB C 18 40.940 41.062 -0.122 1
1 159 . 17 1 1 A 18 18 ASP N N 18 127.059 127.438 -0.379 1
1 160 . 17 1 1 A 19 19 LEU H H 19 8.609 9.095 -0.486 1
1 161 . 17 1 1 A 19 19 LEU HA H 19 4.275 4.557 -0.282 1
1 171 . 17 1 1 A 19 19 LEU CA C 19 56.923 55.866 1.057 1
1 172 . 17 1 1 A 19 19 LEU CB C 19 41.074 43.607 -2.533 1
1 176 . 17 1 1 A 19 19 LEU N N 19 128.620 125.210 3.410 1
1 177 . 17 1 1 A 20 20 THR H H 20 8.136 7.906 0.230 1
1 178 . 17 1 1 A 20 20 THR HA H 20 4.400 4.798 -0.398 1
1 183 . 17 1 1 A 20 20 THR CA C 20 61.835 61.457 0.378 1
1 184 . 17 1 1 A 20 20 THR CB C 20 72.411 71.349 1.062 1
1 186 . 17 1 1 A 20 20 THR N N 20 112.473 111.799 0.674 1
1 187 . 17 1 1 A 21 21 GLU H H 21 9.354 8.819 0.535 1
1 188 . 17 1 1 A 21 21 GLU HA H 21 4.370 4.438 -0.068 1
1 193 . 17 1 1 A 21 21 GLU CA C 21 56.277 57.478 -1.201 1
1 194 . 17 1 1 A 21 21 GLU CB C 21 30.368 30.713 -0.345 1
1 196 . 17 1 1 A 21 21 GLU N N 21 130.043 127.174 2.869 1
1 197 . 17 1 1 A 22 22 GLY H H 22 9.071 8.436 0.635 1
1 198 . 17 1 1 A 22 22 GLY HA2 H 22 3.446 4.173 -0.727 1
1 199 . 17 1 1 A 22 22 GLY HA3 H 22 3.742 4.174 -0.432 1
1 200 . 17 1 1 A 22 22 GLY CA C 22 45.343 45.320 0.023 1
1 201 . 17 1 1 A 22 22 GLY N N 22 113.930 109.082 4.848 1
1 202 . 17 1 1 A 23 23 SER H H 23 8.040 8.846 -0.806 1
1 203 . 17 1 1 A 23 23 SER HA H 23 4.671 4.666 0.005 1
1 206 . 17 1 1 A 23 23 SER CA C 23 57.488 57.914 -0.426 1
1 207 . 17 1 1 A 23 23 SER CB C 23 65.069 61.476 3.593 1
1 208 . 17 1 1 A 23 23 SER N N 23 111.747 123.114 -11.367 1
1 209 . 17 1 1 A 24 24 GLY H H 24 8.418 8.407 0.011 1
1 210 . 17 1 1 A 24 24 GLY HA2 H 24 3.693 4.120 -0.427 1
1 211 . 17 1 1 A 24 24 GLY HA3 H 24 4.328 4.121 0.207 1
1 212 . 17 1 1 A 24 24 GLY CA C 24 44.138 44.283 -0.145 1
1 213 . 17 1 1 A 24 24 GLY N N 24 111.391 112.363 -0.972 1
1 214 . 17 1 1 A 25 25 ALA H H 25 8.342 8.299 0.043 1
1 215 . 17 1 1 A 25 25 ALA HA H 25 4.061 4.926 -0.865 1
1 219 . 17 1 1 A 25 25 ALA CA C 25 52.551 50.552 1.999 1
1 220 . 17 1 1 A 25 25 ALA CB C 25 19.752 20.760 -1.008 1
1 221 . 17 1 1 A 25 25 ALA N N 25 123.675 123.815 -0.140 1
1 222 . 17 1 1 A 26 26 GLU H H 26 8.194 8.563 -0.369 1
1 223 . 17 1 1 A 26 26 GLU HA H 26 4.498 4.724 -0.226 1
1 228 . 17 1 1 A 26 26 GLU CA C 26 55.174 56.249 -1.075 1
1 229 . 17 1 1 A 26 26 GLU CB C 26 31.906 30.670 1.236 1
1 231 . 17 1 1 A 26 26 GLU N N 26 119.186 123.421 -4.235 1
1 232 . 17 1 1 A 27 27 ALA H H 27 8.930 8.250 0.680 1
1 233 . 17 1 1 A 27 27 ALA HA H 27 4.527 4.461 0.066 1
1 237 . 17 1 1 A 27 27 ALA CA C 27 51.815 52.840 -1.025 1
1 238 . 17 1 1 A 27 27 ALA CB C 27 19.057 19.492 -0.435 1
1 239 . 17 1 1 A 27 27 ALA N N 27 127.513 127.321 0.192 1
1 240 . 17 1 1 A 28 28 ARG H H 28 8.348 8.927 -0.579 1
1 241 . 17 1 1 A 28 28 ARG HA H 28 4.563 4.868 -0.305 1
1 246 . 17 1 1 A 28 28 ARG CA C 28 53.584 53.813 -0.229 1
1 247 . 17 1 1 A 28 28 ARG CB C 28 33.571 33.789 -0.218 1
1 250 . 17 1 1 A 28 28 ARG N N 28 124.054 121.011 3.043 1
1 251 . 17 1 1 A 29 29 ALA H H 29 8.387 8.621 -0.234 1
1 252 . 17 1 1 A 29 29 ALA HA H 29 3.594 3.917 -0.323 1
1 256 . 17 1 1 A 29 29 ALA CA C 29 53.535 53.940 -0.405 1
1 257 . 17 1 1 A 29 29 ALA CB C 29 17.781 18.587 -0.806 1
1 258 . 17 1 1 A 29 29 ALA N N 29 122.289 126.763 -4.474 1
1 259 . 17 1 1 A 30 30 GLY H H 30 9.043 9.113 -0.070 1
1 260 . 17 1 1 A 30 30 GLY HA2 H 30 3.451 3.984 -0.533 1
1 261 . 17 1 1 A 30 30 GLY HA3 H 30 4.378 3.985 0.393 1
1 262 . 17 1 1 A 30 30 GLY CA C 30 44.562 45.050 -0.488 1
1 263 . 17 1 1 A 30 30 GLY N N 30 110.956 111.080 -0.124 1
1 264 . 17 1 1 A 31 31 GLN H H 31 7.620 7.643 -0.023 1
1 265 . 17 1 1 A 31 31 GLN HA H 31 4.343 4.660 -0.317 1
1 272 . 17 1 1 A 31 31 GLN CA C 31 55.410 54.782 0.628 1
1 273 . 17 1 1 A 31 31 GLN CB C 31 30.151 30.466 -0.315 1
1 275 . 17 1 1 A 31 31 GLN N N 31 119.756 118.178 1.578 1
1 277 . 17 1 1 A 32 32 THR H H 32 8.793 8.461 0.332 1
1 278 . 17 1 1 A 32 32 THR HA H 32 4.463 4.841 -0.378 1
1 283 . 17 1 1 A 32 32 THR CA C 32 63.072 61.807 1.265 1
1 284 . 17 1 1 A 32 32 THR CB C 32 68.380 70.573 -2.193 1
1 286 . 17 1 1 A 32 32 THR N N 32 119.718 118.498 1.220 1
1 287 . 17 1 1 A 33 33 VAL H H 33 8.393 8.698 -0.305 1
1 288 . 17 1 1 A 33 33 VAL HA H 33 4.712 4.912 -0.200 1
1 296 . 17 1 1 A 33 33 VAL CA C 33 58.274 59.124 -0.850 1
1 297 . 17 1 1 A 33 33 VAL CB C 33 33.309 36.264 -2.955 1
1 300 . 17 1 1 A 33 33 VAL N N 33 120.513 118.781 1.732 1
1 301 . 17 1 1 A 34 34 SER H H 34 7.865 8.973 -1.108 1
1 302 . 17 1 1 A 34 34 SER HA H 34 5.262 5.788 -0.526 1
1 305 . 17 1 1 A 34 34 SER CA C 34 56.443 56.442 0.001 1
1 306 . 17 1 1 A 34 34 SER CB C 34 64.882 65.174 -0.292 1
1 307 . 17 1 1 A 34 34 SER N N 34 113.652 116.309 -2.657 1
1 308 . 17 1 1 A 35 35 VAL H H 35 9.531 9.620 -0.089 1
1 309 . 17 1 1 A 35 35 VAL HA H 35 5.715 5.185 0.530 1
1 317 . 17 1 1 A 35 35 VAL CA C 35 58.226 58.992 -0.766 1
1 318 . 17 1 1 A 35 35 VAL CB C 35 35.412 36.308 -0.896 1
1 321 . 17 1 1 A 35 35 VAL N N 35 117.985 120.507 -2.522 1
1 322 . 17 1 1 A 36 36 HIS H H 36 8.812 8.659 0.153 1
1 323 . 17 1 1 A 36 36 HIS HA H 36 5.784 5.628 0.156 1
1 328 . 17 1 1 A 36 36 HIS CA C 36 54.671 53.753 0.918 1
1 329 . 17 1 1 A 36 36 HIS CB C 36 35.786 32.451 3.335 1
1 330 . 17 1 1 A 36 36 HIS N N 36 118.227 119.482 -1.255 1
1 331 . 17 1 1 A 37 37 TYR H H 37 9.680 8.871 0.809 1
1 332 . 17 1 1 A 37 37 TYR HA H 37 6.201 6.001 0.200 1
1 339 . 17 1 1 A 37 37 TYR CA C 37 56.280 55.383 0.897 1
1 340 . 17 1 1 A 37 37 TYR CB C 37 43.791 41.696 2.095 1
1 341 . 17 1 1 A 37 37 TYR N N 37 116.878 119.833 -2.955 1
1 342 . 17 1 1 A 38 38 THR H H 38 8.478 8.743 -0.265 1
1 343 . 17 1 1 A 38 38 THR HA H 38 4.374 4.539 -0.165 1
1 348 . 17 1 1 A 38 38 THR CA C 38 62.692 59.832 2.860 1
1 349 . 17 1 1 A 38 38 THR CB C 38 71.675 70.459 1.216 1
1 351 . 17 1 1 A 38 38 THR N N 38 117.172 117.377 -0.205 1
1 352 . 17 1 1 A 39 39 GLY H H 39 8.332 8.405 -0.073 1
1 353 . 17 1 1 A 39 39 GLY HA2 H 39 1.943 2.441 -0.498 1
1 354 . 17 1 1 A 39 39 GLY HA3 H 39 4.624 2.958 1.666 1
1 355 . 17 1 1 A 39 39 GLY CA C 39 44.767 44.903 -0.136 1
1 356 . 17 1 1 A 39 39 GLY N N 39 113.042 112.088 0.954 1
1 357 . 17 1 1 A 40 40 TRP H H 40 9.669 8.808 0.861 1
1 358 . 17 1 1 A 40 40 TRP HA H 40 5.499 5.406 0.093 1
1 366 . 17 1 1 A 40 40 TRP CA C 40 57.026 55.533 1.493 1
1 367 . 17 1 1 A 40 40 TRP CB C 40 34.177 32.644 1.533 1
1 368 . 17 1 1 A 40 40 TRP N N 40 123.550 125.619 -2.069 1
1 370 . 17 1 1 A 41 41 LEU H H 41 8.699 9.209 -0.510 1
1 371 . 17 1 1 A 41 41 LEU HA H 41 5.056 4.700 0.356 1
1 381 . 17 1 1 A 41 41 LEU CA C 41 54.040 53.578 0.462 1
1 382 . 17 1 1 A 41 41 LEU CB C 41 41.981 42.831 -0.850 1
1 386 . 17 1 1 A 41 41 LEU N N 41 119.318 123.730 -4.412 1
1 387 . 17 1 1 A 42 42 THR H H 42 9.418 8.887 0.531 1
1 388 . 17 1 1 A 42 42 THR HA H 42 3.962 4.009 -0.047 1
1 393 . 17 1 1 A 42 42 THR CA C 42 65.117 65.093 0.024 1
1 394 . 17 1 1 A 42 42 THR CB C 42 68.693 68.418 0.275 1
1 396 . 17 1 1 A 42 42 THR N N 42 112.465 116.904 -4.439 1
1 397 . 17 1 1 A 43 43 ASP H H 43 7.690 7.981 -0.291 1
1 398 . 17 1 1 A 43 43 ASP HA H 43 4.538 4.545 -0.007 1
1 401 . 17 1 1 A 43 43 ASP CA C 43 53.655 54.177 -0.522 1
1 402 . 17 1 1 A 43 43 ASP CB C 43 40.109 41.128 -1.019 1
1 403 . 17 1 1 A 43 43 ASP N N 43 118.952 119.932 -0.980 1
1 404 . 17 1 1 A 44 44 GLY H H 44 8.043 8.190 -0.147 1
1 405 . 17 1 1 A 44 44 GLY HA2 H 44 3.521 3.892 -0.371 1
1 406 . 17 1 1 A 44 44 GLY HA3 H 44 4.318 3.892 0.426 1
1 407 . 17 1 1 A 44 44 GLY CA C 44 44.869 45.026 -0.157 1
1 408 . 17 1 1 A 44 44 GLY N N 44 107.790 106.221 1.569 1
1 409 . 17 1 1 A 45 45 GLN H H 45 8.355 7.862 0.493 1
1 410 . 17 1 1 A 45 45 GLN HA H 45 4.319 4.519 -0.200 1
1 417 . 17 1 1 A 45 45 GLN CA C 45 56.909 55.184 1.725 1
1 418 . 17 1 1 A 45 45 GLN CB C 45 29.837 30.223 -0.386 1
1 420 . 17 1 1 A 45 45 GLN N N 45 121.541 119.227 2.314 1
1 422 . 17 1 1 A 46 46 LYS H H 46 8.915 8.683 0.232 1
1 423 . 17 1 1 A 46 46 LYS HA H 46 4.454 4.725 -0.271 1
1 432 . 17 1 1 A 46 46 LYS CA C 46 55.782 56.140 -0.358 1
1 433 . 17 1 1 A 46 46 LYS CB C 46 33.097 33.567 -0.470 1
1 437 . 17 1 1 A 46 46 LYS N N 46 129.310 125.025 4.285 1
1 438 . 17 1 1 A 47 47 PHE H H 47 8.440 8.913 -0.473 1
1 439 . 17 1 1 A 47 47 PHE HA H 47 5.103 4.987 0.116 1
1 447 . 17 1 1 A 47 47 PHE CA C 47 56.272 56.592 -0.320 1
1 448 . 17 1 1 A 47 47 PHE CB C 47 41.094 40.841 0.253 1
1 449 . 17 1 1 A 47 47 PHE N N 47 122.874 122.027 0.847 1
1 450 . 17 1 1 A 48 48 ASP H H 48 6.744 7.528 -0.784 1
1 451 . 17 1 1 A 48 48 ASP HA H 48 4.790 4.844 -0.054 1
1 454 . 17 1 1 A 48 48 ASP CA C 48 54.518 54.249 0.269 1
1 455 . 17 1 1 A 48 48 ASP CB C 48 43.929 44.199 -0.270 1
1 456 . 17 1 1 A 48 48 ASP N N 48 118.152 119.626 -1.474 1
1 457 . 17 1 1 A 49 49 SER H H 49 8.122 8.675 -0.553 1
1 458 . 17 1 1 A 49 49 SER HA H 49 4.608 4.936 -0.328 1
1 461 . 17 1 1 A 49 49 SER CA C 49 56.963 56.299 0.664 1
1 462 . 17 1 1 A 49 49 SER CB C 49 64.699 66.284 -1.585 1
1 463 . 17 1 1 A 49 49 SER N N 49 117.585 118.984 -1.399 1
1 464 . 17 1 1 A 50 50 SER H H 50 8.020 8.690 -0.670 1
1 465 . 17 1 1 A 50 50 SER HA H 50 4.045 4.104 -0.059 1
1 468 . 17 1 1 A 50 50 SER CA C 50 61.482 61.187 0.295 1
1 469 . 17 1 1 A 50 50 SER CB C 50 61.488 62.948 -1.460 1
1 470 . 17 1 1 A 50 50 SER N N 50 124.801 118.970 5.831 1
1 471 . 17 1 1 A 51 51 LYS H H 51 7.730 8.283 -0.553 1
1 472 . 17 1 1 A 51 51 LYS HA H 51 3.505 4.086 -0.581 1
1 481 . 17 1 1 A 51 51 LYS CA C 51 58.921 59.116 -0.195 1
1 482 . 17 1 1 A 51 51 LYS CB C 51 31.346 31.540 -0.194 1
1 486 . 17 1 1 A 51 51 LYS N N 51 124.103 122.613 1.490 1
1 487 . 17 1 1 A 52 52 ASP H H 52 7.324 8.006 -0.682 1
1 488 . 17 1 1 A 52 52 ASP HA H 52 4.284 4.384 -0.100 1
1 491 . 17 1 1 A 52 52 ASP CA C 52 56.524 57.374 -0.850 1
1 492 . 17 1 1 A 52 52 ASP CB C 52 40.201 41.786 -1.585 1
1 493 . 17 1 1 A 52 52 ASP N N 52 118.971 119.971 -1.000 1
1 494 . 17 1 1 A 53 53 ARG H H 53 6.923 7.710 -0.787 1
1 495 . 17 1 1 A 53 53 ARG HA H 53 4.461 4.389 0.072 1
1 502 . 17 1 1 A 53 53 ARG CA C 53 55.597 57.029 -1.432 1
1 503 . 17 1 1 A 53 53 ARG CB C 53 31.289 31.257 0.032 1
1 506 . 17 1 1 A 53 53 ARG N N 53 114.803 118.908 -4.105 1
1 507 . 17 1 1 A 54 54 ASN H H 54 7.827 8.020 -0.193 1
1 508 . 17 1 1 A 54 54 ASN HA H 54 4.352 4.408 -0.056 1
1 513 . 17 1 1 A 54 54 ASN CA C 54 54.339 54.033 0.306 1
1 514 . 17 1 1 A 54 54 ASN CB C 54 37.849 37.104 0.745 1
1 515 . 17 1 1 A 54 54 ASN N N 54 117.421 117.937 -0.516 1
1 517 . 17 1 1 A 55 55 ASP H H 55 7.580 7.873 -0.293 1
1 518 . 17 1 1 A 55 55 ASP HA H 55 5.360 5.033 0.327 1
1 521 . 17 1 1 A 55 55 ASP CA C 55 51.697 51.426 0.271 1
1 522 . 17 1 1 A 55 55 ASP CB C 55 43.377 44.587 -1.210 1
1 523 . 17 1 1 A 55 55 ASP N N 55 115.802 120.018 -4.216 1
1 524 . 17 1 1 A 56 56 PRO HA H 56 4.022 4.000 0.022 1
1 531 . 17 1 1 A 56 56 PRO CA C 56 63.115 62.475 0.640 1
1 532 . 17 1 1 A 56 56 PRO CB C 56 32.348 32.314 0.034 1
1 535 . 17 1 1 A 57 57 PHE H H 57 9.207 8.384 0.823 1
1 536 . 17 1 1 A 57 57 PHE HA H 57 4.874 4.708 0.166 1
1 544 . 17 1 1 A 57 57 PHE CA C 57 57.290 57.440 -0.150 1
1 545 . 17 1 1 A 57 57 PHE CB C 57 42.517 39.476 3.041 1
1 546 . 17 1 1 A 57 57 PHE N N 57 124.509 123.187 1.322 1
1 547 . 17 1 1 A 58 58 ALA H H 58 7.942 8.883 -0.941 1
1 548 . 17 1 1 A 58 58 ALA HA H 58 5.928 5.653 0.275 1
1 552 . 17 1 1 A 58 58 ALA CA C 58 49.705 50.306 -0.601 1
1 553 . 17 1 1 A 58 58 ALA CB C 58 21.621 22.049 -0.428 1
1 554 . 17 1 1 A 58 58 ALA N N 58 130.661 130.184 0.477 1
1 555 . 17 1 1 A 59 59 PHE H H 59 8.455 8.796 -0.341 1
1 556 . 17 1 1 A 59 59 PHE HA H 59 4.660 5.058 -0.398 1
1 564 . 17 1 1 A 59 59 PHE CA C 59 55.610 56.018 -0.408 1
1 565 . 17 1 1 A 59 59 PHE CB C 59 40.857 40.562 0.295 1
1 566 . 17 1 1 A 59 59 PHE N N 59 114.967 117.216 -2.249 1
1 567 . 17 1 1 A 60 60 VAL H H 60 8.168 8.838 -0.670 1
1 568 . 17 1 1 A 60 60 VAL HA H 60 4.084 4.051 0.033 1
1 576 . 17 1 1 A 60 60 VAL CA C 60 61.907 62.006 -0.099 1
1 577 . 17 1 1 A 60 60 VAL CB C 60 31.564 32.226 -0.662 1
1 580 . 17 1 1 A 60 60 VAL N N 60 120.308 119.846 0.462 1
1 581 . 17 1 1 A 61 61 LEU H H 61 8.900 8.421 0.479 1
1 582 . 17 1 1 A 61 61 LEU HA H 61 4.248 4.046 0.202 1
1 592 . 17 1 1 A 61 61 LEU CA C 61 56.558 55.386 1.172 1
1 593 . 17 1 1 A 61 61 LEU CB C 61 41.736 42.258 -0.522 1
1 597 . 17 1 1 A 61 61 LEU N N 61 134.513 127.514 6.999 1
1 598 . 17 1 1 A 62 62 GLY H H 62 9.652 8.974 0.678 1
1 599 . 17 1 1 A 62 62 GLY HA2 H 62 3.558 3.990 -0.432 1
1 600 . 17 1 1 A 62 62 GLY HA3 H 62 4.154 4.015 0.139 1
1 601 . 17 1 1 A 62 62 GLY CA C 62 45.721 45.474 0.247 1
1 602 . 17 1 1 A 62 62 GLY N N 62 119.352 115.098 4.254 1
1 603 . 17 1 1 A 63 63 GLY H H 63 8.338 7.977 0.361 1
1 604 . 17 1 1 A 63 63 GLY HA2 H 63 3.557 4.092 -0.535 1
1 605 . 17 1 1 A 63 63 GLY HA3 H 63 4.298 4.107 0.191 1
1 606 . 17 1 1 A 63 63 GLY CA C 63 45.442 46.181 -0.739 1
1 607 . 17 1 1 A 63 63 GLY N N 63 107.002 108.294 -1.292 1
1 608 . 17 1 1 A 64 64 GLY H H 64 9.301 8.698 0.603 1
1 609 . 17 1 1 A 64 64 GLY HA2 H 64 4.057 4.192 -0.135 1
1 610 . 17 1 1 A 64 64 GLY HA3 H 64 4.057 4.319 -0.262 1
1 611 . 17 1 1 A 64 64 GLY CA C 64 46.425 45.273 1.152 1
1 612 . 17 1 1 A 64 64 GLY N N 64 112.092 111.059 1.033 1
1 613 . 17 1 1 A 65 65 MET H H 65 9.574 8.600 0.974 1
1 614 . 17 1 1 A 65 65 MET HA H 65 4.546 4.780 -0.234 1
1 619 . 17 1 1 A 65 65 MET CA C 65 55.641 54.601 1.040 1
1 620 . 17 1 1 A 65 65 MET CB C 65 33.268 32.532 0.736 1
1 622 . 17 1 1 A 65 65 MET N N 65 118.659 121.076 -2.417 1
1 623 . 17 1 1 A 66 66 VAL H H 66 6.867 8.450 -1.583 1
1 624 . 17 1 1 A 66 66 VAL HA H 66 4.454 4.739 -0.285 1
1 632 . 17 1 1 A 66 66 VAL CA C 66 57.545 58.953 -1.408 1
1 633 . 17 1 1 A 66 66 VAL CB C 66 35.736 35.618 0.118 1
1 636 . 17 1 1 A 66 66 VAL N N 66 108.649 119.225 -10.576 1
1 637 . 17 1 1 A 67 67 ILE H H 67 7.158 8.091 -0.933 1
1 638 . 17 1 1 A 67 67 ILE HA H 67 3.894 4.367 -0.473 1
1 648 . 17 1 1 A 67 67 ILE CA C 67 62.065 60.119 1.946 1
1 649 . 17 1 1 A 67 67 ILE CB C 67 37.130 40.143 -3.013 1
1 653 . 17 1 1 A 67 67 ILE N N 67 111.614 117.830 -6.216 1
1 654 . 17 1 1 A 68 68 LYS H H 68 9.182 8.896 0.286 1
1 655 . 17 1 1 A 68 68 LYS HA H 68 4.241 3.967 0.274 1
1 664 . 17 1 1 A 68 68 LYS CA C 68 60.042 59.570 0.472 1
1 665 . 17 1 1 A 68 68 LYS CB C 68 33.366 32.296 1.070 1
1 669 . 17 1 1 A 68 68 LYS N N 68 125.685 123.369 2.316 1
1 670 . 17 1 1 A 69 69 GLY H H 69 9.653 8.261 1.392 1
1 671 . 17 1 1 A 69 69 GLY HA2 H 69 3.595 3.786 -0.191 1
1 672 . 17 1 1 A 69 69 GLY HA3 H 69 3.971 3.813 0.158 1
1 673 . 17 1 1 A 69 69 GLY CA C 69 47.597 47.377 0.220 1
1 674 . 17 1 1 A 69 69 GLY N N 69 102.438 106.919 -4.481 1
1 675 . 17 1 1 A 70 70 TRP H H 70 7.745 7.835 -0.090 1
1 676 . 17 1 1 A 70 70 TRP HA H 70 4.152 4.529 -0.377 1
1 684 . 17 1 1 A 70 70 TRP CA C 70 60.737 60.535 0.202 1
1 685 . 17 1 1 A 70 70 TRP CB C 70 29.185 28.285 0.900 1
1 686 . 17 1 1 A 70 70 TRP N N 70 120.118 121.237 -1.119 1
1 687 . 17 1 1 A 71 71 ASP H H 71 7.058 8.490 -1.432 1
1 688 . 17 1 1 A 71 71 ASP HA H 71 4.878 4.329 0.549 1
1 691 . 17 1 1 A 71 71 ASP CA C 71 57.165 57.413 -0.248 1
1 692 . 17 1 1 A 71 71 ASP CB C 71 40.749 40.033 0.716 1
1 693 . 17 1 1 A 71 71 ASP N N 71 120.287 119.415 0.872 1
1 694 . 17 1 1 A 72 72 GLU H H 72 7.856 8.463 -0.607 1
1 695 . 17 1 1 A 72 72 GLU HA H 72 4.120 4.049 0.071 1
1 700 . 17 1 1 A 72 72 GLU CA C 72 58.236 59.435 -1.199 1
1 701 . 17 1 1 A 72 72 GLU CB C 72 30.409 29.212 1.197 1
1 703 . 17 1 1 A 72 72 GLU N N 72 114.126 119.435 -5.309 1
1 704 . 17 1 1 A 73 73 GLY H H 73 7.732 8.101 -0.369 1
1 705 . 17 1 1 A 73 73 GLY HA2 H 73 3.565 3.465 0.100 1
1 706 . 17 1 1 A 73 73 GLY HA3 H 73 3.565 3.495 0.070 1
1 707 . 17 1 1 A 73 73 GLY CA C 73 47.427 47.195 0.232 1
1 708 . 17 1 1 A 73 73 GLY N N 73 104.848 108.136 -3.288 1
1 709 . 17 1 1 A 74 74 VAL H H 74 8.138 8.697 -0.559 1
1 710 . 17 1 1 A 74 74 VAL HA H 74 3.630 3.809 -0.179 1
1 718 . 17 1 1 A 74 74 VAL CA C 74 63.679 65.803 -2.124 1
1 719 . 17 1 1 A 74 74 VAL CB C 74 31.206 31.853 -0.647 1
1 722 . 17 1 1 A 74 74 VAL N N 74 117.660 122.164 -4.504 1
1 723 . 17 1 1 A 75 75 GLN H H 75 6.431 7.782 -1.351 1
1 724 . 17 1 1 A 75 75 GLN HA H 75 3.598 4.440 -0.842 1
1 731 . 17 1 1 A 75 75 GLN CA C 75 58.343 55.560 2.783 1
1 732 . 17 1 1 A 75 75 GLN CB C 75 28.747 26.980 1.767 1
1 734 . 17 1 1 A 75 75 GLN N N 75 116.376 118.075 -1.699 1
1 736 . 17 1 1 A 76 76 GLY H H 76 8.577 7.578 0.999 1
1 737 . 17 1 1 A 76 76 GLY HA2 H 76 3.647 3.995 -0.348 1
1 738 . 17 1 1 A 76 76 GLY HA3 H 76 4.510 3.999 0.511 1
1 739 . 17 1 1 A 76 76 GLY CA C 76 45.092 45.479 -0.387 1
1 740 . 17 1 1 A 76 76 GLY N N 76 111.539 107.241 4.298 1
1 741 . 17 1 1 A 77 77 MET H H 77 7.609 7.774 -0.165 1
1 742 . 17 1 1 A 77 77 MET HA H 77 3.948 4.413 -0.465 1
1 747 . 17 1 1 A 77 77 MET CA C 77 58.260 56.694 1.566 1
1 748 . 17 1 1 A 77 77 MET CB C 77 34.641 33.452 1.189 1
1 750 . 17 1 1 A 77 77 MET N N 77 119.140 121.071 -1.931 1
1 751 . 17 1 1 A 78 78 LYS H H 78 8.348 8.867 -0.519 1
1 752 . 17 1 1 A 78 78 LYS HA H 78 5.015 5.074 -0.059 1
1 761 . 17 1 1 A 78 78 LYS CA C 78 54.136 54.194 -0.058 1
1 762 . 17 1 1 A 78 78 LYS CB C 78 34.944 35.464 -0.520 1
1 766 . 17 1 1 A 78 78 LYS N N 78 119.308 120.506 -1.198 1
1 767 . 17 1 1 A 79 79 VAL H H 79 8.622 8.878 -0.256 1
1 768 . 17 1 1 A 79 79 VAL HA H 79 3.160 3.464 -0.304 1
1 776 . 17 1 1 A 79 79 VAL CA C 79 66.585 65.489 1.096 1
1 777 . 17 1 1 A 79 79 VAL CB C 79 31.690 31.483 0.207 1
1 780 . 17 1 1 A 79 79 VAL N N 79 123.215 122.066 1.149 1
1 781 . 17 1 1 A 80 80 GLY H H 80 8.623 8.844 -0.221 1
1 782 . 17 1 1 A 80 80 GLY HA2 H 80 3.901 4.049 -0.148 1
1 783 . 17 1 1 A 80 80 GLY HA3 H 80 4.654 4.056 0.598 1
1 784 . 17 1 1 A 80 80 GLY CA C 80 44.457 45.123 -0.666 1
1 785 . 17 1 1 A 80 80 GLY N N 80 115.910 114.662 1.248 1
1 786 . 17 1 1 A 81 81 GLY H H 81 9.283 8.241 1.042 1
1 787 . 17 1 1 A 81 81 GLY HA2 H 81 3.574 3.961 -0.387 1
1 788 . 17 1 1 A 81 81 GLY HA3 H 81 3.916 3.968 -0.052 1
1 789 . 17 1 1 A 81 81 GLY CA C 81 45.310 45.518 -0.208 1
1 790 . 17 1 1 A 81 81 GLY N N 81 111.030 108.045 2.985 1
1 791 . 17 1 1 A 82 82 VAL H H 82 8.403 8.996 -0.593 1
1 792 . 17 1 1 A 82 82 VAL HA H 82 5.141 5.072 0.069 1
1 800 . 17 1 1 A 82 82 VAL CA C 82 61.633 61.083 0.550 1
1 801 . 17 1 1 A 82 82 VAL CB C 82 34.572 33.438 1.134 1
1 804 . 17 1 1 A 82 82 VAL N N 82 119.626 125.815 -6.189 1
1 805 . 17 1 1 A 83 83 ARG H H 83 9.383 8.526 0.857 1
1 806 . 17 1 1 A 83 83 ARG HA H 83 5.354 5.075 0.279 1
1 813 . 17 1 1 A 83 83 ARG CA C 83 54.577 54.582 -0.005 1
1 814 . 17 1 1 A 83 83 ARG CB C 83 35.933 34.383 1.550 1
1 817 . 17 1 1 A 83 83 ARG N N 83 130.545 125.709 4.836 1
1 818 . 17 1 1 A 84 84 ARG H H 84 9.618 8.980 0.638 1
1 819 . 17 1 1 A 84 84 ARG HA H 84 5.650 4.709 0.941 1
1 826 . 17 1 1 A 84 84 ARG CA C 84 54.383 55.392 -1.009 1
1 827 . 17 1 1 A 84 84 ARG CB C 84 32.969 31.748 1.221 1
1 830 . 17 1 1 A 84 84 ARG N N 84 127.552 123.602 3.950 1
1 831 . 17 1 1 A 85 85 LEU H H 85 10.121 9.335 0.786 1
1 832 . 17 1 1 A 85 85 LEU HA H 85 5.232 5.519 -0.287 1
1 842 . 17 1 1 A 85 85 LEU CA C 85 53.442 53.395 0.047 1
1 843 . 17 1 1 A 85 85 LEU CB C 85 45.431 43.462 1.969 1
1 847 . 17 1 1 A 85 85 LEU N N 85 128.946 129.419 -0.473 1
1 848 . 17 1 1 A 86 86 THR H H 86 9.594 9.346 0.248 1
1 849 . 17 1 1 A 86 86 THR HA H 86 5.081 5.046 0.035 1
1 854 . 17 1 1 A 86 86 THR CA C 86 63.525 62.243 1.282 1
1 855 . 17 1 1 A 86 86 THR CB C 86 68.690 69.481 -0.791 1
1 857 . 17 1 1 A 86 86 THR N N 86 121.842 120.508 1.334 1
1 858 . 17 1 1 A 87 87 ILE H H 87 10.109 9.034 1.075 1
1 859 . 17 1 1 A 87 87 ILE HA H 87 4.539 4.681 -0.142 1
1 869 . 17 1 1 A 87 87 ILE CA C 87 58.954 57.787 1.167 1
1 870 . 17 1 1 A 87 87 ILE CB C 87 40.704 38.721 1.983 1
1 874 . 17 1 1 A 87 87 ILE N N 87 129.512 128.346 1.166 1
1 875 . 17 1 1 A 88 88 PRO HA H 88 4.981 4.701 0.280 1
1 882 . 17 1 1 A 88 88 PRO CA C 88 61.675 61.770 -0.095 1
1 883 . 17 1 1 A 88 88 PRO CB C 88 30.917 32.600 -1.683 1
1 886 . 17 1 1 A 89 89 PRO HA H 89 4.439 4.317 0.122 1
1 893 . 17 1 1 A 89 89 PRO CA C 89 65.384 65.326 0.058 1
1 894 . 17 1 1 A 89 89 PRO CB C 89 30.913 32.088 -1.175 1
1 897 . 17 1 1 A 90 90 GLN H H 90 9.574 8.909 0.665 1
1 898 . 17 1 1 A 90 90 GLN HA H 90 4.296 4.193 0.103 1
1 905 . 17 1 1 A 90 90 GLN CA C 90 58.441 57.497 0.944 1
1 906 . 17 1 1 A 90 90 GLN CB C 90 26.402 27.390 -0.988 1
1 908 . 17 1 1 A 90 90 GLN N N 90 118.710 115.532 3.178 1
1 910 . 17 1 1 A 91 91 LEU H H 91 7.976 7.351 0.625 1
1 911 . 17 1 1 A 91 91 LEU HA H 91 4.636 4.595 0.041 1
1 921 . 17 1 1 A 91 91 LEU CA C 91 53.625 54.357 -0.732 1
1 922 . 17 1 1 A 91 91 LEU CB C 91 42.819 43.462 -0.643 1
1 926 . 17 1 1 A 91 91 LEU N N 91 119.302 118.640 0.662 1
1 927 . 17 1 1 A 92 92 GLY H H 92 7.717 7.875 -0.158 1
1 928 . 17 1 1 A 92 92 GLY HA2 H 92 3.258 4.146 -0.888 1
1 929 . 17 1 1 A 92 92 GLY HA3 H 92 4.121 4.183 -0.062 1
1 930 . 17 1 1 A 92 92 GLY CA C 92 45.183 45.892 -0.709 1
1 931 . 17 1 1 A 92 92 GLY N N 92 110.415 107.275 3.140 1
1 932 . 17 1 1 A 93 93 TYR H H 93 9.662 8.647 1.015 1
1 933 . 17 1 1 A 93 93 TYR HA H 93 4.513 4.268 0.245 1
1 940 . 17 1 1 A 93 93 TYR CA C 93 58.603 60.927 -2.324 1
1 941 . 17 1 1 A 93 93 TYR CB C 93 37.762 38.950 -1.188 1
1 942 . 17 1 1 A 93 93 TYR N N 93 126.998 122.835 4.163 1
1 943 . 17 1 1 A 94 94 GLY H H 94 8.467 7.927 0.540 1
1 944 . 17 1 1 A 94 94 GLY HA2 H 94 3.633 4.121 -0.488 1
1 945 . 17 1 1 A 94 94 GLY HA3 H 94 3.888 4.132 -0.244 1
1 946 . 17 1 1 A 94 94 GLY CA C 94 47.023 43.779 3.244 1
1 947 . 17 1 1 A 94 94 GLY N N 94 108.486 105.540 2.946 1
1 948 . 17 1 1 A 95 95 ALA H H 95 7.636 8.558 -0.922 1
1 949 . 17 1 1 A 95 95 ALA HA H 95 4.151 4.239 -0.088 1
1 953 . 17 1 1 A 95 95 ALA CA C 95 53.326 53.000 0.326 1
1 954 . 17 1 1 A 95 95 ALA CB C 95 18.831 18.883 -0.052 1
1 955 . 17 1 1 A 96 96 ARG H H 96 7.910 7.815 0.095 1
1 956 . 17 1 1 A 96 96 ARG HA H 96 4.227 4.178 0.049 1
1 963 . 17 1 1 A 96 96 ARG CA C 96 57.514 56.446 1.068 1
1 964 . 17 1 1 A 96 96 ARG CB C 96 31.353 30.312 1.041 1
1 967 . 17 1 1 A 96 96 ARG N N 96 115.669 116.464 -0.795 1
1 968 . 17 1 1 A 97 97 GLY H H 97 6.917 7.910 -0.993 1
1 969 . 17 1 1 A 97 97 GLY HA2 H 97 3.272 4.020 -0.748 1
1 970 . 17 1 1 A 97 97 GLY HA3 H 97 3.908 4.055 -0.147 1
1 971 . 17 1 1 A 97 97 GLY CA C 97 44.693 44.899 -0.206 1
1 972 . 17 1 1 A 97 97 GLY N N 97 103.795 107.502 -3.707 1
1 973 . 17 1 1 A 98 98 ALA H H 98 8.187 8.578 -0.391 1
1 974 . 17 1 1 A 98 98 ALA HA H 98 4.287 4.601 -0.314 1
1 978 . 17 1 1 A 98 98 ALA CA C 98 52.717 52.769 -0.052 1
1 979 . 17 1 1 A 98 98 ALA CB C 98 20.563 22.021 -1.458 1
1 980 . 17 1 1 A 98 98 ALA N N 98 118.770 120.796 -2.026 1
1 981 . 17 1 1 A 99 99 GLY H H 99 8.904 7.860 1.044 1
1 982 . 17 1 1 A 99 99 GLY HA2 H 99 3.670 4.095 -0.425 1
1 983 . 17 1 1 A 99 99 GLY HA3 H 99 3.854 4.095 -0.241 1
1 984 . 17 1 1 A 99 99 GLY CA C 99 46.848 45.504 1.344 1
1 985 . 17 1 1 A 99 99 GLY N N 99 109.717 104.392 5.325 1
1 986 . 17 1 1 A 100 100 GLY H H 100 8.759 8.931 -0.172 1
1 987 . 17 1 1 A 100 100 GLY HA2 H 100 3.719 3.823 -0.104 1
1 988 . 17 1 1 A 100 100 GLY HA3 H 100 4.041 3.825 0.216 1
1 989 . 17 1 1 A 100 100 GLY CA C 100 45.655 47.134 -1.479 1
1 990 . 17 1 1 A 100 100 GLY N N 100 110.895 108.807 2.088 1
1 991 . 17 1 1 A 101 101 VAL H H 101 7.631 7.431 0.200 1
1 992 . 17 1 1 A 101 101 VAL HA H 101 4.226 4.235 -0.009 1
1 1000 . 17 1 1 A 101 101 VAL CA C 101 62.518 60.748 1.770 1
1 1001 . 17 1 1 A 101 101 VAL CB C 101 34.660 31.517 3.143 1
1 1004 . 17 1 1 A 101 101 VAL N N 101 115.165 115.480 -0.315 1
1 1005 . 17 1 1 A 102 102 ILE H H 102 7.686 7.569 0.117 1
1 1006 . 17 1 1 A 102 102 ILE HA H 102 4.351 4.617 -0.266 1
1 1016 . 17 1 1 A 102 102 ILE CA C 102 57.498 58.071 -0.573 1
1 1017 . 17 1 1 A 102 102 ILE CB C 102 38.189 39.562 -1.373 1
1 1021 . 17 1 1 A 102 102 ILE N N 102 120.043 122.689 -2.646 1
1 1022 . 17 1 1 A 103 103 PRO HA H 103 4.727 4.721 0.006 1
1 1029 . 17 1 1 A 103 103 PRO CA C 103 61.614 61.693 -0.079 1
1 1030 . 17 1 1 A 103 103 PRO CB C 103 31.055 32.633 -1.578 1
1 1033 . 17 1 1 A 104 104 PRO HA H 104 3.778 4.446 -0.668 1
1 1040 . 17 1 1 A 104 104 PRO CA C 104 63.599 64.669 -1.070 1
1 1041 . 17 1 1 A 104 104 PRO CB C 104 33.183 31.654 1.529 1
1 1044 . 17 1 1 A 105 105 ASN H H 105 8.581 8.286 0.295 1
1 1045 . 17 1 1 A 105 105 ASN HA H 105 3.928 5.057 -1.129 1
1 1050 . 17 1 1 A 105 105 ASN CA C 105 54.447 52.268 2.179 1
1 1051 . 17 1 1 A 105 105 ASN CB C 105 37.280 38.908 -1.628 1
1 1052 . 17 1 1 A 105 105 ASN N N 105 117.269 115.733 1.536 1
1 1054 . 17 1 1 A 106 106 ALA H H 106 7.637 7.153 0.484 1
1 1055 . 17 1 1 A 106 106 ALA HA H 106 4.456 4.363 0.093 1
1 1059 . 17 1 1 A 106 106 ALA CA C 106 52.493 52.280 0.213 1
1 1060 . 17 1 1 A 106 106 ALA CB C 106 20.938 19.724 1.214 1
1 1061 . 17 1 1 A 106 106 ALA N N 106 121.257 122.325 -1.068 1
1 1062 . 17 1 1 A 107 107 THR H H 107 8.492 8.501 -0.009 1
1 1063 . 17 1 1 A 107 107 THR HA H 107 4.781 4.879 -0.098 1
1 1068 . 17 1 1 A 107 107 THR CA C 107 63.319 62.128 1.191 1
1 1069 . 17 1 1 A 107 107 THR CB C 107 69.430 70.652 -1.222 1
1 1071 . 17 1 1 A 107 107 THR N N 107 121.742 118.356 3.386 1
1 1072 . 17 1 1 A 108 108 LEU H H 108 8.900 8.829 0.071 1
1 1073 . 17 1 1 A 108 108 LEU HA H 108 5.132 5.150 -0.018 1
1 1083 . 17 1 1 A 108 108 LEU CA C 108 52.950 53.599 -0.649 1
1 1084 . 17 1 1 A 108 108 LEU CB C 108 46.730 44.225 2.505 1
1 1088 . 17 1 1 A 108 108 LEU N N 108 125.279 125.061 0.218 1
1 1089 . 17 1 1 A 109 109 VAL H H 109 8.933 8.822 0.111 1
1 1090 . 17 1 1 A 109 109 VAL HA H 109 5.532 4.855 0.677 1
1 1098 . 17 1 1 A 109 109 VAL CA C 109 60.793 61.492 -0.699 1
1 1099 . 17 1 1 A 109 109 VAL CB C 109 34.138 33.277 0.861 1
1 1102 . 17 1 1 A 109 109 VAL N N 109 122.496 125.175 -2.679 1
1 1103 . 17 1 1 A 110 110 PHE H H 110 9.737 9.063 0.674 1
1 1104 . 17 1 1 A 110 110 PHE HA H 110 6.457 5.143 1.314 1
1 1112 . 17 1 1 A 110 110 PHE CA C 110 55.265 56.180 -0.915 1
1 1113 . 17 1 1 A 110 110 PHE CB C 110 44.818 43.168 1.650 1
1 1114 . 17 1 1 A 110 110 PHE N N 110 121.114 123.996 -2.882 1
1 1115 . 17 1 1 A 111 111 GLU H H 111 9.223 8.688 0.535 1
1 1116 . 17 1 1 A 111 111 GLU HA H 111 5.202 4.686 0.516 1
1 1121 . 17 1 1 A 111 111 GLU CA C 111 56.709 55.259 1.450 1
1 1122 . 17 1 1 A 111 111 GLU CB C 111 32.338 30.966 1.372 1
1 1124 . 17 1 1 A 111 111 GLU N N 111 122.210 123.505 -1.295 1
1 1125 . 17 1 1 A 112 112 VAL H H 112 9.269 8.695 0.574 1
1 1126 . 17 1 1 A 112 112 VAL HA H 112 4.796 4.944 -0.148 1
1 1134 . 17 1 1 A 112 112 VAL CA C 112 61.127 61.168 -0.041 1
1 1135 . 17 1 1 A 112 112 VAL CB C 112 34.634 33.404 1.230 1
1 1136 . 17 1 1 A 112 112 VAL N N 112 126.195 126.753 -0.558 1
1 1137 . 17 1 1 A 113 113 GLU H H 113 9.545 9.052 0.493 1
1 1138 . 17 1 1 A 113 113 GLU HA H 113 5.483 5.081 0.402 1
1 1143 . 17 1 1 A 113 113 GLU CA C 113 53.159 55.184 -2.025 1
1 1144 . 17 1 1 A 113 113 GLU CB C 113 32.657 32.992 -0.335 1
1 1146 . 17 1 1 A 113 113 GLU N N 113 128.111 128.001 0.110 1
1 1147 . 17 1 1 A 114 114 LEU H H 114 8.261 8.575 -0.314 1
1 1148 . 17 1 1 A 114 114 LEU HA H 114 4.634 4.367 0.267 1
1 1158 . 17 1 1 A 114 114 LEU CA C 114 55.217 56.542 -1.325 1
1 1159 . 17 1 1 A 114 114 LEU CB C 114 41.826 42.283 -0.457 1
1 1163 . 17 1 1 A 114 114 LEU N N 114 126.273 128.621 -2.348 1
1 1164 . 17 1 1 A 115 115 LEU H H 115 9.258 8.731 0.527 1
1 1165 . 17 1 1 A 115 115 LEU HA H 115 4.453 4.470 -0.017 1
1 1175 . 17 1 1 A 115 115 LEU CA C 115 55.791 55.982 -0.191 1
1 1176 . 17 1 1 A 115 115 LEU CB C 115 42.897 43.146 -0.249 1
1 1180 . 17 1 1 A 115 115 LEU N N 115 130.031 127.196 2.835 1
1 1181 . 17 1 1 A 116 116 ASP H H 116 7.748 7.318 0.430 1
1 1182 . 17 1 1 A 116 116 ASP HA H 116 4.672 4.948 -0.276 1
1 1185 . 17 1 1 A 116 116 ASP CA C 116 54.385 53.689 0.696 1
1 1186 . 17 1 1 A 116 116 ASP CB C 116 43.828 43.903 -0.075 1
1 1187 . 17 1 1 A 116 116 ASP N N 116 115.338 113.876 1.462 1
1 1 . 18 1 1 A 3 3 GLY H H 3 8.684 8.784 -0.100 1
1 2 . 18 1 1 A 3 3 GLY HA2 H 3 3.959 3.990 -0.031 1
1 3 . 18 1 1 A 3 3 GLY HA3 H 3 3.959 3.993 -0.034 1
1 4 . 18 1 1 A 3 3 GLY N N 3 110.167 108.923 1.244 1
1 5 . 18 1 1 A 4 4 SER H H 4 8.315 7.858 0.457 1
1 6 . 18 1 1 A 4 4 SER HA H 4 4.468 4.479 -0.011 1
1 9 . 18 1 1 A 4 4 SER CA C 4 58.355 60.704 -2.349 1
1 10 . 18 1 1 A 4 4 SER N N 4 115.851 114.331 1.520 1
1 11 . 18 1 1 A 5 5 MET H H 5 8.640 7.972 0.668 1
1 12 . 18 1 1 A 5 5 MET HA H 5 4.554 4.743 -0.189 1
1 17 . 18 1 1 A 5 5 MET CA C 5 55.754 54.124 1.630 1
1 18 . 18 1 1 A 5 5 MET CB C 5 32.870 33.108 -0.238 1
1 20 . 18 1 1 A 5 5 MET N N 5 122.413 119.384 3.029 1
1 21 . 18 1 1 A 6 6 THR H H 6 8.265 8.843 -0.578 1
1 22 . 18 1 1 A 6 6 THR HA H 6 4.296 5.222 -0.926 1
1 27 . 18 1 1 A 6 6 THR CA C 6 62.224 59.627 2.597 1
1 28 . 18 1 1 A 6 6 THR CB C 6 69.806 71.927 -2.121 1
1 30 . 18 1 1 A 6 6 THR N N 6 116.270 117.057 -0.787 1
1 31 . 18 1 1 A 7 7 VAL H H 7 8.068 8.429 -0.361 1
1 32 . 18 1 1 A 7 7 VAL HA H 7 4.200 4.425 -0.225 1
1 40 . 18 1 1 A 7 7 VAL CA C 7 62.021 61.701 0.320 1
1 41 . 18 1 1 A 7 7 VAL CB C 7 32.773 32.990 -0.217 1
1 44 . 18 1 1 A 7 7 VAL N N 7 124.632 123.367 1.265 1
1 45 . 18 1 1 A 8 8 VAL H H 8 8.985 8.361 0.624 1
1 46 . 18 1 1 A 8 8 VAL HA H 8 3.872 4.581 -0.709 1
1 54 . 18 1 1 A 8 8 VAL CA C 8 61.848 60.525 1.323 1
1 55 . 18 1 1 A 8 8 VAL CB C 8 33.157 33.092 0.065 1
1 58 . 18 1 1 A 8 8 VAL N N 8 132.503 129.906 2.597 1
1 59 . 18 1 1 A 9 9 THR H H 9 8.213 8.907 -0.694 1
1 60 . 18 1 1 A 9 9 THR HA H 9 5.250 4.955 0.295 1
1 65 . 18 1 1 A 9 9 THR CA C 9 61.040 61.364 -0.324 1
1 66 . 18 1 1 A 9 9 THR CB C 9 69.773 71.024 -1.251 1
1 68 . 18 1 1 A 9 9 THR N N 9 121.386 122.906 -1.520 1
1 69 . 18 1 1 A 10 10 THR H H 10 9.318 8.624 0.694 1
1 70 . 18 1 1 A 10 10 THR HA H 10 4.693 4.926 -0.233 1
1 75 . 18 1 1 A 10 10 THR CA C 10 60.077 60.173 -0.096 1
1 76 . 18 1 1 A 10 10 THR CB C 10 70.131 70.729 -0.598 1
1 78 . 18 1 1 A 10 10 THR N N 10 119.882 115.422 4.460 1
1 79 . 18 1 1 A 11 11 GLU H H 11 9.051 8.991 0.060 1
1 80 . 18 1 1 A 11 11 GLU HA H 11 4.028 4.021 0.007 1
1 85 . 18 1 1 A 11 11 GLU CA C 11 59.072 59.297 -0.225 1
1 86 . 18 1 1 A 11 11 GLU CB C 11 29.516 29.275 0.241 1
1 88 . 18 1 1 A 11 11 GLU N N 11 120.586 122.498 -1.912 1
1 89 . 18 1 1 A 12 12 SER H H 12 8.445 7.944 0.501 1
1 90 . 18 1 1 A 12 12 SER HA H 12 4.302 4.437 -0.135 1
1 93 . 18 1 1 A 12 12 SER CA C 12 58.483 59.530 -1.047 1
1 94 . 18 1 1 A 12 12 SER CB C 12 63.034 64.522 -1.488 1
1 95 . 18 1 1 A 12 12 SER N N 12 114.574 112.830 1.744 1
1 96 . 18 1 1 A 13 13 GLY H H 13 7.798 7.522 0.276 1
1 97 . 18 1 1 A 13 13 GLY HA2 H 13 3.425 4.068 -0.643 1
1 98 . 18 1 1 A 13 13 GLY HA3 H 13 4.401 4.068 0.333 1
1 99 . 18 1 1 A 13 13 GLY CA C 13 44.276 45.290 -1.014 1
1 100 . 18 1 1 A 13 13 GLY N N 13 109.024 110.028 -1.004 1
1 101 . 18 1 1 A 14 14 LEU H H 14 7.501 7.467 0.034 1
1 102 . 18 1 1 A 14 14 LEU HA H 14 3.967 4.439 -0.472 1
1 112 . 18 1 1 A 14 14 LEU CA C 14 56.343 55.943 0.400 1
1 113 . 18 1 1 A 14 14 LEU CB C 14 41.856 42.785 -0.929 1
1 117 . 18 1 1 A 14 14 LEU N N 14 123.870 123.171 0.699 1
1 118 . 18 1 1 A 15 15 LYS H H 15 7.812 8.518 -0.706 1
1 119 . 18 1 1 A 15 15 LYS HA H 15 5.942 5.327 0.615 1
1 127 . 18 1 1 A 15 15 LYS CA C 15 54.052 54.305 -0.253 1
1 128 . 18 1 1 A 15 15 LYS CB C 15 36.289 35.901 0.388 1
1 132 . 18 1 1 A 15 15 LYS N N 15 123.667 125.137 -1.470 1
1 133 . 18 1 1 A 16 16 TYR H H 16 9.289 8.941 0.348 1
1 134 . 18 1 1 A 16 16 TYR HA H 16 5.996 5.531 0.465 1
1 141 . 18 1 1 A 16 16 TYR CA C 16 55.784 56.276 -0.492 1
1 142 . 18 1 1 A 16 16 TYR CB C 16 43.297 41.851 1.446 1
1 143 . 18 1 1 A 16 16 TYR N N 16 117.890 117.749 0.141 1
1 144 . 18 1 1 A 17 17 GLU H H 17 8.728 8.948 -0.220 1
1 145 . 18 1 1 A 17 17 GLU HA H 17 4.860 4.804 0.056 1
1 150 . 18 1 1 A 17 17 GLU CA C 17 54.072 54.822 -0.750 1
1 151 . 18 1 1 A 17 17 GLU CB C 17 35.222 33.323 1.899 1
1 152 . 18 1 1 A 17 17 GLU N N 17 118.386 121.872 -3.486 1
1 153 . 18 1 1 A 18 18 ASP H H 18 9.596 8.753 0.843 1
1 154 . 18 1 1 A 18 18 ASP HA H 18 5.296 4.778 0.518 1
1 157 . 18 1 1 A 18 18 ASP CA C 18 55.695 54.741 0.954 1
1 158 . 18 1 1 A 18 18 ASP CB C 18 40.940 41.188 -0.248 1
1 159 . 18 1 1 A 18 18 ASP N N 18 127.059 127.339 -0.280 1
1 160 . 18 1 1 A 19 19 LEU H H 19 8.609 9.009 -0.400 1
1 161 . 18 1 1 A 19 19 LEU HA H 19 4.275 4.593 -0.318 1
1 171 . 18 1 1 A 19 19 LEU CA C 19 56.923 55.978 0.945 1
1 172 . 18 1 1 A 19 19 LEU CB C 19 41.074 43.967 -2.893 1
1 176 . 18 1 1 A 19 19 LEU N N 19 128.620 126.884 1.736 1
1 177 . 18 1 1 A 20 20 THR H H 20 8.136 7.941 0.195 1
1 178 . 18 1 1 A 20 20 THR HA H 20 4.400 4.800 -0.400 1
1 183 . 18 1 1 A 20 20 THR CA C 20 61.835 61.486 0.349 1
1 184 . 18 1 1 A 20 20 THR CB C 20 72.411 71.354 1.057 1
1 186 . 18 1 1 A 20 20 THR N N 20 112.473 111.960 0.513 1
1 187 . 18 1 1 A 21 21 GLU H H 21 9.354 8.686 0.668 1
1 188 . 18 1 1 A 21 21 GLU HA H 21 4.370 4.306 0.064 1
1 193 . 18 1 1 A 21 21 GLU CA C 21 56.277 55.804 0.473 1
1 194 . 18 1 1 A 21 21 GLU CB C 21 30.368 30.171 0.197 1
1 196 . 18 1 1 A 21 21 GLU N N 21 130.043 126.310 3.733 1
1 197 . 18 1 1 A 22 22 GLY H H 22 9.071 8.444 0.627 1
1 198 . 18 1 1 A 22 22 GLY HA2 H 22 3.446 4.208 -0.762 1
1 199 . 18 1 1 A 22 22 GLY HA3 H 22 3.742 4.209 -0.467 1
1 200 . 18 1 1 A 22 22 GLY CA C 22 45.343 45.315 0.028 1
1 201 . 18 1 1 A 22 22 GLY N N 22 113.930 108.130 5.800 1
1 202 . 18 1 1 A 23 23 SER H H 23 8.040 8.878 -0.838 1
1 203 . 18 1 1 A 23 23 SER HA H 23 4.671 4.678 -0.007 1
1 206 . 18 1 1 A 23 23 SER CA C 23 57.488 57.968 -0.480 1
1 207 . 18 1 1 A 23 23 SER CB C 23 65.069 61.227 3.842 1
1 208 . 18 1 1 A 23 23 SER N N 23 111.747 123.065 -11.318 1
1 209 . 18 1 1 A 24 24 GLY H H 24 8.418 8.390 0.028 1
1 210 . 18 1 1 A 24 24 GLY HA2 H 24 3.693 4.147 -0.454 1
1 211 . 18 1 1 A 24 24 GLY HA3 H 24 4.328 4.147 0.181 1
1 212 . 18 1 1 A 24 24 GLY CA C 24 44.138 44.696 -0.558 1
1 213 . 18 1 1 A 24 24 GLY N N 24 111.391 112.521 -1.130 1
1 214 . 18 1 1 A 25 25 ALA H H 25 8.342 8.496 -0.154 1
1 215 . 18 1 1 A 25 25 ALA HA H 25 4.061 5.223 -1.162 1
1 219 . 18 1 1 A 25 25 ALA CA C 25 52.551 50.483 2.068 1
1 220 . 18 1 1 A 25 25 ALA CB C 25 19.752 22.578 -2.826 1
1 221 . 18 1 1 A 25 25 ALA N N 25 123.675 124.234 -0.559 1
1 222 . 18 1 1 A 26 26 GLU H H 26 8.194 8.517 -0.323 1
1 223 . 18 1 1 A 26 26 GLU HA H 26 4.498 4.525 -0.027 1
1 228 . 18 1 1 A 26 26 GLU CA C 26 55.174 56.790 -1.616 1
1 229 . 18 1 1 A 26 26 GLU CB C 26 31.906 29.962 1.944 1
1 231 . 18 1 1 A 26 26 GLU N N 26 119.186 122.815 -3.629 1
1 232 . 18 1 1 A 27 27 ALA H H 27 8.930 8.136 0.794 1
1 233 . 18 1 1 A 27 27 ALA HA H 27 4.527 4.269 0.258 1
1 237 . 18 1 1 A 27 27 ALA CA C 27 51.815 52.943 -1.128 1
1 238 . 18 1 1 A 27 27 ALA CB C 27 19.057 19.116 -0.059 1
1 239 . 18 1 1 A 27 27 ALA N N 27 127.513 127.541 -0.028 1
1 240 . 18 1 1 A 28 28 ARG H H 28 8.348 8.862 -0.514 1
1 241 . 18 1 1 A 28 28 ARG HA H 28 4.563 4.910 -0.347 1
1 246 . 18 1 1 A 28 28 ARG CA C 28 53.584 54.237 -0.653 1
1 247 . 18 1 1 A 28 28 ARG CB C 28 33.571 34.128 -0.557 1
1 250 . 18 1 1 A 28 28 ARG N N 28 124.054 122.715 1.339 1
1 251 . 18 1 1 A 29 29 ALA H H 29 8.387 8.727 -0.340 1
1 252 . 18 1 1 A 29 29 ALA HA H 29 3.594 4.158 -0.564 1
1 256 . 18 1 1 A 29 29 ALA CA C 29 53.535 53.895 -0.360 1
1 257 . 18 1 1 A 29 29 ALA CB C 29 17.781 18.403 -0.622 1
1 258 . 18 1 1 A 29 29 ALA N N 29 122.289 125.931 -3.642 1
1 259 . 18 1 1 A 30 30 GLY H H 30 9.043 8.932 0.111 1
1 260 . 18 1 1 A 30 30 GLY HA2 H 30 3.451 4.009 -0.558 1
1 261 . 18 1 1 A 30 30 GLY HA3 H 30 4.378 4.009 0.369 1
1 262 . 18 1 1 A 30 30 GLY CA C 30 44.562 45.080 -0.518 1
1 263 . 18 1 1 A 30 30 GLY N N 30 110.956 111.099 -0.143 1
1 264 . 18 1 1 A 31 31 GLN H H 31 7.620 7.621 -0.001 1
1 265 . 18 1 1 A 31 31 GLN HA H 31 4.343 4.564 -0.221 1
1 272 . 18 1 1 A 31 31 GLN CA C 31 55.410 54.967 0.443 1
1 273 . 18 1 1 A 31 31 GLN CB C 31 30.151 30.367 -0.216 1
1 275 . 18 1 1 A 31 31 GLN N N 31 119.756 118.853 0.903 1
1 277 . 18 1 1 A 32 32 THR H H 32 8.793 8.510 0.283 1
1 278 . 18 1 1 A 32 32 THR HA H 32 4.463 4.820 -0.357 1
1 283 . 18 1 1 A 32 32 THR CA C 32 63.072 62.283 0.789 1
1 284 . 18 1 1 A 32 32 THR CB C 32 68.380 69.914 -1.534 1
1 286 . 18 1 1 A 32 32 THR N N 32 119.718 118.988 0.730 1
1 287 . 18 1 1 A 33 33 VAL H H 33 8.393 8.968 -0.575 1
1 288 . 18 1 1 A 33 33 VAL HA H 33 4.712 4.922 -0.210 1
1 296 . 18 1 1 A 33 33 VAL CA C 33 58.274 59.152 -0.878 1
1 297 . 18 1 1 A 33 33 VAL CB C 33 33.309 36.265 -2.956 1
1 300 . 18 1 1 A 33 33 VAL N N 33 120.513 120.188 0.325 1
1 301 . 18 1 1 A 34 34 SER H H 34 7.865 8.602 -0.737 1
1 302 . 18 1 1 A 34 34 SER HA H 34 5.262 5.316 -0.054 1
1 305 . 18 1 1 A 34 34 SER CA C 34 56.443 57.807 -1.364 1
1 306 . 18 1 1 A 34 34 SER CB C 34 64.882 64.242 0.640 1
1 307 . 18 1 1 A 34 34 SER N N 34 113.652 118.606 -4.954 1
1 308 . 18 1 1 A 35 35 VAL H H 35 9.531 9.635 -0.104 1
1 309 . 18 1 1 A 35 35 VAL HA H 35 5.715 5.378 0.337 1
1 317 . 18 1 1 A 35 35 VAL CA C 35 58.226 58.520 -0.294 1
1 318 . 18 1 1 A 35 35 VAL CB C 35 35.412 35.511 -0.099 1
1 321 . 18 1 1 A 35 35 VAL N N 35 117.985 119.506 -1.521 1
1 322 . 18 1 1 A 36 36 HIS H H 36 8.812 8.802 0.010 1
1 323 . 18 1 1 A 36 36 HIS HA H 36 5.784 5.579 0.205 1
1 328 . 18 1 1 A 36 36 HIS CA C 36 54.671 53.451 1.220 1
1 329 . 18 1 1 A 36 36 HIS CB C 36 35.786 32.460 3.326 1
1 330 . 18 1 1 A 36 36 HIS N N 36 118.227 120.949 -2.722 1
1 331 . 18 1 1 A 37 37 TYR H H 37 9.680 8.898 0.782 1
1 332 . 18 1 1 A 37 37 TYR HA H 37 6.201 5.925 0.276 1
1 339 . 18 1 1 A 37 37 TYR CA C 37 56.280 55.406 0.874 1
1 340 . 18 1 1 A 37 37 TYR CB C 37 43.791 41.260 2.531 1
1 341 . 18 1 1 A 37 37 TYR N N 37 116.878 119.663 -2.785 1
1 342 . 18 1 1 A 38 38 THR H H 38 8.478 8.739 -0.261 1
1 343 . 18 1 1 A 38 38 THR HA H 38 4.374 4.557 -0.183 1
1 348 . 18 1 1 A 38 38 THR CA C 38 62.692 60.138 2.554 1
1 349 . 18 1 1 A 38 38 THR CB C 38 71.675 69.650 2.025 1
1 351 . 18 1 1 A 38 38 THR N N 38 117.172 117.795 -0.623 1
1 352 . 18 1 1 A 39 39 GLY H H 39 8.332 8.328 0.004 1
1 353 . 18 1 1 A 39 39 GLY HA2 H 39 1.943 2.111 -0.168 1
1 354 . 18 1 1 A 39 39 GLY HA3 H 39 4.624 2.764 1.860 1
1 355 . 18 1 1 A 39 39 GLY CA C 39 44.767 44.724 0.043 1
1 356 . 18 1 1 A 39 39 GLY N N 39 113.042 112.420 0.622 1
1 357 . 18 1 1 A 40 40 TRP H H 40 9.669 8.592 1.077 1
1 358 . 18 1 1 A 40 40 TRP HA H 40 5.499 5.292 0.207 1
1 366 . 18 1 1 A 40 40 TRP CA C 40 57.026 55.703 1.323 1
1 367 . 18 1 1 A 40 40 TRP CB C 40 34.177 32.169 2.008 1
1 368 . 18 1 1 A 40 40 TRP N N 40 123.550 125.526 -1.976 1
1 370 . 18 1 1 A 41 41 LEU H H 41 8.699 9.020 -0.321 1
1 371 . 18 1 1 A 41 41 LEU HA H 41 5.056 4.757 0.299 1
1 381 . 18 1 1 A 41 41 LEU CA C 41 54.040 54.053 -0.013 1
1 382 . 18 1 1 A 41 41 LEU CB C 41 41.981 42.316 -0.335 1
1 386 . 18 1 1 A 41 41 LEU N N 41 119.318 123.767 -4.449 1
1 387 . 18 1 1 A 42 42 THR H H 42 9.418 8.852 0.566 1
1 388 . 18 1 1 A 42 42 THR HA H 42 3.962 4.047 -0.085 1
1 393 . 18 1 1 A 42 42 THR CA C 42 65.117 65.031 0.086 1
1 394 . 18 1 1 A 42 42 THR CB C 42 68.693 68.491 0.202 1
1 396 . 18 1 1 A 42 42 THR N N 42 112.465 117.317 -4.852 1
1 397 . 18 1 1 A 43 43 ASP H H 43 7.690 7.937 -0.247 1
1 398 . 18 1 1 A 43 43 ASP HA H 43 4.538 4.539 -0.001 1
1 401 . 18 1 1 A 43 43 ASP CA C 43 53.655 53.468 0.187 1
1 402 . 18 1 1 A 43 43 ASP CB C 43 40.109 41.172 -1.063 1
1 403 . 18 1 1 A 43 43 ASP N N 43 118.952 118.893 0.059 1
1 404 . 18 1 1 A 44 44 GLY H H 44 8.043 8.102 -0.059 1
1 405 . 18 1 1 A 44 44 GLY HA2 H 44 3.521 3.930 -0.409 1
1 406 . 18 1 1 A 44 44 GLY HA3 H 44 4.318 3.940 0.378 1
1 407 . 18 1 1 A 44 44 GLY CA C 44 44.869 44.909 -0.040 1
1 408 . 18 1 1 A 44 44 GLY N N 44 107.790 108.498 -0.708 1
1 409 . 18 1 1 A 45 45 GLN H H 45 8.355 7.902 0.453 1
1 410 . 18 1 1 A 45 45 GLN HA H 45 4.319 4.397 -0.078 1
1 417 . 18 1 1 A 45 45 GLN CA C 45 56.909 55.004 1.905 1
1 418 . 18 1 1 A 45 45 GLN CB C 45 29.837 29.888 -0.051 1
1 420 . 18 1 1 A 45 45 GLN N N 45 121.541 121.557 -0.016 1
1 422 . 18 1 1 A 46 46 LYS H H 46 8.915 8.636 0.279 1
1 423 . 18 1 1 A 46 46 LYS HA H 46 4.454 4.588 -0.134 1
1 432 . 18 1 1 A 46 46 LYS CA C 46 55.782 56.863 -1.081 1
1 433 . 18 1 1 A 46 46 LYS CB C 46 33.097 33.255 -0.158 1
1 437 . 18 1 1 A 46 46 LYS N N 46 129.310 127.798 1.512 1
1 438 . 18 1 1 A 47 47 PHE H H 47 8.440 8.783 -0.343 1
1 439 . 18 1 1 A 47 47 PHE HA H 47 5.103 4.982 0.121 1
1 447 . 18 1 1 A 47 47 PHE CA C 47 56.272 56.585 -0.313 1
1 448 . 18 1 1 A 47 47 PHE CB C 47 41.094 40.756 0.338 1
1 449 . 18 1 1 A 47 47 PHE N N 47 122.874 122.360 0.514 1
1 450 . 18 1 1 A 48 48 ASP H H 48 6.744 7.482 -0.738 1
1 451 . 18 1 1 A 48 48 ASP HA H 48 4.790 4.835 -0.045 1
1 454 . 18 1 1 A 48 48 ASP CA C 48 54.518 54.255 0.263 1
1 455 . 18 1 1 A 48 48 ASP CB C 48 43.929 43.901 0.028 1
1 456 . 18 1 1 A 48 48 ASP N N 48 118.152 119.650 -1.498 1
1 457 . 18 1 1 A 49 49 SER H H 49 8.122 8.612 -0.490 1
1 458 . 18 1 1 A 49 49 SER HA H 49 4.608 5.003 -0.395 1
1 461 . 18 1 1 A 49 49 SER CA C 49 56.963 57.351 -0.388 1
1 462 . 18 1 1 A 49 49 SER CB C 49 64.699 65.329 -0.630 1
1 463 . 18 1 1 A 49 49 SER N N 49 117.585 119.213 -1.628 1
1 464 . 18 1 1 A 50 50 SER H H 50 8.020 8.749 -0.729 1
1 465 . 18 1 1 A 50 50 SER HA H 50 4.045 4.164 -0.119 1
1 468 . 18 1 1 A 50 50 SER CA C 50 61.482 61.391 0.091 1
1 469 . 18 1 1 A 50 50 SER CB C 50 61.488 63.156 -1.668 1
1 470 . 18 1 1 A 50 50 SER N N 50 124.801 120.876 3.925 1
1 471 . 18 1 1 A 51 51 LYS H H 51 7.730 7.768 -0.038 1
1 472 . 18 1 1 A 51 51 LYS HA H 51 3.505 3.706 -0.201 1
1 481 . 18 1 1 A 51 51 LYS CA C 51 58.921 58.770 0.151 1
1 482 . 18 1 1 A 51 51 LYS CB C 51 31.346 31.739 -0.393 1
1 486 . 18 1 1 A 51 51 LYS N N 51 124.103 121.342 2.761 1
1 487 . 18 1 1 A 52 52 ASP H H 52 7.324 7.844 -0.520 1
1 488 . 18 1 1 A 52 52 ASP HA H 52 4.284 4.394 -0.110 1
1 491 . 18 1 1 A 52 52 ASP CA C 52 56.524 56.671 -0.147 1
1 492 . 18 1 1 A 52 52 ASP CB C 52 40.201 40.545 -0.344 1
1 493 . 18 1 1 A 52 52 ASP N N 52 118.971 118.830 0.141 1
1 494 . 18 1 1 A 53 53 ARG H H 53 6.923 7.682 -0.759 1
1 495 . 18 1 1 A 53 53 ARG HA H 53 4.461 4.465 -0.004 1
1 502 . 18 1 1 A 53 53 ARG CA C 53 55.597 55.320 0.277 1
1 503 . 18 1 1 A 53 53 ARG CB C 53 31.289 30.306 0.983 1
1 506 . 18 1 1 A 53 53 ARG N N 53 114.803 116.680 -1.877 1
1 507 . 18 1 1 A 54 54 ASN H H 54 7.827 8.113 -0.286 1
1 508 . 18 1 1 A 54 54 ASN HA H 54 4.352 4.504 -0.152 1
1 513 . 18 1 1 A 54 54 ASN CA C 54 54.339 54.334 0.005 1
1 514 . 18 1 1 A 54 54 ASN CB C 54 37.849 37.485 0.364 1
1 515 . 18 1 1 A 54 54 ASN N N 54 117.421 116.283 1.138 1
1 517 . 18 1 1 A 55 55 ASP H H 55 7.580 7.899 -0.319 1
1 518 . 18 1 1 A 55 55 ASP HA H 55 5.360 5.170 0.190 1
1 521 . 18 1 1 A 55 55 ASP CA C 55 51.697 50.826 0.871 1
1 522 . 18 1 1 A 55 55 ASP CB C 55 43.377 41.504 1.873 1
1 523 . 18 1 1 A 55 55 ASP N N 55 115.802 119.429 -3.627 1
1 524 . 18 1 1 A 56 56 PRO HA H 56 4.022 3.423 0.599 1
1 531 . 18 1 1 A 56 56 PRO CA C 56 63.115 62.169 0.946 1
1 532 . 18 1 1 A 56 56 PRO CB C 56 32.348 31.862 0.486 1
1 535 . 18 1 1 A 57 57 PHE H H 57 9.207 8.488 0.719 1
1 536 . 18 1 1 A 57 57 PHE HA H 57 4.874 4.744 0.130 1
1 544 . 18 1 1 A 57 57 PHE CA C 57 57.290 57.778 -0.488 1
1 545 . 18 1 1 A 57 57 PHE CB C 57 42.517 39.527 2.990 1
1 546 . 18 1 1 A 57 57 PHE N N 57 124.509 123.246 1.263 1
1 547 . 18 1 1 A 58 58 ALA H H 58 7.942 8.770 -0.828 1
1 548 . 18 1 1 A 58 58 ALA HA H 58 5.928 5.768 0.160 1
1 552 . 18 1 1 A 58 58 ALA CA C 58 49.705 50.211 -0.506 1
1 553 . 18 1 1 A 58 58 ALA CB C 58 21.621 22.279 -0.658 1
1 554 . 18 1 1 A 58 58 ALA N N 58 130.661 130.045 0.616 1
1 555 . 18 1 1 A 59 59 PHE H H 59 8.455 8.788 -0.333 1
1 556 . 18 1 1 A 59 59 PHE HA H 59 4.660 5.051 -0.391 1
1 564 . 18 1 1 A 59 59 PHE CA C 59 55.610 56.117 -0.507 1
1 565 . 18 1 1 A 59 59 PHE CB C 59 40.857 40.673 0.184 1
1 566 . 18 1 1 A 59 59 PHE N N 59 114.967 117.279 -2.312 1
1 567 . 18 1 1 A 60 60 VAL H H 60 8.168 8.550 -0.382 1
1 568 . 18 1 1 A 60 60 VAL HA H 60 4.084 4.486 -0.402 1
1 576 . 18 1 1 A 60 60 VAL CA C 60 61.907 59.938 1.969 1
1 577 . 18 1 1 A 60 60 VAL CB C 60 31.564 33.720 -2.156 1
1 580 . 18 1 1 A 60 60 VAL N N 60 120.308 120.185 0.123 1
1 581 . 18 1 1 A 61 61 LEU H H 61 8.900 8.396 0.504 1
1 582 . 18 1 1 A 61 61 LEU HA H 61 4.248 3.855 0.393 1
1 592 . 18 1 1 A 61 61 LEU CA C 61 56.558 56.453 0.105 1
1 593 . 18 1 1 A 61 61 LEU CB C 61 41.736 41.618 0.118 1
1 597 . 18 1 1 A 61 61 LEU N N 61 134.513 129.227 5.286 1
1 598 . 18 1 1 A 62 62 GLY H H 62 9.652 8.920 0.732 1
1 599 . 18 1 1 A 62 62 GLY HA2 H 62 3.558 4.039 -0.481 1
1 600 . 18 1 1 A 62 62 GLY HA3 H 62 4.154 4.079 0.075 1
1 601 . 18 1 1 A 62 62 GLY CA C 62 45.721 45.566 0.155 1
1 602 . 18 1 1 A 62 62 GLY N N 62 119.352 115.380 3.972 1
1 603 . 18 1 1 A 63 63 GLY H H 63 8.338 8.044 0.294 1
1 604 . 18 1 1 A 63 63 GLY HA2 H 63 3.557 4.219 -0.662 1
1 605 . 18 1 1 A 63 63 GLY HA3 H 63 4.298 4.224 0.074 1
1 606 . 18 1 1 A 63 63 GLY CA C 63 45.442 45.825 -0.383 1
1 607 . 18 1 1 A 63 63 GLY N N 63 107.002 106.015 0.987 1
1 608 . 18 1 1 A 64 64 GLY H H 64 9.301 8.517 0.784 1
1 609 . 18 1 1 A 64 64 GLY HA2 H 64 4.057 4.214 -0.157 1
1 610 . 18 1 1 A 64 64 GLY HA3 H 64 4.057 4.226 -0.169 1
1 611 . 18 1 1 A 64 64 GLY CA C 64 46.425 45.409 1.016 1
1 612 . 18 1 1 A 64 64 GLY N N 64 112.092 107.781 4.311 1
1 613 . 18 1 1 A 65 65 MET H H 65 9.574 8.204 1.370 1
1 614 . 18 1 1 A 65 65 MET HA H 65 4.546 4.129 0.417 1
1 619 . 18 1 1 A 65 65 MET CA C 65 55.641 56.395 -0.754 1
1 620 . 18 1 1 A 65 65 MET CB C 65 33.268 31.181 2.087 1
1 622 . 18 1 1 A 65 65 MET N N 65 118.659 117.412 1.247 1
1 623 . 18 1 1 A 66 66 VAL H H 66 6.867 7.739 -0.872 1
1 624 . 18 1 1 A 66 66 VAL HA H 66 4.454 4.537 -0.083 1
1 632 . 18 1 1 A 66 66 VAL CA C 66 57.545 59.071 -1.526 1
1 633 . 18 1 1 A 66 66 VAL CB C 66 35.736 34.637 1.099 1
1 636 . 18 1 1 A 66 66 VAL N N 66 108.649 113.304 -4.655 1
1 637 . 18 1 1 A 67 67 ILE H H 67 7.158 7.722 -0.564 1
1 638 . 18 1 1 A 67 67 ILE HA H 67 3.894 4.144 -0.250 1
1 648 . 18 1 1 A 67 67 ILE CA C 67 62.065 61.530 0.535 1
1 649 . 18 1 1 A 67 67 ILE CB C 67 37.130 38.591 -1.461 1
1 653 . 18 1 1 A 67 67 ILE N N 67 111.614 117.360 -5.746 1
1 654 . 18 1 1 A 68 68 LYS H H 68 9.182 8.886 0.296 1
1 655 . 18 1 1 A 68 68 LYS HA H 68 4.241 3.949 0.292 1
1 664 . 18 1 1 A 68 68 LYS CA C 68 60.042 59.561 0.481 1
1 665 . 18 1 1 A 68 68 LYS CB C 68 33.366 32.224 1.142 1
1 669 . 18 1 1 A 68 68 LYS N N 68 125.685 123.334 2.351 1
1 670 . 18 1 1 A 69 69 GLY H H 69 9.653 8.344 1.309 1
1 671 . 18 1 1 A 69 69 GLY HA2 H 69 3.595 3.850 -0.255 1
1 672 . 18 1 1 A 69 69 GLY HA3 H 69 3.971 3.878 0.093 1
1 673 . 18 1 1 A 69 69 GLY CA C 69 47.597 47.385 0.212 1
1 674 . 18 1 1 A 69 69 GLY N N 69 102.438 106.905 -4.467 1
1 675 . 18 1 1 A 70 70 TRP H H 70 7.745 7.871 -0.126 1
1 676 . 18 1 1 A 70 70 TRP HA H 70 4.152 4.528 -0.376 1
1 684 . 18 1 1 A 70 70 TRP CA C 70 60.737 60.520 0.217 1
1 685 . 18 1 1 A 70 70 TRP CB C 70 29.185 28.225 0.960 1
1 686 . 18 1 1 A 70 70 TRP N N 70 120.118 121.382 -1.264 1
1 687 . 18 1 1 A 71 71 ASP H H 71 7.058 8.413 -1.355 1
1 688 . 18 1 1 A 71 71 ASP HA H 71 4.878 4.400 0.478 1
1 691 . 18 1 1 A 71 71 ASP CA C 71 57.165 57.873 -0.708 1
1 692 . 18 1 1 A 71 71 ASP CB C 71 40.749 42.038 -1.289 1
1 693 . 18 1 1 A 71 71 ASP N N 71 120.287 119.577 0.710 1
1 694 . 18 1 1 A 72 72 GLU H H 72 7.856 8.533 -0.677 1
1 695 . 18 1 1 A 72 72 GLU HA H 72 4.120 4.015 0.105 1
1 700 . 18 1 1 A 72 72 GLU CA C 72 58.236 59.312 -1.076 1
1 701 . 18 1 1 A 72 72 GLU CB C 72 30.409 29.161 1.248 1
1 703 . 18 1 1 A 72 72 GLU N N 72 114.126 119.288 -5.162 1
1 704 . 18 1 1 A 73 73 GLY H H 73 7.732 8.006 -0.274 1
1 705 . 18 1 1 A 73 73 GLY HA2 H 73 3.565 3.600 -0.035 1
1 706 . 18 1 1 A 73 73 GLY HA3 H 73 3.565 3.620 -0.055 1
1 707 . 18 1 1 A 73 73 GLY CA C 73 47.427 47.204 0.223 1
1 708 . 18 1 1 A 73 73 GLY N N 73 104.848 107.398 -2.550 1
1 709 . 18 1 1 A 74 74 VAL H H 74 8.138 8.678 -0.540 1
1 710 . 18 1 1 A 74 74 VAL HA H 74 3.630 4.033 -0.403 1
1 718 . 18 1 1 A 74 74 VAL CA C 74 63.679 63.652 0.027 1
1 719 . 18 1 1 A 74 74 VAL CB C 74 31.206 31.743 -0.537 1
1 722 . 18 1 1 A 74 74 VAL N N 74 117.660 122.134 -4.474 1
1 723 . 18 1 1 A 75 75 GLN H H 75 6.431 8.212 -1.781 1
1 724 . 18 1 1 A 75 75 GLN HA H 75 3.598 4.181 -0.583 1
1 731 . 18 1 1 A 75 75 GLN CA C 75 58.343 55.483 2.860 1
1 732 . 18 1 1 A 75 75 GLN CB C 75 28.747 27.791 0.956 1
1 734 . 18 1 1 A 75 75 GLN N N 75 116.376 117.785 -1.409 1
1 736 . 18 1 1 A 76 76 GLY H H 76 8.577 7.599 0.978 1
1 737 . 18 1 1 A 76 76 GLY HA2 H 76 3.647 4.086 -0.439 1
1 738 . 18 1 1 A 76 76 GLY HA3 H 76 4.510 4.096 0.414 1
1 739 . 18 1 1 A 76 76 GLY CA C 76 45.092 45.553 -0.461 1
1 740 . 18 1 1 A 76 76 GLY N N 76 111.539 109.304 2.235 1
1 741 . 18 1 1 A 77 77 MET H H 77 7.609 7.614 -0.005 1
1 742 . 18 1 1 A 77 77 MET HA H 77 3.948 4.496 -0.548 1
1 747 . 18 1 1 A 77 77 MET CA C 77 58.260 55.444 2.816 1
1 748 . 18 1 1 A 77 77 MET CB C 77 34.641 33.438 1.203 1
1 750 . 18 1 1 A 77 77 MET N N 77 119.140 118.856 0.284 1
1 751 . 18 1 1 A 78 78 LYS H H 78 8.348 8.769 -0.421 1
1 752 . 18 1 1 A 78 78 LYS HA H 78 5.015 5.007 0.008 1
1 761 . 18 1 1 A 78 78 LYS CA C 78 54.136 54.297 -0.161 1
1 762 . 18 1 1 A 78 78 LYS CB C 78 34.944 35.949 -1.005 1
1 766 . 18 1 1 A 78 78 LYS N N 78 119.308 119.102 0.206 1
1 767 . 18 1 1 A 79 79 VAL H H 79 8.622 8.790 -0.168 1
1 768 . 18 1 1 A 79 79 VAL HA H 79 3.160 3.474 -0.314 1
1 776 . 18 1 1 A 79 79 VAL CA C 79 66.585 65.480 1.105 1
1 777 . 18 1 1 A 79 79 VAL CB C 79 31.690 31.401 0.289 1
1 780 . 18 1 1 A 79 79 VAL N N 79 123.215 122.096 1.119 1
1 781 . 18 1 1 A 80 80 GLY H H 80 8.623 8.805 -0.182 1
1 782 . 18 1 1 A 80 80 GLY HA2 H 80 3.901 4.026 -0.125 1
1 783 . 18 1 1 A 80 80 GLY HA3 H 80 4.654 4.030 0.624 1
1 784 . 18 1 1 A 80 80 GLY CA C 80 44.457 45.115 -0.658 1
1 785 . 18 1 1 A 80 80 GLY N N 80 115.910 114.777 1.133 1
1 786 . 18 1 1 A 81 81 GLY H H 81 9.283 8.375 0.908 1
1 787 . 18 1 1 A 81 81 GLY HA2 H 81 3.574 3.975 -0.401 1
1 788 . 18 1 1 A 81 81 GLY HA3 H 81 3.916 3.980 -0.064 1
1 789 . 18 1 1 A 81 81 GLY CA C 81 45.310 45.088 0.222 1
1 790 . 18 1 1 A 81 81 GLY N N 81 111.030 108.123 2.907 1
1 791 . 18 1 1 A 82 82 VAL H H 82 8.403 8.907 -0.504 1
1 792 . 18 1 1 A 82 82 VAL HA H 82 5.141 5.115 0.026 1
1 800 . 18 1 1 A 82 82 VAL CA C 82 61.633 61.251 0.382 1
1 801 . 18 1 1 A 82 82 VAL CB C 82 34.572 34.346 0.226 1
1 804 . 18 1 1 A 82 82 VAL N N 82 119.626 125.209 -5.583 1
1 805 . 18 1 1 A 83 83 ARG H H 83 9.383 8.576 0.807 1
1 806 . 18 1 1 A 83 83 ARG HA H 83 5.354 4.891 0.463 1
1 813 . 18 1 1 A 83 83 ARG CA C 83 54.577 54.281 0.296 1
1 814 . 18 1 1 A 83 83 ARG CB C 83 35.933 34.479 1.454 1
1 817 . 18 1 1 A 83 83 ARG N N 83 130.545 125.651 4.894 1
1 818 . 18 1 1 A 84 84 ARG H H 84 9.618 8.870 0.748 1
1 819 . 18 1 1 A 84 84 ARG HA H 84 5.650 4.593 1.057 1
1 826 . 18 1 1 A 84 84 ARG CA C 84 54.383 55.881 -1.498 1
1 827 . 18 1 1 A 84 84 ARG CB C 84 32.969 31.415 1.554 1
1 830 . 18 1 1 A 84 84 ARG N N 84 127.552 123.472 4.080 1
1 831 . 18 1 1 A 85 85 LEU H H 85 10.121 9.263 0.858 1
1 832 . 18 1 1 A 85 85 LEU HA H 85 5.232 5.495 -0.263 1
1 842 . 18 1 1 A 85 85 LEU CA C 85 53.442 53.518 -0.076 1
1 843 . 18 1 1 A 85 85 LEU CB C 85 45.431 42.822 2.609 1
1 847 . 18 1 1 A 85 85 LEU N N 85 128.946 129.769 -0.823 1
1 848 . 18 1 1 A 86 86 THR H H 86 9.594 9.151 0.443 1
1 849 . 18 1 1 A 86 86 THR HA H 86 5.081 4.812 0.269 1
1 854 . 18 1 1 A 86 86 THR CA C 86 63.525 62.517 1.008 1
1 855 . 18 1 1 A 86 86 THR CB C 86 68.690 69.451 -0.761 1
1 857 . 18 1 1 A 86 86 THR N N 86 121.842 120.084 1.758 1
1 858 . 18 1 1 A 87 87 ILE H H 87 10.109 9.016 1.093 1
1 859 . 18 1 1 A 87 87 ILE HA H 87 4.539 4.747 -0.208 1
1 869 . 18 1 1 A 87 87 ILE CA C 87 58.954 58.260 0.694 1
1 870 . 18 1 1 A 87 87 ILE CB C 87 40.704 38.684 2.020 1
1 874 . 18 1 1 A 87 87 ILE N N 87 129.512 128.289 1.223 1
1 875 . 18 1 1 A 88 88 PRO HA H 88 4.981 4.712 0.269 1
1 882 . 18 1 1 A 88 88 PRO CA C 88 61.675 61.857 -0.182 1
1 883 . 18 1 1 A 88 88 PRO CB C 88 30.917 32.635 -1.718 1
1 886 . 18 1 1 A 89 89 PRO HA H 89 4.439 4.327 0.112 1
1 893 . 18 1 1 A 89 89 PRO CA C 89 65.384 65.327 0.057 1
1 894 . 18 1 1 A 89 89 PRO CB C 89 30.913 32.101 -1.188 1
1 897 . 18 1 1 A 90 90 GLN H H 90 9.574 8.895 0.679 1
1 898 . 18 1 1 A 90 90 GLN HA H 90 4.296 4.190 0.106 1
1 905 . 18 1 1 A 90 90 GLN CA C 90 58.441 57.500 0.941 1
1 906 . 18 1 1 A 90 90 GLN CB C 90 26.402 27.391 -0.989 1
1 908 . 18 1 1 A 90 90 GLN N N 90 118.710 115.527 3.183 1
1 910 . 18 1 1 A 91 91 LEU H H 91 7.976 7.477 0.499 1
1 911 . 18 1 1 A 91 91 LEU HA H 91 4.636 4.649 -0.013 1
1 921 . 18 1 1 A 91 91 LEU CA C 91 53.625 54.290 -0.665 1
1 922 . 18 1 1 A 91 91 LEU CB C 91 42.819 43.420 -0.601 1
1 926 . 18 1 1 A 91 91 LEU N N 91 119.302 118.557 0.745 1
1 927 . 18 1 1 A 92 92 GLY H H 92 7.717 7.812 -0.095 1
1 928 . 18 1 1 A 92 92 GLY HA2 H 92 3.258 4.138 -0.880 1
1 929 . 18 1 1 A 92 92 GLY HA3 H 92 4.121 4.177 -0.056 1
1 930 . 18 1 1 A 92 92 GLY CA C 92 45.183 45.914 -0.731 1
1 931 . 18 1 1 A 92 92 GLY N N 92 110.415 107.164 3.251 1
1 932 . 18 1 1 A 93 93 TYR H H 93 9.662 8.630 1.032 1
1 933 . 18 1 1 A 93 93 TYR HA H 93 4.513 4.287 0.226 1
1 940 . 18 1 1 A 93 93 TYR CA C 93 58.603 61.165 -2.562 1
1 941 . 18 1 1 A 93 93 TYR CB C 93 37.762 38.830 -1.068 1
1 942 . 18 1 1 A 93 93 TYR N N 93 126.998 122.632 4.366 1
1 943 . 18 1 1 A 94 94 GLY H H 94 8.467 7.953 0.514 1
1 944 . 18 1 1 A 94 94 GLY HA2 H 94 3.633 4.107 -0.474 1
1 945 . 18 1 1 A 94 94 GLY HA3 H 94 3.888 4.119 -0.231 1
1 946 . 18 1 1 A 94 94 GLY CA C 94 47.023 43.711 3.312 1
1 947 . 18 1 1 A 94 94 GLY N N 94 108.486 106.186 2.300 1
1 948 . 18 1 1 A 95 95 ALA H H 95 7.636 8.633 -0.997 1
1 949 . 18 1 1 A 95 95 ALA HA H 95 4.151 4.429 -0.278 1
1 953 . 18 1 1 A 95 95 ALA CA C 95 53.326 52.920 0.406 1
1 954 . 18 1 1 A 95 95 ALA CB C 95 18.831 18.881 -0.050 1
1 955 . 18 1 1 A 96 96 ARG H H 96 7.910 7.805 0.105 1
1 956 . 18 1 1 A 96 96 ARG HA H 96 4.227 4.134 0.093 1
1 963 . 18 1 1 A 96 96 ARG CA C 96 57.514 56.448 1.066 1
1 964 . 18 1 1 A 96 96 ARG CB C 96 31.353 30.281 1.072 1
1 967 . 18 1 1 A 96 96 ARG N N 96 115.669 117.005 -1.336 1
1 968 . 18 1 1 A 97 97 GLY H H 97 6.917 7.836 -0.919 1
1 969 . 18 1 1 A 97 97 GLY HA2 H 97 3.272 4.009 -0.737 1
1 970 . 18 1 1 A 97 97 GLY HA3 H 97 3.908 4.049 -0.141 1
1 971 . 18 1 1 A 97 97 GLY CA C 97 44.693 44.817 -0.124 1
1 972 . 18 1 1 A 97 97 GLY N N 97 103.795 106.715 -2.920 1
1 973 . 18 1 1 A 98 98 ALA H H 98 8.187 8.354 -0.167 1
1 974 . 18 1 1 A 98 98 ALA HA H 98 4.287 4.720 -0.433 1
1 978 . 18 1 1 A 98 98 ALA CA C 98 52.717 51.521 1.196 1
1 979 . 18 1 1 A 98 98 ALA CB C 98 20.563 19.490 1.073 1
1 980 . 18 1 1 A 98 98 ALA N N 98 118.770 119.898 -1.128 1
1 981 . 18 1 1 A 99 99 GLY H H 99 8.904 8.468 0.436 1
1 982 . 18 1 1 A 99 99 GLY HA2 H 99 3.670 4.075 -0.405 1
1 983 . 18 1 1 A 99 99 GLY HA3 H 99 3.854 4.076 -0.222 1
1 984 . 18 1 1 A 99 99 GLY CA C 99 46.848 43.845 3.003 1
1 985 . 18 1 1 A 99 99 GLY N N 99 109.717 113.765 -4.048 1
1 986 . 18 1 1 A 100 100 GLY H H 100 8.759 8.844 -0.085 1
1 987 . 18 1 1 A 100 100 GLY HA2 H 100 3.719 3.910 -0.191 1
1 988 . 18 1 1 A 100 100 GLY HA3 H 100 4.041 3.912 0.129 1
1 989 . 18 1 1 A 100 100 GLY CA C 100 45.655 46.648 -0.993 1
1 990 . 18 1 1 A 100 100 GLY N N 100 110.895 110.785 0.110 1
1 991 . 18 1 1 A 101 101 VAL H H 101 7.631 7.404 0.227 1
1 992 . 18 1 1 A 101 101 VAL HA H 101 4.226 4.246 -0.020 1
1 1000 . 18 1 1 A 101 101 VAL CA C 101 62.518 60.747 1.771 1
1 1001 . 18 1 1 A 101 101 VAL CB C 101 34.660 31.481 3.179 1
1 1004 . 18 1 1 A 101 101 VAL N N 101 115.165 116.073 -0.908 1
1 1005 . 18 1 1 A 102 102 ILE H H 102 7.686 7.523 0.163 1
1 1006 . 18 1 1 A 102 102 ILE HA H 102 4.351 4.624 -0.273 1
1 1016 . 18 1 1 A 102 102 ILE CA C 102 57.498 58.125 -0.627 1
1 1017 . 18 1 1 A 102 102 ILE CB C 102 38.189 39.611 -1.422 1
1 1021 . 18 1 1 A 102 102 ILE N N 102 120.043 122.696 -2.653 1
1 1022 . 18 1 1 A 103 103 PRO HA H 103 4.727 4.712 0.015 1
1 1029 . 18 1 1 A 103 103 PRO CA C 103 61.614 61.694 -0.080 1
1 1030 . 18 1 1 A 103 103 PRO CB C 103 31.055 32.632 -1.577 1
1 1033 . 18 1 1 A 104 104 PRO HA H 104 3.778 4.455 -0.677 1
1 1040 . 18 1 1 A 104 104 PRO CA C 104 63.599 64.697 -1.098 1
1 1041 . 18 1 1 A 104 104 PRO CB C 104 33.183 31.689 1.494 1
1 1044 . 18 1 1 A 105 105 ASN H H 105 8.581 8.566 0.015 1
1 1045 . 18 1 1 A 105 105 ASN HA H 105 3.928 4.818 -0.890 1
1 1050 . 18 1 1 A 105 105 ASN CA C 105 54.447 52.453 1.994 1
1 1051 . 18 1 1 A 105 105 ASN CB C 105 37.280 38.547 -1.267 1
1 1052 . 18 1 1 A 105 105 ASN N N 105 117.269 114.112 3.157 1
1 1054 . 18 1 1 A 106 106 ALA H H 106 7.637 7.198 0.439 1
1 1055 . 18 1 1 A 106 106 ALA HA H 106 4.456 4.366 0.090 1
1 1059 . 18 1 1 A 106 106 ALA CA C 106 52.493 52.256 0.237 1
1 1060 . 18 1 1 A 106 106 ALA CB C 106 20.938 20.103 0.835 1
1 1061 . 18 1 1 A 106 106 ALA N N 106 121.257 122.672 -1.415 1
1 1062 . 18 1 1 A 107 107 THR H H 107 8.492 8.572 -0.080 1
1 1063 . 18 1 1 A 107 107 THR HA H 107 4.781 5.026 -0.245 1
1 1068 . 18 1 1 A 107 107 THR CA C 107 63.319 61.601 1.718 1
1 1069 . 18 1 1 A 107 107 THR CB C 107 69.430 71.153 -1.723 1
1 1071 . 18 1 1 A 107 107 THR N N 107 121.742 116.870 4.872 1
1 1072 . 18 1 1 A 108 108 LEU H H 108 8.900 8.909 -0.009 1
1 1073 . 18 1 1 A 108 108 LEU HA H 108 5.132 5.179 -0.047 1
1 1083 . 18 1 1 A 108 108 LEU CA C 108 52.950 53.672 -0.722 1
1 1084 . 18 1 1 A 108 108 LEU CB C 108 46.730 43.847 2.883 1
1 1088 . 18 1 1 A 108 108 LEU N N 108 125.279 125.682 -0.403 1
1 1089 . 18 1 1 A 109 109 VAL H H 109 8.933 8.880 0.053 1
1 1090 . 18 1 1 A 109 109 VAL HA H 109 5.532 4.837 0.695 1
1 1098 . 18 1 1 A 109 109 VAL CA C 109 60.793 61.523 -0.730 1
1 1099 . 18 1 1 A 109 109 VAL CB C 109 34.138 33.252 0.886 1
1 1102 . 18 1 1 A 109 109 VAL N N 109 122.496 125.606 -3.110 1
1 1103 . 18 1 1 A 110 110 PHE H H 110 9.737 9.072 0.665 1
1 1104 . 18 1 1 A 110 110 PHE HA H 110 6.457 5.124 1.333 1
1 1112 . 18 1 1 A 110 110 PHE CA C 110 55.265 56.086 -0.821 1
1 1113 . 18 1 1 A 110 110 PHE CB C 110 44.818 43.079 1.739 1
1 1114 . 18 1 1 A 110 110 PHE N N 110 121.114 123.940 -2.826 1
1 1115 . 18 1 1 A 111 111 GLU H H 111 9.223 8.422 0.801 1
1 1116 . 18 1 1 A 111 111 GLU HA H 111 5.202 4.550 0.652 1
1 1121 . 18 1 1 A 111 111 GLU CA C 111 56.709 55.254 1.455 1
1 1122 . 18 1 1 A 111 111 GLU CB C 111 32.338 30.647 1.691 1
1 1124 . 18 1 1 A 111 111 GLU N N 111 122.210 123.431 -1.221 1
1 1125 . 18 1 1 A 112 112 VAL H H 112 9.269 8.651 0.618 1
1 1126 . 18 1 1 A 112 112 VAL HA H 112 4.796 4.780 0.016 1
1 1134 . 18 1 1 A 112 112 VAL CA C 112 61.127 61.353 -0.226 1
1 1135 . 18 1 1 A 112 112 VAL CB C 112 34.634 33.127 1.507 1
1 1136 . 18 1 1 A 112 112 VAL N N 112 126.195 127.436 -1.241 1
1 1137 . 18 1 1 A 113 113 GLU H H 113 9.545 9.081 0.464 1
1 1138 . 18 1 1 A 113 113 GLU HA H 113 5.483 5.390 0.093 1
1 1143 . 18 1 1 A 113 113 GLU CA C 113 53.159 54.712 -1.553 1
1 1144 . 18 1 1 A 113 113 GLU CB C 113 32.657 31.790 0.867 1
1 1146 . 18 1 1 A 113 113 GLU N N 113 128.111 124.598 3.513 1
1 1147 . 18 1 1 A 114 114 LEU H H 114 8.261 8.751 -0.490 1
1 1148 . 18 1 1 A 114 114 LEU HA H 114 4.634 4.439 0.195 1
1 1158 . 18 1 1 A 114 114 LEU CA C 114 55.217 55.820 -0.603 1
1 1159 . 18 1 1 A 114 114 LEU CB C 114 41.826 42.486 -0.660 1
1 1163 . 18 1 1 A 114 114 LEU N N 114 126.273 127.232 -0.959 1
1 1164 . 18 1 1 A 115 115 LEU H H 115 9.258 9.139 0.119 1
1 1165 . 18 1 1 A 115 115 LEU HA H 115 4.453 4.368 0.085 1
1 1175 . 18 1 1 A 115 115 LEU CA C 115 55.791 56.429 -0.638 1
1 1176 . 18 1 1 A 115 115 LEU CB C 115 42.897 42.368 0.529 1
1 1180 . 18 1 1 A 115 115 LEU N N 115 130.031 128.301 1.730 1
1 1181 . 18 1 1 A 116 116 ASP H H 116 7.748 7.228 0.520 1
1 1182 . 18 1 1 A 116 116 ASP HA H 116 4.672 4.960 -0.288 1
1 1185 . 18 1 1 A 116 116 ASP CA C 116 54.385 53.589 0.796 1
1 1186 . 18 1 1 A 116 116 ASP CB C 116 43.828 43.936 -0.108 1
1 1187 . 18 1 1 A 116 116 ASP N N 116 115.338 113.527 1.811 1
1 1 . 19 1 1 A 3 3 GLY H H 3 8.684 8.304 0.380 1
1 2 . 19 1 1 A 3 3 GLY HA2 H 3 3.959 4.259 -0.300 1
1 3 . 19 1 1 A 3 3 GLY HA3 H 3 3.959 4.263 -0.304 1
1 4 . 19 1 1 A 3 3 GLY N N 3 110.167 107.339 2.828 1
1 5 . 19 1 1 A 4 4 SER H H 4 8.315 8.431 -0.116 1
1 6 . 19 1 1 A 4 4 SER HA H 4 4.468 4.533 -0.065 1
1 9 . 19 1 1 A 4 4 SER CA C 4 58.355 58.437 -0.082 1
1 10 . 19 1 1 A 4 4 SER N N 4 115.851 115.799 0.052 1
1 11 . 19 1 1 A 5 5 MET H H 5 8.640 8.786 -0.146 1
1 12 . 19 1 1 A 5 5 MET HA H 5 4.554 4.706 -0.152 1
1 17 . 19 1 1 A 5 5 MET CA C 5 55.754 54.420 1.334 1
1 18 . 19 1 1 A 5 5 MET CB C 5 32.870 30.772 2.098 1
1 20 . 19 1 1 A 5 5 MET N N 5 122.413 125.713 -3.300 1
1 21 . 19 1 1 A 6 6 THR H H 6 8.265 7.944 0.321 1
1 22 . 19 1 1 A 6 6 THR HA H 6 4.296 4.933 -0.637 1
1 27 . 19 1 1 A 6 6 THR CA C 6 62.224 59.730 2.494 1
1 28 . 19 1 1 A 6 6 THR CB C 6 69.806 71.808 -2.002 1
1 30 . 19 1 1 A 6 6 THR N N 6 116.270 117.093 -0.823 1
1 31 . 19 1 1 A 7 7 VAL H H 7 8.068 8.582 -0.514 1
1 32 . 19 1 1 A 7 7 VAL HA H 7 4.200 4.194 0.006 1
1 40 . 19 1 1 A 7 7 VAL CA C 7 62.021 62.558 -0.537 1
1 41 . 19 1 1 A 7 7 VAL CB C 7 32.773 32.049 0.724 1
1 44 . 19 1 1 A 7 7 VAL N N 7 124.632 124.771 -0.139 1
1 45 . 19 1 1 A 8 8 VAL H H 8 8.985 7.953 1.032 1
1 46 . 19 1 1 A 8 8 VAL HA H 8 3.872 4.906 -1.034 1
1 54 . 19 1 1 A 8 8 VAL CA C 8 61.848 60.362 1.486 1
1 55 . 19 1 1 A 8 8 VAL CB C 8 33.157 34.623 -1.466 1
1 58 . 19 1 1 A 8 8 VAL N N 8 132.503 127.476 5.027 1
1 59 . 19 1 1 A 9 9 THR H H 9 8.213 8.977 -0.764 1
1 60 . 19 1 1 A 9 9 THR HA H 9 5.250 5.000 0.250 1
1 65 . 19 1 1 A 9 9 THR CA C 9 61.040 61.928 -0.888 1
1 66 . 19 1 1 A 9 9 THR CB C 9 69.773 70.753 -0.980 1
1 68 . 19 1 1 A 9 9 THR N N 9 121.386 123.572 -2.186 1
1 69 . 19 1 1 A 10 10 THR H H 10 9.318 8.904 0.414 1
1 70 . 19 1 1 A 10 10 THR HA H 10 4.693 4.828 -0.135 1
1 75 . 19 1 1 A 10 10 THR CA C 10 60.077 60.120 -0.043 1
1 76 . 19 1 1 A 10 10 THR CB C 10 70.131 72.060 -1.929 1
1 78 . 19 1 1 A 10 10 THR N N 10 119.882 115.779 4.103 1
1 79 . 19 1 1 A 11 11 GLU H H 11 9.051 9.155 -0.104 1
1 80 . 19 1 1 A 11 11 GLU HA H 11 4.028 4.093 -0.065 1
1 85 . 19 1 1 A 11 11 GLU CA C 11 59.072 58.899 0.173 1
1 86 . 19 1 1 A 11 11 GLU CB C 11 29.516 29.074 0.442 1
1 88 . 19 1 1 A 11 11 GLU N N 11 120.586 120.704 -0.118 1
1 89 . 19 1 1 A 12 12 SER H H 12 8.445 7.751 0.694 1
1 90 . 19 1 1 A 12 12 SER HA H 12 4.302 4.453 -0.151 1
1 93 . 19 1 1 A 12 12 SER CA C 12 58.483 59.668 -1.185 1
1 94 . 19 1 1 A 12 12 SER CB C 12 63.034 63.371 -0.337 1
1 95 . 19 1 1 A 12 12 SER N N 12 114.574 114.722 -0.148 1
1 96 . 19 1 1 A 13 13 GLY H H 13 7.798 7.472 0.326 1
1 97 . 19 1 1 A 13 13 GLY HA2 H 13 3.425 4.071 -0.646 1
1 98 . 19 1 1 A 13 13 GLY HA3 H 13 4.401 4.072 0.329 1
1 99 . 19 1 1 A 13 13 GLY CA C 13 44.276 45.357 -1.081 1
1 100 . 19 1 1 A 13 13 GLY N N 13 109.024 108.349 0.675 1
1 101 . 19 1 1 A 14 14 LEU H H 14 7.501 7.857 -0.356 1
1 102 . 19 1 1 A 14 14 LEU HA H 14 3.967 4.535 -0.568 1
1 112 . 19 1 1 A 14 14 LEU CA C 14 56.343 55.821 0.522 1
1 113 . 19 1 1 A 14 14 LEU CB C 14 41.856 42.877 -1.021 1
1 117 . 19 1 1 A 14 14 LEU N N 14 123.870 123.408 0.462 1
1 118 . 19 1 1 A 15 15 LYS H H 15 7.812 8.434 -0.622 1
1 119 . 19 1 1 A 15 15 LYS HA H 15 5.942 5.371 0.571 1
1 127 . 19 1 1 A 15 15 LYS CA C 15 54.052 54.341 -0.289 1
1 128 . 19 1 1 A 15 15 LYS CB C 15 36.289 36.014 0.275 1
1 132 . 19 1 1 A 15 15 LYS N N 15 123.667 124.657 -0.990 1
1 133 . 19 1 1 A 16 16 TYR H H 16 9.289 8.961 0.328 1
1 134 . 19 1 1 A 16 16 TYR HA H 16 5.996 5.660 0.336 1
1 141 . 19 1 1 A 16 16 TYR CA C 16 55.784 56.358 -0.574 1
1 142 . 19 1 1 A 16 16 TYR CB C 16 43.297 42.276 1.021 1
1 143 . 19 1 1 A 16 16 TYR N N 16 117.890 117.705 0.185 1
1 144 . 19 1 1 A 17 17 GLU H H 17 8.728 8.940 -0.212 1
1 145 . 19 1 1 A 17 17 GLU HA H 17 4.860 4.615 0.245 1
1 150 . 19 1 1 A 17 17 GLU CA C 17 54.072 55.169 -1.097 1
1 151 . 19 1 1 A 17 17 GLU CB C 17 35.222 33.360 1.862 1
1 152 . 19 1 1 A 17 17 GLU N N 17 118.386 120.719 -2.333 1
1 153 . 19 1 1 A 18 18 ASP H H 18 9.596 8.955 0.641 1
1 154 . 19 1 1 A 18 18 ASP HA H 18 5.296 4.757 0.539 1
1 157 . 19 1 1 A 18 18 ASP CA C 18 55.695 54.817 0.878 1
1 158 . 19 1 1 A 18 18 ASP CB C 18 40.940 41.373 -0.433 1
1 159 . 19 1 1 A 18 18 ASP N N 18 127.059 126.185 0.874 1
1 160 . 19 1 1 A 19 19 LEU H H 19 8.609 9.076 -0.467 1
1 161 . 19 1 1 A 19 19 LEU HA H 19 4.275 4.607 -0.332 1
1 171 . 19 1 1 A 19 19 LEU CA C 19 56.923 55.956 0.967 1
1 172 . 19 1 1 A 19 19 LEU CB C 19 41.074 43.959 -2.885 1
1 176 . 19 1 1 A 19 19 LEU N N 19 128.620 122.559 6.061 1
1 177 . 19 1 1 A 20 20 THR H H 20 8.136 8.244 -0.108 1
1 178 . 19 1 1 A 20 20 THR HA H 20 4.400 4.843 -0.443 1
1 183 . 19 1 1 A 20 20 THR CA C 20 61.835 61.237 0.598 1
1 184 . 19 1 1 A 20 20 THR CB C 20 72.411 71.593 0.818 1
1 186 . 19 1 1 A 20 20 THR N N 20 112.473 111.894 0.579 1
1 187 . 19 1 1 A 21 21 GLU H H 21 9.354 8.850 0.504 1
1 188 . 19 1 1 A 21 21 GLU HA H 21 4.370 4.313 0.057 1
1 193 . 19 1 1 A 21 21 GLU CA C 21 56.277 57.931 -1.654 1
1 194 . 19 1 1 A 21 21 GLU CB C 21 30.368 30.472 -0.104 1
1 196 . 19 1 1 A 21 21 GLU N N 21 130.043 126.601 3.442 1
1 197 . 19 1 1 A 22 22 GLY H H 22 9.071 8.522 0.549 1
1 198 . 19 1 1 A 22 22 GLY HA2 H 22 3.446 4.330 -0.884 1
1 199 . 19 1 1 A 22 22 GLY HA3 H 22 3.742 4.330 -0.588 1
1 200 . 19 1 1 A 22 22 GLY CA C 22 45.343 44.871 0.472 1
1 201 . 19 1 1 A 22 22 GLY N N 22 113.930 109.569 4.361 1
1 202 . 19 1 1 A 23 23 SER H H 23 8.040 8.765 -0.725 1
1 203 . 19 1 1 A 23 23 SER HA H 23 4.671 4.773 -0.102 1
1 206 . 19 1 1 A 23 23 SER CA C 23 57.488 57.265 0.223 1
1 207 . 19 1 1 A 23 23 SER CB C 23 65.069 63.237 1.832 1
1 208 . 19 1 1 A 23 23 SER N N 23 111.747 118.971 -7.224 1
1 209 . 19 1 1 A 24 24 GLY H H 24 8.418 8.620 -0.202 1
1 210 . 19 1 1 A 24 24 GLY HA2 H 24 3.693 4.080 -0.387 1
1 211 . 19 1 1 A 24 24 GLY HA3 H 24 4.328 4.080 0.248 1
1 212 . 19 1 1 A 24 24 GLY CA C 24 44.138 45.255 -1.117 1
1 213 . 19 1 1 A 24 24 GLY N N 24 111.391 113.390 -1.999 1
1 214 . 19 1 1 A 25 25 ALA H H 25 8.342 8.384 -0.042 1
1 215 . 19 1 1 A 25 25 ALA HA H 25 4.061 5.069 -1.008 1
1 219 . 19 1 1 A 25 25 ALA CA C 25 52.551 51.375 1.176 1
1 220 . 19 1 1 A 25 25 ALA CB C 25 19.752 22.769 -3.017 1
1 221 . 19 1 1 A 25 25 ALA N N 25 123.675 124.650 -0.975 1
1 222 . 19 1 1 A 26 26 GLU H H 26 8.194 8.529 -0.335 1
1 223 . 19 1 1 A 26 26 GLU HA H 26 4.498 4.676 -0.178 1
1 228 . 19 1 1 A 26 26 GLU CA C 26 55.174 56.790 -1.616 1
1 229 . 19 1 1 A 26 26 GLU CB C 26 31.906 30.042 1.864 1
1 231 . 19 1 1 A 26 26 GLU N N 26 119.186 122.366 -3.180 1
1 232 . 19 1 1 A 27 27 ALA H H 27 8.930 8.134 0.796 1
1 233 . 19 1 1 A 27 27 ALA HA H 27 4.527 4.224 0.303 1
1 237 . 19 1 1 A 27 27 ALA CA C 27 51.815 52.902 -1.087 1
1 238 . 19 1 1 A 27 27 ALA CB C 27 19.057 19.368 -0.311 1
1 239 . 19 1 1 A 27 27 ALA N N 27 127.513 127.326 0.187 1
1 240 . 19 1 1 A 28 28 ARG H H 28 8.348 8.813 -0.465 1
1 241 . 19 1 1 A 28 28 ARG HA H 28 4.563 4.737 -0.174 1
1 246 . 19 1 1 A 28 28 ARG CA C 28 53.584 54.212 -0.628 1
1 247 . 19 1 1 A 28 28 ARG CB C 28 33.571 33.446 0.125 1
1 250 . 19 1 1 A 28 28 ARG N N 28 124.054 120.503 3.551 1
1 251 . 19 1 1 A 29 29 ALA H H 29 8.387 8.622 -0.235 1
1 252 . 19 1 1 A 29 29 ALA HA H 29 3.594 3.928 -0.334 1
1 256 . 19 1 1 A 29 29 ALA CA C 29 53.535 53.950 -0.415 1
1 257 . 19 1 1 A 29 29 ALA CB C 29 17.781 18.307 -0.526 1
1 258 . 19 1 1 A 29 29 ALA N N 29 122.289 127.084 -4.795 1
1 259 . 19 1 1 A 30 30 GLY H H 30 9.043 8.980 0.063 1
1 260 . 19 1 1 A 30 30 GLY HA2 H 30 3.451 4.018 -0.567 1
1 261 . 19 1 1 A 30 30 GLY HA3 H 30 4.378 4.019 0.359 1
1 262 . 19 1 1 A 30 30 GLY CA C 30 44.562 45.091 -0.529 1
1 263 . 19 1 1 A 30 30 GLY N N 30 110.956 111.128 -0.172 1
1 264 . 19 1 1 A 31 31 GLN H H 31 7.620 7.591 0.029 1
1 265 . 19 1 1 A 31 31 GLN HA H 31 4.343 4.596 -0.253 1
1 272 . 19 1 1 A 31 31 GLN CA C 31 55.410 54.830 0.580 1
1 273 . 19 1 1 A 31 31 GLN CB C 31 30.151 30.290 -0.139 1
1 275 . 19 1 1 A 31 31 GLN N N 31 119.756 118.724 1.032 1
1 277 . 19 1 1 A 32 32 THR H H 32 8.793 8.565 0.228 1
1 278 . 19 1 1 A 32 32 THR HA H 32 4.463 4.718 -0.255 1
1 283 . 19 1 1 A 32 32 THR CA C 32 63.072 62.357 0.715 1
1 284 . 19 1 1 A 32 32 THR CB C 32 68.380 69.848 -1.468 1
1 286 . 19 1 1 A 32 32 THR N N 32 119.718 118.735 0.983 1
1 287 . 19 1 1 A 33 33 VAL H H 33 8.393 8.768 -0.375 1
1 288 . 19 1 1 A 33 33 VAL HA H 33 4.712 4.832 -0.120 1
1 296 . 19 1 1 A 33 33 VAL CA C 33 58.274 59.295 -1.021 1
1 297 . 19 1 1 A 33 33 VAL CB C 33 33.309 36.163 -2.854 1
1 300 . 19 1 1 A 33 33 VAL N N 33 120.513 118.817 1.696 1
1 301 . 19 1 1 A 34 34 SER H H 34 7.865 9.277 -1.412 1
1 302 . 19 1 1 A 34 34 SER HA H 34 5.262 5.426 -0.164 1
1 305 . 19 1 1 A 34 34 SER CA C 34 56.443 56.720 -0.277 1
1 306 . 19 1 1 A 34 34 SER CB C 34 64.882 64.929 -0.047 1
1 307 . 19 1 1 A 34 34 SER N N 34 113.652 117.440 -3.788 1
1 308 . 19 1 1 A 35 35 VAL H H 35 9.531 9.603 -0.072 1
1 309 . 19 1 1 A 35 35 VAL HA H 35 5.715 5.280 0.435 1
1 317 . 19 1 1 A 35 35 VAL CA C 35 58.226 58.635 -0.409 1
1 318 . 19 1 1 A 35 35 VAL CB C 35 35.412 35.622 -0.210 1
1 321 . 19 1 1 A 35 35 VAL N N 35 117.985 120.666 -2.681 1
1 322 . 19 1 1 A 36 36 HIS H H 36 8.812 8.891 -0.079 1
1 323 . 19 1 1 A 36 36 HIS HA H 36 5.784 5.564 0.220 1
1 328 . 19 1 1 A 36 36 HIS CA C 36 54.671 53.578 1.093 1
1 329 . 19 1 1 A 36 36 HIS CB C 36 35.786 32.389 3.397 1
1 330 . 19 1 1 A 36 36 HIS N N 36 118.227 121.351 -3.124 1
1 331 . 19 1 1 A 37 37 TYR H H 37 9.680 8.866 0.814 1
1 332 . 19 1 1 A 37 37 TYR HA H 37 6.201 5.802 0.399 1
1 339 . 19 1 1 A 37 37 TYR CA C 37 56.280 55.384 0.896 1
1 340 . 19 1 1 A 37 37 TYR CB C 37 43.791 41.072 2.719 1
1 341 . 19 1 1 A 37 37 TYR N N 37 116.878 119.870 -2.992 1
1 342 . 19 1 1 A 38 38 THR H H 38 8.478 8.661 -0.183 1
1 343 . 19 1 1 A 38 38 THR HA H 38 4.374 4.552 -0.178 1
1 348 . 19 1 1 A 38 38 THR CA C 38 62.692 59.969 2.723 1
1 349 . 19 1 1 A 38 38 THR CB C 38 71.675 69.077 2.598 1
1 351 . 19 1 1 A 38 38 THR N N 38 117.172 117.937 -0.765 1
1 352 . 19 1 1 A 39 39 GLY H H 39 8.332 8.227 0.105 1
1 353 . 19 1 1 A 39 39 GLY HA2 H 39 1.943 1.866 0.077 1
1 354 . 19 1 1 A 39 39 GLY HA3 H 39 4.624 2.807 1.817 1
1 355 . 19 1 1 A 39 39 GLY CA C 39 44.767 44.910 -0.143 1
1 356 . 19 1 1 A 39 39 GLY N N 39 113.042 112.099 0.943 1
1 357 . 19 1 1 A 40 40 TRP H H 40 9.669 8.755 0.914 1
1 358 . 19 1 1 A 40 40 TRP HA H 40 5.499 5.370 0.129 1
1 366 . 19 1 1 A 40 40 TRP CA C 40 57.026 55.867 1.159 1
1 367 . 19 1 1 A 40 40 TRP CB C 40 34.177 32.277 1.900 1
1 368 . 19 1 1 A 40 40 TRP N N 40 123.550 125.782 -2.232 1
1 370 . 19 1 1 A 41 41 LEU H H 41 8.699 8.865 -0.166 1
1 371 . 19 1 1 A 41 41 LEU HA H 41 5.056 4.831 0.225 1
1 381 . 19 1 1 A 41 41 LEU CA C 41 54.040 53.587 0.453 1
1 382 . 19 1 1 A 41 41 LEU CB C 41 41.981 43.173 -1.192 1
1 386 . 19 1 1 A 41 41 LEU N N 41 119.318 123.506 -4.188 1
1 387 . 19 1 1 A 42 42 THR H H 42 9.418 8.860 0.558 1
1 388 . 19 1 1 A 42 42 THR HA H 42 3.962 3.976 -0.014 1
1 393 . 19 1 1 A 42 42 THR CA C 42 65.117 65.480 -0.363 1
1 394 . 19 1 1 A 42 42 THR CB C 42 68.693 68.239 0.454 1
1 396 . 19 1 1 A 42 42 THR N N 42 112.465 116.904 -4.439 1
1 397 . 19 1 1 A 43 43 ASP H H 43 7.690 7.742 -0.052 1
1 398 . 19 1 1 A 43 43 ASP HA H 43 4.538 4.666 -0.128 1
1 401 . 19 1 1 A 43 43 ASP CA C 43 53.655 54.188 -0.533 1
1 402 . 19 1 1 A 43 43 ASP CB C 43 40.109 41.248 -1.139 1
1 403 . 19 1 1 A 43 43 ASP N N 43 118.952 121.333 -2.381 1
1 404 . 19 1 1 A 44 44 GLY H H 44 8.043 8.148 -0.105 1
1 405 . 19 1 1 A 44 44 GLY HA2 H 44 3.521 3.857 -0.336 1
1 406 . 19 1 1 A 44 44 GLY HA3 H 44 4.318 3.865 0.453 1
1 407 . 19 1 1 A 44 44 GLY CA C 44 44.869 44.956 -0.087 1
1 408 . 19 1 1 A 44 44 GLY N N 44 107.790 107.717 0.073 1
1 409 . 19 1 1 A 45 45 GLN H H 45 8.355 7.792 0.563 1
1 410 . 19 1 1 A 45 45 GLN HA H 45 4.319 4.234 0.085 1
1 417 . 19 1 1 A 45 45 GLN CA C 45 56.909 55.724 1.185 1
1 418 . 19 1 1 A 45 45 GLN CB C 45 29.837 29.267 0.570 1
1 420 . 19 1 1 A 45 45 GLN N N 45 121.541 120.466 1.075 1
1 422 . 19 1 1 A 46 46 LYS H H 46 8.915 8.260 0.655 1
1 423 . 19 1 1 A 46 46 LYS HA H 46 4.454 4.884 -0.430 1
1 432 . 19 1 1 A 46 46 LYS CA C 46 55.782 56.145 -0.363 1
1 433 . 19 1 1 A 46 46 LYS CB C 46 33.097 33.514 -0.417 1
1 437 . 19 1 1 A 46 46 LYS N N 46 129.310 121.197 8.113 1
1 438 . 19 1 1 A 47 47 PHE H H 47 8.440 9.077 -0.637 1
1 439 . 19 1 1 A 47 47 PHE HA H 47 5.103 4.993 0.110 1
1 447 . 19 1 1 A 47 47 PHE CA C 47 56.272 56.585 -0.313 1
1 448 . 19 1 1 A 47 47 PHE CB C 47 41.094 40.809 0.285 1
1 449 . 19 1 1 A 47 47 PHE N N 47 122.874 116.333 6.541 1
1 450 . 19 1 1 A 48 48 ASP H H 48 6.744 7.512 -0.768 1
1 451 . 19 1 1 A 48 48 ASP HA H 48 4.790 4.802 -0.012 1
1 454 . 19 1 1 A 48 48 ASP CA C 48 54.518 54.279 0.239 1
1 455 . 19 1 1 A 48 48 ASP CB C 48 43.929 43.966 -0.037 1
1 456 . 19 1 1 A 48 48 ASP N N 48 118.152 119.621 -1.469 1
1 457 . 19 1 1 A 49 49 SER H H 49 8.122 8.445 -0.323 1
1 458 . 19 1 1 A 49 49 SER HA H 49 4.608 4.586 0.022 1
1 461 . 19 1 1 A 49 49 SER CA C 49 56.963 57.262 -0.299 1
1 462 . 19 1 1 A 49 49 SER CB C 49 64.699 64.609 0.090 1
1 463 . 19 1 1 A 49 49 SER N N 49 117.585 118.970 -1.385 1
1 464 . 19 1 1 A 50 50 SER H H 50 8.020 8.756 -0.736 1
1 465 . 19 1 1 A 50 50 SER HA H 50 4.045 4.240 -0.195 1
1 468 . 19 1 1 A 50 50 SER CA C 50 61.482 61.174 0.308 1
1 469 . 19 1 1 A 50 50 SER CB C 50 61.488 62.996 -1.508 1
1 470 . 19 1 1 A 50 50 SER N N 50 124.801 122.228 2.573 1
1 471 . 19 1 1 A 51 51 LYS H H 51 7.730 7.965 -0.235 1
1 472 . 19 1 1 A 51 51 LYS HA H 51 3.505 3.840 -0.335 1
1 481 . 19 1 1 A 51 51 LYS CA C 51 58.921 59.191 -0.270 1
1 482 . 19 1 1 A 51 51 LYS CB C 51 31.346 31.654 -0.308 1
1 486 . 19 1 1 A 51 51 LYS N N 51 124.103 121.163 2.940 1
1 487 . 19 1 1 A 52 52 ASP H H 52 7.324 7.651 -0.327 1
1 488 . 19 1 1 A 52 52 ASP HA H 52 4.284 4.421 -0.137 1
1 491 . 19 1 1 A 52 52 ASP CA C 52 56.524 56.327 0.197 1
1 492 . 19 1 1 A 52 52 ASP CB C 52 40.201 40.947 -0.746 1
1 493 . 19 1 1 A 52 52 ASP N N 52 118.971 119.637 -0.666 1
1 494 . 19 1 1 A 53 53 ARG H H 53 6.923 7.877 -0.954 1
1 495 . 19 1 1 A 53 53 ARG HA H 53 4.461 4.522 -0.061 1
1 502 . 19 1 1 A 53 53 ARG CA C 53 55.597 54.826 0.771 1
1 503 . 19 1 1 A 53 53 ARG CB C 53 31.289 29.932 1.357 1
1 506 . 19 1 1 A 53 53 ARG N N 53 114.803 115.344 -0.541 1
1 507 . 19 1 1 A 54 54 ASN H H 54 7.827 8.048 -0.221 1
1 508 . 19 1 1 A 54 54 ASN HA H 54 4.352 4.461 -0.109 1
1 513 . 19 1 1 A 54 54 ASN CA C 54 54.339 54.259 0.080 1
1 514 . 19 1 1 A 54 54 ASN CB C 54 37.849 37.331 0.518 1
1 515 . 19 1 1 A 54 54 ASN N N 54 117.421 116.635 0.786 1
1 517 . 19 1 1 A 55 55 ASP H H 55 7.580 8.039 -0.459 1
1 518 . 19 1 1 A 55 55 ASP HA H 55 5.360 5.093 0.267 1
1 521 . 19 1 1 A 55 55 ASP CA C 55 51.697 51.593 0.104 1
1 522 . 19 1 1 A 55 55 ASP CB C 55 43.377 41.647 1.730 1
1 523 . 19 1 1 A 55 55 ASP N N 55 115.802 118.503 -2.701 1
1 524 . 19 1 1 A 56 56 PRO HA H 56 4.022 3.398 0.624 1
1 531 . 19 1 1 A 56 56 PRO CA C 56 63.115 62.155 0.960 1
1 532 . 19 1 1 A 56 56 PRO CB C 56 32.348 32.058 0.290 1
1 535 . 19 1 1 A 57 57 PHE H H 57 9.207 8.420 0.787 1
1 536 . 19 1 1 A 57 57 PHE HA H 57 4.874 4.821 0.053 1
1 544 . 19 1 1 A 57 57 PHE CA C 57 57.290 57.312 -0.022 1
1 545 . 19 1 1 A 57 57 PHE CB C 57 42.517 39.740 2.777 1
1 546 . 19 1 1 A 57 57 PHE N N 57 124.509 123.359 1.150 1
1 547 . 19 1 1 A 58 58 ALA H H 58 7.942 8.856 -0.914 1
1 548 . 19 1 1 A 58 58 ALA HA H 58 5.928 5.801 0.127 1
1 552 . 19 1 1 A 58 58 ALA CA C 58 49.705 50.146 -0.441 1
1 553 . 19 1 1 A 58 58 ALA CB C 58 21.621 22.444 -0.823 1
1 554 . 19 1 1 A 58 58 ALA N N 58 130.661 129.898 0.763 1
1 555 . 19 1 1 A 59 59 PHE H H 59 8.455 8.745 -0.290 1
1 556 . 19 1 1 A 59 59 PHE HA H 59 4.660 5.100 -0.440 1
1 564 . 19 1 1 A 59 59 PHE CA C 59 55.610 56.114 -0.504 1
1 565 . 19 1 1 A 59 59 PHE CB C 59 40.857 40.626 0.231 1
1 566 . 19 1 1 A 59 59 PHE N N 59 114.967 117.132 -2.165 1
1 567 . 19 1 1 A 60 60 VAL H H 60 8.168 8.875 -0.707 1
1 568 . 19 1 1 A 60 60 VAL HA H 60 4.084 4.159 -0.075 1
1 576 . 19 1 1 A 60 60 VAL CA C 60 61.907 62.492 -0.585 1
1 577 . 19 1 1 A 60 60 VAL CB C 60 31.564 32.134 -0.570 1
1 580 . 19 1 1 A 60 60 VAL N N 60 120.308 120.047 0.261 1
1 581 . 19 1 1 A 61 61 LEU H H 61 8.900 8.426 0.474 1
1 582 . 19 1 1 A 61 61 LEU HA H 61 4.248 3.771 0.477 1
1 592 . 19 1 1 A 61 61 LEU CA C 61 56.558 56.297 0.261 1
1 593 . 19 1 1 A 61 61 LEU CB C 61 41.736 41.579 0.157 1
1 597 . 19 1 1 A 61 61 LEU N N 61 134.513 129.584 4.929 1
1 598 . 19 1 1 A 62 62 GLY H H 62 9.652 8.862 0.790 1
1 599 . 19 1 1 A 62 62 GLY HA2 H 62 3.558 3.967 -0.409 1
1 600 . 19 1 1 A 62 62 GLY HA3 H 62 4.154 3.998 0.156 1
1 601 . 19 1 1 A 62 62 GLY CA C 62 45.721 45.773 -0.052 1
1 602 . 19 1 1 A 62 62 GLY N N 62 119.352 115.180 4.172 1
1 603 . 19 1 1 A 63 63 GLY H H 63 8.338 7.657 0.681 1
1 604 . 19 1 1 A 63 63 GLY HA2 H 63 3.557 4.185 -0.628 1
1 605 . 19 1 1 A 63 63 GLY HA3 H 63 4.298 4.195 0.103 1
1 606 . 19 1 1 A 63 63 GLY CA C 63 45.442 45.797 -0.355 1
1 607 . 19 1 1 A 63 63 GLY N N 63 107.002 106.688 0.314 1
1 608 . 19 1 1 A 64 64 GLY H H 64 9.301 8.483 0.818 1
1 609 . 19 1 1 A 64 64 GLY HA2 H 64 4.057 4.202 -0.145 1
1 610 . 19 1 1 A 64 64 GLY HA3 H 64 4.057 4.221 -0.164 1
1 611 . 19 1 1 A 64 64 GLY CA C 64 46.425 45.589 0.836 1
1 612 . 19 1 1 A 64 64 GLY N N 64 112.092 112.562 -0.470 1
1 613 . 19 1 1 A 65 65 MET H H 65 9.574 7.997 1.577 1
1 614 . 19 1 1 A 65 65 MET HA H 65 4.546 4.027 0.519 1
1 619 . 19 1 1 A 65 65 MET CA C 65 55.641 56.671 -1.030 1
1 620 . 19 1 1 A 65 65 MET CB C 65 33.268 31.248 2.020 1
1 622 . 19 1 1 A 65 65 MET N N 65 118.659 115.299 3.360 1
1 623 . 19 1 1 A 66 66 VAL H H 66 6.867 7.586 -0.719 1
1 624 . 19 1 1 A 66 66 VAL HA H 66 4.454 4.486 -0.032 1
1 632 . 19 1 1 A 66 66 VAL CA C 66 57.545 58.604 -1.059 1
1 633 . 19 1 1 A 66 66 VAL CB C 66 35.736 35.364 0.372 1
1 636 . 19 1 1 A 66 66 VAL N N 66 108.649 113.023 -4.374 1
1 637 . 19 1 1 A 67 67 ILE H H 67 7.158 7.649 -0.491 1
1 638 . 19 1 1 A 67 67 ILE HA H 67 3.894 4.129 -0.235 1
1 648 . 19 1 1 A 67 67 ILE CA C 67 62.065 61.513 0.552 1
1 649 . 19 1 1 A 67 67 ILE CB C 67 37.130 38.521 -1.391 1
1 653 . 19 1 1 A 67 67 ILE N N 67 111.614 117.487 -5.873 1
1 654 . 19 1 1 A 68 68 LYS H H 68 9.182 8.865 0.317 1
1 655 . 19 1 1 A 68 68 LYS HA H 68 4.241 3.955 0.286 1
1 664 . 19 1 1 A 68 68 LYS CA C 68 60.042 59.550 0.492 1
1 665 . 19 1 1 A 68 68 LYS CB C 68 33.366 32.218 1.148 1
1 669 . 19 1 1 A 68 68 LYS N N 68 125.685 123.511 2.174 1
1 670 . 19 1 1 A 69 69 GLY H H 69 9.653 8.296 1.357 1
1 671 . 19 1 1 A 69 69 GLY HA2 H 69 3.595 3.850 -0.255 1
1 672 . 19 1 1 A 69 69 GLY HA3 H 69 3.971 3.873 0.098 1
1 673 . 19 1 1 A 69 69 GLY CA C 69 47.597 47.382 0.215 1
1 674 . 19 1 1 A 69 69 GLY N N 69 102.438 106.911 -4.473 1
1 675 . 19 1 1 A 70 70 TRP H H 70 7.745 7.870 -0.125 1
1 676 . 19 1 1 A 70 70 TRP HA H 70 4.152 4.545 -0.393 1
1 684 . 19 1 1 A 70 70 TRP CA C 70 60.737 60.517 0.220 1
1 685 . 19 1 1 A 70 70 TRP CB C 70 29.185 28.153 1.032 1
1 686 . 19 1 1 A 70 70 TRP N N 70 120.118 121.383 -1.265 1
1 687 . 19 1 1 A 71 71 ASP H H 71 7.058 8.470 -1.412 1
1 688 . 19 1 1 A 71 71 ASP HA H 71 4.878 4.419 0.459 1
1 691 . 19 1 1 A 71 71 ASP CA C 71 57.165 57.916 -0.751 1
1 692 . 19 1 1 A 71 71 ASP CB C 71 40.749 41.850 -1.101 1
1 693 . 19 1 1 A 71 71 ASP N N 71 120.287 119.765 0.522 1
1 694 . 19 1 1 A 72 72 GLU H H 72 7.856 8.931 -1.075 1
1 695 . 19 1 1 A 72 72 GLU HA H 72 4.120 4.092 0.028 1
1 700 . 19 1 1 A 72 72 GLU CA C 72 58.236 59.125 -0.889 1
1 701 . 19 1 1 A 72 72 GLU CB C 72 30.409 29.397 1.012 1
1 703 . 19 1 1 A 72 72 GLU N N 72 114.126 118.434 -4.308 1
1 704 . 19 1 1 A 73 73 GLY H H 73 7.732 8.033 -0.301 1
1 705 . 19 1 1 A 73 73 GLY HA2 H 73 3.565 3.675 -0.110 1
1 706 . 19 1 1 A 73 73 GLY HA3 H 73 3.565 3.685 -0.120 1
1 707 . 19 1 1 A 73 73 GLY CA C 73 47.427 47.219 0.208 1
1 708 . 19 1 1 A 73 73 GLY N N 73 104.848 108.471 -3.623 1
1 709 . 19 1 1 A 74 74 VAL H H 74 8.138 8.753 -0.615 1
1 710 . 19 1 1 A 74 74 VAL HA H 74 3.630 3.978 -0.348 1
1 718 . 19 1 1 A 74 74 VAL CA C 74 63.679 63.752 -0.073 1
1 719 . 19 1 1 A 74 74 VAL CB C 74 31.206 31.578 -0.372 1
1 722 . 19 1 1 A 74 74 VAL N N 74 117.660 122.147 -4.487 1
1 723 . 19 1 1 A 75 75 GLN H H 75 6.431 8.103 -1.672 1
1 724 . 19 1 1 A 75 75 GLN HA H 75 3.598 4.172 -0.574 1
1 731 . 19 1 1 A 75 75 GLN CA C 75 58.343 55.257 3.086 1
1 732 . 19 1 1 A 75 75 GLN CB C 75 28.747 27.755 0.992 1
1 734 . 19 1 1 A 75 75 GLN N N 75 116.376 117.443 -1.067 1
1 736 . 19 1 1 A 76 76 GLY H H 76 8.577 7.750 0.827 1
1 737 . 19 1 1 A 76 76 GLY HA2 H 76 3.647 4.101 -0.454 1
1 738 . 19 1 1 A 76 76 GLY HA3 H 76 4.510 4.105 0.405 1
1 739 . 19 1 1 A 76 76 GLY CA C 76 45.092 45.565 -0.473 1
1 740 . 19 1 1 A 76 76 GLY N N 76 111.539 109.158 2.381 1
1 741 . 19 1 1 A 77 77 MET H H 77 7.609 7.727 -0.118 1
1 742 . 19 1 1 A 77 77 MET HA H 77 3.948 4.439 -0.491 1
1 747 . 19 1 1 A 77 77 MET CA C 77 58.260 56.506 1.754 1
1 748 . 19 1 1 A 77 77 MET CB C 77 34.641 33.418 1.223 1
1 750 . 19 1 1 A 77 77 MET N N 77 119.140 120.399 -1.259 1
1 751 . 19 1 1 A 78 78 LYS H H 78 8.348 8.839 -0.491 1
1 752 . 19 1 1 A 78 78 LYS HA H 78 5.015 5.135 -0.120 1
1 761 . 19 1 1 A 78 78 LYS CA C 78 54.136 54.163 -0.027 1
1 762 . 19 1 1 A 78 78 LYS CB C 78 34.944 35.431 -0.487 1
1 766 . 19 1 1 A 78 78 LYS N N 78 119.308 120.657 -1.349 1
1 767 . 19 1 1 A 79 79 VAL H H 79 8.622 8.797 -0.175 1
1 768 . 19 1 1 A 79 79 VAL HA H 79 3.160 3.463 -0.303 1
1 776 . 19 1 1 A 79 79 VAL CA C 79 66.585 65.426 1.159 1
1 777 . 19 1 1 A 79 79 VAL CB C 79 31.690 31.474 0.216 1
1 780 . 19 1 1 A 79 79 VAL N N 79 123.215 122.246 0.969 1
1 781 . 19 1 1 A 80 80 GLY H H 80 8.623 8.783 -0.160 1
1 782 . 19 1 1 A 80 80 GLY HA2 H 80 3.901 4.028 -0.127 1
1 783 . 19 1 1 A 80 80 GLY HA3 H 80 4.654 4.031 0.623 1
1 784 . 19 1 1 A 80 80 GLY CA C 80 44.457 45.120 -0.663 1
1 785 . 19 1 1 A 80 80 GLY N N 80 115.910 114.748 1.162 1
1 786 . 19 1 1 A 81 81 GLY H H 81 9.283 8.284 0.999 1
1 787 . 19 1 1 A 81 81 GLY HA2 H 81 3.574 4.006 -0.432 1
1 788 . 19 1 1 A 81 81 GLY HA3 H 81 3.916 4.010 -0.094 1
1 789 . 19 1 1 A 81 81 GLY CA C 81 45.310 44.850 0.460 1
1 790 . 19 1 1 A 81 81 GLY N N 81 111.030 108.072 2.958 1
1 791 . 19 1 1 A 82 82 VAL H H 82 8.403 8.808 -0.405 1
1 792 . 19 1 1 A 82 82 VAL HA H 82 5.141 5.128 0.013 1
1 800 . 19 1 1 A 82 82 VAL CA C 82 61.633 61.023 0.610 1
1 801 . 19 1 1 A 82 82 VAL CB C 82 34.572 34.303 0.269 1
1 804 . 19 1 1 A 82 82 VAL N N 82 119.626 124.869 -5.243 1
1 805 . 19 1 1 A 83 83 ARG H H 83 9.383 8.898 0.485 1
1 806 . 19 1 1 A 83 83 ARG HA H 83 5.354 5.089 0.265 1
1 813 . 19 1 1 A 83 83 ARG CA C 83 54.577 54.809 -0.232 1
1 814 . 19 1 1 A 83 83 ARG CB C 83 35.933 34.148 1.785 1
1 817 . 19 1 1 A 83 83 ARG N N 83 130.545 124.084 6.461 1
1 818 . 19 1 1 A 84 84 ARG H H 84 9.618 8.416 1.202 1
1 819 . 19 1 1 A 84 84 ARG HA H 84 5.650 4.676 0.974 1
1 826 . 19 1 1 A 84 84 ARG CA C 84 54.383 55.709 -1.326 1
1 827 . 19 1 1 A 84 84 ARG CB C 84 32.969 31.338 1.631 1
1 830 . 19 1 1 A 84 84 ARG N N 84 127.552 120.142 7.410 1
1 831 . 19 1 1 A 85 85 LEU H H 85 10.121 9.081 1.040 1
1 832 . 19 1 1 A 85 85 LEU HA H 85 5.232 5.415 -0.183 1
1 842 . 19 1 1 A 85 85 LEU CA C 85 53.442 53.500 -0.058 1
1 843 . 19 1 1 A 85 85 LEU CB C 85 45.431 44.623 0.808 1
1 847 . 19 1 1 A 85 85 LEU N N 85 128.946 125.528 3.418 1
1 848 . 19 1 1 A 86 86 THR H H 86 9.594 9.004 0.590 1
1 849 . 19 1 1 A 86 86 THR HA H 86 5.081 4.638 0.443 1
1 854 . 19 1 1 A 86 86 THR CA C 86 63.525 62.856 0.669 1
1 855 . 19 1 1 A 86 86 THR CB C 86 68.690 69.038 -0.348 1
1 857 . 19 1 1 A 86 86 THR N N 86 121.842 120.014 1.828 1
1 858 . 19 1 1 A 87 87 ILE H H 87 10.109 9.103 1.006 1
1 859 . 19 1 1 A 87 87 ILE HA H 87 4.539 4.722 -0.183 1
1 869 . 19 1 1 A 87 87 ILE CA C 87 58.954 58.214 0.740 1
1 870 . 19 1 1 A 87 87 ILE CB C 87 40.704 38.651 2.053 1
1 874 . 19 1 1 A 87 87 ILE N N 87 129.512 128.504 1.008 1
1 875 . 19 1 1 A 88 88 PRO HA H 88 4.981 4.704 0.277 1
1 882 . 19 1 1 A 88 88 PRO CA C 88 61.675 61.846 -0.171 1
1 883 . 19 1 1 A 88 88 PRO CB C 88 30.917 32.624 -1.707 1
1 886 . 19 1 1 A 89 89 PRO HA H 89 4.439 4.294 0.145 1
1 893 . 19 1 1 A 89 89 PRO CA C 89 65.384 65.314 0.070 1
1 894 . 19 1 1 A 89 89 PRO CB C 89 30.913 32.089 -1.176 1
1 897 . 19 1 1 A 90 90 GLN H H 90 9.574 8.890 0.684 1
1 898 . 19 1 1 A 90 90 GLN HA H 90 4.296 4.183 0.113 1
1 905 . 19 1 1 A 90 90 GLN CA C 90 58.441 57.499 0.942 1
1 906 . 19 1 1 A 90 90 GLN CB C 90 26.402 27.385 -0.983 1
1 908 . 19 1 1 A 90 90 GLN N N 90 118.710 115.506 3.204 1
1 910 . 19 1 1 A 91 91 LEU H H 91 7.976 7.363 0.613 1
1 911 . 19 1 1 A 91 91 LEU HA H 91 4.636 4.638 -0.002 1
1 921 . 19 1 1 A 91 91 LEU CA C 91 53.625 54.276 -0.651 1
1 922 . 19 1 1 A 91 91 LEU CB C 91 42.819 43.401 -0.582 1
1 926 . 19 1 1 A 91 91 LEU N N 91 119.302 118.686 0.616 1
1 927 . 19 1 1 A 92 92 GLY H H 92 7.717 7.873 -0.156 1
1 928 . 19 1 1 A 92 92 GLY HA2 H 92 3.258 4.102 -0.844 1
1 929 . 19 1 1 A 92 92 GLY HA3 H 92 4.121 4.155 -0.034 1
1 930 . 19 1 1 A 92 92 GLY CA C 92 45.183 45.798 -0.615 1
1 931 . 19 1 1 A 92 92 GLY N N 92 110.415 107.430 2.985 1
1 932 . 19 1 1 A 93 93 TYR H H 93 9.662 8.670 0.992 1
1 933 . 19 1 1 A 93 93 TYR HA H 93 4.513 4.204 0.309 1
1 940 . 19 1 1 A 93 93 TYR CA C 93 58.603 61.245 -2.642 1
1 941 . 19 1 1 A 93 93 TYR CB C 93 37.762 38.949 -1.187 1
1 942 . 19 1 1 A 93 93 TYR N N 93 126.998 122.406 4.592 1
1 943 . 19 1 1 A 94 94 GLY H H 94 8.467 7.983 0.484 1
1 944 . 19 1 1 A 94 94 GLY HA2 H 94 3.633 4.103 -0.470 1
1 945 . 19 1 1 A 94 94 GLY HA3 H 94 3.888 4.113 -0.225 1
1 946 . 19 1 1 A 94 94 GLY CA C 94 47.023 43.837 3.186 1
1 947 . 19 1 1 A 94 94 GLY N N 94 108.486 106.201 2.285 1
1 948 . 19 1 1 A 95 95 ALA H H 95 7.636 8.629 -0.993 1
1 949 . 19 1 1 A 95 95 ALA HA H 95 4.151 4.420 -0.269 1
1 953 . 19 1 1 A 95 95 ALA CA C 95 53.326 52.919 0.407 1
1 954 . 19 1 1 A 95 95 ALA CB C 95 18.831 18.814 0.017 1
1 955 . 19 1 1 A 96 96 ARG H H 96 7.910 7.735 0.175 1
1 956 . 19 1 1 A 96 96 ARG HA H 96 4.227 4.111 0.116 1
1 963 . 19 1 1 A 96 96 ARG CA C 96 57.514 56.891 0.623 1
1 964 . 19 1 1 A 96 96 ARG CB C 96 31.353 30.274 1.079 1
1 967 . 19 1 1 A 96 96 ARG N N 96 115.669 116.842 -1.173 1
1 968 . 19 1 1 A 97 97 GLY H H 97 6.917 7.900 -0.983 1
1 969 . 19 1 1 A 97 97 GLY HA2 H 97 3.272 4.017 -0.745 1
1 970 . 19 1 1 A 97 97 GLY HA3 H 97 3.908 4.048 -0.140 1
1 971 . 19 1 1 A 97 97 GLY CA C 97 44.693 44.787 -0.094 1
1 972 . 19 1 1 A 97 97 GLY N N 97 103.795 107.019 -3.224 1
1 973 . 19 1 1 A 98 98 ALA H H 98 8.187 8.159 0.028 1
1 974 . 19 1 1 A 98 98 ALA HA H 98 4.287 4.623 -0.336 1
1 978 . 19 1 1 A 98 98 ALA CA C 98 52.717 51.254 1.463 1
1 979 . 19 1 1 A 98 98 ALA CB C 98 20.563 20.098 0.465 1
1 980 . 19 1 1 A 98 98 ALA N N 98 118.770 122.333 -3.563 1
1 981 . 19 1 1 A 99 99 GLY H H 99 8.904 7.259 1.645 1
1 982 . 19 1 1 A 99 99 GLY HA2 H 99 3.670 4.133 -0.463 1
1 983 . 19 1 1 A 99 99 GLY HA3 H 99 3.854 4.135 -0.281 1
1 984 . 19 1 1 A 99 99 GLY CA C 99 46.848 44.236 2.612 1
1 985 . 19 1 1 A 99 99 GLY N N 99 109.717 106.488 3.229 1
1 986 . 19 1 1 A 100 100 GLY H H 100 8.759 9.042 -0.283 1
1 987 . 19 1 1 A 100 100 GLY HA2 H 100 3.719 3.892 -0.173 1
1 988 . 19 1 1 A 100 100 GLY HA3 H 100 4.041 3.893 0.148 1
1 989 . 19 1 1 A 100 100 GLY CA C 100 45.655 47.356 -1.701 1
1 990 . 19 1 1 A 100 100 GLY N N 100 110.895 109.989 0.906 1
1 991 . 19 1 1 A 101 101 VAL H H 101 7.631 7.771 -0.140 1
1 992 . 19 1 1 A 101 101 VAL HA H 101 4.226 3.869 0.357 1
1 1000 . 19 1 1 A 101 101 VAL CA C 101 62.518 65.192 -2.674 1
1 1001 . 19 1 1 A 101 101 VAL CB C 101 34.660 32.066 2.594 1
1 1004 . 19 1 1 A 101 101 VAL N N 101 115.165 121.013 -5.848 1
1 1005 . 19 1 1 A 102 102 ILE H H 102 7.686 7.965 -0.279 1
1 1006 . 19 1 1 A 102 102 ILE HA H 102 4.351 4.449 -0.098 1
1 1016 . 19 1 1 A 102 102 ILE CA C 102 57.498 57.878 -0.380 1
1 1017 . 19 1 1 A 102 102 ILE CB C 102 38.189 38.881 -0.692 1
1 1021 . 19 1 1 A 102 102 ILE N N 102 120.043 120.765 -0.722 1
1 1022 . 19 1 1 A 103 103 PRO HA H 103 4.727 4.710 0.017 1
1 1029 . 19 1 1 A 103 103 PRO CA C 103 61.614 61.760 -0.146 1
1 1030 . 19 1 1 A 103 103 PRO CB C 103 31.055 32.631 -1.576 1
1 1033 . 19 1 1 A 104 104 PRO HA H 104 3.778 4.445 -0.667 1
1 1040 . 19 1 1 A 104 104 PRO CA C 104 63.599 64.750 -1.151 1
1 1041 . 19 1 1 A 104 104 PRO CB C 104 33.183 31.738 1.445 1
1 1044 . 19 1 1 A 105 105 ASN H H 105 8.581 8.598 -0.017 1
1 1045 . 19 1 1 A 105 105 ASN HA H 105 3.928 4.810 -0.882 1
1 1050 . 19 1 1 A 105 105 ASN CA C 105 54.447 52.450 1.997 1
1 1051 . 19 1 1 A 105 105 ASN CB C 105 37.280 38.135 -0.855 1
1 1052 . 19 1 1 A 105 105 ASN N N 105 117.269 114.279 2.990 1
1 1054 . 19 1 1 A 106 106 ALA H H 106 7.637 7.131 0.506 1
1 1055 . 19 1 1 A 106 106 ALA HA H 106 4.456 4.347 0.109 1
1 1059 . 19 1 1 A 106 106 ALA CA C 106 52.493 52.195 0.298 1
1 1060 . 19 1 1 A 106 106 ALA CB C 106 20.938 20.037 0.901 1
1 1061 . 19 1 1 A 106 106 ALA N N 106 121.257 122.636 -1.379 1
1 1062 . 19 1 1 A 107 107 THR H H 107 8.492 8.610 -0.118 1
1 1063 . 19 1 1 A 107 107 THR HA H 107 4.781 5.189 -0.408 1
1 1068 . 19 1 1 A 107 107 THR CA C 107 63.319 61.356 1.963 1
1 1069 . 19 1 1 A 107 107 THR CB C 107 69.430 71.916 -2.486 1
1 1071 . 19 1 1 A 107 107 THR N N 107 121.742 116.012 5.730 1
1 1072 . 19 1 1 A 108 108 LEU H H 108 8.900 8.747 0.153 1
1 1073 . 19 1 1 A 108 108 LEU HA H 108 5.132 5.181 -0.049 1
1 1083 . 19 1 1 A 108 108 LEU CA C 108 52.950 53.495 -0.545 1
1 1084 . 19 1 1 A 108 108 LEU CB C 108 46.730 45.155 1.575 1
1 1088 . 19 1 1 A 108 108 LEU N N 108 125.279 125.072 0.207 1
1 1089 . 19 1 1 A 109 109 VAL H H 109 8.933 9.079 -0.146 1
1 1090 . 19 1 1 A 109 109 VAL HA H 109 5.532 5.158 0.374 1
1 1098 . 19 1 1 A 109 109 VAL CA C 109 60.793 60.312 0.481 1
1 1099 . 19 1 1 A 109 109 VAL CB C 109 34.138 34.039 0.099 1
1 1102 . 19 1 1 A 109 109 VAL N N 109 122.496 120.399 2.097 1
1 1103 . 19 1 1 A 110 110 PHE H H 110 9.737 9.331 0.406 1
1 1104 . 19 1 1 A 110 110 PHE HA H 110 6.457 5.343 1.114 1
1 1112 . 19 1 1 A 110 110 PHE CA C 110 55.265 55.863 -0.598 1
1 1113 . 19 1 1 A 110 110 PHE CB C 110 44.818 42.724 2.094 1
1 1114 . 19 1 1 A 110 110 PHE N N 110 121.114 122.454 -1.340 1
1 1115 . 19 1 1 A 111 111 GLU H H 111 9.223 8.140 1.083 1
1 1116 . 19 1 1 A 111 111 GLU HA H 111 5.202 4.391 0.811 1
1 1121 . 19 1 1 A 111 111 GLU CA C 111 56.709 55.541 1.168 1
1 1122 . 19 1 1 A 111 111 GLU CB C 111 32.338 29.585 2.753 1
1 1124 . 19 1 1 A 111 111 GLU N N 111 122.210 123.445 -1.235 1
1 1125 . 19 1 1 A 112 112 VAL H H 112 9.269 8.498 0.771 1
1 1126 . 19 1 1 A 112 112 VAL HA H 112 4.796 4.795 0.001 1
1 1134 . 19 1 1 A 112 112 VAL CA C 112 61.127 61.618 -0.491 1
1 1135 . 19 1 1 A 112 112 VAL CB C 112 34.634 32.844 1.790 1
1 1136 . 19 1 1 A 112 112 VAL N N 112 126.195 127.114 -0.919 1
1 1137 . 19 1 1 A 113 113 GLU H H 113 9.545 9.038 0.507 1
1 1138 . 19 1 1 A 113 113 GLU HA H 113 5.483 4.946 0.537 1
1 1143 . 19 1 1 A 113 113 GLU CA C 113 53.159 55.245 -2.086 1
1 1144 . 19 1 1 A 113 113 GLU CB C 113 32.657 32.750 -0.093 1
1 1146 . 19 1 1 A 113 113 GLU N N 113 128.111 128.494 -0.383 1
1 1147 . 19 1 1 A 114 114 LEU H H 114 8.261 8.636 -0.375 1
1 1148 . 19 1 1 A 114 114 LEU HA H 114 4.634 4.359 0.275 1
1 1158 . 19 1 1 A 114 114 LEU CA C 114 55.217 56.157 -0.940 1
1 1159 . 19 1 1 A 114 114 LEU CB C 114 41.826 42.457 -0.631 1
1 1163 . 19 1 1 A 114 114 LEU N N 114 126.273 128.573 -2.300 1
1 1164 . 19 1 1 A 115 115 LEU H H 115 9.258 8.895 0.363 1
1 1165 . 19 1 1 A 115 115 LEU HA H 115 4.453 4.466 -0.013 1
1 1175 . 19 1 1 A 115 115 LEU CA C 115 55.791 55.972 -0.181 1
1 1176 . 19 1 1 A 115 115 LEU CB C 115 42.897 42.958 -0.061 1
1 1180 . 19 1 1 A 115 115 LEU N N 115 130.031 127.542 2.489 1
1 1181 . 19 1 1 A 116 116 ASP H H 116 7.748 7.183 0.565 1
1 1182 . 19 1 1 A 116 116 ASP HA H 116 4.672 4.933 -0.261 1
1 1185 . 19 1 1 A 116 116 ASP CA C 116 54.385 53.656 0.729 1
1 1186 . 19 1 1 A 116 116 ASP CB C 116 43.828 43.938 -0.110 1
1 1187 . 19 1 1 A 116 116 ASP N N 116 115.338 113.668 1.670 1
1 1 . 20 1 1 A 3 3 GLY H H 3 8.684 8.180 0.504 1
1 2 . 20 1 1 A 3 3 GLY HA2 H 3 3.959 4.053 -0.094 1
1 3 . 20 1 1 A 3 3 GLY HA3 H 3 3.959 4.053 -0.094 1
1 4 . 20 1 1 A 3 3 GLY N N 3 110.167 107.783 2.384 1
1 5 . 20 1 1 A 4 4 SER H H 4 8.315 8.427 -0.112 1
1 6 . 20 1 1 A 4 4 SER HA H 4 4.468 4.714 -0.246 1
1 9 . 20 1 1 A 4 4 SER CA C 4 58.355 57.900 0.455 1
1 10 . 20 1 1 A 4 4 SER N N 4 115.851 114.929 0.922 1
1 11 . 20 1 1 A 5 5 MET H H 5 8.640 8.631 0.009 1
1 12 . 20 1 1 A 5 5 MET HA H 5 4.554 4.426 0.128 1
1 17 . 20 1 1 A 5 5 MET CA C 5 55.754 55.819 -0.065 1
1 18 . 20 1 1 A 5 5 MET CB C 5 32.870 32.829 0.041 1
1 20 . 20 1 1 A 5 5 MET N N 5 122.413 125.145 -2.732 1
1 21 . 20 1 1 A 6 6 THR H H 6 8.265 8.549 -0.284 1
1 22 . 20 1 1 A 6 6 THR HA H 6 4.296 4.995 -0.699 1
1 27 . 20 1 1 A 6 6 THR CA C 6 62.224 60.261 1.963 1
1 28 . 20 1 1 A 6 6 THR CB C 6 69.806 71.635 -1.829 1
1 30 . 20 1 1 A 6 6 THR N N 6 116.270 113.975 2.295 1
1 31 . 20 1 1 A 7 7 VAL H H 7 8.068 8.667 -0.599 1
1 32 . 20 1 1 A 7 7 VAL HA H 7 4.200 4.015 0.185 1
1 40 . 20 1 1 A 7 7 VAL CA C 7 62.021 63.138 -1.117 1
1 41 . 20 1 1 A 7 7 VAL CB C 7 32.773 31.776 0.997 1
1 44 . 20 1 1 A 7 7 VAL N N 7 124.632 121.546 3.086 1
1 45 . 20 1 1 A 8 8 VAL H H 8 8.985 8.557 0.428 1
1 46 . 20 1 1 A 8 8 VAL HA H 8 3.872 4.131 -0.259 1
1 54 . 20 1 1 A 8 8 VAL CA C 8 61.848 63.072 -1.224 1
1 55 . 20 1 1 A 8 8 VAL CB C 8 33.157 31.449 1.708 1
1 58 . 20 1 1 A 8 8 VAL N N 8 132.503 128.028 4.475 1
1 59 . 20 1 1 A 9 9 THR H H 9 8.213 8.898 -0.685 1
1 60 . 20 1 1 A 9 9 THR HA H 9 5.250 4.998 0.252 1
1 65 . 20 1 1 A 9 9 THR CA C 9 61.040 61.890 -0.850 1
1 66 . 20 1 1 A 9 9 THR CB C 9 69.773 70.512 -0.739 1
1 68 . 20 1 1 A 9 9 THR N N 9 121.386 123.109 -1.723 1
1 69 . 20 1 1 A 10 10 THR H H 10 9.318 8.704 0.614 1
1 70 . 20 1 1 A 10 10 THR HA H 10 4.693 4.786 -0.093 1
1 75 . 20 1 1 A 10 10 THR CA C 10 60.077 60.240 -0.163 1
1 76 . 20 1 1 A 10 10 THR CB C 10 70.131 71.956 -1.825 1
1 78 . 20 1 1 A 10 10 THR N N 10 119.882 116.754 3.128 1
1 79 . 20 1 1 A 11 11 GLU H H 11 9.051 8.959 0.092 1
1 80 . 20 1 1 A 11 11 GLU HA H 11 4.028 4.097 -0.069 1
1 85 . 20 1 1 A 11 11 GLU CA C 11 59.072 59.324 -0.252 1
1 86 . 20 1 1 A 11 11 GLU CB C 11 29.516 29.113 0.403 1
1 88 . 20 1 1 A 11 11 GLU N N 11 120.586 121.116 -0.530 1
1 89 . 20 1 1 A 12 12 SER H H 12 8.445 7.927 0.518 1
1 90 . 20 1 1 A 12 12 SER HA H 12 4.302 4.420 -0.118 1
1 93 . 20 1 1 A 12 12 SER CA C 12 58.483 59.586 -1.103 1
1 94 . 20 1 1 A 12 12 SER CB C 12 63.034 64.580 -1.546 1
1 95 . 20 1 1 A 12 12 SER N N 12 114.574 112.619 1.955 1
1 96 . 20 1 1 A 13 13 GLY H H 13 7.798 7.431 0.367 1
1 97 . 20 1 1 A 13 13 GLY HA2 H 13 3.425 4.065 -0.640 1
1 98 . 20 1 1 A 13 13 GLY HA3 H 13 4.401 4.068 0.333 1
1 99 . 20 1 1 A 13 13 GLY CA C 13 44.276 45.323 -1.047 1
1 100 . 20 1 1 A 13 13 GLY N N 13 109.024 109.998 -0.974 1
1 101 . 20 1 1 A 14 14 LEU H H 14 7.501 7.834 -0.333 1
1 102 . 20 1 1 A 14 14 LEU HA H 14 3.967 4.424 -0.457 1
1 112 . 20 1 1 A 14 14 LEU CA C 14 56.343 55.617 0.726 1
1 113 . 20 1 1 A 14 14 LEU CB C 14 41.856 42.712 -0.856 1
1 117 . 20 1 1 A 14 14 LEU N N 14 123.870 123.156 0.714 1
1 118 . 20 1 1 A 15 15 LYS H H 15 7.812 8.379 -0.567 1
1 119 . 20 1 1 A 15 15 LYS HA H 15 5.942 5.153 0.789 1
1 127 . 20 1 1 A 15 15 LYS CA C 15 54.052 54.713 -0.661 1
1 128 . 20 1 1 A 15 15 LYS CB C 15 36.289 35.703 0.586 1
1 132 . 20 1 1 A 15 15 LYS N N 15 123.667 125.228 -1.561 1
1 133 . 20 1 1 A 16 16 TYR H H 16 9.289 9.122 0.167 1
1 134 . 20 1 1 A 16 16 TYR HA H 16 5.996 5.508 0.488 1
1 141 . 20 1 1 A 16 16 TYR CA C 16 55.784 56.276 -0.492 1
1 142 . 20 1 1 A 16 16 TYR CB C 16 43.297 42.025 1.272 1
1 143 . 20 1 1 A 16 16 TYR N N 16 117.890 117.651 0.239 1
1 144 . 20 1 1 A 17 17 GLU H H 17 8.728 9.022 -0.294 1
1 145 . 20 1 1 A 17 17 GLU HA H 17 4.860 4.707 0.153 1
1 150 . 20 1 1 A 17 17 GLU CA C 17 54.072 54.767 -0.695 1
1 151 . 20 1 1 A 17 17 GLU CB C 17 35.222 33.173 2.049 1
1 152 . 20 1 1 A 17 17 GLU N N 17 118.386 121.748 -3.362 1
1 153 . 20 1 1 A 18 18 ASP H H 18 9.596 8.823 0.773 1
1 154 . 20 1 1 A 18 18 ASP HA H 18 5.296 4.675 0.621 1
1 157 . 20 1 1 A 18 18 ASP CA C 18 55.695 54.866 0.829 1
1 158 . 20 1 1 A 18 18 ASP CB C 18 40.940 41.378 -0.438 1
1 159 . 20 1 1 A 18 18 ASP N N 18 127.059 126.187 0.872 1
1 160 . 20 1 1 A 19 19 LEU H H 19 8.609 9.007 -0.398 1
1 161 . 20 1 1 A 19 19 LEU HA H 19 4.275 4.586 -0.311 1
1 171 . 20 1 1 A 19 19 LEU CA C 19 56.923 55.903 1.020 1
1 172 . 20 1 1 A 19 19 LEU CB C 19 41.074 43.959 -2.885 1
1 176 . 20 1 1 A 19 19 LEU N N 19 128.620 122.940 5.680 1
1 177 . 20 1 1 A 20 20 THR H H 20 8.136 8.153 -0.017 1
1 178 . 20 1 1 A 20 20 THR HA H 20 4.400 4.819 -0.419 1
1 183 . 20 1 1 A 20 20 THR CA C 20 61.835 61.336 0.499 1
1 184 . 20 1 1 A 20 20 THR CB C 20 72.411 71.766 0.645 1
1 186 . 20 1 1 A 20 20 THR N N 20 112.473 111.893 0.580 1
1 187 . 20 1 1 A 21 21 GLU H H 21 9.354 8.624 0.730 1
1 188 . 20 1 1 A 21 21 GLU HA H 21 4.370 4.278 0.092 1
1 193 . 20 1 1 A 21 21 GLU CA C 21 56.277 56.079 0.198 1
1 194 . 20 1 1 A 21 21 GLU CB C 21 30.368 30.278 0.090 1
1 196 . 20 1 1 A 21 21 GLU N N 21 130.043 126.503 3.540 1
1 197 . 20 1 1 A 22 22 GLY H H 22 9.071 8.493 0.578 1
1 198 . 20 1 1 A 22 22 GLY HA2 H 22 3.446 4.264 -0.818 1
1 199 . 20 1 1 A 22 22 GLY HA3 H 22 3.742 4.266 -0.524 1
1 200 . 20 1 1 A 22 22 GLY CA C 22 45.343 45.362 -0.019 1
1 201 . 20 1 1 A 22 22 GLY N N 22 113.930 108.215 5.715 1
1 202 . 20 1 1 A 23 23 SER H H 23 8.040 8.594 -0.554 1
1 203 . 20 1 1 A 23 23 SER HA H 23 4.671 4.890 -0.219 1
1 206 . 20 1 1 A 23 23 SER CA C 23 57.488 57.622 -0.134 1
1 207 . 20 1 1 A 23 23 SER CB C 23 65.069 64.093 0.976 1
1 208 . 20 1 1 A 23 23 SER N N 23 111.747 120.210 -8.463 1
1 209 . 20 1 1 A 24 24 GLY H H 24 8.418 8.505 -0.087 1
1 210 . 20 1 1 A 24 24 GLY HA2 H 24 3.693 4.192 -0.499 1
1 211 . 20 1 1 A 24 24 GLY HA3 H 24 4.328 4.193 0.135 1
1 212 . 20 1 1 A 24 24 GLY CA C 24 44.138 45.696 -1.558 1
1 213 . 20 1 1 A 24 24 GLY N N 24 111.391 111.862 -0.471 1
1 214 . 20 1 1 A 25 25 ALA H H 25 8.342 8.386 -0.044 1
1 215 . 20 1 1 A 25 25 ALA HA H 25 4.061 5.178 -1.117 1
1 219 . 20 1 1 A 25 25 ALA CA C 25 52.551 50.937 1.614 1
1 220 . 20 1 1 A 25 25 ALA CB C 25 19.752 22.942 -3.190 1
1 221 . 20 1 1 A 25 25 ALA N N 25 123.675 125.167 -1.492 1
1 222 . 20 1 1 A 26 26 GLU H H 26 8.194 8.547 -0.353 1
1 223 . 20 1 1 A 26 26 GLU HA H 26 4.498 4.745 -0.247 1
1 228 . 20 1 1 A 26 26 GLU CA C 26 55.174 56.321 -1.147 1
1 229 . 20 1 1 A 26 26 GLU CB C 26 31.906 30.490 1.416 1
1 231 . 20 1 1 A 26 26 GLU N N 26 119.186 122.145 -2.959 1
1 232 . 20 1 1 A 27 27 ALA H H 27 8.930 8.224 0.706 1
1 233 . 20 1 1 A 27 27 ALA HA H 27 4.527 4.243 0.284 1
1 237 . 20 1 1 A 27 27 ALA CA C 27 51.815 52.917 -1.102 1
1 238 . 20 1 1 A 27 27 ALA CB C 27 19.057 19.372 -0.315 1
1 239 . 20 1 1 A 27 27 ALA N N 27 127.513 127.299 0.214 1
1 240 . 20 1 1 A 28 28 ARG H H 28 8.348 8.718 -0.370 1
1 241 . 20 1 1 A 28 28 ARG HA H 28 4.563 4.890 -0.327 1
1 246 . 20 1 1 A 28 28 ARG CA C 28 53.584 53.794 -0.210 1
1 247 . 20 1 1 A 28 28 ARG CB C 28 33.571 33.759 -0.188 1
1 250 . 20 1 1 A 28 28 ARG N N 28 124.054 120.101 3.953 1
1 251 . 20 1 1 A 29 29 ALA H H 29 8.387 8.609 -0.222 1
1 252 . 20 1 1 A 29 29 ALA HA H 29 3.594 3.909 -0.315 1
1 256 . 20 1 1 A 29 29 ALA CA C 29 53.535 53.887 -0.352 1
1 257 . 20 1 1 A 29 29 ALA CB C 29 17.781 18.432 -0.651 1
1 258 . 20 1 1 A 29 29 ALA N N 29 122.289 126.706 -4.417 1
1 259 . 20 1 1 A 30 30 GLY H H 30 9.043 9.000 0.043 1
1 260 . 20 1 1 A 30 30 GLY HA2 H 30 3.451 4.002 -0.551 1
1 261 . 20 1 1 A 30 30 GLY HA3 H 30 4.378 4.004 0.374 1
1 262 . 20 1 1 A 30 30 GLY CA C 30 44.562 45.069 -0.507 1
1 263 . 20 1 1 A 30 30 GLY N N 30 110.956 111.090 -0.134 1
1 264 . 20 1 1 A 31 31 GLN H H 31 7.620 7.652 -0.032 1
1 265 . 20 1 1 A 31 31 GLN HA H 31 4.343 4.595 -0.252 1
1 272 . 20 1 1 A 31 31 GLN CA C 31 55.410 54.935 0.475 1
1 273 . 20 1 1 A 31 31 GLN CB C 31 30.151 30.360 -0.209 1
1 275 . 20 1 1 A 31 31 GLN N N 31 119.756 118.715 1.041 1
1 277 . 20 1 1 A 32 32 THR H H 32 8.793 8.553 0.240 1
1 278 . 20 1 1 A 32 32 THR HA H 32 4.463 4.854 -0.391 1
1 283 . 20 1 1 A 32 32 THR CA C 32 63.072 62.203 0.869 1
1 284 . 20 1 1 A 32 32 THR CB C 32 68.380 70.029 -1.649 1
1 286 . 20 1 1 A 32 32 THR N N 32 119.718 118.543 1.175 1
1 287 . 20 1 1 A 33 33 VAL H H 33 8.393 8.671 -0.278 1
1 288 . 20 1 1 A 33 33 VAL HA H 33 4.712 4.923 -0.211 1
1 296 . 20 1 1 A 33 33 VAL CA C 33 58.274 59.149 -0.875 1
1 297 . 20 1 1 A 33 33 VAL CB C 33 33.309 36.234 -2.925 1
1 300 . 20 1 1 A 33 33 VAL N N 33 120.513 119.656 0.857 1
1 301 . 20 1 1 A 34 34 SER H H 34 7.865 8.804 -0.939 1
1 302 . 20 1 1 A 34 34 SER HA H 34 5.262 5.491 -0.229 1
1 305 . 20 1 1 A 34 34 SER CA C 34 56.443 57.849 -1.406 1
1 306 . 20 1 1 A 34 34 SER CB C 34 64.882 64.323 0.559 1
1 307 . 20 1 1 A 34 34 SER N N 34 113.652 118.264 -4.612 1
1 308 . 20 1 1 A 35 35 VAL H H 35 9.531 9.611 -0.080 1
1 309 . 20 1 1 A 35 35 VAL HA H 35 5.715 5.270 0.445 1
1 317 . 20 1 1 A 35 35 VAL CA C 35 58.226 58.959 -0.733 1
1 318 . 20 1 1 A 35 35 VAL CB C 35 35.412 36.003 -0.591 1
1 321 . 20 1 1 A 35 35 VAL N N 35 117.985 119.561 -1.576 1
1 322 . 20 1 1 A 36 36 HIS H H 36 8.812 8.856 -0.044 1
1 323 . 20 1 1 A 36 36 HIS HA H 36 5.784 5.616 0.168 1
1 328 . 20 1 1 A 36 36 HIS CA C 36 54.671 53.849 0.822 1
1 329 . 20 1 1 A 36 36 HIS CB C 36 35.786 32.283 3.503 1
1 330 . 20 1 1 A 36 36 HIS N N 36 118.227 119.937 -1.710 1
1 331 . 20 1 1 A 37 37 TYR H H 37 9.680 8.883 0.797 1
1 332 . 20 1 1 A 37 37 TYR HA H 37 6.201 5.791 0.410 1
1 339 . 20 1 1 A 37 37 TYR CA C 37 56.280 55.313 0.967 1
1 340 . 20 1 1 A 37 37 TYR CB C 37 43.791 41.165 2.626 1
1 341 . 20 1 1 A 37 37 TYR N N 37 116.878 119.911 -3.033 1
1 342 . 20 1 1 A 38 38 THR H H 38 8.478 8.783 -0.305 1
1 343 . 20 1 1 A 38 38 THR HA H 38 4.374 4.536 -0.162 1
1 348 . 20 1 1 A 38 38 THR CA C 38 62.692 59.865 2.827 1
1 349 . 20 1 1 A 38 38 THR CB C 38 71.675 70.296 1.379 1
1 351 . 20 1 1 A 38 38 THR N N 38 117.172 117.323 -0.151 1
1 352 . 20 1 1 A 39 39 GLY H H 39 8.332 8.404 -0.072 1
1 353 . 20 1 1 A 39 39 GLY HA2 H 39 1.943 2.510 -0.567 1
1 354 . 20 1 1 A 39 39 GLY HA3 H 39 4.624 2.923 1.701 1
1 355 . 20 1 1 A 39 39 GLY CA C 39 44.767 44.964 -0.197 1
1 356 . 20 1 1 A 39 39 GLY N N 39 113.042 112.396 0.646 1
1 357 . 20 1 1 A 40 40 TRP H H 40 9.669 8.704 0.965 1
1 358 . 20 1 1 A 40 40 TRP HA H 40 5.499 5.317 0.182 1
1 366 . 20 1 1 A 40 40 TRP CA C 40 57.026 56.056 0.970 1
1 367 . 20 1 1 A 40 40 TRP CB C 40 34.177 32.330 1.847 1
1 368 . 20 1 1 A 40 40 TRP N N 40 123.550 125.765 -2.215 1
1 370 . 20 1 1 A 41 41 LEU H H 41 8.699 9.209 -0.510 1
1 371 . 20 1 1 A 41 41 LEU HA H 41 5.056 4.613 0.443 1
1 381 . 20 1 1 A 41 41 LEU CA C 41 54.040 54.205 -0.165 1
1 382 . 20 1 1 A 41 41 LEU CB C 41 41.981 41.928 0.053 1
1 386 . 20 1 1 A 41 41 LEU N N 41 119.318 125.114 -5.796 1
1 387 . 20 1 1 A 42 42 THR H H 42 9.418 8.805 0.613 1
1 388 . 20 1 1 A 42 42 THR HA H 42 3.962 4.157 -0.195 1
1 393 . 20 1 1 A 42 42 THR CA C 42 65.117 64.735 0.382 1
1 394 . 20 1 1 A 42 42 THR CB C 42 68.693 68.666 0.027 1
1 396 . 20 1 1 A 42 42 THR N N 42 112.465 116.983 -4.518 1
1 397 . 20 1 1 A 43 43 ASP H H 43 7.690 7.868 -0.178 1
1 398 . 20 1 1 A 43 43 ASP HA H 43 4.538 4.636 -0.098 1
1 401 . 20 1 1 A 43 43 ASP CA C 43 53.655 54.069 -0.414 1
1 402 . 20 1 1 A 43 43 ASP CB C 43 40.109 41.539 -1.430 1
1 403 . 20 1 1 A 43 43 ASP N N 43 118.952 120.257 -1.305 1
1 404 . 20 1 1 A 44 44 GLY H H 44 8.043 7.898 0.145 1
1 405 . 20 1 1 A 44 44 GLY HA2 H 44 3.521 3.909 -0.388 1
1 406 . 20 1 1 A 44 44 GLY HA3 H 44 4.318 3.918 0.400 1
1 407 . 20 1 1 A 44 44 GLY CA C 44 44.869 44.943 -0.074 1
1 408 . 20 1 1 A 44 44 GLY N N 44 107.790 106.014 1.776 1
1 409 . 20 1 1 A 45 45 GLN H H 45 8.355 7.834 0.521 1
1 410 . 20 1 1 A 45 45 GLN HA H 45 4.319 4.419 -0.100 1
1 417 . 20 1 1 A 45 45 GLN CA C 45 56.909 55.244 1.665 1
1 418 . 20 1 1 A 45 45 GLN CB C 45 29.837 29.843 -0.006 1
1 420 . 20 1 1 A 45 45 GLN N N 45 121.541 120.055 1.486 1
1 422 . 20 1 1 A 46 46 LYS H H 46 8.915 8.609 0.306 1
1 423 . 20 1 1 A 46 46 LYS HA H 46 4.454 4.628 -0.174 1
1 432 . 20 1 1 A 46 46 LYS CA C 46 55.782 56.757 -0.975 1
1 433 . 20 1 1 A 46 46 LYS CB C 46 33.097 33.360 -0.263 1
1 437 . 20 1 1 A 46 46 LYS N N 46 129.310 125.473 3.837 1
1 438 . 20 1 1 A 47 47 PHE H H 47 8.440 8.845 -0.405 1
1 439 . 20 1 1 A 47 47 PHE HA H 47 5.103 4.998 0.105 1
1 447 . 20 1 1 A 47 47 PHE CA C 47 56.272 56.600 -0.328 1
1 448 . 20 1 1 A 47 47 PHE CB C 47 41.094 40.930 0.164 1
1 449 . 20 1 1 A 47 47 PHE N N 47 122.874 122.285 0.589 1
1 450 . 20 1 1 A 48 48 ASP H H 48 6.744 7.503 -0.759 1
1 451 . 20 1 1 A 48 48 ASP HA H 48 4.790 4.831 -0.041 1
1 454 . 20 1 1 A 48 48 ASP CA C 48 54.518 54.247 0.271 1
1 455 . 20 1 1 A 48 48 ASP CB C 48 43.929 44.011 -0.082 1
1 456 . 20 1 1 A 48 48 ASP N N 48 118.152 119.648 -1.496 1
1 457 . 20 1 1 A 49 49 SER H H 49 8.122 8.873 -0.751 1
1 458 . 20 1 1 A 49 49 SER HA H 49 4.608 4.779 -0.171 1
1 461 . 20 1 1 A 49 49 SER CA C 49 56.963 57.593 -0.630 1
1 462 . 20 1 1 A 49 49 SER CB C 49 64.699 66.213 -1.514 1
1 463 . 20 1 1 A 49 49 SER N N 49 117.585 120.218 -2.633 1
1 464 . 20 1 1 A 50 50 SER H H 50 8.020 8.213 -0.193 1
1 465 . 20 1 1 A 50 50 SER HA H 50 4.045 4.001 0.044 1
1 468 . 20 1 1 A 50 50 SER CA C 50 61.482 60.222 1.260 1
1 469 . 20 1 1 A 50 50 SER CB C 50 61.488 62.469 -0.981 1
1 470 . 20 1 1 A 50 50 SER N N 50 124.801 120.139 4.662 1
1 471 . 20 1 1 A 51 51 LYS H H 51 7.730 7.766 -0.036 1
1 472 . 20 1 1 A 51 51 LYS HA H 51 3.505 4.013 -0.508 1
1 481 . 20 1 1 A 51 51 LYS CA C 51 58.921 58.694 0.227 1
1 482 . 20 1 1 A 51 51 LYS CB C 51 31.346 32.058 -0.712 1
1 486 . 20 1 1 A 51 51 LYS N N 51 124.103 120.271 3.832 1
1 487 . 20 1 1 A 52 52 ASP H H 52 7.324 7.937 -0.613 1
1 488 . 20 1 1 A 52 52 ASP HA H 52 4.284 4.420 -0.136 1
1 491 . 20 1 1 A 52 52 ASP CA C 52 56.524 57.104 -0.580 1
1 492 . 20 1 1 A 52 52 ASP CB C 52 40.201 41.398 -1.197 1
1 493 . 20 1 1 A 52 52 ASP N N 52 118.971 119.654 -0.683 1
1 494 . 20 1 1 A 53 53 ARG H H 53 6.923 7.700 -0.777 1
1 495 . 20 1 1 A 53 53 ARG HA H 53 4.461 4.379 0.082 1
1 502 . 20 1 1 A 53 53 ARG CA C 53 55.597 57.266 -1.669 1
1 503 . 20 1 1 A 53 53 ARG CB C 53 31.289 31.238 0.051 1
1 506 . 20 1 1 A 53 53 ARG N N 53 114.803 119.177 -4.374 1
1 507 . 20 1 1 A 54 54 ASN H H 54 7.827 7.974 -0.147 1
1 508 . 20 1 1 A 54 54 ASN HA H 54 4.352 4.352 0.000 1
1 513 . 20 1 1 A 54 54 ASN CA C 54 54.339 54.614 -0.275 1
1 514 . 20 1 1 A 54 54 ASN CB C 54 37.849 36.626 1.223 1
1 515 . 20 1 1 A 54 54 ASN N N 54 117.421 116.747 0.674 1
1 517 . 20 1 1 A 55 55 ASP H H 55 7.580 7.872 -0.292 1
1 518 . 20 1 1 A 55 55 ASP HA H 55 5.360 5.097 0.263 1
1 521 . 20 1 1 A 55 55 ASP CA C 55 51.697 51.824 -0.127 1
1 522 . 20 1 1 A 55 55 ASP CB C 55 43.377 44.257 -0.880 1
1 523 . 20 1 1 A 55 55 ASP N N 55 115.802 117.777 -1.975 1
1 524 . 20 1 1 A 56 56 PRO HA H 56 4.022 3.957 0.065 1
1 531 . 20 1 1 A 56 56 PRO CA C 56 63.115 62.514 0.601 1
1 532 . 20 1 1 A 56 56 PRO CB C 56 32.348 32.438 -0.090 1
1 535 . 20 1 1 A 57 57 PHE H H 57 9.207 8.511 0.696 1
1 536 . 20 1 1 A 57 57 PHE HA H 57 4.874 4.692 0.182 1
1 544 . 20 1 1 A 57 57 PHE CA C 57 57.290 57.466 -0.176 1
1 545 . 20 1 1 A 57 57 PHE CB C 57 42.517 39.188 3.329 1
1 546 . 20 1 1 A 57 57 PHE N N 57 124.509 123.034 1.475 1
1 547 . 20 1 1 A 58 58 ALA H H 58 7.942 8.788 -0.846 1
1 548 . 20 1 1 A 58 58 ALA HA H 58 5.928 5.403 0.525 1
1 552 . 20 1 1 A 58 58 ALA CA C 58 49.705 50.358 -0.653 1
1 553 . 20 1 1 A 58 58 ALA CB C 58 21.621 21.090 0.531 1
1 554 . 20 1 1 A 58 58 ALA N N 58 130.661 130.044 0.617 1
1 555 . 20 1 1 A 59 59 PHE H H 59 8.455 8.674 -0.219 1
1 556 . 20 1 1 A 59 59 PHE HA H 59 4.660 5.052 -0.392 1
1 564 . 20 1 1 A 59 59 PHE CA C 59 55.610 55.838 -0.228 1
1 565 . 20 1 1 A 59 59 PHE CB C 59 40.857 40.762 0.095 1
1 566 . 20 1 1 A 59 59 PHE N N 59 114.967 117.594 -2.627 1
1 567 . 20 1 1 A 60 60 VAL H H 60 8.168 8.820 -0.652 1
1 568 . 20 1 1 A 60 60 VAL HA H 60 4.084 4.245 -0.161 1
1 576 . 20 1 1 A 60 60 VAL CA C 60 61.907 61.816 0.091 1
1 577 . 20 1 1 A 60 60 VAL CB C 60 31.564 32.631 -1.067 1
1 580 . 20 1 1 A 60 60 VAL N N 60 120.308 119.712 0.596 1
1 581 . 20 1 1 A 61 61 LEU H H 61 8.900 8.418 0.482 1
1 582 . 20 1 1 A 61 61 LEU HA H 61 4.248 3.894 0.354 1
1 592 . 20 1 1 A 61 61 LEU CA C 61 56.558 56.107 0.451 1
1 593 . 20 1 1 A 61 61 LEU CB C 61 41.736 42.088 -0.352 1
1 597 . 20 1 1 A 61 61 LEU N N 61 134.513 129.540 4.973 1
1 598 . 20 1 1 A 62 62 GLY H H 62 9.652 9.134 0.518 1
1 599 . 20 1 1 A 62 62 GLY HA2 H 62 3.558 3.924 -0.366 1
1 600 . 20 1 1 A 62 62 GLY HA3 H 62 4.154 3.949 0.205 1
1 601 . 20 1 1 A 62 62 GLY CA C 62 45.721 46.503 -0.782 1
1 602 . 20 1 1 A 62 62 GLY N N 62 119.352 113.673 5.679 1
1 603 . 20 1 1 A 63 63 GLY H H 63 8.338 8.264 0.074 1
1 604 . 20 1 1 A 63 63 GLY HA2 H 63 3.557 3.938 -0.381 1
1 605 . 20 1 1 A 63 63 GLY HA3 H 63 4.298 3.977 0.321 1
1 606 . 20 1 1 A 63 63 GLY CA C 63 45.442 46.370 -0.928 1
1 607 . 20 1 1 A 63 63 GLY N N 63 107.002 107.940 -0.938 1
1 608 . 20 1 1 A 64 64 GLY H H 64 9.301 7.994 1.307 1
1 609 . 20 1 1 A 64 64 GLY HA2 H 64 4.057 4.020 0.037 1
1 610 . 20 1 1 A 64 64 GLY HA3 H 64 4.057 4.023 0.034 1
1 611 . 20 1 1 A 64 64 GLY CA C 64 46.425 45.363 1.062 1
1 612 . 20 1 1 A 64 64 GLY N N 64 112.092 107.514 4.578 1
1 613 . 20 1 1 A 65 65 MET H H 65 9.574 7.956 1.618 1
1 614 . 20 1 1 A 65 65 MET HA H 65 4.546 4.360 0.186 1
1 619 . 20 1 1 A 65 65 MET CA C 65 55.641 56.886 -1.245 1
1 620 . 20 1 1 A 65 65 MET CB C 65 33.268 33.974 -0.706 1
1 622 . 20 1 1 A 65 65 MET N N 65 118.659 120.752 -2.093 1
1 623 . 20 1 1 A 66 66 VAL H H 66 6.867 7.378 -0.511 1
1 624 . 20 1 1 A 66 66 VAL HA H 66 4.454 4.031 0.423 1
1 632 . 20 1 1 A 66 66 VAL CA C 66 57.545 59.852 -2.307 1
1 633 . 20 1 1 A 66 66 VAL CB C 66 35.736 33.713 2.023 1
1 636 . 20 1 1 A 66 66 VAL N N 66 108.649 115.378 -6.729 1
1 637 . 20 1 1 A 67 67 ILE H H 67 7.158 8.009 -0.851 1
1 638 . 20 1 1 A 67 67 ILE HA H 67 3.894 4.323 -0.429 1
1 648 . 20 1 1 A 67 67 ILE CA C 67 62.065 60.115 1.950 1
1 649 . 20 1 1 A 67 67 ILE CB C 67 37.130 40.002 -2.872 1
1 653 . 20 1 1 A 67 67 ILE N N 67 111.614 118.026 -6.412 1
1 654 . 20 1 1 A 68 68 LYS H H 68 9.182 8.841 0.341 1
1 655 . 20 1 1 A 68 68 LYS HA H 68 4.241 3.931 0.310 1
1 664 . 20 1 1 A 68 68 LYS CA C 68 60.042 59.576 0.466 1
1 665 . 20 1 1 A 68 68 LYS CB C 68 33.366 32.206 1.160 1
1 669 . 20 1 1 A 68 68 LYS N N 68 125.685 123.251 2.434 1
1 670 . 20 1 1 A 69 69 GLY H H 69 9.653 8.294 1.359 1
1 671 . 20 1 1 A 69 69 GLY HA2 H 69 3.595 3.817 -0.222 1
1 672 . 20 1 1 A 69 69 GLY HA3 H 69 3.971 3.834 0.137 1
1 673 . 20 1 1 A 69 69 GLY CA C 69 47.597 47.357 0.240 1
1 674 . 20 1 1 A 69 69 GLY N N 69 102.438 106.977 -4.539 1
1 675 . 20 1 1 A 70 70 TRP H H 70 7.745 7.910 -0.165 1
1 676 . 20 1 1 A 70 70 TRP HA H 70 4.152 4.600 -0.448 1
1 684 . 20 1 1 A 70 70 TRP CA C 70 60.737 60.224 0.513 1
1 685 . 20 1 1 A 70 70 TRP CB C 70 29.185 28.189 0.996 1
1 686 . 20 1 1 A 70 70 TRP N N 70 120.118 121.587 -1.469 1
1 687 . 20 1 1 A 71 71 ASP H H 71 7.058 8.415 -1.357 1
1 688 . 20 1 1 A 71 71 ASP HA H 71 4.878 4.390 0.488 1
1 691 . 20 1 1 A 71 71 ASP CA C 71 57.165 57.806 -0.641 1
1 692 . 20 1 1 A 71 71 ASP CB C 71 40.749 42.038 -1.289 1
1 693 . 20 1 1 A 71 71 ASP N N 71 120.287 119.511 0.776 1
1 694 . 20 1 1 A 72 72 GLU H H 72 7.856 8.668 -0.812 1
1 695 . 20 1 1 A 72 72 GLU HA H 72 4.120 3.981 0.139 1
1 700 . 20 1 1 A 72 72 GLU CA C 72 58.236 59.304 -1.068 1
1 701 . 20 1 1 A 72 72 GLU CB C 72 30.409 29.247 1.162 1
1 703 . 20 1 1 A 72 72 GLU N N 72 114.126 118.977 -4.851 1
1 704 . 20 1 1 A 73 73 GLY H H 73 7.732 8.212 -0.480 1
1 705 . 20 1 1 A 73 73 GLY HA2 H 73 3.565 3.513 0.052 1
1 706 . 20 1 1 A 73 73 GLY HA3 H 73 3.565 3.533 0.032 1
1 707 . 20 1 1 A 73 73 GLY CA C 73 47.427 47.274 0.153 1
1 708 . 20 1 1 A 73 73 GLY N N 73 104.848 108.029 -3.181 1
1 709 . 20 1 1 A 74 74 VAL H H 74 8.138 8.731 -0.593 1
1 710 . 20 1 1 A 74 74 VAL HA H 74 3.630 3.768 -0.138 1
1 718 . 20 1 1 A 74 74 VAL CA C 74 63.679 65.687 -2.008 1
1 719 . 20 1 1 A 74 74 VAL CB C 74 31.206 31.621 -0.415 1
1 722 . 20 1 1 A 74 74 VAL N N 74 117.660 122.362 -4.702 1
1 723 . 20 1 1 A 75 75 GLN H H 75 6.431 8.130 -1.699 1
1 724 . 20 1 1 A 75 75 GLN HA H 75 3.598 4.216 -0.618 1
1 731 . 20 1 1 A 75 75 GLN CA C 75 58.343 57.340 1.003 1
1 732 . 20 1 1 A 75 75 GLN CB C 75 28.747 28.356 0.391 1
1 734 . 20 1 1 A 75 75 GLN N N 75 116.376 118.085 -1.709 1
1 736 . 20 1 1 A 76 76 GLY H H 76 8.577 8.164 0.413 1
1 737 . 20 1 1 A 76 76 GLY HA2 H 76 3.647 3.974 -0.327 1
1 738 . 20 1 1 A 76 76 GLY HA3 H 76 4.510 3.981 0.529 1
1 739 . 20 1 1 A 76 76 GLY CA C 76 45.092 45.328 -0.236 1
1 740 . 20 1 1 A 76 76 GLY N N 76 111.539 107.479 4.060 1
1 741 . 20 1 1 A 77 77 MET H H 77 7.609 7.537 0.072 1
1 742 . 20 1 1 A 77 77 MET HA H 77 3.948 4.712 -0.764 1
1 747 . 20 1 1 A 77 77 MET CA C 77 58.260 55.846 2.414 1
1 748 . 20 1 1 A 77 77 MET CB C 77 34.641 33.990 0.651 1
1 750 . 20 1 1 A 77 77 MET N N 77 119.140 120.038 -0.898 1
1 751 . 20 1 1 A 78 78 LYS H H 78 8.348 8.896 -0.548 1
1 752 . 20 1 1 A 78 78 LYS HA H 78 5.015 5.127 -0.112 1
1 761 . 20 1 1 A 78 78 LYS CA C 78 54.136 54.186 -0.050 1
1 762 . 20 1 1 A 78 78 LYS CB C 78 34.944 35.508 -0.564 1
1 766 . 20 1 1 A 78 78 LYS N N 78 119.308 120.336 -1.028 1
1 767 . 20 1 1 A 79 79 VAL H H 79 8.622 8.851 -0.229 1
1 768 . 20 1 1 A 79 79 VAL HA H 79 3.160 3.466 -0.306 1
1 776 . 20 1 1 A 79 79 VAL CA C 79 66.585 65.438 1.147 1
1 777 . 20 1 1 A 79 79 VAL CB C 79 31.690 31.471 0.219 1
1 780 . 20 1 1 A 79 79 VAL N N 79 123.215 122.040 1.175 1
1 781 . 20 1 1 A 80 80 GLY H H 80 8.623 8.766 -0.143 1
1 782 . 20 1 1 A 80 80 GLY HA2 H 80 3.901 4.034 -0.133 1
1 783 . 20 1 1 A 80 80 GLY HA3 H 80 4.654 4.039 0.615 1
1 784 . 20 1 1 A 80 80 GLY CA C 80 44.457 45.108 -0.651 1
1 785 . 20 1 1 A 80 80 GLY N N 80 115.910 114.679 1.231 1
1 786 . 20 1 1 A 81 81 GLY H H 81 9.283 8.276 1.007 1
1 787 . 20 1 1 A 81 81 GLY HA2 H 81 3.574 4.021 -0.447 1
1 788 . 20 1 1 A 81 81 GLY HA3 H 81 3.916 4.022 -0.106 1
1 789 . 20 1 1 A 81 81 GLY CA C 81 45.310 44.685 0.625 1
1 790 . 20 1 1 A 81 81 GLY N N 81 111.030 108.260 2.770 1
1 791 . 20 1 1 A 82 82 VAL H H 82 8.403 8.712 -0.309 1
1 792 . 20 1 1 A 82 82 VAL HA H 82 5.141 5.089 0.052 1
1 800 . 20 1 1 A 82 82 VAL CA C 82 61.633 61.077 0.556 1
1 801 . 20 1 1 A 82 82 VAL CB C 82 34.572 34.974 -0.402 1
1 804 . 20 1 1 A 82 82 VAL N N 82 119.626 123.869 -4.243 1
1 805 . 20 1 1 A 83 83 ARG H H 83 9.383 8.805 0.578 1
1 806 . 20 1 1 A 83 83 ARG HA H 83 5.354 5.072 0.282 1
1 813 . 20 1 1 A 83 83 ARG CA C 83 54.577 54.828 -0.251 1
1 814 . 20 1 1 A 83 83 ARG CB C 83 35.933 34.141 1.792 1
1 817 . 20 1 1 A 83 83 ARG N N 83 130.545 124.110 6.435 1
1 818 . 20 1 1 A 84 84 ARG H H 84 9.618 8.396 1.222 1
1 819 . 20 1 1 A 84 84 ARG HA H 84 5.650 4.702 0.948 1
1 826 . 20 1 1 A 84 84 ARG CA C 84 54.383 55.507 -1.124 1
1 827 . 20 1 1 A 84 84 ARG CB C 84 32.969 31.071 1.898 1
1 830 . 20 1 1 A 84 84 ARG N N 84 127.552 120.054 7.498 1
1 831 . 20 1 1 A 85 85 LEU H H 85 10.121 9.372 0.749 1
1 832 . 20 1 1 A 85 85 LEU HA H 85 5.232 5.447 -0.215 1
1 842 . 20 1 1 A 85 85 LEU CA C 85 53.442 53.544 -0.102 1
1 843 . 20 1 1 A 85 85 LEU CB C 85 45.431 43.964 1.467 1
1 847 . 20 1 1 A 85 85 LEU N N 85 128.946 126.306 2.640 1
1 848 . 20 1 1 A 86 86 THR H H 86 9.594 9.031 0.563 1
1 849 . 20 1 1 A 86 86 THR HA H 86 5.081 4.791 0.290 1
1 854 . 20 1 1 A 86 86 THR CA C 86 63.525 62.381 1.144 1
1 855 . 20 1 1 A 86 86 THR CB C 86 68.690 69.596 -0.906 1
1 857 . 20 1 1 A 86 86 THR N N 86 121.842 120.322 1.520 1
1 858 . 20 1 1 A 87 87 ILE H H 87 10.109 8.924 1.185 1
1 859 . 20 1 1 A 87 87 ILE HA H 87 4.539 4.755 -0.216 1
1 869 . 20 1 1 A 87 87 ILE CA C 87 58.954 58.281 0.673 1
1 870 . 20 1 1 A 87 87 ILE CB C 87 40.704 38.604 2.100 1
1 874 . 20 1 1 A 87 87 ILE N N 87 129.512 128.316 1.196 1
1 875 . 20 1 1 A 88 88 PRO HA H 88 4.981 4.724 0.257 1
1 882 . 20 1 1 A 88 88 PRO CA C 88 61.675 61.856 -0.181 1
1 883 . 20 1 1 A 88 88 PRO CB C 88 30.917 32.631 -1.714 1
1 886 . 20 1 1 A 89 89 PRO HA H 89 4.439 4.289 0.150 1
1 893 . 20 1 1 A 89 89 PRO CA C 89 65.384 65.313 0.071 1
1 894 . 20 1 1 A 89 89 PRO CB C 89 30.913 32.091 -1.178 1
1 897 . 20 1 1 A 90 90 GLN H H 90 9.574 8.894 0.680 1
1 898 . 20 1 1 A 90 90 GLN HA H 90 4.296 4.183 0.113 1
1 905 . 20 1 1 A 90 90 GLN CA C 90 58.441 57.486 0.955 1
1 906 . 20 1 1 A 90 90 GLN CB C 90 26.402 27.381 -0.979 1
1 908 . 20 1 1 A 90 90 GLN N N 90 118.710 115.515 3.195 1
1 910 . 20 1 1 A 91 91 LEU H H 91 7.976 7.326 0.650 1
1 911 . 20 1 1 A 91 91 LEU HA H 91 4.636 4.613 0.023 1
1 921 . 20 1 1 A 91 91 LEU CA C 91 53.625 54.264 -0.639 1
1 922 . 20 1 1 A 91 91 LEU CB C 91 42.819 43.436 -0.617 1
1 926 . 20 1 1 A 91 91 LEU N N 91 119.302 118.888 0.414 1
1 927 . 20 1 1 A 92 92 GLY H H 92 7.717 7.915 -0.198 1
1 928 . 20 1 1 A 92 92 GLY HA2 H 92 3.258 3.947 -0.689 1
1 929 . 20 1 1 A 92 92 GLY HA3 H 92 4.121 3.956 0.165 1
1 930 . 20 1 1 A 92 92 GLY CA C 92 45.183 45.464 -0.281 1
1 931 . 20 1 1 A 92 92 GLY N N 92 110.415 108.317 2.098 1
1 932 . 20 1 1 A 93 93 TYR H H 93 9.662 8.268 1.394 1
1 933 . 20 1 1 A 93 93 TYR HA H 93 4.513 4.379 0.134 1
1 940 . 20 1 1 A 93 93 TYR CA C 93 58.603 60.824 -2.221 1
1 941 . 20 1 1 A 93 93 TYR CB C 93 37.762 39.207 -1.445 1
1 942 . 20 1 1 A 93 93 TYR N N 93 126.998 121.408 5.590 1
1 943 . 20 1 1 A 94 94 GLY H H 94 8.467 7.959 0.508 1
1 944 . 20 1 1 A 94 94 GLY HA2 H 94 3.633 4.121 -0.488 1
1 945 . 20 1 1 A 94 94 GLY HA3 H 94 3.888 4.121 -0.233 1
1 946 . 20 1 1 A 94 94 GLY CA C 94 47.023 43.834 3.189 1
1 947 . 20 1 1 A 94 94 GLY N N 94 108.486 105.886 2.600 1
1 948 . 20 1 1 A 95 95 ALA H H 95 7.636 8.593 -0.957 1
1 949 . 20 1 1 A 95 95 ALA HA H 95 4.151 4.126 0.025 1
1 953 . 20 1 1 A 95 95 ALA CA C 95 53.326 54.038 -0.712 1
1 954 . 20 1 1 A 95 95 ALA CB C 95 18.831 18.402 0.429 1
1 955 . 20 1 1 A 96 96 ARG H H 96 7.910 7.971 -0.061 1
1 956 . 20 1 1 A 96 96 ARG HA H 96 4.227 4.154 0.073 1
1 963 . 20 1 1 A 96 96 ARG CA C 96 57.514 58.370 -0.856 1
1 964 . 20 1 1 A 96 96 ARG CB C 96 31.353 31.056 0.297 1
1 967 . 20 1 1 A 96 96 ARG N N 96 115.669 118.062 -2.393 1
1 968 . 20 1 1 A 97 97 GLY H H 97 6.917 8.098 -1.181 1
1 969 . 20 1 1 A 97 97 GLY HA2 H 97 3.272 3.886 -0.614 1
1 970 . 20 1 1 A 97 97 GLY HA3 H 97 3.908 3.891 0.017 1
1 971 . 20 1 1 A 97 97 GLY CA C 97 44.693 44.948 -0.255 1
1 972 . 20 1 1 A 97 97 GLY N N 97 103.795 107.476 -3.681 1
1 973 . 20 1 1 A 98 98 ALA H H 98 8.187 8.136 0.051 1
1 974 . 20 1 1 A 98 98 ALA HA H 98 4.287 4.352 -0.065 1
1 978 . 20 1 1 A 98 98 ALA CA C 98 52.717 50.742 1.975 1
1 979 . 20 1 1 A 98 98 ALA CB C 98 20.563 19.437 1.126 1
1 980 . 20 1 1 A 98 98 ALA N N 98 118.770 122.145 -3.375 1
1 981 . 20 1 1 A 99 99 GLY H H 99 8.904 8.659 0.245 1
1 982 . 20 1 1 A 99 99 GLY HA2 H 99 3.670 3.809 -0.139 1
1 983 . 20 1 1 A 99 99 GLY HA3 H 99 3.854 3.815 0.039 1
1 984 . 20 1 1 A 99 99 GLY CA C 99 46.848 46.765 0.083 1
1 985 . 20 1 1 A 99 99 GLY N N 99 109.717 110.600 -0.883 1
1 986 . 20 1 1 A 100 100 GLY H H 100 8.759 8.877 -0.118 1
1 987 . 20 1 1 A 100 100 GLY HA2 H 100 3.719 3.917 -0.198 1
1 988 . 20 1 1 A 100 100 GLY HA3 H 100 4.041 3.919 0.122 1
1 989 . 20 1 1 A 100 100 GLY CA C 100 45.655 46.448 -0.793 1
1 990 . 20 1 1 A 100 100 GLY N N 100 110.895 113.306 -2.411 1
1 991 . 20 1 1 A 101 101 VAL H H 101 7.631 7.344 0.287 1
1 992 . 20 1 1 A 101 101 VAL HA H 101 4.226 4.632 -0.406 1
1 1000 . 20 1 1 A 101 101 VAL CA C 101 62.518 59.609 2.909 1
1 1001 . 20 1 1 A 101 101 VAL CB C 101 34.660 34.796 -0.136 1
1 1004 . 20 1 1 A 101 101 VAL N N 101 115.165 119.792 -4.627 1
1 1005 . 20 1 1 A 102 102 ILE H H 102 7.686 8.517 -0.831 1
1 1006 . 20 1 1 A 102 102 ILE HA H 102 4.351 3.796 0.555 1
1 1016 . 20 1 1 A 102 102 ILE CA C 102 57.498 61.610 -4.112 1
1 1017 . 20 1 1 A 102 102 ILE CB C 102 38.189 36.646 1.543 1
1 1021 . 20 1 1 A 102 102 ILE N N 102 120.043 123.321 -3.278 1
1 1022 . 20 1 1 A 103 103 PRO HA H 103 4.727 4.639 0.088 1
1 1029 . 20 1 1 A 103 103 PRO CA C 103 61.614 61.601 0.013 1
1 1030 . 20 1 1 A 103 103 PRO CB C 103 31.055 32.248 -1.193 1
1 1033 . 20 1 1 A 104 104 PRO HA H 104 3.778 4.293 -0.515 1
1 1040 . 20 1 1 A 104 104 PRO CA C 104 63.599 63.630 -0.031 1
1 1041 . 20 1 1 A 104 104 PRO CB C 104 33.183 31.581 1.602 1
1 1044 . 20 1 1 A 105 105 ASN H H 105 8.581 8.933 -0.352 1
1 1045 . 20 1 1 A 105 105 ASN HA H 105 3.928 4.484 -0.556 1
1 1050 . 20 1 1 A 105 105 ASN CA C 105 54.447 54.718 -0.271 1
1 1051 . 20 1 1 A 105 105 ASN CB C 105 37.280 38.145 -0.865 1
1 1052 . 20 1 1 A 105 105 ASN N N 105 117.269 120.013 -2.744 1
1 1054 . 20 1 1 A 106 106 ALA H H 106 7.637 7.484 0.153 1
1 1055 . 20 1 1 A 106 106 ALA HA H 106 4.456 4.400 0.056 1
1 1059 . 20 1 1 A 106 106 ALA CA C 106 52.493 52.195 0.298 1
1 1060 . 20 1 1 A 106 106 ALA CB C 106 20.938 19.068 1.870 1
1 1061 . 20 1 1 A 106 106 ALA N N 106 121.257 122.911 -1.654 1
1 1062 . 20 1 1 A 107 107 THR H H 107 8.492 8.733 -0.241 1
1 1063 . 20 1 1 A 107 107 THR HA H 107 4.781 4.689 0.092 1
1 1068 . 20 1 1 A 107 107 THR CA C 107 63.319 62.739 0.580 1
1 1069 . 20 1 1 A 107 107 THR CB C 107 69.430 70.193 -0.763 1
1 1071 . 20 1 1 A 107 107 THR N N 107 121.742 119.342 2.400 1
1 1072 . 20 1 1 A 108 108 LEU H H 108 8.900 8.658 0.242 1
1 1073 . 20 1 1 A 108 108 LEU HA H 108 5.132 5.127 0.005 1
1 1083 . 20 1 1 A 108 108 LEU CA C 108 52.950 53.745 -0.795 1
1 1084 . 20 1 1 A 108 108 LEU CB C 108 46.730 46.064 0.666 1
1 1088 . 20 1 1 A 108 108 LEU N N 108 125.279 124.884 0.395 1
1 1089 . 20 1 1 A 109 109 VAL H H 109 8.933 8.935 -0.002 1
1 1090 . 20 1 1 A 109 109 VAL HA H 109 5.532 4.893 0.639 1
1 1098 . 20 1 1 A 109 109 VAL CA C 109 60.793 61.420 -0.627 1
1 1099 . 20 1 1 A 109 109 VAL CB C 109 34.138 33.493 0.645 1
1 1102 . 20 1 1 A 109 109 VAL N N 109 122.496 123.833 -1.337 1
1 1103 . 20 1 1 A 110 110 PHE H H 110 9.737 9.099 0.638 1
1 1104 . 20 1 1 A 110 110 PHE HA H 110 6.457 5.111 1.346 1
1 1112 . 20 1 1 A 110 110 PHE CA C 110 55.265 56.069 -0.804 1
1 1113 . 20 1 1 A 110 110 PHE CB C 110 44.818 43.083 1.735 1
1 1114 . 20 1 1 A 110 110 PHE N N 110 121.114 123.695 -2.581 1
1 1115 . 20 1 1 A 111 111 GLU H H 111 9.223 8.719 0.504 1
1 1116 . 20 1 1 A 111 111 GLU HA H 111 5.202 4.535 0.667 1
1 1121 . 20 1 1 A 111 111 GLU CA C 111 56.709 55.303 1.406 1
1 1122 . 20 1 1 A 111 111 GLU CB C 111 32.338 30.634 1.704 1
1 1124 . 20 1 1 A 111 111 GLU N N 111 122.210 123.361 -1.151 1
1 1125 . 20 1 1 A 112 112 VAL H H 112 9.269 8.800 0.469 1
1 1126 . 20 1 1 A 112 112 VAL HA H 112 4.796 4.909 -0.113 1
1 1134 . 20 1 1 A 112 112 VAL CA C 112 61.127 61.137 -0.010 1
1 1135 . 20 1 1 A 112 112 VAL CB C 112 34.634 33.323 1.311 1
1 1136 . 20 1 1 A 112 112 VAL N N 112 126.195 126.107 0.088 1
1 1137 . 20 1 1 A 113 113 GLU H H 113 9.545 9.075 0.470 1
1 1138 . 20 1 1 A 113 113 GLU HA H 113 5.483 5.001 0.482 1
1 1143 . 20 1 1 A 113 113 GLU CA C 113 53.159 55.252 -2.093 1
1 1144 . 20 1 1 A 113 113 GLU CB C 113 32.657 32.793 -0.136 1
1 1146 . 20 1 1 A 113 113 GLU N N 113 128.111 128.325 -0.214 1
1 1147 . 20 1 1 A 114 114 LEU H H 114 8.261 8.684 -0.423 1
1 1148 . 20 1 1 A 114 114 LEU HA H 114 4.634 4.370 0.264 1
1 1158 . 20 1 1 A 114 114 LEU CA C 114 55.217 56.050 -0.833 1
1 1159 . 20 1 1 A 114 114 LEU CB C 114 41.826 42.512 -0.686 1
1 1163 . 20 1 1 A 114 114 LEU N N 114 126.273 128.576 -2.303 1
1 1164 . 20 1 1 A 115 115 LEU H H 115 9.258 8.882 0.376 1
1 1165 . 20 1 1 A 115 115 LEU HA H 115 4.453 4.431 0.022 1
1 1175 . 20 1 1 A 115 115 LEU CA C 115 55.791 56.096 -0.305 1
1 1176 . 20 1 1 A 115 115 LEU CB C 115 42.897 42.620 0.277 1
1 1180 . 20 1 1 A 115 115 LEU N N 115 130.031 127.676 2.355 1
1 1181 . 20 1 1 A 116 116 ASP H H 116 7.748 7.168 0.580 1
1 1182 . 20 1 1 A 116 116 ASP HA H 116 4.672 4.920 -0.248 1
1 1185 . 20 1 1 A 116 116 ASP CA C 116 54.385 53.690 0.695 1
1 1186 . 20 1 1 A 116 116 ASP CB C 116 43.828 44.000 -0.172 1
1 1187 . 20 1 1 A 116 116 ASP N N 116 115.338 113.454 1.884 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 113 1.102 1
3 1 1 1 "RMS(OBS, PRED)" CB 93 1.479 1
4 1 1 1 "RMS(OBS, PRED)" H 109 0.641 1
5 1 1 1 "RMS(OBS, PRED)" HA 134 0.423 1
6 1 1 1 "RMS(OBS, PRED)" N 108 2.912 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 113 1.045 1
9 1 2 1 "RMS(OBS, PRED)" CB 93 1.431 1
10 1 2 1 "RMS(OBS, PRED)" H 109 0.628 1
11 1 2 1 "RMS(OBS, PRED)" HA 134 0.423 1
12 1 2 1 "RMS(OBS, PRED)" N 108 3.076 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 113 1.066 1
15 1 3 1 "RMS(OBS, PRED)" CB 93 1.320 1
16 1 3 1 "RMS(OBS, PRED)" H 109 0.629 1
17 1 3 1 "RMS(OBS, PRED)" HA 134 0.408 1
18 1 3 1 "RMS(OBS, PRED)" N 108 3.024 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 113 1.023 1
21 1 4 1 "RMS(OBS, PRED)" CB 93 1.311 1
22 1 4 1 "RMS(OBS, PRED)" H 109 0.611 1
23 1 4 1 "RMS(OBS, PRED)" HA 134 0.419 1
24 1 4 1 "RMS(OBS, PRED)" N 108 2.973 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 113 1.076 1
27 1 5 1 "RMS(OBS, PRED)" CB 93 1.431 1
28 1 5 1 "RMS(OBS, PRED)" H 109 0.631 1
29 1 5 1 "RMS(OBS, PRED)" HA 134 0.419 1
30 1 5 1 "RMS(OBS, PRED)" N 108 3.076 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 113 1.077 1
33 1 6 1 "RMS(OBS, PRED)" CB 93 1.400 1
34 1 6 1 "RMS(OBS, PRED)" H 109 0.660 1
35 1 6 1 "RMS(OBS, PRED)" HA 134 0.409 1
36 1 6 1 "RMS(OBS, PRED)" N 108 3.091 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 113 1.028 1
39 1 7 1 "RMS(OBS, PRED)" CB 93 1.373 1
40 1 7 1 "RMS(OBS, PRED)" H 109 0.651 1
41 1 7 1 "RMS(OBS, PRED)" HA 134 0.412 1
42 1 7 1 "RMS(OBS, PRED)" N 108 3.073 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 113 1.010 1
45 1 8 1 "RMS(OBS, PRED)" CB 93 1.493 1
46 1 8 1 "RMS(OBS, PRED)" H 109 0.623 1
47 1 8 1 "RMS(OBS, PRED)" HA 134 0.426 1
48 1 8 1 "RMS(OBS, PRED)" N 108 3.088 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 113 1.095 1
51 1 9 1 "RMS(OBS, PRED)" CB 93 1.324 1
52 1 9 1 "RMS(OBS, PRED)" H 109 0.605 1
53 1 9 1 "RMS(OBS, PRED)" HA 134 0.412 1
54 1 9 1 "RMS(OBS, PRED)" N 108 3.024 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 113 1.098 1
57 1 10 1 "RMS(OBS, PRED)" CB 93 1.403 1
58 1 10 1 "RMS(OBS, PRED)" H 109 0.602 1
59 1 10 1 "RMS(OBS, PRED)" HA 134 0.404 1
60 1 10 1 "RMS(OBS, PRED)" N 108 2.975 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 113 1.082 1
63 1 11 1 "RMS(OBS, PRED)" CB 93 1.401 1
64 1 11 1 "RMS(OBS, PRED)" H 109 0.619 1
65 1 11 1 "RMS(OBS, PRED)" HA 134 0.413 1
66 1 11 1 "RMS(OBS, PRED)" N 108 2.992 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 113 1.029 1
69 1 12 1 "RMS(OBS, PRED)" CB 93 1.347 1
70 1 12 1 "RMS(OBS, PRED)" H 109 0.627 1
71 1 12 1 "RMS(OBS, PRED)" HA 134 0.406 1
72 1 12 1 "RMS(OBS, PRED)" N 108 2.926 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 113 0.998 1
75 1 13 1 "RMS(OBS, PRED)" CB 93 1.337 1
76 1 13 1 "RMS(OBS, PRED)" H 109 0.636 1
77 1 13 1 "RMS(OBS, PRED)" HA 134 0.392 1
78 1 13 1 "RMS(OBS, PRED)" N 108 2.966 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 113 1.117 1
81 1 14 1 "RMS(OBS, PRED)" CB 93 1.430 1
82 1 14 1 "RMS(OBS, PRED)" H 109 0.637 1
83 1 14 1 "RMS(OBS, PRED)" HA 134 0.402 1
84 1 14 1 "RMS(OBS, PRED)" N 108 3.020 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 113 1.033 1
87 1 15 1 "RMS(OBS, PRED)" CB 93 1.401 1
88 1 15 1 "RMS(OBS, PRED)" H 109 0.636 1
89 1 15 1 "RMS(OBS, PRED)" HA 134 0.404 1
90 1 15 1 "RMS(OBS, PRED)" N 108 3.114 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 113 1.086 1
93 1 16 1 "RMS(OBS, PRED)" CB 93 1.499 1
94 1 16 1 "RMS(OBS, PRED)" H 109 0.602 1
95 1 16 1 "RMS(OBS, PRED)" HA 134 0.420 1
96 1 16 1 "RMS(OBS, PRED)" N 108 3.011 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 113 1.044 1
99 1 17 1 "RMS(OBS, PRED)" CB 93 1.396 1
100 1 17 1 "RMS(OBS, PRED)" H 109 0.622 1
101 1 17 1 "RMS(OBS, PRED)" HA 134 0.412 1
102 1 17 1 "RMS(OBS, PRED)" N 108 3.229 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 113 1.108 1
105 1 18 1 "RMS(OBS, PRED)" CB 93 1.460 1
106 1 18 1 "RMS(OBS, PRED)" H 109 0.600 1
107 1 18 1 "RMS(OBS, PRED)" HA 134 0.423 1
108 1 18 1 "RMS(OBS, PRED)" N 108 2.862 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 113 1.057 1
111 1 19 1 "RMS(OBS, PRED)" CB 93 1.390 1
112 1 19 1 "RMS(OBS, PRED)" H 109 0.654 1
113 1 19 1 "RMS(OBS, PRED)" HA 134 0.419 1
114 1 19 1 "RMS(OBS, PRED)" N 108 3.078 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 113 1.104 1
117 1 20 1 "RMS(OBS, PRED)" CB 93 1.340 1
118 1 20 1 "RMS(OBS, PRED)" H 109 0.617 1
119 1 20 1 "RMS(OBS, PRED)" HA 134 0.408 1
120 1 20 1 "RMS(OBS, PRED)" N 108 3.137 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 3 3 GLY H H 3 8.684 8.185 0.499 2
1 2 . 1 1 A 3 3 GLY HA2 H 3 3.959 4.114 -0.155 2
1 3 . 1 1 A 3 3 GLY HA3 H 3 3.959 4.116 -0.157 2
1 4 . 1 1 A 3 3 GLY N N 3 110.167 108.677 1.490 2
1 5 . 1 1 A 4 4 SER H H 4 8.315 8.465 -0.150 2
1 6 . 1 1 A 4 4 SER HA H 4 4.468 4.638 -0.170 2
1 9 . 1 1 A 4 4 SER CA C 4 58.355 58.367 -0.012 2
1 10 . 1 1 A 4 4 SER N N 4 115.851 116.903 -1.052 2
1 11 . 1 1 A 5 5 MET H H 5 8.640 8.480 0.160 2
1 12 . 1 1 A 5 5 MET HA H 5 4.554 4.764 -0.210 2
1 17 . 1 1 A 5 5 MET CA C 5 55.754 54.597 1.157 2
1 18 . 1 1 A 5 5 MET CB C 5 32.870 32.793 0.077 2
1 20 . 1 1 A 5 5 MET N N 5 122.413 122.445 -0.032 2
1 21 . 1 1 A 6 6 THR H H 6 8.265 8.301 -0.036 2
1 22 . 1 1 A 6 6 THR HA H 6 4.296 4.838 -0.542 2
1 27 . 1 1 A 6 6 THR CA C 6 62.224 60.775 1.449 2
1 28 . 1 1 A 6 6 THR CB C 6 69.806 70.145 -0.339 2
1 30 . 1 1 A 6 6 THR N N 6 116.270 115.634 0.636 2
1 31 . 1 1 A 7 7 VAL H H 7 8.068 8.618 -0.550 2
1 32 . 1 1 A 7 7 VAL HA H 7 4.200 4.442 -0.242 2
1 40 . 1 1 A 7 7 VAL CA C 7 62.021 61.544 0.477 2
1 41 . 1 1 A 7 7 VAL CB C 7 32.773 33.312 -0.539 2
1 44 . 1 1 A 7 7 VAL N N 7 124.632 126.154 -1.522 2
1 45 . 1 1 A 8 8 VAL H H 8 8.985 8.218 0.767 2
1 46 . 1 1 A 8 8 VAL HA H 8 3.872 4.450 -0.578 2
1 54 . 1 1 A 8 8 VAL CA C 8 61.848 61.642 0.206 2
1 55 . 1 1 A 8 8 VAL CB C 8 33.157 32.716 0.441 2
1 58 . 1 1 A 8 8 VAL N N 8 132.503 128.175 4.328 2
1 59 . 1 1 A 9 9 THR H H 9 8.213 8.851 -0.638 2
1 60 . 1 1 A 9 9 THR HA H 9 5.250 5.011 0.238 2
1 65 . 1 1 A 9 9 THR CA C 9 61.040 61.490 -0.450 2
1 66 . 1 1 A 9 9 THR CB C 9 69.773 71.089 -1.316 2
1 68 . 1 1 A 9 9 THR N N 9 121.386 122.872 -1.486 2
1 69 . 1 1 A 10 10 THR H H 10 9.318 8.640 0.678 2
1 70 . 1 1 A 10 10 THR HA H 10 4.693 4.873 -0.180 2
1 75 . 1 1 A 10 10 THR CA C 10 60.077 60.085 -0.008 2
1 76 . 1 1 A 10 10 THR CB C 10 70.131 71.402 -1.271 2
1 78 . 1 1 A 10 10 THR N N 10 119.882 115.425 4.457 2
1 79 . 1 1 A 11 11 GLU H H 11 9.051 8.953 0.098 2
1 80 . 1 1 A 11 11 GLU HA H 11 4.028 4.084 -0.056 2
1 85 . 1 1 A 11 11 GLU CA C 11 59.072 59.222 -0.150 2
1 86 . 1 1 A 11 11 GLU CB C 11 29.516 29.309 0.206 2
1 88 . 1 1 A 11 11 GLU N N 11 120.586 121.298 -0.712 2
1 89 . 1 1 A 12 12 SER H H 12 8.445 7.792 0.654 2
1 90 . 1 1 A 12 12 SER HA H 12 4.302 4.473 -0.171 2
1 93 . 1 1 A 12 12 SER CA C 12 58.483 59.348 -0.865 2
1 94 . 1 1 A 12 12 SER CB C 12 63.034 63.907 -0.873 2
1 95 . 1 1 A 12 12 SER N N 12 114.574 113.183 1.391 2
1 96 . 1 1 A 13 13 GLY H H 13 7.798 7.718 0.080 2
1 97 . 1 1 A 13 13 GLY HA2 H 13 3.425 4.059 -0.634 2
1 98 . 1 1 A 13 13 GLY HA3 H 13 4.401 4.061 0.341 2
1 99 . 1 1 A 13 13 GLY CA C 13 44.276 45.319 -1.043 2
1 100 . 1 1 A 13 13 GLY N N 13 109.024 109.079 -0.055 2
1 101 . 1 1 A 14 14 LEU H H 14 7.501 7.799 -0.298 2
1 102 . 1 1 A 14 14 LEU HA H 14 3.967 4.495 -0.528 2
1 112 . 1 1 A 14 14 LEU CA C 14 56.343 55.781 0.562 2
1 113 . 1 1 A 14 14 LEU CB C 14 41.856 42.845 -0.989 2
1 117 . 1 1 A 14 14 LEU N N 14 123.870 123.340 0.531 2
1 118 . 1 1 A 15 15 LYS H H 15 7.812 8.470 -0.658 2
1 119 . 1 1 A 15 15 LYS HA H 15 5.942 5.284 0.658 2
1 127 . 1 1 A 15 15 LYS CA C 15 54.052 54.418 -0.366 2
1 128 . 1 1 A 15 15 LYS CB C 15 36.289 35.911 0.378 2
1 132 . 1 1 A 15 15 LYS N N 15 123.667 124.924 -1.257 2
1 133 . 1 1 A 16 16 TYR H H 16 9.289 9.005 0.284 2
1 134 . 1 1 A 16 16 TYR HA H 16 5.996 5.554 0.442 2
1 141 . 1 1 A 16 16 TYR CA C 16 55.784 56.253 -0.469 2
1 142 . 1 1 A 16 16 TYR CB C 16 43.297 42.084 1.213 2
1 143 . 1 1 A 16 16 TYR N N 16 117.890 117.697 0.193 2
1 144 . 1 1 A 17 17 GLU H H 17 8.728 8.994 -0.266 2
1 145 . 1 1 A 17 17 GLU HA H 17 4.860 4.734 0.126 2
1 150 . 1 1 A 17 17 GLU CA C 17 54.072 54.925 -0.853 2
1 151 . 1 1 A 17 17 GLU CB C 17 35.222 33.272 1.950 2
1 152 . 1 1 A 17 17 GLU N N 17 118.386 121.124 -2.738 2
1 153 . 1 1 A 18 18 ASP H H 18 9.596 8.880 0.716 2
1 154 . 1 1 A 18 18 ASP HA H 18 5.296 4.718 0.578 2
1 157 . 1 1 A 18 18 ASP CA C 18 55.695 54.770 0.925 2
1 158 . 1 1 A 18 18 ASP CB C 18 40.940 41.279 -0.339 2
1 159 . 1 1 A 18 18 ASP N N 18 127.059 126.520 0.538 2
1 160 . 1 1 A 19 19 LEU H H 19 8.609 9.065 -0.456 2
1 161 . 1 1 A 19 19 LEU HA H 19 4.275 4.576 -0.301 2
1 171 . 1 1 A 19 19 LEU CA C 19 56.923 55.910 1.013 2
1 172 . 1 1 A 19 19 LEU CB C 19 41.074 43.850 -2.776 2
1 176 . 1 1 A 19 19 LEU N N 19 128.620 124.961 3.659 2
1 177 . 1 1 A 20 20 THR H H 20 8.136 8.059 0.076 2
1 178 . 1 1 A 20 20 THR HA H 20 4.400 4.818 -0.418 2
1 183 . 1 1 A 20 20 THR CA C 20 61.835 61.386 0.449 2
1 184 . 1 1 A 20 20 THR CB C 20 72.411 71.682 0.729 2
1 186 . 1 1 A 20 20 THR N N 20 112.473 111.892 0.581 2
1 187 . 1 1 A 21 21 GLU H H 21 9.354 8.796 0.558 2
1 188 . 1 1 A 21 21 GLU HA H 21 4.370 4.289 0.081 2
1 193 . 1 1 A 21 21 GLU CA C 21 56.277 57.053 -0.776 2
1 194 . 1 1 A 21 21 GLU CB C 21 30.368 30.617 -0.249 2
1 196 . 1 1 A 21 21 GLU N N 21 130.043 126.881 3.162 2
1 197 . 1 1 A 22 22 GLY H H 22 9.071 8.464 0.607 2
1 198 . 1 1 A 22 22 GLY HA2 H 22 3.446 4.167 -0.721 2
1 199 . 1 1 A 22 22 GLY HA3 H 22 3.742 4.169 -0.427 2
1 200 . 1 1 A 22 22 GLY CA C 22 45.343 45.642 -0.299 2
1 201 . 1 1 A 22 22 GLY N N 22 113.930 109.855 4.075 2
1 202 . 1 1 A 23 23 SER H H 23 8.040 8.558 -0.518 2
1 203 . 1 1 A 23 23 SER HA H 23 4.671 4.447 0.224 2
1 206 . 1 1 A 23 23 SER CA C 23 57.488 58.328 -0.840 2
1 207 . 1 1 A 23 23 SER CB C 23 65.069 61.784 3.285 2
1 208 . 1 1 A 23 23 SER N N 23 111.747 117.751 -6.004 2
1 209 . 1 1 A 24 24 GLY H H 24 8.418 8.281 0.137 2
1 210 . 1 1 A 24 24 GLY HA2 H 24 3.693 4.094 -0.401 2
1 211 . 1 1 A 24 24 GLY HA3 H 24 4.328 4.095 0.233 2
1 212 . 1 1 A 24 24 GLY CA C 24 44.138 45.165 -1.027 2
1 213 . 1 1 A 24 24 GLY N N 24 111.391 110.770 0.621 2
1 214 . 1 1 A 25 25 ALA H H 25 8.342 8.323 0.019 2
1 215 . 1 1 A 25 25 ALA HA H 25 4.061 5.030 -0.969 2
1 219 . 1 1 A 25 25 ALA CA C 25 52.551 51.007 1.544 2
1 220 . 1 1 A 25 25 ALA CB C 25 19.752 22.164 -2.412 2
1 221 . 1 1 A 25 25 ALA N N 25 123.675 124.160 -0.485 2
1 222 . 1 1 A 26 26 GLU H H 26 8.194 8.555 -0.361 2
1 223 . 1 1 A 26 26 GLU HA H 26 4.498 4.651 -0.153 2
1 228 . 1 1 A 26 26 GLU CA C 26 55.174 56.517 -1.343 2
1 229 . 1 1 A 26 26 GLU CB C 26 31.906 30.295 1.611 2
1 231 . 1 1 A 26 26 GLU N N 26 119.186 122.814 -3.628 2
1 232 . 1 1 A 27 27 ALA H H 27 8.930 8.177 0.753 2
1 233 . 1 1 A 27 27 ALA HA H 27 4.527 4.274 0.253 2
1 237 . 1 1 A 27 27 ALA CA C 27 51.815 52.900 -1.085 2
1 238 . 1 1 A 27 27 ALA CB C 27 19.057 19.311 -0.254 2
1 239 . 1 1 A 27 27 ALA N N 27 127.513 127.318 0.195 2
1 240 . 1 1 A 28 28 ARG H H 28 8.348 8.795 -0.447 2
1 241 . 1 1 A 28 28 ARG HA H 28 4.563 4.856 -0.293 2
1 246 . 1 1 A 28 28 ARG CA C 28 53.584 54.025 -0.441 2
1 247 . 1 1 A 28 28 ARG CB C 28 33.571 33.686 -0.115 2
1 250 . 1 1 A 28 28 ARG N N 28 124.054 120.497 3.557 2
1 251 . 1 1 A 29 29 ALA H H 29 8.387 8.621 -0.234 2
1 252 . 1 1 A 29 29 ALA HA H 29 3.594 3.956 -0.362 2
1 256 . 1 1 A 29 29 ALA CA C 29 53.535 53.912 -0.377 2
1 257 . 1 1 A 29 29 ALA CB C 29 17.781 18.403 -0.622 2
1 258 . 1 1 A 29 29 ALA N N 29 122.289 126.580 -4.291 2
1 259 . 1 1 A 30 30 GLY H H 30 9.043 8.977 0.066 2
1 260 . 1 1 A 30 30 GLY HA2 H 30 3.451 4.000 -0.549 2
1 261 . 1 1 A 30 30 GLY HA3 H 30 4.378 4.002 0.376 2
1 262 . 1 1 A 30 30 GLY CA C 30 44.562 45.078 -0.516 2
1 263 . 1 1 A 30 30 GLY N N 30 110.956 111.099 -0.143 2
1 264 . 1 1 A 31 31 GLN H H 31 7.620 7.634 -0.014 2
1 265 . 1 1 A 31 31 GLN HA H 31 4.343 4.596 -0.253 2
1 272 . 1 1 A 31 31 GLN CA C 31 55.410 55.031 0.379 2
1 273 . 1 1 A 31 31 GLN CB C 31 30.151 30.371 -0.220 2
1 275 . 1 1 A 31 31 GLN N N 31 119.756 118.669 1.087 2
1 277 . 1 1 A 32 32 THR H H 32 8.793 8.525 0.268 2
1 278 . 1 1 A 32 32 THR HA H 32 4.463 4.862 -0.399 2
1 283 . 1 1 A 32 32 THR CA C 32 63.072 62.210 0.862 2
1 284 . 1 1 A 32 32 THR CB C 32 68.380 70.170 -1.790 2
1 286 . 1 1 A 32 32 THR N N 32 119.718 118.597 1.121 2
1 287 . 1 1 A 33 33 VAL H H 33 8.393 8.754 -0.361 2
1 288 . 1 1 A 33 33 VAL HA H 33 4.712 4.914 -0.202 2
1 296 . 1 1 A 33 33 VAL CA C 33 58.274 59.111 -0.837 2
1 297 . 1 1 A 33 33 VAL CB C 33 33.309 36.169 -2.860 2
1 300 . 1 1 A 33 33 VAL N N 33 120.513 119.488 1.025 2
1 301 . 1 1 A 34 34 SER H H 34 7.865 8.877 -1.012 2
1 302 . 1 1 A 34 34 SER HA H 34 5.262 5.411 -0.149 2
1 305 . 1 1 A 34 34 SER CA C 34 56.443 57.199 -0.756 2
1 306 . 1 1 A 34 34 SER CB C 34 64.882 64.521 0.361 2
1 307 . 1 1 A 34 34 SER N N 34 113.652 117.752 -4.100 2
1 308 . 1 1 A 35 35 VAL H H 35 9.531 9.377 0.154 2
1 309 . 1 1 A 35 35 VAL HA H 35 5.715 5.249 0.466 2
1 317 . 1 1 A 35 35 VAL CA C 35 58.226 58.947 -0.721 2
1 318 . 1 1 A 35 35 VAL CB C 35 35.412 36.067 -0.655 2
1 321 . 1 1 A 35 35 VAL N N 35 117.985 120.086 -2.101 2
1 322 . 1 1 A 36 36 HIS H H 36 8.812 8.878 -0.066 2
1 323 . 1 1 A 36 36 HIS HA H 36 5.784 5.594 0.190 2
1 328 . 1 1 A 36 36 HIS CA C 36 54.671 53.782 0.889 2
1 329 . 1 1 A 36 36 HIS CB C 36 35.786 32.446 3.340 2
1 330 . 1 1 A 36 36 HIS N N 36 118.227 119.899 -1.672 2
1 331 . 1 1 A 37 37 TYR H H 37 9.680 8.810 0.870 2
1 332 . 1 1 A 37 37 TYR HA H 37 6.201 5.889 0.312 2
1 339 . 1 1 A 37 37 TYR CA C 37 56.280 55.332 0.948 2
1 340 . 1 1 A 37 37 TYR CB C 37 43.791 41.341 2.450 2
1 341 . 1 1 A 37 37 TYR N N 37 116.878 119.794 -2.916 2
1 342 . 1 1 A 38 38 THR H H 38 8.478 8.709 -0.231 2
1 343 . 1 1 A 38 38 THR HA H 38 4.374 4.651 -0.277 2
1 348 . 1 1 A 38 38 THR CA C 38 62.692 59.997 2.695 2
1 349 . 1 1 A 38 38 THR CB C 38 71.675 70.453 1.222 2
1 351 . 1 1 A 38 38 THR N N 38 117.172 117.436 -0.264 2
1 352 . 1 1 A 39 39 GLY H H 39 8.332 8.552 -0.220 2
1 353 . 1 1 A 39 39 GLY HA2 H 39 1.943 2.564 -0.621 2
1 354 . 1 1 A 39 39 GLY HA3 H 39 4.624 3.136 1.488 2
1 355 . 1 1 A 39 39 GLY CA C 39 44.767 44.727 0.040 2
1 356 . 1 1 A 39 39 GLY N N 39 113.042 112.427 0.615 2
1 357 . 1 1 A 40 40 TRP H H 40 9.669 8.721 0.948 2
1 358 . 1 1 A 40 40 TRP HA H 40 5.499 5.397 0.102 2
1 366 . 1 1 A 40 40 TRP CA C 40 57.026 55.829 1.197 2
1 367 . 1 1 A 40 40 TRP CB C 40 34.177 32.814 1.363 2
1 368 . 1 1 A 40 40 TRP N N 40 123.550 125.649 -2.099 2
1 370 . 1 1 A 41 41 LEU H H 41 8.699 9.063 -0.365 2
1 371 . 1 1 A 41 41 LEU HA H 41 5.056 4.811 0.245 2
1 381 . 1 1 A 41 41 LEU CA C 41 54.040 53.738 0.302 2
1 382 . 1 1 A 41 41 LEU CB C 41 41.981 42.965 -0.984 2
1 386 . 1 1 A 41 41 LEU N N 41 119.318 123.390 -4.072 2
1 387 . 1 1 A 42 42 THR H H 42 9.418 8.831 0.587 2
1 388 . 1 1 A 42 42 THR HA H 42 3.962 4.069 -0.107 2
1 393 . 1 1 A 42 42 THR CA C 42 65.117 64.923 0.194 2
1 394 . 1 1 A 42 42 THR CB C 42 68.693 68.506 0.187 2
1 396 . 1 1 A 42 42 THR N N 42 112.465 116.518 -4.053 2
1 397 . 1 1 A 43 43 ASP H H 43 7.690 7.887 -0.197 2
1 398 . 1 1 A 43 43 ASP HA H 43 4.538 4.622 -0.083 2
1 401 . 1 1 A 43 43 ASP CA C 43 53.655 53.995 -0.340 2
1 402 . 1 1 A 43 43 ASP CB C 43 40.109 41.413 -1.304 2
1 403 . 1 1 A 43 43 ASP N N 43 118.952 120.088 -1.136 2
1 404 . 1 1 A 44 44 GLY H H 44 8.043 7.996 0.047 2
1 405 . 1 1 A 44 44 GLY HA2 H 44 3.521 3.916 -0.395 2
1 406 . 1 1 A 44 44 GLY HA3 H 44 4.318 3.930 0.388 2
1 407 . 1 1 A 44 44 GLY CA C 44 44.869 44.953 -0.084 2
1 408 . 1 1 A 44 44 GLY N N 44 107.790 106.620 1.170 2
1 409 . 1 1 A 45 45 GLN H H 45 8.355 7.846 0.509 2
1 410 . 1 1 A 45 45 GLN HA H 45 4.319 4.388 -0.069 2
1 417 . 1 1 A 45 45 GLN CA C 45 56.909 55.420 1.489 2
1 418 . 1 1 A 45 45 GLN CB C 45 29.837 29.829 0.008 2
1 420 . 1 1 A 45 45 GLN N N 45 121.541 120.195 1.347 2
1 422 . 1 1 A 46 46 LYS H H 46 8.915 8.564 0.351 2
1 423 . 1 1 A 46 46 LYS HA H 46 4.454 4.855 -0.401 2
1 432 . 1 1 A 46 46 LYS CA C 46 55.782 56.010 -0.228 2
1 433 . 1 1 A 46 46 LYS CB C 46 33.097 33.580 -0.483 2
1 437 . 1 1 A 46 46 LYS N N 46 129.310 125.184 4.126 2
1 438 . 1 1 A 47 47 PHE H H 47 8.440 8.832 -0.392 2
1 439 . 1 1 A 47 47 PHE HA H 47 5.103 4.981 0.122 2
1 447 . 1 1 A 47 47 PHE CA C 47 56.272 56.677 -0.405 2
1 448 . 1 1 A 47 47 PHE CB C 47 41.094 40.613 0.481 2
1 449 . 1 1 A 47 47 PHE N N 47 122.874 121.848 1.026 2
1 450 . 1 1 A 48 48 ASP H H 48 6.744 7.402 -0.658 2
1 451 . 1 1 A 48 48 ASP HA H 48 4.790 4.883 -0.093 2
1 454 . 1 1 A 48 48 ASP CA C 48 54.518 54.029 0.489 2
1 455 . 1 1 A 48 48 ASP CB C 48 43.929 44.087 -0.158 2
1 456 . 1 1 A 48 48 ASP N N 48 118.152 119.644 -1.492 2
1 457 . 1 1 A 49 49 SER H H 49 8.122 8.570 -0.448 2
1 458 . 1 1 A 49 49 SER HA H 49 4.608 4.941 -0.333 2
1 461 . 1 1 A 49 49 SER CA C 49 56.963 56.663 0.300 2
1 462 . 1 1 A 49 49 SER CB C 49 64.699 66.030 -1.331 2
1 463 . 1 1 A 49 49 SER N N 49 117.585 118.955 -1.370 2
1 464 . 1 1 A 50 50 SER H H 50 8.020 8.678 -0.658 2
1 465 . 1 1 A 50 50 SER HA H 50 4.045 4.064 -0.018 2
1 468 . 1 1 A 50 50 SER CA C 50 61.482 60.866 0.616 2
1 469 . 1 1 A 50 50 SER CB C 50 61.488 62.836 -1.348 2
1 470 . 1 1 A 50 50 SER N N 50 124.801 119.822 4.979 2
1 471 . 1 1 A 51 51 LYS H H 51 7.730 8.041 -0.311 2
1 472 . 1 1 A 51 51 LYS HA H 51 3.505 4.006 -0.501 2
1 481 . 1 1 A 51 51 LYS CA C 51 58.921 58.996 -0.075 2
1 482 . 1 1 A 51 51 LYS CB C 51 31.346 31.775 -0.429 2
1 486 . 1 1 A 51 51 LYS N N 51 124.103 121.051 3.052 2
1 487 . 1 1 A 52 52 ASP H H 52 7.324 8.042 -0.718 2
1 488 . 1 1 A 52 52 ASP HA H 52 4.284 4.364 -0.080 2
1 491 . 1 1 A 52 52 ASP CA C 52 56.524 57.165 -0.641 2
1 492 . 1 1 A 52 52 ASP CB C 52 40.201 41.152 -0.951 2
1 493 . 1 1 A 52 52 ASP N N 52 118.971 119.474 -0.503 2
1 494 . 1 1 A 53 53 ARG H H 53 6.923 7.722 -0.799 2
1 495 . 1 1 A 53 53 ARG HA H 53 4.461 4.403 0.058 2
1 502 . 1 1 A 53 53 ARG CA C 53 55.597 56.855 -1.258 2
1 503 . 1 1 A 53 53 ARG CB C 53 31.289 31.179 0.110 2
1 506 . 1 1 A 53 53 ARG N N 53 114.803 118.078 -3.275 2
1 507 . 1 1 A 54 54 ASN H H 54 7.827 7.978 -0.151 2
1 508 . 1 1 A 54 54 ASN HA H 54 4.352 4.376 -0.024 2
1 513 . 1 1 A 54 54 ASN CA C 54 54.339 54.441 -0.102 2
1 514 . 1 1 A 54 54 ASN CB C 54 37.849 36.984 0.865 2
1 515 . 1 1 A 54 54 ASN N N 54 117.421 116.948 0.473 2
1 517 . 1 1 A 55 55 ASP H H 55 7.580 7.893 -0.313 2
1 518 . 1 1 A 55 55 ASP HA H 55 5.360 5.099 0.261 2
1 521 . 1 1 A 55 55 ASP CA C 55 51.697 51.491 0.206 2
1 522 . 1 1 A 55 55 ASP CB C 55 43.377 43.849 -0.472 2
1 523 . 1 1 A 55 55 ASP N N 55 115.802 118.433 -2.631 2
1 524 . 1 1 A 56 56 PRO HA H 56 4.022 3.702 0.320 2
1 531 . 1 1 A 56 56 PRO CA C 56 63.115 62.338 0.777 2
1 532 . 1 1 A 56 56 PRO CB C 56 32.348 32.343 0.005 2
1 535 . 1 1 A 57 57 PHE H H 57 9.207 8.454 0.753 2
1 536 . 1 1 A 57 57 PHE HA H 57 4.874 4.758 0.116 2
1 544 . 1 1 A 57 57 PHE CA C 57 57.290 57.358 -0.068 2
1 545 . 1 1 A 57 57 PHE CB C 57 42.517 39.648 2.869 2
1 546 . 1 1 A 57 57 PHE N N 57 124.509 123.094 1.415 2
1 547 . 1 1 A 58 58 ALA H H 58 7.942 8.827 -0.885 2
1 548 . 1 1 A 58 58 ALA HA H 58 5.928 5.535 0.393 2
1 552 . 1 1 A 58 58 ALA CA C 58 49.705 50.354 -0.649 2
1 553 . 1 1 A 58 58 ALA CB C 58 21.621 21.606 0.015 2
1 554 . 1 1 A 58 58 ALA N N 58 130.661 130.007 0.654 2
1 555 . 1 1 A 59 59 PHE H H 59 8.455 8.663 -0.208 2
1 556 . 1 1 A 59 59 PHE HA H 59 4.660 5.039 -0.379 2
1 564 . 1 1 A 59 59 PHE CA C 59 55.610 55.959 -0.349 2
1 565 . 1 1 A 59 59 PHE CB C 59 40.857 40.650 0.207 2
1 566 . 1 1 A 59 59 PHE N N 59 114.967 117.214 -2.247 2
1 567 . 1 1 A 60 60 VAL H H 60 8.168 8.746 -0.578 2
1 568 . 1 1 A 60 60 VAL HA H 60 4.084 4.312 -0.228 2
1 576 . 1 1 A 60 60 VAL CA C 60 61.907 61.403 0.504 2
1 577 . 1 1 A 60 60 VAL CB C 60 31.564 32.832 -1.268 2
1 580 . 1 1 A 60 60 VAL N N 60 120.308 120.012 0.296 2
1 581 . 1 1 A 61 61 LEU H H 61 8.900 8.407 0.493 2
1 582 . 1 1 A 61 61 LEU HA H 61 4.248 3.924 0.324 2
1 592 . 1 1 A 61 61 LEU CA C 61 56.558 56.053 0.505 2
1 593 . 1 1 A 61 61 LEU CB C 61 41.736 41.932 -0.196 2
1 597 . 1 1 A 61 61 LEU N N 61 134.513 129.033 5.480 2
1 598 . 1 1 A 62 62 GLY H H 62 9.652 9.027 0.625 2
1 599 . 1 1 A 62 62 GLY HA2 H 62 3.558 3.961 -0.403 2
1 600 . 1 1 A 62 62 GLY HA3 H 62 4.154 3.990 0.164 2
1 601 . 1 1 A 62 62 GLY CA C 62 45.721 46.102 -0.382 2
1 602 . 1 1 A 62 62 GLY N N 62 119.352 114.623 4.729 2
1 603 . 1 1 A 63 63 GLY H H 63 8.338 8.046 0.292 2
1 604 . 1 1 A 63 63 GLY HA2 H 63 3.557 4.061 -0.504 2
1 605 . 1 1 A 63 63 GLY HA3 H 63 4.298 4.085 0.213 2
1 606 . 1 1 A 63 63 GLY CA C 63 45.442 46.082 -0.640 2
1 607 . 1 1 A 63 63 GLY N N 63 107.002 107.339 -0.337 2
1 608 . 1 1 A 64 64 GLY H H 64 9.301 8.296 1.005 2
1 609 . 1 1 A 64 64 GLY HA2 H 64 4.057 4.111 -0.054 2
1 610 . 1 1 A 64 64 GLY HA3 H 64 4.057 4.153 -0.096 2
1 611 . 1 1 A 64 64 GLY CA C 64 46.425 45.644 0.781 2
1 612 . 1 1 A 64 64 GLY N N 64 112.092 108.357 3.735 2
1 613 . 1 1 A 65 65 MET H H 65 9.574 8.303 1.271 2
1 614 . 1 1 A 65 65 MET HA H 65 4.546 4.517 0.029 2
1 619 . 1 1 A 65 65 MET CA C 65 55.641 55.447 0.194 2
1 620 . 1 1 A 65 65 MET CB C 65 33.268 32.952 0.316 2
1 622 . 1 1 A 65 65 MET N N 65 118.659 119.250 -0.591 2
1 623 . 1 1 A 66 66 VAL H H 66 6.867 7.784 -0.917 2
1 624 . 1 1 A 66 66 VAL HA H 66 4.454 4.447 0.007 2
1 632 . 1 1 A 66 66 VAL CA C 66 57.545 59.185 -1.640 2
1 633 . 1 1 A 66 66 VAL CB C 66 35.736 34.858 0.877 2
1 636 . 1 1 A 66 66 VAL N N 66 108.649 115.816 -7.167 2
1 637 . 1 1 A 67 67 ILE H H 67 7.158 7.840 -0.682 2
1 638 . 1 1 A 67 67 ILE HA H 67 3.894 4.227 -0.333 2
1 648 . 1 1 A 67 67 ILE CA C 67 62.065 60.930 1.135 2
1 649 . 1 1 A 67 67 ILE CB C 67 37.130 39.256 -2.126 2
1 653 . 1 1 A 67 67 ILE N N 67 111.614 117.382 -5.769 2
1 654 . 1 1 A 68 68 LYS H H 68 9.182 8.920 0.262 2
1 655 . 1 1 A 68 68 LYS HA H 68 4.241 3.950 0.291 2
1 664 . 1 1 A 68 68 LYS CA C 68 60.042 59.571 0.472 2
1 665 . 1 1 A 68 68 LYS CB C 68 33.366 32.245 1.120 2
1 669 . 1 1 A 68 68 LYS N N 68 125.685 123.402 2.283 2
1 670 . 1 1 A 69 69 GLY H H 69 9.653 8.311 1.342 2
1 671 . 1 1 A 69 69 GLY HA2 H 69 3.595 3.821 -0.226 2
1 672 . 1 1 A 69 69 GLY HA3 H 69 3.971 3.848 0.123 2
1 673 . 1 1 A 69 69 GLY CA C 69 47.597 47.379 0.218 2
1 674 . 1 1 A 69 69 GLY N N 69 102.438 106.994 -4.556 2
1 675 . 1 1 A 70 70 TRP H H 70 7.745 7.889 -0.144 2
1 676 . 1 1 A 70 70 TRP HA H 70 4.152 4.582 -0.430 2
1 684 . 1 1 A 70 70 TRP CA C 70 60.737 60.429 0.308 2
1 685 . 1 1 A 70 70 TRP CB C 70 29.185 28.242 0.943 2
1 686 . 1 1 A 70 70 TRP N N 70 120.118 121.443 -1.325 2
1 687 . 1 1 A 71 71 ASP H H 71 7.058 8.423 -1.365 2
1 688 . 1 1 A 71 71 ASP HA H 71 4.878 4.370 0.508 2
1 691 . 1 1 A 71 71 ASP CA C 71 57.165 57.651 -0.486 2
1 692 . 1 1 A 71 71 ASP CB C 71 40.749 41.281 -0.532 2
1 693 . 1 1 A 71 71 ASP N N 71 120.287 119.507 0.781 2
1 694 . 1 1 A 72 72 GLU H H 72 7.856 8.574 -0.718 2
1 695 . 1 1 A 72 72 GLU HA H 72 4.120 4.035 0.085 2
1 700 . 1 1 A 72 72 GLU CA C 72 58.236 59.319 -1.083 2
1 701 . 1 1 A 72 72 GLU CB C 72 30.409 29.241 1.168 2
1 703 . 1 1 A 72 72 GLU N N 72 114.126 119.142 -5.016 2
1 704 . 1 1 A 73 73 GLY H H 73 7.732 8.043 -0.311 2
1 705 . 1 1 A 73 73 GLY HA2 H 73 3.565 3.583 -0.018 2
1 706 . 1 1 A 73 73 GLY HA3 H 73 3.565 3.599 -0.034 2
1 707 . 1 1 A 73 73 GLY CA C 73 47.427 47.243 0.184 2
1 708 . 1 1 A 73 73 GLY N N 73 104.848 107.972 -3.124 2
1 709 . 1 1 A 74 74 VAL H H 74 8.138 8.593 -0.455 2
1 710 . 1 1 A 74 74 VAL HA H 74 3.630 3.816 -0.186 2
1 718 . 1 1 A 74 74 VAL CA C 74 63.679 65.363 -1.684 2
1 719 . 1 1 A 74 74 VAL CB C 74 31.206 31.589 -0.383 2
1 722 . 1 1 A 74 74 VAL N N 74 117.660 122.084 -4.424 2
1 723 . 1 1 A 75 75 GLN H H 75 6.431 8.159 -1.728 2
1 724 . 1 1 A 75 75 GLN HA H 75 3.598 4.223 -0.625 2
1 731 . 1 1 A 75 75 GLN CA C 75 58.343 55.951 2.392 2
1 732 . 1 1 A 75 75 GLN CB C 75 28.747 27.956 0.791 2
1 734 . 1 1 A 75 75 GLN N N 75 116.376 118.177 -1.801 2
1 736 . 1 1 A 76 76 GLY H H 76 8.577 7.653 0.924 2
1 737 . 1 1 A 76 76 GLY HA2 H 76 3.647 4.045 -0.398 2
1 738 . 1 1 A 76 76 GLY HA3 H 76 4.510 4.051 0.459 2
1 739 . 1 1 A 76 76 GLY CA C 76 45.092 45.552 -0.460 2
1 740 . 1 1 A 76 76 GLY N N 76 111.539 108.552 2.988 2
1 741 . 1 1 A 77 77 MET H H 77 7.609 7.632 -0.023 2
1 742 . 1 1 A 77 77 MET HA H 77 3.948 4.451 -0.503 2
1 747 . 1 1 A 77 77 MET CA C 77 58.260 56.002 2.258 2
1 748 . 1 1 A 77 77 MET CB C 77 34.641 33.346 1.295 2
1 750 . 1 1 A 77 77 MET N N 77 119.140 119.664 -0.524 2
1 751 . 1 1 A 78 78 LYS H H 78 8.348 8.779 -0.431 2
1 752 . 1 1 A 78 78 LYS HA H 78 5.015 5.082 -0.067 2
1 761 . 1 1 A 78 78 LYS CA C 78 54.136 54.287 -0.151 2
1 762 . 1 1 A 78 78 LYS CB C 78 34.944 35.603 -0.659 2
1 766 . 1 1 A 78 78 LYS N N 78 119.308 120.228 -0.920 2
1 767 . 1 1 A 79 79 VAL H H 79 8.622 8.846 -0.224 2
1 768 . 1 1 A 79 79 VAL HA H 79 3.160 3.483 -0.323 2
1 776 . 1 1 A 79 79 VAL CA C 79 66.585 65.486 1.099 2
1 777 . 1 1 A 79 79 VAL CB C 79 31.690 31.380 0.310 2
1 780 . 1 1 A 79 79 VAL N N 79 123.215 122.256 0.959 2
1 781 . 1 1 A 80 80 GLY H H 80 8.623 8.811 -0.188 2
1 782 . 1 1 A 80 80 GLY HA2 H 80 3.901 4.034 -0.133 2
1 783 . 1 1 A 80 80 GLY HA3 H 80 4.654 4.039 0.615 2
1 784 . 1 1 A 80 80 GLY CA C 80 44.457 45.134 -0.677 2
1 785 . 1 1 A 80 80 GLY N N 80 115.910 114.774 1.136 2
1 786 . 1 1 A 81 81 GLY H H 81 9.283 8.343 0.940 2
1 787 . 1 1 A 81 81 GLY HA2 H 81 3.574 3.982 -0.408 2
1 788 . 1 1 A 81 81 GLY HA3 H 81 3.916 3.986 -0.070 2
1 789 . 1 1 A 81 81 GLY CA C 81 45.310 45.078 0.232 2
1 790 . 1 1 A 81 81 GLY N N 81 111.030 108.159 2.871 2
1 791 . 1 1 A 82 82 VAL H H 82 8.403 8.805 -0.402 2
1 792 . 1 1 A 82 82 VAL HA H 82 5.141 5.049 0.092 2
1 800 . 1 1 A 82 82 VAL CA C 82 61.633 61.166 0.467 2
1 801 . 1 1 A 82 82 VAL CB C 82 34.572 34.293 0.279 2
1 804 . 1 1 A 82 82 VAL N N 82 119.626 124.769 -5.142 2
1 805 . 1 1 A 83 83 ARG H H 83 9.383 8.757 0.626 2
1 806 . 1 1 A 83 83 ARG HA H 83 5.354 4.994 0.360 2
1 813 . 1 1 A 83 83 ARG CA C 83 54.577 54.576 0.001 2
1 814 . 1 1 A 83 83 ARG CB C 83 35.933 34.302 1.631 2
1 817 . 1 1 A 83 83 ARG N N 83 130.545 125.239 5.306 2
1 818 . 1 1 A 84 84 ARG H H 84 9.618 8.711 0.907 2
1 819 . 1 1 A 84 84 ARG HA H 84 5.650 4.803 0.847 2
1 826 . 1 1 A 84 84 ARG CA C 84 54.383 55.449 -1.066 2
1 827 . 1 1 A 84 84 ARG CB C 84 32.969 31.605 1.364 2
1 830 . 1 1 A 84 84 ARG N N 84 127.552 122.139 5.413 2
1 831 . 1 1 A 85 85 LEU H H 85 10.121 9.244 0.877 2
1 832 . 1 1 A 85 85 LEU HA H 85 5.232 5.453 -0.221 2
1 842 . 1 1 A 85 85 LEU CA C 85 53.442 53.455 -0.013 2
1 843 . 1 1 A 85 85 LEU CB C 85 45.431 44.132 1.299 2
1 847 . 1 1 A 85 85 LEU N N 85 128.946 126.873 2.073 2
1 848 . 1 1 A 86 86 THR H H 86 9.594 9.089 0.505 2
1 849 . 1 1 A 86 86 THR HA H 86 5.081 4.873 0.208 2
1 854 . 1 1 A 86 86 THR CA C 86 63.525 62.458 1.067 2
1 855 . 1 1 A 86 86 THR CB C 86 68.690 69.421 -0.731 2
1 857 . 1 1 A 86 86 THR N N 86 121.842 120.211 1.631 2
1 858 . 1 1 A 87 87 ILE H H 87 10.109 9.053 1.056 2
1 859 . 1 1 A 87 87 ILE HA H 87 4.539 4.733 -0.194 2
1 869 . 1 1 A 87 87 ILE CA C 87 58.954 58.090 0.864 2
1 870 . 1 1 A 87 87 ILE CB C 87 40.704 38.665 2.039 2
1 874 . 1 1 A 87 87 ILE N N 87 129.512 128.422 1.090 2
1 875 . 1 1 A 88 88 PRO HA H 88 4.981 4.707 0.275 2
1 882 . 1 1 A 88 88 PRO CA C 88 61.675 61.826 -0.151 2
1 883 . 1 1 A 88 88 PRO CB C 88 30.917 32.619 -1.702 2
1 886 . 1 1 A 89 89 PRO HA H 89 4.439 4.293 0.146 2
1 893 . 1 1 A 89 89 PRO CA C 89 65.384 65.313 0.071 2
1 894 . 1 1 A 89 89 PRO CB C 89 30.913 32.086 -1.173 2
1 897 . 1 1 A 90 90 GLN H H 90 9.574 8.898 0.676 2
1 898 . 1 1 A 90 90 GLN HA H 90 4.296 4.187 0.109 2
1 905 . 1 1 A 90 90 GLN CA C 90 58.441 57.495 0.946 2
1 906 . 1 1 A 90 90 GLN CB C 90 26.402 27.381 -0.979 2
1 908 . 1 1 A 90 90 GLN N N 90 118.710 115.516 3.194 2
1 910 . 1 1 A 91 91 LEU H H 91 7.976 7.388 0.588 2
1 911 . 1 1 A 91 91 LEU HA H 91 4.636 4.617 0.019 2
1 921 . 1 1 A 91 91 LEU CA C 91 53.625 54.318 -0.693 2
1 922 . 1 1 A 91 91 LEU CB C 91 42.819 43.396 -0.577 2
1 926 . 1 1 A 91 91 LEU N N 91 119.302 118.683 0.619 2
1 927 . 1 1 A 92 92 GLY H H 92 7.717 7.912 -0.195 2
1 928 . 1 1 A 92 92 GLY HA2 H 92 3.258 4.087 -0.829 2
1 929 . 1 1 A 92 92 GLY HA3 H 92 4.121 4.144 -0.023 2
1 930 . 1 1 A 92 92 GLY CA C 92 45.183 45.705 -0.522 2
1 931 . 1 1 A 92 92 GLY N N 92 110.415 107.638 2.777 2
1 932 . 1 1 A 93 93 TYR H H 93 9.662 8.559 1.103 2
1 933 . 1 1 A 93 93 TYR HA H 93 4.513 4.273 0.240 2
1 940 . 1 1 A 93 93 TYR CA C 93 58.603 60.967 -2.364 2
1 941 . 1 1 A 93 93 TYR CB C 93 37.762 38.924 -1.162 2
1 942 . 1 1 A 93 93 TYR N N 93 126.998 122.441 4.557 2
1 943 . 1 1 A 94 94 GLY H H 94 8.467 7.940 0.527 2
1 944 . 1 1 A 94 94 GLY HA2 H 94 3.633 4.110 -0.477 2
1 945 . 1 1 A 94 94 GLY HA3 H 94 3.888 4.120 -0.232 2
1 946 . 1 1 A 94 94 GLY CA C 94 47.023 43.758 3.265 2
1 947 . 1 1 A 94 94 GLY N N 94 108.486 105.811 2.675 2
1 948 . 1 1 A 95 95 ALA H H 95 7.636 8.582 -0.946 2
1 949 . 1 1 A 95 95 ALA HA H 95 4.151 4.330 -0.179 2
1 953 . 1 1 A 95 95 ALA CA C 95 53.326 53.074 0.252 2
1 954 . 1 1 A 95 95 ALA CB C 95 18.831 18.827 0.004 2
1 955 . 1 1 A 96 96 ARG H H 96 7.910 7.864 0.046 2
1 956 . 1 1 A 96 96 ARG HA H 96 4.227 4.192 0.035 2
1 963 . 1 1 A 96 96 ARG CA C 96 57.514 57.379 0.135 2
1 964 . 1 1 A 96 96 ARG CB C 96 31.353 30.771 0.582 2
1 967 . 1 1 A 96 96 ARG N N 96 115.669 117.474 -1.805 2
1 968 . 1 1 A 97 97 GLY H H 97 6.917 7.888 -0.971 2
1 969 . 1 1 A 97 97 GLY HA2 H 97 3.272 4.016 -0.744 2
1 970 . 1 1 A 97 97 GLY HA3 H 97 3.908 4.049 -0.141 2
1 971 . 1 1 A 97 97 GLY CA C 97 44.693 44.866 -0.173 2
1 972 . 1 1 A 97 97 GLY N N 97 103.795 107.359 -3.564 2
1 973 . 1 1 A 98 98 ALA H H 98 8.187 8.439 -0.252 2
1 974 . 1 1 A 98 98 ALA HA H 98 4.287 4.535 -0.248 2
1 978 . 1 1 A 98 98 ALA CA C 98 52.717 52.356 0.361 2
1 979 . 1 1 A 98 98 ALA CB C 98 20.563 20.590 -0.027 2
1 980 . 1 1 A 98 98 ALA N N 98 118.770 120.907 -2.137 2
1 981 . 1 1 A 99 99 GLY H H 99 8.904 7.875 1.028 2
1 982 . 1 1 A 99 99 GLY HA2 H 99 3.670 4.098 -0.428 2
1 983 . 1 1 A 99 99 GLY HA3 H 99 3.854 4.102 -0.248 2
1 984 . 1 1 A 99 99 GLY CA C 99 46.848 45.098 1.750 2
1 985 . 1 1 A 99 99 GLY N N 99 109.717 106.082 3.635 2
1 986 . 1 1 A 100 100 GLY H H 100 8.759 8.872 -0.113 2
1 987 . 1 1 A 100 100 GLY HA2 H 100 3.719 3.825 -0.106 2
1 988 . 1 1 A 100 100 GLY HA3 H 100 4.041 3.827 0.214 2
1 989 . 1 1 A 100 100 GLY CA C 100 45.655 47.091 -1.436 2
1 990 . 1 1 A 100 100 GLY N N 100 110.895 109.386 1.509 2
1 991 . 1 1 A 101 101 VAL H H 101 7.631 7.628 0.004 2
1 992 . 1 1 A 101 101 VAL HA H 101 4.226 4.173 0.053 2
1 1000 . 1 1 A 101 101 VAL CA C 101 62.518 62.197 0.321 2
1 1001 . 1 1 A 101 101 VAL CB C 101 34.660 31.828 2.832 2
1 1004 . 1 1 A 101 101 VAL N N 101 115.165 117.796 -2.631 2
1 1005 . 1 1 A 102 102 ILE H H 102 7.686 7.660 0.026 2
1 1006 . 1 1 A 102 102 ILE HA H 102 4.351 4.485 -0.134 2
1 1016 . 1 1 A 102 102 ILE CA C 102 57.498 58.245 -0.746 2
1 1017 . 1 1 A 102 102 ILE CB C 102 38.189 39.001 -0.812 2
1 1021 . 1 1 A 102 102 ILE N N 102 120.043 123.307 -3.264 2
1 1022 . 1 1 A 103 103 PRO HA H 103 4.727 4.710 0.018 2
1 1029 . 1 1 A 103 103 PRO CA C 103 61.614 61.710 -0.096 2
1 1030 . 1 1 A 103 103 PRO CB C 103 31.055 32.583 -1.528 2
1 1033 . 1 1 A 104 104 PRO HA H 104 3.778 4.440 -0.662 2
1 1040 . 1 1 A 104 104 PRO CA C 104 63.599 64.672 -1.073 2
1 1041 . 1 1 A 104 104 PRO CB C 104 33.183 31.704 1.479 2
1 1044 . 1 1 A 105 105 ASN H H 105 8.581 8.391 0.190 2
1 1045 . 1 1 A 105 105 ASN HA H 105 3.928 4.929 -1.001 2
1 1050 . 1 1 A 105 105 ASN CA C 105 54.447 52.507 1.940 2
1 1051 . 1 1 A 105 105 ASN CB C 105 37.280 38.684 -1.403 2
1 1052 . 1 1 A 105 105 ASN N N 105 117.269 115.180 2.089 2
1 1054 . 1 1 A 106 106 ALA H H 106 7.637 7.184 0.453 2
1 1055 . 1 1 A 106 106 ALA HA H 106 4.456 4.347 0.109 2
1 1059 . 1 1 A 106 106 ALA CA C 106 52.493 52.350 0.143 2
1 1060 . 1 1 A 106 106 ALA CB C 106 20.938 19.709 1.229 2
1 1061 . 1 1 A 106 106 ALA N N 106 121.257 122.383 -1.126 2
1 1062 . 1 1 A 107 107 THR H H 107 8.492 8.546 -0.053 2
1 1063 . 1 1 A 107 107 THR HA H 107 4.781 5.019 -0.238 2
1 1068 . 1 1 A 107 107 THR CA C 107 63.319 61.764 1.555 2
1 1069 . 1 1 A 107 107 THR CB C 107 69.430 71.161 -1.731 2
1 1071 . 1 1 A 107 107 THR N N 107 121.742 116.903 4.839 2
1 1072 . 1 1 A 108 108 LEU H H 108 8.900 8.789 0.111 2
1 1073 . 1 1 A 108 108 LEU HA H 108 5.132 5.179 -0.047 2
1 1083 . 1 1 A 108 108 LEU CA C 108 52.950 53.597 -0.647 2
1 1084 . 1 1 A 108 108 LEU CB C 108 46.730 44.733 1.997 2
1 1088 . 1 1 A 108 108 LEU N N 108 125.279 125.360 -0.081 2
1 1089 . 1 1 A 109 109 VAL H H 109 8.933 8.881 0.052 2
1 1090 . 1 1 A 109 109 VAL HA H 109 5.532 4.898 0.634 2
1 1098 . 1 1 A 109 109 VAL CA C 109 60.793 61.296 -0.503 2
1 1099 . 1 1 A 109 109 VAL CB C 109 34.138 33.375 0.763 2
1 1102 . 1 1 A 109 109 VAL N N 109 122.496 124.421 -1.925 2
1 1103 . 1 1 A 110 110 PHE H H 110 9.737 9.097 0.640 2
1 1104 . 1 1 A 110 110 PHE HA H 110 6.457 5.174 1.283 2
1 1112 . 1 1 A 110 110 PHE CA C 110 55.265 56.065 -0.800 2
1 1113 . 1 1 A 110 110 PHE CB C 110 44.818 43.007 1.811 2
1 1114 . 1 1 A 110 110 PHE N N 110 121.114 124.053 -2.939 2
1 1115 . 1 1 A 111 111 GLU H H 111 9.223 8.545 0.678 2
1 1116 . 1 1 A 111 111 GLU HA H 111 5.202 4.587 0.615 2
1 1121 . 1 1 A 111 111 GLU CA C 111 56.709 55.236 1.473 2
1 1122 . 1 1 A 111 111 GLU CB C 111 32.338 30.676 1.662 2
1 1124 . 1 1 A 111 111 GLU N N 111 122.210 123.411 -1.201 2
1 1125 . 1 1 A 112 112 VAL H H 112 9.269 8.655 0.614 2
1 1126 . 1 1 A 112 112 VAL HA H 112 4.796 4.774 0.022 2
1 1134 . 1 1 A 112 112 VAL CA C 112 61.127 61.336 -0.209 2
1 1135 . 1 1 A 112 112 VAL CB C 112 34.634 33.301 1.333 2
1 1136 . 1 1 A 112 112 VAL N N 112 126.195 126.659 -0.464 2
1 1137 . 1 1 A 113 113 GLU H H 113 9.545 9.059 0.486 2
1 1138 . 1 1 A 113 113 GLU HA H 113 5.483 5.220 0.263 2
1 1143 . 1 1 A 113 113 GLU CA C 113 53.159 54.910 -1.751 2
1 1144 . 1 1 A 113 113 GLU CB C 113 32.657 32.166 0.491 2
1 1146 . 1 1 A 113 113 GLU N N 113 128.111 126.135 1.976 2
1 1147 . 1 1 A 114 114 LEU H H 114 8.261 8.694 -0.433 2
1 1148 . 1 1 A 114 114 LEU HA H 114 4.634 4.449 0.185 2
1 1158 . 1 1 A 114 114 LEU CA C 114 55.217 55.779 -0.562 2
1 1159 . 1 1 A 114 114 LEU CB C 114 41.826 42.547 -0.721 2
1 1163 . 1 1 A 114 114 LEU N N 114 126.273 127.728 -1.455 2
1 1164 . 1 1 A 115 115 LEU H H 115 9.258 8.960 0.298 2
1 1165 . 1 1 A 115 115 LEU HA H 115 4.453 4.422 0.031 2
1 1175 . 1 1 A 115 115 LEU CA C 115 55.791 56.221 -0.430 2
1 1176 . 1 1 A 115 115 LEU CB C 115 42.897 42.646 0.251 2
1 1180 . 1 1 A 115 115 LEU N N 115 130.031 128.105 1.926 2
1 1181 . 1 1 A 116 116 ASP H H 116 7.748 7.310 0.438 2
1 1182 . 1 1 A 116 116 ASP HA H 116 4.672 4.922 -0.250 2
1 1185 . 1 1 A 116 116 ASP CA C 116 54.385 53.668 0.717 2
1 1186 . 1 1 A 116 116 ASP CB C 116 43.828 44.229 -0.401 2
1 1187 . 1 1 A 116 116 ASP N N 116 115.338 113.934 1.404 2
stop_
save_