data_16264_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16264
_Entry.PDB_ID 2KHP
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 PRO HA H 2 4.444 4.443 0.001 1
1 8 . 1 1 1 A 2 2 PRO CA C 2 63.468 63.360 0.108 1
1 9 . 1 1 1 A 2 2 PRO CB C 2 32.153 30.168 1.985 1
1 12 . 1 1 1 A 3 3 GLY H H 3 8.672 8.317 0.355 1
1 13 . 1 1 1 A 3 3 GLY HA2 H 3 4.759 4.147 0.612 1
1 14 . 1 1 1 A 3 3 GLY HA3 H 3 4.759 4.147 0.612 1
1 15 . 1 1 1 A 3 3 GLY CA C 3 45.323 45.673 -0.350 1
1 16 . 1 1 1 A 3 3 GLY N N 3 110.465 113.660 -3.195 1
1 17 . 1 1 1 A 4 4 SER H H 4 8.201 8.404 -0.203 1
1 18 . 1 1 1 A 4 4 SER HA H 4 4.454 4.679 -0.225 1
1 21 . 1 1 1 A 4 4 SER CA C 4 58.370 57.580 0.790 1
1 22 . 1 1 1 A 4 4 SER CB C 4 64.049 61.426 2.623 1
1 23 . 1 1 1 A 4 4 SER N N 4 115.747 116.126 -0.379 1
1 24 . 1 1 1 A 5 5 MET H H 5 8.315 8.055 0.260 1
1 25 . 1 1 1 A 5 5 MET HA H 5 4.675 4.991 -0.316 1
1 30 . 1 1 1 A 5 5 MET CA C 5 55.466 54.420 1.046 1
1 31 . 1 1 1 A 5 5 MET CB C 5 34.462 35.621 -1.159 1
1 33 . 1 1 1 A 5 5 MET N N 5 121.679 124.150 -2.471 1
1 34 . 1 1 1 A 6 6 VAL H H 6 8.169 8.734 -0.565 1
1 35 . 1 1 1 A 6 6 VAL HA H 6 4.141 4.820 -0.679 1
1 43 . 1 1 1 A 6 6 VAL CA C 6 61.395 58.799 2.596 1
1 44 . 1 1 1 A 6 6 VAL CB C 6 32.669 35.513 -2.844 1
1 47 . 1 1 1 A 6 6 VAL N N 6 118.330 117.618 0.712 1
1 48 . 1 1 1 A 7 7 ASP H H 7 8.335 8.694 -0.359 1
1 49 . 1 1 1 A 7 7 ASP HA H 7 4.526 4.778 -0.252 1
1 52 . 1 1 1 A 7 7 ASP CA C 7 55.023 54.875 0.148 1
1 53 . 1 1 1 A 7 7 ASP CB C 7 41.455 42.003 -0.548 1
1 54 . 1 1 1 A 7 7 ASP N N 7 122.032 123.418 -1.386 1
1 55 . 1 1 1 A 8 8 VAL H H 8 8.662 8.814 -0.152 1
1 56 . 1 1 1 A 8 8 VAL HA H 8 4.947 5.105 -0.158 1
1 64 . 1 1 1 A 8 8 VAL CA C 8 61.415 61.109 0.306 1
1 65 . 1 1 1 A 8 8 VAL CB C 8 33.703 34.492 -0.789 1
1 68 . 1 1 1 A 8 8 VAL N N 8 124.216 126.382 -2.166 1
1 69 . 1 1 1 A 9 9 ILE H H 9 9.311 9.173 0.138 1
1 70 . 1 1 1 A 9 9 ILE HA H 9 4.963 5.006 -0.043 1
1 80 . 1 1 1 A 9 9 ILE CA C 9 59.648 59.625 0.023 1
1 81 . 1 1 1 A 9 9 ILE CB C 9 41.374 42.297 -0.923 1
1 85 . 1 1 1 A 9 9 ILE N N 9 129.869 126.465 3.404 1
1 86 . 1 1 1 A 10 10 ILE H H 10 8.720 9.254 -0.534 1
1 87 . 1 1 1 A 10 10 ILE HA H 10 5.442 5.294 0.148 1
1 97 . 1 1 1 A 10 10 ILE CA C 10 58.153 58.291 -0.138 1
1 98 . 1 1 1 A 10 10 ILE CB C 10 41.947 41.437 0.510 1
1 102 . 1 1 1 A 10 10 ILE N N 10 123.598 127.312 -3.714 1
1 103 . 1 1 1 A 11 11 TYR H H 11 9.340 8.743 0.597 1
1 104 . 1 1 1 A 11 11 TYR HA H 11 5.667 5.673 -0.006 1
1 111 . 1 1 1 A 11 11 TYR CA C 11 57.300 56.281 1.019 1
1 112 . 1 1 1 A 11 11 TYR CB C 11 40.550 40.557 -0.007 1
1 113 . 1 1 1 A 11 11 TYR N N 11 128.888 127.698 1.190 1
1 114 . 1 1 1 A 12 12 THR H H 12 9.374 8.912 0.462 1
1 115 . 1 1 1 A 12 12 THR HA H 12 5.277 5.168 0.109 1
1 120 . 1 1 1 A 12 12 THR CA C 12 59.567 59.524 0.043 1
1 121 . 1 1 1 A 12 12 THR CB C 12 72.183 72.473 -0.290 1
1 123 . 1 1 1 A 12 12 THR N N 12 112.083 113.701 -1.618 1
1 124 . 1 1 1 A 13 13 ARG H H 13 7.379 8.768 -1.389 1
1 125 . 1 1 1 A 13 13 ARG HA H 13 4.779 4.894 -0.115 1
1 132 . 1 1 1 A 13 13 ARG CA C 13 52.961 53.513 -0.552 1
1 133 . 1 1 1 A 13 13 ARG CB C 13 31.374 33.665 -2.291 1
1 136 . 1 1 1 A 13 13 ARG N N 13 113.131 119.389 -6.258 1
1 137 . 1 1 1 A 14 14 PRO HA H 14 4.276 4.269 0.007 1
1 144 . 1 1 1 A 14 14 PRO CA C 14 63.498 63.729 -0.231 1
1 145 . 1 1 1 A 14 14 PRO CB C 14 32.015 31.277 0.738 1
1 148 . 1 1 1 A 15 15 GLY H H 15 8.672 8.816 -0.144 1
1 149 . 1 1 1 A 15 15 GLY HA2 H 15 3.946 3.902 0.044 1
1 150 . 1 1 1 A 15 15 GLY HA3 H 15 3.946 3.908 0.038 1
1 151 . 1 1 1 A 15 15 GLY N N 15 110.274 112.348 -2.074 1
1 152 . 1 1 1 A 16 16 CYS H H 16 6.985 7.726 -0.741 1
1 153 . 1 1 1 A 16 16 CYS HA H 16 4.769 4.626 0.143 1
1 156 . 1 1 1 A 16 16 CYS CA C 16 56.315 55.666 0.649 1
1 157 . 1 1 1 A 16 16 CYS CB C 16 31.724 29.306 2.418 1
1 158 . 1 1 1 A 16 16 CYS N N 16 124.357 119.397 4.960 1
1 159 . 1 1 1 A 17 17 PRO HA H 17 4.417 4.273 0.144 1
1 166 . 1 1 1 A 17 17 PRO CA C 17 64.516 65.372 -0.856 1
1 167 . 1 1 1 A 17 17 PRO CB C 17 32.205 31.601 0.604 1
1 170 . 1 1 1 A 18 18 TYR H H 18 9.273 7.303 1.970 1
1 171 . 1 1 1 A 18 18 TYR HA H 18 4.375 4.214 0.161 1
1 178 . 1 1 1 A 18 18 TYR CA C 18 61.227 61.386 -0.159 1
1 179 . 1 1 1 A 18 18 TYR CB C 18 38.025 37.431 0.594 1
1 180 . 1 1 1 A 18 18 TYR N N 18 127.619 117.603 10.016 1
1 181 . 1 1 1 A 19 19 CYS H H 19 9.854 8.141 1.713 1
1 182 . 1 1 1 A 19 19 CYS HA H 19 3.870 4.088 -0.218 1
1 185 . 1 1 1 A 19 19 CYS CA C 19 64.810 63.245 1.565 1
1 186 . 1 1 1 A 19 19 CYS CB C 19 29.498 27.436 2.062 1
1 187 . 1 1 1 A 19 19 CYS N N 19 128.016 118.787 9.229 1
1 188 . 1 1 1 A 20 20 ALA H H 20 7.948 7.993 -0.045 1
1 189 . 1 1 1 A 20 20 ALA HA H 20 3.995 3.993 0.002 1
1 193 . 1 1 1 A 20 20 ALA CA C 20 55.804 55.402 0.402 1
1 194 . 1 1 1 A 20 20 ALA CB C 20 18.201 18.446 -0.245 1
1 195 . 1 1 1 A 20 20 ALA N N 20 121.373 122.478 -1.105 1
1 196 . 1 1 1 A 21 21 ARG H H 21 8.064 7.985 0.079 1
1 197 . 1 1 1 A 21 21 ARG HA H 21 4.159 4.095 0.064 1
1 204 . 1 1 1 A 21 21 ARG CA C 21 59.500 59.673 -0.173 1
1 205 . 1 1 1 A 21 21 ARG CB C 21 30.535 30.294 0.241 1
1 208 . 1 1 1 A 21 21 ARG N N 21 119.886 117.811 2.075 1
1 209 . 1 1 1 A 22 22 ALA H H 22 8.342 7.745 0.597 1
1 210 . 1 1 1 A 22 22 ALA HA H 22 4.174 4.182 -0.008 1
1 214 . 1 1 1 A 22 22 ALA CA C 22 55.658 55.440 0.218 1
1 215 . 1 1 1 A 22 22 ALA CB C 22 19.485 18.446 1.039 1
1 216 . 1 1 1 A 22 22 ALA N N 22 125.852 121.847 4.005 1
1 217 . 1 1 1 A 23 23 LYS H H 23 7.968 8.155 -0.187 1
1 218 . 1 1 1 A 23 23 LYS HA H 23 3.243 3.801 -0.558 1
1 227 . 1 1 1 A 23 23 LYS CA C 23 60.699 59.321 1.378 1
1 228 . 1 1 1 A 23 23 LYS CB C 23 31.640 32.348 -0.708 1
1 232 . 1 1 1 A 23 23 LYS N N 23 116.539 117.083 -0.544 1
1 233 . 1 1 1 A 24 24 ALA H H 24 8.027 8.026 0.001 1
1 234 . 1 1 1 A 24 24 ALA HA H 24 4.152 4.195 -0.043 1
1 238 . 1 1 1 A 24 24 ALA CA C 24 55.067 55.000 0.067 1
1 239 . 1 1 1 A 24 24 ALA CB C 24 18.039 18.082 -0.043 1
1 240 . 1 1 1 A 24 24 ALA N N 24 120.099 122.323 -2.224 1
1 241 . 1 1 1 A 25 25 LEU H H 25 7.184 8.380 -1.196 1
1 242 . 1 1 1 A 25 25 LEU HA H 25 4.089 4.134 -0.045 1
1 252 . 1 1 1 A 25 25 LEU CA C 25 57.761 57.837 -0.076 1
1 253 . 1 1 1 A 25 25 LEU CB C 25 40.444 41.633 -1.189 1
1 257 . 1 1 1 A 25 25 LEU N N 25 119.676 119.305 0.371 1
1 258 . 1 1 1 A 26 26 LEU H H 26 7.477 8.199 -0.722 1
1 259 . 1 1 1 A 26 26 LEU HA H 26 3.701 4.230 -0.529 1
1 269 . 1 1 1 A 26 26 LEU CA C 26 58.523 57.874 0.649 1
1 270 . 1 1 1 A 26 26 LEU CB C 26 41.105 40.429 0.676 1
1 274 . 1 1 1 A 26 26 LEU N N 26 117.225 118.424 -1.199 1
1 275 . 1 1 1 A 27 27 ALA H H 27 8.657 8.139 0.518 1
1 276 . 1 1 1 A 27 27 ALA HA H 27 4.368 4.147 0.221 1
1 280 . 1 1 1 A 27 27 ALA CA C 27 55.066 55.026 0.040 1
1 281 . 1 1 1 A 27 27 ALA CB C 27 18.137 18.173 -0.036 1
1 282 . 1 1 1 A 27 27 ALA N N 27 119.692 122.333 -2.641 1
1 283 . 1 1 1 A 28 28 ARG H H 28 8.048 8.092 -0.044 1
1 284 . 1 1 1 A 28 28 ARG HA H 28 4.110 4.062 0.048 1
1 291 . 1 1 1 A 28 28 ARG CA C 28 59.249 59.342 -0.093 1
1 292 . 1 1 1 A 28 28 ARG CB C 28 29.962 29.822 0.140 1
1 295 . 1 1 1 A 28 28 ARG N N 28 121.433 118.815 2.618 1
1 296 . 1 1 1 A 29 29 LYS H H 29 7.660 7.486 0.174 1
1 297 . 1 1 1 A 29 29 LYS HA H 29 4.192 4.243 -0.051 1
1 306 . 1 1 1 A 29 29 LYS CA C 29 54.864 55.910 -1.046 1
1 307 . 1 1 1 A 29 29 LYS CB C 29 31.476 32.104 -0.628 1
1 311 . 1 1 1 A 29 29 LYS N N 29 115.942 116.344 -0.402 1
1 312 . 1 1 1 A 30 30 GLY H H 30 7.919 7.872 0.047 1
1 313 . 1 1 1 A 30 30 GLY HA2 H 30 3.734 3.986 -0.252 1
1 314 . 1 1 1 A 30 30 GLY HA3 H 30 4.013 3.991 0.022 1
1 315 . 1 1 1 A 30 30 GLY CA C 30 45.497 45.490 0.007 1
1 316 . 1 1 1 A 30 30 GLY N N 30 107.837 109.590 -1.753 1
1 317 . 1 1 1 A 31 31 ALA H H 31 7.830 7.967 -0.137 1
1 318 . 1 1 1 A 31 31 ALA HA H 31 4.446 4.354 0.092 1
1 322 . 1 1 1 A 31 31 ALA CA C 31 51.562 51.664 -0.102 1
1 323 . 1 1 1 A 31 31 ALA CB C 31 19.964 19.884 0.080 1
1 324 . 1 1 1 A 31 31 ALA N N 31 122.333 123.940 -1.607 1
1 325 . 1 1 1 A 32 32 GLU H H 32 8.322 8.508 -0.186 1
1 326 . 1 1 1 A 32 32 GLU HA H 32 4.173 4.280 -0.107 1
1 331 . 1 1 1 A 32 32 GLU CA C 32 55.621 56.292 -0.671 1
1 332 . 1 1 1 A 32 32 GLU CB C 32 29.734 29.978 -0.244 1
1 334 . 1 1 1 A 32 32 GLU N N 32 124.383 123.855 0.528 1
1 335 . 1 1 1 A 33 33 PHE H H 33 7.623 8.564 -0.941 1
1 336 . 1 1 1 A 33 33 PHE HA H 33 5.151 5.208 -0.057 1
1 344 . 1 1 1 A 33 33 PHE CA C 33 55.106 55.893 -0.787 1
1 345 . 1 1 1 A 33 33 PHE CB C 33 41.937 41.956 -0.019 1
1 346 . 1 1 1 A 33 33 PHE N N 33 116.953 117.462 -0.509 1
1 347 . 1 1 1 A 34 34 ASN H H 34 8.938 8.803 0.135 1
1 348 . 1 1 1 A 34 34 ASN HA H 34 4.897 4.980 -0.083 1
1 353 . 1 1 1 A 34 34 ASN CA C 34 52.081 53.121 -1.040 1
1 354 . 1 1 1 A 34 34 ASN CB C 34 39.784 39.439 0.345 1
1 355 . 1 1 1 A 34 34 ASN N N 34 120.410 120.623 -0.213 1
1 357 . 1 1 1 A 35 35 GLU H H 35 8.764 8.948 -0.184 1
1 358 . 1 1 1 A 35 35 GLU HA H 35 5.135 4.908 0.227 1
1 363 . 1 1 1 A 35 35 GLU CA C 35 54.519 55.944 -1.425 1
1 364 . 1 1 1 A 35 35 GLU CB C 35 31.306 30.714 0.592 1
1 366 . 1 1 1 A 35 35 GLU N N 35 126.769 127.477 -0.708 1
1 367 . 1 1 1 A 36 36 ILE H H 36 8.975 8.671 0.304 1
1 368 . 1 1 1 A 36 36 ILE HA H 36 4.108 4.671 -0.563 1
1 378 . 1 1 1 A 36 36 ILE CA C 36 60.156 59.031 1.125 1
1 379 . 1 1 1 A 36 36 ILE CB C 36 40.382 41.508 -1.126 1
1 383 . 1 1 1 A 36 36 ILE N N 36 130.393 127.494 2.899 1
1 384 . 1 1 1 A 37 37 ASP H H 37 8.494 8.712 -0.218 1
1 385 . 1 1 1 A 37 37 ASP HA H 37 4.965 4.969 -0.004 1
1 388 . 1 1 1 A 37 37 ASP CA C 37 52.537 53.384 -0.847 1
1 389 . 1 1 1 A 37 37 ASP CB C 37 39.350 41.939 -2.589 1
1 390 . 1 1 1 A 37 37 ASP N N 37 125.910 125.256 0.654 1
1 391 . 1 1 1 A 38 38 ALA H H 38 8.764 8.216 0.548 1
1 392 . 1 1 1 A 38 38 ALA HA H 38 4.621 4.337 0.284 1
1 396 . 1 1 1 A 38 38 ALA CA C 38 51.729 52.969 -1.240 1
1 397 . 1 1 1 A 38 38 ALA CB C 38 20.588 20.481 0.107 1
1 398 . 1 1 1 A 38 38 ALA N N 38 130.164 124.002 6.162 1
1 399 . 1 1 1 A 39 39 SER H H 39 8.668 8.392 0.276 1
1 400 . 1 1 1 A 39 39 SER HA H 39 4.469 4.288 0.181 1
1 403 . 1 1 1 A 39 39 SER CA C 39 59.342 61.118 -1.776 1
1 404 . 1 1 1 A 39 39 SER CB C 39 64.938 62.807 2.131 1
1 405 . 1 1 1 A 39 39 SER N N 39 111.397 112.884 -1.487 1
1 406 . 1 1 1 A 40 40 ALA H H 40 7.466 7.798 -0.332 1
1 407 . 1 1 1 A 40 40 ALA HA H 40 4.136 4.081 0.055 1
1 411 . 1 1 1 A 40 40 ALA CA C 40 55.000 54.735 0.265 1
1 412 . 1 1 1 A 40 40 ALA CB C 40 20.463 18.855 1.608 1
1 413 . 1 1 1 A 40 40 ALA N N 40 124.335 123.706 0.629 1
1 414 . 1 1 1 A 41 41 THR H H 41 7.098 7.380 -0.282 1
1 415 . 1 1 1 A 41 41 THR HA H 41 4.978 4.905 0.073 1
1 420 . 1 1 1 A 41 41 THR CA C 41 57.841 58.832 -0.991 1
1 421 . 1 1 1 A 41 41 THR CB C 41 70.742 71.361 -0.619 1
1 423 . 1 1 1 A 41 41 THR N N 41 105.166 107.540 -2.374 1
1 424 . 1 1 1 A 42 42 PRO HA H 42 4.299 4.386 -0.087 1
1 431 . 1 1 1 A 42 42 PRO CA C 42 64.586 65.187 -0.601 1
1 432 . 1 1 1 A 42 42 PRO CB C 42 31.963 31.971 -0.008 1
1 435 . 1 1 1 A 43 43 GLU H H 43 8.997 8.044 0.953 1
1 436 . 1 1 1 A 43 43 GLU HA H 43 4.052 4.124 -0.072 1
1 441 . 1 1 1 A 43 43 GLU CA C 43 60.694 59.637 1.057 1
1 442 . 1 1 1 A 43 43 GLU CB C 43 28.709 29.655 -0.946 1
1 444 . 1 1 1 A 43 43 GLU N N 43 118.804 118.217 0.587 1
1 445 . 1 1 1 A 44 44 LEU H H 44 7.882 8.493 -0.611 1
1 446 . 1 1 1 A 44 44 LEU HA H 44 4.285 4.044 0.241 1
1 456 . 1 1 1 A 44 44 LEU CA C 44 57.573 58.200 -0.627 1
1 457 . 1 1 1 A 44 44 LEU CB C 44 42.548 41.669 0.879 1
1 461 . 1 1 1 A 44 44 LEU N N 44 122.381 120.044 2.337 1
1 462 . 1 1 1 A 45 45 ARG H H 45 7.709 7.667 0.042 1
1 463 . 1 1 1 A 45 45 ARG HA H 45 4.026 4.147 -0.121 1
1 470 . 1 1 1 A 45 45 ARG CA C 45 60.055 58.955 1.100 1
1 471 . 1 1 1 A 45 45 ARG CB C 45 29.943 29.740 0.203 1
1 474 . 1 1 1 A 45 45 ARG N N 45 122.487 120.996 1.491 1
1 475 . 1 1 1 A 46 46 ALA H H 46 8.144 8.003 0.141 1
1 476 . 1 1 1 A 46 46 ALA HA H 46 4.074 4.407 -0.333 1
1 480 . 1 1 1 A 46 46 ALA CA C 46 54.865 55.413 -0.548 1
1 481 . 1 1 1 A 46 46 ALA CB C 46 17.777 18.563 -0.786 1
1 482 . 1 1 1 A 46 46 ALA N N 46 121.132 122.619 -1.487 1
1 483 . 1 1 1 A 47 47 GLU H H 47 7.902 8.653 -0.751 1
1 484 . 1 1 1 A 47 47 GLU HA H 47 3.995 4.075 -0.080 1
1 489 . 1 1 1 A 47 47 GLU CA C 47 59.524 59.258 0.266 1
1 490 . 1 1 1 A 47 47 GLU CB C 47 29.915 29.496 0.419 1
1 492 . 1 1 1 A 47 47 GLU N N 47 121.104 116.682 4.422 1
1 493 . 1 1 1 A 48 48 MET H H 48 7.984 7.786 0.198 1
1 494 . 1 1 1 A 48 48 MET HA H 48 2.786 4.219 -1.433 1
1 499 . 1 1 1 A 48 48 MET CA C 48 59.662 58.439 1.223 1
1 500 . 1 1 1 A 48 48 MET CB C 48 33.701 33.315 0.386 1
1 502 . 1 1 1 A 48 48 MET N N 48 118.769 119.833 -1.064 1
1 503 . 1 1 1 A 49 49 GLN H H 49 8.209 8.485 -0.276 1
1 504 . 1 1 1 A 49 49 GLN HA H 49 4.299 4.196 0.103 1
1 511 . 1 1 1 A 49 49 GLN CA C 49 58.669 58.606 0.063 1
1 512 . 1 1 1 A 49 49 GLN CB C 49 28.742 27.775 0.967 1
1 514 . 1 1 1 A 49 49 GLN N N 49 122.155 117.451 4.704 1
1 516 . 1 1 1 A 50 50 GLU H H 50 8.671 8.152 0.519 1
1 517 . 1 1 1 A 50 50 GLU HA H 50 3.904 4.144 -0.240 1
1 522 . 1 1 1 A 50 50 GLU CA C 50 59.156 59.130 0.026 1
1 523 . 1 1 1 A 50 50 GLU CB C 50 29.504 28.999 0.505 1
1 525 . 1 1 1 A 50 50 GLU N N 50 122.081 120.372 1.709 1
1 526 . 1 1 1 A 51 51 ARG H H 51 8.244 7.769 0.475 1
1 527 . 1 1 1 A 51 51 ARG HA H 51 3.993 4.209 -0.216 1
1 534 . 1 1 1 A 51 51 ARG CA C 51 58.503 58.720 -0.217 1
1 535 . 1 1 1 A 51 51 ARG CB C 51 31.363 30.426 0.937 1
1 538 . 1 1 1 A 51 51 ARG N N 51 115.848 119.967 -4.119 1
1 539 . 1 1 1 A 52 52 SER H H 52 7.994 7.878 0.116 1
1 540 . 1 1 1 A 52 52 SER HA H 52 3.674 4.380 -0.706 1
1 543 . 1 1 1 A 52 52 SER CA C 52 58.897 59.026 -0.129 1
1 544 . 1 1 1 A 52 52 SER CB C 52 66.908 63.462 3.446 1
1 545 . 1 1 1 A 52 52 SER N N 52 109.721 111.868 -2.147 1
1 546 . 1 1 1 A 53 53 GLY H H 53 8.205 9.000 -0.795 1
1 547 . 1 1 1 A 53 53 GLY HA2 H 53 3.815 3.839 -0.024 1
1 548 . 1 1 1 A 53 53 GLY HA3 H 53 4.063 3.864 0.199 1
1 549 . 1 1 1 A 53 53 GLY CA C 53 46.182 45.633 0.549 1
1 550 . 1 1 1 A 53 53 GLY N N 53 112.716 109.516 3.200 1
1 551 . 1 1 1 A 54 54 ARG H H 54 8.323 7.267 1.056 1
1 552 . 1 1 1 A 54 54 ARG HA H 54 4.595 4.874 -0.279 1
1 559 . 1 1 1 A 54 54 ARG CA C 54 54.426 53.886 0.540 1
1 560 . 1 1 1 A 54 54 ARG CB C 54 35.418 34.139 1.279 1
1 563 . 1 1 1 A 54 54 ARG N N 54 119.629 119.707 -0.078 1
1 564 . 1 1 1 A 55 55 ASN H H 55 8.184 8.824 -0.640 1
1 565 . 1 1 1 A 55 55 ASN HA H 55 4.692 4.535 0.157 1
1 570 . 1 1 1 A 55 55 ASN CA C 55 51.458 56.115 -4.657 1
1 571 . 1 1 1 A 55 55 ASN N N 55 112.763 119.191 -6.428 1
1 573 . 1 1 1 A 56 56 THR H H 56 6.730 7.684 -0.954 1
1 574 . 1 1 1 A 56 56 THR HA H 56 4.309 4.980 -0.671 1
1 579 . 1 1 1 A 56 56 THR CA C 56 59.120 61.469 -2.349 1
1 580 . 1 1 1 A 56 56 THR CB C 56 70.754 72.129 -1.375 1
1 582 . 1 1 1 A 56 56 THR N N 56 107.946 110.881 -2.935 1
1 583 . 1 1 1 A 57 57 PHE H H 57 8.568 9.064 -0.496 1
1 584 . 1 1 1 A 57 57 PHE HA H 57 4.641 5.135 -0.494 1
1 592 . 1 1 1 A 57 57 PHE CA C 57 54.923 55.350 -0.427 1
1 593 . 1 1 1 A 57 57 PHE CB C 57 41.272 40.647 0.625 1
1 594 . 1 1 1 A 57 57 PHE N N 57 117.566 121.879 -4.313 1
1 595 . 1 1 1 A 58 58 PRO HA H 58 5.604 4.522 1.082 1
1 602 . 1 1 1 A 58 58 PRO CA C 58 62.749 62.778 -0.029 1
1 603 . 1 1 1 A 58 58 PRO CB C 58 36.563 31.869 4.694 1
1 606 . 1 1 1 A 59 59 GLN H H 59 7.926 8.345 -0.419 1
1 607 . 1 1 1 A 59 59 GLN HA H 59 4.813 4.729 0.084 1
1 614 . 1 1 1 A 59 59 GLN CA C 59 55.111 54.876 0.235 1
1 615 . 1 1 1 A 59 59 GLN CB C 59 31.737 29.691 2.046 1
1 617 . 1 1 1 A 59 59 GLN N N 59 112.301 121.691 -9.390 1
1 619 . 1 1 1 A 60 60 ILE H H 60 8.936 8.854 0.082 1
1 620 . 1 1 1 A 60 60 ILE HA H 60 4.933 4.342 0.591 1
1 630 . 1 1 1 A 60 60 ILE CA C 60 61.288 60.115 1.173 1
1 631 . 1 1 1 A 60 60 ILE CB C 60 40.912 39.049 1.863 1
1 635 . 1 1 1 A 60 60 ILE N N 60 123.133 123.960 -0.827 1
1 636 . 1 1 1 A 61 61 PHE H H 61 9.629 8.891 0.738 1
1 637 . 1 1 1 A 61 61 PHE HA H 61 5.354 5.224 0.130 1
1 645 . 1 1 1 A 61 61 PHE CA C 61 56.630 57.166 -0.536 1
1 646 . 1 1 1 A 61 61 PHE CB C 61 41.883 40.385 1.498 1
1 647 . 1 1 1 A 61 61 PHE N N 61 128.347 126.705 1.642 1
1 648 . 1 1 1 A 62 62 ILE H H 62 9.070 8.879 0.191 1
1 649 . 1 1 1 A 62 62 ILE HA H 62 4.587 4.665 -0.078 1
1 659 . 1 1 1 A 62 62 ILE CA C 62 60.903 60.164 0.739 1
1 660 . 1 1 1 A 62 62 ILE CB C 62 39.789 39.906 -0.117 1
1 664 . 1 1 1 A 62 62 ILE N N 62 122.709 123.888 -1.179 1
1 665 . 1 1 1 A 63 63 GLY H H 63 9.303 8.629 0.674 1
1 666 . 1 1 1 A 63 63 GLY HA2 H 63 3.889 3.903 -0.014 1
1 667 . 1 1 1 A 63 63 GLY HA3 H 63 4.081 3.904 0.177 1
1 668 . 1 1 1 A 63 63 GLY CA C 63 47.216 47.358 -0.142 1
1 669 . 1 1 1 A 63 63 GLY N N 63 116.351 117.580 -1.229 1
1 670 . 1 1 1 A 64 64 SER H H 64 9.242 8.393 0.849 1
1 671 . 1 1 1 A 64 64 SER HA H 64 4.525 4.578 -0.053 1
1 674 . 1 1 1 A 64 64 SER CA C 64 59.046 57.871 1.175 1
1 675 . 1 1 1 A 64 64 SER CB C 64 63.900 64.200 -0.300 1
1 676 . 1 1 1 A 64 64 SER N N 64 122.307 120.608 1.699 1
1 677 . 1 1 1 A 65 65 VAL H H 65 8.475 7.615 0.860 1
1 678 . 1 1 1 A 65 65 VAL HA H 65 4.013 4.759 -0.746 1
1 686 . 1 1 1 A 65 65 VAL CA C 65 62.737 60.464 2.273 1
1 687 . 1 1 1 A 65 65 VAL CB C 65 33.308 35.781 -2.473 1
1 690 . 1 1 1 A 65 65 VAL N N 65 124.659 121.282 3.377 1
1 691 . 1 1 1 A 66 66 HIS H H 66 8.968 8.973 -0.005 1
1 692 . 1 1 1 A 66 66 HIS HA H 66 4.337 5.255 -0.918 1
1 698 . 1 1 1 A 66 66 HIS CA C 66 54.409 54.571 -0.162 1
1 699 . 1 1 1 A 66 66 HIS CB C 66 31.099 30.568 0.531 1
1 700 . 1 1 1 A 66 66 HIS N N 66 128.172 126.691 1.481 1
1 701 . 1 1 1 A 67 67 VAL H H 67 8.148 8.855 -0.707 1
1 702 . 1 1 1 A 67 67 VAL HA H 67 3.329 3.668 -0.339 1
1 710 . 1 1 1 A 67 67 VAL CA C 67 64.129 65.508 -1.379 1
1 711 . 1 1 1 A 67 67 VAL CB C 67 32.554 32.235 0.319 1
1 714 . 1 1 1 A 67 67 VAL N N 67 130.509 127.611 2.898 1
1 715 . 1 1 1 A 68 68 GLY H H 68 6.365 7.394 -1.029 1
1 716 . 1 1 1 A 68 68 GLY HA2 H 68 3.003 3.989 -0.986 1
1 717 . 1 1 1 A 68 68 GLY HA3 H 68 4.513 4.147 0.366 1
1 718 . 1 1 1 A 68 68 GLY CA C 68 43.722 45.839 -2.117 1
1 719 . 1 1 1 A 68 68 GLY N N 68 102.729 105.703 -2.974 1
1 720 . 1 1 1 A 69 69 GLY H H 69 9.087 8.507 0.580 1
1 721 . 1 1 1 A 69 69 GLY HA2 H 69 3.752 4.186 -0.434 1
1 722 . 1 1 1 A 69 69 GLY HA3 H 69 4.633 4.450 0.183 1
1 723 . 1 1 1 A 69 69 GLY CA C 69 43.851 45.396 -1.545 1
1 724 . 1 1 1 A 69 69 GLY N N 69 110.274 111.918 -1.644 1
1 725 . 1 1 1 A 70 70 CYS H H 70 8.467 8.753 -0.286 1
1 726 . 1 1 1 A 70 70 CYS HA H 70 3.806 4.181 -0.375 1
1 729 . 1 1 1 A 70 70 CYS CA C 70 63.366 61.562 1.804 1
1 730 . 1 1 1 A 70 70 CYS CB C 70 27.642 27.157 0.485 1
1 731 . 1 1 1 A 70 70 CYS N N 70 118.787 117.826 0.961 1
1 732 . 1 1 1 A 71 71 ASP HA H 71 4.398 4.272 0.126 1
1 735 . 1 1 1 A 71 71 ASP CA C 71 57.405 57.259 0.146 1
1 736 . 1 1 1 A 71 71 ASP CB C 71 39.058 41.267 -2.209 1
1 737 . 1 1 1 A 72 72 ASP H H 72 7.266 8.323 -1.057 1
1 738 . 1 1 1 A 72 72 ASP HA H 72 4.285 4.499 -0.214 1
1 741 . 1 1 1 A 72 72 ASP CA C 72 57.322 57.464 -0.142 1
1 742 . 1 1 1 A 72 72 ASP CB C 72 41.553 40.392 1.161 1
1 743 . 1 1 1 A 72 72 ASP N N 72 119.650 119.510 0.140 1
1 744 . 1 1 1 A 73 73 LEU H H 73 7.755 8.187 -0.432 1
1 745 . 1 1 1 A 73 73 LEU HA H 73 3.736 4.064 -0.328 1
1 755 . 1 1 1 A 73 73 LEU CA C 73 58.272 57.829 0.443 1
1 756 . 1 1 1 A 73 73 LEU CB C 73 41.995 41.815 0.180 1
1 760 . 1 1 1 A 73 73 LEU N N 73 121.526 121.262 0.264 1
1 761 . 1 1 1 A 74 74 TYR H H 74 8.244 8.267 -0.023 1
1 762 . 1 1 1 A 74 74 TYR HA H 74 3.697 4.103 -0.406 1
1 769 . 1 1 1 A 74 74 TYR CA C 74 62.802 61.676 1.126 1
1 770 . 1 1 1 A 74 74 TYR CB C 74 37.819 38.059 -0.240 1
1 771 . 1 1 1 A 74 74 TYR N N 74 116.552 118.268 -1.716 1
1 772 . 1 1 1 A 75 75 ALA H H 75 8.169 8.455 -0.286 1
1 773 . 1 1 1 A 75 75 ALA HA H 75 4.286 4.157 0.129 1
1 777 . 1 1 1 A 75 75 ALA CA C 75 55.465 55.004 0.461 1
1 778 . 1 1 1 A 75 75 ALA CB C 75 17.722 18.582 -0.860 1
1 779 . 1 1 1 A 75 75 ALA N N 75 122.825 123.173 -0.348 1
1 780 . 1 1 1 A 76 76 LEU H H 76 7.353 8.314 -0.961 1
1 781 . 1 1 1 A 76 76 LEU HA H 76 4.003 4.058 -0.055 1
1 791 . 1 1 1 A 76 76 LEU CA C 76 57.687 57.772 -0.085 1
1 792 . 1 1 1 A 76 76 LEU CB C 76 42.753 41.429 1.324 1
1 796 . 1 1 1 A 76 76 LEU N N 76 116.756 120.536 -3.780 1
1 797 . 1 1 1 A 77 77 GLU H H 77 7.420 8.409 -0.989 1
1 798 . 1 1 1 A 77 77 GLU HA H 77 4.575 4.037 0.538 1
1 803 . 1 1 1 A 77 77 GLU CA C 77 57.962 58.573 -0.611 1
1 804 . 1 1 1 A 77 77 GLU CB C 77 28.292 28.441 -0.149 1
1 806 . 1 1 1 A 77 77 GLU N N 77 121.356 117.772 3.584 1
1 807 . 1 1 1 A 78 78 ASP H H 78 8.637 8.181 0.456 1
1 808 . 1 1 1 A 78 78 ASP HA H 78 4.399 4.378 0.021 1
1 811 . 1 1 1 A 78 78 ASP CA C 78 57.569 57.454 0.115 1
1 812 . 1 1 1 A 78 78 ASP CB C 78 40.715 41.053 -0.338 1
1 813 . 1 1 1 A 78 78 ASP N N 78 123.396 121.155 2.241 1
1 814 . 1 1 1 A 79 79 GLU H H 79 7.773 7.907 -0.134 1
1 815 . 1 1 1 A 79 79 GLU HA H 79 4.283 4.373 -0.090 1
1 820 . 1 1 1 A 79 79 GLU CA C 79 56.357 56.291 0.066 1
1 821 . 1 1 1 A 79 79 GLU CB C 79 30.855 30.721 0.134 1
1 823 . 1 1 1 A 79 79 GLU N N 79 115.336 115.931 -0.595 1
1 824 . 1 1 1 A 80 80 GLY H H 80 8.050 7.925 0.125 1
1 825 . 1 1 1 A 80 80 GLY HA2 H 80 4.031 3.970 0.061 1
1 826 . 1 1 1 A 80 80 GLY HA3 H 80 4.031 3.971 0.060 1
1 827 . 1 1 1 A 80 80 GLY CA C 80 46.314 46.078 0.236 1
1 828 . 1 1 1 A 80 80 GLY N N 80 108.957 108.272 0.685 1
1 829 . 1 1 1 A 81 81 LYS H H 81 8.188 7.623 0.565 1
1 830 . 1 1 1 A 81 81 LYS HA H 81 4.415 4.285 0.130 1
1 839 . 1 1 1 A 81 81 LYS CA C 81 56.716 57.674 -0.958 1
1 840 . 1 1 1 A 81 81 LYS CB C 81 35.935 32.534 3.401 1
1 844 . 1 1 1 A 81 81 LYS N N 81 116.879 119.035 -2.156 1
1 845 . 1 1 1 A 82 82 LEU H H 82 7.499 8.229 -0.730 1
1 846 . 1 1 1 A 82 82 LEU HA H 82 3.977 4.000 -0.023 1
1 856 . 1 1 1 A 82 82 LEU CA C 82 57.480 57.903 -0.423 1
1 857 . 1 1 1 A 82 82 LEU CB C 82 40.489 41.550 -1.061 1
1 861 . 1 1 1 A 82 82 LEU N N 82 122.734 122.167 0.567 1
1 862 . 1 1 1 A 83 83 ASP H H 83 8.625 8.192 0.433 1
1 863 . 1 1 1 A 83 83 ASP HA H 83 4.248 4.393 -0.145 1
1 866 . 1 1 1 A 83 83 ASP CA C 83 58.680 57.801 0.879 1
1 867 . 1 1 1 A 83 83 ASP CB C 83 40.149 42.027 -1.878 1
1 868 . 1 1 1 A 83 83 ASP N N 83 119.728 119.548 0.180 1
1 869 . 1 1 1 A 84 84 SER H H 84 8.426 7.946 0.480 1
1 870 . 1 1 1 A 84 84 SER HA H 84 4.219 4.297 -0.078 1
1 873 . 1 1 1 A 84 84 SER CA C 84 61.473 61.119 0.354 1
1 874 . 1 1 1 A 84 84 SER CB C 84 62.589 63.040 -0.451 1
1 875 . 1 1 1 A 84 84 SER N N 84 113.454 114.560 -1.106 1
1 876 . 1 1 1 A 85 85 LEU H H 85 7.551 7.896 -0.345 1
1 877 . 1 1 1 A 85 85 LEU HA H 85 4.319 4.111 0.208 1
1 887 . 1 1 1 A 85 85 LEU CA C 85 58.355 57.609 0.746 1
1 888 . 1 1 1 A 85 85 LEU CB C 85 41.588 41.488 0.100 1
1 892 . 1 1 1 A 85 85 LEU N N 85 126.500 122.341 4.159 1
1 893 . 1 1 1 A 86 86 LEU H H 86 8.382 7.863 0.519 1
1 894 . 1 1 1 A 86 86 LEU HA H 86 3.827 4.108 -0.281 1
1 904 . 1 1 1 A 86 86 LEU CA C 86 57.826 57.682 0.144 1
1 905 . 1 1 1 A 86 86 LEU CB C 86 41.840 41.525 0.315 1
1 909 . 1 1 1 A 86 86 LEU N N 86 117.962 115.904 2.058 1
1 910 . 1 1 1 A 87 87 LYS H H 87 7.522 7.660 -0.138 1
1 911 . 1 1 1 A 87 87 LYS HA H 87 4.331 4.160 0.171 1
1 920 . 1 1 1 A 87 87 LYS CA C 87 58.325 58.910 -0.585 1
1 921 . 1 1 1 A 87 87 LYS CB C 87 34.043 33.180 0.863 1
1 925 . 1 1 1 A 87 87 LYS N N 87 114.198 118.459 -4.261 1
1 926 . 1 1 1 A 88 88 THR H H 88 8.165 8.346 -0.181 1
1 927 . 1 1 1 A 88 88 THR HA H 88 4.507 4.439 0.068 1
1 932 . 1 1 1 A 88 88 THR CA C 88 62.385 62.556 -0.171 1
1 933 . 1 1 1 A 88 88 THR CB C 88 72.525 70.555 1.970 1
1 935 . 1 1 1 A 88 88 THR N N 88 106.021 108.310 -2.289 1
1 936 . 1 1 1 A 89 89 GLY H H 89 9.139 8.884 0.255 1
1 937 . 1 1 1 A 89 89 GLY HA2 H 89 3.612 3.902 -0.290 1
1 938 . 1 1 1 A 89 89 GLY HA3 H 89 4.204 3.908 0.296 1
1 939 . 1 1 1 A 89 89 GLY CA C 89 46.770 45.703 1.067 1
1 940 . 1 1 1 A 89 89 GLY N N 89 112.926 111.999 0.927 1
1 941 . 1 1 1 A 90 90 LYS H H 90 7.933 7.590 0.343 1
1 942 . 1 1 1 A 90 90 LYS HA H 90 4.459 4.924 -0.465 1
1 951 . 1 1 1 A 90 90 LYS CA C 90 54.576 54.427 0.149 1
1 952 . 1 1 1 A 90 90 LYS CB C 90 35.788 36.885 -1.097 1
1 956 . 1 1 1 A 90 90 LYS N N 90 117.810 119.825 -2.015 1
1 957 . 1 1 1 A 91 91 LEU H H 91 8.487 8.385 0.102 1
1 958 . 1 1 1 A 91 91 LEU HA H 91 4.423 4.777 -0.354 1
1 968 . 1 1 1 A 91 91 LEU CA C 91 54.491 53.529 0.962 1
1 969 . 1 1 1 A 91 91 LEU CB C 91 43.083 43.306 -0.223 1
1 973 . 1 1 1 A 91 91 LEU N N 91 123.364 119.753 3.611 1
1 1 . 2 1 1 A 2 2 PRO HA H 2 4.444 4.142 0.302 1
1 8 . 2 1 1 A 2 2 PRO CA C 2 63.468 63.468 0.000 1
1 9 . 2 1 1 A 2 2 PRO CB C 2 32.153 31.913 0.240 1
1 12 . 2 1 1 A 3 3 GLY H H 3 8.672 8.824 -0.152 1
1 13 . 2 1 1 A 3 3 GLY HA2 H 3 4.759 3.998 0.761 1
1 14 . 2 1 1 A 3 3 GLY HA3 H 3 4.759 3.999 0.760 1
1 15 . 2 1 1 A 3 3 GLY CA C 3 45.323 45.310 0.013 1
1 16 . 2 1 1 A 3 3 GLY N N 3 110.465 111.084 -0.619 1
1 17 . 2 1 1 A 4 4 SER H H 4 8.201 8.842 -0.641 1
1 18 . 2 1 1 A 4 4 SER HA H 4 4.454 4.121 0.333 1
1 21 . 2 1 1 A 4 4 SER CA C 4 58.370 59.298 -0.928 1
1 22 . 2 1 1 A 4 4 SER CB C 4 64.049 62.038 2.011 1
1 23 . 2 1 1 A 4 4 SER N N 4 115.747 117.769 -2.022 1
1 24 . 2 1 1 A 5 5 MET H H 5 8.315 7.824 0.491 1
1 25 . 2 1 1 A 5 5 MET HA H 5 4.675 4.892 -0.217 1
1 30 . 2 1 1 A 5 5 MET CA C 5 55.466 54.331 1.135 1
1 31 . 2 1 1 A 5 5 MET CB C 5 34.462 35.525 -1.063 1
1 33 . 2 1 1 A 5 5 MET N N 5 121.679 118.846 2.833 1
1 34 . 2 1 1 A 6 6 VAL H H 6 8.169 8.740 -0.571 1
1 35 . 2 1 1 A 6 6 VAL HA H 6 4.141 4.863 -0.722 1
1 43 . 2 1 1 A 6 6 VAL CA C 6 61.395 58.738 2.657 1
1 44 . 2 1 1 A 6 6 VAL CB C 6 32.669 35.429 -2.760 1
1 47 . 2 1 1 A 6 6 VAL N N 6 118.330 117.619 0.711 1
1 48 . 2 1 1 A 7 7 ASP H H 7 8.335 8.678 -0.343 1
1 49 . 2 1 1 A 7 7 ASP HA H 7 4.526 5.030 -0.504 1
1 52 . 2 1 1 A 7 7 ASP CA C 7 55.023 54.611 0.412 1
1 53 . 2 1 1 A 7 7 ASP CB C 7 41.455 41.320 0.135 1
1 54 . 2 1 1 A 7 7 ASP N N 7 122.032 122.158 -0.126 1
1 55 . 2 1 1 A 8 8 VAL H H 8 8.662 9.152 -0.490 1
1 56 . 2 1 1 A 8 8 VAL HA H 8 4.947 4.958 -0.011 1
1 64 . 2 1 1 A 8 8 VAL CA C 8 61.415 61.480 -0.065 1
1 65 . 2 1 1 A 8 8 VAL CB C 8 33.703 33.968 -0.265 1
1 68 . 2 1 1 A 8 8 VAL N N 8 124.216 125.663 -1.447 1
1 69 . 2 1 1 A 9 9 ILE H H 9 9.311 9.229 0.082 1
1 70 . 2 1 1 A 9 9 ILE HA H 9 4.963 5.104 -0.141 1
1 80 . 2 1 1 A 9 9 ILE CA C 9 59.648 59.860 -0.212 1
1 81 . 2 1 1 A 9 9 ILE CB C 9 41.374 42.512 -1.138 1
1 85 . 2 1 1 A 9 9 ILE N N 9 129.869 126.888 2.981 1
1 86 . 2 1 1 A 10 10 ILE H H 10 8.720 9.513 -0.793 1
1 87 . 2 1 1 A 10 10 ILE HA H 10 5.442 5.278 0.164 1
1 97 . 2 1 1 A 10 10 ILE CA C 10 58.153 58.496 -0.343 1
1 98 . 2 1 1 A 10 10 ILE CB C 10 41.947 41.153 0.794 1
1 102 . 2 1 1 A 10 10 ILE N N 10 123.598 128.921 -5.323 1
1 103 . 2 1 1 A 11 11 TYR H H 11 9.340 8.747 0.593 1
1 104 . 2 1 1 A 11 11 TYR HA H 11 5.667 5.638 0.029 1
1 111 . 2 1 1 A 11 11 TYR CA C 11 57.300 56.215 1.085 1
1 112 . 2 1 1 A 11 11 TYR CB C 11 40.550 40.692 -0.142 1
1 113 . 2 1 1 A 11 11 TYR N N 11 128.888 127.905 0.983 1
1 114 . 2 1 1 A 12 12 THR H H 12 9.374 8.796 0.578 1
1 115 . 2 1 1 A 12 12 THR HA H 12 5.277 5.108 0.169 1
1 120 . 2 1 1 A 12 12 THR CA C 12 59.567 59.687 -0.120 1
1 121 . 2 1 1 A 12 12 THR CB C 12 72.183 72.635 -0.452 1
1 123 . 2 1 1 A 12 12 THR N N 12 112.083 113.655 -1.572 1
1 124 . 2 1 1 A 13 13 ARG H H 13 7.379 8.768 -1.389 1
1 125 . 2 1 1 A 13 13 ARG HA H 13 4.779 4.845 -0.066 1
1 132 . 2 1 1 A 13 13 ARG CA C 13 52.961 53.807 -0.846 1
1 133 . 2 1 1 A 13 13 ARG CB C 13 31.374 33.629 -2.255 1
1 136 . 2 1 1 A 13 13 ARG N N 13 113.131 119.931 -6.800 1
1 137 . 2 1 1 A 14 14 PRO HA H 14 4.276 4.294 -0.018 1
1 144 . 2 1 1 A 14 14 PRO CA C 14 63.498 63.667 -0.169 1
1 145 . 2 1 1 A 14 14 PRO CB C 14 32.015 31.184 0.831 1
1 148 . 2 1 1 A 15 15 GLY H H 15 8.672 8.857 -0.185 1
1 149 . 2 1 1 A 15 15 GLY HA2 H 15 3.946 3.911 0.035 1
1 150 . 2 1 1 A 15 15 GLY HA3 H 15 3.946 3.917 0.029 1
1 151 . 2 1 1 A 15 15 GLY N N 15 110.274 112.431 -2.157 1
1 152 . 2 1 1 A 16 16 CYS H H 16 6.985 7.629 -0.644 1
1 153 . 2 1 1 A 16 16 CYS HA H 16 4.769 4.749 0.020 1
1 156 . 2 1 1 A 16 16 CYS CA C 16 56.315 55.834 0.481 1
1 157 . 2 1 1 A 16 16 CYS CB C 16 31.724 29.081 2.643 1
1 158 . 2 1 1 A 16 16 CYS N N 16 124.357 119.681 4.676 1
1 159 . 2 1 1 A 17 17 PRO HA H 17 4.417 4.288 0.129 1
1 166 . 2 1 1 A 17 17 PRO CA C 17 64.516 65.549 -1.033 1
1 167 . 2 1 1 A 17 17 PRO CB C 17 32.205 31.601 0.604 1
1 170 . 2 1 1 A 18 18 TYR H H 18 9.273 7.714 1.559 1
1 171 . 2 1 1 A 18 18 TYR HA H 18 4.375 4.225 0.150 1
1 178 . 2 1 1 A 18 18 TYR CA C 18 61.227 61.497 -0.270 1
1 179 . 2 1 1 A 18 18 TYR CB C 18 38.025 37.751 0.274 1
1 180 . 2 1 1 A 18 18 TYR N N 18 127.619 117.559 10.060 1
1 181 . 2 1 1 A 19 19 CYS H H 19 9.854 8.160 1.694 1
1 182 . 2 1 1 A 19 19 CYS HA H 19 3.870 4.075 -0.205 1
1 185 . 2 1 1 A 19 19 CYS CA C 19 64.810 63.220 1.590 1
1 186 . 2 1 1 A 19 19 CYS CB C 19 29.498 27.370 2.128 1
1 187 . 2 1 1 A 19 19 CYS N N 19 128.016 119.759 8.257 1
1 188 . 2 1 1 A 20 20 ALA H H 20 7.948 7.728 0.220 1
1 189 . 2 1 1 A 20 20 ALA HA H 20 3.995 3.988 0.007 1
1 193 . 2 1 1 A 20 20 ALA CA C 20 55.804 55.425 0.379 1
1 194 . 2 1 1 A 20 20 ALA CB C 20 18.201 18.298 -0.097 1
1 195 . 2 1 1 A 20 20 ALA N N 20 121.373 122.359 -0.986 1
1 196 . 2 1 1 A 21 21 ARG H H 21 8.064 7.749 0.315 1
1 197 . 2 1 1 A 21 21 ARG HA H 21 4.159 4.083 0.076 1
1 204 . 2 1 1 A 21 21 ARG CA C 21 59.500 59.573 -0.073 1
1 205 . 2 1 1 A 21 21 ARG CB C 21 30.535 30.326 0.209 1
1 208 . 2 1 1 A 21 21 ARG N N 21 119.886 117.754 2.132 1
1 209 . 2 1 1 A 22 22 ALA H H 22 8.342 7.763 0.579 1
1 210 . 2 1 1 A 22 22 ALA HA H 22 4.174 4.206 -0.032 1
1 214 . 2 1 1 A 22 22 ALA CA C 22 55.658 55.251 0.407 1
1 215 . 2 1 1 A 22 22 ALA CB C 22 19.485 18.173 1.312 1
1 216 . 2 1 1 A 22 22 ALA N N 22 125.852 121.793 4.059 1
1 217 . 2 1 1 A 23 23 LYS H H 23 7.968 8.371 -0.403 1
1 218 . 2 1 1 A 23 23 LYS HA H 23 3.243 3.785 -0.542 1
1 227 . 2 1 1 A 23 23 LYS CA C 23 60.699 59.292 1.407 1
1 228 . 2 1 1 A 23 23 LYS CB C 23 31.640 32.394 -0.754 1
1 232 . 2 1 1 A 23 23 LYS N N 23 116.539 117.353 -0.814 1
1 233 . 2 1 1 A 24 24 ALA H H 24 8.027 7.960 0.067 1
1 234 . 2 1 1 A 24 24 ALA HA H 24 4.152 4.200 -0.048 1
1 238 . 2 1 1 A 24 24 ALA CA C 24 55.067 55.127 -0.060 1
1 239 . 2 1 1 A 24 24 ALA CB C 24 18.039 18.344 -0.305 1
1 240 . 2 1 1 A 24 24 ALA N N 24 120.099 122.376 -2.277 1
1 241 . 2 1 1 A 25 25 LEU H H 25 7.184 8.237 -1.053 1
1 242 . 2 1 1 A 25 25 LEU HA H 25 4.089 4.135 -0.046 1
1 252 . 2 1 1 A 25 25 LEU CA C 25 57.761 57.832 -0.071 1
1 253 . 2 1 1 A 25 25 LEU CB C 25 40.444 41.820 -1.376 1
1 257 . 2 1 1 A 25 25 LEU N N 25 119.676 120.159 -0.483 1
1 258 . 2 1 1 A 26 26 LEU H H 26 7.477 8.188 -0.711 1
1 259 . 2 1 1 A 26 26 LEU HA H 26 3.701 4.207 -0.506 1
1 269 . 2 1 1 A 26 26 LEU CA C 26 58.523 57.757 0.766 1
1 270 . 2 1 1 A 26 26 LEU CB C 26 41.105 40.529 0.576 1
1 274 . 2 1 1 A 26 26 LEU N N 26 117.225 118.568 -1.343 1
1 275 . 2 1 1 A 27 27 ALA H H 27 8.657 8.349 0.308 1
1 276 . 2 1 1 A 27 27 ALA HA H 27 4.368 4.206 0.162 1
1 280 . 2 1 1 A 27 27 ALA CA C 27 55.066 55.092 -0.026 1
1 281 . 2 1 1 A 27 27 ALA CB C 27 18.137 18.403 -0.266 1
1 282 . 2 1 1 A 27 27 ALA N N 27 119.692 122.212 -2.520 1
1 283 . 2 1 1 A 28 28 ARG H H 28 8.048 8.053 -0.005 1
1 284 . 2 1 1 A 28 28 ARG HA H 28 4.110 4.056 0.054 1
1 291 . 2 1 1 A 28 28 ARG CA C 28 59.249 59.510 -0.261 1
1 292 . 2 1 1 A 28 28 ARG CB C 28 29.962 29.982 -0.020 1
1 295 . 2 1 1 A 28 28 ARG N N 28 121.433 119.123 2.310 1
1 296 . 2 1 1 A 29 29 LYS H H 29 7.660 7.920 -0.260 1
1 297 . 2 1 1 A 29 29 LYS HA H 29 4.192 4.246 -0.054 1
1 306 . 2 1 1 A 29 29 LYS CA C 29 54.864 55.861 -0.997 1
1 307 . 2 1 1 A 29 29 LYS CB C 29 31.476 32.169 -0.693 1
1 311 . 2 1 1 A 29 29 LYS N N 29 115.942 115.970 -0.028 1
1 312 . 2 1 1 A 30 30 GLY H H 30 7.919 7.769 0.150 1
1 313 . 2 1 1 A 30 30 GLY HA2 H 30 3.734 3.973 -0.239 1
1 314 . 2 1 1 A 30 30 GLY HA3 H 30 4.013 3.975 0.038 1
1 315 . 2 1 1 A 30 30 GLY CA C 30 45.497 45.270 0.227 1
1 316 . 2 1 1 A 30 30 GLY N N 30 107.837 109.315 -1.478 1
1 317 . 2 1 1 A 31 31 ALA H H 31 7.830 7.774 0.056 1
1 318 . 2 1 1 A 31 31 ALA HA H 31 4.446 4.322 0.124 1
1 322 . 2 1 1 A 31 31 ALA CA C 31 51.562 52.342 -0.780 1
1 323 . 2 1 1 A 31 31 ALA CB C 31 19.964 19.178 0.786 1
1 324 . 2 1 1 A 31 31 ALA N N 31 122.333 123.895 -1.562 1
1 325 . 2 1 1 A 32 32 GLU H H 32 8.322 8.639 -0.317 1
1 326 . 2 1 1 A 32 32 GLU HA H 32 4.173 4.265 -0.092 1
1 331 . 2 1 1 A 32 32 GLU CA C 32 55.621 56.776 -1.155 1
1 332 . 2 1 1 A 32 32 GLU CB C 32 29.734 30.391 -0.657 1
1 334 . 2 1 1 A 32 32 GLU N N 32 124.383 123.825 0.558 1
1 335 . 2 1 1 A 33 33 PHE H H 33 7.623 8.456 -0.833 1
1 336 . 2 1 1 A 33 33 PHE HA H 33 5.151 5.198 -0.047 1
1 344 . 2 1 1 A 33 33 PHE CA C 33 55.106 56.117 -1.011 1
1 345 . 2 1 1 A 33 33 PHE CB C 33 41.937 41.931 0.006 1
1 346 . 2 1 1 A 33 33 PHE N N 33 116.953 118.523 -1.570 1
1 347 . 2 1 1 A 34 34 ASN H H 34 8.938 9.033 -0.095 1
1 348 . 2 1 1 A 34 34 ASN HA H 34 4.897 4.824 0.073 1
1 353 . 2 1 1 A 34 34 ASN CA C 34 52.081 53.664 -1.583 1
1 354 . 2 1 1 A 34 34 ASN CB C 34 39.784 39.063 0.721 1
1 355 . 2 1 1 A 34 34 ASN N N 34 120.410 120.592 -0.182 1
1 357 . 2 1 1 A 35 35 GLU H H 35 8.764 8.897 -0.133 1
1 358 . 2 1 1 A 35 35 GLU HA H 35 5.135 4.906 0.229 1
1 363 . 2 1 1 A 35 35 GLU CA C 35 54.519 55.955 -1.436 1
1 364 . 2 1 1 A 35 35 GLU CB C 35 31.306 30.580 0.726 1
1 366 . 2 1 1 A 35 35 GLU N N 35 126.769 127.427 -0.658 1
1 367 . 2 1 1 A 36 36 ILE H H 36 8.975 8.770 0.205 1
1 368 . 2 1 1 A 36 36 ILE HA H 36 4.108 4.783 -0.675 1
1 378 . 2 1 1 A 36 36 ILE CA C 36 60.156 59.124 1.032 1
1 379 . 2 1 1 A 36 36 ILE CB C 36 40.382 41.608 -1.226 1
1 383 . 2 1 1 A 36 36 ILE N N 36 130.393 127.803 2.590 1
1 384 . 2 1 1 A 37 37 ASP H H 37 8.494 8.760 -0.266 1
1 385 . 2 1 1 A 37 37 ASP HA H 37 4.965 4.951 0.014 1
1 388 . 2 1 1 A 37 37 ASP CA C 37 52.537 53.195 -0.658 1
1 389 . 2 1 1 A 37 37 ASP CB C 37 39.350 42.304 -2.954 1
1 390 . 2 1 1 A 37 37 ASP N N 37 125.910 125.113 0.797 1
1 391 . 2 1 1 A 38 38 ALA H H 38 8.764 8.142 0.622 1
1 392 . 2 1 1 A 38 38 ALA HA H 38 4.621 4.117 0.504 1
1 396 . 2 1 1 A 38 38 ALA CA C 38 51.729 52.891 -1.162 1
1 397 . 2 1 1 A 38 38 ALA CB C 38 20.588 20.294 0.294 1
1 398 . 2 1 1 A 38 38 ALA N N 38 130.164 123.376 6.788 1
1 399 . 2 1 1 A 39 39 SER H H 39 8.668 8.039 0.629 1
1 400 . 2 1 1 A 39 39 SER HA H 39 4.469 4.457 0.012 1
1 403 . 2 1 1 A 39 39 SER CA C 39 59.342 59.486 -0.144 1
1 404 . 2 1 1 A 39 39 SER CB C 39 64.938 63.252 1.686 1
1 405 . 2 1 1 A 39 39 SER N N 39 111.397 114.160 -2.763 1
1 406 . 2 1 1 A 40 40 ALA H H 40 7.466 7.643 -0.177 1
1 407 . 2 1 1 A 40 40 ALA HA H 40 4.136 4.153 -0.017 1
1 411 . 2 1 1 A 40 40 ALA CA C 40 55.000 54.850 0.150 1
1 412 . 2 1 1 A 40 40 ALA CB C 40 20.463 19.462 1.001 1
1 413 . 2 1 1 A 40 40 ALA N N 40 124.335 122.269 2.066 1
1 414 . 2 1 1 A 41 41 THR H H 41 7.098 7.637 -0.539 1
1 415 . 2 1 1 A 41 41 THR HA H 41 4.978 4.875 0.103 1
1 420 . 2 1 1 A 41 41 THR CA C 41 57.841 58.788 -0.947 1
1 421 . 2 1 1 A 41 41 THR CB C 41 70.742 70.948 -0.206 1
1 423 . 2 1 1 A 41 41 THR N N 41 105.166 107.712 -2.546 1
1 424 . 2 1 1 A 42 42 PRO HA H 42 4.299 4.340 -0.041 1
1 431 . 2 1 1 A 42 42 PRO CA C 42 64.586 65.357 -0.771 1
1 432 . 2 1 1 A 42 42 PRO CB C 42 31.963 31.943 0.020 1
1 435 . 2 1 1 A 43 43 GLU H H 43 8.997 8.436 0.561 1
1 436 . 2 1 1 A 43 43 GLU HA H 43 4.052 4.103 -0.051 1
1 441 . 2 1 1 A 43 43 GLU CA C 43 60.694 59.572 1.122 1
1 442 . 2 1 1 A 43 43 GLU CB C 43 28.709 29.271 -0.562 1
1 444 . 2 1 1 A 43 43 GLU N N 43 118.804 118.047 0.757 1
1 445 . 2 1 1 A 44 44 LEU H H 44 7.882 8.477 -0.595 1
1 446 . 2 1 1 A 44 44 LEU HA H 44 4.285 4.142 0.143 1
1 456 . 2 1 1 A 44 44 LEU CA C 44 57.573 57.660 -0.087 1
1 457 . 2 1 1 A 44 44 LEU CB C 44 42.548 41.091 1.457 1
1 461 . 2 1 1 A 44 44 LEU N N 44 122.381 120.225 2.156 1
1 462 . 2 1 1 A 45 45 ARG H H 45 7.709 7.943 -0.234 1
1 463 . 2 1 1 A 45 45 ARG HA H 45 4.026 4.108 -0.082 1
1 470 . 2 1 1 A 45 45 ARG CA C 45 60.055 59.319 0.736 1
1 471 . 2 1 1 A 45 45 ARG CB C 45 29.943 29.786 0.157 1
1 474 . 2 1 1 A 45 45 ARG N N 45 122.487 121.328 1.159 1
1 475 . 2 1 1 A 46 46 ALA H H 46 8.144 8.163 -0.019 1
1 476 . 2 1 1 A 46 46 ALA HA H 46 4.074 4.073 0.001 1
1 480 . 2 1 1 A 46 46 ALA CA C 46 54.865 55.477 -0.612 1
1 481 . 2 1 1 A 46 46 ALA CB C 46 17.777 18.386 -0.609 1
1 482 . 2 1 1 A 46 46 ALA N N 46 121.132 122.208 -1.076 1
1 483 . 2 1 1 A 47 47 GLU H H 47 7.902 8.001 -0.099 1
1 484 . 2 1 1 A 47 47 GLU HA H 47 3.995 4.132 -0.137 1
1 489 . 2 1 1 A 47 47 GLU CA C 47 59.524 59.185 0.339 1
1 490 . 2 1 1 A 47 47 GLU CB C 47 29.915 29.021 0.894 1
1 492 . 2 1 1 A 47 47 GLU N N 47 121.104 116.742 4.362 1
1 493 . 2 1 1 A 48 48 MET H H 48 7.984 8.054 -0.070 1
1 494 . 2 1 1 A 48 48 MET HA H 48 2.786 4.441 -1.655 1
1 499 . 2 1 1 A 48 48 MET CA C 48 59.662 58.668 0.994 1
1 500 . 2 1 1 A 48 48 MET CB C 48 33.701 32.031 1.670 1
1 502 . 2 1 1 A 48 48 MET N N 48 118.769 120.344 -1.575 1
1 503 . 2 1 1 A 49 49 GLN H H 49 8.209 7.703 0.506 1
1 504 . 2 1 1 A 49 49 GLN HA H 49 4.299 4.286 0.013 1
1 511 . 2 1 1 A 49 49 GLN CA C 49 58.669 58.162 0.507 1
1 512 . 2 1 1 A 49 49 GLN CB C 49 28.742 28.242 0.500 1
1 514 . 2 1 1 A 49 49 GLN N N 49 122.155 118.276 3.879 1
1 516 . 2 1 1 A 50 50 GLU H H 50 8.671 7.672 0.999 1
1 517 . 2 1 1 A 50 50 GLU HA H 50 3.904 4.119 -0.215 1
1 522 . 2 1 1 A 50 50 GLU CA C 50 59.156 59.005 0.151 1
1 523 . 2 1 1 A 50 50 GLU CB C 50 29.504 29.618 -0.114 1
1 525 . 2 1 1 A 50 50 GLU N N 50 122.081 120.347 1.734 1
1 526 . 2 1 1 A 51 51 ARG H H 51 8.244 7.986 0.258 1
1 527 . 2 1 1 A 51 51 ARG HA H 51 3.993 4.557 -0.564 1
1 534 . 2 1 1 A 51 51 ARG CA C 51 58.503 57.274 1.229 1
1 535 . 2 1 1 A 51 51 ARG CB C 51 31.363 31.302 0.061 1
1 538 . 2 1 1 A 51 51 ARG N N 51 115.848 118.697 -2.849 1
1 539 . 2 1 1 A 52 52 SER H H 52 7.994 8.209 -0.215 1
1 540 . 2 1 1 A 52 52 SER HA H 52 3.674 4.223 -0.549 1
1 543 . 2 1 1 A 52 52 SER CA C 52 58.897 59.147 -0.250 1
1 544 . 2 1 1 A 52 52 SER CB C 52 66.908 63.854 3.054 1
1 545 . 2 1 1 A 52 52 SER N N 52 109.721 112.287 -2.566 1
1 546 . 2 1 1 A 53 53 GLY H H 53 8.205 8.808 -0.603 1
1 547 . 2 1 1 A 53 53 GLY HA2 H 53 3.815 3.886 -0.071 1
1 548 . 2 1 1 A 53 53 GLY HA3 H 53 4.063 3.913 0.150 1
1 549 . 2 1 1 A 53 53 GLY CA C 53 46.182 46.150 0.032 1
1 550 . 2 1 1 A 53 53 GLY N N 53 112.716 109.286 3.430 1
1 551 . 2 1 1 A 54 54 ARG H H 54 8.323 7.756 0.567 1
1 552 . 2 1 1 A 54 54 ARG HA H 54 4.595 4.787 -0.192 1
1 559 . 2 1 1 A 54 54 ARG CA C 54 54.426 53.952 0.474 1
1 560 . 2 1 1 A 54 54 ARG CB C 54 35.418 34.344 1.074 1
1 563 . 2 1 1 A 54 54 ARG N N 54 119.629 119.428 0.201 1
1 564 . 2 1 1 A 55 55 ASN H H 55 8.184 8.946 -0.762 1
1 565 . 2 1 1 A 55 55 ASN HA H 55 4.692 4.558 0.134 1
1 570 . 2 1 1 A 55 55 ASN CA C 55 51.458 56.038 -4.580 1
1 571 . 2 1 1 A 55 55 ASN N N 55 112.763 119.194 -6.431 1
1 573 . 2 1 1 A 56 56 THR H H 56 6.730 7.769 -1.039 1
1 574 . 2 1 1 A 56 56 THR HA H 56 4.309 4.817 -0.508 1
1 579 . 2 1 1 A 56 56 THR CA C 56 59.120 61.259 -2.139 1
1 580 . 2 1 1 A 56 56 THR CB C 56 70.754 70.992 -0.238 1
1 582 . 2 1 1 A 56 56 THR N N 56 107.946 110.476 -2.530 1
1 583 . 2 1 1 A 57 57 PHE H H 57 8.568 9.029 -0.461 1
1 584 . 2 1 1 A 57 57 PHE HA H 57 4.641 5.140 -0.499 1
1 592 . 2 1 1 A 57 57 PHE CA C 57 54.923 55.342 -0.419 1
1 593 . 2 1 1 A 57 57 PHE CB C 57 41.272 40.642 0.630 1
1 594 . 2 1 1 A 57 57 PHE N N 57 117.566 118.519 -0.953 1
1 595 . 2 1 1 A 58 58 PRO HA H 58 5.604 4.581 1.023 1
1 602 . 2 1 1 A 58 58 PRO CA C 58 62.749 62.598 0.151 1
1 603 . 2 1 1 A 58 58 PRO CB C 58 36.563 31.636 4.927 1
1 606 . 2 1 1 A 59 59 GLN H H 59 7.926 8.313 -0.387 1
1 607 . 2 1 1 A 59 59 GLN HA H 59 4.813 4.657 0.156 1
1 614 . 2 1 1 A 59 59 GLN CA C 59 55.111 55.107 0.004 1
1 615 . 2 1 1 A 59 59 GLN CB C 59 31.737 29.790 1.947 1
1 617 . 2 1 1 A 59 59 GLN N N 59 112.301 121.709 -9.408 1
1 619 . 2 1 1 A 60 60 ILE H H 60 8.936 8.978 -0.042 1
1 620 . 2 1 1 A 60 60 ILE HA H 60 4.933 4.246 0.687 1
1 630 . 2 1 1 A 60 60 ILE CA C 60 61.288 60.096 1.192 1
1 631 . 2 1 1 A 60 60 ILE CB C 60 40.912 38.493 2.419 1
1 635 . 2 1 1 A 60 60 ILE N N 60 123.133 124.101 -0.968 1
1 636 . 2 1 1 A 61 61 PHE H H 61 9.629 8.828 0.801 1
1 637 . 2 1 1 A 61 61 PHE HA H 61 5.354 5.224 0.130 1
1 645 . 2 1 1 A 61 61 PHE CA C 61 56.630 56.994 -0.364 1
1 646 . 2 1 1 A 61 61 PHE CB C 61 41.883 40.285 1.598 1
1 647 . 2 1 1 A 61 61 PHE N N 61 128.347 126.531 1.816 1
1 648 . 2 1 1 A 62 62 ILE H H 62 9.070 8.928 0.142 1
1 649 . 2 1 1 A 62 62 ILE HA H 62 4.587 4.573 0.014 1
1 659 . 2 1 1 A 62 62 ILE CA C 62 60.903 60.253 0.650 1
1 660 . 2 1 1 A 62 62 ILE CB C 62 39.789 39.317 0.472 1
1 664 . 2 1 1 A 62 62 ILE N N 62 122.709 123.746 -1.037 1
1 665 . 2 1 1 A 63 63 GLY H H 63 9.303 8.599 0.704 1
1 666 . 2 1 1 A 63 63 GLY HA2 H 63 3.889 3.885 0.004 1
1 667 . 2 1 1 A 63 63 GLY HA3 H 63 4.081 3.886 0.195 1
1 668 . 2 1 1 A 63 63 GLY CA C 63 47.216 47.353 -0.137 1
1 669 . 2 1 1 A 63 63 GLY N N 63 116.351 118.152 -1.801 1
1 670 . 2 1 1 A 64 64 SER H H 64 9.242 8.039 1.203 1
1 671 . 2 1 1 A 64 64 SER HA H 64 4.525 4.559 -0.034 1
1 674 . 2 1 1 A 64 64 SER CA C 64 59.046 58.121 0.925 1
1 675 . 2 1 1 A 64 64 SER CB C 64 63.900 63.990 -0.090 1
1 676 . 2 1 1 A 64 64 SER N N 64 122.307 121.548 0.759 1
1 677 . 2 1 1 A 65 65 VAL H H 65 8.475 7.620 0.855 1
1 678 . 2 1 1 A 65 65 VAL HA H 65 4.013 4.774 -0.761 1
1 686 . 2 1 1 A 65 65 VAL CA C 65 62.737 60.453 2.284 1
1 687 . 2 1 1 A 65 65 VAL CB C 65 33.308 35.625 -2.317 1
1 690 . 2 1 1 A 65 65 VAL N N 65 124.659 121.532 3.127 1
1 691 . 2 1 1 A 66 66 HIS H H 66 8.968 9.010 -0.042 1
1 692 . 2 1 1 A 66 66 HIS HA H 66 4.337 5.281 -0.944 1
1 698 . 2 1 1 A 66 66 HIS CA C 66 54.409 54.551 -0.142 1
1 699 . 2 1 1 A 66 66 HIS CB C 66 31.099 30.707 0.392 1
1 700 . 2 1 1 A 66 66 HIS N N 66 128.172 126.413 1.759 1
1 701 . 2 1 1 A 67 67 VAL H H 67 8.148 8.847 -0.699 1
1 702 . 2 1 1 A 67 67 VAL HA H 67 3.329 3.658 -0.329 1
1 710 . 2 1 1 A 67 67 VAL CA C 67 64.129 65.502 -1.373 1
1 711 . 2 1 1 A 67 67 VAL CB C 67 32.554 32.220 0.334 1
1 714 . 2 1 1 A 67 67 VAL N N 67 130.509 127.439 3.070 1
1 715 . 2 1 1 A 68 68 GLY H H 68 6.365 7.392 -1.027 1
1 716 . 2 1 1 A 68 68 GLY HA2 H 68 3.003 3.998 -0.995 1
1 717 . 2 1 1 A 68 68 GLY HA3 H 68 4.513 4.120 0.393 1
1 718 . 2 1 1 A 68 68 GLY CA C 68 43.722 46.040 -2.318 1
1 719 . 2 1 1 A 68 68 GLY N N 68 102.729 105.703 -2.974 1
1 720 . 2 1 1 A 69 69 GLY H H 69 9.087 8.533 0.554 1
1 721 . 2 1 1 A 69 69 GLY HA2 H 69 3.752 4.152 -0.400 1
1 722 . 2 1 1 A 69 69 GLY HA3 H 69 4.633 4.370 0.263 1
1 723 . 2 1 1 A 69 69 GLY CA C 69 43.851 45.305 -1.454 1
1 724 . 2 1 1 A 69 69 GLY N N 69 110.274 111.628 -1.354 1
1 725 . 2 1 1 A 70 70 CYS H H 70 8.467 8.924 -0.457 1
1 726 . 2 1 1 A 70 70 CYS HA H 70 3.806 4.087 -0.281 1
1 729 . 2 1 1 A 70 70 CYS CA C 70 63.366 62.533 0.833 1
1 730 . 2 1 1 A 70 70 CYS CB C 70 27.642 26.683 0.959 1
1 731 . 2 1 1 A 70 70 CYS N N 70 118.787 119.197 -0.410 1
1 732 . 2 1 1 A 71 71 ASP HA H 71 4.398 4.249 0.149 1
1 735 . 2 1 1 A 71 71 ASP CA C 71 57.405 57.756 -0.351 1
1 736 . 2 1 1 A 71 71 ASP CB C 71 39.058 41.921 -2.863 1
1 737 . 2 1 1 A 72 72 ASP H H 72 7.266 8.074 -0.808 1
1 738 . 2 1 1 A 72 72 ASP HA H 72 4.285 4.405 -0.120 1
1 741 . 2 1 1 A 72 72 ASP CA C 72 57.322 57.370 -0.048 1
1 742 . 2 1 1 A 72 72 ASP CB C 72 41.553 40.728 0.825 1
1 743 . 2 1 1 A 72 72 ASP N N 72 119.650 119.549 0.101 1
1 744 . 2 1 1 A 73 73 LEU H H 73 7.755 8.547 -0.792 1
1 745 . 2 1 1 A 73 73 LEU HA H 73 3.736 4.091 -0.355 1
1 755 . 2 1 1 A 73 73 LEU CA C 73 58.272 57.968 0.304 1
1 756 . 2 1 1 A 73 73 LEU CB C 73 41.995 41.852 0.143 1
1 760 . 2 1 1 A 73 73 LEU N N 73 121.526 120.653 0.873 1
1 761 . 2 1 1 A 74 74 TYR H H 74 8.244 8.515 -0.271 1
1 762 . 2 1 1 A 74 74 TYR HA H 74 3.697 4.068 -0.371 1
1 769 . 2 1 1 A 74 74 TYR CA C 74 62.802 61.565 1.237 1
1 770 . 2 1 1 A 74 74 TYR CB C 74 37.819 37.754 0.065 1
1 771 . 2 1 1 A 74 74 TYR N N 74 116.552 118.053 -1.501 1
1 772 . 2 1 1 A 75 75 ALA H H 75 8.169 8.288 -0.119 1
1 773 . 2 1 1 A 75 75 ALA HA H 75 4.286 4.173 0.113 1
1 777 . 2 1 1 A 75 75 ALA CA C 75 55.465 54.976 0.489 1
1 778 . 2 1 1 A 75 75 ALA CB C 75 17.722 18.526 -0.804 1
1 779 . 2 1 1 A 75 75 ALA N N 75 122.825 123.162 -0.337 1
1 780 . 2 1 1 A 76 76 LEU H H 76 7.353 8.457 -1.104 1
1 781 . 2 1 1 A 76 76 LEU HA H 76 4.003 4.061 -0.058 1
1 791 . 2 1 1 A 76 76 LEU CA C 76 57.687 57.843 -0.156 1
1 792 . 2 1 1 A 76 76 LEU CB C 76 42.753 41.562 1.191 1
1 796 . 2 1 1 A 76 76 LEU N N 76 116.756 120.624 -3.868 1
1 797 . 2 1 1 A 77 77 GLU H H 77 7.420 8.388 -0.968 1
1 798 . 2 1 1 A 77 77 GLU HA H 77 4.575 4.052 0.523 1
1 803 . 2 1 1 A 77 77 GLU CA C 77 57.962 58.883 -0.921 1
1 804 . 2 1 1 A 77 77 GLU CB C 77 28.292 28.553 -0.261 1
1 806 . 2 1 1 A 77 77 GLU N N 77 121.356 117.730 3.626 1
1 807 . 2 1 1 A 78 78 ASP H H 78 8.637 7.725 0.912 1
1 808 . 2 1 1 A 78 78 ASP HA H 78 4.399 4.398 0.001 1
1 811 . 2 1 1 A 78 78 ASP CA C 78 57.569 56.734 0.835 1
1 812 . 2 1 1 A 78 78 ASP CB C 78 40.715 40.969 -0.254 1
1 813 . 2 1 1 A 78 78 ASP N N 78 123.396 120.613 2.783 1
1 814 . 2 1 1 A 79 79 GLU H H 79 7.773 8.091 -0.318 1
1 815 . 2 1 1 A 79 79 GLU HA H 79 4.283 4.405 -0.122 1
1 820 . 2 1 1 A 79 79 GLU CA C 79 56.357 56.108 0.249 1
1 821 . 2 1 1 A 79 79 GLU CB C 79 30.855 30.994 -0.139 1
1 823 . 2 1 1 A 79 79 GLU N N 79 115.336 116.276 -0.940 1
1 824 . 2 1 1 A 80 80 GLY H H 80 8.050 8.100 -0.050 1
1 825 . 2 1 1 A 80 80 GLY HA2 H 80 4.031 3.978 0.053 1
1 826 . 2 1 1 A 80 80 GLY HA3 H 80 4.031 3.980 0.051 1
1 827 . 2 1 1 A 80 80 GLY CA C 80 46.314 46.072 0.242 1
1 828 . 2 1 1 A 80 80 GLY N N 80 108.957 108.433 0.524 1
1 829 . 2 1 1 A 81 81 LYS H H 81 8.188 7.760 0.428 1
1 830 . 2 1 1 A 81 81 LYS HA H 81 4.415 4.273 0.142 1
1 839 . 2 1 1 A 81 81 LYS CA C 81 56.716 57.720 -1.004 1
1 840 . 2 1 1 A 81 81 LYS CB C 81 35.935 32.398 3.537 1
1 844 . 2 1 1 A 81 81 LYS N N 81 116.879 118.869 -1.990 1
1 845 . 2 1 1 A 82 82 LEU H H 82 7.499 7.927 -0.428 1
1 846 . 2 1 1 A 82 82 LEU HA H 82 3.977 3.968 0.009 1
1 856 . 2 1 1 A 82 82 LEU CA C 82 57.480 58.130 -0.650 1
1 857 . 2 1 1 A 82 82 LEU CB C 82 40.489 41.417 -0.928 1
1 861 . 2 1 1 A 82 82 LEU N N 82 122.734 120.697 2.037 1
1 862 . 2 1 1 A 83 83 ASP H H 83 8.625 8.421 0.204 1
1 863 . 2 1 1 A 83 83 ASP HA H 83 4.248 4.329 -0.081 1
1 866 . 2 1 1 A 83 83 ASP CA C 83 58.680 57.837 0.843 1
1 867 . 2 1 1 A 83 83 ASP CB C 83 40.149 40.448 -0.299 1
1 868 . 2 1 1 A 83 83 ASP N N 83 119.728 119.591 0.137 1
1 869 . 2 1 1 A 84 84 SER H H 84 8.426 7.792 0.634 1
1 870 . 2 1 1 A 84 84 SER HA H 84 4.219 4.290 -0.071 1
1 873 . 2 1 1 A 84 84 SER CA C 84 61.473 61.891 -0.418 1
1 874 . 2 1 1 A 84 84 SER CB C 84 62.589 63.109 -0.520 1
1 875 . 2 1 1 A 84 84 SER N N 84 113.454 115.937 -2.483 1
1 876 . 2 1 1 A 85 85 LEU H H 85 7.551 8.131 -0.580 1
1 877 . 2 1 1 A 85 85 LEU HA H 85 4.319 4.069 0.250 1
1 887 . 2 1 1 A 85 85 LEU CA C 85 58.355 57.922 0.433 1
1 888 . 2 1 1 A 85 85 LEU CB C 85 41.588 41.757 -0.169 1
1 892 . 2 1 1 A 85 85 LEU N N 85 126.500 121.824 4.676 1
1 893 . 2 1 1 A 86 86 LEU H H 86 8.382 7.902 0.480 1
1 894 . 2 1 1 A 86 86 LEU HA H 86 3.827 4.095 -0.268 1
1 904 . 2 1 1 A 86 86 LEU CA C 86 57.826 57.675 0.151 1
1 905 . 2 1 1 A 86 86 LEU CB C 86 41.840 41.405 0.435 1
1 909 . 2 1 1 A 86 86 LEU N N 86 117.962 116.706 1.256 1
1 910 . 2 1 1 A 87 87 LYS H H 87 7.522 7.954 -0.432 1
1 911 . 2 1 1 A 87 87 LYS HA H 87 4.331 4.090 0.241 1
1 920 . 2 1 1 A 87 87 LYS CA C 87 58.325 59.362 -1.037 1
1 921 . 2 1 1 A 87 87 LYS CB C 87 34.043 32.785 1.258 1
1 925 . 2 1 1 A 87 87 LYS N N 87 114.198 118.686 -4.488 1
1 926 . 2 1 1 A 88 88 THR H H 88 8.165 8.304 -0.139 1
1 927 . 2 1 1 A 88 88 THR HA H 88 4.507 4.427 0.080 1
1 932 . 2 1 1 A 88 88 THR CA C 88 62.385 62.586 -0.201 1
1 933 . 2 1 1 A 88 88 THR CB C 88 72.525 70.525 2.000 1
1 935 . 2 1 1 A 88 88 THR N N 88 106.021 108.180 -2.159 1
1 936 . 2 1 1 A 89 89 GLY H H 89 9.139 8.921 0.218 1
1 937 . 2 1 1 A 89 89 GLY HA2 H 89 3.612 3.908 -0.296 1
1 938 . 2 1 1 A 89 89 GLY HA3 H 89 4.204 3.914 0.290 1
1 939 . 2 1 1 A 89 89 GLY CA C 89 46.770 45.684 1.086 1
1 940 . 2 1 1 A 89 89 GLY N N 89 112.926 112.180 0.746 1
1 941 . 2 1 1 A 90 90 LYS H H 90 7.933 7.213 0.720 1
1 942 . 2 1 1 A 90 90 LYS HA H 90 4.459 4.708 -0.249 1
1 951 . 2 1 1 A 90 90 LYS CA C 90 54.576 54.896 -0.320 1
1 952 . 2 1 1 A 90 90 LYS CB C 90 35.788 34.789 0.999 1
1 956 . 2 1 1 A 90 90 LYS N N 90 117.810 115.220 2.590 1
1 957 . 2 1 1 A 91 91 LEU H H 91 8.487 8.805 -0.318 1
1 958 . 2 1 1 A 91 91 LEU HA H 91 4.423 4.456 -0.033 1
1 968 . 2 1 1 A 91 91 LEU CA C 91 54.491 55.012 -0.521 1
1 969 . 2 1 1 A 91 91 LEU CB C 91 43.083 41.336 1.747 1
1 973 . 2 1 1 A 91 91 LEU N N 91 123.364 122.875 0.489 1
1 1 . 3 1 1 A 2 2 PRO HA H 2 4.444 4.485 -0.041 1
1 8 . 3 1 1 A 2 2 PRO CA C 2 63.468 64.120 -0.652 1
1 9 . 3 1 1 A 2 2 PRO CB C 2 32.153 32.163 -0.010 1
1 12 . 3 1 1 A 3 3 GLY H H 3 8.672 7.955 0.717 1
1 13 . 3 1 1 A 3 3 GLY HA2 H 3 4.759 4.040 0.719 1
1 14 . 3 1 1 A 3 3 GLY HA3 H 3 4.759 4.041 0.718 1
1 15 . 3 1 1 A 3 3 GLY CA C 3 45.323 45.711 -0.388 1
1 16 . 3 1 1 A 3 3 GLY N N 3 110.465 109.584 0.881 1
1 17 . 3 1 1 A 4 4 SER H H 4 8.201 7.719 0.482 1
1 18 . 3 1 1 A 4 4 SER HA H 4 4.454 5.114 -0.660 1
1 21 . 3 1 1 A 4 4 SER CA C 4 58.370 56.792 1.578 1
1 22 . 3 1 1 A 4 4 SER CB C 4 64.049 66.425 -2.376 1
1 23 . 3 1 1 A 4 4 SER N N 4 115.747 114.834 0.913 1
1 24 . 3 1 1 A 5 5 MET H H 5 8.315 8.777 -0.462 1
1 25 . 3 1 1 A 5 5 MET HA H 5 4.675 5.011 -0.336 1
1 30 . 3 1 1 A 5 5 MET CA C 5 55.466 54.382 1.084 1
1 31 . 3 1 1 A 5 5 MET CB C 5 34.462 36.228 -1.766 1
1 33 . 3 1 1 A 5 5 MET N N 5 121.679 122.387 -0.708 1
1 34 . 3 1 1 A 6 6 VAL H H 6 8.169 8.743 -0.574 1
1 35 . 3 1 1 A 6 6 VAL HA H 6 4.141 4.775 -0.634 1
1 43 . 3 1 1 A 6 6 VAL CA C 6 61.395 58.976 2.419 1
1 44 . 3 1 1 A 6 6 VAL CB C 6 32.669 35.108 -2.439 1
1 47 . 3 1 1 A 6 6 VAL N N 6 118.330 117.704 0.626 1
1 48 . 3 1 1 A 7 7 ASP H H 7 8.335 8.697 -0.362 1
1 49 . 3 1 1 A 7 7 ASP HA H 7 4.526 4.798 -0.272 1
1 52 . 3 1 1 A 7 7 ASP CA C 7 55.023 54.702 0.321 1
1 53 . 3 1 1 A 7 7 ASP CB C 7 41.455 40.950 0.505 1
1 54 . 3 1 1 A 7 7 ASP N N 7 122.032 122.582 -0.550 1
1 55 . 3 1 1 A 8 8 VAL H H 8 8.662 9.015 -0.353 1
1 56 . 3 1 1 A 8 8 VAL HA H 8 4.947 4.906 0.041 1
1 64 . 3 1 1 A 8 8 VAL CA C 8 61.415 61.892 -0.477 1
1 65 . 3 1 1 A 8 8 VAL CB C 8 33.703 33.081 0.622 1
1 68 . 3 1 1 A 8 8 VAL N N 8 124.216 126.016 -1.800 1
1 69 . 3 1 1 A 9 9 ILE H H 9 9.311 9.364 -0.053 1
1 70 . 3 1 1 A 9 9 ILE HA H 9 4.963 5.213 -0.250 1
1 80 . 3 1 1 A 9 9 ILE CA C 9 59.648 59.812 -0.164 1
1 81 . 3 1 1 A 9 9 ILE CB C 9 41.374 41.370 0.004 1
1 85 . 3 1 1 A 9 9 ILE N N 9 129.869 127.376 2.493 1
1 86 . 3 1 1 A 10 10 ILE H H 10 8.720 9.235 -0.515 1
1 87 . 3 1 1 A 10 10 ILE HA H 10 5.442 5.231 0.211 1
1 97 . 3 1 1 A 10 10 ILE CA C 10 58.153 58.272 -0.119 1
1 98 . 3 1 1 A 10 10 ILE CB C 10 41.947 41.305 0.642 1
1 102 . 3 1 1 A 10 10 ILE N N 10 123.598 127.963 -4.365 1
1 103 . 3 1 1 A 11 11 TYR H H 11 9.340 8.661 0.679 1
1 104 . 3 1 1 A 11 11 TYR HA H 11 5.667 5.640 0.027 1
1 111 . 3 1 1 A 11 11 TYR CA C 11 57.300 56.334 0.966 1
1 112 . 3 1 1 A 11 11 TYR CB C 11 40.550 40.410 0.140 1
1 113 . 3 1 1 A 11 11 TYR N N 11 128.888 127.826 1.062 1
1 114 . 3 1 1 A 12 12 THR H H 12 9.374 8.774 0.600 1
1 115 . 3 1 1 A 12 12 THR HA H 12 5.277 5.017 0.260 1
1 120 . 3 1 1 A 12 12 THR CA C 12 59.567 59.853 -0.286 1
1 121 . 3 1 1 A 12 12 THR CB C 12 72.183 72.468 -0.285 1
1 123 . 3 1 1 A 12 12 THR N N 12 112.083 113.936 -1.853 1
1 124 . 3 1 1 A 13 13 ARG H H 13 7.379 8.216 -0.837 1
1 125 . 3 1 1 A 13 13 ARG HA H 13 4.779 5.123 -0.344 1
1 132 . 3 1 1 A 13 13 ARG CA C 13 52.961 53.383 -0.422 1
1 133 . 3 1 1 A 13 13 ARG CB C 13 31.374 31.895 -0.521 1
1 136 . 3 1 1 A 13 13 ARG N N 13 113.131 120.406 -7.275 1
1 137 . 3 1 1 A 14 14 PRO HA H 14 4.276 4.540 -0.264 1
1 144 . 3 1 1 A 14 14 PRO CA C 14 63.498 62.573 0.925 1
1 145 . 3 1 1 A 14 14 PRO CB C 14 32.015 29.574 2.441 1
1 148 . 3 1 1 A 15 15 GLY H H 15 8.672 8.428 0.244 1
1 149 . 3 1 1 A 15 15 GLY HA2 H 15 3.946 4.117 -0.171 1
1 150 . 3 1 1 A 15 15 GLY HA3 H 15 3.946 4.118 -0.172 1
1 151 . 3 1 1 A 15 15 GLY N N 15 110.274 112.611 -2.337 1
1 152 . 3 1 1 A 16 16 CYS H H 16 6.985 7.739 -0.754 1
1 153 . 3 1 1 A 16 16 CYS HA H 16 4.769 4.897 -0.128 1
1 156 . 3 1 1 A 16 16 CYS CA C 16 56.315 57.104 -0.789 1
1 157 . 3 1 1 A 16 16 CYS CB C 16 31.724 30.878 0.846 1
1 158 . 3 1 1 A 16 16 CYS N N 16 124.357 116.180 8.177 1
1 159 . 3 1 1 A 17 17 PRO HA H 17 4.417 4.334 0.083 1
1 166 . 3 1 1 A 17 17 PRO CA C 17 64.516 65.136 -0.620 1
1 167 . 3 1 1 A 17 17 PRO CB C 17 32.205 31.867 0.338 1
1 170 . 3 1 1 A 18 18 TYR H H 18 9.273 7.918 1.355 1
1 171 . 3 1 1 A 18 18 TYR HA H 18 4.375 4.288 0.087 1
1 178 . 3 1 1 A 18 18 TYR CA C 18 61.227 61.087 0.140 1
1 179 . 3 1 1 A 18 18 TYR CB C 18 38.025 37.343 0.682 1
1 180 . 3 1 1 A 18 18 TYR N N 18 127.619 117.337 10.282 1
1 181 . 3 1 1 A 19 19 CYS H H 19 9.854 8.287 1.567 1
1 182 . 3 1 1 A 19 19 CYS HA H 19 3.870 4.051 -0.181 1
1 185 . 3 1 1 A 19 19 CYS CA C 19 64.810 63.052 1.758 1
1 186 . 3 1 1 A 19 19 CYS CB C 19 29.498 27.266 2.232 1
1 187 . 3 1 1 A 19 19 CYS N N 19 128.016 118.287 9.729 1
1 188 . 3 1 1 A 20 20 ALA H H 20 7.948 7.860 0.088 1
1 189 . 3 1 1 A 20 20 ALA HA H 20 3.995 4.008 -0.013 1
1 193 . 3 1 1 A 20 20 ALA CA C 20 55.804 55.335 0.469 1
1 194 . 3 1 1 A 20 20 ALA CB C 20 18.201 18.493 -0.292 1
1 195 . 3 1 1 A 20 20 ALA N N 20 121.373 122.372 -0.999 1
1 196 . 3 1 1 A 21 21 ARG H H 21 8.064 7.975 0.089 1
1 197 . 3 1 1 A 21 21 ARG HA H 21 4.159 4.051 0.108 1
1 204 . 3 1 1 A 21 21 ARG CA C 21 59.500 59.343 0.157 1
1 205 . 3 1 1 A 21 21 ARG CB C 21 30.535 30.167 0.368 1
1 208 . 3 1 1 A 21 21 ARG N N 21 119.886 117.766 2.120 1
1 209 . 3 1 1 A 22 22 ALA H H 22 8.342 7.904 0.438 1
1 210 . 3 1 1 A 22 22 ALA HA H 22 4.174 4.156 0.018 1
1 214 . 3 1 1 A 22 22 ALA CA C 22 55.658 55.130 0.528 1
1 215 . 3 1 1 A 22 22 ALA CB C 22 19.485 18.409 1.076 1
1 216 . 3 1 1 A 22 22 ALA N N 22 125.852 121.731 4.121 1
1 217 . 3 1 1 A 23 23 LYS H H 23 7.968 8.364 -0.396 1
1 218 . 3 1 1 A 23 23 LYS HA H 23 3.243 3.811 -0.568 1
1 227 . 3 1 1 A 23 23 LYS CA C 23 60.699 59.387 1.312 1
1 228 . 3 1 1 A 23 23 LYS CB C 23 31.640 32.358 -0.718 1
1 232 . 3 1 1 A 23 23 LYS N N 23 116.539 117.683 -1.144 1
1 233 . 3 1 1 A 24 24 ALA H H 24 8.027 8.016 0.011 1
1 234 . 3 1 1 A 24 24 ALA HA H 24 4.152 4.169 -0.017 1
1 238 . 3 1 1 A 24 24 ALA CA C 24 55.067 55.230 -0.163 1
1 239 . 3 1 1 A 24 24 ALA CB C 24 18.039 18.515 -0.476 1
1 240 . 3 1 1 A 24 24 ALA N N 24 120.099 122.529 -2.430 1
1 241 . 3 1 1 A 25 25 LEU H H 25 7.184 8.251 -1.067 1
1 242 . 3 1 1 A 25 25 LEU HA H 25 4.089 4.159 -0.070 1
1 252 . 3 1 1 A 25 25 LEU CA C 25 57.761 58.130 -0.369 1
1 253 . 3 1 1 A 25 25 LEU CB C 25 40.444 41.574 -1.130 1
1 257 . 3 1 1 A 25 25 LEU N N 25 119.676 119.640 0.036 1
1 258 . 3 1 1 A 26 26 LEU H H 26 7.477 8.400 -0.923 1
1 259 . 3 1 1 A 26 26 LEU HA H 26 3.701 3.897 -0.196 1
1 269 . 3 1 1 A 26 26 LEU CA C 26 58.523 58.228 0.295 1
1 270 . 3 1 1 A 26 26 LEU CB C 26 41.105 41.527 -0.422 1
1 274 . 3 1 1 A 26 26 LEU N N 26 117.225 118.646 -1.421 1
1 275 . 3 1 1 A 27 27 ALA H H 27 8.657 8.689 -0.032 1
1 276 . 3 1 1 A 27 27 ALA HA H 27 4.368 3.981 0.387 1
1 280 . 3 1 1 A 27 27 ALA CA C 27 55.066 55.088 -0.022 1
1 281 . 3 1 1 A 27 27 ALA CB C 27 18.137 18.517 -0.380 1
1 282 . 3 1 1 A 27 27 ALA N N 27 119.692 120.810 -1.118 1
1 283 . 3 1 1 A 28 28 ARG H H 28 8.048 7.757 0.291 1
1 284 . 3 1 1 A 28 28 ARG HA H 28 4.110 4.079 0.031 1
1 291 . 3 1 1 A 28 28 ARG CA C 28 59.249 58.682 0.567 1
1 292 . 3 1 1 A 28 28 ARG CB C 28 29.962 29.597 0.365 1
1 295 . 3 1 1 A 28 28 ARG N N 28 121.433 118.437 2.996 1
1 296 . 3 1 1 A 29 29 LYS H H 29 7.660 7.901 -0.241 1
1 297 . 3 1 1 A 29 29 LYS HA H 29 4.192 4.330 -0.138 1
1 306 . 3 1 1 A 29 29 LYS CA C 29 54.864 55.961 -1.097 1
1 307 . 3 1 1 A 29 29 LYS CB C 29 31.476 33.226 -1.750 1
1 311 . 3 1 1 A 29 29 LYS N N 29 115.942 116.188 -0.246 1
1 312 . 3 1 1 A 30 30 GLY H H 30 7.919 7.820 0.099 1
1 313 . 3 1 1 A 30 30 GLY HA2 H 30 3.734 3.929 -0.195 1
1 314 . 3 1 1 A 30 30 GLY HA3 H 30 4.013 3.929 0.084 1
1 315 . 3 1 1 A 30 30 GLY CA C 30 45.497 45.715 -0.218 1
1 316 . 3 1 1 A 30 30 GLY N N 30 107.837 108.457 -0.620 1
1 317 . 3 1 1 A 31 31 ALA H H 31 7.830 7.534 0.296 1
1 318 . 3 1 1 A 31 31 ALA HA H 31 4.446 4.475 -0.029 1
1 322 . 3 1 1 A 31 31 ALA CA C 31 51.562 51.380 0.182 1
1 323 . 3 1 1 A 31 31 ALA CB C 31 19.964 20.058 -0.094 1
1 324 . 3 1 1 A 31 31 ALA N N 31 122.333 123.340 -1.007 1
1 325 . 3 1 1 A 32 32 GLU H H 32 8.322 8.526 -0.204 1
1 326 . 3 1 1 A 32 32 GLU HA H 32 4.173 4.254 -0.081 1
1 331 . 3 1 1 A 32 32 GLU CA C 32 55.621 56.377 -0.756 1
1 332 . 3 1 1 A 32 32 GLU CB C 32 29.734 30.013 -0.279 1
1 334 . 3 1 1 A 32 32 GLU N N 32 124.383 123.817 0.566 1
1 335 . 3 1 1 A 33 33 PHE H H 33 7.623 8.498 -0.875 1
1 336 . 3 1 1 A 33 33 PHE HA H 33 5.151 5.199 -0.048 1
1 344 . 3 1 1 A 33 33 PHE CA C 33 55.106 56.119 -1.013 1
1 345 . 3 1 1 A 33 33 PHE CB C 33 41.937 41.956 -0.019 1
1 346 . 3 1 1 A 33 33 PHE N N 33 116.953 116.843 0.110 1
1 347 . 3 1 1 A 34 34 ASN H H 34 8.938 8.766 0.172 1
1 348 . 3 1 1 A 34 34 ASN HA H 34 4.897 4.949 -0.052 1
1 353 . 3 1 1 A 34 34 ASN CA C 34 52.081 53.382 -1.301 1
1 354 . 3 1 1 A 34 34 ASN CB C 34 39.784 39.424 0.360 1
1 355 . 3 1 1 A 34 34 ASN N N 34 120.410 120.540 -0.130 1
1 357 . 3 1 1 A 35 35 GLU H H 35 8.764 8.918 -0.154 1
1 358 . 3 1 1 A 35 35 GLU HA H 35 5.135 4.951 0.184 1
1 363 . 3 1 1 A 35 35 GLU CA C 35 54.519 55.984 -1.465 1
1 364 . 3 1 1 A 35 35 GLU CB C 35 31.306 30.787 0.519 1
1 366 . 3 1 1 A 35 35 GLU N N 35 126.769 127.463 -0.694 1
1 367 . 3 1 1 A 36 36 ILE H H 36 8.975 8.739 0.236 1
1 368 . 3 1 1 A 36 36 ILE HA H 36 4.108 4.734 -0.626 1
1 378 . 3 1 1 A 36 36 ILE CA C 36 60.156 58.913 1.243 1
1 379 . 3 1 1 A 36 36 ILE CB C 36 40.382 41.689 -1.307 1
1 383 . 3 1 1 A 36 36 ILE N N 36 130.393 127.270 3.123 1
1 384 . 3 1 1 A 37 37 ASP H H 37 8.494 8.636 -0.142 1
1 385 . 3 1 1 A 37 37 ASP HA H 37 4.965 5.182 -0.217 1
1 388 . 3 1 1 A 37 37 ASP CA C 37 52.537 52.951 -0.414 1
1 389 . 3 1 1 A 37 37 ASP CB C 37 39.350 43.637 -4.287 1
1 390 . 3 1 1 A 37 37 ASP N N 37 125.910 125.914 -0.004 1
1 391 . 3 1 1 A 38 38 ALA H H 38 8.764 8.056 0.708 1
1 392 . 3 1 1 A 38 38 ALA HA H 38 4.621 4.348 0.273 1
1 396 . 3 1 1 A 38 38 ALA CA C 38 51.729 52.881 -1.152 1
1 397 . 3 1 1 A 38 38 ALA CB C 38 20.588 21.021 -0.433 1
1 398 . 3 1 1 A 38 38 ALA N N 38 130.164 128.238 1.926 1
1 399 . 3 1 1 A 39 39 SER H H 39 8.668 7.853 0.815 1
1 400 . 3 1 1 A 39 39 SER HA H 39 4.469 4.084 0.385 1
1 403 . 3 1 1 A 39 39 SER CA C 39 59.342 61.118 -1.776 1
1 404 . 3 1 1 A 39 39 SER CB C 39 64.938 63.059 1.879 1
1 405 . 3 1 1 A 39 39 SER N N 39 111.397 113.767 -2.370 1
1 406 . 3 1 1 A 40 40 ALA H H 40 7.466 7.779 -0.313 1
1 407 . 3 1 1 A 40 40 ALA HA H 40 4.136 4.067 0.069 1
1 411 . 3 1 1 A 40 40 ALA CA C 40 55.000 55.102 -0.102 1
1 412 . 3 1 1 A 40 40 ALA CB C 40 20.463 19.008 1.455 1
1 413 . 3 1 1 A 40 40 ALA N N 40 124.335 122.023 2.312 1
1 414 . 3 1 1 A 41 41 THR H H 41 7.098 7.412 -0.314 1
1 415 . 3 1 1 A 41 41 THR HA H 41 4.978 4.871 0.107 1
1 420 . 3 1 1 A 41 41 THR CA C 41 57.841 58.755 -0.914 1
1 421 . 3 1 1 A 41 41 THR CB C 41 70.742 70.928 -0.186 1
1 423 . 3 1 1 A 41 41 THR N N 41 105.166 107.775 -2.609 1
1 424 . 3 1 1 A 42 42 PRO HA H 42 4.299 4.339 -0.040 1
1 431 . 3 1 1 A 42 42 PRO CA C 42 64.586 65.350 -0.764 1
1 432 . 3 1 1 A 42 42 PRO CB C 42 31.963 31.944 0.019 1
1 435 . 3 1 1 A 43 43 GLU H H 43 8.997 8.461 0.536 1
1 436 . 3 1 1 A 43 43 GLU HA H 43 4.052 4.089 -0.037 1
1 441 . 3 1 1 A 43 43 GLU CA C 43 60.694 59.782 0.912 1
1 442 . 3 1 1 A 43 43 GLU CB C 43 28.709 29.163 -0.454 1
1 444 . 3 1 1 A 43 43 GLU N N 43 118.804 118.064 0.740 1
1 445 . 3 1 1 A 44 44 LEU H H 44 7.882 8.491 -0.609 1
1 446 . 3 1 1 A 44 44 LEU HA H 44 4.285 4.115 0.170 1
1 456 . 3 1 1 A 44 44 LEU CA C 44 57.573 57.704 -0.131 1
1 457 . 3 1 1 A 44 44 LEU CB C 44 42.548 41.111 1.437 1
1 461 . 3 1 1 A 44 44 LEU N N 44 122.381 120.180 2.201 1
1 462 . 3 1 1 A 45 45 ARG H H 45 7.709 7.645 0.064 1
1 463 . 3 1 1 A 45 45 ARG HA H 45 4.026 4.126 -0.100 1
1 470 . 3 1 1 A 45 45 ARG CA C 45 60.055 59.026 1.029 1
1 471 . 3 1 1 A 45 45 ARG CB C 45 29.943 29.542 0.401 1
1 474 . 3 1 1 A 45 45 ARG N N 45 122.487 121.447 1.040 1
1 475 . 3 1 1 A 46 46 ALA H H 46 8.144 8.042 0.102 1
1 476 . 3 1 1 A 46 46 ALA HA H 46 4.074 4.323 -0.249 1
1 480 . 3 1 1 A 46 46 ALA CA C 46 54.865 55.467 -0.602 1
1 481 . 3 1 1 A 46 46 ALA CB C 46 17.777 18.397 -0.620 1
1 482 . 3 1 1 A 46 46 ALA N N 46 121.132 122.461 -1.329 1
1 483 . 3 1 1 A 47 47 GLU H H 47 7.902 7.955 -0.053 1
1 484 . 3 1 1 A 47 47 GLU HA H 47 3.995 4.063 -0.068 1
1 489 . 3 1 1 A 47 47 GLU CA C 47 59.524 59.262 0.262 1
1 490 . 3 1 1 A 47 47 GLU CB C 47 29.915 28.854 1.061 1
1 492 . 3 1 1 A 47 47 GLU N N 47 121.104 116.738 4.366 1
1 493 . 3 1 1 A 48 48 MET H H 48 7.984 7.673 0.311 1
1 494 . 3 1 1 A 48 48 MET HA H 48 2.786 4.333 -1.547 1
1 499 . 3 1 1 A 48 48 MET CA C 48 59.662 58.254 1.408 1
1 500 . 3 1 1 A 48 48 MET CB C 48 33.701 32.364 1.337 1
1 502 . 3 1 1 A 48 48 MET N N 48 118.769 120.485 -1.716 1
1 503 . 3 1 1 A 49 49 GLN H H 49 8.209 8.767 -0.558 1
1 504 . 3 1 1 A 49 49 GLN HA H 49 4.299 4.222 0.077 1
1 511 . 3 1 1 A 49 49 GLN CA C 49 58.669 57.913 0.756 1
1 512 . 3 1 1 A 49 49 GLN CB C 49 28.742 27.248 1.494 1
1 514 . 3 1 1 A 49 49 GLN N N 49 122.155 117.484 4.671 1
1 516 . 3 1 1 A 50 50 GLU H H 50 8.671 8.020 0.651 1
1 517 . 3 1 1 A 50 50 GLU HA H 50 3.904 4.050 -0.146 1
1 522 . 3 1 1 A 50 50 GLU CA C 50 59.156 59.152 0.004 1
1 523 . 3 1 1 A 50 50 GLU CB C 50 29.504 29.402 0.102 1
1 525 . 3 1 1 A 50 50 GLU N N 50 122.081 120.546 1.535 1
1 526 . 3 1 1 A 51 51 ARG H H 51 8.244 7.736 0.508 1
1 527 . 3 1 1 A 51 51 ARG HA H 51 3.993 4.103 -0.110 1
1 534 . 3 1 1 A 51 51 ARG CA C 51 58.503 59.112 -0.609 1
1 535 . 3 1 1 A 51 51 ARG CB C 51 31.363 30.226 1.137 1
1 538 . 3 1 1 A 51 51 ARG N N 51 115.848 119.630 -3.782 1
1 539 . 3 1 1 A 52 52 SER H H 52 7.994 7.738 0.256 1
1 540 . 3 1 1 A 52 52 SER HA H 52 3.674 4.155 -0.481 1
1 543 . 3 1 1 A 52 52 SER CA C 52 58.897 59.194 -0.297 1
1 544 . 3 1 1 A 52 52 SER CB C 52 66.908 64.222 2.686 1
1 545 . 3 1 1 A 52 52 SER N N 52 109.721 112.091 -2.370 1
1 546 . 3 1 1 A 53 53 GLY H H 53 8.205 9.028 -0.823 1
1 547 . 3 1 1 A 53 53 GLY HA2 H 53 3.815 3.834 -0.019 1
1 548 . 3 1 1 A 53 53 GLY HA3 H 53 4.063 3.863 0.200 1
1 549 . 3 1 1 A 53 53 GLY CA C 53 46.182 45.656 0.526 1
1 550 . 3 1 1 A 53 53 GLY N N 53 112.716 111.492 1.224 1
1 551 . 3 1 1 A 54 54 ARG H H 54 8.323 7.548 0.775 1
1 552 . 3 1 1 A 54 54 ARG HA H 54 4.595 4.791 -0.196 1
1 559 . 3 1 1 A 54 54 ARG CA C 54 54.426 53.913 0.513 1
1 560 . 3 1 1 A 54 54 ARG CB C 54 35.418 33.980 1.438 1
1 563 . 3 1 1 A 54 54 ARG N N 54 119.629 119.909 -0.280 1
1 564 . 3 1 1 A 55 55 ASN H H 55 8.184 8.858 -0.674 1
1 565 . 3 1 1 A 55 55 ASN HA H 55 4.692 4.542 0.150 1
1 570 . 3 1 1 A 55 55 ASN CA C 55 51.458 55.914 -4.456 1
1 571 . 3 1 1 A 55 55 ASN N N 55 112.763 119.147 -6.384 1
1 573 . 3 1 1 A 56 56 THR H H 56 6.730 7.798 -1.068 1
1 574 . 3 1 1 A 56 56 THR HA H 56 4.309 4.828 -0.519 1
1 579 . 3 1 1 A 56 56 THR CA C 56 59.120 61.217 -2.097 1
1 580 . 3 1 1 A 56 56 THR CB C 56 70.754 70.970 -0.216 1
1 582 . 3 1 1 A 56 56 THR N N 56 107.946 110.248 -2.302 1
1 583 . 3 1 1 A 57 57 PHE H H 57 8.568 9.004 -0.436 1
1 584 . 3 1 1 A 57 57 PHE HA H 57 4.641 5.051 -0.410 1
1 592 . 3 1 1 A 57 57 PHE CA C 57 54.923 55.274 -0.351 1
1 593 . 3 1 1 A 57 57 PHE CB C 57 41.272 40.577 0.695 1
1 594 . 3 1 1 A 57 57 PHE N N 57 117.566 118.472 -0.906 1
1 595 . 3 1 1 A 58 58 PRO HA H 58 5.604 4.594 1.010 1
1 602 . 3 1 1 A 58 58 PRO CA C 58 62.749 62.559 0.190 1
1 603 . 3 1 1 A 58 58 PRO CB C 58 36.563 31.641 4.922 1
1 606 . 3 1 1 A 59 59 GLN H H 59 7.926 8.372 -0.446 1
1 607 . 3 1 1 A 59 59 GLN HA H 59 4.813 4.692 0.121 1
1 614 . 3 1 1 A 59 59 GLN CA C 59 55.111 55.123 -0.012 1
1 615 . 3 1 1 A 59 59 GLN CB C 59 31.737 29.872 1.865 1
1 617 . 3 1 1 A 59 59 GLN N N 59 112.301 121.648 -9.347 1
1 619 . 3 1 1 A 60 60 ILE H H 60 8.936 9.017 -0.081 1
1 620 . 3 1 1 A 60 60 ILE HA H 60 4.933 4.244 0.689 1
1 630 . 3 1 1 A 60 60 ILE CA C 60 61.288 60.094 1.194 1
1 631 . 3 1 1 A 60 60 ILE CB C 60 40.912 38.559 2.353 1
1 635 . 3 1 1 A 60 60 ILE N N 60 123.133 124.131 -0.998 1
1 636 . 3 1 1 A 61 61 PHE H H 61 9.629 8.920 0.709 1
1 637 . 3 1 1 A 61 61 PHE HA H 61 5.354 5.215 0.139 1
1 645 . 3 1 1 A 61 61 PHE CA C 61 56.630 56.998 -0.368 1
1 646 . 3 1 1 A 61 61 PHE CB C 61 41.883 40.295 1.588 1
1 647 . 3 1 1 A 61 61 PHE N N 61 128.347 126.704 1.643 1
1 648 . 3 1 1 A 62 62 ILE H H 62 9.070 8.911 0.159 1
1 649 . 3 1 1 A 62 62 ILE HA H 62 4.587 4.575 0.012 1
1 659 . 3 1 1 A 62 62 ILE CA C 62 60.903 60.260 0.643 1
1 660 . 3 1 1 A 62 62 ILE CB C 62 39.789 39.306 0.483 1
1 664 . 3 1 1 A 62 62 ILE N N 62 122.709 123.715 -1.006 1
1 665 . 3 1 1 A 63 63 GLY H H 63 9.303 9.046 0.257 1
1 666 . 3 1 1 A 63 63 GLY HA2 H 63 3.889 3.887 0.002 1
1 667 . 3 1 1 A 63 63 GLY HA3 H 63 4.081 3.887 0.194 1
1 668 . 3 1 1 A 63 63 GLY CA C 63 47.216 47.354 -0.138 1
1 669 . 3 1 1 A 63 63 GLY N N 63 116.351 118.133 -1.782 1
1 670 . 3 1 1 A 64 64 SER H H 64 9.242 8.305 0.937 1
1 671 . 3 1 1 A 64 64 SER HA H 64 4.525 4.626 -0.101 1
1 674 . 3 1 1 A 64 64 SER CA C 64 59.046 57.582 1.464 1
1 675 . 3 1 1 A 64 64 SER CB C 64 63.900 63.952 -0.052 1
1 676 . 3 1 1 A 64 64 SER N N 64 122.307 121.261 1.046 1
1 677 . 3 1 1 A 65 65 VAL H H 65 8.475 7.622 0.853 1
1 678 . 3 1 1 A 65 65 VAL HA H 65 4.013 4.766 -0.753 1
1 686 . 3 1 1 A 65 65 VAL CA C 65 62.737 60.450 2.287 1
1 687 . 3 1 1 A 65 65 VAL CB C 65 33.308 35.676 -2.368 1
1 690 . 3 1 1 A 65 65 VAL N N 65 124.659 120.767 3.892 1
1 691 . 3 1 1 A 66 66 HIS H H 66 8.968 9.007 -0.039 1
1 692 . 3 1 1 A 66 66 HIS HA H 66 4.337 5.307 -0.970 1
1 698 . 3 1 1 A 66 66 HIS CA C 66 54.409 54.635 -0.226 1
1 699 . 3 1 1 A 66 66 HIS CB C 66 31.099 30.517 0.582 1
1 700 . 3 1 1 A 66 66 HIS N N 66 128.172 126.336 1.836 1
1 701 . 3 1 1 A 67 67 VAL H H 67 8.148 8.874 -0.726 1
1 702 . 3 1 1 A 67 67 VAL HA H 67 3.329 3.668 -0.339 1
1 710 . 3 1 1 A 67 67 VAL CA C 67 64.129 65.516 -1.387 1
1 711 . 3 1 1 A 67 67 VAL CB C 67 32.554 32.200 0.354 1
1 714 . 3 1 1 A 67 67 VAL N N 67 130.509 127.461 3.048 1
1 715 . 3 1 1 A 68 68 GLY H H 68 6.365 7.440 -1.075 1
1 716 . 3 1 1 A 68 68 GLY HA2 H 68 3.003 4.053 -1.050 1
1 717 . 3 1 1 A 68 68 GLY HA3 H 68 4.513 4.146 0.367 1
1 718 . 3 1 1 A 68 68 GLY CA C 68 43.722 46.088 -2.366 1
1 719 . 3 1 1 A 68 68 GLY N N 68 102.729 105.772 -3.043 1
1 720 . 3 1 1 A 69 69 GLY H H 69 9.087 8.412 0.675 1
1 721 . 3 1 1 A 69 69 GLY HA2 H 69 3.752 4.180 -0.428 1
1 722 . 3 1 1 A 69 69 GLY HA3 H 69 4.633 4.442 0.191 1
1 723 . 3 1 1 A 69 69 GLY CA C 69 43.851 45.565 -1.714 1
1 724 . 3 1 1 A 69 69 GLY N N 69 110.274 110.975 -0.701 1
1 725 . 3 1 1 A 70 70 CYS H H 70 8.467 8.991 -0.524 1
1 726 . 3 1 1 A 70 70 CYS HA H 70 3.806 4.121 -0.315 1
1 729 . 3 1 1 A 70 70 CYS CA C 70 63.366 62.571 0.795 1
1 730 . 3 1 1 A 70 70 CYS CB C 70 27.642 26.763 0.879 1
1 731 . 3 1 1 A 70 70 CYS N N 70 118.787 118.650 0.137 1
1 732 . 3 1 1 A 71 71 ASP HA H 71 4.398 4.284 0.114 1
1 735 . 3 1 1 A 71 71 ASP CA C 71 57.405 57.797 -0.392 1
1 736 . 3 1 1 A 71 71 ASP CB C 71 39.058 42.007 -2.949 1
1 737 . 3 1 1 A 72 72 ASP H H 72 7.266 8.087 -0.821 1
1 738 . 3 1 1 A 72 72 ASP HA H 72 4.285 4.433 -0.148 1
1 741 . 3 1 1 A 72 72 ASP CA C 72 57.322 57.391 -0.069 1
1 742 . 3 1 1 A 72 72 ASP CB C 72 41.553 40.795 0.758 1
1 743 . 3 1 1 A 72 72 ASP N N 72 119.650 119.539 0.111 1
1 744 . 3 1 1 A 73 73 LEU H H 73 7.755 8.570 -0.815 1
1 745 . 3 1 1 A 73 73 LEU HA H 73 3.736 4.108 -0.372 1
1 755 . 3 1 1 A 73 73 LEU CA C 73 58.272 57.905 0.367 1
1 756 . 3 1 1 A 73 73 LEU CB C 73 41.995 41.788 0.207 1
1 760 . 3 1 1 A 73 73 LEU N N 73 121.526 120.583 0.943 1
1 761 . 3 1 1 A 74 74 TYR H H 74 8.244 8.380 -0.136 1
1 762 . 3 1 1 A 74 74 TYR HA H 74 3.697 4.100 -0.403 1
1 769 . 3 1 1 A 74 74 TYR CA C 74 62.802 61.490 1.312 1
1 770 . 3 1 1 A 74 74 TYR CB C 74 37.819 37.898 -0.079 1
1 771 . 3 1 1 A 74 74 TYR N N 74 116.552 118.048 -1.496 1
1 772 . 3 1 1 A 75 75 ALA H H 75 8.169 8.285 -0.116 1
1 773 . 3 1 1 A 75 75 ALA HA H 75 4.286 4.182 0.104 1
1 777 . 3 1 1 A 75 75 ALA CA C 75 55.465 54.981 0.484 1
1 778 . 3 1 1 A 75 75 ALA CB C 75 17.722 18.536 -0.814 1
1 779 . 3 1 1 A 75 75 ALA N N 75 122.825 123.300 -0.475 1
1 780 . 3 1 1 A 76 76 LEU H H 76 7.353 8.498 -1.145 1
1 781 . 3 1 1 A 76 76 LEU HA H 76 4.003 4.064 -0.061 1
1 791 . 3 1 1 A 76 76 LEU CA C 76 57.687 57.842 -0.155 1
1 792 . 3 1 1 A 76 76 LEU CB C 76 42.753 41.620 1.133 1
1 796 . 3 1 1 A 76 76 LEU N N 76 116.756 120.639 -3.883 1
1 797 . 3 1 1 A 77 77 GLU H H 77 7.420 8.335 -0.915 1
1 798 . 3 1 1 A 77 77 GLU HA H 77 4.575 4.051 0.524 1
1 803 . 3 1 1 A 77 77 GLU CA C 77 57.962 58.783 -0.821 1
1 804 . 3 1 1 A 77 77 GLU CB C 77 28.292 28.564 -0.272 1
1 806 . 3 1 1 A 77 77 GLU N N 77 121.356 117.753 3.603 1
1 807 . 3 1 1 A 78 78 ASP H H 78 8.637 7.711 0.926 1
1 808 . 3 1 1 A 78 78 ASP HA H 78 4.399 4.397 0.002 1
1 811 . 3 1 1 A 78 78 ASP CA C 78 57.569 56.725 0.844 1
1 812 . 3 1 1 A 78 78 ASP CB C 78 40.715 40.943 -0.228 1
1 813 . 3 1 1 A 78 78 ASP N N 78 123.396 120.664 2.732 1
1 814 . 3 1 1 A 79 79 GLU H H 79 7.773 8.013 -0.240 1
1 815 . 3 1 1 A 79 79 GLU HA H 79 4.283 4.395 -0.112 1
1 820 . 3 1 1 A 79 79 GLU CA C 79 56.357 56.224 0.133 1
1 821 . 3 1 1 A 79 79 GLU CB C 79 30.855 30.902 -0.047 1
1 823 . 3 1 1 A 79 79 GLU N N 79 115.336 116.263 -0.927 1
1 824 . 3 1 1 A 80 80 GLY H H 80 8.050 7.885 0.165 1
1 825 . 3 1 1 A 80 80 GLY HA2 H 80 4.031 3.986 0.045 1
1 826 . 3 1 1 A 80 80 GLY HA3 H 80 4.031 3.987 0.044 1
1 827 . 3 1 1 A 80 80 GLY CA C 80 46.314 46.028 0.286 1
1 828 . 3 1 1 A 80 80 GLY N N 80 108.957 108.444 0.513 1
1 829 . 3 1 1 A 81 81 LYS H H 81 8.188 7.671 0.517 1
1 830 . 3 1 1 A 81 81 LYS HA H 81 4.415 4.282 0.133 1
1 839 . 3 1 1 A 81 81 LYS CA C 81 56.716 57.827 -1.111 1
1 840 . 3 1 1 A 81 81 LYS CB C 81 35.935 32.517 3.418 1
1 844 . 3 1 1 A 81 81 LYS N N 81 116.879 119.435 -2.556 1
1 845 . 3 1 1 A 82 82 LEU H H 82 7.499 8.239 -0.740 1
1 846 . 3 1 1 A 82 82 LEU HA H 82 3.977 4.014 -0.037 1
1 856 . 3 1 1 A 82 82 LEU CA C 82 57.480 58.003 -0.523 1
1 857 . 3 1 1 A 82 82 LEU CB C 82 40.489 41.400 -0.911 1
1 861 . 3 1 1 A 82 82 LEU N N 82 122.734 122.369 0.365 1
1 862 . 3 1 1 A 83 83 ASP H H 83 8.625 8.343 0.282 1
1 863 . 3 1 1 A 83 83 ASP HA H 83 4.248 4.331 -0.083 1
1 866 . 3 1 1 A 83 83 ASP CA C 83 58.680 57.588 1.092 1
1 867 . 3 1 1 A 83 83 ASP CB C 83 40.149 40.617 -0.468 1
1 868 . 3 1 1 A 83 83 ASP N N 83 119.728 118.315 1.413 1
1 869 . 3 1 1 A 84 84 SER H H 84 8.426 7.886 0.540 1
1 870 . 3 1 1 A 84 84 SER HA H 84 4.219 4.313 -0.094 1
1 873 . 3 1 1 A 84 84 SER CA C 84 61.473 61.648 -0.175 1
1 874 . 3 1 1 A 84 84 SER CB C 84 62.589 63.280 -0.691 1
1 875 . 3 1 1 A 84 84 SER N N 84 113.454 115.955 -2.501 1
1 876 . 3 1 1 A 85 85 LEU H H 85 7.551 7.915 -0.364 1
1 877 . 3 1 1 A 85 85 LEU HA H 85 4.319 4.106 0.213 1
1 887 . 3 1 1 A 85 85 LEU CA C 85 58.355 57.611 0.744 1
1 888 . 3 1 1 A 85 85 LEU CB C 85 41.588 41.503 0.085 1
1 892 . 3 1 1 A 85 85 LEU N N 85 126.500 122.089 4.411 1
1 893 . 3 1 1 A 86 86 LEU H H 86 8.382 7.906 0.476 1
1 894 . 3 1 1 A 86 86 LEU HA H 86 3.827 4.094 -0.267 1
1 904 . 3 1 1 A 86 86 LEU CA C 86 57.826 57.679 0.147 1
1 905 . 3 1 1 A 86 86 LEU CB C 86 41.840 41.383 0.457 1
1 909 . 3 1 1 A 86 86 LEU N N 86 117.962 116.267 1.695 1
1 910 . 3 1 1 A 87 87 LYS H H 87 7.522 7.559 -0.037 1
1 911 . 3 1 1 A 87 87 LYS HA H 87 4.331 4.070 0.261 1
1 920 . 3 1 1 A 87 87 LYS CA C 87 58.325 59.197 -0.872 1
1 921 . 3 1 1 A 87 87 LYS CB C 87 34.043 32.643 1.400 1
1 925 . 3 1 1 A 87 87 LYS N N 87 114.198 119.012 -4.814 1
1 926 . 3 1 1 A 88 88 THR H H 88 8.165 8.136 0.029 1
1 927 . 3 1 1 A 88 88 THR HA H 88 4.507 4.428 0.079 1
1 932 . 3 1 1 A 88 88 THR CA C 88 62.385 62.589 -0.204 1
1 933 . 3 1 1 A 88 88 THR CB C 88 72.525 70.521 2.004 1
1 935 . 3 1 1 A 88 88 THR N N 88 106.021 108.792 -2.771 1
1 936 . 3 1 1 A 89 89 GLY H H 89 9.139 8.712 0.427 1
1 937 . 3 1 1 A 89 89 GLY HA2 H 89 3.612 3.910 -0.298 1
1 938 . 3 1 1 A 89 89 GLY HA3 H 89 4.204 3.916 0.288 1
1 939 . 3 1 1 A 89 89 GLY CA C 89 46.770 45.663 1.107 1
1 940 . 3 1 1 A 89 89 GLY N N 89 112.926 111.926 1.000 1
1 941 . 3 1 1 A 90 90 LYS H H 90 7.933 7.602 0.331 1
1 942 . 3 1 1 A 90 90 LYS HA H 90 4.459 5.001 -0.542 1
1 951 . 3 1 1 A 90 90 LYS CA C 90 54.576 54.001 0.575 1
1 952 . 3 1 1 A 90 90 LYS CB C 90 35.788 36.382 -0.594 1
1 956 . 3 1 1 A 90 90 LYS N N 90 117.810 120.098 -2.288 1
1 957 . 3 1 1 A 91 91 LEU H H 91 8.487 8.736 -0.249 1
1 958 . 3 1 1 A 91 91 LEU HA H 91 4.423 4.254 0.169 1
1 968 . 3 1 1 A 91 91 LEU CA C 91 54.491 54.724 -0.233 1
1 969 . 3 1 1 A 91 91 LEU CB C 91 43.083 40.735 2.348 1
1 973 . 3 1 1 A 91 91 LEU N N 91 123.364 122.842 0.522 1
1 1 . 4 1 1 A 2 2 PRO HA H 2 4.444 4.598 -0.154 1
1 8 . 4 1 1 A 2 2 PRO CA C 2 63.468 62.961 0.507 1
1 9 . 4 1 1 A 2 2 PRO CB C 2 32.153 30.352 1.801 1
1 12 . 4 1 1 A 3 3 GLY H H 3 8.672 7.721 0.951 1
1 13 . 4 1 1 A 3 3 GLY HA2 H 3 4.759 4.212 0.547 1
1 14 . 4 1 1 A 3 3 GLY HA3 H 3 4.759 4.212 0.547 1
1 15 . 4 1 1 A 3 3 GLY CA C 3 45.323 46.199 -0.876 1
1 16 . 4 1 1 A 3 3 GLY N N 3 110.465 110.654 -0.189 1
1 17 . 4 1 1 A 4 4 SER H H 4 8.201 8.498 -0.297 1
1 18 . 4 1 1 A 4 4 SER HA H 4 4.454 4.636 -0.182 1
1 21 . 4 1 1 A 4 4 SER CA C 4 58.370 59.766 -1.396 1
1 22 . 4 1 1 A 4 4 SER CB C 4 64.049 63.309 0.740 1
1 23 . 4 1 1 A 4 4 SER N N 4 115.747 118.629 -2.882 1
1 24 . 4 1 1 A 5 5 MET H H 5 8.315 8.655 -0.340 1
1 25 . 4 1 1 A 5 5 MET HA H 5 4.675 5.160 -0.485 1
1 30 . 4 1 1 A 5 5 MET CA C 5 55.466 54.412 1.054 1
1 31 . 4 1 1 A 5 5 MET CB C 5 34.462 38.018 -3.556 1
1 33 . 4 1 1 A 5 5 MET N N 5 121.679 124.397 -2.718 1
1 34 . 4 1 1 A 6 6 VAL H H 6 8.169 8.787 -0.618 1
1 35 . 4 1 1 A 6 6 VAL HA H 6 4.141 4.867 -0.726 1
1 43 . 4 1 1 A 6 6 VAL CA C 6 61.395 59.222 2.173 1
1 44 . 4 1 1 A 6 6 VAL CB C 6 32.669 35.871 -3.202 1
1 47 . 4 1 1 A 6 6 VAL N N 6 118.330 115.428 2.902 1
1 48 . 4 1 1 A 7 7 ASP H H 7 8.335 8.687 -0.352 1
1 49 . 4 1 1 A 7 7 ASP HA H 7 4.526 4.907 -0.381 1
1 52 . 4 1 1 A 7 7 ASP CA C 7 55.023 54.625 0.398 1
1 53 . 4 1 1 A 7 7 ASP CB C 7 41.455 41.155 0.300 1
1 54 . 4 1 1 A 7 7 ASP N N 7 122.032 122.707 -0.675 1
1 55 . 4 1 1 A 8 8 VAL H H 8 8.662 9.053 -0.391 1
1 56 . 4 1 1 A 8 8 VAL HA H 8 4.947 4.899 0.048 1
1 64 . 4 1 1 A 8 8 VAL CA C 8 61.415 61.677 -0.262 1
1 65 . 4 1 1 A 8 8 VAL CB C 8 33.703 33.278 0.425 1
1 68 . 4 1 1 A 8 8 VAL N N 8 124.216 125.756 -1.540 1
1 69 . 4 1 1 A 9 9 ILE H H 9 9.311 9.400 -0.089 1
1 70 . 4 1 1 A 9 9 ILE HA H 9 4.963 5.133 -0.170 1
1 80 . 4 1 1 A 9 9 ILE CA C 9 59.648 59.840 -0.192 1
1 81 . 4 1 1 A 9 9 ILE CB C 9 41.374 41.899 -0.525 1
1 85 . 4 1 1 A 9 9 ILE N N 9 129.869 127.026 2.843 1
1 86 . 4 1 1 A 10 10 ILE H H 10 8.720 9.483 -0.763 1
1 87 . 4 1 1 A 10 10 ILE HA H 10 5.442 5.393 0.049 1
1 97 . 4 1 1 A 10 10 ILE CA C 10 58.153 58.279 -0.126 1
1 98 . 4 1 1 A 10 10 ILE CB C 10 41.947 41.371 0.576 1
1 102 . 4 1 1 A 10 10 ILE N N 10 123.598 128.525 -4.927 1
1 103 . 4 1 1 A 11 11 TYR H H 11 9.340 8.851 0.489 1
1 104 . 4 1 1 A 11 11 TYR HA H 11 5.667 5.681 -0.014 1
1 111 . 4 1 1 A 11 11 TYR CA C 11 57.300 56.142 1.158 1
1 112 . 4 1 1 A 11 11 TYR CB C 11 40.550 40.622 -0.072 1
1 113 . 4 1 1 A 11 11 TYR N N 11 128.888 127.658 1.230 1
1 114 . 4 1 1 A 12 12 THR H H 12 9.374 8.677 0.697 1
1 115 . 4 1 1 A 12 12 THR HA H 12 5.277 4.824 0.453 1
1 120 . 4 1 1 A 12 12 THR CA C 12 59.567 59.809 -0.242 1
1 121 . 4 1 1 A 12 12 THR CB C 12 72.183 71.199 0.984 1
1 123 . 4 1 1 A 12 12 THR N N 12 112.083 117.306 -5.223 1
1 124 . 4 1 1 A 13 13 ARG H H 13 7.379 8.309 -0.930 1
1 125 . 4 1 1 A 13 13 ARG HA H 13 4.779 4.820 -0.041 1
1 132 . 4 1 1 A 13 13 ARG CA C 13 52.961 53.281 -0.320 1
1 133 . 4 1 1 A 13 13 ARG CB C 13 31.374 31.723 -0.349 1
1 136 . 4 1 1 A 13 13 ARG N N 13 113.131 123.599 -10.468 1
1 137 . 4 1 1 A 14 14 PRO HA H 14 4.276 4.487 -0.211 1
1 144 . 4 1 1 A 14 14 PRO CA C 14 63.498 63.915 -0.417 1
1 145 . 4 1 1 A 14 14 PRO CB C 14 32.015 31.724 0.291 1
1 148 . 4 1 1 A 15 15 GLY H H 15 8.672 8.215 0.457 1
1 149 . 4 1 1 A 15 15 GLY HA2 H 15 3.946 4.006 -0.060 1
1 150 . 4 1 1 A 15 15 GLY HA3 H 15 3.946 4.015 -0.069 1
1 151 . 4 1 1 A 15 15 GLY N N 15 110.274 105.850 4.424 1
1 152 . 4 1 1 A 16 16 CYS H H 16 6.985 7.479 -0.494 1
1 153 . 4 1 1 A 16 16 CYS HA H 16 4.769 4.883 -0.114 1
1 156 . 4 1 1 A 16 16 CYS CA C 16 56.315 55.721 0.594 1
1 157 . 4 1 1 A 16 16 CYS CB C 16 31.724 29.542 2.182 1
1 158 . 4 1 1 A 16 16 CYS N N 16 124.357 119.113 5.244 1
1 159 . 4 1 1 A 17 17 PRO HA H 17 4.417 4.267 0.150 1
1 166 . 4 1 1 A 17 17 PRO CA C 17 64.516 65.377 -0.861 1
1 167 . 4 1 1 A 17 17 PRO CB C 17 32.205 31.601 0.604 1
1 170 . 4 1 1 A 18 18 TYR H H 18 9.273 7.369 1.904 1
1 171 . 4 1 1 A 18 18 TYR HA H 18 4.375 4.227 0.148 1
1 178 . 4 1 1 A 18 18 TYR CA C 18 61.227 61.444 -0.217 1
1 179 . 4 1 1 A 18 18 TYR CB C 18 38.025 37.874 0.151 1
1 180 . 4 1 1 A 18 18 TYR N N 18 127.619 117.563 10.056 1
1 181 . 4 1 1 A 19 19 CYS H H 19 9.854 8.136 1.718 1
1 182 . 4 1 1 A 19 19 CYS HA H 19 3.870 4.078 -0.208 1
1 185 . 4 1 1 A 19 19 CYS CA C 19 64.810 63.197 1.613 1
1 186 . 4 1 1 A 19 19 CYS CB C 19 29.498 27.446 2.052 1
1 187 . 4 1 1 A 19 19 CYS N N 19 128.016 119.750 8.266 1
1 188 . 4 1 1 A 20 20 ALA H H 20 7.948 7.732 0.216 1
1 189 . 4 1 1 A 20 20 ALA HA H 20 3.995 3.993 0.002 1
1 193 . 4 1 1 A 20 20 ALA CA C 20 55.804 55.368 0.436 1
1 194 . 4 1 1 A 20 20 ALA CB C 20 18.201 18.630 -0.429 1
1 195 . 4 1 1 A 20 20 ALA N N 20 121.373 122.466 -1.093 1
1 196 . 4 1 1 A 21 21 ARG H H 21 8.064 7.878 0.186 1
1 197 . 4 1 1 A 21 21 ARG HA H 21 4.159 4.082 0.077 1
1 204 . 4 1 1 A 21 21 ARG CA C 21 59.500 59.520 -0.020 1
1 205 . 4 1 1 A 21 21 ARG CB C 21 30.535 30.405 0.130 1
1 208 . 4 1 1 A 21 21 ARG N N 21 119.886 117.822 2.064 1
1 209 . 4 1 1 A 22 22 ALA H H 22 8.342 7.668 0.674 1
1 210 . 4 1 1 A 22 22 ALA HA H 22 4.174 4.161 0.013 1
1 214 . 4 1 1 A 22 22 ALA CA C 22 55.658 55.383 0.275 1
1 215 . 4 1 1 A 22 22 ALA CB C 22 19.485 18.500 0.985 1
1 216 . 4 1 1 A 22 22 ALA N N 22 125.852 121.294 4.558 1
1 217 . 4 1 1 A 23 23 LYS H H 23 7.968 8.089 -0.121 1
1 218 . 4 1 1 A 23 23 LYS HA H 23 3.243 3.787 -0.544 1
1 227 . 4 1 1 A 23 23 LYS CA C 23 60.699 59.404 1.295 1
1 228 . 4 1 1 A 23 23 LYS CB C 23 31.640 32.451 -0.811 1
1 232 . 4 1 1 A 23 23 LYS N N 23 116.539 116.899 -0.360 1
1 233 . 4 1 1 A 24 24 ALA H H 24 8.027 8.497 -0.470 1
1 234 . 4 1 1 A 24 24 ALA HA H 24 4.152 4.173 -0.021 1
1 238 . 4 1 1 A 24 24 ALA CA C 24 55.067 55.255 -0.188 1
1 239 . 4 1 1 A 24 24 ALA CB C 24 18.039 18.413 -0.374 1
1 240 . 4 1 1 A 24 24 ALA N N 24 120.099 122.368 -2.269 1
1 241 . 4 1 1 A 25 25 LEU H H 25 7.184 8.133 -0.949 1
1 242 . 4 1 1 A 25 25 LEU HA H 25 4.089 4.173 -0.084 1
1 252 . 4 1 1 A 25 25 LEU CA C 25 57.761 57.901 -0.140 1
1 253 . 4 1 1 A 25 25 LEU CB C 25 40.444 41.493 -1.049 1
1 257 . 4 1 1 A 25 25 LEU N N 25 119.676 119.668 0.008 1
1 258 . 4 1 1 A 26 26 LEU H H 26 7.477 8.209 -0.732 1
1 259 . 4 1 1 A 26 26 LEU HA H 26 3.701 4.082 -0.381 1
1 269 . 4 1 1 A 26 26 LEU CA C 26 58.523 58.013 0.510 1
1 270 . 4 1 1 A 26 26 LEU CB C 26 41.105 39.834 1.271 1
1 274 . 4 1 1 A 26 26 LEU N N 26 117.225 118.346 -1.121 1
1 275 . 4 1 1 A 27 27 ALA H H 27 8.657 8.152 0.505 1
1 276 . 4 1 1 A 27 27 ALA HA H 27 4.368 4.172 0.196 1
1 280 . 4 1 1 A 27 27 ALA CA C 27 55.066 55.052 0.014 1
1 281 . 4 1 1 A 27 27 ALA CB C 27 18.137 18.364 -0.227 1
1 282 . 4 1 1 A 27 27 ALA N N 27 119.692 122.295 -2.603 1
1 283 . 4 1 1 A 28 28 ARG H H 28 8.048 7.910 0.138 1
1 284 . 4 1 1 A 28 28 ARG HA H 28 4.110 4.040 0.070 1
1 291 . 4 1 1 A 28 28 ARG CA C 28 59.249 59.507 -0.258 1
1 292 . 4 1 1 A 28 28 ARG CB C 28 29.962 29.982 -0.020 1
1 295 . 4 1 1 A 28 28 ARG N N 28 121.433 119.116 2.317 1
1 296 . 4 1 1 A 29 29 LYS H H 29 7.660 7.915 -0.255 1
1 297 . 4 1 1 A 29 29 LYS HA H 29 4.192 4.245 -0.053 1
1 306 . 4 1 1 A 29 29 LYS CA C 29 54.864 55.857 -0.993 1
1 307 . 4 1 1 A 29 29 LYS CB C 29 31.476 32.102 -0.626 1
1 311 . 4 1 1 A 29 29 LYS N N 29 115.942 115.896 0.046 1
1 312 . 4 1 1 A 30 30 GLY H H 30 7.919 7.844 0.075 1
1 313 . 4 1 1 A 30 30 GLY HA2 H 30 3.734 3.952 -0.218 1
1 314 . 4 1 1 A 30 30 GLY HA3 H 30 4.013 3.956 0.057 1
1 315 . 4 1 1 A 30 30 GLY CA C 30 45.497 45.451 0.046 1
1 316 . 4 1 1 A 30 30 GLY N N 30 107.837 109.439 -1.602 1
1 317 . 4 1 1 A 31 31 ALA H H 31 7.830 7.720 0.110 1
1 318 . 4 1 1 A 31 31 ALA HA H 31 4.446 4.309 0.137 1
1 322 . 4 1 1 A 31 31 ALA CA C 31 51.562 52.273 -0.711 1
1 323 . 4 1 1 A 31 31 ALA CB C 31 19.964 19.141 0.823 1
1 324 . 4 1 1 A 31 31 ALA N N 31 122.333 123.952 -1.619 1
1 325 . 4 1 1 A 32 32 GLU H H 32 8.322 8.488 -0.166 1
1 326 . 4 1 1 A 32 32 GLU HA H 32 4.173 4.238 -0.065 1
1 331 . 4 1 1 A 32 32 GLU CA C 32 55.621 56.355 -0.734 1
1 332 . 4 1 1 A 32 32 GLU CB C 32 29.734 29.948 -0.214 1
1 334 . 4 1 1 A 32 32 GLU N N 32 124.383 123.456 0.927 1
1 335 . 4 1 1 A 33 33 PHE H H 33 7.623 8.512 -0.889 1
1 336 . 4 1 1 A 33 33 PHE HA H 33 5.151 5.211 -0.060 1
1 344 . 4 1 1 A 33 33 PHE CA C 33 55.106 55.867 -0.761 1
1 345 . 4 1 1 A 33 33 PHE CB C 33 41.937 42.051 -0.114 1
1 346 . 4 1 1 A 33 33 PHE N N 33 116.953 117.292 -0.339 1
1 347 . 4 1 1 A 34 34 ASN H H 34 8.938 9.054 -0.116 1
1 348 . 4 1 1 A 34 34 ASN HA H 34 4.897 4.983 -0.086 1
1 353 . 4 1 1 A 34 34 ASN CA C 34 52.081 53.148 -1.067 1
1 354 . 4 1 1 A 34 34 ASN CB C 34 39.784 39.383 0.401 1
1 355 . 4 1 1 A 34 34 ASN N N 34 120.410 120.615 -0.205 1
1 357 . 4 1 1 A 35 35 GLU H H 35 8.764 8.967 -0.203 1
1 358 . 4 1 1 A 35 35 GLU HA H 35 5.135 4.931 0.204 1
1 363 . 4 1 1 A 35 35 GLU CA C 35 54.519 56.033 -1.514 1
1 364 . 4 1 1 A 35 35 GLU CB C 35 31.306 30.686 0.620 1
1 366 . 4 1 1 A 35 35 GLU N N 35 126.769 127.480 -0.711 1
1 367 . 4 1 1 A 36 36 ILE H H 36 8.975 8.601 0.374 1
1 368 . 4 1 1 A 36 36 ILE HA H 36 4.108 4.674 -0.566 1
1 378 . 4 1 1 A 36 36 ILE CA C 36 60.156 58.978 1.178 1
1 379 . 4 1 1 A 36 36 ILE CB C 36 40.382 41.945 -1.563 1
1 383 . 4 1 1 A 36 36 ILE N N 36 130.393 127.178 3.215 1
1 384 . 4 1 1 A 37 37 ASP H H 37 8.494 8.735 -0.241 1
1 385 . 4 1 1 A 37 37 ASP HA H 37 4.965 5.055 -0.090 1
1 388 . 4 1 1 A 37 37 ASP CA C 37 52.537 52.932 -0.395 1
1 389 . 4 1 1 A 37 37 ASP CB C 37 39.350 42.829 -3.479 1
1 390 . 4 1 1 A 37 37 ASP N N 37 125.910 125.168 0.742 1
1 391 . 4 1 1 A 38 38 ALA H H 38 8.764 8.187 0.577 1
1 392 . 4 1 1 A 38 38 ALA HA H 38 4.621 4.448 0.173 1
1 396 . 4 1 1 A 38 38 ALA CA C 38 51.729 52.989 -1.260 1
1 397 . 4 1 1 A 38 38 ALA CB C 38 20.588 20.821 -0.233 1
1 398 . 4 1 1 A 38 38 ALA N N 38 130.164 123.746 6.418 1
1 399 . 4 1 1 A 39 39 SER H H 39 8.668 7.966 0.702 1
1 400 . 4 1 1 A 39 39 SER HA H 39 4.469 4.231 0.238 1
1 403 . 4 1 1 A 39 39 SER CA C 39 59.342 61.297 -1.955 1
1 404 . 4 1 1 A 39 39 SER CB C 39 64.938 63.038 1.900 1
1 405 . 4 1 1 A 39 39 SER N N 39 111.397 114.239 -2.842 1
1 406 . 4 1 1 A 40 40 ALA H H 40 7.466 7.809 -0.343 1
1 407 . 4 1 1 A 40 40 ALA HA H 40 4.136 4.112 0.024 1
1 411 . 4 1 1 A 40 40 ALA CA C 40 55.000 55.009 -0.009 1
1 412 . 4 1 1 A 40 40 ALA CB C 40 20.463 18.883 1.580 1
1 413 . 4 1 1 A 40 40 ALA N N 40 124.335 122.102 2.233 1
1 414 . 4 1 1 A 41 41 THR H H 41 7.098 7.414 -0.316 1
1 415 . 4 1 1 A 41 41 THR HA H 41 4.978 4.919 0.059 1
1 420 . 4 1 1 A 41 41 THR CA C 41 57.841 58.863 -1.022 1
1 421 . 4 1 1 A 41 41 THR CB C 41 70.742 71.108 -0.366 1
1 423 . 4 1 1 A 41 41 THR N N 41 105.166 107.460 -2.294 1
1 424 . 4 1 1 A 42 42 PRO HA H 42 4.299 4.389 -0.090 1
1 431 . 4 1 1 A 42 42 PRO CA C 42 64.586 65.178 -0.592 1
1 432 . 4 1 1 A 42 42 PRO CB C 42 31.963 31.976 -0.013 1
1 435 . 4 1 1 A 43 43 GLU H H 43 8.997 8.051 0.946 1
1 436 . 4 1 1 A 43 43 GLU HA H 43 4.052 4.121 -0.069 1
1 441 . 4 1 1 A 43 43 GLU CA C 43 60.694 59.628 1.066 1
1 442 . 4 1 1 A 43 43 GLU CB C 43 28.709 29.721 -1.012 1
1 444 . 4 1 1 A 43 43 GLU N N 43 118.804 118.206 0.598 1
1 445 . 4 1 1 A 44 44 LEU H H 44 7.882 8.335 -0.453 1
1 446 . 4 1 1 A 44 44 LEU HA H 44 4.285 4.053 0.232 1
1 456 . 4 1 1 A 44 44 LEU CA C 44 57.573 58.171 -0.598 1
1 457 . 4 1 1 A 44 44 LEU CB C 44 42.548 41.960 0.588 1
1 461 . 4 1 1 A 44 44 LEU N N 44 122.381 120.082 2.299 1
1 462 . 4 1 1 A 45 45 ARG H H 45 7.709 7.568 0.141 1
1 463 . 4 1 1 A 45 45 ARG HA H 45 4.026 4.150 -0.124 1
1 470 . 4 1 1 A 45 45 ARG CA C 45 60.055 58.997 1.058 1
1 471 . 4 1 1 A 45 45 ARG CB C 45 29.943 29.569 0.374 1
1 474 . 4 1 1 A 45 45 ARG N N 45 122.487 120.761 1.726 1
1 475 . 4 1 1 A 46 46 ALA H H 46 8.144 8.053 0.091 1
1 476 . 4 1 1 A 46 46 ALA HA H 46 4.074 4.309 -0.235 1
1 480 . 4 1 1 A 46 46 ALA CA C 46 54.865 55.499 -0.634 1
1 481 . 4 1 1 A 46 46 ALA CB C 46 17.777 18.424 -0.647 1
1 482 . 4 1 1 A 46 46 ALA N N 46 121.132 122.493 -1.361 1
1 483 . 4 1 1 A 47 47 GLU H H 47 7.902 8.608 -0.706 1
1 484 . 4 1 1 A 47 47 GLU HA H 47 3.995 4.048 -0.053 1
1 489 . 4 1 1 A 47 47 GLU CA C 47 59.524 59.135 0.389 1
1 490 . 4 1 1 A 47 47 GLU CB C 47 29.915 29.055 0.860 1
1 492 . 4 1 1 A 47 47 GLU N N 47 121.104 116.678 4.426 1
1 493 . 4 1 1 A 48 48 MET H H 48 7.984 8.209 -0.225 1
1 494 . 4 1 1 A 48 48 MET HA H 48 2.786 4.274 -1.488 1
1 499 . 4 1 1 A 48 48 MET CA C 48 59.662 58.356 1.306 1
1 500 . 4 1 1 A 48 48 MET CB C 48 33.701 33.442 0.259 1
1 502 . 4 1 1 A 48 48 MET N N 48 118.769 118.978 -0.209 1
1 503 . 4 1 1 A 49 49 GLN H H 49 8.209 8.806 -0.597 1
1 504 . 4 1 1 A 49 49 GLN HA H 49 4.299 4.176 0.123 1
1 511 . 4 1 1 A 49 49 GLN CA C 49 58.669 58.272 0.397 1
1 512 . 4 1 1 A 49 49 GLN CB C 49 28.742 27.743 0.999 1
1 514 . 4 1 1 A 49 49 GLN N N 49 122.155 117.459 4.696 1
1 516 . 4 1 1 A 50 50 GLU H H 50 8.671 8.118 0.553 1
1 517 . 4 1 1 A 50 50 GLU HA H 50 3.904 4.153 -0.249 1
1 522 . 4 1 1 A 50 50 GLU CA C 50 59.156 59.112 0.044 1
1 523 . 4 1 1 A 50 50 GLU CB C 50 29.504 29.060 0.444 1
1 525 . 4 1 1 A 50 50 GLU N N 50 122.081 120.311 1.770 1
1 526 . 4 1 1 A 51 51 ARG H H 51 8.244 7.918 0.326 1
1 527 . 4 1 1 A 51 51 ARG HA H 51 3.993 4.213 -0.220 1
1 534 . 4 1 1 A 51 51 ARG CA C 51 58.503 58.863 -0.360 1
1 535 . 4 1 1 A 51 51 ARG CB C 51 31.363 30.398 0.965 1
1 538 . 4 1 1 A 51 51 ARG N N 51 115.848 119.815 -3.967 1
1 539 . 4 1 1 A 52 52 SER H H 52 7.994 7.224 0.770 1
1 540 . 4 1 1 A 52 52 SER HA H 52 3.674 4.284 -0.610 1
1 543 . 4 1 1 A 52 52 SER CA C 52 58.897 58.860 0.037 1
1 544 . 4 1 1 A 52 52 SER CB C 52 66.908 63.358 3.550 1
1 545 . 4 1 1 A 52 52 SER N N 52 109.721 111.473 -1.752 1
1 546 . 4 1 1 A 53 53 GLY H H 53 8.205 9.133 -0.928 1
1 547 . 4 1 1 A 53 53 GLY HA2 H 53 3.815 3.876 -0.061 1
1 548 . 4 1 1 A 53 53 GLY HA3 H 53 4.063 3.901 0.162 1
1 549 . 4 1 1 A 53 53 GLY CA C 53 46.182 46.062 0.120 1
1 550 . 4 1 1 A 53 53 GLY N N 53 112.716 108.872 3.844 1
1 551 . 4 1 1 A 54 54 ARG H H 54 8.323 7.287 1.036 1
1 552 . 4 1 1 A 54 54 ARG HA H 54 4.595 4.805 -0.210 1
1 559 . 4 1 1 A 54 54 ARG CA C 54 54.426 53.838 0.588 1
1 560 . 4 1 1 A 54 54 ARG CB C 54 35.418 34.386 1.032 1
1 563 . 4 1 1 A 54 54 ARG N N 54 119.629 119.667 -0.038 1
1 564 . 4 1 1 A 55 55 ASN H H 55 8.184 8.926 -0.742 1
1 565 . 4 1 1 A 55 55 ASN HA H 55 4.692 4.521 0.171 1
1 570 . 4 1 1 A 55 55 ASN CA C 55 51.458 56.251 -4.793 1
1 571 . 4 1 1 A 55 55 ASN N N 55 112.763 119.216 -6.453 1
1 573 . 4 1 1 A 56 56 THR H H 56 6.730 7.689 -0.959 1
1 574 . 4 1 1 A 56 56 THR HA H 56 4.309 4.978 -0.669 1
1 579 . 4 1 1 A 56 56 THR CA C 56 59.120 61.319 -2.199 1
1 580 . 4 1 1 A 56 56 THR CB C 56 70.754 72.396 -1.642 1
1 582 . 4 1 1 A 56 56 THR N N 56 107.946 110.881 -2.935 1
1 583 . 4 1 1 A 57 57 PHE H H 57 8.568 9.064 -0.496 1
1 584 . 4 1 1 A 57 57 PHE HA H 57 4.641 5.159 -0.518 1
1 592 . 4 1 1 A 57 57 PHE CA C 57 54.923 55.362 -0.439 1
1 593 . 4 1 1 A 57 57 PHE CB C 57 41.272 40.667 0.605 1
1 594 . 4 1 1 A 57 57 PHE N N 57 117.566 121.574 -4.008 1
1 595 . 4 1 1 A 58 58 PRO HA H 58 5.604 4.717 0.887 1
1 602 . 4 1 1 A 58 58 PRO CA C 58 62.749 62.702 0.047 1
1 603 . 4 1 1 A 58 58 PRO CB C 58 36.563 31.841 4.722 1
1 606 . 4 1 1 A 59 59 GLN H H 59 7.926 8.337 -0.411 1
1 607 . 4 1 1 A 59 59 GLN HA H 59 4.813 4.751 0.062 1
1 614 . 4 1 1 A 59 59 GLN CA C 59 55.111 54.758 0.353 1
1 615 . 4 1 1 A 59 59 GLN CB C 59 31.737 30.794 0.943 1
1 617 . 4 1 1 A 59 59 GLN N N 59 112.301 121.268 -8.967 1
1 619 . 4 1 1 A 60 60 ILE H H 60 8.936 8.857 0.079 1
1 620 . 4 1 1 A 60 60 ILE HA H 60 4.933 4.261 0.672 1
1 630 . 4 1 1 A 60 60 ILE CA C 60 61.288 60.129 1.159 1
1 631 . 4 1 1 A 60 60 ILE CB C 60 40.912 38.703 2.209 1
1 635 . 4 1 1 A 60 60 ILE N N 60 123.133 124.058 -0.925 1
1 636 . 4 1 1 A 61 61 PHE H H 61 9.629 8.975 0.654 1
1 637 . 4 1 1 A 61 61 PHE HA H 61 5.354 5.205 0.149 1
1 645 . 4 1 1 A 61 61 PHE CA C 61 56.630 57.121 -0.491 1
1 646 . 4 1 1 A 61 61 PHE CB C 61 41.883 40.120 1.763 1
1 647 . 4 1 1 A 61 61 PHE N N 61 128.347 126.793 1.554 1
1 648 . 4 1 1 A 62 62 ILE H H 62 9.070 8.835 0.235 1
1 649 . 4 1 1 A 62 62 ILE HA H 62 4.587 4.577 0.010 1
1 659 . 4 1 1 A 62 62 ILE CA C 62 60.903 60.190 0.713 1
1 660 . 4 1 1 A 62 62 ILE CB C 62 39.789 39.387 0.402 1
1 664 . 4 1 1 A 62 62 ILE N N 62 122.709 123.755 -1.046 1
1 665 . 4 1 1 A 63 63 GLY H H 63 9.303 9.053 0.250 1
1 666 . 4 1 1 A 63 63 GLY HA2 H 63 3.889 3.889 0.000 1
1 667 . 4 1 1 A 63 63 GLY HA3 H 63 4.081 3.890 0.191 1
1 668 . 4 1 1 A 63 63 GLY CA C 63 47.216 47.358 -0.142 1
1 669 . 4 1 1 A 63 63 GLY N N 63 116.351 118.111 -1.760 1
1 670 . 4 1 1 A 64 64 SER H H 64 9.242 8.284 0.958 1
1 671 . 4 1 1 A 64 64 SER HA H 64 4.525 4.642 -0.117 1
1 674 . 4 1 1 A 64 64 SER CA C 64 59.046 57.578 1.468 1
1 675 . 4 1 1 A 64 64 SER CB C 64 63.900 63.871 0.029 1
1 676 . 4 1 1 A 64 64 SER N N 64 122.307 121.260 1.047 1
1 677 . 4 1 1 A 65 65 VAL H H 65 8.475 7.629 0.846 1
1 678 . 4 1 1 A 65 65 VAL HA H 65 4.013 4.800 -0.787 1
1 686 . 4 1 1 A 65 65 VAL CA C 65 62.737 60.460 2.277 1
1 687 . 4 1 1 A 65 65 VAL CB C 65 33.308 35.687 -2.379 1
1 690 . 4 1 1 A 65 65 VAL N N 65 124.659 120.791 3.868 1
1 691 . 4 1 1 A 66 66 HIS H H 66 8.968 9.014 -0.046 1
1 692 . 4 1 1 A 66 66 HIS HA H 66 4.337 5.268 -0.931 1
1 698 . 4 1 1 A 66 66 HIS CA C 66 54.409 54.614 -0.205 1
1 699 . 4 1 1 A 66 66 HIS CB C 66 31.099 30.488 0.611 1
1 700 . 4 1 1 A 66 66 HIS N N 66 128.172 126.365 1.807 1
1 701 . 4 1 1 A 67 67 VAL H H 67 8.148 8.901 -0.753 1
1 702 . 4 1 1 A 67 67 VAL HA H 67 3.329 3.688 -0.359 1
1 710 . 4 1 1 A 67 67 VAL CA C 67 64.129 65.510 -1.381 1
1 711 . 4 1 1 A 67 67 VAL CB C 67 32.554 32.228 0.326 1
1 714 . 4 1 1 A 67 67 VAL N N 67 130.509 127.479 3.030 1
1 715 . 4 1 1 A 68 68 GLY H H 68 6.365 7.349 -0.984 1
1 716 . 4 1 1 A 68 68 GLY HA2 H 68 3.003 4.009 -1.006 1
1 717 . 4 1 1 A 68 68 GLY HA3 H 68 4.513 4.138 0.375 1
1 718 . 4 1 1 A 68 68 GLY CA C 68 43.722 45.706 -1.984 1
1 719 . 4 1 1 A 68 68 GLY N N 68 102.729 105.766 -3.037 1
1 720 . 4 1 1 A 69 69 GLY H H 69 9.087 8.574 0.513 1
1 721 . 4 1 1 A 69 69 GLY HA2 H 69 3.752 4.135 -0.383 1
1 722 . 4 1 1 A 69 69 GLY HA3 H 69 4.633 4.389 0.244 1
1 723 . 4 1 1 A 69 69 GLY CA C 69 43.851 45.072 -1.221 1
1 724 . 4 1 1 A 69 69 GLY N N 69 110.274 112.757 -2.483 1
1 725 . 4 1 1 A 70 70 CYS H H 70 8.467 8.808 -0.341 1
1 726 . 4 1 1 A 70 70 CYS HA H 70 3.806 4.150 -0.344 1
1 729 . 4 1 1 A 70 70 CYS CA C 70 63.366 61.593 1.773 1
1 730 . 4 1 1 A 70 70 CYS CB C 70 27.642 27.076 0.566 1
1 731 . 4 1 1 A 70 70 CYS N N 70 118.787 118.513 0.274 1
1 732 . 4 1 1 A 71 71 ASP HA H 71 4.398 4.273 0.125 1
1 735 . 4 1 1 A 71 71 ASP CA C 71 57.405 57.406 -0.001 1
1 736 . 4 1 1 A 71 71 ASP CB C 71 39.058 41.197 -2.139 1
1 737 . 4 1 1 A 72 72 ASP H H 72 7.266 8.279 -1.013 1
1 738 . 4 1 1 A 72 72 ASP HA H 72 4.285 4.494 -0.209 1
1 741 . 4 1 1 A 72 72 ASP CA C 72 57.322 57.516 -0.194 1
1 742 . 4 1 1 A 72 72 ASP CB C 72 41.553 40.306 1.247 1
1 743 . 4 1 1 A 72 72 ASP N N 72 119.650 119.536 0.114 1
1 744 . 4 1 1 A 73 73 LEU H H 73 7.755 8.285 -0.530 1
1 745 . 4 1 1 A 73 73 LEU HA H 73 3.736 4.053 -0.317 1
1 755 . 4 1 1 A 73 73 LEU CA C 73 58.272 57.898 0.374 1
1 756 . 4 1 1 A 73 73 LEU CB C 73 41.995 41.839 0.156 1
1 760 . 4 1 1 A 73 73 LEU N N 73 121.526 121.518 0.008 1
1 761 . 4 1 1 A 74 74 TYR H H 74 8.244 8.367 -0.123 1
1 762 . 4 1 1 A 74 74 TYR HA H 74 3.697 4.078 -0.381 1
1 769 . 4 1 1 A 74 74 TYR CA C 74 62.802 61.545 1.257 1
1 770 . 4 1 1 A 74 74 TYR CB C 74 37.819 37.786 0.033 1
1 771 . 4 1 1 A 74 74 TYR N N 74 116.552 118.135 -1.583 1
1 772 . 4 1 1 A 75 75 ALA H H 75 8.169 8.249 -0.080 1
1 773 . 4 1 1 A 75 75 ALA HA H 75 4.286 4.161 0.125 1
1 777 . 4 1 1 A 75 75 ALA CA C 75 55.465 55.005 0.460 1
1 778 . 4 1 1 A 75 75 ALA CB C 75 17.722 18.585 -0.863 1
1 779 . 4 1 1 A 75 75 ALA N N 75 122.825 123.141 -0.316 1
1 780 . 4 1 1 A 76 76 LEU H H 76 7.353 8.344 -0.991 1
1 781 . 4 1 1 A 76 76 LEU HA H 76 4.003 4.066 -0.063 1
1 791 . 4 1 1 A 76 76 LEU CA C 76 57.687 57.840 -0.153 1
1 792 . 4 1 1 A 76 76 LEU CB C 76 42.753 41.615 1.138 1
1 796 . 4 1 1 A 76 76 LEU N N 76 116.756 120.505 -3.749 1
1 797 . 4 1 1 A 77 77 GLU H H 77 7.420 8.427 -1.007 1
1 798 . 4 1 1 A 77 77 GLU HA H 77 4.575 4.053 0.522 1
1 803 . 4 1 1 A 77 77 GLU CA C 77 57.962 58.953 -0.991 1
1 804 . 4 1 1 A 77 77 GLU CB C 77 28.292 28.665 -0.373 1
1 806 . 4 1 1 A 77 77 GLU N N 77 121.356 117.735 3.621 1
1 807 . 4 1 1 A 78 78 ASP H H 78 8.637 7.820 0.817 1
1 808 . 4 1 1 A 78 78 ASP HA H 78 4.399 4.385 0.014 1
1 811 . 4 1 1 A 78 78 ASP CA C 78 57.569 57.214 0.355 1
1 812 . 4 1 1 A 78 78 ASP CB C 78 40.715 41.268 -0.553 1
1 813 . 4 1 1 A 78 78 ASP N N 78 123.396 120.704 2.692 1
1 814 . 4 1 1 A 79 79 GLU H H 79 7.773 7.945 -0.172 1
1 815 . 4 1 1 A 79 79 GLU HA H 79 4.283 4.375 -0.092 1
1 820 . 4 1 1 A 79 79 GLU CA C 79 56.357 56.279 0.078 1
1 821 . 4 1 1 A 79 79 GLU CB C 79 30.855 30.750 0.105 1
1 823 . 4 1 1 A 79 79 GLU N N 79 115.336 116.137 -0.801 1
1 824 . 4 1 1 A 80 80 GLY H H 80 8.050 7.922 0.128 1
1 825 . 4 1 1 A 80 80 GLY HA2 H 80 4.031 3.980 0.051 1
1 826 . 4 1 1 A 80 80 GLY HA3 H 80 4.031 3.981 0.050 1
1 827 . 4 1 1 A 80 80 GLY CA C 80 46.314 46.099 0.215 1
1 828 . 4 1 1 A 80 80 GLY N N 80 108.957 108.313 0.644 1
1 829 . 4 1 1 A 81 81 LYS H H 81 8.188 7.740 0.448 1
1 830 . 4 1 1 A 81 81 LYS HA H 81 4.415 4.231 0.184 1
1 839 . 4 1 1 A 81 81 LYS CA C 81 56.716 58.205 -1.489 1
1 840 . 4 1 1 A 81 81 LYS CB C 81 35.935 32.194 3.741 1
1 844 . 4 1 1 A 81 81 LYS N N 81 116.879 119.317 -2.438 1
1 845 . 4 1 1 A 82 82 LEU H H 82 7.499 7.944 -0.445 1
1 846 . 4 1 1 A 82 82 LEU HA H 82 3.977 4.002 -0.025 1
1 856 . 4 1 1 A 82 82 LEU CA C 82 57.480 57.972 -0.492 1
1 857 . 4 1 1 A 82 82 LEU CB C 82 40.489 41.542 -1.053 1
1 861 . 4 1 1 A 82 82 LEU N N 82 122.734 119.991 2.743 1
1 862 . 4 1 1 A 83 83 ASP H H 83 8.625 8.421 0.204 1
1 863 . 4 1 1 A 83 83 ASP HA H 83 4.248 4.360 -0.112 1
1 866 . 4 1 1 A 83 83 ASP CA C 83 58.680 57.901 0.779 1
1 867 . 4 1 1 A 83 83 ASP CB C 83 40.149 41.355 -1.206 1
1 868 . 4 1 1 A 83 83 ASP N N 83 119.728 120.902 -1.174 1
1 869 . 4 1 1 A 84 84 SER H H 84 8.426 7.774 0.652 1
1 870 . 4 1 1 A 84 84 SER HA H 84 4.219 4.303 -0.084 1
1 873 . 4 1 1 A 84 84 SER CA C 84 61.473 61.111 0.362 1
1 874 . 4 1 1 A 84 84 SER CB C 84 62.589 62.958 -0.369 1
1 875 . 4 1 1 A 84 84 SER N N 84 113.454 114.420 -0.966 1
1 876 . 4 1 1 A 85 85 LEU H H 85 7.551 8.353 -0.802 1
1 877 . 4 1 1 A 85 85 LEU HA H 85 4.319 4.120 0.199 1
1 887 . 4 1 1 A 85 85 LEU CA C 85 58.355 57.628 0.727 1
1 888 . 4 1 1 A 85 85 LEU CB C 85 41.588 41.489 0.099 1
1 892 . 4 1 1 A 85 85 LEU N N 85 126.500 122.113 4.387 1
1 893 . 4 1 1 A 86 86 LEU H H 86 8.382 7.880 0.502 1
1 894 . 4 1 1 A 86 86 LEU HA H 86 3.827 4.098 -0.271 1
1 904 . 4 1 1 A 86 86 LEU CA C 86 57.826 57.680 0.146 1
1 905 . 4 1 1 A 86 86 LEU CB C 86 41.840 41.391 0.449 1
1 909 . 4 1 1 A 86 86 LEU N N 86 117.962 116.553 1.409 1
1 910 . 4 1 1 A 87 87 LYS H H 87 7.522 7.812 -0.290 1
1 911 . 4 1 1 A 87 87 LYS HA H 87 4.331 4.103 0.228 1
1 920 . 4 1 1 A 87 87 LYS CA C 87 58.325 59.304 -0.979 1
1 921 . 4 1 1 A 87 87 LYS CB C 87 34.043 32.896 1.147 1
1 925 . 4 1 1 A 87 87 LYS N N 87 114.198 118.634 -4.436 1
1 926 . 4 1 1 A 88 88 THR H H 88 8.165 8.116 0.049 1
1 927 . 4 1 1 A 88 88 THR HA H 88 4.507 4.428 0.079 1
1 932 . 4 1 1 A 88 88 THR CA C 88 62.385 62.590 -0.205 1
1 933 . 4 1 1 A 88 88 THR CB C 88 72.525 70.518 2.007 1
1 935 . 4 1 1 A 88 88 THR N N 88 106.021 108.207 -2.186 1
1 936 . 4 1 1 A 89 89 GLY H H 89 9.139 8.700 0.439 1
1 937 . 4 1 1 A 89 89 GLY HA2 H 89 3.612 3.927 -0.315 1
1 938 . 4 1 1 A 89 89 GLY HA3 H 89 4.204 3.933 0.271 1
1 939 . 4 1 1 A 89 89 GLY CA C 89 46.770 45.640 1.130 1
1 940 . 4 1 1 A 89 89 GLY N N 89 112.926 112.077 0.849 1
1 941 . 4 1 1 A 90 90 LYS H H 90 7.933 7.650 0.283 1
1 942 . 4 1 1 A 90 90 LYS HA H 90 4.459 4.943 -0.484 1
1 951 . 4 1 1 A 90 90 LYS CA C 90 54.576 54.377 0.199 1
1 952 . 4 1 1 A 90 90 LYS CB C 90 35.788 36.859 -1.071 1
1 956 . 4 1 1 A 90 90 LYS N N 90 117.810 119.974 -2.164 1
1 957 . 4 1 1 A 91 91 LEU H H 91 8.487 8.846 -0.359 1
1 958 . 4 1 1 A 91 91 LEU HA H 91 4.423 4.785 -0.362 1
1 968 . 4 1 1 A 91 91 LEU CA C 91 54.491 54.193 0.298 1
1 969 . 4 1 1 A 91 91 LEU CB C 91 43.083 41.565 1.518 1
1 973 . 4 1 1 A 91 91 LEU N N 91 123.364 121.951 1.413 1
1 1 . 5 1 1 A 2 2 PRO HA H 2 4.444 4.283 0.161 1
1 8 . 5 1 1 A 2 2 PRO CA C 2 63.468 63.479 -0.011 1
1 9 . 5 1 1 A 2 2 PRO CB C 2 32.153 31.834 0.319 1
1 12 . 5 1 1 A 3 3 GLY H H 3 8.672 8.881 -0.209 1
1 13 . 5 1 1 A 3 3 GLY HA2 H 3 4.759 3.989 0.770 1
1 14 . 5 1 1 A 3 3 GLY HA3 H 3 4.759 3.990 0.769 1
1 15 . 5 1 1 A 3 3 GLY CA C 3 45.323 45.713 -0.390 1
1 16 . 5 1 1 A 3 3 GLY N N 3 110.465 112.377 -1.912 1
1 17 . 5 1 1 A 4 4 SER H H 4 8.201 7.832 0.369 1
1 18 . 5 1 1 A 4 4 SER HA H 4 4.454 5.089 -0.635 1
1 21 . 5 1 1 A 4 4 SER CA C 4 58.370 57.688 0.682 1
1 22 . 5 1 1 A 4 4 SER CB C 4 64.049 68.110 -4.061 1
1 23 . 5 1 1 A 4 4 SER N N 4 115.747 114.561 1.186 1
1 24 . 5 1 1 A 5 5 MET H H 5 8.315 8.767 -0.452 1
1 25 . 5 1 1 A 5 5 MET HA H 5 4.675 4.980 -0.305 1
1 30 . 5 1 1 A 5 5 MET CA C 5 55.466 54.688 0.778 1
1 31 . 5 1 1 A 5 5 MET CB C 5 34.462 36.170 -1.708 1
1 33 . 5 1 1 A 5 5 MET N N 5 121.679 120.532 1.147 1
1 34 . 5 1 1 A 6 6 VAL H H 6 8.169 8.157 0.012 1
1 35 . 5 1 1 A 6 6 VAL HA H 6 4.141 4.818 -0.677 1
1 43 . 5 1 1 A 6 6 VAL CA C 6 61.395 59.262 2.133 1
1 44 . 5 1 1 A 6 6 VAL CB C 6 32.669 34.810 -2.141 1
1 47 . 5 1 1 A 6 6 VAL N N 6 118.330 118.436 -0.106 1
1 48 . 5 1 1 A 7 7 ASP H H 7 8.335 8.614 -0.279 1
1 49 . 5 1 1 A 7 7 ASP HA H 7 4.526 4.800 -0.274 1
1 52 . 5 1 1 A 7 7 ASP CA C 7 55.023 54.737 0.286 1
1 53 . 5 1 1 A 7 7 ASP CB C 7 41.455 40.966 0.489 1
1 54 . 5 1 1 A 7 7 ASP N N 7 122.032 121.114 0.918 1
1 55 . 5 1 1 A 8 8 VAL H H 8 8.662 9.056 -0.394 1
1 56 . 5 1 1 A 8 8 VAL HA H 8 4.947 5.168 -0.221 1
1 64 . 5 1 1 A 8 8 VAL CA C 8 61.415 61.543 -0.128 1
1 65 . 5 1 1 A 8 8 VAL CB C 8 33.703 33.369 0.334 1
1 68 . 5 1 1 A 8 8 VAL N N 8 124.216 125.629 -1.413 1
1 69 . 5 1 1 A 9 9 ILE H H 9 9.311 9.434 -0.123 1
1 70 . 5 1 1 A 9 9 ILE HA H 9 4.963 5.190 -0.227 1
1 80 . 5 1 1 A 9 9 ILE CA C 9 59.648 59.709 -0.061 1
1 81 . 5 1 1 A 9 9 ILE CB C 9 41.374 41.437 -0.063 1
1 85 . 5 1 1 A 9 9 ILE N N 9 129.869 127.082 2.787 1
1 86 . 5 1 1 A 10 10 ILE H H 10 8.720 9.218 -0.498 1
1 87 . 5 1 1 A 10 10 ILE HA H 10 5.442 5.535 -0.093 1
1 97 . 5 1 1 A 10 10 ILE CA C 10 58.153 58.389 -0.236 1
1 98 . 5 1 1 A 10 10 ILE CB C 10 41.947 41.324 0.623 1
1 102 . 5 1 1 A 10 10 ILE N N 10 123.598 128.175 -4.577 1
1 103 . 5 1 1 A 11 11 TYR H H 11 9.340 8.874 0.466 1
1 104 . 5 1 1 A 11 11 TYR HA H 11 5.667 5.689 -0.022 1
1 111 . 5 1 1 A 11 11 TYR CA C 11 57.300 56.325 0.975 1
1 112 . 5 1 1 A 11 11 TYR CB C 11 40.550 40.676 -0.126 1
1 113 . 5 1 1 A 11 11 TYR N N 11 128.888 127.680 1.208 1
1 114 . 5 1 1 A 12 12 THR H H 12 9.374 8.838 0.536 1
1 115 . 5 1 1 A 12 12 THR HA H 12 5.277 5.184 0.093 1
1 120 . 5 1 1 A 12 12 THR CA C 12 59.567 59.718 -0.151 1
1 121 . 5 1 1 A 12 12 THR CB C 12 72.183 72.714 -0.531 1
1 123 . 5 1 1 A 12 12 THR N N 12 112.083 113.774 -1.691 1
1 124 . 5 1 1 A 13 13 ARG H H 13 7.379 8.282 -0.903 1
1 125 . 5 1 1 A 13 13 ARG HA H 13 4.779 5.000 -0.221 1
1 132 . 5 1 1 A 13 13 ARG CA C 13 52.961 53.570 -0.609 1
1 133 . 5 1 1 A 13 13 ARG CB C 13 31.374 33.099 -1.725 1
1 136 . 5 1 1 A 13 13 ARG N N 13 113.131 119.858 -6.727 1
1 137 . 5 1 1 A 14 14 PRO HA H 14 4.276 4.535 -0.259 1
1 144 . 5 1 1 A 14 14 PRO CA C 14 63.498 62.727 0.771 1
1 145 . 5 1 1 A 14 14 PRO CB C 14 32.015 29.574 2.441 1
1 148 . 5 1 1 A 15 15 GLY H H 15 8.672 8.600 0.072 1
1 149 . 5 1 1 A 15 15 GLY HA2 H 15 3.946 4.111 -0.165 1
1 150 . 5 1 1 A 15 15 GLY HA3 H 15 3.946 4.115 -0.169 1
1 151 . 5 1 1 A 15 15 GLY N N 15 110.274 112.477 -2.203 1
1 152 . 5 1 1 A 16 16 CYS H H 16 6.985 7.738 -0.753 1
1 153 . 5 1 1 A 16 16 CYS HA H 16 4.769 5.020 -0.251 1
1 156 . 5 1 1 A 16 16 CYS CA C 16 56.315 56.747 -0.432 1
1 157 . 5 1 1 A 16 16 CYS CB C 16 31.724 30.963 0.761 1
1 158 . 5 1 1 A 16 16 CYS N N 16 124.357 115.700 8.657 1
1 159 . 5 1 1 A 17 17 PRO HA H 17 4.417 4.307 0.110 1
1 166 . 5 1 1 A 17 17 PRO CA C 17 64.516 65.092 -0.576 1
1 167 . 5 1 1 A 17 17 PRO CB C 17 32.205 31.803 0.402 1
1 170 . 5 1 1 A 18 18 TYR H H 18 9.273 7.742 1.531 1
1 171 . 5 1 1 A 18 18 TYR HA H 18 4.375 4.287 0.088 1
1 178 . 5 1 1 A 18 18 TYR CA C 18 61.227 61.044 0.183 1
1 179 . 5 1 1 A 18 18 TYR CB C 18 38.025 37.331 0.694 1
1 180 . 5 1 1 A 18 18 TYR N N 18 127.619 117.336 10.283 1
1 181 . 5 1 1 A 19 19 CYS H H 19 9.854 8.302 1.552 1
1 182 . 5 1 1 A 19 19 CYS HA H 19 3.870 4.103 -0.233 1
1 185 . 5 1 1 A 19 19 CYS CA C 19 64.810 62.978 1.832 1
1 186 . 5 1 1 A 19 19 CYS CB C 19 29.498 27.250 2.248 1
1 187 . 5 1 1 A 19 19 CYS N N 19 128.016 118.370 9.646 1
1 188 . 5 1 1 A 20 20 ALA H H 20 7.948 7.867 0.081 1
1 189 . 5 1 1 A 20 20 ALA HA H 20 3.995 4.038 -0.043 1
1 193 . 5 1 1 A 20 20 ALA CA C 20 55.804 55.361 0.443 1
1 194 . 5 1 1 A 20 20 ALA CB C 20 18.201 18.639 -0.438 1
1 195 . 5 1 1 A 20 20 ALA N N 20 121.373 122.127 -0.754 1
1 196 . 5 1 1 A 21 21 ARG H H 21 8.064 7.865 0.199 1
1 197 . 5 1 1 A 21 21 ARG HA H 21 4.159 4.068 0.091 1
1 204 . 5 1 1 A 21 21 ARG CA C 21 59.500 59.423 0.077 1
1 205 . 5 1 1 A 21 21 ARG CB C 21 30.535 30.316 0.219 1
1 208 . 5 1 1 A 21 21 ARG N N 21 119.886 117.597 2.289 1
1 209 . 5 1 1 A 22 22 ALA H H 22 8.342 7.989 0.353 1
1 210 . 5 1 1 A 22 22 ALA HA H 22 4.174 4.219 -0.045 1
1 214 . 5 1 1 A 22 22 ALA CA C 22 55.658 55.439 0.219 1
1 215 . 5 1 1 A 22 22 ALA CB C 22 19.485 18.282 1.203 1
1 216 . 5 1 1 A 22 22 ALA N N 22 125.852 121.973 3.879 1
1 217 . 5 1 1 A 23 23 LYS H H 23 7.968 8.541 -0.573 1
1 218 . 5 1 1 A 23 23 LYS HA H 23 3.243 3.960 -0.717 1
1 227 . 5 1 1 A 23 23 LYS CA C 23 60.699 59.165 1.534 1
1 228 . 5 1 1 A 23 23 LYS CB C 23 31.640 32.441 -0.801 1
1 232 . 5 1 1 A 23 23 LYS N N 23 116.539 117.530 -0.991 1
1 233 . 5 1 1 A 24 24 ALA H H 24 8.027 8.175 -0.148 1
1 234 . 5 1 1 A 24 24 ALA HA H 24 4.152 4.139 0.013 1
1 238 . 5 1 1 A 24 24 ALA CA C 24 55.067 55.168 -0.101 1
1 239 . 5 1 1 A 24 24 ALA CB C 24 18.039 18.318 -0.279 1
1 240 . 5 1 1 A 24 24 ALA N N 24 120.099 122.319 -2.220 1
1 241 . 5 1 1 A 25 25 LEU H H 25 7.184 8.097 -0.913 1
1 242 . 5 1 1 A 25 25 LEU HA H 25 4.089 4.127 -0.038 1
1 252 . 5 1 1 A 25 25 LEU CA C 25 57.761 57.962 -0.201 1
1 253 . 5 1 1 A 25 25 LEU CB C 25 40.444 41.714 -1.270 1
1 257 . 5 1 1 A 25 25 LEU N N 25 119.676 119.457 0.219 1
1 258 . 5 1 1 A 26 26 LEU H H 26 7.477 8.492 -1.015 1
1 259 . 5 1 1 A 26 26 LEU HA H 26 3.701 4.061 -0.360 1
1 269 . 5 1 1 A 26 26 LEU CA C 26 58.523 57.854 0.669 1
1 270 . 5 1 1 A 26 26 LEU CB C 26 41.105 40.783 0.322 1
1 274 . 5 1 1 A 26 26 LEU N N 26 117.225 118.443 -1.218 1
1 275 . 5 1 1 A 27 27 ALA H H 27 8.657 8.333 0.324 1
1 276 . 5 1 1 A 27 27 ALA HA H 27 4.368 4.140 0.228 1
1 280 . 5 1 1 A 27 27 ALA CA C 27 55.066 55.006 0.060 1
1 281 . 5 1 1 A 27 27 ALA CB C 27 18.137 18.174 -0.037 1
1 282 . 5 1 1 A 27 27 ALA N N 27 119.692 122.170 -2.478 1
1 283 . 5 1 1 A 28 28 ARG H H 28 8.048 7.834 0.214 1
1 284 . 5 1 1 A 28 28 ARG HA H 28 4.110 4.046 0.064 1
1 291 . 5 1 1 A 28 28 ARG CA C 28 59.249 59.359 -0.110 1
1 292 . 5 1 1 A 28 28 ARG CB C 28 29.962 29.877 0.085 1
1 295 . 5 1 1 A 28 28 ARG N N 28 121.433 118.811 2.622 1
1 296 . 5 1 1 A 29 29 LYS H H 29 7.660 7.489 0.171 1
1 297 . 5 1 1 A 29 29 LYS HA H 29 4.192 4.243 -0.051 1
1 306 . 5 1 1 A 29 29 LYS CA C 29 54.864 55.812 -0.948 1
1 307 . 5 1 1 A 29 29 LYS CB C 29 31.476 32.075 -0.599 1
1 311 . 5 1 1 A 29 29 LYS N N 29 115.942 116.265 -0.323 1
1 312 . 5 1 1 A 30 30 GLY H H 30 7.919 7.939 -0.020 1
1 313 . 5 1 1 A 30 30 GLY HA2 H 30 3.734 3.927 -0.193 1
1 314 . 5 1 1 A 30 30 GLY HA3 H 30 4.013 3.932 0.081 1
1 315 . 5 1 1 A 30 30 GLY CA C 30 45.497 45.715 -0.218 1
1 316 . 5 1 1 A 30 30 GLY N N 30 107.837 109.574 -1.737 1
1 317 . 5 1 1 A 31 31 ALA H H 31 7.830 7.849 -0.019 1
1 318 . 5 1 1 A 31 31 ALA HA H 31 4.446 4.355 0.091 1
1 322 . 5 1 1 A 31 31 ALA CA C 31 51.562 51.608 -0.046 1
1 323 . 5 1 1 A 31 31 ALA CB C 31 19.964 20.014 -0.050 1
1 324 . 5 1 1 A 31 31 ALA N N 31 122.333 123.699 -1.366 1
1 325 . 5 1 1 A 32 32 GLU H H 32 8.322 8.804 -0.482 1
1 326 . 5 1 1 A 32 32 GLU HA H 32 4.173 4.345 -0.172 1
1 331 . 5 1 1 A 32 32 GLU CA C 32 55.621 56.526 -0.905 1
1 332 . 5 1 1 A 32 32 GLU CB C 32 29.734 30.496 -0.762 1
1 334 . 5 1 1 A 32 32 GLU N N 32 124.383 123.375 1.008 1
1 335 . 5 1 1 A 33 33 PHE H H 33 7.623 8.426 -0.803 1
1 336 . 5 1 1 A 33 33 PHE HA H 33 5.151 5.200 -0.049 1
1 344 . 5 1 1 A 33 33 PHE CA C 33 55.106 56.086 -0.980 1
1 345 . 5 1 1 A 33 33 PHE CB C 33 41.937 41.999 -0.062 1
1 346 . 5 1 1 A 33 33 PHE N N 33 116.953 118.501 -1.548 1
1 347 . 5 1 1 A 34 34 ASN H H 34 8.938 8.604 0.334 1
1 348 . 5 1 1 A 34 34 ASN HA H 34 4.897 4.937 -0.040 1
1 353 . 5 1 1 A 34 34 ASN CA C 34 52.081 53.396 -1.315 1
1 354 . 5 1 1 A 34 34 ASN CB C 34 39.784 39.330 0.454 1
1 355 . 5 1 1 A 34 34 ASN N N 34 120.410 120.509 -0.099 1
1 357 . 5 1 1 A 35 35 GLU H H 35 8.764 8.910 -0.146 1
1 358 . 5 1 1 A 35 35 GLU HA H 35 5.135 4.907 0.228 1
1 363 . 5 1 1 A 35 35 GLU CA C 35 54.519 55.943 -1.424 1
1 364 . 5 1 1 A 35 35 GLU CB C 35 31.306 30.696 0.610 1
1 366 . 5 1 1 A 35 35 GLU N N 35 126.769 127.425 -0.656 1
1 367 . 5 1 1 A 36 36 ILE H H 36 8.975 8.634 0.341 1
1 368 . 5 1 1 A 36 36 ILE HA H 36 4.108 4.569 -0.461 1
1 378 . 5 1 1 A 36 36 ILE CA C 36 60.156 59.012 1.144 1
1 379 . 5 1 1 A 36 36 ILE CB C 36 40.382 41.573 -1.191 1
1 383 . 5 1 1 A 36 36 ILE N N 36 130.393 126.863 3.530 1
1 384 . 5 1 1 A 37 37 ASP H H 37 8.494 8.801 -0.307 1
1 385 . 5 1 1 A 37 37 ASP HA H 37 4.965 4.910 0.055 1
1 388 . 5 1 1 A 37 37 ASP CA C 37 52.537 54.094 -1.557 1
1 389 . 5 1 1 A 37 37 ASP CB C 37 39.350 41.443 -2.093 1
1 390 . 5 1 1 A 37 37 ASP N N 37 125.910 125.559 0.351 1
1 391 . 5 1 1 A 38 38 ALA H H 38 8.764 8.052 0.712 1
1 392 . 5 1 1 A 38 38 ALA HA H 38 4.621 4.602 0.019 1
1 396 . 5 1 1 A 38 38 ALA CA C 38 51.729 53.312 -1.583 1
1 397 . 5 1 1 A 38 38 ALA CB C 38 20.588 20.963 -0.375 1
1 398 . 5 1 1 A 38 38 ALA N N 38 130.164 123.497 6.667 1
1 399 . 5 1 1 A 39 39 SER H H 39 8.668 8.143 0.525 1
1 400 . 5 1 1 A 39 39 SER HA H 39 4.469 4.419 0.050 1
1 403 . 5 1 1 A 39 39 SER CA C 39 59.342 60.950 -1.608 1
1 404 . 5 1 1 A 39 39 SER CB C 39 64.938 63.317 1.621 1
1 405 . 5 1 1 A 39 39 SER N N 39 111.397 114.626 -3.229 1
1 406 . 5 1 1 A 40 40 ALA H H 40 7.466 7.682 -0.216 1
1 407 . 5 1 1 A 40 40 ALA HA H 40 4.136 4.103 0.033 1
1 411 . 5 1 1 A 40 40 ALA CA C 40 55.000 54.741 0.259 1
1 412 . 5 1 1 A 40 40 ALA CB C 40 20.463 18.868 1.595 1
1 413 . 5 1 1 A 40 40 ALA N N 40 124.335 122.126 2.209 1
1 414 . 5 1 1 A 41 41 THR H H 41 7.098 7.603 -0.505 1
1 415 . 5 1 1 A 41 41 THR HA H 41 4.978 4.907 0.071 1
1 420 . 5 1 1 A 41 41 THR CA C 41 57.841 58.878 -1.037 1
1 421 . 5 1 1 A 41 41 THR CB C 41 70.742 71.265 -0.523 1
1 423 . 5 1 1 A 41 41 THR N N 41 105.166 107.439 -2.273 1
1 424 . 5 1 1 A 42 42 PRO HA H 42 4.299 4.385 -0.086 1
1 431 . 5 1 1 A 42 42 PRO CA C 42 64.586 65.172 -0.586 1
1 432 . 5 1 1 A 42 42 PRO CB C 42 31.963 31.974 -0.011 1
1 435 . 5 1 1 A 43 43 GLU H H 43 8.997 8.416 0.581 1
1 436 . 5 1 1 A 43 43 GLU HA H 43 4.052 4.107 -0.055 1
1 441 . 5 1 1 A 43 43 GLU CA C 43 60.694 59.538 1.156 1
1 442 . 5 1 1 A 43 43 GLU CB C 43 28.709 29.297 -0.588 1
1 444 . 5 1 1 A 43 43 GLU N N 43 118.804 118.161 0.643 1
1 445 . 5 1 1 A 44 44 LEU H H 44 7.882 8.469 -0.587 1
1 446 . 5 1 1 A 44 44 LEU HA H 44 4.285 4.047 0.238 1
1 456 . 5 1 1 A 44 44 LEU CA C 44 57.573 58.048 -0.475 1
1 457 . 5 1 1 A 44 44 LEU CB C 44 42.548 41.489 1.059 1
1 461 . 5 1 1 A 44 44 LEU N N 44 122.381 120.352 2.029 1
1 462 . 5 1 1 A 45 45 ARG H H 45 7.709 7.736 -0.027 1
1 463 . 5 1 1 A 45 45 ARG HA H 45 4.026 4.115 -0.089 1
1 470 . 5 1 1 A 45 45 ARG CA C 45 60.055 58.932 1.123 1
1 471 . 5 1 1 A 45 45 ARG CB C 45 29.943 29.729 0.214 1
1 474 . 5 1 1 A 45 45 ARG N N 45 122.487 121.487 1.000 1
1 475 . 5 1 1 A 46 46 ALA H H 46 8.144 7.924 0.220 1
1 476 . 5 1 1 A 46 46 ALA HA H 46 4.074 4.415 -0.341 1
1 480 . 5 1 1 A 46 46 ALA CA C 46 54.865 55.417 -0.552 1
1 481 . 5 1 1 A 46 46 ALA CB C 46 17.777 18.348 -0.571 1
1 482 . 5 1 1 A 46 46 ALA N N 46 121.132 122.624 -1.492 1
1 483 . 5 1 1 A 47 47 GLU H H 47 7.902 8.469 -0.567 1
1 484 . 5 1 1 A 47 47 GLU HA H 47 3.995 4.070 -0.075 1
1 489 . 5 1 1 A 47 47 GLU CA C 47 59.524 59.328 0.196 1
1 490 . 5 1 1 A 47 47 GLU CB C 47 29.915 29.207 0.708 1
1 492 . 5 1 1 A 47 47 GLU N N 47 121.104 116.835 4.269 1
1 493 . 5 1 1 A 48 48 MET H H 48 7.984 7.850 0.134 1
1 494 . 5 1 1 A 48 48 MET HA H 48 2.786 4.305 -1.519 1
1 499 . 5 1 1 A 48 48 MET CA C 48 59.662 58.459 1.203 1
1 500 . 5 1 1 A 48 48 MET CB C 48 33.701 33.104 0.597 1
1 502 . 5 1 1 A 48 48 MET N N 48 118.769 119.218 -0.449 1
1 503 . 5 1 1 A 49 49 GLN H H 49 8.209 8.394 -0.185 1
1 504 . 5 1 1 A 49 49 GLN HA H 49 4.299 4.144 0.155 1
1 511 . 5 1 1 A 49 49 GLN CA C 49 58.669 58.060 0.609 1
1 512 . 5 1 1 A 49 49 GLN CB C 49 28.742 27.247 1.495 1
1 514 . 5 1 1 A 49 49 GLN N N 49 122.155 117.026 5.129 1
1 516 . 5 1 1 A 50 50 GLU H H 50 8.671 7.776 0.895 1
1 517 . 5 1 1 A 50 50 GLU HA H 50 3.904 4.145 -0.241 1
1 522 . 5 1 1 A 50 50 GLU CA C 50 59.156 58.939 0.217 1
1 523 . 5 1 1 A 50 50 GLU CB C 50 29.504 29.237 0.267 1
1 525 . 5 1 1 A 50 50 GLU N N 50 122.081 120.319 1.762 1
1 526 . 5 1 1 A 51 51 ARG H H 51 8.244 7.805 0.439 1
1 527 . 5 1 1 A 51 51 ARG HA H 51 3.993 4.331 -0.338 1
1 534 . 5 1 1 A 51 51 ARG CA C 51 58.503 57.707 0.796 1
1 535 . 5 1 1 A 51 51 ARG CB C 51 31.363 31.230 0.133 1
1 538 . 5 1 1 A 51 51 ARG N N 51 115.848 119.591 -3.743 1
1 539 . 5 1 1 A 52 52 SER H H 52 7.994 7.295 0.699 1
1 540 . 5 1 1 A 52 52 SER HA H 52 3.674 4.247 -0.573 1
1 543 . 5 1 1 A 52 52 SER CA C 52 58.897 58.916 -0.019 1
1 544 . 5 1 1 A 52 52 SER CB C 52 66.908 63.502 3.406 1
1 545 . 5 1 1 A 52 52 SER N N 52 109.721 111.589 -1.868 1
1 546 . 5 1 1 A 53 53 GLY H H 53 8.205 8.866 -0.661 1
1 547 . 5 1 1 A 53 53 GLY HA2 H 53 3.815 3.833 -0.018 1
1 548 . 5 1 1 A 53 53 GLY HA3 H 53 4.063 3.859 0.204 1
1 549 . 5 1 1 A 53 53 GLY CA C 53 46.182 45.590 0.592 1
1 550 . 5 1 1 A 53 53 GLY N N 53 112.716 109.078 3.638 1
1 551 . 5 1 1 A 54 54 ARG H H 54 8.323 7.734 0.589 1
1 552 . 5 1 1 A 54 54 ARG HA H 54 4.595 4.737 -0.142 1
1 559 . 5 1 1 A 54 54 ARG CA C 54 54.426 53.822 0.604 1
1 560 . 5 1 1 A 54 54 ARG CB C 54 35.418 33.029 2.389 1
1 563 . 5 1 1 A 54 54 ARG N N 54 119.629 120.070 -0.441 1
1 564 . 5 1 1 A 55 55 ASN H H 55 8.184 8.890 -0.706 1
1 565 . 5 1 1 A 55 55 ASN HA H 55 4.692 4.326 0.366 1
1 570 . 5 1 1 A 55 55 ASN CA C 55 51.458 56.459 -5.001 1
1 571 . 5 1 1 A 55 55 ASN N N 55 112.763 120.580 -7.817 1
1 573 . 5 1 1 A 56 56 THR H H 56 6.730 7.635 -0.905 1
1 574 . 5 1 1 A 56 56 THR HA H 56 4.309 4.893 -0.584 1
1 579 . 5 1 1 A 56 56 THR CA C 56 59.120 61.273 -2.153 1
1 580 . 5 1 1 A 56 56 THR CB C 56 70.754 72.028 -1.274 1
1 582 . 5 1 1 A 56 56 THR N N 56 107.946 109.054 -1.108 1
1 583 . 5 1 1 A 57 57 PHE H H 57 8.568 9.027 -0.459 1
1 584 . 5 1 1 A 57 57 PHE HA H 57 4.641 5.061 -0.420 1
1 592 . 5 1 1 A 57 57 PHE CA C 57 54.923 55.283 -0.360 1
1 593 . 5 1 1 A 57 57 PHE CB C 57 41.272 40.549 0.723 1
1 594 . 5 1 1 A 57 57 PHE N N 57 117.566 121.812 -4.246 1
1 595 . 5 1 1 A 58 58 PRO HA H 58 5.604 4.700 0.904 1
1 602 . 5 1 1 A 58 58 PRO CA C 58 62.749 62.589 0.160 1
1 603 . 5 1 1 A 58 58 PRO CB C 58 36.563 31.660 4.903 1
1 606 . 5 1 1 A 59 59 GLN H H 59 7.926 8.405 -0.479 1
1 607 . 5 1 1 A 59 59 GLN HA H 59 4.813 4.681 0.132 1
1 614 . 5 1 1 A 59 59 GLN CA C 59 55.111 55.125 -0.014 1
1 615 . 5 1 1 A 59 59 GLN CB C 59 31.737 29.849 1.888 1
1 617 . 5 1 1 A 59 59 GLN N N 59 112.301 121.678 -9.377 1
1 619 . 5 1 1 A 60 60 ILE H H 60 8.936 8.925 0.011 1
1 620 . 5 1 1 A 60 60 ILE HA H 60 4.933 4.390 0.543 1
1 630 . 5 1 1 A 60 60 ILE CA C 60 61.288 60.229 1.059 1
1 631 . 5 1 1 A 60 60 ILE CB C 60 40.912 38.860 2.052 1
1 635 . 5 1 1 A 60 60 ILE N N 60 123.133 124.060 -0.927 1
1 636 . 5 1 1 A 61 61 PHE H H 61 9.629 9.203 0.426 1
1 637 . 5 1 1 A 61 61 PHE HA H 61 5.354 5.300 0.054 1
1 645 . 5 1 1 A 61 61 PHE CA C 61 56.630 56.895 -0.265 1
1 646 . 5 1 1 A 61 61 PHE CB C 61 41.883 40.322 1.561 1
1 647 . 5 1 1 A 61 61 PHE N N 61 128.347 126.376 1.971 1
1 648 . 5 1 1 A 62 62 ILE H H 62 9.070 8.863 0.207 1
1 649 . 5 1 1 A 62 62 ILE HA H 62 4.587 4.664 -0.077 1
1 659 . 5 1 1 A 62 62 ILE CA C 62 60.903 60.169 0.734 1
1 660 . 5 1 1 A 62 62 ILE CB C 62 39.789 39.541 0.248 1
1 664 . 5 1 1 A 62 62 ILE N N 62 122.709 123.747 -1.038 1
1 665 . 5 1 1 A 63 63 GLY H H 63 9.303 9.033 0.270 1
1 666 . 5 1 1 A 63 63 GLY HA2 H 63 3.889 3.892 -0.003 1
1 667 . 5 1 1 A 63 63 GLY HA3 H 63 4.081 3.893 0.188 1
1 668 . 5 1 1 A 63 63 GLY CA C 63 47.216 47.365 -0.149 1
1 669 . 5 1 1 A 63 63 GLY N N 63 116.351 117.866 -1.515 1
1 670 . 5 1 1 A 64 64 SER H H 64 9.242 8.297 0.945 1
1 671 . 5 1 1 A 64 64 SER HA H 64 4.525 4.589 -0.064 1
1 674 . 5 1 1 A 64 64 SER CA C 64 59.046 58.159 0.887 1
1 675 . 5 1 1 A 64 64 SER CB C 64 63.900 64.192 -0.292 1
1 676 . 5 1 1 A 64 64 SER N N 64 122.307 121.556 0.751 1
1 677 . 5 1 1 A 65 65 VAL H H 65 8.475 7.639 0.836 1
1 678 . 5 1 1 A 65 65 VAL HA H 65 4.013 4.793 -0.780 1
1 686 . 5 1 1 A 65 65 VAL CA C 65 62.737 60.476 2.261 1
1 687 . 5 1 1 A 65 65 VAL CB C 65 33.308 35.783 -2.475 1
1 690 . 5 1 1 A 65 65 VAL N N 65 124.659 121.709 2.950 1
1 691 . 5 1 1 A 66 66 HIS H H 66 8.968 9.005 -0.037 1
1 692 . 5 1 1 A 66 66 HIS HA H 66 4.337 5.217 -0.880 1
1 698 . 5 1 1 A 66 66 HIS CA C 66 54.409 54.575 -0.166 1
1 699 . 5 1 1 A 66 66 HIS CB C 66 31.099 30.533 0.566 1
1 700 . 5 1 1 A 66 66 HIS N N 66 128.172 126.364 1.808 1
1 701 . 5 1 1 A 67 67 VAL H H 67 8.148 8.781 -0.633 1
1 702 . 5 1 1 A 67 67 VAL HA H 67 3.329 3.653 -0.324 1
1 710 . 5 1 1 A 67 67 VAL CA C 67 64.129 65.452 -1.323 1
1 711 . 5 1 1 A 67 67 VAL CB C 67 32.554 32.195 0.359 1
1 714 . 5 1 1 A 67 67 VAL N N 67 130.509 127.373 3.136 1
1 715 . 5 1 1 A 68 68 GLY H H 68 6.365 7.357 -0.992 1
1 716 . 5 1 1 A 68 68 GLY HA2 H 68 3.003 4.002 -0.999 1
1 717 . 5 1 1 A 68 68 GLY HA3 H 68 4.513 4.126 0.387 1
1 718 . 5 1 1 A 68 68 GLY CA C 68 43.722 46.016 -2.294 1
1 719 . 5 1 1 A 68 68 GLY N N 68 102.729 105.685 -2.956 1
1 720 . 5 1 1 A 69 69 GLY H H 69 9.087 8.550 0.537 1
1 721 . 5 1 1 A 69 69 GLY HA2 H 69 3.752 4.178 -0.426 1
1 722 . 5 1 1 A 69 69 GLY HA3 H 69 4.633 4.415 0.218 1
1 723 . 5 1 1 A 69 69 GLY CA C 69 43.851 45.465 -1.614 1
1 724 . 5 1 1 A 69 69 GLY N N 69 110.274 111.889 -1.615 1
1 725 . 5 1 1 A 70 70 CYS H H 70 8.467 8.979 -0.512 1
1 726 . 5 1 1 A 70 70 CYS HA H 70 3.806 4.148 -0.342 1
1 729 . 5 1 1 A 70 70 CYS CA C 70 63.366 62.546 0.820 1
1 730 . 5 1 1 A 70 70 CYS CB C 70 27.642 26.802 0.840 1
1 731 . 5 1 1 A 70 70 CYS N N 70 118.787 119.232 -0.445 1
1 732 . 5 1 1 A 71 71 ASP HA H 71 4.398 4.271 0.127 1
1 735 . 5 1 1 A 71 71 ASP CA C 71 57.405 57.683 -0.278 1
1 736 . 5 1 1 A 71 71 ASP CB C 71 39.058 41.961 -2.903 1
1 737 . 5 1 1 A 72 72 ASP H H 72 7.266 8.083 -0.817 1
1 738 . 5 1 1 A 72 72 ASP HA H 72 4.285 4.414 -0.129 1
1 741 . 5 1 1 A 72 72 ASP CA C 72 57.322 57.413 -0.091 1
1 742 . 5 1 1 A 72 72 ASP CB C 72 41.553 40.749 0.804 1
1 743 . 5 1 1 A 72 72 ASP N N 72 119.650 119.565 0.085 1
1 744 . 5 1 1 A 73 73 LEU H H 73 7.755 8.462 -0.707 1
1 745 . 5 1 1 A 73 73 LEU HA H 73 3.736 4.083 -0.347 1
1 755 . 5 1 1 A 73 73 LEU CA C 73 58.272 57.914 0.358 1
1 756 . 5 1 1 A 73 73 LEU CB C 73 41.995 41.797 0.198 1
1 760 . 5 1 1 A 73 73 LEU N N 73 121.526 121.338 0.188 1
1 761 . 5 1 1 A 74 74 TYR H H 74 8.244 8.470 -0.226 1
1 762 . 5 1 1 A 74 74 TYR HA H 74 3.697 4.090 -0.393 1
1 769 . 5 1 1 A 74 74 TYR CA C 74 62.802 61.507 1.295 1
1 770 . 5 1 1 A 74 74 TYR CB C 74 37.819 37.859 -0.040 1
1 771 . 5 1 1 A 74 74 TYR N N 74 116.552 118.081 -1.529 1
1 772 . 5 1 1 A 75 75 ALA H H 75 8.169 8.266 -0.097 1
1 773 . 5 1 1 A 75 75 ALA HA H 75 4.286 4.178 0.108 1
1 777 . 5 1 1 A 75 75 ALA CA C 75 55.465 54.948 0.517 1
1 778 . 5 1 1 A 75 75 ALA CB C 75 17.722 18.492 -0.770 1
1 779 . 5 1 1 A 75 75 ALA N N 75 122.825 123.278 -0.453 1
1 780 . 5 1 1 A 76 76 LEU H H 76 7.353 8.405 -1.052 1
1 781 . 5 1 1 A 76 76 LEU HA H 76 4.003 4.060 -0.057 1
1 791 . 5 1 1 A 76 76 LEU CA C 76 57.687 57.837 -0.150 1
1 792 . 5 1 1 A 76 76 LEU CB C 76 42.753 41.615 1.138 1
1 796 . 5 1 1 A 76 76 LEU N N 76 116.756 120.709 -3.953 1
1 797 . 5 1 1 A 77 77 GLU H H 77 7.420 8.374 -0.954 1
1 798 . 5 1 1 A 77 77 GLU HA H 77 4.575 4.050 0.525 1
1 803 . 5 1 1 A 77 77 GLU CA C 77 57.962 58.952 -0.990 1
1 804 . 5 1 1 A 77 77 GLU CB C 77 28.292 28.752 -0.460 1
1 806 . 5 1 1 A 77 77 GLU N N 77 121.356 117.451 3.905 1
1 807 . 5 1 1 A 78 78 ASP H H 78 8.637 7.579 1.058 1
1 808 . 5 1 1 A 78 78 ASP HA H 78 4.399 4.389 0.010 1
1 811 . 5 1 1 A 78 78 ASP CA C 78 57.569 56.449 1.120 1
1 812 . 5 1 1 A 78 78 ASP CB C 78 40.715 40.694 0.021 1
1 813 . 5 1 1 A 78 78 ASP N N 78 123.396 120.634 2.762 1
1 814 . 5 1 1 A 79 79 GLU H H 79 7.773 8.022 -0.249 1
1 815 . 5 1 1 A 79 79 GLU HA H 79 4.283 4.396 -0.113 1
1 820 . 5 1 1 A 79 79 GLU CA C 79 56.357 56.084 0.273 1
1 821 . 5 1 1 A 79 79 GLU CB C 79 30.855 30.444 0.411 1
1 823 . 5 1 1 A 79 79 GLU N N 79 115.336 116.336 -1.000 1
1 824 . 5 1 1 A 80 80 GLY H H 80 8.050 7.765 0.285 1
1 825 . 5 1 1 A 80 80 GLY HA2 H 80 4.031 3.869 0.162 1
1 826 . 5 1 1 A 80 80 GLY HA3 H 80 4.031 3.870 0.161 1
1 827 . 5 1 1 A 80 80 GLY CA C 80 46.314 46.583 -0.269 1
1 828 . 5 1 1 A 80 80 GLY N N 80 108.957 108.543 0.414 1
1 829 . 5 1 1 A 81 81 LYS H H 81 8.188 7.579 0.609 1
1 830 . 5 1 1 A 81 81 LYS HA H 81 4.415 4.394 0.021 1
1 839 . 5 1 1 A 81 81 LYS CA C 81 56.716 56.481 0.235 1
1 840 . 5 1 1 A 81 81 LYS CB C 81 35.935 32.870 3.065 1
1 844 . 5 1 1 A 81 81 LYS N N 81 116.879 118.309 -1.430 1
1 845 . 5 1 1 A 82 82 LEU H H 82 7.499 7.996 -0.497 1
1 846 . 5 1 1 A 82 82 LEU HA H 82 3.977 4.005 -0.028 1
1 856 . 5 1 1 A 82 82 LEU CA C 82 57.480 57.926 -0.446 1
1 857 . 5 1 1 A 82 82 LEU CB C 82 40.489 41.388 -0.899 1
1 861 . 5 1 1 A 82 82 LEU N N 82 122.734 122.231 0.503 1
1 862 . 5 1 1 A 83 83 ASP H H 83 8.625 8.287 0.338 1
1 863 . 5 1 1 A 83 83 ASP HA H 83 4.248 4.388 -0.140 1
1 866 . 5 1 1 A 83 83 ASP CA C 83 58.680 57.762 0.918 1
1 867 . 5 1 1 A 83 83 ASP CB C 83 40.149 42.025 -1.876 1
1 868 . 5 1 1 A 83 83 ASP N N 83 119.728 119.437 0.291 1
1 869 . 5 1 1 A 84 84 SER H H 84 8.426 7.882 0.544 1
1 870 . 5 1 1 A 84 84 SER HA H 84 4.219 4.305 -0.086 1
1 873 . 5 1 1 A 84 84 SER CA C 84 61.473 61.721 -0.248 1
1 874 . 5 1 1 A 84 84 SER CB C 84 62.589 63.246 -0.657 1
1 875 . 5 1 1 A 84 84 SER N N 84 113.454 116.074 -2.620 1
1 876 . 5 1 1 A 85 85 LEU H H 85 7.551 7.915 -0.364 1
1 877 . 5 1 1 A 85 85 LEU HA H 85 4.319 4.082 0.237 1
1 887 . 5 1 1 A 85 85 LEU CA C 85 58.355 57.878 0.477 1
1 888 . 5 1 1 A 85 85 LEU CB C 85 41.588 41.681 -0.093 1
1 892 . 5 1 1 A 85 85 LEU N N 85 126.500 122.156 4.344 1
1 893 . 5 1 1 A 86 86 LEU H H 86 8.382 7.827 0.555 1
1 894 . 5 1 1 A 86 86 LEU HA H 86 3.827 4.099 -0.272 1
1 904 . 5 1 1 A 86 86 LEU CA C 86 57.826 57.683 0.143 1
1 905 . 5 1 1 A 86 86 LEU CB C 86 41.840 41.398 0.442 1
1 909 . 5 1 1 A 86 86 LEU N N 86 117.962 116.760 1.202 1
1 910 . 5 1 1 A 87 87 LYS H H 87 7.522 7.668 -0.146 1
1 911 . 5 1 1 A 87 87 LYS HA H 87 4.331 4.161 0.170 1
1 920 . 5 1 1 A 87 87 LYS CA C 87 58.325 58.767 -0.442 1
1 921 . 5 1 1 A 87 87 LYS CB C 87 34.043 32.910 1.133 1
1 925 . 5 1 1 A 87 87 LYS N N 87 114.198 118.659 -4.461 1
1 926 . 5 1 1 A 88 88 THR H H 88 8.165 8.201 -0.036 1
1 927 . 5 1 1 A 88 88 THR HA H 88 4.507 4.462 0.045 1
1 932 . 5 1 1 A 88 88 THR CA C 88 62.385 62.467 -0.082 1
1 933 . 5 1 1 A 88 88 THR CB C 88 72.525 70.721 1.804 1
1 935 . 5 1 1 A 88 88 THR N N 88 106.021 108.473 -2.452 1
1 936 . 5 1 1 A 89 89 GLY H H 89 9.139 8.994 0.145 1
1 937 . 5 1 1 A 89 89 GLY HA2 H 89 3.612 3.923 -0.311 1
1 938 . 5 1 1 A 89 89 GLY HA3 H 89 4.204 3.930 0.274 1
1 939 . 5 1 1 A 89 89 GLY CA C 89 46.770 45.864 0.906 1
1 940 . 5 1 1 A 89 89 GLY N N 89 112.926 112.086 0.840 1
1 941 . 5 1 1 A 90 90 LYS H H 90 7.933 7.085 0.848 1
1 942 . 5 1 1 A 90 90 LYS HA H 90 4.459 4.775 -0.316 1
1 951 . 5 1 1 A 90 90 LYS CA C 90 54.576 54.925 -0.349 1
1 952 . 5 1 1 A 90 90 LYS CB C 90 35.788 35.279 0.509 1
1 956 . 5 1 1 A 90 90 LYS N N 90 117.810 115.268 2.542 1
1 957 . 5 1 1 A 91 91 LEU H H 91 8.487 8.642 -0.155 1
1 958 . 5 1 1 A 91 91 LEU HA H 91 4.423 5.282 -0.859 1
1 968 . 5 1 1 A 91 91 LEU CA C 91 54.491 52.805 1.686 1
1 969 . 5 1 1 A 91 91 LEU CB C 91 43.083 46.207 -3.124 1
1 973 . 5 1 1 A 91 91 LEU N N 91 123.364 116.533 6.831 1
1 1 . 6 1 1 A 2 2 PRO HA H 2 4.444 4.463 -0.019 1
1 8 . 6 1 1 A 2 2 PRO CA C 2 63.468 64.071 -0.603 1
1 9 . 6 1 1 A 2 2 PRO CB C 2 32.153 32.120 0.033 1
1 12 . 6 1 1 A 3 3 GLY H H 3 8.672 7.863 0.809 1
1 13 . 6 1 1 A 3 3 GLY HA2 H 3 4.759 4.010 0.749 1
1 14 . 6 1 1 A 3 3 GLY HA3 H 3 4.759 4.011 0.748 1
1 15 . 6 1 1 A 3 3 GLY CA C 3 45.323 45.458 -0.135 1
1 16 . 6 1 1 A 3 3 GLY N N 3 110.465 109.055 1.410 1
1 17 . 6 1 1 A 4 4 SER H H 4 8.201 8.156 0.045 1
1 18 . 6 1 1 A 4 4 SER HA H 4 4.454 4.446 0.008 1
1 21 . 6 1 1 A 4 4 SER CA C 4 58.370 59.712 -1.342 1
1 22 . 6 1 1 A 4 4 SER CB C 4 64.049 63.689 0.360 1
1 23 . 6 1 1 A 4 4 SER N N 4 115.747 117.254 -1.507 1
1 24 . 6 1 1 A 5 5 MET H H 5 8.315 8.789 -0.474 1
1 25 . 6 1 1 A 5 5 MET HA H 5 4.675 5.135 -0.460 1
1 30 . 6 1 1 A 5 5 MET CA C 5 55.466 54.451 1.015 1
1 31 . 6 1 1 A 5 5 MET CB C 5 34.462 36.016 -1.554 1
1 33 . 6 1 1 A 5 5 MET N N 5 121.679 125.379 -3.700 1
1 34 . 6 1 1 A 6 6 VAL H H 6 8.169 8.789 -0.620 1
1 35 . 6 1 1 A 6 6 VAL HA H 6 4.141 4.822 -0.681 1
1 43 . 6 1 1 A 6 6 VAL CA C 6 61.395 58.767 2.628 1
1 44 . 6 1 1 A 6 6 VAL CB C 6 32.669 35.417 -2.748 1
1 47 . 6 1 1 A 6 6 VAL N N 6 118.330 118.239 0.091 1
1 48 . 6 1 1 A 7 7 ASP H H 7 8.335 8.717 -0.382 1
1 49 . 6 1 1 A 7 7 ASP HA H 7 4.526 4.901 -0.375 1
1 52 . 6 1 1 A 7 7 ASP CA C 7 55.023 54.577 0.446 1
1 53 . 6 1 1 A 7 7 ASP CB C 7 41.455 41.220 0.235 1
1 54 . 6 1 1 A 7 7 ASP N N 7 122.032 122.091 -0.059 1
1 55 . 6 1 1 A 8 8 VAL H H 8 8.662 8.935 -0.273 1
1 56 . 6 1 1 A 8 8 VAL HA H 8 4.947 5.233 -0.286 1
1 64 . 6 1 1 A 8 8 VAL CA C 8 61.415 61.039 0.376 1
1 65 . 6 1 1 A 8 8 VAL CB C 8 33.703 34.352 -0.649 1
1 68 . 6 1 1 A 8 8 VAL N N 8 124.216 125.521 -1.305 1
1 69 . 6 1 1 A 9 9 ILE H H 9 9.311 9.094 0.217 1
1 70 . 6 1 1 A 9 9 ILE HA H 9 4.963 5.010 -0.047 1
1 80 . 6 1 1 A 9 9 ILE CA C 9 59.648 60.129 -0.481 1
1 81 . 6 1 1 A 9 9 ILE CB C 9 41.374 42.325 -0.951 1
1 85 . 6 1 1 A 9 9 ILE N N 9 129.869 126.586 3.283 1
1 86 . 6 1 1 A 10 10 ILE H H 10 8.720 9.391 -0.671 1
1 87 . 6 1 1 A 10 10 ILE HA H 10 5.442 5.208 0.234 1
1 97 . 6 1 1 A 10 10 ILE CA C 10 58.153 58.495 -0.342 1
1 98 . 6 1 1 A 10 10 ILE CB C 10 41.947 41.066 0.881 1
1 102 . 6 1 1 A 10 10 ILE N N 10 123.598 129.149 -5.551 1
1 103 . 6 1 1 A 11 11 TYR H H 11 9.340 9.139 0.201 1
1 104 . 6 1 1 A 11 11 TYR HA H 11 5.667 5.571 0.096 1
1 111 . 6 1 1 A 11 11 TYR CA C 11 57.300 56.525 0.775 1
1 112 . 6 1 1 A 11 11 TYR CB C 11 40.550 39.951 0.599 1
1 113 . 6 1 1 A 11 11 TYR N N 11 128.888 128.308 0.580 1
1 114 . 6 1 1 A 12 12 THR H H 12 9.374 8.775 0.599 1
1 115 . 6 1 1 A 12 12 THR HA H 12 5.277 4.939 0.338 1
1 120 . 6 1 1 A 12 12 THR CA C 12 59.567 59.739 -0.172 1
1 121 . 6 1 1 A 12 12 THR CB C 12 72.183 71.933 0.250 1
1 123 . 6 1 1 A 12 12 THR N N 12 112.083 117.904 -5.821 1
1 124 . 6 1 1 A 13 13 ARG H H 13 7.379 8.769 -1.390 1
1 125 . 6 1 1 A 13 13 ARG HA H 13 4.779 5.013 -0.234 1
1 132 . 6 1 1 A 13 13 ARG CA C 13 52.961 53.672 -0.711 1
1 133 . 6 1 1 A 13 13 ARG CB C 13 31.374 31.820 -0.446 1
1 136 . 6 1 1 A 13 13 ARG N N 13 113.131 124.066 -10.935 1
1 137 . 6 1 1 A 14 14 PRO HA H 14 4.276 4.263 0.013 1
1 144 . 6 1 1 A 14 14 PRO CA C 14 63.498 63.764 -0.266 1
1 145 . 6 1 1 A 14 14 PRO CB C 14 32.015 31.266 0.749 1
1 148 . 6 1 1 A 15 15 GLY H H 15 8.672 8.848 -0.176 1
1 149 . 6 1 1 A 15 15 GLY HA2 H 15 3.946 3.869 0.077 1
1 150 . 6 1 1 A 15 15 GLY HA3 H 15 3.946 3.874 0.072 1
1 151 . 6 1 1 A 15 15 GLY N N 15 110.274 112.288 -2.014 1
1 152 . 6 1 1 A 16 16 CYS H H 16 6.985 7.495 -0.510 1
1 153 . 6 1 1 A 16 16 CYS HA H 16 4.769 4.688 0.081 1
1 156 . 6 1 1 A 16 16 CYS CA C 16 56.315 56.133 0.182 1
1 157 . 6 1 1 A 16 16 CYS CB C 16 31.724 28.734 2.990 1
1 158 . 6 1 1 A 16 16 CYS N N 16 124.357 119.565 4.792 1
1 159 . 6 1 1 A 17 17 PRO HA H 17 4.417 4.265 0.152 1
1 166 . 6 1 1 A 17 17 PRO CA C 17 64.516 65.538 -1.022 1
1 167 . 6 1 1 A 17 17 PRO CB C 17 32.205 31.479 0.726 1
1 170 . 6 1 1 A 18 18 TYR H H 18 9.273 7.421 1.852 1
1 171 . 6 1 1 A 18 18 TYR HA H 18 4.375 4.194 0.181 1
1 178 . 6 1 1 A 18 18 TYR CA C 18 61.227 61.492 -0.265 1
1 179 . 6 1 1 A 18 18 TYR CB C 18 38.025 37.575 0.450 1
1 180 . 6 1 1 A 18 18 TYR N N 18 127.619 117.599 10.020 1
1 181 . 6 1 1 A 19 19 CYS H H 19 9.854 8.239 1.615 1
1 182 . 6 1 1 A 19 19 CYS HA H 19 3.870 4.065 -0.195 1
1 185 . 6 1 1 A 19 19 CYS CA C 19 64.810 62.942 1.868 1
1 186 . 6 1 1 A 19 19 CYS CB C 19 29.498 27.264 2.234 1
1 187 . 6 1 1 A 19 19 CYS N N 19 128.016 119.331 8.685 1
1 188 . 6 1 1 A 20 20 ALA H H 20 7.948 7.940 0.008 1
1 189 . 6 1 1 A 20 20 ALA HA H 20 3.995 3.980 0.015 1
1 193 . 6 1 1 A 20 20 ALA CA C 20 55.804 55.398 0.406 1
1 194 . 6 1 1 A 20 20 ALA CB C 20 18.201 18.438 -0.237 1
1 195 . 6 1 1 A 20 20 ALA N N 20 121.373 122.460 -1.087 1
1 196 . 6 1 1 A 21 21 ARG H H 21 8.064 7.824 0.240 1
1 197 . 6 1 1 A 21 21 ARG HA H 21 4.159 4.110 0.049 1
1 204 . 6 1 1 A 21 21 ARG CA C 21 59.500 59.682 -0.182 1
1 205 . 6 1 1 A 21 21 ARG CB C 21 30.535 30.240 0.295 1
1 208 . 6 1 1 A 21 21 ARG N N 21 119.886 117.749 2.137 1
1 209 . 6 1 1 A 22 22 ALA H H 22 8.342 7.671 0.671 1
1 210 . 6 1 1 A 22 22 ALA HA H 22 4.174 4.168 0.006 1
1 214 . 6 1 1 A 22 22 ALA CA C 22 55.658 55.343 0.315 1
1 215 . 6 1 1 A 22 22 ALA CB C 22 19.485 18.215 1.270 1
1 216 . 6 1 1 A 22 22 ALA N N 22 125.852 121.922 3.930 1
1 217 . 6 1 1 A 23 23 LYS H H 23 7.968 8.165 -0.197 1
1 218 . 6 1 1 A 23 23 LYS HA H 23 3.243 3.658 -0.415 1
1 227 . 6 1 1 A 23 23 LYS CA C 23 60.699 59.375 1.324 1
1 228 . 6 1 1 A 23 23 LYS CB C 23 31.640 32.395 -0.755 1
1 232 . 6 1 1 A 23 23 LYS N N 23 116.539 117.052 -0.513 1
1 233 . 6 1 1 A 24 24 ALA H H 24 8.027 7.978 0.049 1
1 234 . 6 1 1 A 24 24 ALA HA H 24 4.152 4.233 -0.081 1
1 238 . 6 1 1 A 24 24 ALA CA C 24 55.067 55.111 -0.044 1
1 239 . 6 1 1 A 24 24 ALA CB C 24 18.039 18.466 -0.427 1
1 240 . 6 1 1 A 24 24 ALA N N 24 120.099 122.362 -2.263 1
1 241 . 6 1 1 A 25 25 LEU H H 25 7.184 8.221 -1.037 1
1 242 . 6 1 1 A 25 25 LEU HA H 25 4.089 4.144 -0.055 1
1 252 . 6 1 1 A 25 25 LEU CA C 25 57.761 57.800 -0.039 1
1 253 . 6 1 1 A 25 25 LEU CB C 25 40.444 41.677 -1.233 1
1 257 . 6 1 1 A 25 25 LEU N N 25 119.676 120.250 -0.574 1
1 258 . 6 1 1 A 26 26 LEU H H 26 7.477 8.214 -0.737 1
1 259 . 6 1 1 A 26 26 LEU HA H 26 3.701 4.244 -0.543 1
1 269 . 6 1 1 A 26 26 LEU CA C 26 58.523 57.590 0.933 1
1 270 . 6 1 1 A 26 26 LEU CB C 26 41.105 40.752 0.353 1
1 274 . 6 1 1 A 26 26 LEU N N 26 117.225 118.474 -1.249 1
1 275 . 6 1 1 A 27 27 ALA H H 27 8.657 8.210 0.447 1
1 276 . 6 1 1 A 27 27 ALA HA H 27 4.368 4.218 0.150 1
1 280 . 6 1 1 A 27 27 ALA CA C 27 55.066 55.099 -0.033 1
1 281 . 6 1 1 A 27 27 ALA CB C 27 18.137 18.400 -0.263 1
1 282 . 6 1 1 A 27 27 ALA N N 27 119.692 122.251 -2.559 1
1 283 . 6 1 1 A 28 28 ARG H H 28 8.048 8.097 -0.049 1
1 284 . 6 1 1 A 28 28 ARG HA H 28 4.110 4.047 0.063 1
1 291 . 6 1 1 A 28 28 ARG CA C 28 59.249 59.514 -0.265 1
1 292 . 6 1 1 A 28 28 ARG CB C 28 29.962 30.030 -0.068 1
1 295 . 6 1 1 A 28 28 ARG N N 28 121.433 119.127 2.306 1
1 296 . 6 1 1 A 29 29 LYS H H 29 7.660 7.923 -0.263 1
1 297 . 6 1 1 A 29 29 LYS HA H 29 4.192 4.246 -0.054 1
1 306 . 6 1 1 A 29 29 LYS CA C 29 54.864 55.862 -0.998 1
1 307 . 6 1 1 A 29 29 LYS CB C 29 31.476 32.138 -0.662 1
1 311 . 6 1 1 A 29 29 LYS N N 29 115.942 115.981 -0.039 1
1 312 . 6 1 1 A 30 30 GLY H H 30 7.919 7.774 0.145 1
1 313 . 6 1 1 A 30 30 GLY HA2 H 30 3.734 3.964 -0.230 1
1 314 . 6 1 1 A 30 30 GLY HA3 H 30 4.013 3.967 0.046 1
1 315 . 6 1 1 A 30 30 GLY CA C 30 45.497 45.114 0.383 1
1 316 . 6 1 1 A 30 30 GLY N N 30 107.837 109.115 -1.278 1
1 317 . 6 1 1 A 31 31 ALA H H 31 7.830 7.762 0.068 1
1 318 . 6 1 1 A 31 31 ALA HA H 31 4.446 4.294 0.152 1
1 322 . 6 1 1 A 31 31 ALA CA C 31 51.562 52.511 -0.949 1
1 323 . 6 1 1 A 31 31 ALA CB C 31 19.964 19.117 0.847 1
1 324 . 6 1 1 A 31 31 ALA N N 31 122.333 123.995 -1.662 1
1 325 . 6 1 1 A 32 32 GLU H H 32 8.322 8.654 -0.332 1
1 326 . 6 1 1 A 32 32 GLU HA H 32 4.173 4.378 -0.205 1
1 331 . 6 1 1 A 32 32 GLU CA C 32 55.621 56.352 -0.731 1
1 332 . 6 1 1 A 32 32 GLU CB C 32 29.734 30.137 -0.403 1
1 334 . 6 1 1 A 32 32 GLU N N 32 124.383 123.789 0.594 1
1 335 . 6 1 1 A 33 33 PHE H H 33 7.623 8.487 -0.864 1
1 336 . 6 1 1 A 33 33 PHE HA H 33 5.151 5.524 -0.373 1
1 344 . 6 1 1 A 33 33 PHE CA C 33 55.106 55.365 -0.259 1
1 345 . 6 1 1 A 33 33 PHE CB C 33 41.937 42.509 -0.572 1
1 346 . 6 1 1 A 33 33 PHE N N 33 116.953 119.727 -2.774 1
1 347 . 6 1 1 A 34 34 ASN H H 34 8.938 8.856 0.082 1
1 348 . 6 1 1 A 34 34 ASN HA H 34 4.897 4.964 -0.067 1
1 353 . 6 1 1 A 34 34 ASN CA C 34 52.081 53.161 -1.080 1
1 354 . 6 1 1 A 34 34 ASN CB C 34 39.784 39.600 0.184 1
1 355 . 6 1 1 A 34 34 ASN N N 34 120.410 120.455 -0.045 1
1 357 . 6 1 1 A 35 35 GLU H H 35 8.764 8.920 -0.156 1
1 358 . 6 1 1 A 35 35 GLU HA H 35 5.135 4.939 0.196 1
1 363 . 6 1 1 A 35 35 GLU CA C 35 54.519 56.006 -1.487 1
1 364 . 6 1 1 A 35 35 GLU CB C 35 31.306 30.740 0.566 1
1 366 . 6 1 1 A 35 35 GLU N N 35 126.769 127.487 -0.718 1
1 367 . 6 1 1 A 36 36 ILE H H 36 8.975 8.587 0.388 1
1 368 . 6 1 1 A 36 36 ILE HA H 36 4.108 4.746 -0.638 1
1 378 . 6 1 1 A 36 36 ILE CA C 36 60.156 58.911 1.245 1
1 379 . 6 1 1 A 36 36 ILE CB C 36 40.382 41.870 -1.488 1
1 383 . 6 1 1 A 36 36 ILE N N 36 130.393 127.076 3.317 1
1 384 . 6 1 1 A 37 37 ASP H H 37 8.494 8.610 -0.116 1
1 385 . 6 1 1 A 37 37 ASP HA H 37 4.965 5.177 -0.212 1
1 388 . 6 1 1 A 37 37 ASP CA C 37 52.537 52.648 -0.111 1
1 389 . 6 1 1 A 37 37 ASP CB C 37 39.350 43.151 -3.801 1
1 390 . 6 1 1 A 37 37 ASP N N 37 125.910 124.052 1.858 1
1 391 . 6 1 1 A 38 38 ALA H H 38 8.764 8.049 0.715 1
1 392 . 6 1 1 A 38 38 ALA HA H 38 4.621 4.261 0.360 1
1 396 . 6 1 1 A 38 38 ALA CA C 38 51.729 52.799 -1.070 1
1 397 . 6 1 1 A 38 38 ALA CB C 38 20.588 20.811 -0.223 1
1 398 . 6 1 1 A 38 38 ALA N N 38 130.164 123.569 6.595 1
1 399 . 6 1 1 A 39 39 SER H H 39 8.668 8.126 0.542 1
1 400 . 6 1 1 A 39 39 SER HA H 39 4.469 4.109 0.360 1
1 403 . 6 1 1 A 39 39 SER CA C 39 59.342 61.108 -1.766 1
1 404 . 6 1 1 A 39 39 SER CB C 39 64.938 63.154 1.784 1
1 405 . 6 1 1 A 39 39 SER N N 39 111.397 113.750 -2.353 1
1 406 . 6 1 1 A 40 40 ALA H H 40 7.466 7.777 -0.311 1
1 407 . 6 1 1 A 40 40 ALA HA H 40 4.136 4.080 0.056 1
1 411 . 6 1 1 A 40 40 ALA CA C 40 55.000 54.832 0.168 1
1 412 . 6 1 1 A 40 40 ALA CB C 40 20.463 18.716 1.747 1
1 413 . 6 1 1 A 40 40 ALA N N 40 124.335 122.024 2.311 1
1 414 . 6 1 1 A 41 41 THR H H 41 7.098 7.428 -0.330 1
1 415 . 6 1 1 A 41 41 THR HA H 41 4.978 4.886 0.092 1
1 420 . 6 1 1 A 41 41 THR CA C 41 57.841 58.848 -1.007 1
1 421 . 6 1 1 A 41 41 THR CB C 41 70.742 71.019 -0.277 1
1 423 . 6 1 1 A 41 41 THR N N 41 105.166 107.401 -2.235 1
1 424 . 6 1 1 A 42 42 PRO HA H 42 4.299 4.341 -0.042 1
1 431 . 6 1 1 A 42 42 PRO CA C 42 64.586 65.343 -0.757 1
1 432 . 6 1 1 A 42 42 PRO CB C 42 31.963 31.946 0.017 1
1 435 . 6 1 1 A 43 43 GLU H H 43 8.997 8.446 0.551 1
1 436 . 6 1 1 A 43 43 GLU HA H 43 4.052 4.105 -0.053 1
1 441 . 6 1 1 A 43 43 GLU CA C 43 60.694 59.583 1.111 1
1 442 . 6 1 1 A 43 43 GLU CB C 43 28.709 29.247 -0.538 1
1 444 . 6 1 1 A 43 43 GLU N N 43 118.804 118.041 0.763 1
1 445 . 6 1 1 A 44 44 LEU H H 44 7.882 8.441 -0.559 1
1 446 . 6 1 1 A 44 44 LEU HA H 44 4.285 4.048 0.237 1
1 456 . 6 1 1 A 44 44 LEU CA C 44 57.573 57.965 -0.392 1
1 457 . 6 1 1 A 44 44 LEU CB C 44 42.548 41.573 0.975 1
1 461 . 6 1 1 A 44 44 LEU N N 44 122.381 120.241 2.140 1
1 462 . 6 1 1 A 45 45 ARG H H 45 7.709 7.592 0.117 1
1 463 . 6 1 1 A 45 45 ARG HA H 45 4.026 4.137 -0.111 1
1 470 . 6 1 1 A 45 45 ARG CA C 45 60.055 58.973 1.082 1
1 471 . 6 1 1 A 45 45 ARG CB C 45 29.943 29.570 0.373 1
1 474 . 6 1 1 A 45 45 ARG N N 45 122.487 121.240 1.247 1
1 475 . 6 1 1 A 46 46 ALA H H 46 8.144 8.105 0.039 1
1 476 . 6 1 1 A 46 46 ALA HA H 46 4.074 4.389 -0.315 1
1 480 . 6 1 1 A 46 46 ALA CA C 46 54.865 55.444 -0.579 1
1 481 . 6 1 1 A 46 46 ALA CB C 46 17.777 18.259 -0.482 1
1 482 . 6 1 1 A 46 46 ALA N N 46 121.132 122.341 -1.209 1
1 483 . 6 1 1 A 47 47 GLU H H 47 7.902 8.040 -0.138 1
1 484 . 6 1 1 A 47 47 GLU HA H 47 3.995 4.083 -0.088 1
1 489 . 6 1 1 A 47 47 GLU CA C 47 59.524 59.392 0.132 1
1 490 . 6 1 1 A 47 47 GLU CB C 47 29.915 28.781 1.134 1
1 492 . 6 1 1 A 47 47 GLU N N 47 121.104 116.873 4.231 1
1 493 . 6 1 1 A 48 48 MET H H 48 7.984 8.177 -0.193 1
1 494 . 6 1 1 A 48 48 MET HA H 48 2.786 4.468 -1.682 1
1 499 . 6 1 1 A 48 48 MET CA C 48 59.662 58.444 1.218 1
1 500 . 6 1 1 A 48 48 MET CB C 48 33.701 32.224 1.477 1
1 502 . 6 1 1 A 48 48 MET N N 48 118.769 120.322 -1.553 1
1 503 . 6 1 1 A 49 49 GLN H H 49 8.209 8.609 -0.400 1
1 504 . 6 1 1 A 49 49 GLN HA H 49 4.299 4.230 0.069 1
1 511 . 6 1 1 A 49 49 GLN CA C 49 58.669 58.135 0.534 1
1 512 . 6 1 1 A 49 49 GLN CB C 49 28.742 27.966 0.776 1
1 514 . 6 1 1 A 49 49 GLN N N 49 122.155 116.765 5.390 1
1 516 . 6 1 1 A 50 50 GLU H H 50 8.671 7.985 0.686 1
1 517 . 6 1 1 A 50 50 GLU HA H 50 3.904 4.129 -0.225 1
1 522 . 6 1 1 A 50 50 GLU CA C 50 59.156 59.059 0.097 1
1 523 . 6 1 1 A 50 50 GLU CB C 50 29.504 29.088 0.416 1
1 525 . 6 1 1 A 50 50 GLU N N 50 122.081 120.219 1.862 1
1 526 . 6 1 1 A 51 51 ARG H H 51 8.244 7.984 0.260 1
1 527 . 6 1 1 A 51 51 ARG HA H 51 3.993 4.259 -0.266 1
1 534 . 6 1 1 A 51 51 ARG CA C 51 58.503 58.375 0.128 1
1 535 . 6 1 1 A 51 51 ARG CB C 51 31.363 31.204 0.159 1
1 538 . 6 1 1 A 51 51 ARG N N 51 115.848 119.809 -3.961 1
1 539 . 6 1 1 A 52 52 SER H H 52 7.994 7.261 0.733 1
1 540 . 6 1 1 A 52 52 SER HA H 52 3.674 4.250 -0.576 1
1 543 . 6 1 1 A 52 52 SER CA C 52 58.897 58.955 -0.058 1
1 544 . 6 1 1 A 52 52 SER CB C 52 66.908 63.395 3.513 1
1 545 . 6 1 1 A 52 52 SER N N 52 109.721 111.721 -2.000 1
1 546 . 6 1 1 A 53 53 GLY H H 53 8.205 8.953 -0.748 1
1 547 . 6 1 1 A 53 53 GLY HA2 H 53 3.815 3.833 -0.018 1
1 548 . 6 1 1 A 53 53 GLY HA3 H 53 4.063 3.861 0.202 1
1 549 . 6 1 1 A 53 53 GLY CA C 53 46.182 45.590 0.592 1
1 550 . 6 1 1 A 53 53 GLY N N 53 112.716 108.911 3.805 1
1 551 . 6 1 1 A 54 54 ARG H H 54 8.323 7.738 0.585 1
1 552 . 6 1 1 A 54 54 ARG HA H 54 4.595 4.804 -0.209 1
1 559 . 6 1 1 A 54 54 ARG CA C 54 54.426 53.942 0.484 1
1 560 . 6 1 1 A 54 54 ARG CB C 54 35.418 33.292 2.126 1
1 563 . 6 1 1 A 54 54 ARG N N 54 119.629 120.024 -0.395 1
1 564 . 6 1 1 A 55 55 ASN H H 55 8.184 8.434 -0.250 1
1 565 . 6 1 1 A 55 55 ASN HA H 55 4.692 4.453 0.239 1
1 570 . 6 1 1 A 55 55 ASN CA C 55 51.458 56.415 -4.957 1
1 571 . 6 1 1 A 55 55 ASN N N 55 112.763 118.990 -6.227 1
1 573 . 6 1 1 A 56 56 THR H H 56 6.730 7.920 -1.190 1
1 574 . 6 1 1 A 56 56 THR HA H 56 4.309 4.868 -0.559 1
1 579 . 6 1 1 A 56 56 THR CA C 56 59.120 60.968 -1.848 1
1 580 . 6 1 1 A 56 56 THR CB C 56 70.754 71.206 -0.452 1
1 582 . 6 1 1 A 56 56 THR N N 56 107.946 107.803 0.143 1
1 583 . 6 1 1 A 57 57 PHE H H 57 8.568 9.099 -0.531 1
1 584 . 6 1 1 A 57 57 PHE HA H 57 4.641 5.135 -0.494 1
1 592 . 6 1 1 A 57 57 PHE CA C 57 54.923 55.355 -0.432 1
1 593 . 6 1 1 A 57 57 PHE CB C 57 41.272 40.593 0.679 1
1 594 . 6 1 1 A 57 57 PHE N N 57 117.566 118.575 -1.009 1
1 595 . 6 1 1 A 58 58 PRO HA H 58 5.604 4.705 0.899 1
1 602 . 6 1 1 A 58 58 PRO CA C 58 62.749 62.703 0.046 1
1 603 . 6 1 1 A 58 58 PRO CB C 58 36.563 31.839 4.724 1
1 606 . 6 1 1 A 59 59 GLN H H 59 7.926 8.433 -0.507 1
1 607 . 6 1 1 A 59 59 GLN HA H 59 4.813 4.733 0.080 1
1 614 . 6 1 1 A 59 59 GLN CA C 59 55.111 54.777 0.334 1
1 615 . 6 1 1 A 59 59 GLN CB C 59 31.737 30.652 1.085 1
1 617 . 6 1 1 A 59 59 GLN N N 59 112.301 121.293 -8.992 1
1 619 . 6 1 1 A 60 60 ILE H H 60 8.936 8.886 0.050 1
1 620 . 6 1 1 A 60 60 ILE HA H 60 4.933 4.239 0.694 1
1 630 . 6 1 1 A 60 60 ILE CA C 60 61.288 60.031 1.257 1
1 631 . 6 1 1 A 60 60 ILE CB C 60 40.912 38.671 2.241 1
1 635 . 6 1 1 A 60 60 ILE N N 60 123.133 124.314 -1.181 1
1 636 . 6 1 1 A 61 61 PHE H H 61 9.629 8.828 0.801 1
1 637 . 6 1 1 A 61 61 PHE HA H 61 5.354 5.143 0.211 1
1 645 . 6 1 1 A 61 61 PHE CA C 61 56.630 57.140 -0.510 1
1 646 . 6 1 1 A 61 61 PHE CB C 61 41.883 40.093 1.790 1
1 647 . 6 1 1 A 61 61 PHE N N 61 128.347 126.885 1.462 1
1 648 . 6 1 1 A 62 62 ILE H H 62 9.070 8.841 0.229 1
1 649 . 6 1 1 A 62 62 ILE HA H 62 4.587 4.568 0.019 1
1 659 . 6 1 1 A 62 62 ILE CA C 62 60.903 60.142 0.761 1
1 660 . 6 1 1 A 62 62 ILE CB C 62 39.789 39.392 0.397 1
1 664 . 6 1 1 A 62 62 ILE N N 62 122.709 123.757 -1.048 1
1 665 . 6 1 1 A 63 63 GLY H H 63 9.303 8.717 0.586 1
1 666 . 6 1 1 A 63 63 GLY HA2 H 63 3.889 3.884 0.005 1
1 667 . 6 1 1 A 63 63 GLY HA3 H 63 4.081 3.885 0.196 1
1 668 . 6 1 1 A 63 63 GLY CA C 63 47.216 47.352 -0.136 1
1 669 . 6 1 1 A 63 63 GLY N N 63 116.351 118.135 -1.784 1
1 670 . 6 1 1 A 64 64 SER H H 64 9.242 8.235 1.007 1
1 671 . 6 1 1 A 64 64 SER HA H 64 4.525 4.634 -0.109 1
1 674 . 6 1 1 A 64 64 SER CA C 64 59.046 57.571 1.475 1
1 675 . 6 1 1 A 64 64 SER CB C 64 63.900 63.866 0.034 1
1 676 . 6 1 1 A 64 64 SER N N 64 122.307 121.252 1.055 1
1 677 . 6 1 1 A 65 65 VAL H H 65 8.475 7.618 0.857 1
1 678 . 6 1 1 A 65 65 VAL HA H 65 4.013 4.794 -0.781 1
1 686 . 6 1 1 A 65 65 VAL CA C 65 62.737 60.454 2.283 1
1 687 . 6 1 1 A 65 65 VAL CB C 65 33.308 35.681 -2.373 1
1 690 . 6 1 1 A 65 65 VAL N N 65 124.659 120.786 3.873 1
1 691 . 6 1 1 A 66 66 HIS H H 66 8.968 9.007 -0.039 1
1 692 . 6 1 1 A 66 66 HIS HA H 66 4.337 5.272 -0.935 1
1 698 . 6 1 1 A 66 66 HIS CA C 66 54.409 54.616 -0.207 1
1 699 . 6 1 1 A 66 66 HIS CB C 66 31.099 30.496 0.603 1
1 700 . 6 1 1 A 66 66 HIS N N 66 128.172 126.344 1.828 1
1 701 . 6 1 1 A 67 67 VAL H H 67 8.148 8.916 -0.768 1
1 702 . 6 1 1 A 67 67 VAL HA H 67 3.329 3.690 -0.361 1
1 710 . 6 1 1 A 67 67 VAL CA C 67 64.129 65.508 -1.379 1
1 711 . 6 1 1 A 67 67 VAL CB C 67 32.554 32.239 0.315 1
1 714 . 6 1 1 A 67 67 VAL N N 67 130.509 127.496 3.013 1
1 715 . 6 1 1 A 68 68 GLY H H 68 6.365 7.373 -1.008 1
1 716 . 6 1 1 A 68 68 GLY HA2 H 68 3.003 4.064 -1.061 1
1 717 . 6 1 1 A 68 68 GLY HA3 H 68 4.513 4.170 0.343 1
1 718 . 6 1 1 A 68 68 GLY CA C 68 43.722 45.713 -1.991 1
1 719 . 6 1 1 A 68 68 GLY N N 68 102.729 105.787 -3.058 1
1 720 . 6 1 1 A 69 69 GLY H H 69 9.087 8.655 0.432 1
1 721 . 6 1 1 A 69 69 GLY HA2 H 69 3.752 4.156 -0.404 1
1 722 . 6 1 1 A 69 69 GLY HA3 H 69 4.633 4.399 0.234 1
1 723 . 6 1 1 A 69 69 GLY CA C 69 43.851 44.710 -0.859 1
1 724 . 6 1 1 A 69 69 GLY N N 69 110.274 112.604 -2.330 1
1 725 . 6 1 1 A 70 70 CYS H H 70 8.467 8.854 -0.387 1
1 726 . 6 1 1 A 70 70 CYS HA H 70 3.806 4.082 -0.276 1
1 729 . 6 1 1 A 70 70 CYS CA C 70 63.366 62.471 0.895 1
1 730 . 6 1 1 A 70 70 CYS CB C 70 27.642 26.470 1.172 1
1 731 . 6 1 1 A 70 70 CYS N N 70 118.787 118.870 -0.083 1
1 732 . 6 1 1 A 71 71 ASP HA H 71 4.398 4.247 0.151 1
1 735 . 6 1 1 A 71 71 ASP CA C 71 57.405 57.673 -0.268 1
1 736 . 6 1 1 A 71 71 ASP CB C 71 39.058 41.799 -2.741 1
1 737 . 6 1 1 A 72 72 ASP H H 72 7.266 8.160 -0.894 1
1 738 . 6 1 1 A 72 72 ASP HA H 72 4.285 4.395 -0.110 1
1 741 . 6 1 1 A 72 72 ASP CA C 72 57.322 57.412 -0.090 1
1 742 . 6 1 1 A 72 72 ASP CB C 72 41.553 40.823 0.730 1
1 743 . 6 1 1 A 72 72 ASP N N 72 119.650 119.611 0.039 1
1 744 . 6 1 1 A 73 73 LEU H H 73 7.755 8.553 -0.798 1
1 745 . 6 1 1 A 73 73 LEU HA H 73 3.736 4.079 -0.343 1
1 755 . 6 1 1 A 73 73 LEU CA C 73 58.272 58.130 0.142 1
1 756 . 6 1 1 A 73 73 LEU CB C 73 41.995 41.801 0.194 1
1 760 . 6 1 1 A 73 73 LEU N N 73 121.526 120.959 0.567 1
1 761 . 6 1 1 A 74 74 TYR H H 74 8.244 8.655 -0.411 1
1 762 . 6 1 1 A 74 74 TYR HA H 74 3.697 4.160 -0.463 1
1 769 . 6 1 1 A 74 74 TYR CA C 74 62.802 61.372 1.430 1
1 770 . 6 1 1 A 74 74 TYR CB C 74 37.819 37.495 0.324 1
1 771 . 6 1 1 A 74 74 TYR N N 74 116.552 117.966 -1.414 1
1 772 . 6 1 1 A 75 75 ALA H H 75 8.169 8.223 -0.054 1
1 773 . 6 1 1 A 75 75 ALA HA H 75 4.286 4.165 0.121 1
1 777 . 6 1 1 A 75 75 ALA CA C 75 55.465 54.939 0.526 1
1 778 . 6 1 1 A 75 75 ALA CB C 75 17.722 18.474 -0.752 1
1 779 . 6 1 1 A 75 75 ALA N N 75 122.825 122.742 0.083 1
1 780 . 6 1 1 A 76 76 LEU H H 76 7.353 8.310 -0.957 1
1 781 . 6 1 1 A 76 76 LEU HA H 76 4.003 4.058 -0.055 1
1 791 . 6 1 1 A 76 76 LEU CA C 76 57.687 57.861 -0.174 1
1 792 . 6 1 1 A 76 76 LEU CB C 76 42.753 41.558 1.195 1
1 796 . 6 1 1 A 76 76 LEU N N 76 116.756 120.570 -3.814 1
1 797 . 6 1 1 A 77 77 GLU H H 77 7.420 8.331 -0.911 1
1 798 . 6 1 1 A 77 77 GLU HA H 77 4.575 4.047 0.528 1
1 803 . 6 1 1 A 77 77 GLU CA C 77 57.962 58.941 -0.979 1
1 804 . 6 1 1 A 77 77 GLU CB C 77 28.292 28.708 -0.416 1
1 806 . 6 1 1 A 77 77 GLU N N 77 121.356 117.721 3.635 1
1 807 . 6 1 1 A 78 78 ASP H H 78 8.637 7.728 0.909 1
1 808 . 6 1 1 A 78 78 ASP HA H 78 4.399 4.415 -0.016 1
1 811 . 6 1 1 A 78 78 ASP CA C 78 57.569 56.773 0.796 1
1 812 . 6 1 1 A 78 78 ASP CB C 78 40.715 41.056 -0.341 1
1 813 . 6 1 1 A 78 78 ASP N N 78 123.396 120.515 2.881 1
1 814 . 6 1 1 A 79 79 GLU H H 79 7.773 8.092 -0.319 1
1 815 . 6 1 1 A 79 79 GLU HA H 79 4.283 4.402 -0.119 1
1 820 . 6 1 1 A 79 79 GLU CA C 79 56.357 56.110 0.247 1
1 821 . 6 1 1 A 79 79 GLU CB C 79 30.855 30.979 -0.124 1
1 823 . 6 1 1 A 79 79 GLU N N 79 115.336 116.278 -0.942 1
1 824 . 6 1 1 A 80 80 GLY H H 80 8.050 8.037 0.013 1
1 825 . 6 1 1 A 80 80 GLY HA2 H 80 4.031 3.968 0.063 1
1 826 . 6 1 1 A 80 80 GLY HA3 H 80 4.031 3.969 0.062 1
1 827 . 6 1 1 A 80 80 GLY CA C 80 46.314 46.160 0.154 1
1 828 . 6 1 1 A 80 80 GLY N N 80 108.957 108.482 0.475 1
1 829 . 6 1 1 A 81 81 LYS H H 81 8.188 7.607 0.581 1
1 830 . 6 1 1 A 81 81 LYS HA H 81 4.415 4.346 0.069 1
1 839 . 6 1 1 A 81 81 LYS CA C 81 56.716 56.753 -0.037 1
1 840 . 6 1 1 A 81 81 LYS CB C 81 35.935 33.002 2.933 1
1 844 . 6 1 1 A 81 81 LYS N N 81 116.879 118.399 -1.520 1
1 845 . 6 1 1 A 82 82 LEU H H 82 7.499 8.082 -0.583 1
1 846 . 6 1 1 A 82 82 LEU HA H 82 3.977 3.991 -0.014 1
1 856 . 6 1 1 A 82 82 LEU CA C 82 57.480 57.843 -0.363 1
1 857 . 6 1 1 A 82 82 LEU CB C 82 40.489 41.544 -1.055 1
1 861 . 6 1 1 A 82 82 LEU N N 82 122.734 122.521 0.213 1
1 862 . 6 1 1 A 83 83 ASP H H 83 8.625 8.383 0.242 1
1 863 . 6 1 1 A 83 83 ASP HA H 83 4.248 4.330 -0.082 1
1 866 . 6 1 1 A 83 83 ASP CA C 83 58.680 57.604 1.076 1
1 867 . 6 1 1 A 83 83 ASP CB C 83 40.149 40.574 -0.425 1
1 868 . 6 1 1 A 83 83 ASP N N 83 119.728 118.769 0.959 1
1 869 . 6 1 1 A 84 84 SER H H 84 8.426 7.893 0.533 1
1 870 . 6 1 1 A 84 84 SER HA H 84 4.219 4.292 -0.073 1
1 873 . 6 1 1 A 84 84 SER CA C 84 61.473 61.725 -0.252 1
1 874 . 6 1 1 A 84 84 SER CB C 84 62.589 63.243 -0.654 1
1 875 . 6 1 1 A 84 84 SER N N 84 113.454 115.919 -2.465 1
1 876 . 6 1 1 A 85 85 LEU H H 85 7.551 8.083 -0.532 1
1 877 . 6 1 1 A 85 85 LEU HA H 85 4.319 4.072 0.247 1
1 887 . 6 1 1 A 85 85 LEU CA C 85 58.355 57.905 0.450 1
1 888 . 6 1 1 A 85 85 LEU CB C 85 41.588 41.767 -0.179 1
1 892 . 6 1 1 A 85 85 LEU N N 85 126.500 122.071 4.429 1
1 893 . 6 1 1 A 86 86 LEU H H 86 8.382 7.849 0.533 1
1 894 . 6 1 1 A 86 86 LEU HA H 86 3.827 4.086 -0.259 1
1 904 . 6 1 1 A 86 86 LEU CA C 86 57.826 57.627 0.199 1
1 905 . 6 1 1 A 86 86 LEU CB C 86 41.840 41.403 0.437 1
1 909 . 6 1 1 A 86 86 LEU N N 86 117.962 117.125 0.837 1
1 910 . 6 1 1 A 87 87 LYS H H 87 7.522 7.826 -0.304 1
1 911 . 6 1 1 A 87 87 LYS HA H 87 4.331 4.023 0.308 1
1 920 . 6 1 1 A 87 87 LYS CA C 87 58.325 59.506 -1.181 1
1 921 . 6 1 1 A 87 87 LYS CB C 87 34.043 32.636 1.407 1
1 925 . 6 1 1 A 87 87 LYS N N 87 114.198 118.712 -4.514 1
1 926 . 6 1 1 A 88 88 THR H H 88 8.165 8.140 0.025 1
1 927 . 6 1 1 A 88 88 THR HA H 88 4.507 4.429 0.078 1
1 932 . 6 1 1 A 88 88 THR CA C 88 62.385 62.581 -0.196 1
1 933 . 6 1 1 A 88 88 THR CB C 88 72.525 70.517 2.008 1
1 935 . 6 1 1 A 88 88 THR N N 88 106.021 108.099 -2.078 1
1 936 . 6 1 1 A 89 89 GLY H H 89 9.139 9.033 0.106 1
1 937 . 6 1 1 A 89 89 GLY HA2 H 89 3.612 3.894 -0.282 1
1 938 . 6 1 1 A 89 89 GLY HA3 H 89 4.204 3.899 0.305 1
1 939 . 6 1 1 A 89 89 GLY CA C 89 46.770 45.678 1.092 1
1 940 . 6 1 1 A 89 89 GLY N N 89 112.926 111.983 0.943 1
1 941 . 6 1 1 A 90 90 LYS H H 90 7.933 7.167 0.766 1
1 942 . 6 1 1 A 90 90 LYS HA H 90 4.459 4.685 -0.226 1
1 951 . 6 1 1 A 90 90 LYS CA C 90 54.576 54.990 -0.414 1
1 952 . 6 1 1 A 90 90 LYS CB C 90 35.788 34.560 1.228 1
1 956 . 6 1 1 A 90 90 LYS N N 90 117.810 115.269 2.541 1
1 957 . 6 1 1 A 91 91 LEU H H 91 8.487 8.411 0.076 1
1 958 . 6 1 1 A 91 91 LEU HA H 91 4.423 5.020 -0.597 1
1 968 . 6 1 1 A 91 91 LEU CA C 91 54.491 53.087 1.404 1
1 969 . 6 1 1 A 91 91 LEU CB C 91 43.083 44.140 -1.057 1
1 973 . 6 1 1 A 91 91 LEU N N 91 123.364 119.101 4.263 1
1 1 . 7 1 1 A 2 2 PRO HA H 2 4.444 4.610 -0.166 1
1 8 . 7 1 1 A 2 2 PRO CA C 2 63.468 62.821 0.647 1
1 9 . 7 1 1 A 2 2 PRO CB C 2 32.153 33.037 -0.884 1
1 12 . 7 1 1 A 3 3 GLY H H 3 8.672 8.388 0.284 1
1 13 . 7 1 1 A 3 3 GLY HA2 H 3 4.759 4.151 0.608 1
1 14 . 7 1 1 A 3 3 GLY HA3 H 3 4.759 4.152 0.607 1
1 15 . 7 1 1 A 3 3 GLY CA C 3 45.323 45.647 -0.324 1
1 16 . 7 1 1 A 3 3 GLY N N 3 110.465 108.454 2.011 1
1 17 . 7 1 1 A 4 4 SER H H 4 8.201 8.687 -0.486 1
1 18 . 7 1 1 A 4 4 SER HA H 4 4.454 4.697 -0.243 1
1 21 . 7 1 1 A 4 4 SER CA C 4 58.370 58.265 0.105 1
1 22 . 7 1 1 A 4 4 SER CB C 4 64.049 64.354 -0.305 1
1 23 . 7 1 1 A 4 4 SER N N 4 115.747 118.655 -2.908 1
1 24 . 7 1 1 A 5 5 MET H H 5 8.315 8.951 -0.636 1
1 25 . 7 1 1 A 5 5 MET HA H 5 4.675 4.875 -0.200 1
1 30 . 7 1 1 A 5 5 MET CA C 5 55.466 54.458 1.008 1
1 31 . 7 1 1 A 5 5 MET CB C 5 34.462 36.277 -1.815 1
1 33 . 7 1 1 A 5 5 MET N N 5 121.679 125.557 -3.878 1
1 34 . 7 1 1 A 6 6 VAL H H 6 8.169 8.729 -0.560 1
1 35 . 7 1 1 A 6 6 VAL HA H 6 4.141 4.819 -0.678 1
1 43 . 7 1 1 A 6 6 VAL CA C 6 61.395 58.968 2.427 1
1 44 . 7 1 1 A 6 6 VAL CB C 6 32.669 34.878 -2.209 1
1 47 . 7 1 1 A 6 6 VAL N N 6 118.330 118.764 -0.434 1
1 48 . 7 1 1 A 7 7 ASP H H 7 8.335 8.704 -0.369 1
1 49 . 7 1 1 A 7 7 ASP HA H 7 4.526 4.684 -0.158 1
1 52 . 7 1 1 A 7 7 ASP CA C 7 55.023 54.765 0.258 1
1 53 . 7 1 1 A 7 7 ASP CB C 7 41.455 40.824 0.631 1
1 54 . 7 1 1 A 7 7 ASP N N 7 122.032 122.253 -0.221 1
1 55 . 7 1 1 A 8 8 VAL H H 8 8.662 9.051 -0.389 1
1 56 . 7 1 1 A 8 8 VAL HA H 8 4.947 4.880 0.067 1
1 64 . 7 1 1 A 8 8 VAL CA C 8 61.415 61.485 -0.070 1
1 65 . 7 1 1 A 8 8 VAL CB C 8 33.703 33.759 -0.056 1
1 68 . 7 1 1 A 8 8 VAL N N 8 124.216 125.442 -1.226 1
1 69 . 7 1 1 A 9 9 ILE H H 9 9.311 9.297 0.014 1
1 70 . 7 1 1 A 9 9 ILE HA H 9 4.963 5.093 -0.130 1
1 80 . 7 1 1 A 9 9 ILE CA C 9 59.648 59.617 0.031 1
1 81 . 7 1 1 A 9 9 ILE CB C 9 41.374 41.923 -0.549 1
1 85 . 7 1 1 A 9 9 ILE N N 9 129.869 126.692 3.177 1
1 86 . 7 1 1 A 10 10 ILE H H 10 8.720 9.334 -0.614 1
1 87 . 7 1 1 A 10 10 ILE HA H 10 5.442 5.418 0.024 1
1 97 . 7 1 1 A 10 10 ILE CA C 10 58.153 58.661 -0.508 1
1 98 . 7 1 1 A 10 10 ILE CB C 10 41.947 41.828 0.119 1
1 102 . 7 1 1 A 10 10 ILE N N 10 123.598 127.489 -3.891 1
1 103 . 7 1 1 A 11 11 TYR H H 11 9.340 8.815 0.525 1
1 104 . 7 1 1 A 11 11 TYR HA H 11 5.667 5.579 0.088 1
1 111 . 7 1 1 A 11 11 TYR CA C 11 57.300 56.341 0.959 1
1 112 . 7 1 1 A 11 11 TYR CB C 11 40.550 40.359 0.191 1
1 113 . 7 1 1 A 11 11 TYR N N 11 128.888 127.718 1.170 1
1 114 . 7 1 1 A 12 12 THR H H 12 9.374 8.733 0.641 1
1 115 . 7 1 1 A 12 12 THR HA H 12 5.277 5.110 0.167 1
1 120 . 7 1 1 A 12 12 THR CA C 12 59.567 59.729 -0.162 1
1 121 . 7 1 1 A 12 12 THR CB C 12 72.183 72.573 -0.390 1
1 123 . 7 1 1 A 12 12 THR N N 12 112.083 113.900 -1.817 1
1 124 . 7 1 1 A 13 13 ARG H H 13 7.379 8.808 -1.429 1
1 125 . 7 1 1 A 13 13 ARG HA H 13 4.779 4.871 -0.092 1
1 132 . 7 1 1 A 13 13 ARG CA C 13 52.961 53.705 -0.744 1
1 133 . 7 1 1 A 13 13 ARG CB C 13 31.374 33.528 -2.154 1
1 136 . 7 1 1 A 13 13 ARG N N 13 113.131 119.258 -6.127 1
1 137 . 7 1 1 A 14 14 PRO HA H 14 4.276 4.275 0.001 1
1 144 . 7 1 1 A 14 14 PRO CA C 14 63.498 63.757 -0.259 1
1 145 . 7 1 1 A 14 14 PRO CB C 14 32.015 31.299 0.716 1
1 148 . 7 1 1 A 15 15 GLY H H 15 8.672 8.831 -0.159 1
1 149 . 7 1 1 A 15 15 GLY HA2 H 15 3.946 3.907 0.039 1
1 150 . 7 1 1 A 15 15 GLY HA3 H 15 3.946 3.914 0.032 1
1 151 . 7 1 1 A 15 15 GLY N N 15 110.274 112.230 -1.956 1
1 152 . 7 1 1 A 16 16 CYS H H 16 6.985 7.281 -0.296 1
1 153 . 7 1 1 A 16 16 CYS HA H 16 4.769 4.645 0.124 1
1 156 . 7 1 1 A 16 16 CYS CA C 16 56.315 55.699 0.616 1
1 157 . 7 1 1 A 16 16 CYS CB C 16 31.724 29.136 2.588 1
1 158 . 7 1 1 A 16 16 CYS N N 16 124.357 119.453 4.904 1
1 159 . 7 1 1 A 17 17 PRO HA H 17 4.417 4.265 0.152 1
1 166 . 7 1 1 A 17 17 PRO CA C 17 64.516 65.385 -0.869 1
1 167 . 7 1 1 A 17 17 PRO CB C 17 32.205 31.605 0.600 1
1 170 . 7 1 1 A 18 18 TYR H H 18 9.273 7.374 1.899 1
1 171 . 7 1 1 A 18 18 TYR HA H 18 4.375 4.178 0.197 1
1 178 . 7 1 1 A 18 18 TYR CA C 18 61.227 61.489 -0.262 1
1 179 . 7 1 1 A 18 18 TYR CB C 18 38.025 37.683 0.342 1
1 180 . 7 1 1 A 18 18 TYR N N 18 127.619 117.598 10.021 1
1 181 . 7 1 1 A 19 19 CYS H H 19 9.854 8.146 1.708 1
1 182 . 7 1 1 A 19 19 CYS HA H 19 3.870 4.088 -0.218 1
1 185 . 7 1 1 A 19 19 CYS CA C 19 64.810 63.252 1.558 1
1 186 . 7 1 1 A 19 19 CYS CB C 19 29.498 27.439 2.059 1
1 187 . 7 1 1 A 19 19 CYS N N 19 128.016 119.127 8.889 1
1 188 . 7 1 1 A 20 20 ALA H H 20 7.948 7.960 -0.012 1
1 189 . 7 1 1 A 20 20 ALA HA H 20 3.995 3.981 0.014 1
1 193 . 7 1 1 A 20 20 ALA CA C 20 55.804 55.363 0.441 1
1 194 . 7 1 1 A 20 20 ALA CB C 20 18.201 18.571 -0.370 1
1 195 . 7 1 1 A 20 20 ALA N N 20 121.373 122.475 -1.102 1
1 196 . 7 1 1 A 21 21 ARG H H 21 8.064 7.921 0.143 1
1 197 . 7 1 1 A 21 21 ARG HA H 21 4.159 4.089 0.070 1
1 204 . 7 1 1 A 21 21 ARG CA C 21 59.500 59.575 -0.075 1
1 205 . 7 1 1 A 21 21 ARG CB C 21 30.535 30.339 0.196 1
1 208 . 7 1 1 A 21 21 ARG N N 21 119.886 117.760 2.126 1
1 209 . 7 1 1 A 22 22 ALA H H 22 8.342 7.676 0.666 1
1 210 . 7 1 1 A 22 22 ALA HA H 22 4.174 4.241 -0.067 1
1 214 . 7 1 1 A 22 22 ALA CA C 22 55.658 55.324 0.334 1
1 215 . 7 1 1 A 22 22 ALA CB C 22 19.485 18.098 1.387 1
1 216 . 7 1 1 A 22 22 ALA N N 22 125.852 121.703 4.149 1
1 217 . 7 1 1 A 23 23 LYS H H 23 7.968 8.066 -0.098 1
1 218 . 7 1 1 A 23 23 LYS HA H 23 3.243 3.769 -0.526 1
1 227 . 7 1 1 A 23 23 LYS CA C 23 60.699 59.071 1.628 1
1 228 . 7 1 1 A 23 23 LYS CB C 23 31.640 32.369 -0.729 1
1 232 . 7 1 1 A 23 23 LYS N N 23 116.539 117.035 -0.496 1
1 233 . 7 1 1 A 24 24 ALA H H 24 8.027 8.461 -0.434 1
1 234 . 7 1 1 A 24 24 ALA HA H 24 4.152 4.156 -0.004 1
1 238 . 7 1 1 A 24 24 ALA CA C 24 55.067 55.244 -0.177 1
1 239 . 7 1 1 A 24 24 ALA CB C 24 18.039 18.184 -0.145 1
1 240 . 7 1 1 A 24 24 ALA N N 24 120.099 122.551 -2.452 1
1 241 . 7 1 1 A 25 25 LEU H H 25 7.184 8.143 -0.959 1
1 242 . 7 1 1 A 25 25 LEU HA H 25 4.089 4.124 -0.035 1
1 252 . 7 1 1 A 25 25 LEU CA C 25 57.761 57.991 -0.230 1
1 253 . 7 1 1 A 25 25 LEU CB C 25 40.444 41.543 -1.099 1
1 257 . 7 1 1 A 25 25 LEU N N 25 119.676 119.419 0.257 1
1 258 . 7 1 1 A 26 26 LEU H H 26 7.477 8.279 -0.802 1
1 259 . 7 1 1 A 26 26 LEU HA H 26 3.701 3.980 -0.279 1
1 269 . 7 1 1 A 26 26 LEU CA C 26 58.523 58.110 0.413 1
1 270 . 7 1 1 A 26 26 LEU CB C 26 41.105 41.325 -0.220 1
1 274 . 7 1 1 A 26 26 LEU N N 26 117.225 118.558 -1.333 1
1 275 . 7 1 1 A 27 27 ALA H H 27 8.657 8.313 0.344 1
1 276 . 7 1 1 A 27 27 ALA HA H 27 4.368 4.193 0.175 1
1 280 . 7 1 1 A 27 27 ALA CA C 27 55.066 55.038 0.028 1
1 281 . 7 1 1 A 27 27 ALA CB C 27 18.137 18.272 -0.135 1
1 282 . 7 1 1 A 27 27 ALA N N 27 119.692 121.960 -2.268 1
1 283 . 7 1 1 A 28 28 ARG H H 28 8.048 8.362 -0.314 1
1 284 . 7 1 1 A 28 28 ARG HA H 28 4.110 4.115 -0.005 1
1 291 . 7 1 1 A 28 28 ARG CA C 28 59.249 58.693 0.556 1
1 292 . 7 1 1 A 28 28 ARG CB C 28 29.962 29.722 0.240 1
1 295 . 7 1 1 A 28 28 ARG N N 28 121.433 119.687 1.746 1
1 296 . 7 1 1 A 29 29 LYS H H 29 7.660 7.794 -0.134 1
1 297 . 7 1 1 A 29 29 LYS HA H 29 4.192 4.375 -0.183 1
1 306 . 7 1 1 A 29 29 LYS CA C 29 54.864 55.262 -0.398 1
1 307 . 7 1 1 A 29 29 LYS CB C 29 31.476 32.148 -0.672 1
1 311 . 7 1 1 A 29 29 LYS N N 29 115.942 114.192 1.750 1
1 312 . 7 1 1 A 30 30 GLY H H 30 7.919 8.112 -0.193 1
1 313 . 7 1 1 A 30 30 GLY HA2 H 30 3.734 3.982 -0.248 1
1 314 . 7 1 1 A 30 30 GLY HA3 H 30 4.013 3.982 0.031 1
1 315 . 7 1 1 A 30 30 GLY CA C 30 45.497 46.078 -0.581 1
1 316 . 7 1 1 A 30 30 GLY N N 30 107.837 109.338 -1.501 1
1 317 . 7 1 1 A 31 31 ALA H H 31 7.830 8.094 -0.264 1
1 318 . 7 1 1 A 31 31 ALA HA H 31 4.446 4.370 0.076 1
1 322 . 7 1 1 A 31 31 ALA CA C 31 51.562 51.919 -0.357 1
1 323 . 7 1 1 A 31 31 ALA CB C 31 19.964 19.610 0.354 1
1 324 . 7 1 1 A 31 31 ALA N N 31 122.333 123.748 -1.415 1
1 325 . 7 1 1 A 32 32 GLU H H 32 8.322 8.861 -0.539 1
1 326 . 7 1 1 A 32 32 GLU HA H 32 4.173 4.520 -0.347 1
1 331 . 7 1 1 A 32 32 GLU CA C 32 55.621 56.458 -0.837 1
1 332 . 7 1 1 A 32 32 GLU CB C 32 29.734 30.126 -0.392 1
1 334 . 7 1 1 A 32 32 GLU N N 32 124.383 123.493 0.890 1
1 335 . 7 1 1 A 33 33 PHE H H 33 7.623 8.574 -0.951 1
1 336 . 7 1 1 A 33 33 PHE HA H 33 5.151 5.258 -0.107 1
1 344 . 7 1 1 A 33 33 PHE CA C 33 55.106 55.826 -0.720 1
1 345 . 7 1 1 A 33 33 PHE CB C 33 41.937 42.051 -0.114 1
1 346 . 7 1 1 A 33 33 PHE N N 33 116.953 119.338 -2.385 1
1 347 . 7 1 1 A 34 34 ASN H H 34 8.938 8.914 0.024 1
1 348 . 7 1 1 A 34 34 ASN HA H 34 4.897 4.941 -0.044 1
1 353 . 7 1 1 A 34 34 ASN CA C 34 52.081 53.109 -1.028 1
1 354 . 7 1 1 A 34 34 ASN CB C 34 39.784 39.267 0.517 1
1 355 . 7 1 1 A 34 34 ASN N N 34 120.410 120.552 -0.142 1
1 357 . 7 1 1 A 35 35 GLU H H 35 8.764 8.915 -0.151 1
1 358 . 7 1 1 A 35 35 GLU HA H 35 5.135 4.948 0.187 1
1 363 . 7 1 1 A 35 35 GLU CA C 35 54.519 55.965 -1.446 1
1 364 . 7 1 1 A 35 35 GLU CB C 35 31.306 30.657 0.649 1
1 366 . 7 1 1 A 35 35 GLU N N 35 126.769 127.441 -0.672 1
1 367 . 7 1 1 A 36 36 ILE H H 36 8.975 8.649 0.326 1
1 368 . 7 1 1 A 36 36 ILE HA H 36 4.108 4.668 -0.560 1
1 378 . 7 1 1 A 36 36 ILE CA C 36 60.156 59.067 1.089 1
1 379 . 7 1 1 A 36 36 ILE CB C 36 40.382 41.503 -1.121 1
1 383 . 7 1 1 A 36 36 ILE N N 36 130.393 127.390 3.003 1
1 384 . 7 1 1 A 37 37 ASP H H 37 8.494 8.715 -0.221 1
1 385 . 7 1 1 A 37 37 ASP HA H 37 4.965 5.030 -0.065 1
1 388 . 7 1 1 A 37 37 ASP CA C 37 52.537 53.294 -0.757 1
1 389 . 7 1 1 A 37 37 ASP CB C 37 39.350 42.541 -3.191 1
1 390 . 7 1 1 A 37 37 ASP N N 37 125.910 125.479 0.431 1
1 391 . 7 1 1 A 38 38 ALA H H 38 8.764 7.882 0.882 1
1 392 . 7 1 1 A 38 38 ALA HA H 38 4.621 4.433 0.188 1
1 396 . 7 1 1 A 38 38 ALA CA C 38 51.729 53.142 -1.413 1
1 397 . 7 1 1 A 38 38 ALA CB C 38 20.588 21.265 -0.677 1
1 398 . 7 1 1 A 38 38 ALA N N 38 130.164 123.508 6.656 1
1 399 . 7 1 1 A 39 39 SER H H 39 8.668 8.091 0.577 1
1 400 . 7 1 1 A 39 39 SER HA H 39 4.469 4.156 0.313 1
1 403 . 7 1 1 A 39 39 SER CA C 39 59.342 60.864 -1.522 1
1 404 . 7 1 1 A 39 39 SER CB C 39 64.938 63.124 1.814 1
1 405 . 7 1 1 A 39 39 SER N N 39 111.397 114.100 -2.703 1
1 406 . 7 1 1 A 40 40 ALA H H 40 7.466 7.704 -0.238 1
1 407 . 7 1 1 A 40 40 ALA HA H 40 4.136 4.088 0.048 1
1 411 . 7 1 1 A 40 40 ALA CA C 40 55.000 54.922 0.078 1
1 412 . 7 1 1 A 40 40 ALA CB C 40 20.463 18.832 1.631 1
1 413 . 7 1 1 A 40 40 ALA N N 40 124.335 121.881 2.454 1
1 414 . 7 1 1 A 41 41 THR H H 41 7.098 7.285 -0.187 1
1 415 . 7 1 1 A 41 41 THR HA H 41 4.978 4.906 0.072 1
1 420 . 7 1 1 A 41 41 THR CA C 41 57.841 58.825 -0.984 1
1 421 . 7 1 1 A 41 41 THR CB C 41 70.742 71.227 -0.485 1
1 423 . 7 1 1 A 41 41 THR N N 41 105.166 107.411 -2.245 1
1 424 . 7 1 1 A 42 42 PRO HA H 42 4.299 4.347 -0.048 1
1 431 . 7 1 1 A 42 42 PRO CA C 42 64.586 65.350 -0.764 1
1 432 . 7 1 1 A 42 42 PRO CB C 42 31.963 31.951 0.012 1
1 435 . 7 1 1 A 43 43 GLU H H 43 8.997 8.436 0.561 1
1 436 . 7 1 1 A 43 43 GLU HA H 43 4.052 4.109 -0.057 1
1 441 . 7 1 1 A 43 43 GLU CA C 43 60.694 59.535 1.159 1
1 442 . 7 1 1 A 43 43 GLU CB C 43 28.709 29.273 -0.564 1
1 444 . 7 1 1 A 43 43 GLU N N 43 118.804 118.056 0.748 1
1 445 . 7 1 1 A 44 44 LEU H H 44 7.882 8.396 -0.514 1
1 446 . 7 1 1 A 44 44 LEU HA H 44 4.285 4.025 0.260 1
1 456 . 7 1 1 A 44 44 LEU CA C 44 57.573 58.187 -0.614 1
1 457 . 7 1 1 A 44 44 LEU CB C 44 42.548 41.867 0.681 1
1 461 . 7 1 1 A 44 44 LEU N N 44 122.381 120.623 1.758 1
1 462 . 7 1 1 A 45 45 ARG H H 45 7.709 7.572 0.137 1
1 463 . 7 1 1 A 45 45 ARG HA H 45 4.026 4.143 -0.117 1
1 470 . 7 1 1 A 45 45 ARG CA C 45 60.055 58.957 1.098 1
1 471 . 7 1 1 A 45 45 ARG CB C 45 29.943 29.746 0.197 1
1 474 . 7 1 1 A 45 45 ARG N N 45 122.487 120.800 1.687 1
1 475 . 7 1 1 A 46 46 ALA H H 46 8.144 8.018 0.126 1
1 476 . 7 1 1 A 46 46 ALA HA H 46 4.074 4.156 -0.082 1
1 480 . 7 1 1 A 46 46 ALA CA C 46 54.865 55.130 -0.265 1
1 481 . 7 1 1 A 46 46 ALA CB C 46 17.777 18.353 -0.576 1
1 482 . 7 1 1 A 46 46 ALA N N 46 121.132 122.512 -1.380 1
1 483 . 7 1 1 A 47 47 GLU H H 47 7.902 8.695 -0.793 1
1 484 . 7 1 1 A 47 47 GLU HA H 47 3.995 4.115 -0.120 1
1 489 . 7 1 1 A 47 47 GLU CA C 47 59.524 59.389 0.135 1
1 490 . 7 1 1 A 47 47 GLU CB C 47 29.915 29.054 0.861 1
1 492 . 7 1 1 A 47 47 GLU N N 47 121.104 116.609 4.495 1
1 493 . 7 1 1 A 48 48 MET H H 48 7.984 7.923 0.061 1
1 494 . 7 1 1 A 48 48 MET HA H 48 2.786 4.196 -1.410 1
1 499 . 7 1 1 A 48 48 MET CA C 48 59.662 58.462 1.200 1
1 500 . 7 1 1 A 48 48 MET CB C 48 33.701 33.510 0.191 1
1 502 . 7 1 1 A 48 48 MET N N 48 118.769 119.258 -0.489 1
1 503 . 7 1 1 A 49 49 GLN H H 49 8.209 8.468 -0.259 1
1 504 . 7 1 1 A 49 49 GLN HA H 49 4.299 4.168 0.131 1
1 511 . 7 1 1 A 49 49 GLN CA C 49 58.669 58.349 0.320 1
1 512 . 7 1 1 A 49 49 GLN CB C 49 28.742 27.842 0.900 1
1 514 . 7 1 1 A 49 49 GLN N N 49 122.155 117.519 4.636 1
1 516 . 7 1 1 A 50 50 GLU H H 50 8.671 7.684 0.987 1
1 517 . 7 1 1 A 50 50 GLU HA H 50 3.904 4.158 -0.254 1
1 522 . 7 1 1 A 50 50 GLU CA C 50 59.156 58.940 0.216 1
1 523 . 7 1 1 A 50 50 GLU CB C 50 29.504 29.331 0.173 1
1 525 . 7 1 1 A 50 50 GLU N N 50 122.081 120.367 1.714 1
1 526 . 7 1 1 A 51 51 ARG H H 51 8.244 8.093 0.151 1
1 527 . 7 1 1 A 51 51 ARG HA H 51 3.993 4.258 -0.265 1
1 534 . 7 1 1 A 51 51 ARG CA C 51 58.503 58.147 0.356 1
1 535 . 7 1 1 A 51 51 ARG CB C 51 31.363 30.906 0.457 1
1 538 . 7 1 1 A 51 51 ARG N N 51 115.848 119.793 -3.945 1
1 539 . 7 1 1 A 52 52 SER H H 52 7.994 7.853 0.141 1
1 540 . 7 1 1 A 52 52 SER HA H 52 3.674 4.230 -0.556 1
1 543 . 7 1 1 A 52 52 SER CA C 52 58.897 59.180 -0.283 1
1 544 . 7 1 1 A 52 52 SER CB C 52 66.908 64.086 2.822 1
1 545 . 7 1 1 A 52 52 SER N N 52 109.721 112.259 -2.538 1
1 546 . 7 1 1 A 53 53 GLY H H 53 8.205 8.944 -0.739 1
1 547 . 7 1 1 A 53 53 GLY HA2 H 53 3.815 3.817 -0.002 1
1 548 . 7 1 1 A 53 53 GLY HA3 H 53 4.063 3.846 0.217 1
1 549 . 7 1 1 A 53 53 GLY CA C 53 46.182 45.621 0.561 1
1 550 . 7 1 1 A 53 53 GLY N N 53 112.716 111.163 1.553 1
1 551 . 7 1 1 A 54 54 ARG H H 54 8.323 7.499 0.824 1
1 552 . 7 1 1 A 54 54 ARG HA H 54 4.595 4.840 -0.245 1
1 559 . 7 1 1 A 54 54 ARG CA C 54 54.426 53.892 0.534 1
1 560 . 7 1 1 A 54 54 ARG CB C 54 35.418 34.022 1.396 1
1 563 . 7 1 1 A 54 54 ARG N N 54 119.629 119.894 -0.265 1
1 564 . 7 1 1 A 55 55 ASN H H 55 8.184 8.900 -0.716 1
1 565 . 7 1 1 A 55 55 ASN HA H 55 4.692 4.529 0.163 1
1 570 . 7 1 1 A 55 55 ASN CA C 55 51.458 56.117 -4.659 1
1 571 . 7 1 1 A 55 55 ASN N N 55 112.763 119.193 -6.430 1
1 573 . 7 1 1 A 56 56 THR H H 56 6.730 7.683 -0.953 1
1 574 . 7 1 1 A 56 56 THR HA H 56 4.309 4.977 -0.668 1
1 579 . 7 1 1 A 56 56 THR CA C 56 59.120 61.452 -2.332 1
1 580 . 7 1 1 A 56 56 THR CB C 56 70.754 72.106 -1.352 1
1 582 . 7 1 1 A 56 56 THR N N 56 107.946 110.878 -2.932 1
1 583 . 7 1 1 A 57 57 PHE H H 57 8.568 9.076 -0.508 1
1 584 . 7 1 1 A 57 57 PHE HA H 57 4.641 5.135 -0.494 1
1 592 . 7 1 1 A 57 57 PHE CA C 57 54.923 55.350 -0.427 1
1 593 . 7 1 1 A 57 57 PHE CB C 57 41.272 40.658 0.614 1
1 594 . 7 1 1 A 57 57 PHE N N 57 117.566 121.871 -4.305 1
1 595 . 7 1 1 A 58 58 PRO HA H 58 5.604 4.697 0.907 1
1 602 . 7 1 1 A 58 58 PRO CA C 58 62.749 62.721 0.028 1
1 603 . 7 1 1 A 58 58 PRO CB C 58 36.563 31.988 4.575 1
1 606 . 7 1 1 A 59 59 GLN H H 59 7.926 8.404 -0.478 1
1 607 . 7 1 1 A 59 59 GLN HA H 59 4.813 4.689 0.124 1
1 614 . 7 1 1 A 59 59 GLN CA C 59 55.111 54.849 0.262 1
1 615 . 7 1 1 A 59 59 GLN CB C 59 31.737 29.873 1.864 1
1 617 . 7 1 1 A 59 59 GLN N N 59 112.301 120.799 -8.498 1
1 619 . 7 1 1 A 60 60 ILE H H 60 8.936 8.924 0.012 1
1 620 . 7 1 1 A 60 60 ILE HA H 60 4.933 4.359 0.574 1
1 630 . 7 1 1 A 60 60 ILE CA C 60 61.288 60.034 1.254 1
1 631 . 7 1 1 A 60 60 ILE CB C 60 40.912 38.926 1.986 1
1 635 . 7 1 1 A 60 60 ILE N N 60 123.133 123.804 -0.671 1
1 636 . 7 1 1 A 61 61 PHE H H 61 9.629 9.015 0.614 1
1 637 . 7 1 1 A 61 61 PHE HA H 61 5.354 5.216 0.138 1
1 645 . 7 1 1 A 61 61 PHE CA C 61 56.630 56.913 -0.283 1
1 646 . 7 1 1 A 61 61 PHE CB C 61 41.883 40.558 1.325 1
1 647 . 7 1 1 A 61 61 PHE N N 61 128.347 126.419 1.928 1
1 648 . 7 1 1 A 62 62 ILE H H 62 9.070 8.893 0.177 1
1 649 . 7 1 1 A 62 62 ILE HA H 62 4.587 4.591 -0.004 1
1 659 . 7 1 1 A 62 62 ILE CA C 62 60.903 60.163 0.740 1
1 660 . 7 1 1 A 62 62 ILE CB C 62 39.789 40.221 -0.432 1
1 664 . 7 1 1 A 62 62 ILE N N 62 122.709 123.803 -1.094 1
1 665 . 7 1 1 A 63 63 GLY H H 63 9.303 9.047 0.256 1
1 666 . 7 1 1 A 63 63 GLY HA2 H 63 3.889 3.903 -0.014 1
1 667 . 7 1 1 A 63 63 GLY HA3 H 63 4.081 3.905 0.176 1
1 668 . 7 1 1 A 63 63 GLY CA C 63 47.216 47.360 -0.144 1
1 669 . 7 1 1 A 63 63 GLY N N 63 116.351 117.727 -1.376 1
1 670 . 7 1 1 A 64 64 SER H H 64 9.242 8.149 1.093 1
1 671 . 7 1 1 A 64 64 SER HA H 64 4.525 4.580 -0.055 1
1 674 . 7 1 1 A 64 64 SER CA C 64 59.046 58.147 0.899 1
1 675 . 7 1 1 A 64 64 SER CB C 64 63.900 64.524 -0.624 1
1 676 . 7 1 1 A 64 64 SER N N 64 122.307 121.532 0.775 1
1 677 . 7 1 1 A 65 65 VAL H H 65 8.475 7.627 0.848 1
1 678 . 7 1 1 A 65 65 VAL HA H 65 4.013 4.785 -0.772 1
1 686 . 7 1 1 A 65 65 VAL CA C 65 62.737 60.468 2.269 1
1 687 . 7 1 1 A 65 65 VAL CB C 65 33.308 35.785 -2.477 1
1 690 . 7 1 1 A 65 65 VAL N N 65 124.659 121.647 3.012 1
1 691 . 7 1 1 A 66 66 HIS H H 66 8.968 8.973 -0.005 1
1 692 . 7 1 1 A 66 66 HIS HA H 66 4.337 5.142 -0.805 1
1 698 . 7 1 1 A 66 66 HIS CA C 66 54.409 54.538 -0.129 1
1 699 . 7 1 1 A 66 66 HIS CB C 66 31.099 30.590 0.509 1
1 700 . 7 1 1 A 66 66 HIS N N 66 128.172 126.394 1.778 1
1 701 . 7 1 1 A 67 67 VAL H H 67 8.148 8.894 -0.746 1
1 702 . 7 1 1 A 67 67 VAL HA H 67 3.329 3.707 -0.378 1
1 710 . 7 1 1 A 67 67 VAL CA C 67 64.129 65.445 -1.316 1
1 711 . 7 1 1 A 67 67 VAL CB C 67 32.554 32.243 0.311 1
1 714 . 7 1 1 A 67 67 VAL N N 67 130.509 127.470 3.039 1
1 715 . 7 1 1 A 68 68 GLY H H 68 6.365 7.006 -0.641 1
1 716 . 7 1 1 A 68 68 GLY HA2 H 68 3.003 4.028 -1.025 1
1 717 . 7 1 1 A 68 68 GLY HA3 H 68 4.513 4.148 0.365 1
1 718 . 7 1 1 A 68 68 GLY CA C 68 43.722 46.035 -2.313 1
1 719 . 7 1 1 A 68 68 GLY N N 68 102.729 105.835 -3.106 1
1 720 . 7 1 1 A 69 69 GLY H H 69 9.087 8.288 0.799 1
1 721 . 7 1 1 A 69 69 GLY HA2 H 69 3.752 4.154 -0.402 1
1 722 . 7 1 1 A 69 69 GLY HA3 H 69 4.633 4.383 0.250 1
1 723 . 7 1 1 A 69 69 GLY CA C 69 43.851 45.685 -1.834 1
1 724 . 7 1 1 A 69 69 GLY N N 69 110.274 110.598 -0.324 1
1 725 . 7 1 1 A 70 70 CYS H H 70 8.467 8.880 -0.413 1
1 726 . 7 1 1 A 70 70 CYS HA H 70 3.806 4.091 -0.285 1
1 729 . 7 1 1 A 70 70 CYS CA C 70 63.366 62.492 0.874 1
1 730 . 7 1 1 A 70 70 CYS CB C 70 27.642 26.633 1.009 1
1 731 . 7 1 1 A 70 70 CYS N N 70 118.787 120.410 -1.623 1
1 732 . 7 1 1 A 71 71 ASP HA H 71 4.398 4.247 0.151 1
1 735 . 7 1 1 A 71 71 ASP CA C 71 57.405 57.818 -0.413 1
1 736 . 7 1 1 A 71 71 ASP CB C 71 39.058 41.998 -2.940 1
1 737 . 7 1 1 A 72 72 ASP H H 72 7.266 8.063 -0.797 1
1 738 . 7 1 1 A 72 72 ASP HA H 72 4.285 4.432 -0.147 1
1 741 . 7 1 1 A 72 72 ASP CA C 72 57.322 57.368 -0.046 1
1 742 . 7 1 1 A 72 72 ASP CB C 72 41.553 40.771 0.782 1
1 743 . 7 1 1 A 72 72 ASP N N 72 119.650 119.447 0.203 1
1 744 . 7 1 1 A 73 73 LEU H H 73 7.755 8.563 -0.808 1
1 745 . 7 1 1 A 73 73 LEU HA H 73 3.736 4.081 -0.345 1
1 755 . 7 1 1 A 73 73 LEU CA C 73 58.272 58.066 0.206 1
1 756 . 7 1 1 A 73 73 LEU CB C 73 41.995 41.749 0.246 1
1 760 . 7 1 1 A 73 73 LEU N N 73 121.526 120.857 0.669 1
1 761 . 7 1 1 A 74 74 TYR H H 74 8.244 8.561 -0.317 1
1 762 . 7 1 1 A 74 74 TYR HA H 74 3.697 4.051 -0.354 1
1 769 . 7 1 1 A 74 74 TYR CA C 74 62.802 61.710 1.092 1
1 770 . 7 1 1 A 74 74 TYR CB C 74 37.819 37.556 0.263 1
1 771 . 7 1 1 A 74 74 TYR N N 74 116.552 117.930 -1.378 1
1 772 . 7 1 1 A 75 75 ALA H H 75 8.169 8.234 -0.065 1
1 773 . 7 1 1 A 75 75 ALA HA H 75 4.286 4.162 0.124 1
1 777 . 7 1 1 A 75 75 ALA CA C 75 55.465 54.974 0.491 1
1 778 . 7 1 1 A 75 75 ALA CB C 75 17.722 18.551 -0.829 1
1 779 . 7 1 1 A 75 75 ALA N N 75 122.825 122.918 -0.093 1
1 780 . 7 1 1 A 76 76 LEU H H 76 7.353 8.461 -1.108 1
1 781 . 7 1 1 A 76 76 LEU HA H 76 4.003 4.062 -0.059 1
1 791 . 7 1 1 A 76 76 LEU CA C 76 57.687 57.833 -0.146 1
1 792 . 7 1 1 A 76 76 LEU CB C 76 42.753 41.611 1.142 1
1 796 . 7 1 1 A 76 76 LEU N N 76 116.756 120.598 -3.842 1
1 797 . 7 1 1 A 77 77 GLU H H 77 7.420 8.359 -0.939 1
1 798 . 7 1 1 A 77 77 GLU HA H 77 4.575 4.040 0.535 1
1 803 . 7 1 1 A 77 77 GLU CA C 77 57.962 58.696 -0.734 1
1 804 . 7 1 1 A 77 77 GLU CB C 77 28.292 28.520 -0.228 1
1 806 . 7 1 1 A 77 77 GLU N N 77 121.356 117.731 3.625 1
1 807 . 7 1 1 A 78 78 ASP H H 78 8.637 7.653 0.984 1
1 808 . 7 1 1 A 78 78 ASP HA H 78 4.399 4.387 0.012 1
1 811 . 7 1 1 A 78 78 ASP CA C 78 57.569 56.458 1.111 1
1 812 . 7 1 1 A 78 78 ASP CB C 78 40.715 40.917 -0.202 1
1 813 . 7 1 1 A 78 78 ASP N N 78 123.396 120.797 2.599 1
1 814 . 7 1 1 A 79 79 GLU H H 79 7.773 8.064 -0.291 1
1 815 . 7 1 1 A 79 79 GLU HA H 79 4.283 4.371 -0.088 1
1 820 . 7 1 1 A 79 79 GLU CA C 79 56.357 56.283 0.074 1
1 821 . 7 1 1 A 79 79 GLU CB C 79 30.855 30.728 0.127 1
1 823 . 7 1 1 A 79 79 GLU N N 79 115.336 116.289 -0.953 1
1 824 . 7 1 1 A 80 80 GLY H H 80 8.050 7.768 0.282 1
1 825 . 7 1 1 A 80 80 GLY HA2 H 80 4.031 3.988 0.043 1
1 826 . 7 1 1 A 80 80 GLY HA3 H 80 4.031 3.991 0.040 1
1 827 . 7 1 1 A 80 80 GLY CA C 80 46.314 46.055 0.259 1
1 828 . 7 1 1 A 80 80 GLY N N 80 108.957 108.358 0.599 1
1 829 . 7 1 1 A 81 81 LYS H H 81 8.188 7.713 0.475 1
1 830 . 7 1 1 A 81 81 LYS HA H 81 4.415 4.379 0.036 1
1 839 . 7 1 1 A 81 81 LYS CA C 81 56.716 56.425 0.291 1
1 840 . 7 1 1 A 81 81 LYS CB C 81 35.935 33.306 2.629 1
1 844 . 7 1 1 A 81 81 LYS N N 81 116.879 118.373 -1.494 1
1 845 . 7 1 1 A 82 82 LEU H H 82 7.499 7.892 -0.393 1
1 846 . 7 1 1 A 82 82 LEU HA H 82 3.977 4.012 -0.035 1
1 856 . 7 1 1 A 82 82 LEU CA C 82 57.480 58.097 -0.617 1
1 857 . 7 1 1 A 82 82 LEU CB C 82 40.489 41.319 -0.830 1
1 861 . 7 1 1 A 82 82 LEU N N 82 122.734 122.389 0.345 1
1 862 . 7 1 1 A 83 83 ASP H H 83 8.625 8.191 0.434 1
1 863 . 7 1 1 A 83 83 ASP HA H 83 4.248 4.373 -0.125 1
1 866 . 7 1 1 A 83 83 ASP CA C 83 58.680 57.834 0.846 1
1 867 . 7 1 1 A 83 83 ASP CB C 83 40.149 42.109 -1.960 1
1 868 . 7 1 1 A 83 83 ASP N N 83 119.728 119.374 0.354 1
1 869 . 7 1 1 A 84 84 SER H H 84 8.426 7.764 0.662 1
1 870 . 7 1 1 A 84 84 SER HA H 84 4.219 4.253 -0.034 1
1 873 . 7 1 1 A 84 84 SER CA C 84 61.473 61.111 0.362 1
1 874 . 7 1 1 A 84 84 SER CB C 84 62.589 63.025 -0.436 1
1 875 . 7 1 1 A 84 84 SER N N 84 113.454 114.431 -0.977 1
1 876 . 7 1 1 A 85 85 LEU H H 85 7.551 8.301 -0.750 1
1 877 . 7 1 1 A 85 85 LEU HA H 85 4.319 4.093 0.226 1
1 887 . 7 1 1 A 85 85 LEU CA C 85 58.355 57.898 0.457 1
1 888 . 7 1 1 A 85 85 LEU CB C 85 41.588 41.717 -0.129 1
1 892 . 7 1 1 A 85 85 LEU N N 85 126.500 122.082 4.418 1
1 893 . 7 1 1 A 86 86 LEU H H 86 8.382 7.893 0.489 1
1 894 . 7 1 1 A 86 86 LEU HA H 86 3.827 4.093 -0.266 1
1 904 . 7 1 1 A 86 86 LEU CA C 86 57.826 57.677 0.149 1
1 905 . 7 1 1 A 86 86 LEU CB C 86 41.840 41.372 0.468 1
1 909 . 7 1 1 A 86 86 LEU N N 86 117.962 116.707 1.255 1
1 910 . 7 1 1 A 87 87 LYS H H 87 7.522 7.862 -0.340 1
1 911 . 7 1 1 A 87 87 LYS HA H 87 4.331 4.103 0.228 1
1 920 . 7 1 1 A 87 87 LYS CA C 87 58.325 59.331 -1.006 1
1 921 . 7 1 1 A 87 87 LYS CB C 87 34.043 32.857 1.186 1
1 925 . 7 1 1 A 87 87 LYS N N 87 114.198 118.674 -4.476 1
1 926 . 7 1 1 A 88 88 THR H H 88 8.165 8.251 -0.086 1
1 927 . 7 1 1 A 88 88 THR HA H 88 4.507 4.429 0.078 1
1 932 . 7 1 1 A 88 88 THR CA C 88 62.385 62.589 -0.204 1
1 933 . 7 1 1 A 88 88 THR CB C 88 72.525 70.522 2.003 1
1 935 . 7 1 1 A 88 88 THR N N 88 106.021 108.128 -2.107 1
1 936 . 7 1 1 A 89 89 GLY H H 89 9.139 8.847 0.292 1
1 937 . 7 1 1 A 89 89 GLY HA2 H 89 3.612 3.905 -0.293 1
1 938 . 7 1 1 A 89 89 GLY HA3 H 89 4.204 3.910 0.294 1
1 939 . 7 1 1 A 89 89 GLY CA C 89 46.770 45.683 1.087 1
1 940 . 7 1 1 A 89 89 GLY N N 89 112.926 111.950 0.976 1
1 941 . 7 1 1 A 90 90 LYS H H 90 7.933 7.611 0.322 1
1 942 . 7 1 1 A 90 90 LYS HA H 90 4.459 4.942 -0.483 1
1 951 . 7 1 1 A 90 90 LYS CA C 90 54.576 54.388 0.188 1
1 952 . 7 1 1 A 90 90 LYS CB C 90 35.788 36.715 -0.927 1
1 956 . 7 1 1 A 90 90 LYS N N 90 117.810 119.896 -2.086 1
1 957 . 7 1 1 A 91 91 LEU H H 91 8.487 8.854 -0.367 1
1 958 . 7 1 1 A 91 91 LEU HA H 91 4.423 4.802 -0.379 1
1 968 . 7 1 1 A 91 91 LEU CA C 91 54.491 54.080 0.411 1
1 969 . 7 1 1 A 91 91 LEU CB C 91 43.083 41.904 1.179 1
1 973 . 7 1 1 A 91 91 LEU N N 91 123.364 121.914 1.450 1
1 1 . 8 1 1 A 2 2 PRO HA H 2 4.444 4.414 0.030 1
1 8 . 8 1 1 A 2 2 PRO CA C 2 63.468 63.630 -0.162 1
1 9 . 8 1 1 A 2 2 PRO CB C 2 32.153 31.180 0.973 1
1 12 . 8 1 1 A 3 3 GLY H H 3 8.672 8.484 0.188 1
1 13 . 8 1 1 A 3 3 GLY HA2 H 3 4.759 4.137 0.622 1
1 14 . 8 1 1 A 3 3 GLY HA3 H 3 4.759 4.138 0.621 1
1 15 . 8 1 1 A 3 3 GLY CA C 3 45.323 45.280 0.043 1
1 16 . 8 1 1 A 3 3 GLY N N 3 110.465 113.072 -2.607 1
1 17 . 8 1 1 A 4 4 SER H H 4 8.201 8.219 -0.018 1
1 18 . 8 1 1 A 4 4 SER HA H 4 4.454 4.823 -0.369 1
1 21 . 8 1 1 A 4 4 SER CA C 4 58.370 58.167 0.203 1
1 22 . 8 1 1 A 4 4 SER CB C 4 64.049 63.898 0.151 1
1 23 . 8 1 1 A 4 4 SER N N 4 115.747 116.912 -1.165 1
1 24 . 8 1 1 A 5 5 MET H H 5 8.315 8.784 -0.469 1
1 25 . 8 1 1 A 5 5 MET HA H 5 4.675 5.266 -0.591 1
1 30 . 8 1 1 A 5 5 MET CA C 5 55.466 54.337 1.129 1
1 31 . 8 1 1 A 5 5 MET CB C 5 34.462 37.923 -3.461 1
1 33 . 8 1 1 A 5 5 MET N N 5 121.679 126.504 -4.825 1
1 34 . 8 1 1 A 6 6 VAL H H 6 8.169 8.773 -0.604 1
1 35 . 8 1 1 A 6 6 VAL HA H 6 4.141 4.812 -0.671 1
1 43 . 8 1 1 A 6 6 VAL CA C 6 61.395 58.801 2.594 1
1 44 . 8 1 1 A 6 6 VAL CB C 6 32.669 35.819 -3.150 1
1 47 . 8 1 1 A 6 6 VAL N N 6 118.330 115.366 2.964 1
1 48 . 8 1 1 A 7 7 ASP H H 7 8.335 8.636 -0.301 1
1 49 . 8 1 1 A 7 7 ASP HA H 7 4.526 4.788 -0.262 1
1 52 . 8 1 1 A 7 7 ASP CA C 7 55.023 54.726 0.297 1
1 53 . 8 1 1 A 7 7 ASP CB C 7 41.455 41.002 0.453 1
1 54 . 8 1 1 A 7 7 ASP N N 7 122.032 121.913 0.119 1
1 55 . 8 1 1 A 8 8 VAL H H 8 8.662 9.021 -0.359 1
1 56 . 8 1 1 A 8 8 VAL HA H 8 4.947 4.997 -0.050 1
1 64 . 8 1 1 A 8 8 VAL CA C 8 61.415 61.846 -0.431 1
1 65 . 8 1 1 A 8 8 VAL CB C 8 33.703 33.287 0.416 1
1 68 . 8 1 1 A 8 8 VAL N N 8 124.216 126.003 -1.787 1
1 69 . 8 1 1 A 9 9 ILE H H 9 9.311 9.344 -0.033 1
1 70 . 8 1 1 A 9 9 ILE HA H 9 4.963 5.109 -0.146 1
1 80 . 8 1 1 A 9 9 ILE CA C 9 59.648 59.737 -0.089 1
1 81 . 8 1 1 A 9 9 ILE CB C 9 41.374 40.400 0.974 1
1 85 . 8 1 1 A 9 9 ILE N N 9 129.869 128.227 1.642 1
1 86 . 8 1 1 A 10 10 ILE H H 10 8.720 9.193 -0.473 1
1 87 . 8 1 1 A 10 10 ILE HA H 10 5.442 5.236 0.206 1
1 97 . 8 1 1 A 10 10 ILE CA C 10 58.153 58.448 -0.295 1
1 98 . 8 1 1 A 10 10 ILE CB C 10 41.947 41.079 0.868 1
1 102 . 8 1 1 A 10 10 ILE N N 10 123.598 129.174 -5.576 1
1 103 . 8 1 1 A 11 11 TYR H H 11 9.340 9.040 0.300 1
1 104 . 8 1 1 A 11 11 TYR HA H 11 5.667 5.675 -0.008 1
1 111 . 8 1 1 A 11 11 TYR CA C 11 57.300 56.186 1.114 1
1 112 . 8 1 1 A 11 11 TYR CB C 11 40.550 40.668 -0.118 1
1 113 . 8 1 1 A 11 11 TYR N N 11 128.888 127.852 1.036 1
1 114 . 8 1 1 A 12 12 THR H H 12 9.374 8.777 0.597 1
1 115 . 8 1 1 A 12 12 THR HA H 12 5.277 5.047 0.230 1
1 120 . 8 1 1 A 12 12 THR CA C 12 59.567 59.838 -0.271 1
1 121 . 8 1 1 A 12 12 THR CB C 12 72.183 72.461 -0.278 1
1 123 . 8 1 1 A 12 12 THR N N 12 112.083 114.026 -1.943 1
1 124 . 8 1 1 A 13 13 ARG H H 13 7.379 7.946 -0.567 1
1 125 . 8 1 1 A 13 13 ARG HA H 13 4.779 4.827 -0.048 1
1 132 . 8 1 1 A 13 13 ARG CA C 13 52.961 53.664 -0.703 1
1 133 . 8 1 1 A 13 13 ARG CB C 13 31.374 31.695 -0.321 1
1 136 . 8 1 1 A 13 13 ARG N N 13 113.131 120.556 -7.425 1
1 137 . 8 1 1 A 14 14 PRO HA H 14 4.276 4.521 -0.245 1
1 144 . 8 1 1 A 14 14 PRO CA C 14 63.498 62.678 0.820 1
1 145 . 8 1 1 A 14 14 PRO CB C 14 32.015 29.554 2.461 1
1 148 . 8 1 1 A 15 15 GLY H H 15 8.672 8.567 0.105 1
1 149 . 8 1 1 A 15 15 GLY HA2 H 15 3.946 4.112 -0.166 1
1 150 . 8 1 1 A 15 15 GLY HA3 H 15 3.946 4.114 -0.168 1
1 151 . 8 1 1 A 15 15 GLY N N 15 110.274 112.837 -2.563 1
1 152 . 8 1 1 A 16 16 CYS H H 16 6.985 7.735 -0.750 1
1 153 . 8 1 1 A 16 16 CYS HA H 16 4.769 4.907 -0.138 1
1 156 . 8 1 1 A 16 16 CYS CA C 16 56.315 56.878 -0.563 1
1 157 . 8 1 1 A 16 16 CYS CB C 16 31.724 31.018 0.706 1
1 158 . 8 1 1 A 16 16 CYS N N 16 124.357 116.166 8.191 1
1 159 . 8 1 1 A 17 17 PRO HA H 17 4.417 4.313 0.104 1
1 166 . 8 1 1 A 17 17 PRO CA C 17 64.516 65.281 -0.765 1
1 167 . 8 1 1 A 17 17 PRO CB C 17 32.205 31.877 0.328 1
1 170 . 8 1 1 A 18 18 TYR H H 18 9.273 7.851 1.422 1
1 171 . 8 1 1 A 18 18 TYR HA H 18 4.375 4.291 0.084 1
1 178 . 8 1 1 A 18 18 TYR CA C 18 61.227 61.090 0.137 1
1 179 . 8 1 1 A 18 18 TYR CB C 18 38.025 37.351 0.674 1
1 180 . 8 1 1 A 18 18 TYR N N 18 127.619 117.343 10.276 1
1 181 . 8 1 1 A 19 19 CYS H H 19 9.854 8.285 1.569 1
1 182 . 8 1 1 A 19 19 CYS HA H 19 3.870 4.051 -0.181 1
1 185 . 8 1 1 A 19 19 CYS CA C 19 64.810 63.054 1.756 1
1 186 . 8 1 1 A 19 19 CYS CB C 19 29.498 27.260 2.238 1
1 187 . 8 1 1 A 19 19 CYS N N 19 128.016 118.285 9.731 1
1 188 . 8 1 1 A 20 20 ALA H H 20 7.948 7.864 0.084 1
1 189 . 8 1 1 A 20 20 ALA HA H 20 3.995 4.010 -0.015 1
1 193 . 8 1 1 A 20 20 ALA CA C 20 55.804 55.358 0.446 1
1 194 . 8 1 1 A 20 20 ALA CB C 20 18.201 18.489 -0.288 1
1 195 . 8 1 1 A 20 20 ALA N N 20 121.373 122.368 -0.995 1
1 196 . 8 1 1 A 21 21 ARG H H 21 8.064 8.013 0.051 1
1 197 . 8 1 1 A 21 21 ARG HA H 21 4.159 4.073 0.086 1
1 204 . 8 1 1 A 21 21 ARG CA C 21 59.500 59.576 -0.076 1
1 205 . 8 1 1 A 21 21 ARG CB C 21 30.535 30.154 0.381 1
1 208 . 8 1 1 A 21 21 ARG N N 21 119.886 117.765 2.121 1
1 209 . 8 1 1 A 22 22 ALA H H 22 8.342 7.831 0.511 1
1 210 . 8 1 1 A 22 22 ALA HA H 22 4.174 4.167 0.007 1
1 214 . 8 1 1 A 22 22 ALA CA C 22 55.658 55.126 0.532 1
1 215 . 8 1 1 A 22 22 ALA CB C 22 19.485 18.283 1.202 1
1 216 . 8 1 1 A 22 22 ALA N N 22 125.852 121.715 4.137 1
1 217 . 8 1 1 A 23 23 LYS H H 23 7.968 8.328 -0.360 1
1 218 . 8 1 1 A 23 23 LYS HA H 23 3.243 3.811 -0.568 1
1 227 . 8 1 1 A 23 23 LYS CA C 23 60.699 59.396 1.303 1
1 228 . 8 1 1 A 23 23 LYS CB C 23 31.640 32.374 -0.734 1
1 232 . 8 1 1 A 23 23 LYS N N 23 116.539 117.620 -1.081 1
1 233 . 8 1 1 A 24 24 ALA H H 24 8.027 8.065 -0.038 1
1 234 . 8 1 1 A 24 24 ALA HA H 24 4.152 4.188 -0.036 1
1 238 . 8 1 1 A 24 24 ALA CA C 24 55.067 55.051 0.016 1
1 239 . 8 1 1 A 24 24 ALA CB C 24 18.039 18.514 -0.475 1
1 240 . 8 1 1 A 24 24 ALA N N 24 120.099 122.277 -2.178 1
1 241 . 8 1 1 A 25 25 LEU H H 25 7.184 8.166 -0.982 1
1 242 . 8 1 1 A 25 25 LEU HA H 25 4.089 4.134 -0.045 1
1 252 . 8 1 1 A 25 25 LEU CA C 25 57.761 57.719 0.042 1
1 253 . 8 1 1 A 25 25 LEU CB C 25 40.444 41.653 -1.209 1
1 257 . 8 1 1 A 25 25 LEU N N 25 119.676 120.241 -0.565 1
1 258 . 8 1 1 A 26 26 LEU H H 26 7.477 8.168 -0.691 1
1 259 . 8 1 1 A 26 26 LEU HA H 26 3.701 4.173 -0.472 1
1 269 . 8 1 1 A 26 26 LEU CA C 26 58.523 57.801 0.722 1
1 270 . 8 1 1 A 26 26 LEU CB C 26 41.105 40.292 0.813 1
1 274 . 8 1 1 A 26 26 LEU N N 26 117.225 118.290 -1.065 1
1 275 . 8 1 1 A 27 27 ALA H H 27 8.657 8.077 0.580 1
1 276 . 8 1 1 A 27 27 ALA HA H 27 4.368 4.194 0.174 1
1 280 . 8 1 1 A 27 27 ALA CA C 27 55.066 55.022 0.044 1
1 281 . 8 1 1 A 27 27 ALA CB C 27 18.137 18.198 -0.061 1
1 282 . 8 1 1 A 27 27 ALA N N 27 119.692 122.251 -2.559 1
1 283 . 8 1 1 A 28 28 ARG H H 28 8.048 7.858 0.190 1
1 284 . 8 1 1 A 28 28 ARG HA H 28 4.110 4.120 -0.010 1
1 291 . 8 1 1 A 28 28 ARG CA C 28 59.249 58.504 0.745 1
1 292 . 8 1 1 A 28 28 ARG CB C 28 29.962 29.670 0.292 1
1 295 . 8 1 1 A 28 28 ARG N N 28 121.433 118.856 2.577 1
1 296 . 8 1 1 A 29 29 LYS H H 29 7.660 7.790 -0.130 1
1 297 . 8 1 1 A 29 29 LYS HA H 29 4.192 4.353 -0.161 1
1 306 . 8 1 1 A 29 29 LYS CA C 29 54.864 55.273 -0.409 1
1 307 . 8 1 1 A 29 29 LYS CB C 29 31.476 32.128 -0.652 1
1 311 . 8 1 1 A 29 29 LYS N N 29 115.942 114.389 1.553 1
1 312 . 8 1 1 A 30 30 GLY H H 30 7.919 8.127 -0.208 1
1 313 . 8 1 1 A 30 30 GLY HA2 H 30 3.734 3.994 -0.260 1
1 314 . 8 1 1 A 30 30 GLY HA3 H 30 4.013 3.996 0.017 1
1 315 . 8 1 1 A 30 30 GLY CA C 30 45.497 45.986 -0.489 1
1 316 . 8 1 1 A 30 30 GLY N N 30 107.837 108.994 -1.157 1
1 317 . 8 1 1 A 31 31 ALA H H 31 7.830 7.863 -0.033 1
1 318 . 8 1 1 A 31 31 ALA HA H 31 4.446 4.305 0.141 1
1 322 . 8 1 1 A 31 31 ALA CA C 31 51.562 52.456 -0.894 1
1 323 . 8 1 1 A 31 31 ALA CB C 31 19.964 19.284 0.680 1
1 324 . 8 1 1 A 31 31 ALA N N 31 122.333 123.819 -1.486 1
1 325 . 8 1 1 A 32 32 GLU H H 32 8.322 8.474 -0.152 1
1 326 . 8 1 1 A 32 32 GLU HA H 32 4.173 4.359 -0.186 1
1 331 . 8 1 1 A 32 32 GLU CA C 32 55.621 56.358 -0.737 1
1 332 . 8 1 1 A 32 32 GLU CB C 32 29.734 29.854 -0.120 1
1 334 . 8 1 1 A 32 32 GLU N N 32 124.383 123.479 0.904 1
1 335 . 8 1 1 A 33 33 PHE H H 33 7.623 8.521 -0.898 1
1 336 . 8 1 1 A 33 33 PHE HA H 33 5.151 5.294 -0.143 1
1 344 . 8 1 1 A 33 33 PHE CA C 33 55.106 55.791 -0.685 1
1 345 . 8 1 1 A 33 33 PHE CB C 33 41.937 42.000 -0.063 1
1 346 . 8 1 1 A 33 33 PHE N N 33 116.953 117.547 -0.594 1
1 347 . 8 1 1 A 34 34 ASN H H 34 8.938 9.077 -0.139 1
1 348 . 8 1 1 A 34 34 ASN HA H 34 4.897 5.021 -0.124 1
1 353 . 8 1 1 A 34 34 ASN CA C 34 52.081 52.866 -0.785 1
1 354 . 8 1 1 A 34 34 ASN CB C 34 39.784 39.587 0.197 1
1 355 . 8 1 1 A 34 34 ASN N N 34 120.410 120.196 0.214 1
1 357 . 8 1 1 A 35 35 GLU H H 35 8.764 8.986 -0.222 1
1 358 . 8 1 1 A 35 35 GLU HA H 35 5.135 4.926 0.209 1
1 363 . 8 1 1 A 35 35 GLU CA C 35 54.519 56.024 -1.505 1
1 364 . 8 1 1 A 35 35 GLU CB C 35 31.306 30.659 0.647 1
1 366 . 8 1 1 A 35 35 GLU N N 35 126.769 127.505 -0.736 1
1 367 . 8 1 1 A 36 36 ILE H H 36 8.975 8.739 0.236 1
1 368 . 8 1 1 A 36 36 ILE HA H 36 4.108 4.788 -0.680 1
1 378 . 8 1 1 A 36 36 ILE CA C 36 60.156 59.069 1.087 1
1 379 . 8 1 1 A 36 36 ILE CB C 36 40.382 41.655 -1.273 1
1 383 . 8 1 1 A 36 36 ILE N N 36 130.393 127.478 2.915 1
1 384 . 8 1 1 A 37 37 ASP H H 37 8.494 8.708 -0.214 1
1 385 . 8 1 1 A 37 37 ASP HA H 37 4.965 5.242 -0.277 1
1 388 . 8 1 1 A 37 37 ASP CA C 37 52.537 52.654 -0.117 1
1 389 . 8 1 1 A 37 37 ASP CB C 37 39.350 43.060 -3.710 1
1 390 . 8 1 1 A 37 37 ASP N N 37 125.910 124.571 1.339 1
1 391 . 8 1 1 A 38 38 ALA H H 38 8.764 8.038 0.726 1
1 392 . 8 1 1 A 38 38 ALA HA H 38 4.621 4.269 0.352 1
1 396 . 8 1 1 A 38 38 ALA CA C 38 51.729 52.784 -1.055 1
1 397 . 8 1 1 A 38 38 ALA CB C 38 20.588 20.785 -0.197 1
1 398 . 8 1 1 A 38 38 ALA N N 38 130.164 124.128 6.036 1
1 399 . 8 1 1 A 39 39 SER H H 39 8.668 7.995 0.673 1
1 400 . 8 1 1 A 39 39 SER HA H 39 4.469 4.171 0.298 1
1 403 . 8 1 1 A 39 39 SER CA C 39 59.342 61.486 -2.144 1
1 404 . 8 1 1 A 39 39 SER CB C 39 64.938 62.970 1.968 1
1 405 . 8 1 1 A 39 39 SER N N 39 111.397 114.256 -2.859 1
1 406 . 8 1 1 A 40 40 ALA H H 40 7.466 7.823 -0.357 1
1 407 . 8 1 1 A 40 40 ALA HA H 40 4.136 4.093 0.043 1
1 411 . 8 1 1 A 40 40 ALA CA C 40 55.000 54.913 0.087 1
1 412 . 8 1 1 A 40 40 ALA CB C 40 20.463 18.745 1.718 1
1 413 . 8 1 1 A 40 40 ALA N N 40 124.335 121.962 2.373 1
1 414 . 8 1 1 A 41 41 THR H H 41 7.098 7.560 -0.462 1
1 415 . 8 1 1 A 41 41 THR HA H 41 4.978 4.861 0.117 1
1 420 . 8 1 1 A 41 41 THR CA C 41 57.841 58.743 -0.902 1
1 421 . 8 1 1 A 41 41 THR CB C 41 70.742 70.515 0.227 1
1 423 . 8 1 1 A 41 41 THR N N 41 105.166 107.532 -2.366 1
1 424 . 8 1 1 A 42 42 PRO HA H 42 4.299 4.340 -0.041 1
1 431 . 8 1 1 A 42 42 PRO CA C 42 64.586 65.347 -0.761 1
1 432 . 8 1 1 A 42 42 PRO CB C 42 31.963 31.942 0.021 1
1 435 . 8 1 1 A 43 43 GLU H H 43 8.997 8.100 0.897 1
1 436 . 8 1 1 A 43 43 GLU HA H 43 4.052 4.107 -0.055 1
1 441 . 8 1 1 A 43 43 GLU CA C 43 60.694 59.681 1.013 1
1 442 . 8 1 1 A 43 43 GLU CB C 43 28.709 29.642 -0.933 1
1 444 . 8 1 1 A 43 43 GLU N N 43 118.804 118.226 0.578 1
1 445 . 8 1 1 A 44 44 LEU H H 44 7.882 8.468 -0.586 1
1 446 . 8 1 1 A 44 44 LEU HA H 44 4.285 4.072 0.213 1
1 456 . 8 1 1 A 44 44 LEU CA C 44 57.573 57.880 -0.307 1
1 457 . 8 1 1 A 44 44 LEU CB C 44 42.548 41.438 1.110 1
1 461 . 8 1 1 A 44 44 LEU N N 44 122.381 120.166 2.215 1
1 462 . 8 1 1 A 45 45 ARG H H 45 7.709 7.700 0.009 1
1 463 . 8 1 1 A 45 45 ARG HA H 45 4.026 4.116 -0.090 1
1 470 . 8 1 1 A 45 45 ARG CA C 45 60.055 59.026 1.029 1
1 471 . 8 1 1 A 45 45 ARG CB C 45 29.943 29.575 0.368 1
1 474 . 8 1 1 A 45 45 ARG N N 45 122.487 121.030 1.457 1
1 475 . 8 1 1 A 46 46 ALA H H 46 8.144 7.958 0.186 1
1 476 . 8 1 1 A 46 46 ALA HA H 46 4.074 4.107 -0.033 1
1 480 . 8 1 1 A 46 46 ALA CA C 46 54.865 55.474 -0.609 1
1 481 . 8 1 1 A 46 46 ALA CB C 46 17.777 18.434 -0.657 1
1 482 . 8 1 1 A 46 46 ALA N N 46 121.132 122.470 -1.338 1
1 483 . 8 1 1 A 47 47 GLU H H 47 7.902 8.041 -0.139 1
1 484 . 8 1 1 A 47 47 GLU HA H 47 3.995 4.083 -0.088 1
1 489 . 8 1 1 A 47 47 GLU CA C 47 59.524 59.228 0.296 1
1 490 . 8 1 1 A 47 47 GLU CB C 47 29.915 29.026 0.889 1
1 492 . 8 1 1 A 47 47 GLU N N 47 121.104 116.759 4.345 1
1 493 . 8 1 1 A 48 48 MET H H 48 7.984 8.259 -0.275 1
1 494 . 8 1 1 A 48 48 MET HA H 48 2.786 4.539 -1.753 1
1 499 . 8 1 1 A 48 48 MET CA C 48 59.662 58.847 0.815 1
1 500 . 8 1 1 A 48 48 MET CB C 48 33.701 33.176 0.525 1
1 502 . 8 1 1 A 48 48 MET N N 48 118.769 119.717 -0.948 1
1 503 . 8 1 1 A 49 49 GLN H H 49 8.209 8.069 0.140 1
1 504 . 8 1 1 A 49 49 GLN HA H 49 4.299 4.224 0.075 1
1 511 . 8 1 1 A 49 49 GLN CA C 49 58.669 57.658 1.011 1
1 512 . 8 1 1 A 49 49 GLN CB C 49 28.742 27.441 1.301 1
1 514 . 8 1 1 A 49 49 GLN N N 49 122.155 116.339 5.816 1
1 516 . 8 1 1 A 50 50 GLU H H 50 8.671 7.988 0.683 1
1 517 . 8 1 1 A 50 50 GLU HA H 50 3.904 4.146 -0.242 1
1 522 . 8 1 1 A 50 50 GLU CA C 50 59.156 58.836 0.320 1
1 523 . 8 1 1 A 50 50 GLU CB C 50 29.504 29.473 0.031 1
1 525 . 8 1 1 A 50 50 GLU N N 50 122.081 120.269 1.812 1
1 526 . 8 1 1 A 51 51 ARG H H 51 8.244 7.928 0.316 1
1 527 . 8 1 1 A 51 51 ARG HA H 51 3.993 4.496 -0.503 1
1 534 . 8 1 1 A 51 51 ARG CA C 51 58.503 57.392 1.111 1
1 535 . 8 1 1 A 51 51 ARG CB C 51 31.363 31.303 0.060 1
1 538 . 8 1 1 A 51 51 ARG N N 51 115.848 119.137 -3.289 1
1 539 . 8 1 1 A 52 52 SER H H 52 7.994 7.447 0.547 1
1 540 . 8 1 1 A 52 52 SER HA H 52 3.674 4.277 -0.603 1
1 543 . 8 1 1 A 52 52 SER CA C 52 58.897 58.950 -0.053 1
1 544 . 8 1 1 A 52 52 SER CB C 52 66.908 63.503 3.405 1
1 545 . 8 1 1 A 52 52 SER N N 52 109.721 111.599 -1.878 1
1 546 . 8 1 1 A 53 53 GLY H H 53 8.205 8.814 -0.609 1
1 547 . 8 1 1 A 53 53 GLY HA2 H 53 3.815 3.845 -0.030 1
1 548 . 8 1 1 A 53 53 GLY HA3 H 53 4.063 3.873 0.190 1
1 549 . 8 1 1 A 53 53 GLY CA C 53 46.182 45.367 0.815 1
1 550 . 8 1 1 A 53 53 GLY N N 53 112.716 109.131 3.585 1
1 551 . 8 1 1 A 54 54 ARG H H 54 8.323 7.562 0.761 1
1 552 . 8 1 1 A 54 54 ARG HA H 54 4.595 4.640 -0.045 1
1 559 . 8 1 1 A 54 54 ARG CA C 54 54.426 54.123 0.303 1
1 560 . 8 1 1 A 54 54 ARG CB C 54 35.418 32.373 3.045 1
1 563 . 8 1 1 A 54 54 ARG N N 54 119.629 120.019 -0.390 1
1 564 . 8 1 1 A 55 55 ASN H H 55 8.184 8.452 -0.268 1
1 565 . 8 1 1 A 55 55 ASN HA H 55 4.692 4.437 0.255 1
1 570 . 8 1 1 A 55 55 ASN CA C 55 51.458 56.399 -4.941 1
1 571 . 8 1 1 A 55 55 ASN N N 55 112.763 118.934 -6.171 1
1 573 . 8 1 1 A 56 56 THR H H 56 6.730 7.810 -1.080 1
1 574 . 8 1 1 A 56 56 THR HA H 56 4.309 4.840 -0.531 1
1 579 . 8 1 1 A 56 56 THR CA C 56 59.120 61.084 -1.964 1
1 580 . 8 1 1 A 56 56 THR CB C 56 70.754 71.396 -0.642 1
1 582 . 8 1 1 A 56 56 THR N N 56 107.946 107.687 0.259 1
1 583 . 8 1 1 A 57 57 PHE H H 57 8.568 9.042 -0.474 1
1 584 . 8 1 1 A 57 57 PHE HA H 57 4.641 5.060 -0.419 1
1 592 . 8 1 1 A 57 57 PHE CA C 57 54.923 55.286 -0.363 1
1 593 . 8 1 1 A 57 57 PHE CB C 57 41.272 40.498 0.774 1
1 594 . 8 1 1 A 57 57 PHE N N 57 117.566 118.498 -0.932 1
1 595 . 8 1 1 A 58 58 PRO HA H 58 5.604 4.729 0.875 1
1 602 . 8 1 1 A 58 58 PRO CA C 58 62.749 62.708 0.041 1
1 603 . 8 1 1 A 58 58 PRO CB C 58 36.563 31.662 4.901 1
1 606 . 8 1 1 A 59 59 GLN H H 59 7.926 8.470 -0.544 1
1 607 . 8 1 1 A 59 59 GLN HA H 59 4.813 4.668 0.145 1
1 614 . 8 1 1 A 59 59 GLN CA C 59 55.111 55.001 0.110 1
1 615 . 8 1 1 A 59 59 GLN CB C 59 31.737 29.614 2.123 1
1 617 . 8 1 1 A 59 59 GLN N N 59 112.301 121.539 -9.238 1
1 619 . 8 1 1 A 60 60 ILE H H 60 8.936 8.920 0.016 1
1 620 . 8 1 1 A 60 60 ILE HA H 60 4.933 4.208 0.725 1
1 630 . 8 1 1 A 60 60 ILE CA C 60 61.288 60.045 1.243 1
1 631 . 8 1 1 A 60 60 ILE CB C 60 40.912 38.665 2.247 1
1 635 . 8 1 1 A 60 60 ILE N N 60 123.133 124.075 -0.942 1
1 636 . 8 1 1 A 61 61 PHE H H 61 9.629 8.952 0.677 1
1 637 . 8 1 1 A 61 61 PHE HA H 61 5.354 5.165 0.189 1
1 645 . 8 1 1 A 61 61 PHE CA C 61 56.630 57.104 -0.474 1
1 646 . 8 1 1 A 61 61 PHE CB C 61 41.883 40.072 1.811 1
1 647 . 8 1 1 A 61 61 PHE N N 61 128.347 127.000 1.347 1
1 648 . 8 1 1 A 62 62 ILE H H 62 9.070 8.876 0.194 1
1 649 . 8 1 1 A 62 62 ILE HA H 62 4.587 4.570 0.017 1
1 659 . 8 1 1 A 62 62 ILE CA C 62 60.903 60.269 0.634 1
1 660 . 8 1 1 A 62 62 ILE CB C 62 39.789 39.349 0.440 1
1 664 . 8 1 1 A 62 62 ILE N N 62 122.709 123.741 -1.032 1
1 665 . 8 1 1 A 63 63 GLY H H 63 9.303 8.551 0.752 1
1 666 . 8 1 1 A 63 63 GLY HA2 H 63 3.889 3.881 0.008 1
1 667 . 8 1 1 A 63 63 GLY HA3 H 63 4.081 3.881 0.200 1
1 668 . 8 1 1 A 63 63 GLY CA C 63 47.216 47.351 -0.135 1
1 669 . 8 1 1 A 63 63 GLY N N 63 116.351 118.072 -1.721 1
1 670 . 8 1 1 A 64 64 SER H H 64 9.242 8.190 1.052 1
1 671 . 8 1 1 A 64 64 SER HA H 64 4.525 4.557 -0.032 1
1 674 . 8 1 1 A 64 64 SER CA C 64 59.046 58.042 1.004 1
1 675 . 8 1 1 A 64 64 SER CB C 64 63.900 63.991 -0.091 1
1 676 . 8 1 1 A 64 64 SER N N 64 122.307 121.540 0.767 1
1 677 . 8 1 1 A 65 65 VAL H H 65 8.475 7.622 0.853 1
1 678 . 8 1 1 A 65 65 VAL HA H 65 4.013 4.782 -0.769 1
1 686 . 8 1 1 A 65 65 VAL CA C 65 62.737 60.448 2.289 1
1 687 . 8 1 1 A 65 65 VAL CB C 65 33.308 35.674 -2.366 1
1 690 . 8 1 1 A 65 65 VAL N N 65 124.659 121.625 3.034 1
1 691 . 8 1 1 A 66 66 HIS H H 66 8.968 8.996 -0.028 1
1 692 . 8 1 1 A 66 66 HIS HA H 66 4.337 5.286 -0.949 1
1 698 . 8 1 1 A 66 66 HIS CA C 66 54.409 54.619 -0.210 1
1 699 . 8 1 1 A 66 66 HIS CB C 66 31.099 30.479 0.620 1
1 700 . 8 1 1 A 66 66 HIS N N 66 128.172 126.357 1.815 1
1 701 . 8 1 1 A 67 67 VAL H H 67 8.148 8.923 -0.775 1
1 702 . 8 1 1 A 67 67 VAL HA H 67 3.329 3.711 -0.382 1
1 710 . 8 1 1 A 67 67 VAL CA C 67 64.129 65.544 -1.415 1
1 711 . 8 1 1 A 67 67 VAL CB C 67 32.554 32.269 0.285 1
1 714 . 8 1 1 A 67 67 VAL N N 67 130.509 127.537 2.972 1
1 715 . 8 1 1 A 68 68 GLY H H 68 6.365 7.482 -1.117 1
1 716 . 8 1 1 A 68 68 GLY HA2 H 68 3.003 4.153 -1.150 1
1 717 . 8 1 1 A 68 68 GLY HA3 H 68 4.513 4.207 0.306 1
1 718 . 8 1 1 A 68 68 GLY CA C 68 43.722 45.724 -2.002 1
1 719 . 8 1 1 A 68 68 GLY N N 68 102.729 105.907 -3.178 1
1 720 . 8 1 1 A 69 69 GLY H H 69 9.087 8.445 0.642 1
1 721 . 8 1 1 A 69 69 GLY HA2 H 69 3.752 4.163 -0.411 1
1 722 . 8 1 1 A 69 69 GLY HA3 H 69 4.633 4.425 0.208 1
1 723 . 8 1 1 A 69 69 GLY CA C 69 43.851 44.682 -0.831 1
1 724 . 8 1 1 A 69 69 GLY N N 69 110.274 112.378 -2.104 1
1 725 . 8 1 1 A 70 70 CYS H H 70 8.467 9.005 -0.538 1
1 726 . 8 1 1 A 70 70 CYS HA H 70 3.806 4.092 -0.286 1
1 729 . 8 1 1 A 70 70 CYS CA C 70 63.366 62.491 0.875 1
1 730 . 8 1 1 A 70 70 CYS CB C 70 27.642 26.989 0.653 1
1 731 . 8 1 1 A 70 70 CYS N N 70 118.787 118.266 0.521 1
1 732 . 8 1 1 A 71 71 ASP HA H 71 4.398 4.290 0.108 1
1 735 . 8 1 1 A 71 71 ASP CA C 71 57.405 57.774 -0.369 1
1 736 . 8 1 1 A 71 71 ASP CB C 71 39.058 41.938 -2.880 1
1 737 . 8 1 1 A 72 72 ASP H H 72 7.266 8.163 -0.897 1
1 738 . 8 1 1 A 72 72 ASP HA H 72 4.285 4.426 -0.141 1
1 741 . 8 1 1 A 72 72 ASP CA C 72 57.322 57.412 -0.090 1
1 742 . 8 1 1 A 72 72 ASP CB C 72 41.553 40.782 0.771 1
1 743 . 8 1 1 A 72 72 ASP N N 72 119.650 119.583 0.067 1
1 744 . 8 1 1 A 73 73 LEU H H 73 7.755 8.353 -0.598 1
1 745 . 8 1 1 A 73 73 LEU HA H 73 3.736 4.089 -0.353 1
1 755 . 8 1 1 A 73 73 LEU CA C 73 58.272 57.912 0.360 1
1 756 . 8 1 1 A 73 73 LEU CB C 73 41.995 41.813 0.182 1
1 760 . 8 1 1 A 73 73 LEU N N 73 121.526 121.324 0.202 1
1 761 . 8 1 1 A 74 74 TYR H H 74 8.244 8.502 -0.258 1
1 762 . 8 1 1 A 74 74 TYR HA H 74 3.697 4.076 -0.379 1
1 769 . 8 1 1 A 74 74 TYR CA C 74 62.802 61.563 1.239 1
1 770 . 8 1 1 A 74 74 TYR CB C 74 37.819 37.833 -0.014 1
1 771 . 8 1 1 A 74 74 TYR N N 74 116.552 118.134 -1.582 1
1 772 . 8 1 1 A 75 75 ALA H H 75 8.169 8.300 -0.131 1
1 773 . 8 1 1 A 75 75 ALA HA H 75 4.286 4.181 0.105 1
1 777 . 8 1 1 A 75 75 ALA CA C 75 55.465 54.958 0.507 1
1 778 . 8 1 1 A 75 75 ALA CB C 75 17.722 18.566 -0.844 1
1 779 . 8 1 1 A 75 75 ALA N N 75 122.825 123.318 -0.493 1
1 780 . 8 1 1 A 76 76 LEU H H 76 7.353 8.348 -0.995 1
1 781 . 8 1 1 A 76 76 LEU HA H 76 4.003 4.065 -0.062 1
1 791 . 8 1 1 A 76 76 LEU CA C 76 57.687 57.846 -0.159 1
1 792 . 8 1 1 A 76 76 LEU CB C 76 42.753 41.623 1.130 1
1 796 . 8 1 1 A 76 76 LEU N N 76 116.756 120.615 -3.859 1
1 797 . 8 1 1 A 77 77 GLU H H 77 7.420 8.316 -0.896 1
1 798 . 8 1 1 A 77 77 GLU HA H 77 4.575 4.055 0.520 1
1 803 . 8 1 1 A 77 77 GLU CA C 77 57.962 58.892 -0.930 1
1 804 . 8 1 1 A 77 77 GLU CB C 77 28.292 28.603 -0.311 1
1 806 . 8 1 1 A 77 77 GLU N N 77 121.356 117.741 3.615 1
1 807 . 8 1 1 A 78 78 ASP H H 78 8.637 7.750 0.887 1
1 808 . 8 1 1 A 78 78 ASP HA H 78 4.399 4.393 0.006 1
1 811 . 8 1 1 A 78 78 ASP CA C 78 57.569 57.030 0.539 1
1 812 . 8 1 1 A 78 78 ASP CB C 78 40.715 41.043 -0.328 1
1 813 . 8 1 1 A 78 78 ASP N N 78 123.396 120.763 2.633 1
1 814 . 8 1 1 A 79 79 GLU H H 79 7.773 8.029 -0.256 1
1 815 . 8 1 1 A 79 79 GLU HA H 79 4.283 4.391 -0.108 1
1 820 . 8 1 1 A 79 79 GLU CA C 79 56.357 56.268 0.089 1
1 821 . 8 1 1 A 79 79 GLU CB C 79 30.855 30.816 0.039 1
1 823 . 8 1 1 A 79 79 GLU N N 79 115.336 116.159 -0.823 1
1 824 . 8 1 1 A 80 80 GLY H H 80 8.050 7.925 0.125 1
1 825 . 8 1 1 A 80 80 GLY HA2 H 80 4.031 3.973 0.058 1
1 826 . 8 1 1 A 80 80 GLY HA3 H 80 4.031 3.973 0.058 1
1 827 . 8 1 1 A 80 80 GLY CA C 80 46.314 46.077 0.237 1
1 828 . 8 1 1 A 80 80 GLY N N 80 108.957 108.465 0.492 1
1 829 . 8 1 1 A 81 81 LYS H H 81 8.188 7.612 0.576 1
1 830 . 8 1 1 A 81 81 LYS HA H 81 4.415 4.309 0.106 1
1 839 . 8 1 1 A 81 81 LYS CA C 81 56.716 57.147 -0.431 1
1 840 . 8 1 1 A 81 81 LYS CB C 81 35.935 32.657 3.278 1
1 844 . 8 1 1 A 81 81 LYS N N 81 116.879 118.978 -2.099 1
1 845 . 8 1 1 A 82 82 LEU H H 82 7.499 8.224 -0.725 1
1 846 . 8 1 1 A 82 82 LEU HA H 82 3.977 3.997 -0.020 1
1 856 . 8 1 1 A 82 82 LEU CA C 82 57.480 57.841 -0.361 1
1 857 . 8 1 1 A 82 82 LEU CB C 82 40.489 41.552 -1.063 1
1 861 . 8 1 1 A 82 82 LEU N N 82 122.734 122.428 0.306 1
1 862 . 8 1 1 A 83 83 ASP H H 83 8.625 8.425 0.200 1
1 863 . 8 1 1 A 83 83 ASP HA H 83 4.248 4.339 -0.091 1
1 866 . 8 1 1 A 83 83 ASP CA C 83 58.680 57.590 1.090 1
1 867 . 8 1 1 A 83 83 ASP CB C 83 40.149 40.644 -0.495 1
1 868 . 8 1 1 A 83 83 ASP N N 83 119.728 118.670 1.058 1
1 869 . 8 1 1 A 84 84 SER H H 84 8.426 7.925 0.501 1
1 870 . 8 1 1 A 84 84 SER HA H 84 4.219 4.317 -0.098 1
1 873 . 8 1 1 A 84 84 SER CA C 84 61.473 61.647 -0.174 1
1 874 . 8 1 1 A 84 84 SER CB C 84 62.589 63.281 -0.692 1
1 875 . 8 1 1 A 84 84 SER N N 84 113.454 115.957 -2.503 1
1 876 . 8 1 1 A 85 85 LEU H H 85 7.551 7.769 -0.218 1
1 877 . 8 1 1 A 85 85 LEU HA H 85 4.319 4.094 0.225 1
1 887 . 8 1 1 A 85 85 LEU CA C 85 58.355 57.632 0.723 1
1 888 . 8 1 1 A 85 85 LEU CB C 85 41.588 41.506 0.082 1
1 892 . 8 1 1 A 85 85 LEU N N 85 126.500 121.383 5.117 1
1 893 . 8 1 1 A 86 86 LEU H H 86 8.382 7.884 0.498 1
1 894 . 8 1 1 A 86 86 LEU HA H 86 3.827 4.095 -0.268 1
1 904 . 8 1 1 A 86 86 LEU CA C 86 57.826 57.678 0.148 1
1 905 . 8 1 1 A 86 86 LEU CB C 86 41.840 41.387 0.453 1
1 909 . 8 1 1 A 86 86 LEU N N 86 117.962 115.648 2.314 1
1 910 . 8 1 1 A 87 87 LYS H H 87 7.522 7.567 -0.045 1
1 911 . 8 1 1 A 87 87 LYS HA H 87 4.331 4.066 0.265 1
1 920 . 8 1 1 A 87 87 LYS CA C 87 58.325 59.179 -0.854 1
1 921 . 8 1 1 A 87 87 LYS CB C 87 34.043 32.508 1.535 1
1 925 . 8 1 1 A 87 87 LYS N N 87 114.198 119.023 -4.825 1
1 926 . 8 1 1 A 88 88 THR H H 88 8.165 8.116 0.049 1
1 927 . 8 1 1 A 88 88 THR HA H 88 4.507 4.428 0.079 1
1 932 . 8 1 1 A 88 88 THR CA C 88 62.385 62.589 -0.204 1
1 933 . 8 1 1 A 88 88 THR CB C 88 72.525 70.521 2.004 1
1 935 . 8 1 1 A 88 88 THR N N 88 106.021 108.801 -2.780 1
1 936 . 8 1 1 A 89 89 GLY H H 89 9.139 8.681 0.458 1
1 937 . 8 1 1 A 89 89 GLY HA2 H 89 3.612 3.922 -0.310 1
1 938 . 8 1 1 A 89 89 GLY HA3 H 89 4.204 3.927 0.277 1
1 939 . 8 1 1 A 89 89 GLY CA C 89 46.770 45.649 1.121 1
1 940 . 8 1 1 A 89 89 GLY N N 89 112.926 112.048 0.878 1
1 941 . 8 1 1 A 90 90 LYS H H 90 7.933 7.686 0.247 1
1 942 . 8 1 1 A 90 90 LYS HA H 90 4.459 5.059 -0.600 1
1 951 . 8 1 1 A 90 90 LYS CA C 90 54.576 54.238 0.338 1
1 952 . 8 1 1 A 90 90 LYS CB C 90 35.788 36.287 -0.499 1
1 956 . 8 1 1 A 90 90 LYS N N 90 117.810 120.003 -2.193 1
1 957 . 8 1 1 A 91 91 LEU H H 91 8.487 8.680 -0.193 1
1 958 . 8 1 1 A 91 91 LEU HA H 91 4.423 4.815 -0.392 1
1 968 . 8 1 1 A 91 91 LEU CA C 91 54.491 53.631 0.860 1
1 969 . 8 1 1 A 91 91 LEU CB C 91 43.083 43.983 -0.900 1
1 973 . 8 1 1 A 91 91 LEU N N 91 123.364 122.623 0.741 1
1 1 . 9 1 1 A 2 2 PRO HA H 2 4.444 4.435 0.009 1
1 8 . 9 1 1 A 2 2 PRO CA C 2 63.468 64.866 -1.398 1
1 9 . 9 1 1 A 2 2 PRO CB C 2 32.153 31.945 0.208 1
1 12 . 9 1 1 A 3 3 GLY H H 3 8.672 8.421 0.251 1
1 13 . 9 1 1 A 3 3 GLY HA2 H 3 4.759 3.970 0.789 1
1 14 . 9 1 1 A 3 3 GLY HA3 H 3 4.759 3.970 0.789 1
1 15 . 9 1 1 A 3 3 GLY CA C 3 45.323 46.730 -1.407 1
1 16 . 9 1 1 A 3 3 GLY N N 3 110.465 107.407 3.058 1
1 17 . 9 1 1 A 4 4 SER H H 4 8.201 7.738 0.463 1
1 18 . 9 1 1 A 4 4 SER HA H 4 4.454 4.954 -0.500 1
1 21 . 9 1 1 A 4 4 SER CA C 4 58.370 57.766 0.604 1
1 22 . 9 1 1 A 4 4 SER CB C 4 64.049 65.749 -1.700 1
1 23 . 9 1 1 A 4 4 SER N N 4 115.747 113.716 2.031 1
1 24 . 9 1 1 A 5 5 MET H H 5 8.315 8.771 -0.456 1
1 25 . 9 1 1 A 5 5 MET HA H 5 4.675 5.109 -0.434 1
1 30 . 9 1 1 A 5 5 MET CA C 5 55.466 54.567 0.899 1
1 31 . 9 1 1 A 5 5 MET CB C 5 34.462 35.821 -1.359 1
1 33 . 9 1 1 A 5 5 MET N N 5 121.679 121.323 0.356 1
1 34 . 9 1 1 A 6 6 VAL H H 6 8.169 8.793 -0.624 1
1 35 . 9 1 1 A 6 6 VAL HA H 6 4.141 4.814 -0.673 1
1 43 . 9 1 1 A 6 6 VAL CA C 6 61.395 59.706 1.689 1
1 44 . 9 1 1 A 6 6 VAL CB C 6 32.669 34.341 -1.672 1
1 47 . 9 1 1 A 6 6 VAL N N 6 118.330 119.338 -1.008 1
1 48 . 9 1 1 A 7 7 ASP H H 7 8.335 8.701 -0.366 1
1 49 . 9 1 1 A 7 7 ASP HA H 7 4.526 4.761 -0.235 1
1 52 . 9 1 1 A 7 7 ASP CA C 7 55.023 54.743 0.280 1
1 53 . 9 1 1 A 7 7 ASP CB C 7 41.455 40.968 0.487 1
1 54 . 9 1 1 A 7 7 ASP N N 7 122.032 123.803 -1.771 1
1 55 . 9 1 1 A 8 8 VAL H H 8 8.662 9.141 -0.479 1
1 56 . 9 1 1 A 8 8 VAL HA H 8 4.947 4.921 0.026 1
1 64 . 9 1 1 A 8 8 VAL CA C 8 61.415 61.592 -0.177 1
1 65 . 9 1 1 A 8 8 VAL CB C 8 33.703 33.194 0.509 1
1 68 . 9 1 1 A 8 8 VAL N N 8 124.216 125.644 -1.428 1
1 69 . 9 1 1 A 9 9 ILE H H 9 9.311 9.326 -0.015 1
1 70 . 9 1 1 A 9 9 ILE HA H 9 4.963 5.209 -0.246 1
1 80 . 9 1 1 A 9 9 ILE CA C 9 59.648 59.928 -0.280 1
1 81 . 9 1 1 A 9 9 ILE CB C 9 41.374 41.328 0.046 1
1 85 . 9 1 1 A 9 9 ILE N N 9 129.869 126.898 2.971 1
1 86 . 9 1 1 A 10 10 ILE H H 10 8.720 9.370 -0.650 1
1 87 . 9 1 1 A 10 10 ILE HA H 10 5.442 5.029 0.413 1
1 97 . 9 1 1 A 10 10 ILE CA C 10 58.153 58.520 -0.367 1
1 98 . 9 1 1 A 10 10 ILE CB C 10 41.947 41.740 0.207 1
1 102 . 9 1 1 A 10 10 ILE N N 10 123.598 126.654 -3.056 1
1 103 . 9 1 1 A 11 11 TYR H H 11 9.340 8.564 0.776 1
1 104 . 9 1 1 A 11 11 TYR HA H 11 5.667 5.614 0.053 1
1 111 . 9 1 1 A 11 11 TYR CA C 11 57.300 56.307 0.993 1
1 112 . 9 1 1 A 11 11 TYR CB C 11 40.550 40.282 0.268 1
1 113 . 9 1 1 A 11 11 TYR N N 11 128.888 127.570 1.318 1
1 114 . 9 1 1 A 12 12 THR H H 12 9.374 8.761 0.613 1
1 115 . 9 1 1 A 12 12 THR HA H 12 5.277 5.046 0.231 1
1 120 . 9 1 1 A 12 12 THR CA C 12 59.567 59.715 -0.148 1
1 121 . 9 1 1 A 12 12 THR CB C 12 72.183 72.355 -0.172 1
1 123 . 9 1 1 A 12 12 THR N N 12 112.083 114.259 -2.176 1
1 124 . 9 1 1 A 13 13 ARG H H 13 7.379 7.955 -0.576 1
1 125 . 9 1 1 A 13 13 ARG HA H 13 4.779 4.804 -0.025 1
1 132 . 9 1 1 A 13 13 ARG CA C 13 52.961 53.647 -0.686 1
1 133 . 9 1 1 A 13 13 ARG CB C 13 31.374 31.629 -0.255 1
1 136 . 9 1 1 A 13 13 ARG N N 13 113.131 120.532 -7.401 1
1 137 . 9 1 1 A 14 14 PRO HA H 14 4.276 4.510 -0.234 1
1 144 . 9 1 1 A 14 14 PRO CA C 14 63.498 62.666 0.832 1
1 145 . 9 1 1 A 14 14 PRO CB C 14 32.015 29.546 2.469 1
1 148 . 9 1 1 A 15 15 GLY H H 15 8.672 8.477 0.195 1
1 149 . 9 1 1 A 15 15 GLY HA2 H 15 3.946 4.085 -0.139 1
1 150 . 9 1 1 A 15 15 GLY HA3 H 15 3.946 4.089 -0.143 1
1 151 . 9 1 1 A 15 15 GLY N N 15 110.274 112.813 -2.539 1
1 152 . 9 1 1 A 16 16 CYS H H 16 6.985 7.687 -0.702 1
1 153 . 9 1 1 A 16 16 CYS HA H 16 4.769 4.784 -0.015 1
1 156 . 9 1 1 A 16 16 CYS CA C 16 56.315 56.770 -0.455 1
1 157 . 9 1 1 A 16 16 CYS CB C 16 31.724 30.814 0.910 1
1 158 . 9 1 1 A 16 16 CYS N N 16 124.357 116.102 8.255 1
1 159 . 9 1 1 A 17 17 PRO HA H 17 4.417 4.279 0.138 1
1 166 . 9 1 1 A 17 17 PRO CA C 17 64.516 65.091 -0.575 1
1 167 . 9 1 1 A 17 17 PRO CB C 17 32.205 31.809 0.396 1
1 170 . 9 1 1 A 18 18 TYR H H 18 9.273 7.377 1.896 1
1 171 . 9 1 1 A 18 18 TYR HA H 18 4.375 4.286 0.089 1
1 178 . 9 1 1 A 18 18 TYR CA C 18 61.227 61.087 0.140 1
1 179 . 9 1 1 A 18 18 TYR CB C 18 38.025 37.347 0.678 1
1 180 . 9 1 1 A 18 18 TYR N N 18 127.619 117.339 10.280 1
1 181 . 9 1 1 A 19 19 CYS H H 19 9.854 8.233 1.621 1
1 182 . 9 1 1 A 19 19 CYS HA H 19 3.870 4.077 -0.207 1
1 185 . 9 1 1 A 19 19 CYS CA C 19 64.810 63.055 1.755 1
1 186 . 9 1 1 A 19 19 CYS CB C 19 29.498 27.157 2.341 1
1 187 . 9 1 1 A 19 19 CYS N N 19 128.016 118.408 9.608 1
1 188 . 9 1 1 A 20 20 ALA H H 20 7.948 7.849 0.099 1
1 189 . 9 1 1 A 20 20 ALA HA H 20 3.995 4.017 -0.022 1
1 193 . 9 1 1 A 20 20 ALA CA C 20 55.804 55.403 0.401 1
1 194 . 9 1 1 A 20 20 ALA CB C 20 18.201 18.553 -0.352 1
1 195 . 9 1 1 A 20 20 ALA N N 20 121.373 122.373 -1.000 1
1 196 . 9 1 1 A 21 21 ARG H H 21 8.064 8.036 0.028 1
1 197 . 9 1 1 A 21 21 ARG HA H 21 4.159 4.086 0.073 1
1 204 . 9 1 1 A 21 21 ARG CA C 21 59.500 59.571 -0.071 1
1 205 . 9 1 1 A 21 21 ARG CB C 21 30.535 30.189 0.346 1
1 208 . 9 1 1 A 21 21 ARG N N 21 119.886 117.788 2.098 1
1 209 . 9 1 1 A 22 22 ALA H H 22 8.342 7.872 0.470 1
1 210 . 9 1 1 A 22 22 ALA HA H 22 4.174 4.207 -0.033 1
1 214 . 9 1 1 A 22 22 ALA CA C 22 55.658 55.298 0.360 1
1 215 . 9 1 1 A 22 22 ALA CB C 22 19.485 18.148 1.337 1
1 216 . 9 1 1 A 22 22 ALA N N 22 125.852 121.973 3.879 1
1 217 . 9 1 1 A 23 23 LYS H H 23 7.968 8.279 -0.311 1
1 218 . 9 1 1 A 23 23 LYS HA H 23 3.243 4.023 -0.780 1
1 227 . 9 1 1 A 23 23 LYS CA C 23 60.699 59.216 1.483 1
1 228 . 9 1 1 A 23 23 LYS CB C 23 31.640 32.494 -0.854 1
1 232 . 9 1 1 A 23 23 LYS N N 23 116.539 117.355 -0.816 1
1 233 . 9 1 1 A 24 24 ALA H H 24 8.027 8.234 -0.207 1
1 234 . 9 1 1 A 24 24 ALA HA H 24 4.152 4.134 0.018 1
1 238 . 9 1 1 A 24 24 ALA CA C 24 55.067 54.957 0.110 1
1 239 . 9 1 1 A 24 24 ALA CB C 24 18.039 18.435 -0.396 1
1 240 . 9 1 1 A 24 24 ALA N N 24 120.099 122.233 -2.134 1
1 241 . 9 1 1 A 25 25 LEU H H 25 7.184 8.122 -0.938 1
1 242 . 9 1 1 A 25 25 LEU HA H 25 4.089 4.134 -0.045 1
1 252 . 9 1 1 A 25 25 LEU CA C 25 57.761 57.733 0.028 1
1 253 . 9 1 1 A 25 25 LEU CB C 25 40.444 41.818 -1.374 1
1 257 . 9 1 1 A 25 25 LEU N N 25 119.676 119.999 -0.323 1
1 258 . 9 1 1 A 26 26 LEU H H 26 7.477 8.288 -0.811 1
1 259 . 9 1 1 A 26 26 LEU HA H 26 3.701 4.216 -0.515 1
1 269 . 9 1 1 A 26 26 LEU CA C 26 58.523 57.504 1.019 1
1 270 . 9 1 1 A 26 26 LEU CB C 26 41.105 40.773 0.332 1
1 274 . 9 1 1 A 26 26 LEU N N 26 117.225 118.530 -1.305 1
1 275 . 9 1 1 A 27 27 ALA H H 27 8.657 8.278 0.379 1
1 276 . 9 1 1 A 27 27 ALA HA H 27 4.368 4.158 0.210 1
1 280 . 9 1 1 A 27 27 ALA CA C 27 55.066 55.131 -0.065 1
1 281 . 9 1 1 A 27 27 ALA CB C 27 18.137 18.290 -0.153 1
1 282 . 9 1 1 A 27 27 ALA N N 27 119.692 122.122 -2.430 1
1 283 . 9 1 1 A 28 28 ARG H H 28 8.048 7.838 0.210 1
1 284 . 9 1 1 A 28 28 ARG HA H 28 4.110 4.014 0.096 1
1 291 . 9 1 1 A 28 28 ARG CA C 28 59.249 59.553 -0.304 1
1 292 . 9 1 1 A 28 28 ARG CB C 28 29.962 29.912 0.050 1
1 295 . 9 1 1 A 28 28 ARG N N 28 121.433 118.505 2.928 1
1 296 . 9 1 1 A 29 29 LYS H H 29 7.660 7.386 0.274 1
1 297 . 9 1 1 A 29 29 LYS HA H 29 4.192 4.241 -0.049 1
1 306 . 9 1 1 A 29 29 LYS CA C 29 54.864 55.811 -0.947 1
1 307 . 9 1 1 A 29 29 LYS CB C 29 31.476 32.069 -0.593 1
1 311 . 9 1 1 A 29 29 LYS N N 29 115.942 116.258 -0.316 1
1 312 . 9 1 1 A 30 30 GLY H H 30 7.919 7.980 -0.061 1
1 313 . 9 1 1 A 30 30 GLY HA2 H 30 3.734 3.953 -0.219 1
1 314 . 9 1 1 A 30 30 GLY HA3 H 30 4.013 3.954 0.059 1
1 315 . 9 1 1 A 30 30 GLY CA C 30 45.497 45.722 -0.225 1
1 316 . 9 1 1 A 30 30 GLY N N 30 107.837 109.589 -1.752 1
1 317 . 9 1 1 A 31 31 ALA H H 31 7.830 7.954 -0.124 1
1 318 . 9 1 1 A 31 31 ALA HA H 31 4.446 4.390 0.056 1
1 322 . 9 1 1 A 31 31 ALA CA C 31 51.562 51.561 0.001 1
1 323 . 9 1 1 A 31 31 ALA CB C 31 19.964 20.182 -0.218 1
1 324 . 9 1 1 A 31 31 ALA N N 31 122.333 123.653 -1.320 1
1 325 . 9 1 1 A 32 32 GLU H H 32 8.322 8.835 -0.513 1
1 326 . 9 1 1 A 32 32 GLU HA H 32 4.173 4.582 -0.409 1
1 331 . 9 1 1 A 32 32 GLU CA C 32 55.621 56.492 -0.871 1
1 332 . 9 1 1 A 32 32 GLU CB C 32 29.734 30.986 -1.252 1
1 334 . 9 1 1 A 32 32 GLU N N 32 124.383 123.450 0.933 1
1 335 . 9 1 1 A 33 33 PHE H H 33 7.623 8.411 -0.788 1
1 336 . 9 1 1 A 33 33 PHE HA H 33 5.151 5.075 0.076 1
1 344 . 9 1 1 A 33 33 PHE CA C 33 55.106 56.082 -0.976 1
1 345 . 9 1 1 A 33 33 PHE CB C 33 41.937 41.578 0.359 1
1 346 . 9 1 1 A 33 33 PHE N N 33 116.953 118.082 -1.129 1
1 347 . 9 1 1 A 34 34 ASN H H 34 8.938 9.244 -0.306 1
1 348 . 9 1 1 A 34 34 ASN HA H 34 4.897 5.094 -0.197 1
1 353 . 9 1 1 A 34 34 ASN CA C 34 52.081 53.262 -1.181 1
1 354 . 9 1 1 A 34 34 ASN CB C 34 39.784 39.066 0.718 1
1 355 . 9 1 1 A 34 34 ASN N N 34 120.410 118.376 2.034 1
1 357 . 9 1 1 A 35 35 GLU H H 35 8.764 8.972 -0.208 1
1 358 . 9 1 1 A 35 35 GLU HA H 35 5.135 4.950 0.185 1
1 363 . 9 1 1 A 35 35 GLU CA C 35 54.519 55.979 -1.460 1
1 364 . 9 1 1 A 35 35 GLU CB C 35 31.306 30.732 0.574 1
1 366 . 9 1 1 A 35 35 GLU N N 35 126.769 125.315 1.454 1
1 367 . 9 1 1 A 36 36 ILE H H 36 8.975 8.669 0.306 1
1 368 . 9 1 1 A 36 36 ILE HA H 36 4.108 4.787 -0.679 1
1 378 . 9 1 1 A 36 36 ILE CA C 36 60.156 58.912 1.244 1
1 379 . 9 1 1 A 36 36 ILE CB C 36 40.382 41.712 -1.330 1
1 383 . 9 1 1 A 36 36 ILE N N 36 130.393 127.085 3.308 1
1 384 . 9 1 1 A 37 37 ASP H H 37 8.494 8.674 -0.180 1
1 385 . 9 1 1 A 37 37 ASP HA H 37 4.965 5.207 -0.242 1
1 388 . 9 1 1 A 37 37 ASP CA C 37 52.537 52.688 -0.151 1
1 389 . 9 1 1 A 37 37 ASP CB C 37 39.350 43.273 -3.923 1
1 390 . 9 1 1 A 37 37 ASP N N 37 125.910 124.560 1.350 1
1 391 . 9 1 1 A 38 38 ALA H H 38 8.764 8.073 0.691 1
1 392 . 9 1 1 A 38 38 ALA HA H 38 4.621 4.320 0.301 1
1 396 . 9 1 1 A 38 38 ALA CA C 38 51.729 52.813 -1.084 1
1 397 . 9 1 1 A 38 38 ALA CB C 38 20.588 20.908 -0.320 1
1 398 . 9 1 1 A 38 38 ALA N N 38 130.164 123.745 6.419 1
1 399 . 9 1 1 A 39 39 SER H H 39 8.668 8.220 0.448 1
1 400 . 9 1 1 A 39 39 SER HA H 39 4.469 4.080 0.389 1
1 403 . 9 1 1 A 39 39 SER CA C 39 59.342 61.235 -1.893 1
1 404 . 9 1 1 A 39 39 SER CB C 39 64.938 63.214 1.724 1
1 405 . 9 1 1 A 39 39 SER N N 39 111.397 113.768 -2.371 1
1 406 . 9 1 1 A 40 40 ALA H H 40 7.466 7.782 -0.316 1
1 407 . 9 1 1 A 40 40 ALA HA H 40 4.136 4.083 0.053 1
1 411 . 9 1 1 A 40 40 ALA CA C 40 55.000 55.040 -0.040 1
1 412 . 9 1 1 A 40 40 ALA CB C 40 20.463 18.879 1.584 1
1 413 . 9 1 1 A 40 40 ALA N N 40 124.335 122.040 2.295 1
1 414 . 9 1 1 A 41 41 THR H H 41 7.098 7.490 -0.392 1
1 415 . 9 1 1 A 41 41 THR HA H 41 4.978 4.873 0.105 1
1 420 . 9 1 1 A 41 41 THR CA C 41 57.841 58.745 -0.904 1
1 421 . 9 1 1 A 41 41 THR CB C 41 70.742 70.687 0.055 1
1 423 . 9 1 1 A 41 41 THR N N 41 105.166 107.641 -2.475 1
1 424 . 9 1 1 A 42 42 PRO HA H 42 4.299 4.345 -0.046 1
1 431 . 9 1 1 A 42 42 PRO CA C 42 64.586 65.347 -0.761 1
1 432 . 9 1 1 A 42 42 PRO CB C 42 31.963 31.946 0.017 1
1 435 . 9 1 1 A 43 43 GLU H H 43 8.997 8.107 0.890 1
1 436 . 9 1 1 A 43 43 GLU HA H 43 4.052 4.105 -0.053 1
1 441 . 9 1 1 A 43 43 GLU CA C 43 60.694 59.682 1.012 1
1 442 . 9 1 1 A 43 43 GLU CB C 43 28.709 29.646 -0.937 1
1 444 . 9 1 1 A 43 43 GLU N N 43 118.804 118.226 0.578 1
1 445 . 9 1 1 A 44 44 LEU H H 44 7.882 8.434 -0.552 1
1 446 . 9 1 1 A 44 44 LEU HA H 44 4.285 4.067 0.218 1
1 456 . 9 1 1 A 44 44 LEU CA C 44 57.573 57.928 -0.355 1
1 457 . 9 1 1 A 44 44 LEU CB C 44 42.548 41.484 1.064 1
1 461 . 9 1 1 A 44 44 LEU N N 44 122.381 120.161 2.220 1
1 462 . 9 1 1 A 45 45 ARG H H 45 7.709 7.685 0.024 1
1 463 . 9 1 1 A 45 45 ARG HA H 45 4.026 4.138 -0.112 1
1 470 . 9 1 1 A 45 45 ARG CA C 45 60.055 58.967 1.088 1
1 471 . 9 1 1 A 45 45 ARG CB C 45 29.943 29.582 0.361 1
1 474 . 9 1 1 A 45 45 ARG N N 45 122.487 121.039 1.448 1
1 475 . 9 1 1 A 46 46 ALA H H 46 8.144 8.213 -0.069 1
1 476 . 9 1 1 A 46 46 ALA HA H 46 4.074 4.077 -0.003 1
1 480 . 9 1 1 A 46 46 ALA CA C 46 54.865 55.475 -0.610 1
1 481 . 9 1 1 A 46 46 ALA CB C 46 17.777 18.334 -0.557 1
1 482 . 9 1 1 A 46 46 ALA N N 46 121.132 122.402 -1.270 1
1 483 . 9 1 1 A 47 47 GLU H H 47 7.902 8.133 -0.231 1
1 484 . 9 1 1 A 47 47 GLU HA H 47 3.995 4.088 -0.093 1
1 489 . 9 1 1 A 47 47 GLU CA C 47 59.524 59.377 0.147 1
1 490 . 9 1 1 A 47 47 GLU CB C 47 29.915 29.038 0.877 1
1 492 . 9 1 1 A 47 47 GLU N N 47 121.104 116.763 4.341 1
1 493 . 9 1 1 A 48 48 MET H H 48 7.984 7.662 0.322 1
1 494 . 9 1 1 A 48 48 MET HA H 48 2.786 4.364 -1.578 1
1 499 . 9 1 1 A 48 48 MET CA C 48 59.662 58.267 1.395 1
1 500 . 9 1 1 A 48 48 MET CB C 48 33.701 32.211 1.490 1
1 502 . 9 1 1 A 48 48 MET N N 48 118.769 120.369 -1.600 1
1 503 . 9 1 1 A 49 49 GLN H H 49 8.209 8.609 -0.400 1
1 504 . 9 1 1 A 49 49 GLN HA H 49 4.299 4.222 0.077 1
1 511 . 9 1 1 A 49 49 GLN CA C 49 58.669 58.142 0.527 1
1 512 . 9 1 1 A 49 49 GLN CB C 49 28.742 27.948 0.794 1
1 514 . 9 1 1 A 49 49 GLN N N 49 122.155 117.760 4.395 1
1 516 . 9 1 1 A 50 50 GLU H H 50 8.671 7.970 0.701 1
1 517 . 9 1 1 A 50 50 GLU HA H 50 3.904 4.114 -0.210 1
1 522 . 9 1 1 A 50 50 GLU CA C 50 59.156 59.139 0.017 1
1 523 . 9 1 1 A 50 50 GLU CB C 50 29.504 29.291 0.213 1
1 525 . 9 1 1 A 50 50 GLU N N 50 122.081 120.378 1.703 1
1 526 . 9 1 1 A 51 51 ARG H H 51 8.244 7.849 0.395 1
1 527 . 9 1 1 A 51 51 ARG HA H 51 3.993 4.114 -0.121 1
1 534 . 9 1 1 A 51 51 ARG CA C 51 58.503 59.433 -0.930 1
1 535 . 9 1 1 A 51 51 ARG CB C 51 31.363 30.141 1.222 1
1 538 . 9 1 1 A 51 51 ARG N N 51 115.848 119.638 -3.790 1
1 539 . 9 1 1 A 52 52 SER H H 52 7.994 7.704 0.290 1
1 540 . 9 1 1 A 52 52 SER HA H 52 3.674 4.290 -0.616 1
1 543 . 9 1 1 A 52 52 SER CA C 52 58.897 58.839 0.058 1
1 544 . 9 1 1 A 52 52 SER CB C 52 66.908 63.469 3.439 1
1 545 . 9 1 1 A 52 52 SER N N 52 109.721 111.414 -1.693 1
1 546 . 9 1 1 A 53 53 GLY H H 53 8.205 8.943 -0.738 1
1 547 . 9 1 1 A 53 53 GLY HA2 H 53 3.815 3.844 -0.029 1
1 548 . 9 1 1 A 53 53 GLY HA3 H 53 4.063 3.874 0.189 1
1 549 . 9 1 1 A 53 53 GLY CA C 53 46.182 45.587 0.595 1
1 550 . 9 1 1 A 53 53 GLY N N 53 112.716 109.025 3.691 1
1 551 . 9 1 1 A 54 54 ARG H H 54 8.323 7.750 0.573 1
1 552 . 9 1 1 A 54 54 ARG HA H 54 4.595 4.808 -0.213 1
1 559 . 9 1 1 A 54 54 ARG CA C 54 54.426 53.934 0.492 1
1 560 . 9 1 1 A 54 54 ARG CB C 54 35.418 33.300 2.118 1
1 563 . 9 1 1 A 54 54 ARG N N 54 119.629 120.035 -0.406 1
1 564 . 9 1 1 A 55 55 ASN H H 55 8.184 8.800 -0.616 1
1 565 . 9 1 1 A 55 55 ASN HA H 55 4.692 4.545 0.147 1
1 570 . 9 1 1 A 55 55 ASN CA C 55 51.458 56.164 -4.706 1
1 571 . 9 1 1 A 55 55 ASN N N 55 112.763 119.193 -6.430 1
1 573 . 9 1 1 A 56 56 THR H H 56 6.730 7.703 -0.973 1
1 574 . 9 1 1 A 56 56 THR HA H 56 4.309 4.954 -0.645 1
1 579 . 9 1 1 A 56 56 THR CA C 56 59.120 61.464 -2.344 1
1 580 . 9 1 1 A 56 56 THR CB C 56 70.754 72.121 -1.367 1
1 582 . 9 1 1 A 56 56 THR N N 56 107.946 110.922 -2.976 1
1 583 . 9 1 1 A 57 57 PHE H H 57 8.568 9.053 -0.485 1
1 584 . 9 1 1 A 57 57 PHE HA H 57 4.641 5.203 -0.562 1
1 592 . 9 1 1 A 57 57 PHE CA C 57 54.923 55.387 -0.464 1
1 593 . 9 1 1 A 57 57 PHE CB C 57 41.272 40.598 0.674 1
1 594 . 9 1 1 A 57 57 PHE N N 57 117.566 121.882 -4.316 1
1 595 . 9 1 1 A 58 58 PRO HA H 58 5.604 4.602 1.002 1
1 602 . 9 1 1 A 58 58 PRO CA C 58 62.749 62.666 0.083 1
1 603 . 9 1 1 A 58 58 PRO CB C 58 36.563 31.675 4.888 1
1 606 . 9 1 1 A 59 59 GLN H H 59 7.926 8.506 -0.580 1
1 607 . 9 1 1 A 59 59 GLN HA H 59 4.813 4.734 0.079 1
1 614 . 9 1 1 A 59 59 GLN CA C 59 55.111 55.097 0.014 1
1 615 . 9 1 1 A 59 59 GLN CB C 59 31.737 30.006 1.731 1
1 617 . 9 1 1 A 59 59 GLN N N 59 112.301 121.333 -9.032 1
1 619 . 9 1 1 A 60 60 ILE H H 60 8.936 8.976 -0.040 1
1 620 . 9 1 1 A 60 60 ILE HA H 60 4.933 4.198 0.735 1
1 630 . 9 1 1 A 60 60 ILE CA C 60 61.288 59.978 1.310 1
1 631 . 9 1 1 A 60 60 ILE CB C 60 40.912 38.538 2.374 1
1 635 . 9 1 1 A 60 60 ILE N N 60 123.133 124.266 -1.133 1
1 636 . 9 1 1 A 61 61 PHE H H 61 9.629 8.892 0.737 1
1 637 . 9 1 1 A 61 61 PHE HA H 61 5.354 5.201 0.153 1
1 645 . 9 1 1 A 61 61 PHE CA C 61 56.630 57.013 -0.383 1
1 646 . 9 1 1 A 61 61 PHE CB C 61 41.883 40.345 1.538 1
1 647 . 9 1 1 A 61 61 PHE N N 61 128.347 126.694 1.653 1
1 648 . 9 1 1 A 62 62 ILE H H 62 9.070 8.836 0.234 1
1 649 . 9 1 1 A 62 62 ILE HA H 62 4.587 4.566 0.021 1
1 659 . 9 1 1 A 62 62 ILE CA C 62 60.903 60.147 0.756 1
1 660 . 9 1 1 A 62 62 ILE CB C 62 39.789 39.556 0.233 1
1 664 . 9 1 1 A 62 62 ILE N N 62 122.709 123.754 -1.045 1
1 665 . 9 1 1 A 63 63 GLY H H 63 9.303 8.622 0.681 1
1 666 . 9 1 1 A 63 63 GLY HA2 H 63 3.889 3.882 0.007 1
1 667 . 9 1 1 A 63 63 GLY HA3 H 63 4.081 3.883 0.198 1
1 668 . 9 1 1 A 63 63 GLY CA C 63 47.216 47.352 -0.136 1
1 669 . 9 1 1 A 63 63 GLY N N 63 116.351 118.046 -1.695 1
1 670 . 9 1 1 A 64 64 SER H H 64 9.242 8.206 1.036 1
1 671 . 9 1 1 A 64 64 SER HA H 64 4.525 4.624 -0.099 1
1 674 . 9 1 1 A 64 64 SER CA C 64 59.046 57.566 1.480 1
1 675 . 9 1 1 A 64 64 SER CB C 64 63.900 63.953 -0.053 1
1 676 . 9 1 1 A 64 64 SER N N 64 122.307 121.251 1.056 1
1 677 . 9 1 1 A 65 65 VAL H H 65 8.475 7.609 0.866 1
1 678 . 9 1 1 A 65 65 VAL HA H 65 4.013 4.778 -0.765 1
1 686 . 9 1 1 A 65 65 VAL CA C 65 62.737 60.442 2.295 1
1 687 . 9 1 1 A 65 65 VAL CB C 65 33.308 35.775 -2.467 1
1 690 . 9 1 1 A 65 65 VAL N N 65 124.659 120.769 3.890 1
1 691 . 9 1 1 A 66 66 HIS H H 66 8.968 8.991 -0.023 1
1 692 . 9 1 1 A 66 66 HIS HA H 66 4.337 5.323 -0.986 1
1 698 . 9 1 1 A 66 66 HIS CA C 66 54.409 54.620 -0.211 1
1 699 . 9 1 1 A 66 66 HIS CB C 66 31.099 30.468 0.631 1
1 700 . 9 1 1 A 66 66 HIS N N 66 128.172 126.394 1.778 1
1 701 . 9 1 1 A 67 67 VAL H H 67 8.148 8.888 -0.740 1
1 702 . 9 1 1 A 67 67 VAL HA H 67 3.329 3.663 -0.334 1
1 710 . 9 1 1 A 67 67 VAL CA C 67 64.129 65.542 -1.413 1
1 711 . 9 1 1 A 67 67 VAL CB C 67 32.554 32.244 0.310 1
1 714 . 9 1 1 A 67 67 VAL N N 67 130.509 127.446 3.063 1
1 715 . 9 1 1 A 68 68 GLY H H 68 6.365 7.458 -1.093 1
1 716 . 9 1 1 A 68 68 GLY HA2 H 68 3.003 4.045 -1.042 1
1 717 . 9 1 1 A 68 68 GLY HA3 H 68 4.513 4.149 0.364 1
1 718 . 9 1 1 A 68 68 GLY CA C 68 43.722 46.103 -2.381 1
1 719 . 9 1 1 A 68 68 GLY N N 68 102.729 105.786 -3.057 1
1 720 . 9 1 1 A 69 69 GLY H H 69 9.087 8.475 0.612 1
1 721 . 9 1 1 A 69 69 GLY HA2 H 69 3.752 4.181 -0.429 1
1 722 . 9 1 1 A 69 69 GLY HA3 H 69 4.633 4.472 0.161 1
1 723 . 9 1 1 A 69 69 GLY CA C 69 43.851 45.630 -1.779 1
1 724 . 9 1 1 A 69 69 GLY N N 69 110.274 110.616 -0.342 1
1 725 . 9 1 1 A 70 70 CYS H H 70 8.467 8.735 -0.268 1
1 726 . 9 1 1 A 70 70 CYS HA H 70 3.806 4.169 -0.363 1
1 729 . 9 1 1 A 70 70 CYS CA C 70 63.366 61.541 1.825 1
1 730 . 9 1 1 A 70 70 CYS CB C 70 27.642 27.005 0.637 1
1 731 . 9 1 1 A 70 70 CYS N N 70 118.787 118.090 0.697 1
1 732 . 9 1 1 A 71 71 ASP HA H 71 4.398 4.268 0.130 1
1 735 . 9 1 1 A 71 71 ASP CA C 71 57.405 57.278 0.127 1
1 736 . 9 1 1 A 71 71 ASP CB C 71 39.058 41.236 -2.178 1
1 737 . 9 1 1 A 72 72 ASP H H 72 7.266 8.288 -1.022 1
1 738 . 9 1 1 A 72 72 ASP HA H 72 4.285 4.473 -0.188 1
1 741 . 9 1 1 A 72 72 ASP CA C 72 57.322 57.459 -0.137 1
1 742 . 9 1 1 A 72 72 ASP CB C 72 41.553 40.490 1.063 1
1 743 . 9 1 1 A 72 72 ASP N N 72 119.650 119.187 0.463 1
1 744 . 9 1 1 A 73 73 LEU H H 73 7.755 8.364 -0.609 1
1 745 . 9 1 1 A 73 73 LEU HA H 73 3.736 4.078 -0.342 1
1 755 . 9 1 1 A 73 73 LEU CA C 73 58.272 57.883 0.389 1
1 756 . 9 1 1 A 73 73 LEU CB C 73 41.995 42.044 -0.049 1
1 760 . 9 1 1 A 73 73 LEU N N 73 121.526 121.382 0.144 1
1 761 . 9 1 1 A 74 74 TYR H H 74 8.244 8.275 -0.031 1
1 762 . 9 1 1 A 74 74 TYR HA H 74 3.697 4.048 -0.351 1
1 769 . 9 1 1 A 74 74 TYR CA C 74 62.802 61.710 1.092 1
1 770 . 9 1 1 A 74 74 TYR CB C 74 37.819 37.771 0.048 1
1 771 . 9 1 1 A 74 74 TYR N N 74 116.552 118.190 -1.638 1
1 772 . 9 1 1 A 75 75 ALA H H 75 8.169 8.264 -0.095 1
1 773 . 9 1 1 A 75 75 ALA HA H 75 4.286 4.157 0.129 1
1 777 . 9 1 1 A 75 75 ALA CA C 75 55.465 55.004 0.461 1
1 778 . 9 1 1 A 75 75 ALA CB C 75 17.722 18.587 -0.865 1
1 779 . 9 1 1 A 75 75 ALA N N 75 122.825 123.159 -0.334 1
1 780 . 9 1 1 A 76 76 LEU H H 76 7.353 8.303 -0.950 1
1 781 . 9 1 1 A 76 76 LEU HA H 76 4.003 4.058 -0.055 1
1 791 . 9 1 1 A 76 76 LEU CA C 76 57.687 57.773 -0.086 1
1 792 . 9 1 1 A 76 76 LEU CB C 76 42.753 41.431 1.322 1
1 796 . 9 1 1 A 76 76 LEU N N 76 116.756 120.465 -3.709 1
1 797 . 9 1 1 A 77 77 GLU H H 77 7.420 8.400 -0.980 1
1 798 . 9 1 1 A 77 77 GLU HA H 77 4.575 4.042 0.533 1
1 803 . 9 1 1 A 77 77 GLU CA C 77 57.962 58.555 -0.593 1
1 804 . 9 1 1 A 77 77 GLU CB C 77 28.292 28.432 -0.140 1
1 806 . 9 1 1 A 77 77 GLU N N 77 121.356 117.768 3.588 1
1 807 . 9 1 1 A 78 78 ASP H H 78 8.637 7.668 0.969 1
1 808 . 9 1 1 A 78 78 ASP HA H 78 4.399 4.385 0.014 1
1 811 . 9 1 1 A 78 78 ASP CA C 78 57.569 56.503 1.066 1
1 812 . 9 1 1 A 78 78 ASP CB C 78 40.715 40.916 -0.201 1
1 813 . 9 1 1 A 78 78 ASP N N 78 123.396 120.683 2.713 1
1 814 . 9 1 1 A 79 79 GLU H H 79 7.773 8.014 -0.241 1
1 815 . 9 1 1 A 79 79 GLU HA H 79 4.283 4.391 -0.108 1
1 820 . 9 1 1 A 79 79 GLU CA C 79 56.357 56.265 0.092 1
1 821 . 9 1 1 A 79 79 GLU CB C 79 30.855 30.896 -0.041 1
1 823 . 9 1 1 A 79 79 GLU N N 79 115.336 116.269 -0.933 1
1 824 . 9 1 1 A 80 80 GLY H H 80 8.050 7.766 0.284 1
1 825 . 9 1 1 A 80 80 GLY HA2 H 80 4.031 3.980 0.051 1
1 826 . 9 1 1 A 80 80 GLY HA3 H 80 4.031 3.982 0.049 1
1 827 . 9 1 1 A 80 80 GLY CA C 80 46.314 46.053 0.261 1
1 828 . 9 1 1 A 80 80 GLY N N 80 108.957 108.430 0.527 1
1 829 . 9 1 1 A 81 81 LYS H H 81 8.188 7.638 0.550 1
1 830 . 9 1 1 A 81 81 LYS HA H 81 4.415 4.349 0.066 1
1 839 . 9 1 1 A 81 81 LYS CA C 81 56.716 56.954 -0.238 1
1 840 . 9 1 1 A 81 81 LYS CB C 81 35.935 32.839 3.096 1
1 844 . 9 1 1 A 81 81 LYS N N 81 116.879 118.992 -2.113 1
1 845 . 9 1 1 A 82 82 LEU H H 82 7.499 7.721 -0.222 1
1 846 . 9 1 1 A 82 82 LEU HA H 82 3.977 3.999 -0.022 1
1 856 . 9 1 1 A 82 82 LEU CA C 82 57.480 58.006 -0.526 1
1 857 . 9 1 1 A 82 82 LEU CB C 82 40.489 41.596 -1.107 1
1 861 . 9 1 1 A 82 82 LEU N N 82 122.734 120.384 2.350 1
1 862 . 9 1 1 A 83 83 ASP H H 83 8.625 8.277 0.348 1
1 863 . 9 1 1 A 83 83 ASP HA H 83 4.248 4.262 -0.014 1
1 866 . 9 1 1 A 83 83 ASP CA C 83 58.680 58.253 0.427 1
1 867 . 9 1 1 A 83 83 ASP CB C 83 40.149 41.732 -1.583 1
1 868 . 9 1 1 A 83 83 ASP N N 83 119.728 120.734 -1.006 1
1 869 . 9 1 1 A 84 84 SER H H 84 8.426 7.805 0.621 1
1 870 . 9 1 1 A 84 84 SER HA H 84 4.219 4.301 -0.082 1
1 873 . 9 1 1 A 84 84 SER CA C 84 61.473 61.818 -0.345 1
1 874 . 9 1 1 A 84 84 SER CB C 84 62.589 63.114 -0.525 1
1 875 . 9 1 1 A 84 84 SER N N 84 113.454 115.699 -2.245 1
1 876 . 9 1 1 A 85 85 LEU H H 85 7.551 8.224 -0.673 1
1 877 . 9 1 1 A 85 85 LEU HA H 85 4.319 4.084 0.235 1
1 887 . 9 1 1 A 85 85 LEU CA C 85 58.355 57.910 0.445 1
1 888 . 9 1 1 A 85 85 LEU CB C 85 41.588 41.808 -0.220 1
1 892 . 9 1 1 A 85 85 LEU N N 85 126.500 121.853 4.647 1
1 893 . 9 1 1 A 86 86 LEU H H 86 8.382 7.897 0.485 1
1 894 . 9 1 1 A 86 86 LEU HA H 86 3.827 4.083 -0.256 1
1 904 . 9 1 1 A 86 86 LEU CA C 86 57.826 57.629 0.197 1
1 905 . 9 1 1 A 86 86 LEU CB C 86 41.840 41.419 0.421 1
1 909 . 9 1 1 A 86 86 LEU N N 86 117.962 116.933 1.029 1
1 910 . 9 1 1 A 87 87 LYS H H 87 7.522 7.933 -0.411 1
1 911 . 9 1 1 A 87 87 LYS HA H 87 4.331 4.099 0.232 1
1 920 . 9 1 1 A 87 87 LYS CA C 87 58.325 59.364 -1.039 1
1 921 . 9 1 1 A 87 87 LYS CB C 87 34.043 32.877 1.166 1
1 925 . 9 1 1 A 87 87 LYS N N 87 114.198 118.698 -4.500 1
1 926 . 9 1 1 A 88 88 THR H H 88 8.165 8.296 -0.131 1
1 927 . 9 1 1 A 88 88 THR HA H 88 4.507 4.426 0.081 1
1 932 . 9 1 1 A 88 88 THR CA C 88 62.385 62.587 -0.202 1
1 933 . 9 1 1 A 88 88 THR CB C 88 72.525 70.518 2.007 1
1 935 . 9 1 1 A 88 88 THR N N 88 106.021 108.198 -2.177 1
1 936 . 9 1 1 A 89 89 GLY H H 89 9.139 8.697 0.442 1
1 937 . 9 1 1 A 89 89 GLY HA2 H 89 3.612 3.925 -0.313 1
1 938 . 9 1 1 A 89 89 GLY HA3 H 89 4.204 3.931 0.273 1
1 939 . 9 1 1 A 89 89 GLY CA C 89 46.770 45.654 1.116 1
1 940 . 9 1 1 A 89 89 GLY N N 89 112.926 112.084 0.842 1
1 941 . 9 1 1 A 90 90 LYS H H 90 7.933 7.600 0.333 1
1 942 . 9 1 1 A 90 90 LYS HA H 90 4.459 4.936 -0.477 1
1 951 . 9 1 1 A 90 90 LYS CA C 90 54.576 54.517 0.059 1
1 952 . 9 1 1 A 90 90 LYS CB C 90 35.788 36.697 -0.909 1
1 956 . 9 1 1 A 90 90 LYS N N 90 117.810 119.786 -1.976 1
1 957 . 9 1 1 A 91 91 LEU H H 91 8.487 8.500 -0.013 1
1 958 . 9 1 1 A 91 91 LEU HA H 91 4.423 5.092 -0.669 1
1 968 . 9 1 1 A 91 91 LEU CA C 91 54.491 52.946 1.545 1
1 969 . 9 1 1 A 91 91 LEU CB C 91 43.083 44.248 -1.165 1
1 973 . 9 1 1 A 91 91 LEU N N 91 123.364 119.237 4.127 1
1 1 . 10 1 1 A 2 2 PRO HA H 2 4.444 4.172 0.272 1
1 8 . 10 1 1 A 2 2 PRO CA C 2 63.468 63.597 -0.129 1
1 9 . 10 1 1 A 2 2 PRO CB C 2 32.153 31.491 0.662 1
1 12 . 10 1 1 A 3 3 GLY H H 3 8.672 8.843 -0.171 1
1 13 . 10 1 1 A 3 3 GLY HA2 H 3 4.759 3.848 0.911 1
1 14 . 10 1 1 A 3 3 GLY HA3 H 3 4.759 3.849 0.910 1
1 15 . 10 1 1 A 3 3 GLY CA C 3 45.323 46.917 -1.594 1
1 16 . 10 1 1 A 3 3 GLY N N 3 110.465 111.760 -1.295 1
1 17 . 10 1 1 A 4 4 SER H H 4 8.201 8.283 -0.082 1
1 18 . 10 1 1 A 4 4 SER HA H 4 4.454 4.096 0.358 1
1 21 . 10 1 1 A 4 4 SER CA C 4 58.370 59.244 -0.874 1
1 22 . 10 1 1 A 4 4 SER CB C 4 64.049 61.956 2.093 1
1 23 . 10 1 1 A 4 4 SER N N 4 115.747 117.717 -1.970 1
1 24 . 10 1 1 A 5 5 MET H H 5 8.315 7.843 0.472 1
1 25 . 10 1 1 A 5 5 MET HA H 5 4.675 5.051 -0.376 1
1 30 . 10 1 1 A 5 5 MET CA C 5 55.466 54.322 1.144 1
1 31 . 10 1 1 A 5 5 MET CB C 5 34.462 35.641 -1.179 1
1 33 . 10 1 1 A 5 5 MET N N 5 121.679 118.571 3.108 1
1 34 . 10 1 1 A 6 6 VAL H H 6 8.169 8.755 -0.586 1
1 35 . 10 1 1 A 6 6 VAL HA H 6 4.141 4.806 -0.665 1
1 43 . 10 1 1 A 6 6 VAL CA C 6 61.395 59.091 2.304 1
1 44 . 10 1 1 A 6 6 VAL CB C 6 32.669 35.453 -2.784 1
1 47 . 10 1 1 A 6 6 VAL N N 6 118.330 117.291 1.039 1
1 48 . 10 1 1 A 7 7 ASP H H 7 8.335 8.723 -0.388 1
1 49 . 10 1 1 A 7 7 ASP HA H 7 4.526 4.781 -0.255 1
1 52 . 10 1 1 A 7 7 ASP CA C 7 55.023 54.740 0.283 1
1 53 . 10 1 1 A 7 7 ASP CB C 7 41.455 41.847 -0.392 1
1 54 . 10 1 1 A 7 7 ASP N N 7 122.032 123.625 -1.593 1
1 55 . 10 1 1 A 8 8 VAL H H 8 8.662 8.827 -0.165 1
1 56 . 10 1 1 A 8 8 VAL HA H 8 4.947 5.085 -0.138 1
1 64 . 10 1 1 A 8 8 VAL CA C 8 61.415 61.417 -0.002 1
1 65 . 10 1 1 A 8 8 VAL CB C 8 33.703 33.749 -0.046 1
1 68 . 10 1 1 A 8 8 VAL N N 8 124.216 126.110 -1.894 1
1 69 . 10 1 1 A 9 9 ILE H H 9 9.311 9.525 -0.214 1
1 70 . 10 1 1 A 9 9 ILE HA H 9 4.963 5.061 -0.098 1
1 80 . 10 1 1 A 9 9 ILE CA C 9 59.648 59.502 0.146 1
1 81 . 10 1 1 A 9 9 ILE CB C 9 41.374 40.202 1.172 1
1 85 . 10 1 1 A 9 9 ILE N N 9 129.869 128.203 1.666 1
1 86 . 10 1 1 A 10 10 ILE H H 10 8.720 9.196 -0.476 1
1 87 . 10 1 1 A 10 10 ILE HA H 10 5.442 5.436 0.006 1
1 97 . 10 1 1 A 10 10 ILE CA C 10 58.153 58.444 -0.291 1
1 98 . 10 1 1 A 10 10 ILE CB C 10 41.947 41.094 0.853 1
1 102 . 10 1 1 A 10 10 ILE N N 10 123.598 129.219 -5.621 1
1 103 . 10 1 1 A 11 11 TYR H H 11 9.340 8.840 0.500 1
1 104 . 10 1 1 A 11 11 TYR HA H 11 5.667 5.730 -0.063 1
1 111 . 10 1 1 A 11 11 TYR CA C 11 57.300 56.259 1.041 1
1 112 . 10 1 1 A 11 11 TYR CB C 11 40.550 40.742 -0.192 1
1 113 . 10 1 1 A 11 11 TYR N N 11 128.888 127.911 0.977 1
1 114 . 10 1 1 A 12 12 THR H H 12 9.374 8.766 0.608 1
1 115 . 10 1 1 A 12 12 THR HA H 12 5.277 4.872 0.405 1
1 120 . 10 1 1 A 12 12 THR CA C 12 59.567 59.966 -0.399 1
1 121 . 10 1 1 A 12 12 THR CB C 12 72.183 71.960 0.223 1
1 123 . 10 1 1 A 12 12 THR N N 12 112.083 117.466 -5.383 1
1 124 . 10 1 1 A 13 13 ARG H H 13 7.379 8.589 -1.210 1
1 125 . 10 1 1 A 13 13 ARG HA H 13 4.779 4.820 -0.041 1
1 132 . 10 1 1 A 13 13 ARG CA C 13 52.961 53.758 -0.797 1
1 133 . 10 1 1 A 13 13 ARG CB C 13 31.374 31.550 -0.176 1
1 136 . 10 1 1 A 13 13 ARG N N 13 113.131 124.425 -11.294 1
1 137 . 10 1 1 A 14 14 PRO HA H 14 4.276 4.272 0.004 1
1 144 . 10 1 1 A 14 14 PRO CA C 14 63.498 63.754 -0.256 1
1 145 . 10 1 1 A 14 14 PRO CB C 14 32.015 31.330 0.685 1
1 148 . 10 1 1 A 15 15 GLY H H 15 8.672 8.865 -0.193 1
1 149 . 10 1 1 A 15 15 GLY HA2 H 15 3.946 3.857 0.089 1
1 150 . 10 1 1 A 15 15 GLY HA3 H 15 3.946 3.863 0.083 1
1 151 . 10 1 1 A 15 15 GLY N N 15 110.274 112.366 -2.092 1
1 152 . 10 1 1 A 16 16 CYS H H 16 6.985 7.488 -0.503 1
1 153 . 10 1 1 A 16 16 CYS HA H 16 4.769 4.640 0.129 1
1 156 . 10 1 1 A 16 16 CYS CA C 16 56.315 56.327 -0.012 1
1 157 . 10 1 1 A 16 16 CYS CB C 16 31.724 28.584 3.140 1
1 158 . 10 1 1 A 16 16 CYS N N 16 124.357 119.771 4.586 1
1 159 . 10 1 1 A 17 17 PRO HA H 17 4.417 4.247 0.170 1
1 166 . 10 1 1 A 17 17 PRO CA C 17 64.516 65.544 -1.028 1
1 167 . 10 1 1 A 17 17 PRO CB C 17 32.205 31.508 0.697 1
1 170 . 10 1 1 A 18 18 TYR H H 18 9.273 7.319 1.954 1
1 171 . 10 1 1 A 18 18 TYR HA H 18 4.375 4.227 0.148 1
1 178 . 10 1 1 A 18 18 TYR CA C 18 61.227 61.398 -0.171 1
1 179 . 10 1 1 A 18 18 TYR CB C 18 38.025 37.609 0.416 1
1 180 . 10 1 1 A 18 18 TYR N N 18 127.619 117.607 10.012 1
1 181 . 10 1 1 A 19 19 CYS H H 19 9.854 8.263 1.591 1
1 182 . 10 1 1 A 19 19 CYS HA H 19 3.870 4.087 -0.217 1
1 185 . 10 1 1 A 19 19 CYS CA C 19 64.810 63.217 1.593 1
1 186 . 10 1 1 A 19 19 CYS CB C 19 29.498 27.378 2.120 1
1 187 . 10 1 1 A 19 19 CYS N N 19 128.016 118.907 9.109 1
1 188 . 10 1 1 A 20 20 ALA H H 20 7.948 8.071 -0.123 1
1 189 . 10 1 1 A 20 20 ALA HA H 20 3.995 3.975 0.020 1
1 193 . 10 1 1 A 20 20 ALA CA C 20 55.804 55.387 0.417 1
1 194 . 10 1 1 A 20 20 ALA CB C 20 18.201 18.451 -0.250 1
1 195 . 10 1 1 A 20 20 ALA N N 20 121.373 122.359 -0.986 1
1 196 . 10 1 1 A 21 21 ARG H H 21 8.064 8.049 0.015 1
1 197 . 10 1 1 A 21 21 ARG HA H 21 4.159 4.093 0.066 1
1 204 . 10 1 1 A 21 21 ARG CA C 21 59.500 59.784 -0.284 1
1 205 . 10 1 1 A 21 21 ARG CB C 21 30.535 30.215 0.320 1
1 208 . 10 1 1 A 21 21 ARG N N 21 119.886 117.871 2.015 1
1 209 . 10 1 1 A 22 22 ALA H H 22 8.342 7.737 0.605 1
1 210 . 10 1 1 A 22 22 ALA HA H 22 4.174 4.169 0.005 1
1 214 . 10 1 1 A 22 22 ALA CA C 22 55.658 55.355 0.303 1
1 215 . 10 1 1 A 22 22 ALA CB C 22 19.485 18.267 1.218 1
1 216 . 10 1 1 A 22 22 ALA N N 22 125.852 121.670 4.182 1
1 217 . 10 1 1 A 23 23 LYS H H 23 7.968 8.144 -0.176 1
1 218 . 10 1 1 A 23 23 LYS HA H 23 3.243 3.843 -0.600 1
1 227 . 10 1 1 A 23 23 LYS CA C 23 60.699 59.281 1.418 1
1 228 . 10 1 1 A 23 23 LYS CB C 23 31.640 32.390 -0.750 1
1 232 . 10 1 1 A 23 23 LYS N N 23 116.539 116.993 -0.454 1
1 233 . 10 1 1 A 24 24 ALA H H 24 8.027 8.081 -0.054 1
1 234 . 10 1 1 A 24 24 ALA HA H 24 4.152 4.173 -0.021 1
1 238 . 10 1 1 A 24 24 ALA CA C 24 55.067 54.997 0.070 1
1 239 . 10 1 1 A 24 24 ALA CB C 24 18.039 18.005 0.034 1
1 240 . 10 1 1 A 24 24 ALA N N 24 120.099 122.220 -2.121 1
1 241 . 10 1 1 A 25 25 LEU H H 25 7.184 8.269 -1.085 1
1 242 . 10 1 1 A 25 25 LEU HA H 25 4.089 4.110 -0.021 1
1 252 . 10 1 1 A 25 25 LEU CA C 25 57.761 58.336 -0.575 1
1 253 . 10 1 1 A 25 25 LEU CB C 25 40.444 41.560 -1.116 1
1 257 . 10 1 1 A 25 25 LEU N N 25 119.676 119.429 0.247 1
1 258 . 10 1 1 A 26 26 LEU H H 26 7.477 8.319 -0.842 1
1 259 . 10 1 1 A 26 26 LEU HA H 26 3.701 3.940 -0.239 1
1 269 . 10 1 1 A 26 26 LEU CA C 26 58.523 58.218 0.305 1
1 270 . 10 1 1 A 26 26 LEU CB C 26 41.105 41.743 -0.638 1
1 274 . 10 1 1 A 26 26 LEU N N 26 117.225 118.753 -1.528 1
1 275 . 10 1 1 A 27 27 ALA H H 27 8.657 8.859 -0.202 1
1 276 . 10 1 1 A 27 27 ALA HA H 27 4.368 3.957 0.411 1
1 280 . 10 1 1 A 27 27 ALA CA C 27 55.066 55.294 -0.228 1
1 281 . 10 1 1 A 27 27 ALA CB C 27 18.137 18.303 -0.166 1
1 282 . 10 1 1 A 27 27 ALA N N 27 119.692 121.154 -1.462 1
1 283 . 10 1 1 A 28 28 ARG H H 28 8.048 8.124 -0.076 1
1 284 . 10 1 1 A 28 28 ARG HA H 28 4.110 4.080 0.030 1
1 291 . 10 1 1 A 28 28 ARG CA C 28 59.249 59.292 -0.043 1
1 292 . 10 1 1 A 28 28 ARG CB C 28 29.962 29.948 0.014 1
1 295 . 10 1 1 A 28 28 ARG N N 28 121.433 118.402 3.031 1
1 296 . 10 1 1 A 29 29 LYS H H 29 7.660 7.448 0.212 1
1 297 . 10 1 1 A 29 29 LYS HA H 29 4.192 4.256 -0.064 1
1 306 . 10 1 1 A 29 29 LYS CA C 29 54.864 55.891 -1.027 1
1 307 . 10 1 1 A 29 29 LYS CB C 29 31.476 32.729 -1.253 1
1 311 . 10 1 1 A 29 29 LYS N N 29 115.942 115.839 0.103 1
1 312 . 10 1 1 A 30 30 GLY H H 30 7.919 8.134 -0.215 1
1 313 . 10 1 1 A 30 30 GLY HA2 H 30 3.734 3.994 -0.260 1
1 314 . 10 1 1 A 30 30 GLY HA3 H 30 4.013 4.001 0.012 1
1 315 . 10 1 1 A 30 30 GLY CA C 30 45.497 45.541 -0.044 1
1 316 . 10 1 1 A 30 30 GLY N N 30 107.837 106.592 1.245 1
1 317 . 10 1 1 A 31 31 ALA H H 31 7.830 7.491 0.339 1
1 318 . 10 1 1 A 31 31 ALA HA H 31 4.446 4.484 -0.038 1
1 322 . 10 1 1 A 31 31 ALA CA C 31 51.562 51.185 0.377 1
1 323 . 10 1 1 A 31 31 ALA CB C 31 19.964 20.489 -0.525 1
1 324 . 10 1 1 A 31 31 ALA N N 31 122.333 123.182 -0.849 1
1 325 . 10 1 1 A 32 32 GLU H H 32 8.322 8.723 -0.401 1
1 326 . 10 1 1 A 32 32 GLU HA H 32 4.173 4.388 -0.215 1
1 331 . 10 1 1 A 32 32 GLU CA C 32 55.621 56.527 -0.906 1
1 332 . 10 1 1 A 32 32 GLU CB C 32 29.734 30.186 -0.452 1
1 334 . 10 1 1 A 32 32 GLU N N 32 124.383 123.156 1.227 1
1 335 . 10 1 1 A 33 33 PHE H H 33 7.623 8.430 -0.807 1
1 336 . 10 1 1 A 33 33 PHE HA H 33 5.151 5.479 -0.328 1
1 344 . 10 1 1 A 33 33 PHE CA C 33 55.106 55.225 -0.119 1
1 345 . 10 1 1 A 33 33 PHE CB C 33 41.937 42.347 -0.410 1
1 346 . 10 1 1 A 33 33 PHE N N 33 116.953 119.057 -2.104 1
1 347 . 10 1 1 A 34 34 ASN H H 34 8.938 9.324 -0.386 1
1 348 . 10 1 1 A 34 34 ASN HA H 34 4.897 5.103 -0.206 1
1 353 . 10 1 1 A 34 34 ASN CA C 34 52.081 53.562 -1.481 1
1 354 . 10 1 1 A 34 34 ASN CB C 34 39.784 38.901 0.883 1
1 355 . 10 1 1 A 34 34 ASN N N 34 120.410 118.197 2.213 1
1 357 . 10 1 1 A 35 35 GLU H H 35 8.764 8.904 -0.140 1
1 358 . 10 1 1 A 35 35 GLU HA H 35 5.135 4.902 0.233 1
1 363 . 10 1 1 A 35 35 GLU CA C 35 54.519 55.938 -1.419 1
1 364 . 10 1 1 A 35 35 GLU CB C 35 31.306 30.663 0.643 1
1 366 . 10 1 1 A 35 35 GLU N N 35 126.769 125.396 1.373 1
1 367 . 10 1 1 A 36 36 ILE H H 36 8.975 8.755 0.220 1
1 368 . 10 1 1 A 36 36 ILE HA H 36 4.108 4.715 -0.607 1
1 378 . 10 1 1 A 36 36 ILE CA C 36 60.156 58.965 1.191 1
1 379 . 10 1 1 A 36 36 ILE CB C 36 40.382 41.367 -0.985 1
1 383 . 10 1 1 A 36 36 ILE N N 36 130.393 127.635 2.758 1
1 384 . 10 1 1 A 37 37 ASP H H 37 8.494 8.552 -0.058 1
1 385 . 10 1 1 A 37 37 ASP HA H 37 4.965 5.126 -0.161 1
1 388 . 10 1 1 A 37 37 ASP CA C 37 52.537 52.588 -0.051 1
1 389 . 10 1 1 A 37 37 ASP CB C 37 39.350 43.090 -3.740 1
1 390 . 10 1 1 A 37 37 ASP N N 37 125.910 124.052 1.858 1
1 391 . 10 1 1 A 38 38 ALA H H 38 8.764 8.211 0.553 1
1 392 . 10 1 1 A 38 38 ALA HA H 38 4.621 4.287 0.334 1
1 396 . 10 1 1 A 38 38 ALA CA C 38 51.729 53.217 -1.488 1
1 397 . 10 1 1 A 38 38 ALA CB C 38 20.588 19.802 0.786 1
1 398 . 10 1 1 A 38 38 ALA N N 38 130.164 124.385 5.779 1
1 399 . 10 1 1 A 39 39 SER H H 39 8.668 8.489 0.179 1
1 400 . 10 1 1 A 39 39 SER HA H 39 4.469 4.377 0.092 1
1 403 . 10 1 1 A 39 39 SER CA C 39 59.342 61.287 -1.945 1
1 404 . 10 1 1 A 39 39 SER CB C 39 64.938 62.819 2.119 1
1 405 . 10 1 1 A 39 39 SER N N 39 111.397 113.409 -2.012 1
1 406 . 10 1 1 A 40 40 ALA H H 40 7.466 7.824 -0.358 1
1 407 . 10 1 1 A 40 40 ALA HA H 40 4.136 4.097 0.039 1
1 411 . 10 1 1 A 40 40 ALA CA C 40 55.000 55.036 -0.036 1
1 412 . 10 1 1 A 40 40 ALA CB C 40 20.463 18.975 1.488 1
1 413 . 10 1 1 A 40 40 ALA N N 40 124.335 123.094 1.241 1
1 414 . 10 1 1 A 41 41 THR H H 41 7.098 7.494 -0.396 1
1 415 . 10 1 1 A 41 41 THR HA H 41 4.978 4.885 0.093 1
1 420 . 10 1 1 A 41 41 THR CA C 41 57.841 58.648 -0.807 1
1 421 . 10 1 1 A 41 41 THR CB C 41 70.742 70.837 -0.095 1
1 423 . 10 1 1 A 41 41 THR N N 41 105.166 107.594 -2.428 1
1 424 . 10 1 1 A 42 42 PRO HA H 42 4.299 4.372 -0.073 1
1 431 . 10 1 1 A 42 42 PRO CA C 42 64.586 65.229 -0.643 1
1 432 . 10 1 1 A 42 42 PRO CB C 42 31.963 32.010 -0.047 1
1 435 . 10 1 1 A 43 43 GLU H H 43 8.997 8.460 0.537 1
1 436 . 10 1 1 A 43 43 GLU HA H 43 4.052 4.085 -0.033 1
1 441 . 10 1 1 A 43 43 GLU CA C 43 60.694 59.132 1.562 1
1 442 . 10 1 1 A 43 43 GLU CB C 43 28.709 29.211 -0.502 1
1 444 . 10 1 1 A 43 43 GLU N N 43 118.804 118.018 0.786 1
1 445 . 10 1 1 A 44 44 LEU H H 44 7.882 8.235 -0.353 1
1 446 . 10 1 1 A 44 44 LEU HA H 44 4.285 4.400 -0.115 1
1 456 . 10 1 1 A 44 44 LEU CA C 44 57.573 57.144 0.429 1
1 457 . 10 1 1 A 44 44 LEU CB C 44 42.548 41.523 1.025 1
1 461 . 10 1 1 A 44 44 LEU N N 44 122.381 120.604 1.777 1
1 462 . 10 1 1 A 45 45 ARG H H 45 7.709 7.780 -0.071 1
1 463 . 10 1 1 A 45 45 ARG HA H 45 4.026 4.176 -0.150 1
1 470 . 10 1 1 A 45 45 ARG CA C 45 60.055 58.858 1.197 1
1 471 . 10 1 1 A 45 45 ARG CB C 45 29.943 30.045 -0.102 1
1 474 . 10 1 1 A 45 45 ARG N N 45 122.487 121.482 1.005 1
1 475 . 10 1 1 A 46 46 ALA H H 46 8.144 8.572 -0.428 1
1 476 . 10 1 1 A 46 46 ALA HA H 46 4.074 4.115 -0.041 1
1 480 . 10 1 1 A 46 46 ALA CA C 46 54.865 55.053 -0.188 1
1 481 . 10 1 1 A 46 46 ALA CB C 46 17.777 18.298 -0.521 1
1 482 . 10 1 1 A 46 46 ALA N N 46 121.132 121.891 -0.759 1
1 483 . 10 1 1 A 47 47 GLU H H 47 7.902 7.989 -0.087 1
1 484 . 10 1 1 A 47 47 GLU HA H 47 3.995 4.121 -0.126 1
1 489 . 10 1 1 A 47 47 GLU CA C 47 59.524 59.072 0.452 1
1 490 . 10 1 1 A 47 47 GLU CB C 47 29.915 29.024 0.891 1
1 492 . 10 1 1 A 47 47 GLU N N 47 121.104 116.391 4.713 1
1 493 . 10 1 1 A 48 48 MET H H 48 7.984 8.080 -0.096 1
1 494 . 10 1 1 A 48 48 MET HA H 48 2.786 4.236 -1.450 1
1 499 . 10 1 1 A 48 48 MET CA C 48 59.662 59.038 0.624 1
1 500 . 10 1 1 A 48 48 MET CB C 48 33.701 32.200 1.501 1
1 502 . 10 1 1 A 48 48 MET N N 48 118.769 119.153 -0.384 1
1 503 . 10 1 1 A 49 49 GLN H H 49 8.209 7.477 0.732 1
1 504 . 10 1 1 A 49 49 GLN HA H 49 4.299 4.302 -0.003 1
1 511 . 10 1 1 A 49 49 GLN CA C 49 58.669 58.070 0.599 1
1 512 . 10 1 1 A 49 49 GLN CB C 49 28.742 28.685 0.057 1
1 514 . 10 1 1 A 49 49 GLN N N 49 122.155 118.363 3.792 1
1 516 . 10 1 1 A 50 50 GLU H H 50 8.671 7.835 0.836 1
1 517 . 10 1 1 A 50 50 GLU HA H 50 3.904 4.144 -0.240 1
1 522 . 10 1 1 A 50 50 GLU CA C 50 59.156 58.743 0.413 1
1 523 . 10 1 1 A 50 50 GLU CB C 50 29.504 29.358 0.146 1
1 525 . 10 1 1 A 50 50 GLU N N 50 122.081 120.689 1.392 1
1 526 . 10 1 1 A 51 51 ARG H H 51 8.244 7.920 0.324 1
1 527 . 10 1 1 A 51 51 ARG HA H 51 3.993 4.518 -0.525 1
1 534 . 10 1 1 A 51 51 ARG CA C 51 58.503 57.188 1.315 1
1 535 . 10 1 1 A 51 51 ARG CB C 51 31.363 31.349 0.014 1
1 538 . 10 1 1 A 51 51 ARG N N 51 115.848 118.860 -3.012 1
1 539 . 10 1 1 A 52 52 SER H H 52 7.994 7.547 0.447 1
1 540 . 10 1 1 A 52 52 SER HA H 52 3.674 4.347 -0.673 1
1 543 . 10 1 1 A 52 52 SER CA C 52 58.897 59.078 -0.181 1
1 544 . 10 1 1 A 52 52 SER CB C 52 66.908 63.739 3.169 1
1 545 . 10 1 1 A 52 52 SER N N 52 109.721 111.787 -2.066 1
1 546 . 10 1 1 A 53 53 GLY H H 53 8.205 9.077 -0.872 1
1 547 . 10 1 1 A 53 53 GLY HA2 H 53 3.815 3.919 -0.104 1
1 548 . 10 1 1 A 53 53 GLY HA3 H 53 4.063 3.941 0.122 1
1 549 . 10 1 1 A 53 53 GLY CA C 53 46.182 46.283 -0.101 1
1 550 . 10 1 1 A 53 53 GLY N N 53 112.716 109.094 3.622 1
1 551 . 10 1 1 A 54 54 ARG H H 54 8.323 7.730 0.593 1
1 552 . 10 1 1 A 54 54 ARG HA H 54 4.595 4.794 -0.199 1
1 559 . 10 1 1 A 54 54 ARG CA C 54 54.426 53.842 0.584 1
1 560 . 10 1 1 A 54 54 ARG CB C 54 35.418 34.356 1.062 1
1 563 . 10 1 1 A 54 54 ARG N N 54 119.629 119.728 -0.099 1
1 564 . 10 1 1 A 55 55 ASN H H 55 8.184 8.814 -0.630 1
1 565 . 10 1 1 A 55 55 ASN HA H 55 4.692 4.370 0.322 1
1 570 . 10 1 1 A 55 55 ASN CA C 55 51.458 56.507 -5.049 1
1 571 . 10 1 1 A 55 55 ASN N N 55 112.763 120.359 -7.596 1
1 573 . 10 1 1 A 56 56 THR H H 56 6.730 7.692 -0.962 1
1 574 . 10 1 1 A 56 56 THR HA H 56 4.309 4.913 -0.604 1
1 579 . 10 1 1 A 56 56 THR CA C 56 59.120 61.389 -2.269 1
1 580 . 10 1 1 A 56 56 THR CB C 56 70.754 71.897 -1.143 1
1 582 . 10 1 1 A 56 56 THR N N 56 107.946 108.579 -0.633 1
1 583 . 10 1 1 A 57 57 PHE H H 57 8.568 9.061 -0.493 1
1 584 . 10 1 1 A 57 57 PHE HA H 57 4.641 5.146 -0.505 1
1 592 . 10 1 1 A 57 57 PHE CA C 57 54.923 55.354 -0.431 1
1 593 . 10 1 1 A 57 57 PHE CB C 57 41.272 40.593 0.679 1
1 594 . 10 1 1 A 57 57 PHE N N 57 117.566 120.096 -2.530 1
1 595 . 10 1 1 A 58 58 PRO HA H 58 5.604 4.589 1.015 1
1 602 . 10 1 1 A 58 58 PRO CA C 58 62.749 62.766 -0.017 1
1 603 . 10 1 1 A 58 58 PRO CB C 58 36.563 31.839 4.724 1
1 606 . 10 1 1 A 59 59 GLN H H 59 7.926 8.367 -0.441 1
1 607 . 10 1 1 A 59 59 GLN HA H 59 4.813 4.755 0.058 1
1 614 . 10 1 1 A 59 59 GLN CA C 59 55.111 54.827 0.284 1
1 615 . 10 1 1 A 59 59 GLN CB C 59 31.737 30.200 1.537 1
1 617 . 10 1 1 A 59 59 GLN N N 59 112.301 121.431 -9.130 1
1 619 . 10 1 1 A 60 60 ILE H H 60 8.936 8.840 0.096 1
1 620 . 10 1 1 A 60 60 ILE HA H 60 4.933 4.257 0.676 1
1 630 . 10 1 1 A 60 60 ILE CA C 60 61.288 60.120 1.168 1
1 631 . 10 1 1 A 60 60 ILE CB C 60 40.912 38.664 2.248 1
1 635 . 10 1 1 A 60 60 ILE N N 60 123.133 124.033 -0.900 1
1 636 . 10 1 1 A 61 61 PHE H H 61 9.629 9.098 0.531 1
1 637 . 10 1 1 A 61 61 PHE HA H 61 5.354 5.216 0.138 1
1 645 . 10 1 1 A 61 61 PHE CA C 61 56.630 57.076 -0.446 1
1 646 . 10 1 1 A 61 61 PHE CB C 61 41.883 40.326 1.557 1
1 647 . 10 1 1 A 61 61 PHE N N 61 128.347 126.906 1.441 1
1 648 . 10 1 1 A 62 62 ILE H H 62 9.070 8.891 0.179 1
1 649 . 10 1 1 A 62 62 ILE HA H 62 4.587 4.573 0.014 1
1 659 . 10 1 1 A 62 62 ILE CA C 62 60.903 60.339 0.564 1
1 660 . 10 1 1 A 62 62 ILE CB C 62 39.789 38.934 0.855 1
1 664 . 10 1 1 A 62 62 ILE N N 62 122.709 123.734 -1.025 1
1 665 . 10 1 1 A 63 63 GLY H H 63 9.303 8.907 0.396 1
1 666 . 10 1 1 A 63 63 GLY HA2 H 63 3.889 3.891 -0.002 1
1 667 . 10 1 1 A 63 63 GLY HA3 H 63 4.081 3.892 0.189 1
1 668 . 10 1 1 A 63 63 GLY CA C 63 47.216 47.360 -0.144 1
1 669 . 10 1 1 A 63 63 GLY N N 63 116.351 118.393 -2.042 1
1 670 . 10 1 1 A 64 64 SER H H 64 9.242 8.361 0.881 1
1 671 . 10 1 1 A 64 64 SER HA H 64 4.525 4.660 -0.135 1
1 674 . 10 1 1 A 64 64 SER CA C 64 59.046 57.788 1.258 1
1 675 . 10 1 1 A 64 64 SER CB C 64 63.900 63.689 0.211 1
1 676 . 10 1 1 A 64 64 SER N N 64 122.307 121.741 0.566 1
1 677 . 10 1 1 A 65 65 VAL H H 65 8.475 7.630 0.845 1
1 678 . 10 1 1 A 65 65 VAL HA H 65 4.013 4.803 -0.790 1
1 686 . 10 1 1 A 65 65 VAL CA C 65 62.737 60.470 2.267 1
1 687 . 10 1 1 A 65 65 VAL CB C 65 33.308 35.577 -2.269 1
1 690 . 10 1 1 A 65 65 VAL N N 65 124.659 120.805 3.854 1
1 691 . 10 1 1 A 66 66 HIS H H 66 8.968 9.019 -0.051 1
1 692 . 10 1 1 A 66 66 HIS HA H 66 4.337 5.261 -0.924 1
1 698 . 10 1 1 A 66 66 HIS CA C 66 54.409 54.536 -0.127 1
1 699 . 10 1 1 A 66 66 HIS CB C 66 31.099 30.691 0.408 1
1 700 . 10 1 1 A 66 66 HIS N N 66 128.172 126.411 1.761 1
1 701 . 10 1 1 A 67 67 VAL H H 67 8.148 8.936 -0.788 1
1 702 . 10 1 1 A 67 67 VAL HA H 67 3.329 3.701 -0.372 1
1 710 . 10 1 1 A 67 67 VAL CA C 67 64.129 65.510 -1.381 1
1 711 . 10 1 1 A 67 67 VAL CB C 67 32.554 32.181 0.373 1
1 714 . 10 1 1 A 67 67 VAL N N 67 130.509 127.505 3.004 1
1 715 . 10 1 1 A 68 68 GLY H H 68 6.365 7.389 -1.024 1
1 716 . 10 1 1 A 68 68 GLY HA2 H 68 3.003 4.059 -1.056 1
1 717 . 10 1 1 A 68 68 GLY HA3 H 68 4.513 4.171 0.342 1
1 718 . 10 1 1 A 68 68 GLY CA C 68 43.722 45.719 -1.997 1
1 719 . 10 1 1 A 68 68 GLY N N 68 102.729 105.807 -3.078 1
1 720 . 10 1 1 A 69 69 GLY H H 69 9.087 8.588 0.499 1
1 721 . 10 1 1 A 69 69 GLY HA2 H 69 3.752 4.128 -0.376 1
1 722 . 10 1 1 A 69 69 GLY HA3 H 69 4.633 4.386 0.247 1
1 723 . 10 1 1 A 69 69 GLY CA C 69 43.851 45.052 -1.201 1
1 724 . 10 1 1 A 69 69 GLY N N 69 110.274 112.646 -2.372 1
1 725 . 10 1 1 A 70 70 CYS H H 70 8.467 8.748 -0.281 1
1 726 . 10 1 1 A 70 70 CYS HA H 70 3.806 4.178 -0.372 1
1 729 . 10 1 1 A 70 70 CYS CA C 70 63.366 61.552 1.814 1
1 730 . 10 1 1 A 70 70 CYS CB C 70 27.642 27.189 0.453 1
1 731 . 10 1 1 A 70 70 CYS N N 70 118.787 117.854 0.933 1
1 732 . 10 1 1 A 71 71 ASP HA H 71 4.398 4.287 0.111 1
1 735 . 10 1 1 A 71 71 ASP CA C 71 57.405 57.292 0.113 1
1 736 . 10 1 1 A 71 71 ASP CB C 71 39.058 41.069 -2.011 1
1 737 . 10 1 1 A 72 72 ASP H H 72 7.266 8.343 -1.077 1
1 738 . 10 1 1 A 72 72 ASP HA H 72 4.285 4.499 -0.214 1
1 741 . 10 1 1 A 72 72 ASP CA C 72 57.322 57.483 -0.161 1
1 742 . 10 1 1 A 72 72 ASP CB C 72 41.553 40.562 0.991 1
1 743 . 10 1 1 A 72 72 ASP N N 72 119.650 119.530 0.120 1
1 744 . 10 1 1 A 73 73 LEU H H 73 7.755 8.296 -0.541 1
1 745 . 10 1 1 A 73 73 LEU HA H 73 3.736 4.081 -0.345 1
1 755 . 10 1 1 A 73 73 LEU CA C 73 58.272 57.917 0.355 1
1 756 . 10 1 1 A 73 73 LEU CB C 73 41.995 42.076 -0.081 1
1 760 . 10 1 1 A 73 73 LEU N N 73 121.526 121.193 0.333 1
1 761 . 10 1 1 A 74 74 TYR H H 74 8.244 8.305 -0.061 1
1 762 . 10 1 1 A 74 74 TYR HA H 74 3.697 4.046 -0.349 1
1 769 . 10 1 1 A 74 74 TYR CA C 74 62.802 61.708 1.094 1
1 770 . 10 1 1 A 74 74 TYR CB C 74 37.819 37.739 0.080 1
1 771 . 10 1 1 A 74 74 TYR N N 74 116.552 118.275 -1.723 1
1 772 . 10 1 1 A 75 75 ALA H H 75 8.169 8.425 -0.256 1
1 773 . 10 1 1 A 75 75 ALA HA H 75 4.286 4.163 0.123 1
1 777 . 10 1 1 A 75 75 ALA CA C 75 55.465 55.031 0.434 1
1 778 . 10 1 1 A 75 75 ALA CB C 75 17.722 18.540 -0.818 1
1 779 . 10 1 1 A 75 75 ALA N N 75 122.825 123.163 -0.338 1
1 780 . 10 1 1 A 76 76 LEU H H 76 7.353 8.308 -0.955 1
1 781 . 10 1 1 A 76 76 LEU HA H 76 4.003 4.066 -0.063 1
1 791 . 10 1 1 A 76 76 LEU CA C 76 57.687 57.841 -0.154 1
1 792 . 10 1 1 A 76 76 LEU CB C 76 42.753 41.610 1.143 1
1 796 . 10 1 1 A 76 76 LEU N N 76 116.756 120.406 -3.650 1
1 797 . 10 1 1 A 77 77 GLU H H 77 7.420 8.486 -1.066 1
1 798 . 10 1 1 A 77 77 GLU HA H 77 4.575 4.055 0.520 1
1 803 . 10 1 1 A 77 77 GLU CA C 77 57.962 58.763 -0.801 1
1 804 . 10 1 1 A 77 77 GLU CB C 77 28.292 28.520 -0.228 1
1 806 . 10 1 1 A 77 77 GLU N N 77 121.356 117.732 3.624 1
1 807 . 10 1 1 A 78 78 ASP H H 78 8.637 7.712 0.925 1
1 808 . 10 1 1 A 78 78 ASP HA H 78 4.399 4.389 0.010 1
1 811 . 10 1 1 A 78 78 ASP CA C 78 57.569 56.657 0.912 1
1 812 . 10 1 1 A 78 78 ASP CB C 78 40.715 40.954 -0.239 1
1 813 . 10 1 1 A 78 78 ASP N N 78 123.396 120.853 2.543 1
1 814 . 10 1 1 A 79 79 GLU H H 79 7.773 8.128 -0.355 1
1 815 . 10 1 1 A 79 79 GLU HA H 79 4.283 4.391 -0.108 1
1 820 . 10 1 1 A 79 79 GLU CA C 79 56.357 56.266 0.091 1
1 821 . 10 1 1 A 79 79 GLU CB C 79 30.855 30.813 0.042 1
1 823 . 10 1 1 A 79 79 GLU N N 79 115.336 116.168 -0.832 1
1 824 . 10 1 1 A 80 80 GLY H H 80 8.050 7.800 0.250 1
1 825 . 10 1 1 A 80 80 GLY HA2 H 80 4.031 3.977 0.054 1
1 826 . 10 1 1 A 80 80 GLY HA3 H 80 4.031 3.979 0.052 1
1 827 . 10 1 1 A 80 80 GLY CA C 80 46.314 46.166 0.148 1
1 828 . 10 1 1 A 80 80 GLY N N 80 108.957 108.475 0.482 1
1 829 . 10 1 1 A 81 81 LYS H H 81 8.188 7.553 0.635 1
1 830 . 10 1 1 A 81 81 LYS HA H 81 4.415 4.345 0.070 1
1 839 . 10 1 1 A 81 81 LYS CA C 81 56.716 56.846 -0.130 1
1 840 . 10 1 1 A 81 81 LYS CB C 81 35.935 32.753 3.182 1
1 844 . 10 1 1 A 81 81 LYS N N 81 116.879 118.443 -1.564 1
1 845 . 10 1 1 A 82 82 LEU H H 82 7.499 7.727 -0.228 1
1 846 . 10 1 1 A 82 82 LEU HA H 82 3.977 3.971 0.006 1
1 856 . 10 1 1 A 82 82 LEU CA C 82 57.480 58.030 -0.550 1
1 857 . 10 1 1 A 82 82 LEU CB C 82 40.489 41.370 -0.881 1
1 861 . 10 1 1 A 82 82 LEU N N 82 122.734 119.761 2.973 1
1 862 . 10 1 1 A 83 83 ASP H H 83 8.625 8.235 0.390 1
1 863 . 10 1 1 A 83 83 ASP HA H 83 4.248 4.377 -0.129 1
1 866 . 10 1 1 A 83 83 ASP CA C 83 58.680 57.814 0.866 1
1 867 . 10 1 1 A 83 83 ASP CB C 83 40.149 42.032 -1.883 1
1 868 . 10 1 1 A 83 83 ASP N N 83 119.728 120.167 -0.439 1
1 869 . 10 1 1 A 84 84 SER H H 84 8.426 7.915 0.511 1
1 870 . 10 1 1 A 84 84 SER HA H 84 4.219 4.301 -0.082 1
1 873 . 10 1 1 A 84 84 SER CA C 84 61.473 61.725 -0.252 1
1 874 . 10 1 1 A 84 84 SER CB C 84 62.589 63.274 -0.685 1
1 875 . 10 1 1 A 84 84 SER N N 84 113.454 116.083 -2.629 1
1 876 . 10 1 1 A 85 85 LEU H H 85 7.551 7.992 -0.441 1
1 877 . 10 1 1 A 85 85 LEU HA H 85 4.319 4.060 0.259 1
1 887 . 10 1 1 A 85 85 LEU CA C 85 58.355 57.708 0.647 1
1 888 . 10 1 1 A 85 85 LEU CB C 85 41.588 41.482 0.106 1
1 892 . 10 1 1 A 85 85 LEU N N 85 126.500 121.741 4.759 1
1 893 . 10 1 1 A 86 86 LEU H H 86 8.382 7.845 0.537 1
1 894 . 10 1 1 A 86 86 LEU HA H 86 3.827 4.106 -0.279 1
1 904 . 10 1 1 A 86 86 LEU CA C 86 57.826 57.679 0.147 1
1 905 . 10 1 1 A 86 86 LEU CB C 86 41.840 41.474 0.366 1
1 909 . 10 1 1 A 86 86 LEU N N 86 117.962 116.544 1.418 1
1 910 . 10 1 1 A 87 87 LYS H H 87 7.522 7.594 -0.072 1
1 911 . 10 1 1 A 87 87 LYS HA H 87 4.331 4.074 0.257 1
1 920 . 10 1 1 A 87 87 LYS CA C 87 58.325 59.128 -0.803 1
1 921 . 10 1 1 A 87 87 LYS CB C 87 34.043 32.732 1.311 1
1 925 . 10 1 1 A 87 87 LYS N N 87 114.198 118.997 -4.799 1
1 926 . 10 1 1 A 88 88 THR H H 88 8.165 8.278 -0.113 1
1 927 . 10 1 1 A 88 88 THR HA H 88 4.507 4.435 0.072 1
1 932 . 10 1 1 A 88 88 THR CA C 88 62.385 62.544 -0.159 1
1 933 . 10 1 1 A 88 88 THR CB C 88 72.525 70.578 1.947 1
1 935 . 10 1 1 A 88 88 THR N N 88 106.021 108.769 -2.748 1
1 936 . 10 1 1 A 89 89 GLY H H 89 9.139 8.884 0.255 1
1 937 . 10 1 1 A 89 89 GLY HA2 H 89 3.612 3.895 -0.283 1
1 938 . 10 1 1 A 89 89 GLY HA3 H 89 4.204 3.901 0.303 1
1 939 . 10 1 1 A 89 89 GLY CA C 89 46.770 45.723 1.047 1
1 940 . 10 1 1 A 89 89 GLY N N 89 112.926 112.370 0.556 1
1 941 . 10 1 1 A 90 90 LYS H H 90 7.933 7.571 0.362 1
1 942 . 10 1 1 A 90 90 LYS HA H 90 4.459 4.913 -0.454 1
1 951 . 10 1 1 A 90 90 LYS CA C 90 54.576 54.480 0.096 1
1 952 . 10 1 1 A 90 90 LYS CB C 90 35.788 36.713 -0.925 1
1 956 . 10 1 1 A 90 90 LYS N N 90 117.810 119.806 -1.996 1
1 957 . 10 1 1 A 91 91 LEU H H 91 8.487 8.349 0.138 1
1 958 . 10 1 1 A 91 91 LEU HA H 91 4.423 4.890 -0.467 1
1 968 . 10 1 1 A 91 91 LEU CA C 91 54.491 53.454 1.037 1
1 969 . 10 1 1 A 91 91 LEU CB C 91 43.083 43.349 -0.266 1
1 973 . 10 1 1 A 91 91 LEU N N 91 123.364 119.708 3.656 1
1 1 . 11 1 1 A 2 2 PRO HA H 2 4.444 4.493 -0.049 1
1 8 . 11 1 1 A 2 2 PRO CA C 2 63.468 62.404 1.064 1
1 9 . 11 1 1 A 2 2 PRO CB C 2 32.153 33.074 -0.921 1
1 12 . 11 1 1 A 3 3 GLY H H 3 8.672 8.581 0.091 1
1 13 . 11 1 1 A 3 3 GLY HA2 H 3 4.759 4.067 0.692 1
1 14 . 11 1 1 A 3 3 GLY HA3 H 3 4.759 4.069 0.690 1
1 15 . 11 1 1 A 3 3 GLY CA C 3 45.323 45.483 -0.160 1
1 16 . 11 1 1 A 3 3 GLY N N 3 110.465 109.020 1.445 1
1 17 . 11 1 1 A 4 4 SER H H 4 8.201 9.103 -0.902 1
1 18 . 11 1 1 A 4 4 SER HA H 4 4.454 4.599 -0.145 1
1 21 . 11 1 1 A 4 4 SER CA C 4 58.370 59.452 -1.082 1
1 22 . 11 1 1 A 4 4 SER CB C 4 64.049 64.796 -0.747 1
1 23 . 11 1 1 A 4 4 SER N N 4 115.747 117.682 -1.935 1
1 24 . 11 1 1 A 5 5 MET H H 5 8.315 7.706 0.609 1
1 25 . 11 1 1 A 5 5 MET HA H 5 4.675 4.768 -0.093 1
1 30 . 11 1 1 A 5 5 MET CA C 5 55.466 54.417 1.049 1
1 31 . 11 1 1 A 5 5 MET CB C 5 34.462 35.288 -0.826 1
1 33 . 11 1 1 A 5 5 MET N N 5 121.679 117.886 3.793 1
1 34 . 11 1 1 A 6 6 VAL H H 6 8.169 8.735 -0.566 1
1 35 . 11 1 1 A 6 6 VAL HA H 6 4.141 4.804 -0.663 1
1 43 . 11 1 1 A 6 6 VAL CA C 6 61.395 58.718 2.677 1
1 44 . 11 1 1 A 6 6 VAL CB C 6 32.669 35.483 -2.814 1
1 47 . 11 1 1 A 6 6 VAL N N 6 118.330 117.227 1.103 1
1 48 . 11 1 1 A 7 7 ASP H H 7 8.335 8.655 -0.320 1
1 49 . 11 1 1 A 7 7 ASP HA H 7 4.526 4.978 -0.452 1
1 52 . 11 1 1 A 7 7 ASP CA C 7 55.023 54.643 0.380 1
1 53 . 11 1 1 A 7 7 ASP CB C 7 41.455 41.209 0.246 1
1 54 . 11 1 1 A 7 7 ASP N N 7 122.032 121.724 0.308 1
1 55 . 11 1 1 A 8 8 VAL H H 8 8.662 8.987 -0.325 1
1 56 . 11 1 1 A 8 8 VAL HA H 8 4.947 5.121 -0.174 1
1 64 . 11 1 1 A 8 8 VAL CA C 8 61.415 61.100 0.315 1
1 65 . 11 1 1 A 8 8 VAL CB C 8 33.703 34.409 -0.706 1
1 68 . 11 1 1 A 8 8 VAL N N 8 124.216 125.425 -1.209 1
1 69 . 11 1 1 A 9 9 ILE H H 9 9.311 9.166 0.145 1
1 70 . 11 1 1 A 9 9 ILE HA H 9 4.963 5.085 -0.122 1
1 80 . 11 1 1 A 9 9 ILE CA C 9 59.648 59.705 -0.057 1
1 81 . 11 1 1 A 9 9 ILE CB C 9 41.374 42.427 -1.053 1
1 85 . 11 1 1 A 9 9 ILE N N 9 129.869 126.470 3.399 1
1 86 . 11 1 1 A 10 10 ILE H H 10 8.720 9.372 -0.652 1
1 87 . 11 1 1 A 10 10 ILE HA H 10 5.442 5.380 0.062 1
1 97 . 11 1 1 A 10 10 ILE CA C 10 58.153 58.640 -0.487 1
1 98 . 11 1 1 A 10 10 ILE CB C 10 41.947 41.774 0.173 1
1 102 . 11 1 1 A 10 10 ILE N N 10 123.598 126.934 -3.336 1
1 103 . 11 1 1 A 11 11 TYR H H 11 9.340 8.801 0.539 1
1 104 . 11 1 1 A 11 11 TYR HA H 11 5.667 5.613 0.054 1
1 111 . 11 1 1 A 11 11 TYR CA C 11 57.300 56.513 0.787 1
1 112 . 11 1 1 A 11 11 TYR CB C 11 40.550 40.544 0.006 1
1 113 . 11 1 1 A 11 11 TYR N N 11 128.888 127.710 1.178 1
1 114 . 11 1 1 A 12 12 THR H H 12 9.374 8.744 0.630 1
1 115 . 11 1 1 A 12 12 THR HA H 12 5.277 4.993 0.284 1
1 120 . 11 1 1 A 12 12 THR CA C 12 59.567 59.833 -0.266 1
1 121 . 11 1 1 A 12 12 THR CB C 12 72.183 72.197 -0.014 1
1 123 . 11 1 1 A 12 12 THR N N 12 112.083 113.780 -1.697 1
1 124 . 11 1 1 A 13 13 ARG H H 13 7.379 8.799 -1.420 1
1 125 . 11 1 1 A 13 13 ARG HA H 13 4.779 4.894 -0.115 1
1 132 . 11 1 1 A 13 13 ARG CA C 13 52.961 53.958 -0.997 1
1 133 . 11 1 1 A 13 13 ARG CB C 13 31.374 33.507 -2.133 1
1 136 . 11 1 1 A 13 13 ARG N N 13 113.131 119.168 -6.037 1
1 137 . 11 1 1 A 14 14 PRO HA H 14 4.276 4.302 -0.026 1
1 144 . 11 1 1 A 14 14 PRO CA C 14 63.498 63.776 -0.278 1
1 145 . 11 1 1 A 14 14 PRO CB C 14 32.015 31.299 0.716 1
1 148 . 11 1 1 A 15 15 GLY H H 15 8.672 8.793 -0.121 1
1 149 . 11 1 1 A 15 15 GLY HA2 H 15 3.946 3.931 0.015 1
1 150 . 11 1 1 A 15 15 GLY HA3 H 15 3.946 3.940 0.006 1
1 151 . 11 1 1 A 15 15 GLY N N 15 110.274 112.405 -2.131 1
1 152 . 11 1 1 A 16 16 CYS H H 16 6.985 7.284 -0.299 1
1 153 . 11 1 1 A 16 16 CYS HA H 16 4.769 4.672 0.097 1
1 156 . 11 1 1 A 16 16 CYS CA C 16 56.315 55.559 0.756 1
1 157 . 11 1 1 A 16 16 CYS CB C 16 31.724 29.164 2.560 1
1 158 . 11 1 1 A 16 16 CYS N N 16 124.357 119.462 4.895 1
1 159 . 11 1 1 A 17 17 PRO HA H 17 4.417 4.276 0.141 1
1 166 . 11 1 1 A 17 17 PRO CA C 17 64.516 65.354 -0.838 1
1 167 . 11 1 1 A 17 17 PRO CB C 17 32.205 31.532 0.673 1
1 170 . 11 1 1 A 18 18 TYR H H 18 9.273 7.378 1.895 1
1 171 . 11 1 1 A 18 18 TYR HA H 18 4.375 4.232 0.143 1
1 178 . 11 1 1 A 18 18 TYR CA C 18 61.227 61.505 -0.278 1
1 179 . 11 1 1 A 18 18 TYR CB C 18 38.025 37.834 0.191 1
1 180 . 11 1 1 A 18 18 TYR N N 18 127.619 117.569 10.050 1
1 181 . 11 1 1 A 19 19 CYS H H 19 9.854 8.148 1.706 1
1 182 . 11 1 1 A 19 19 CYS HA H 19 3.870 4.101 -0.231 1
1 185 . 11 1 1 A 19 19 CYS CA C 19 64.810 63.200 1.610 1
1 186 . 11 1 1 A 19 19 CYS CB C 19 29.498 27.373 2.125 1
1 187 . 11 1 1 A 19 19 CYS N N 19 128.016 119.769 8.247 1
1 188 . 11 1 1 A 20 20 ALA H H 20 7.948 7.778 0.170 1
1 189 . 11 1 1 A 20 20 ALA HA H 20 3.995 4.008 -0.013 1
1 193 . 11 1 1 A 20 20 ALA CA C 20 55.804 55.401 0.403 1
1 194 . 11 1 1 A 20 20 ALA CB C 20 18.201 18.572 -0.371 1
1 195 . 11 1 1 A 20 20 ALA N N 20 121.373 122.689 -1.316 1
1 196 . 11 1 1 A 21 21 ARG H H 21 8.064 7.924 0.140 1
1 197 . 11 1 1 A 21 21 ARG HA H 21 4.159 4.095 0.064 1
1 204 . 11 1 1 A 21 21 ARG CA C 21 59.500 59.693 -0.193 1
1 205 . 11 1 1 A 21 21 ARG CB C 21 30.535 30.362 0.173 1
1 208 . 11 1 1 A 21 21 ARG N N 21 119.886 117.789 2.097 1
1 209 . 11 1 1 A 22 22 ALA H H 22 8.342 7.772 0.570 1
1 210 . 11 1 1 A 22 22 ALA HA H 22 4.174 4.244 -0.070 1
1 214 . 11 1 1 A 22 22 ALA CA C 22 55.658 55.426 0.232 1
1 215 . 11 1 1 A 22 22 ALA CB C 22 19.485 18.297 1.188 1
1 216 . 11 1 1 A 22 22 ALA N N 22 125.852 121.659 4.193 1
1 217 . 11 1 1 A 23 23 LYS H H 23 7.968 8.189 -0.221 1
1 218 . 11 1 1 A 23 23 LYS HA H 23 3.243 3.835 -0.592 1
1 227 . 11 1 1 A 23 23 LYS CA C 23 60.699 59.611 1.088 1
1 228 . 11 1 1 A 23 23 LYS CB C 23 31.640 32.557 -0.917 1
1 232 . 11 1 1 A 23 23 LYS N N 23 116.539 117.201 -0.662 1
1 233 . 11 1 1 A 24 24 ALA H H 24 8.027 8.137 -0.110 1
1 234 . 11 1 1 A 24 24 ALA HA H 24 4.152 4.140 0.012 1
1 238 . 11 1 1 A 24 24 ALA CA C 24 55.067 55.015 0.052 1
1 239 . 11 1 1 A 24 24 ALA CB C 24 18.039 18.530 -0.491 1
1 240 . 11 1 1 A 24 24 ALA N N 24 120.099 122.240 -2.141 1
1 241 . 11 1 1 A 25 25 LEU H H 25 7.184 8.422 -1.238 1
1 242 . 11 1 1 A 25 25 LEU HA H 25 4.089 4.109 -0.020 1
1 252 . 11 1 1 A 25 25 LEU CA C 25 57.761 57.988 -0.227 1
1 253 . 11 1 1 A 25 25 LEU CB C 25 40.444 41.505 -1.061 1
1 257 . 11 1 1 A 25 25 LEU N N 25 119.676 119.173 0.503 1
1 258 . 11 1 1 A 26 26 LEU H H 26 7.477 8.219 -0.742 1
1 259 . 11 1 1 A 26 26 LEU HA H 26 3.701 4.180 -0.479 1
1 269 . 11 1 1 A 26 26 LEU CA C 26 58.523 57.890 0.633 1
1 270 . 11 1 1 A 26 26 LEU CB C 26 41.105 40.120 0.985 1
1 274 . 11 1 1 A 26 26 LEU N N 26 117.225 118.477 -1.252 1
1 275 . 11 1 1 A 27 27 ALA H H 27 8.657 8.164 0.493 1
1 276 . 11 1 1 A 27 27 ALA HA H 27 4.368 4.186 0.182 1
1 280 . 11 1 1 A 27 27 ALA CA C 27 55.066 55.064 0.002 1
1 281 . 11 1 1 A 27 27 ALA CB C 27 18.137 18.385 -0.248 1
1 282 . 11 1 1 A 27 27 ALA N N 27 119.692 122.316 -2.624 1
1 283 . 11 1 1 A 28 28 ARG H H 28 8.048 8.096 -0.048 1
1 284 . 11 1 1 A 28 28 ARG HA H 28 4.110 4.050 0.060 1
1 291 . 11 1 1 A 28 28 ARG CA C 28 59.249 59.502 -0.253 1
1 292 . 11 1 1 A 28 28 ARG CB C 28 29.962 30.034 -0.072 1
1 295 . 11 1 1 A 28 28 ARG N N 28 121.433 119.113 2.320 1
1 296 . 11 1 1 A 29 29 LYS H H 29 7.660 7.921 -0.261 1
1 297 . 11 1 1 A 29 29 LYS HA H 29 4.192 4.234 -0.042 1
1 306 . 11 1 1 A 29 29 LYS CA C 29 54.864 55.827 -0.963 1
1 307 . 11 1 1 A 29 29 LYS CB C 29 31.476 31.763 -0.287 1
1 311 . 11 1 1 A 29 29 LYS N N 29 115.942 115.677 0.265 1
1 312 . 11 1 1 A 30 30 GLY H H 30 7.919 7.894 0.025 1
1 313 . 11 1 1 A 30 30 GLY HA2 H 30 3.734 3.962 -0.228 1
1 314 . 11 1 1 A 30 30 GLY HA3 H 30 4.013 3.967 0.046 1
1 315 . 11 1 1 A 30 30 GLY CA C 30 45.497 45.083 0.414 1
1 316 . 11 1 1 A 30 30 GLY N N 30 107.837 109.168 -1.331 1
1 317 . 11 1 1 A 31 31 ALA H H 31 7.830 8.053 -0.223 1
1 318 . 11 1 1 A 31 31 ALA HA H 31 4.446 4.312 0.134 1
1 322 . 11 1 1 A 31 31 ALA CA C 31 51.562 52.667 -1.105 1
1 323 . 11 1 1 A 31 31 ALA CB C 31 19.964 19.390 0.574 1
1 324 . 11 1 1 A 31 31 ALA N N 31 122.333 124.210 -1.877 1
1 325 . 11 1 1 A 32 32 GLU H H 32 8.322 8.652 -0.330 1
1 326 . 11 1 1 A 32 32 GLU HA H 32 4.173 4.537 -0.364 1
1 331 . 11 1 1 A 32 32 GLU CA C 32 55.621 56.337 -0.716 1
1 332 . 11 1 1 A 32 32 GLU CB C 32 29.734 30.823 -1.089 1
1 334 . 11 1 1 A 32 32 GLU N N 32 124.383 124.055 0.328 1
1 335 . 11 1 1 A 33 33 PHE H H 33 7.623 8.448 -0.825 1
1 336 . 11 1 1 A 33 33 PHE HA H 33 5.151 5.101 0.050 1
1 344 . 11 1 1 A 33 33 PHE CA C 33 55.106 56.356 -1.250 1
1 345 . 11 1 1 A 33 33 PHE CB C 33 41.937 41.819 0.118 1
1 346 . 11 1 1 A 33 33 PHE N N 33 116.953 118.345 -1.392 1
1 347 . 11 1 1 A 34 34 ASN H H 34 8.938 8.622 0.316 1
1 348 . 11 1 1 A 34 34 ASN HA H 34 4.897 4.924 -0.027 1
1 353 . 11 1 1 A 34 34 ASN CA C 34 52.081 53.402 -1.321 1
1 354 . 11 1 1 A 34 34 ASN CB C 34 39.784 39.173 0.611 1
1 355 . 11 1 1 A 34 34 ASN N N 34 120.410 120.468 -0.058 1
1 357 . 11 1 1 A 35 35 GLU H H 35 8.764 8.903 -0.139 1
1 358 . 11 1 1 A 35 35 GLU HA H 35 5.135 4.927 0.208 1
1 363 . 11 1 1 A 35 35 GLU CA C 35 54.519 55.958 -1.439 1
1 364 . 11 1 1 A 35 35 GLU CB C 35 31.306 30.681 0.625 1
1 366 . 11 1 1 A 35 35 GLU N N 35 126.769 127.444 -0.675 1
1 367 . 11 1 1 A 36 36 ILE H H 36 8.975 8.661 0.314 1
1 368 . 11 1 1 A 36 36 ILE HA H 36 4.108 4.715 -0.607 1
1 378 . 11 1 1 A 36 36 ILE CA C 36 60.156 59.016 1.140 1
1 379 . 11 1 1 A 36 36 ILE CB C 36 40.382 41.295 -0.913 1
1 383 . 11 1 1 A 36 36 ILE N N 36 130.393 127.599 2.794 1
1 384 . 11 1 1 A 37 37 ASP H H 37 8.494 8.711 -0.217 1
1 385 . 11 1 1 A 37 37 ASP HA H 37 4.965 4.764 0.201 1
1 388 . 11 1 1 A 37 37 ASP CA C 37 52.537 53.322 -0.785 1
1 389 . 11 1 1 A 37 37 ASP CB C 37 39.350 42.196 -2.846 1
1 390 . 11 1 1 A 37 37 ASP N N 37 125.910 125.245 0.665 1
1 391 . 11 1 1 A 38 38 ALA H H 38 8.764 8.119 0.645 1
1 392 . 11 1 1 A 38 38 ALA HA H 38 4.621 4.428 0.193 1
1 396 . 11 1 1 A 38 38 ALA CA C 38 51.729 53.140 -1.411 1
1 397 . 11 1 1 A 38 38 ALA CB C 38 20.588 20.771 -0.183 1
1 398 . 11 1 1 A 38 38 ALA N N 38 130.164 123.712 6.452 1
1 399 . 11 1 1 A 39 39 SER H H 39 8.668 8.029 0.639 1
1 400 . 11 1 1 A 39 39 SER HA H 39 4.469 4.196 0.273 1
1 403 . 11 1 1 A 39 39 SER CA C 39 59.342 60.859 -1.517 1
1 404 . 11 1 1 A 39 39 SER CB C 39 64.938 63.054 1.884 1
1 405 . 11 1 1 A 39 39 SER N N 39 111.397 114.047 -2.650 1
1 406 . 11 1 1 A 40 40 ALA H H 40 7.466 7.719 -0.253 1
1 407 . 11 1 1 A 40 40 ALA HA H 40 4.136 4.107 0.029 1
1 411 . 11 1 1 A 40 40 ALA CA C 40 55.000 54.718 0.282 1
1 412 . 11 1 1 A 40 40 ALA CB C 40 20.463 18.935 1.528 1
1 413 . 11 1 1 A 40 40 ALA N N 40 124.335 121.860 2.475 1
1 414 . 11 1 1 A 41 41 THR H H 41 7.098 7.285 -0.187 1
1 415 . 11 1 1 A 41 41 THR HA H 41 4.978 4.914 0.064 1
1 420 . 11 1 1 A 41 41 THR CA C 41 57.841 58.911 -1.070 1
1 421 . 11 1 1 A 41 41 THR CB C 41 70.742 71.467 -0.725 1
1 423 . 11 1 1 A 41 41 THR N N 41 105.166 107.121 -1.955 1
1 424 . 11 1 1 A 42 42 PRO HA H 42 4.299 4.386 -0.087 1
1 431 . 11 1 1 A 42 42 PRO CA C 42 64.586 65.183 -0.597 1
1 432 . 11 1 1 A 42 42 PRO CB C 42 31.963 31.972 -0.009 1
1 435 . 11 1 1 A 43 43 GLU H H 43 8.997 8.436 0.561 1
1 436 . 11 1 1 A 43 43 GLU HA H 43 4.052 4.114 -0.062 1
1 441 . 11 1 1 A 43 43 GLU CA C 43 60.694 59.504 1.190 1
1 442 . 11 1 1 A 43 43 GLU CB C 43 28.709 29.404 -0.695 1
1 444 . 11 1 1 A 43 43 GLU N N 43 118.804 118.175 0.629 1
1 445 . 11 1 1 A 44 44 LEU H H 44 7.882 8.474 -0.592 1
1 446 . 11 1 1 A 44 44 LEU HA H 44 4.285 4.042 0.243 1
1 456 . 11 1 1 A 44 44 LEU CA C 44 57.573 58.185 -0.612 1
1 457 . 11 1 1 A 44 44 LEU CB C 44 42.548 41.902 0.646 1
1 461 . 11 1 1 A 44 44 LEU N N 44 122.381 120.384 1.997 1
1 462 . 11 1 1 A 45 45 ARG H H 45 7.709 7.573 0.136 1
1 463 . 11 1 1 A 45 45 ARG HA H 45 4.026 4.160 -0.134 1
1 470 . 11 1 1 A 45 45 ARG CA C 45 60.055 58.943 1.112 1
1 471 . 11 1 1 A 45 45 ARG CB C 45 29.943 29.633 0.310 1
1 474 . 11 1 1 A 45 45 ARG N N 45 122.487 120.956 1.531 1
1 475 . 11 1 1 A 46 46 ALA H H 46 8.144 8.267 -0.123 1
1 476 . 11 1 1 A 46 46 ALA HA H 46 4.074 4.068 0.006 1
1 480 . 11 1 1 A 46 46 ALA CA C 46 54.865 55.314 -0.449 1
1 481 . 11 1 1 A 46 46 ALA CB C 46 17.777 18.341 -0.564 1
1 482 . 11 1 1 A 46 46 ALA N N 46 121.132 122.220 -1.088 1
1 483 . 11 1 1 A 47 47 GLU H H 47 7.902 8.766 -0.864 1
1 484 . 11 1 1 A 47 47 GLU HA H 47 3.995 4.088 -0.093 1
1 489 . 11 1 1 A 47 47 GLU CA C 47 59.524 59.371 0.153 1
1 490 . 11 1 1 A 47 47 GLU CB C 47 29.915 28.934 0.981 1
1 492 . 11 1 1 A 47 47 GLU N N 47 121.104 116.659 4.445 1
1 493 . 11 1 1 A 48 48 MET H H 48 7.984 8.240 -0.256 1
1 494 . 11 1 1 A 48 48 MET HA H 48 2.786 4.258 -1.472 1
1 499 . 11 1 1 A 48 48 MET CA C 48 59.662 58.651 1.011 1
1 500 . 11 1 1 A 48 48 MET CB C 48 33.701 33.466 0.235 1
1 502 . 11 1 1 A 48 48 MET N N 48 118.769 119.410 -0.641 1
1 503 . 11 1 1 A 49 49 GLN H H 49 8.209 8.886 -0.677 1
1 504 . 11 1 1 A 49 49 GLN HA H 49 4.299 4.189 0.110 1
1 511 . 11 1 1 A 49 49 GLN CA C 49 58.669 58.601 0.068 1
1 512 . 11 1 1 A 49 49 GLN CB C 49 28.742 27.772 0.970 1
1 514 . 11 1 1 A 49 49 GLN N N 49 122.155 117.516 4.639 1
1 516 . 11 1 1 A 50 50 GLU H H 50 8.671 7.965 0.706 1
1 517 . 11 1 1 A 50 50 GLU HA H 50 3.904 4.153 -0.249 1
1 522 . 11 1 1 A 50 50 GLU CA C 50 59.156 58.972 0.184 1
1 523 . 11 1 1 A 50 50 GLU CB C 50 29.504 29.299 0.205 1
1 525 . 11 1 1 A 50 50 GLU N N 50 122.081 120.319 1.762 1
1 526 . 11 1 1 A 51 51 ARG H H 51 8.244 7.797 0.447 1
1 527 . 11 1 1 A 51 51 ARG HA H 51 3.993 4.204 -0.211 1
1 534 . 11 1 1 A 51 51 ARG CA C 51 58.503 58.616 -0.113 1
1 535 . 11 1 1 A 51 51 ARG CB C 51 31.363 30.588 0.775 1
1 538 . 11 1 1 A 51 51 ARG N N 51 115.848 119.815 -3.967 1
1 539 . 11 1 1 A 52 52 SER H H 52 7.994 7.753 0.241 1
1 540 . 11 1 1 A 52 52 SER HA H 52 3.674 4.240 -0.566 1
1 543 . 11 1 1 A 52 52 SER CA C 52 58.897 59.177 -0.280 1
1 544 . 11 1 1 A 52 52 SER CB C 52 66.908 64.094 2.814 1
1 545 . 11 1 1 A 52 52 SER N N 52 109.721 112.197 -2.476 1
1 546 . 11 1 1 A 53 53 GLY H H 53 8.205 9.066 -0.861 1
1 547 . 11 1 1 A 53 53 GLY HA2 H 53 3.815 3.847 -0.032 1
1 548 . 11 1 1 A 53 53 GLY HA3 H 53 4.063 3.876 0.187 1
1 549 . 11 1 1 A 53 53 GLY CA C 53 46.182 45.986 0.196 1
1 550 . 11 1 1 A 53 53 GLY N N 53 112.716 111.229 1.487 1
1 551 . 11 1 1 A 54 54 ARG H H 54 8.323 7.285 1.038 1
1 552 . 11 1 1 A 54 54 ARG HA H 54 4.595 4.781 -0.186 1
1 559 . 11 1 1 A 54 54 ARG CA C 54 54.426 53.829 0.597 1
1 560 . 11 1 1 A 54 54 ARG CB C 54 35.418 34.380 1.038 1
1 563 . 11 1 1 A 54 54 ARG N N 54 119.629 119.707 -0.078 1
1 564 . 11 1 1 A 55 55 ASN H H 55 8.184 8.910 -0.726 1
1 565 . 11 1 1 A 55 55 ASN HA H 55 4.692 4.530 0.162 1
1 570 . 11 1 1 A 55 55 ASN CA C 55 51.458 56.120 -4.662 1
1 571 . 11 1 1 A 55 55 ASN N N 55 112.763 119.213 -6.450 1
1 573 . 11 1 1 A 56 56 THR H H 56 6.730 7.686 -0.956 1
1 574 . 11 1 1 A 56 56 THR HA H 56 4.309 4.978 -0.669 1
1 579 . 11 1 1 A 56 56 THR CA C 56 59.120 61.452 -2.332 1
1 580 . 11 1 1 A 56 56 THR CB C 56 70.754 72.267 -1.513 1
1 582 . 11 1 1 A 56 56 THR N N 56 107.946 110.852 -2.906 1
1 583 . 11 1 1 A 57 57 PHE H H 57 8.568 9.069 -0.501 1
1 584 . 11 1 1 A 57 57 PHE HA H 57 4.641 5.152 -0.511 1
1 592 . 11 1 1 A 57 57 PHE CA C 57 54.923 55.354 -0.431 1
1 593 . 11 1 1 A 57 57 PHE CB C 57 41.272 40.668 0.604 1
1 594 . 11 1 1 A 57 57 PHE N N 57 117.566 121.847 -4.281 1
1 595 . 11 1 1 A 58 58 PRO HA H 58 5.604 4.675 0.929 1
1 602 . 11 1 1 A 58 58 PRO CA C 58 62.749 62.651 0.098 1
1 603 . 11 1 1 A 58 58 PRO CB C 58 36.563 32.040 4.523 1
1 606 . 11 1 1 A 59 59 GLN H H 59 7.926 8.410 -0.484 1
1 607 . 11 1 1 A 59 59 GLN HA H 59 4.813 4.617 0.196 1
1 614 . 11 1 1 A 59 59 GLN CA C 59 55.111 54.956 0.155 1
1 615 . 11 1 1 A 59 59 GLN CB C 59 31.737 29.887 1.850 1
1 617 . 11 1 1 A 59 59 GLN N N 59 112.301 121.214 -8.913 1
1 619 . 11 1 1 A 60 60 ILE H H 60 8.936 8.882 0.054 1
1 620 . 11 1 1 A 60 60 ILE HA H 60 4.933 4.342 0.591 1
1 630 . 11 1 1 A 60 60 ILE CA C 60 61.288 60.038 1.250 1
1 631 . 11 1 1 A 60 60 ILE CB C 60 40.912 38.919 1.993 1
1 635 . 11 1 1 A 60 60 ILE N N 60 123.133 123.752 -0.619 1
1 636 . 11 1 1 A 61 61 PHE H H 61 9.629 8.918 0.711 1
1 637 . 11 1 1 A 61 61 PHE HA H 61 5.354 5.205 0.149 1
1 645 . 11 1 1 A 61 61 PHE CA C 61 56.630 56.929 -0.299 1
1 646 . 11 1 1 A 61 61 PHE CB C 61 41.883 40.648 1.235 1
1 647 . 11 1 1 A 61 61 PHE N N 61 128.347 126.414 1.933 1
1 648 . 11 1 1 A 62 62 ILE H H 62 9.070 8.899 0.171 1
1 649 . 11 1 1 A 62 62 ILE HA H 62 4.587 4.592 -0.005 1
1 659 . 11 1 1 A 62 62 ILE CA C 62 60.903 60.160 0.743 1
1 660 . 11 1 1 A 62 62 ILE CB C 62 39.789 40.229 -0.440 1
1 664 . 11 1 1 A 62 62 ILE N N 62 122.709 123.725 -1.016 1
1 665 . 11 1 1 A 63 63 GLY H H 63 9.303 8.634 0.669 1
1 666 . 11 1 1 A 63 63 GLY HA2 H 63 3.889 3.903 -0.014 1
1 667 . 11 1 1 A 63 63 GLY HA3 H 63 4.081 3.905 0.176 1
1 668 . 11 1 1 A 63 63 GLY CA C 63 47.216 47.360 -0.144 1
1 669 . 11 1 1 A 63 63 GLY N N 63 116.351 117.712 -1.361 1
1 670 . 11 1 1 A 64 64 SER H H 64 9.242 8.361 0.881 1
1 671 . 11 1 1 A 64 64 SER HA H 64 4.525 4.581 -0.056 1
1 674 . 11 1 1 A 64 64 SER CA C 64 59.046 58.148 0.898 1
1 675 . 11 1 1 A 64 64 SER CB C 64 63.900 64.352 -0.452 1
1 676 . 11 1 1 A 64 64 SER N N 64 122.307 121.539 0.768 1
1 677 . 11 1 1 A 65 65 VAL H H 65 8.475 7.629 0.846 1
1 678 . 11 1 1 A 65 65 VAL HA H 65 4.013 4.782 -0.769 1
1 686 . 11 1 1 A 65 65 VAL CA C 65 62.737 60.468 2.269 1
1 687 . 11 1 1 A 65 65 VAL CB C 65 33.308 35.676 -2.368 1
1 690 . 11 1 1 A 65 65 VAL N N 65 124.659 121.547 3.112 1
1 691 . 11 1 1 A 66 66 HIS H H 66 8.968 8.974 -0.006 1
1 692 . 11 1 1 A 66 66 HIS HA H 66 4.337 5.145 -0.808 1
1 698 . 11 1 1 A 66 66 HIS CA C 66 54.409 54.545 -0.136 1
1 699 . 11 1 1 A 66 66 HIS CB C 66 31.099 30.575 0.524 1
1 700 . 11 1 1 A 66 66 HIS N N 66 128.172 126.388 1.784 1
1 701 . 11 1 1 A 67 67 VAL H H 67 8.148 8.912 -0.764 1
1 702 . 11 1 1 A 67 67 VAL HA H 67 3.329 3.729 -0.400 1
1 710 . 11 1 1 A 67 67 VAL CA C 67 64.129 65.442 -1.313 1
1 711 . 11 1 1 A 67 67 VAL CB C 67 32.554 32.268 0.286 1
1 714 . 11 1 1 A 67 67 VAL N N 67 130.509 127.642 2.867 1
1 715 . 11 1 1 A 68 68 GLY H H 68 6.365 7.009 -0.644 1
1 716 . 11 1 1 A 68 68 GLY HA2 H 68 3.003 4.028 -1.025 1
1 717 . 11 1 1 A 68 68 GLY HA3 H 68 4.513 4.145 0.368 1
1 718 . 11 1 1 A 68 68 GLY CA C 68 43.722 46.093 -2.371 1
1 719 . 11 1 1 A 68 68 GLY N N 68 102.729 105.830 -3.101 1
1 720 . 11 1 1 A 69 69 GLY H H 69 9.087 8.391 0.696 1
1 721 . 11 1 1 A 69 69 GLY HA2 H 69 3.752 4.137 -0.385 1
1 722 . 11 1 1 A 69 69 GLY HA3 H 69 4.633 4.366 0.267 1
1 723 . 11 1 1 A 69 69 GLY CA C 69 43.851 45.942 -2.091 1
1 724 . 11 1 1 A 69 69 GLY N N 69 110.274 110.546 -0.272 1
1 725 . 11 1 1 A 70 70 CYS H H 70 8.467 8.874 -0.407 1
1 726 . 11 1 1 A 70 70 CYS HA H 70 3.806 4.105 -0.299 1
1 729 . 11 1 1 A 70 70 CYS CA C 70 63.366 62.505 0.861 1
1 730 . 11 1 1 A 70 70 CYS CB C 70 27.642 26.931 0.711 1
1 731 . 11 1 1 A 70 70 CYS N N 70 118.787 121.747 -2.960 1
1 732 . 11 1 1 A 71 71 ASP HA H 71 4.398 4.229 0.169 1
1 735 . 11 1 1 A 71 71 ASP CA C 71 57.405 57.490 -0.085 1
1 736 . 11 1 1 A 71 71 ASP CB C 71 39.058 40.344 -1.286 1
1 737 . 11 1 1 A 72 72 ASP H H 72 7.266 8.157 -0.891 1
1 738 . 11 1 1 A 72 72 ASP HA H 72 4.285 4.477 -0.192 1
1 741 . 11 1 1 A 72 72 ASP CA C 72 57.322 57.475 -0.153 1
1 742 . 11 1 1 A 72 72 ASP CB C 72 41.553 40.582 0.971 1
1 743 . 11 1 1 A 72 72 ASP N N 72 119.650 119.768 -0.118 1
1 744 . 11 1 1 A 73 73 LEU H H 73 7.755 8.250 -0.495 1
1 745 . 11 1 1 A 73 73 LEU HA H 73 3.736 4.051 -0.315 1
1 755 . 11 1 1 A 73 73 LEU CA C 73 58.272 57.743 0.529 1
1 756 . 11 1 1 A 73 73 LEU CB C 73 41.995 41.834 0.161 1
1 760 . 11 1 1 A 73 73 LEU N N 73 121.526 121.408 0.118 1
1 761 . 11 1 1 A 74 74 TYR H H 74 8.244 8.441 -0.197 1
1 762 . 11 1 1 A 74 74 TYR HA H 74 3.697 4.159 -0.462 1
1 769 . 11 1 1 A 74 74 TYR CA C 74 62.802 61.260 1.542 1
1 770 . 11 1 1 A 74 74 TYR CB C 74 37.819 38.016 -0.197 1
1 771 . 11 1 1 A 74 74 TYR N N 74 116.552 118.126 -1.574 1
1 772 . 11 1 1 A 75 75 ALA H H 75 8.169 8.272 -0.103 1
1 773 . 11 1 1 A 75 75 ALA HA H 75 4.286 4.170 0.116 1
1 777 . 11 1 1 A 75 75 ALA CA C 75 55.465 54.973 0.492 1
1 778 . 11 1 1 A 75 75 ALA CB C 75 17.722 18.525 -0.803 1
1 779 . 11 1 1 A 75 75 ALA N N 75 122.825 123.415 -0.590 1
1 780 . 11 1 1 A 76 76 LEU H H 76 7.353 8.439 -1.086 1
1 781 . 11 1 1 A 76 76 LEU HA H 76 4.003 4.057 -0.054 1
1 791 . 11 1 1 A 76 76 LEU CA C 76 57.687 57.791 -0.104 1
1 792 . 11 1 1 A 76 76 LEU CB C 76 42.753 41.493 1.260 1
1 796 . 11 1 1 A 76 76 LEU N N 76 116.756 120.585 -3.829 1
1 797 . 11 1 1 A 77 77 GLU H H 77 7.420 8.409 -0.989 1
1 798 . 11 1 1 A 77 77 GLU HA H 77 4.575 4.054 0.521 1
1 803 . 11 1 1 A 77 77 GLU CA C 77 57.962 58.923 -0.961 1
1 804 . 11 1 1 A 77 77 GLU CB C 77 28.292 28.757 -0.465 1
1 806 . 11 1 1 A 77 77 GLU N N 77 121.356 117.440 3.916 1
1 807 . 11 1 1 A 78 78 ASP H H 78 8.637 7.666 0.971 1
1 808 . 11 1 1 A 78 78 ASP HA H 78 4.399 4.376 0.023 1
1 811 . 11 1 1 A 78 78 ASP CA C 78 57.569 56.437 1.132 1
1 812 . 11 1 1 A 78 78 ASP CB C 78 40.715 40.927 -0.212 1
1 813 . 11 1 1 A 78 78 ASP N N 78 123.396 120.686 2.710 1
1 814 . 11 1 1 A 79 79 GLU H H 79 7.773 8.057 -0.284 1
1 815 . 11 1 1 A 79 79 GLU HA H 79 4.283 4.369 -0.086 1
1 820 . 11 1 1 A 79 79 GLU CA C 79 56.357 56.124 0.233 1
1 821 . 11 1 1 A 79 79 GLU CB C 79 30.855 30.412 0.443 1
1 823 . 11 1 1 A 79 79 GLU N N 79 115.336 116.346 -1.010 1
1 824 . 11 1 1 A 80 80 GLY H H 80 8.050 7.787 0.263 1
1 825 . 11 1 1 A 80 80 GLY HA2 H 80 4.031 3.876 0.155 1
1 826 . 11 1 1 A 80 80 GLY HA3 H 80 4.031 3.876 0.155 1
1 827 . 11 1 1 A 80 80 GLY CA C 80 46.314 46.591 -0.277 1
1 828 . 11 1 1 A 80 80 GLY N N 80 108.957 108.525 0.432 1
1 829 . 11 1 1 A 81 81 LYS H H 81 8.188 7.479 0.709 1
1 830 . 11 1 1 A 81 81 LYS HA H 81 4.415 4.358 0.057 1
1 839 . 11 1 1 A 81 81 LYS CA C 81 56.716 56.833 -0.117 1
1 840 . 11 1 1 A 81 81 LYS CB C 81 35.935 32.938 2.997 1
1 844 . 11 1 1 A 81 81 LYS N N 81 116.879 118.937 -2.058 1
1 845 . 11 1 1 A 82 82 LEU H H 82 7.499 7.723 -0.224 1
1 846 . 11 1 1 A 82 82 LEU HA H 82 3.977 3.981 -0.004 1
1 856 . 11 1 1 A 82 82 LEU CA C 82 57.480 58.021 -0.541 1
1 857 . 11 1 1 A 82 82 LEU CB C 82 40.489 41.473 -0.984 1
1 861 . 11 1 1 A 82 82 LEU N N 82 122.734 119.736 2.998 1
1 862 . 11 1 1 A 83 83 ASP H H 83 8.625 8.384 0.241 1
1 863 . 11 1 1 A 83 83 ASP HA H 83 4.248 4.341 -0.093 1
1 866 . 11 1 1 A 83 83 ASP CA C 83 58.680 57.612 1.068 1
1 867 . 11 1 1 A 83 83 ASP CB C 83 40.149 40.679 -0.530 1
1 868 . 11 1 1 A 83 83 ASP N N 83 119.728 120.608 -0.880 1
1 869 . 11 1 1 A 84 84 SER H H 84 8.426 7.988 0.438 1
1 870 . 11 1 1 A 84 84 SER HA H 84 4.219 4.284 -0.065 1
1 873 . 11 1 1 A 84 84 SER CA C 84 61.473 61.898 -0.425 1
1 874 . 11 1 1 A 84 84 SER CB C 84 62.589 62.951 -0.362 1
1 875 . 11 1 1 A 84 84 SER N N 84 113.454 115.610 -2.156 1
1 876 . 11 1 1 A 85 85 LEU H H 85 7.551 8.096 -0.545 1
1 877 . 11 1 1 A 85 85 LEU HA H 85 4.319 4.071 0.248 1
1 887 . 11 1 1 A 85 85 LEU CA C 85 58.355 57.904 0.451 1
1 888 . 11 1 1 A 85 85 LEU CB C 85 41.588 41.724 -0.136 1
1 892 . 11 1 1 A 85 85 LEU N N 85 126.500 121.532 4.968 1
1 893 . 11 1 1 A 86 86 LEU H H 86 8.382 8.016 0.366 1
1 894 . 11 1 1 A 86 86 LEU HA H 86 3.827 4.097 -0.270 1
1 904 . 11 1 1 A 86 86 LEU CA C 86 57.826 57.679 0.147 1
1 905 . 11 1 1 A 86 86 LEU CB C 86 41.840 41.380 0.460 1
1 909 . 11 1 1 A 86 86 LEU N N 86 117.962 116.704 1.258 1
1 910 . 11 1 1 A 87 87 LYS H H 87 7.522 7.851 -0.329 1
1 911 . 11 1 1 A 87 87 LYS HA H 87 4.331 4.108 0.223 1
1 920 . 11 1 1 A 87 87 LYS CA C 87 58.325 59.322 -0.997 1
1 921 . 11 1 1 A 87 87 LYS CB C 87 34.043 32.883 1.160 1
1 925 . 11 1 1 A 87 87 LYS N N 87 114.198 118.678 -4.480 1
1 926 . 11 1 1 A 88 88 THR H H 88 8.165 8.313 -0.148 1
1 927 . 11 1 1 A 88 88 THR HA H 88 4.507 4.429 0.078 1
1 932 . 11 1 1 A 88 88 THR CA C 88 62.385 62.590 -0.205 1
1 933 . 11 1 1 A 88 88 THR CB C 88 72.525 70.521 2.004 1
1 935 . 11 1 1 A 88 88 THR N N 88 106.021 108.213 -2.192 1
1 936 . 11 1 1 A 89 89 GLY H H 89 9.139 8.712 0.427 1
1 937 . 11 1 1 A 89 89 GLY HA2 H 89 3.612 3.927 -0.315 1
1 938 . 11 1 1 A 89 89 GLY HA3 H 89 4.204 3.932 0.272 1
1 939 . 11 1 1 A 89 89 GLY CA C 89 46.770 45.681 1.089 1
1 940 . 11 1 1 A 89 89 GLY N N 89 112.926 112.113 0.813 1
1 941 . 11 1 1 A 90 90 LYS H H 90 7.933 7.595 0.338 1
1 942 . 11 1 1 A 90 90 LYS HA H 90 4.459 4.920 -0.461 1
1 951 . 11 1 1 A 90 90 LYS CA C 90 54.576 54.156 0.420 1
1 952 . 11 1 1 A 90 90 LYS CB C 90 35.788 36.140 -0.352 1
1 956 . 11 1 1 A 90 90 LYS N N 90 117.810 120.300 -2.490 1
1 957 . 11 1 1 A 91 91 LEU H H 91 8.487 8.517 -0.030 1
1 958 . 11 1 1 A 91 91 LEU HA H 91 4.423 4.289 0.134 1
1 968 . 11 1 1 A 91 91 LEU CA C 91 54.491 55.281 -0.790 1
1 969 . 11 1 1 A 91 91 LEU CB C 91 43.083 42.528 0.555 1
1 973 . 11 1 1 A 91 91 LEU N N 91 123.364 120.760 2.604 1
1 1 . 12 1 1 A 2 2 PRO HA H 2 4.444 4.437 0.007 1
1 8 . 12 1 1 A 2 2 PRO CA C 2 63.468 64.783 -1.315 1
1 9 . 12 1 1 A 2 2 PRO CB C 2 32.153 32.160 -0.007 1
1 12 . 12 1 1 A 3 3 GLY H H 3 8.672 7.974 0.698 1
1 13 . 12 1 1 A 3 3 GLY HA2 H 3 4.759 4.194 0.565 1
1 14 . 12 1 1 A 3 3 GLY HA3 H 3 4.759 4.194 0.565 1
1 15 . 12 1 1 A 3 3 GLY CA C 3 45.323 45.448 -0.125 1
1 16 . 12 1 1 A 3 3 GLY N N 3 110.465 105.080 5.385 1
1 17 . 12 1 1 A 4 4 SER H H 4 8.201 8.659 -0.458 1
1 18 . 12 1 1 A 4 4 SER HA H 4 4.454 4.594 -0.140 1
1 21 . 12 1 1 A 4 4 SER CA C 4 58.370 57.552 0.818 1
1 22 . 12 1 1 A 4 4 SER CB C 4 64.049 61.321 2.728 1
1 23 . 12 1 1 A 4 4 SER N N 4 115.747 123.065 -7.318 1
1 24 . 12 1 1 A 5 5 MET H H 5 8.315 7.593 0.722 1
1 25 . 12 1 1 A 5 5 MET HA H 5 4.675 5.424 -0.749 1
1 30 . 12 1 1 A 5 5 MET CA C 5 55.466 54.163 1.303 1
1 31 . 12 1 1 A 5 5 MET CB C 5 34.462 38.420 -3.958 1
1 33 . 12 1 1 A 5 5 MET N N 5 121.679 122.516 -0.837 1
1 34 . 12 1 1 A 6 6 VAL H H 6 8.169 8.805 -0.636 1
1 35 . 12 1 1 A 6 6 VAL HA H 6 4.141 4.799 -0.658 1
1 43 . 12 1 1 A 6 6 VAL CA C 6 61.395 59.452 1.943 1
1 44 . 12 1 1 A 6 6 VAL CB C 6 32.669 35.942 -3.273 1
1 47 . 12 1 1 A 6 6 VAL N N 6 118.330 115.471 2.859 1
1 48 . 12 1 1 A 7 7 ASP H H 7 8.335 8.725 -0.390 1
1 49 . 12 1 1 A 7 7 ASP HA H 7 4.526 4.677 -0.151 1
1 52 . 12 1 1 A 7 7 ASP CA C 7 55.023 54.866 0.157 1
1 53 . 12 1 1 A 7 7 ASP CB C 7 41.455 40.916 0.539 1
1 54 . 12 1 1 A 7 7 ASP N N 7 122.032 122.992 -0.960 1
1 55 . 12 1 1 A 8 8 VAL H H 8 8.662 8.970 -0.308 1
1 56 . 12 1 1 A 8 8 VAL HA H 8 4.947 5.022 -0.075 1
1 64 . 12 1 1 A 8 8 VAL CA C 8 61.415 61.431 -0.016 1
1 65 . 12 1 1 A 8 8 VAL CB C 8 33.703 33.479 0.224 1
1 68 . 12 1 1 A 8 8 VAL N N 8 124.216 125.794 -1.578 1
1 69 . 12 1 1 A 9 9 ILE H H 9 9.311 9.319 -0.008 1
1 70 . 12 1 1 A 9 9 ILE HA H 9 4.963 5.110 -0.147 1
1 80 . 12 1 1 A 9 9 ILE CA C 9 59.648 59.766 -0.118 1
1 81 . 12 1 1 A 9 9 ILE CB C 9 41.374 41.249 0.125 1
1 85 . 12 1 1 A 9 9 ILE N N 9 129.869 127.288 2.581 1
1 86 . 12 1 1 A 10 10 ILE H H 10 8.720 9.314 -0.594 1
1 87 . 12 1 1 A 10 10 ILE HA H 10 5.442 5.347 0.095 1
1 97 . 12 1 1 A 10 10 ILE CA C 10 58.153 58.376 -0.223 1
1 98 . 12 1 1 A 10 10 ILE CB C 10 41.947 41.156 0.791 1
1 102 . 12 1 1 A 10 10 ILE N N 10 123.598 128.865 -5.267 1
1 103 . 12 1 1 A 11 11 TYR H H 11 9.340 9.010 0.330 1
1 104 . 12 1 1 A 11 11 TYR HA H 11 5.667 5.539 0.128 1
1 111 . 12 1 1 A 11 11 TYR CA C 11 57.300 56.376 0.924 1
1 112 . 12 1 1 A 11 11 TYR CB C 11 40.550 40.469 0.081 1
1 113 . 12 1 1 A 11 11 TYR N N 11 128.888 128.154 0.734 1
1 114 . 12 1 1 A 12 12 THR H H 12 9.374 8.772 0.602 1
1 115 . 12 1 1 A 12 12 THR HA H 12 5.277 5.034 0.243 1
1 120 . 12 1 1 A 12 12 THR CA C 12 59.567 59.846 -0.279 1
1 121 . 12 1 1 A 12 12 THR CB C 12 72.183 72.417 -0.234 1
1 123 . 12 1 1 A 12 12 THR N N 12 112.083 114.072 -1.989 1
1 124 . 12 1 1 A 13 13 ARG H H 13 7.379 7.993 -0.614 1
1 125 . 12 1 1 A 13 13 ARG HA H 13 4.779 4.807 -0.028 1
1 132 . 12 1 1 A 13 13 ARG CA C 13 52.961 53.724 -0.763 1
1 133 . 12 1 1 A 13 13 ARG CB C 13 31.374 31.647 -0.273 1
1 136 . 12 1 1 A 13 13 ARG N N 13 113.131 120.340 -7.209 1
1 137 . 12 1 1 A 14 14 PRO HA H 14 4.276 4.508 -0.232 1
1 144 . 12 1 1 A 14 14 PRO CA C 14 63.498 62.701 0.797 1
1 145 . 12 1 1 A 14 14 PRO CB C 14 32.015 29.540 2.475 1
1 148 . 12 1 1 A 15 15 GLY H H 15 8.672 8.526 0.146 1
1 149 . 12 1 1 A 15 15 GLY HA2 H 15 3.946 4.118 -0.172 1
1 150 . 12 1 1 A 15 15 GLY HA3 H 15 3.946 4.121 -0.175 1
1 151 . 12 1 1 A 15 15 GLY N N 15 110.274 112.837 -2.563 1
1 152 . 12 1 1 A 16 16 CYS H H 16 6.985 7.749 -0.764 1
1 153 . 12 1 1 A 16 16 CYS HA H 16 4.769 4.935 -0.166 1
1 156 . 12 1 1 A 16 16 CYS CA C 16 56.315 56.885 -0.570 1
1 157 . 12 1 1 A 16 16 CYS CB C 16 31.724 31.096 0.628 1
1 158 . 12 1 1 A 16 16 CYS N N 16 124.357 116.162 8.195 1
1 159 . 12 1 1 A 17 17 PRO HA H 17 4.417 4.301 0.116 1
1 166 . 12 1 1 A 17 17 PRO CA C 17 64.516 65.103 -0.587 1
1 167 . 12 1 1 A 17 17 PRO CB C 17 32.205 31.813 0.392 1
1 170 . 12 1 1 A 18 18 TYR H H 18 9.273 7.779 1.494 1
1 171 . 12 1 1 A 18 18 TYR HA H 18 4.375 4.348 0.027 1
1 178 . 12 1 1 A 18 18 TYR CA C 18 61.227 61.087 0.140 1
1 179 . 12 1 1 A 18 18 TYR CB C 18 38.025 37.486 0.539 1
1 180 . 12 1 1 A 18 18 TYR N N 18 127.619 117.363 10.256 1
1 181 . 12 1 1 A 19 19 CYS H H 19 9.854 8.313 1.541 1
1 182 . 12 1 1 A 19 19 CYS HA H 19 3.870 4.082 -0.212 1
1 185 . 12 1 1 A 19 19 CYS CA C 19 64.810 63.077 1.733 1
1 186 . 12 1 1 A 19 19 CYS CB C 19 29.498 27.421 2.077 1
1 187 . 12 1 1 A 19 19 CYS N N 19 128.016 118.281 9.735 1
1 188 . 12 1 1 A 20 20 ALA H H 20 7.948 7.913 0.035 1
1 189 . 12 1 1 A 20 20 ALA HA H 20 3.995 4.010 -0.015 1
1 193 . 12 1 1 A 20 20 ALA CA C 20 55.804 55.381 0.423 1
1 194 . 12 1 1 A 20 20 ALA CB C 20 18.201 18.594 -0.393 1
1 195 . 12 1 1 A 20 20 ALA N N 20 121.373 122.499 -1.126 1
1 196 . 12 1 1 A 21 21 ARG H H 21 8.064 8.022 0.042 1
1 197 . 12 1 1 A 21 21 ARG HA H 21 4.159 4.048 0.111 1
1 204 . 12 1 1 A 21 21 ARG CA C 21 59.500 59.358 0.142 1
1 205 . 12 1 1 A 21 21 ARG CB C 21 30.535 30.192 0.343 1
1 208 . 12 1 1 A 21 21 ARG N N 21 119.886 117.790 2.096 1
1 209 . 12 1 1 A 22 22 ALA H H 22 8.342 7.935 0.407 1
1 210 . 12 1 1 A 22 22 ALA HA H 22 4.174 4.144 0.030 1
1 214 . 12 1 1 A 22 22 ALA CA C 22 55.658 55.174 0.484 1
1 215 . 12 1 1 A 22 22 ALA CB C 22 19.485 18.417 1.068 1
1 216 . 12 1 1 A 22 22 ALA N N 22 125.852 121.885 3.967 1
1 217 . 12 1 1 A 23 23 LYS H H 23 7.968 8.292 -0.324 1
1 218 . 12 1 1 A 23 23 LYS HA H 23 3.243 3.806 -0.563 1
1 227 . 12 1 1 A 23 23 LYS CA C 23 60.699 59.373 1.326 1
1 228 . 12 1 1 A 23 23 LYS CB C 23 31.640 32.346 -0.706 1
1 232 . 12 1 1 A 23 23 LYS N N 23 116.539 117.756 -1.217 1
1 233 . 12 1 1 A 24 24 ALA H H 24 8.027 8.192 -0.165 1
1 234 . 12 1 1 A 24 24 ALA HA H 24 4.152 4.100 0.052 1
1 238 . 12 1 1 A 24 24 ALA CA C 24 55.067 55.047 0.020 1
1 239 . 12 1 1 A 24 24 ALA CB C 24 18.039 18.442 -0.403 1
1 240 . 12 1 1 A 24 24 ALA N N 24 120.099 122.009 -1.910 1
1 241 . 12 1 1 A 25 25 LEU H H 25 7.184 8.064 -0.880 1
1 242 . 12 1 1 A 25 25 LEU HA H 25 4.089 4.058 0.031 1
1 252 . 12 1 1 A 25 25 LEU CA C 25 57.761 57.461 0.300 1
1 253 . 12 1 1 A 25 25 LEU CB C 25 40.444 41.254 -0.810 1
1 257 . 12 1 1 A 25 25 LEU N N 25 119.676 119.671 0.005 1
1 258 . 12 1 1 A 26 26 LEU H H 26 7.477 8.161 -0.684 1
1 259 . 12 1 1 A 26 26 LEU HA H 26 3.701 4.016 -0.315 1
1 269 . 12 1 1 A 26 26 LEU CA C 26 58.523 57.841 0.682 1
1 270 . 12 1 1 A 26 26 LEU CB C 26 41.105 40.035 1.070 1
1 274 . 12 1 1 A 26 26 LEU N N 26 117.225 118.381 -1.156 1
1 275 . 12 1 1 A 27 27 ALA H H 27 8.657 8.101 0.556 1
1 276 . 12 1 1 A 27 27 ALA HA H 27 4.368 4.193 0.175 1
1 280 . 12 1 1 A 27 27 ALA CA C 27 55.066 55.043 0.023 1
1 281 . 12 1 1 A 27 27 ALA CB C 27 18.137 18.352 -0.215 1
1 282 . 12 1 1 A 27 27 ALA N N 27 119.692 122.156 -2.464 1
1 283 . 12 1 1 A 28 28 ARG H H 28 8.048 7.629 0.419 1
1 284 . 12 1 1 A 28 28 ARG HA H 28 4.110 4.040 0.070 1
1 291 . 12 1 1 A 28 28 ARG CA C 28 59.249 59.542 -0.293 1
1 292 . 12 1 1 A 28 28 ARG CB C 28 29.962 30.013 -0.051 1
1 295 . 12 1 1 A 28 28 ARG N N 28 121.433 119.091 2.342 1
1 296 . 12 1 1 A 29 29 LYS H H 29 7.660 7.890 -0.230 1
1 297 . 12 1 1 A 29 29 LYS HA H 29 4.192 4.239 -0.047 1
1 306 . 12 1 1 A 29 29 LYS CA C 29 54.864 55.846 -0.982 1
1 307 . 12 1 1 A 29 29 LYS CB C 29 31.476 32.177 -0.701 1
1 311 . 12 1 1 A 29 29 LYS N N 29 115.942 115.709 0.233 1
1 312 . 12 1 1 A 30 30 GLY H H 30 7.919 7.895 0.024 1
1 313 . 12 1 1 A 30 30 GLY HA2 H 30 3.734 3.943 -0.209 1
1 314 . 12 1 1 A 30 30 GLY HA3 H 30 4.013 3.944 0.069 1
1 315 . 12 1 1 A 30 30 GLY CA C 30 45.497 45.647 -0.150 1
1 316 . 12 1 1 A 30 30 GLY N N 30 107.837 109.177 -1.340 1
1 317 . 12 1 1 A 31 31 ALA H H 31 7.830 7.871 -0.041 1
1 318 . 12 1 1 A 31 31 ALA HA H 31 4.446 4.310 0.136 1
1 322 . 12 1 1 A 31 31 ALA CA C 31 51.562 52.340 -0.778 1
1 323 . 12 1 1 A 31 31 ALA CB C 31 19.964 19.180 0.784 1
1 324 . 12 1 1 A 31 31 ALA N N 31 122.333 123.851 -1.518 1
1 325 . 12 1 1 A 32 32 GLU H H 32 8.322 8.684 -0.362 1
1 326 . 12 1 1 A 32 32 GLU HA H 32 4.173 4.355 -0.182 1
1 331 . 12 1 1 A 32 32 GLU CA C 32 55.621 56.684 -1.063 1
1 332 . 12 1 1 A 32 32 GLU CB C 32 29.734 30.014 -0.280 1
1 334 . 12 1 1 A 32 32 GLU N N 32 124.383 123.796 0.587 1
1 335 . 12 1 1 A 33 33 PHE H H 33 7.623 8.573 -0.950 1
1 336 . 12 1 1 A 33 33 PHE HA H 33 5.151 5.267 -0.116 1
1 344 . 12 1 1 A 33 33 PHE CA C 33 55.106 55.692 -0.586 1
1 345 . 12 1 1 A 33 33 PHE CB C 33 41.937 42.119 -0.182 1
1 346 . 12 1 1 A 33 33 PHE N N 33 116.953 119.163 -2.210 1
1 347 . 12 1 1 A 34 34 ASN H H 34 8.938 9.298 -0.360 1
1 348 . 12 1 1 A 34 34 ASN HA H 34 4.897 5.042 -0.145 1
1 353 . 12 1 1 A 34 34 ASN CA C 34 52.081 52.629 -0.548 1
1 354 . 12 1 1 A 34 34 ASN CB C 34 39.784 40.010 -0.226 1
1 355 . 12 1 1 A 34 34 ASN N N 34 120.410 120.052 0.358 1
1 357 . 12 1 1 A 35 35 GLU H H 35 8.764 9.010 -0.246 1
1 358 . 12 1 1 A 35 35 GLU HA H 35 5.135 4.954 0.181 1
1 363 . 12 1 1 A 35 35 GLU CA C 35 54.519 56.059 -1.540 1
1 364 . 12 1 1 A 35 35 GLU CB C 35 31.306 30.824 0.482 1
1 366 . 12 1 1 A 35 35 GLU N N 35 126.769 127.659 -0.890 1
1 367 . 12 1 1 A 36 36 ILE H H 36 8.975 8.728 0.247 1
1 368 . 12 1 1 A 36 36 ILE HA H 36 4.108 4.739 -0.631 1
1 378 . 12 1 1 A 36 36 ILE CA C 36 60.156 59.130 1.026 1
1 379 . 12 1 1 A 36 36 ILE CB C 36 40.382 42.097 -1.715 1
1 383 . 12 1 1 A 36 36 ILE N N 36 130.393 127.159 3.234 1
1 384 . 12 1 1 A 37 37 ASP H H 37 8.494 8.366 0.128 1
1 385 . 12 1 1 A 37 37 ASP HA H 37 4.965 5.050 -0.085 1
1 388 . 12 1 1 A 37 37 ASP CA C 37 52.537 52.825 -0.288 1
1 389 . 12 1 1 A 37 37 ASP CB C 37 39.350 42.003 -2.653 1
1 390 . 12 1 1 A 37 37 ASP N N 37 125.910 124.050 1.860 1
1 391 . 12 1 1 A 38 38 ALA H H 38 8.764 8.134 0.630 1
1 392 . 12 1 1 A 38 38 ALA HA H 38 4.621 4.256 0.365 1
1 396 . 12 1 1 A 38 38 ALA CA C 38 51.729 53.048 -1.319 1
1 397 . 12 1 1 A 38 38 ALA CB C 38 20.588 20.631 -0.043 1
1 398 . 12 1 1 A 38 38 ALA N N 38 130.164 122.590 7.574 1
1 399 . 12 1 1 A 39 39 SER H H 39 8.668 7.989 0.679 1
1 400 . 12 1 1 A 39 39 SER HA H 39 4.469 4.176 0.293 1
1 403 . 12 1 1 A 39 39 SER CA C 39 59.342 60.977 -1.635 1
1 404 . 12 1 1 A 39 39 SER CB C 39 64.938 63.082 1.856 1
1 405 . 12 1 1 A 39 39 SER N N 39 111.397 113.948 -2.551 1
1 406 . 12 1 1 A 40 40 ALA H H 40 7.466 7.660 -0.194 1
1 407 . 12 1 1 A 40 40 ALA HA H 40 4.136 4.092 0.044 1
1 411 . 12 1 1 A 40 40 ALA CA C 40 55.000 55.078 -0.078 1
1 412 . 12 1 1 A 40 40 ALA CB C 40 20.463 18.967 1.496 1
1 413 . 12 1 1 A 40 40 ALA N N 40 124.335 121.859 2.476 1
1 414 . 12 1 1 A 41 41 THR H H 41 7.098 7.268 -0.170 1
1 415 . 12 1 1 A 41 41 THR HA H 41 4.978 4.880 0.098 1
1 420 . 12 1 1 A 41 41 THR CA C 41 57.841 58.801 -0.960 1
1 421 . 12 1 1 A 41 41 THR CB C 41 70.742 71.042 -0.300 1
1 423 . 12 1 1 A 41 41 THR N N 41 105.166 107.725 -2.559 1
1 424 . 12 1 1 A 42 42 PRO HA H 42 4.299 4.345 -0.046 1
1 431 . 12 1 1 A 42 42 PRO CA C 42 64.586 65.351 -0.765 1
1 432 . 12 1 1 A 42 42 PRO CB C 42 31.963 31.949 0.014 1
1 435 . 12 1 1 A 43 43 GLU H H 43 8.997 8.071 0.926 1
1 436 . 12 1 1 A 43 43 GLU HA H 43 4.052 4.120 -0.068 1
1 441 . 12 1 1 A 43 43 GLU CA C 43 60.694 59.648 1.046 1
1 442 . 12 1 1 A 43 43 GLU CB C 43 28.709 29.675 -0.966 1
1 444 . 12 1 1 A 43 43 GLU N N 43 118.804 118.250 0.554 1
1 445 . 12 1 1 A 44 44 LEU H H 44 7.882 8.511 -0.629 1
1 446 . 12 1 1 A 44 44 LEU HA H 44 4.285 4.097 0.188 1
1 456 . 12 1 1 A 44 44 LEU CA C 44 57.573 57.850 -0.277 1
1 457 . 12 1 1 A 44 44 LEU CB C 44 42.548 41.083 1.465 1
1 461 . 12 1 1 A 44 44 LEU N N 44 122.381 120.110 2.271 1
1 462 . 12 1 1 A 45 45 ARG H H 45 7.709 7.779 -0.070 1
1 463 . 12 1 1 A 45 45 ARG HA H 45 4.026 4.145 -0.119 1
1 470 . 12 1 1 A 45 45 ARG CA C 45 60.055 58.935 1.120 1
1 471 . 12 1 1 A 45 45 ARG CB C 45 29.943 29.551 0.392 1
1 474 . 12 1 1 A 45 45 ARG N N 45 122.487 121.127 1.360 1
1 475 . 12 1 1 A 46 46 ALA H H 46 8.144 8.310 -0.166 1
1 476 . 12 1 1 A 46 46 ALA HA H 46 4.074 4.063 0.011 1
1 480 . 12 1 1 A 46 46 ALA CA C 46 54.865 55.479 -0.614 1
1 481 . 12 1 1 A 46 46 ALA CB C 46 17.777 18.355 -0.578 1
1 482 . 12 1 1 A 46 46 ALA N N 46 121.132 122.308 -1.176 1
1 483 . 12 1 1 A 47 47 GLU H H 47 7.902 8.308 -0.406 1
1 484 . 12 1 1 A 47 47 GLU HA H 47 3.995 4.132 -0.137 1
1 489 . 12 1 1 A 47 47 GLU CA C 47 59.524 59.115 0.409 1
1 490 . 12 1 1 A 47 47 GLU CB C 47 29.915 29.020 0.895 1
1 492 . 12 1 1 A 47 47 GLU N N 47 121.104 116.656 4.448 1
1 493 . 12 1 1 A 48 48 MET H H 48 7.984 8.059 -0.075 1
1 494 . 12 1 1 A 48 48 MET HA H 48 2.786 4.267 -1.481 1
1 499 . 12 1 1 A 48 48 MET CA C 48 59.662 58.587 1.075 1
1 500 . 12 1 1 A 48 48 MET CB C 48 33.701 32.085 1.616 1
1 502 . 12 1 1 A 48 48 MET N N 48 118.769 120.338 -1.569 1
1 503 . 12 1 1 A 49 49 GLN H H 49 8.209 7.686 0.523 1
1 504 . 12 1 1 A 49 49 GLN HA H 49 4.299 4.292 0.007 1
1 511 . 12 1 1 A 49 49 GLN CA C 49 58.669 58.088 0.581 1
1 512 . 12 1 1 A 49 49 GLN CB C 49 28.742 28.589 0.153 1
1 514 . 12 1 1 A 49 49 GLN N N 49 122.155 118.313 3.842 1
1 516 . 12 1 1 A 50 50 GLU H H 50 8.671 7.692 0.979 1
1 517 . 12 1 1 A 50 50 GLU HA H 50 3.904 4.146 -0.242 1
1 522 . 12 1 1 A 50 50 GLU CA C 50 59.156 58.843 0.313 1
1 523 . 12 1 1 A 50 50 GLU CB C 50 29.504 29.453 0.051 1
1 525 . 12 1 1 A 50 50 GLU N N 50 122.081 120.513 1.568 1
1 526 . 12 1 1 A 51 51 ARG H H 51 8.244 7.955 0.289 1
1 527 . 12 1 1 A 51 51 ARG HA H 51 3.993 4.528 -0.535 1
1 534 . 12 1 1 A 51 51 ARG CA C 51 58.503 57.316 1.187 1
1 535 . 12 1 1 A 51 51 ARG CB C 51 31.363 31.405 -0.042 1
1 538 . 12 1 1 A 51 51 ARG N N 51 115.848 118.880 -3.032 1
1 539 . 12 1 1 A 52 52 SER H H 52 7.994 8.168 -0.174 1
1 540 . 12 1 1 A 52 52 SER HA H 52 3.674 4.211 -0.537 1
1 543 . 12 1 1 A 52 52 SER CA C 52 58.897 59.196 -0.299 1
1 544 . 12 1 1 A 52 52 SER CB C 52 66.908 64.286 2.622 1
1 545 . 12 1 1 A 52 52 SER N N 52 109.721 111.951 -2.230 1
1 546 . 12 1 1 A 53 53 GLY H H 53 8.205 8.851 -0.646 1
1 547 . 12 1 1 A 53 53 GLY HA2 H 53 3.815 3.907 -0.092 1
1 548 . 12 1 1 A 53 53 GLY HA3 H 53 4.063 3.931 0.132 1
1 549 . 12 1 1 A 53 53 GLY CA C 53 46.182 46.289 -0.107 1
1 550 . 12 1 1 A 53 53 GLY N N 53 112.716 111.556 1.160 1
1 551 . 12 1 1 A 54 54 ARG H H 54 8.323 7.400 0.923 1
1 552 . 12 1 1 A 54 54 ARG HA H 54 4.595 4.776 -0.181 1
1 559 . 12 1 1 A 54 54 ARG CA C 54 54.426 53.818 0.608 1
1 560 . 12 1 1 A 54 54 ARG CB C 54 35.418 34.313 1.105 1
1 563 . 12 1 1 A 54 54 ARG N N 54 119.629 119.396 0.233 1
1 564 . 12 1 1 A 55 55 ASN H H 55 8.184 8.908 -0.724 1
1 565 . 12 1 1 A 55 55 ASN HA H 55 4.692 4.515 0.177 1
1 570 . 12 1 1 A 55 55 ASN CA C 55 51.458 56.187 -4.729 1
1 571 . 12 1 1 A 55 55 ASN N N 55 112.763 119.173 -6.410 1
1 573 . 12 1 1 A 56 56 THR H H 56 6.730 7.677 -0.947 1
1 574 . 12 1 1 A 56 56 THR HA H 56 4.309 4.717 -0.408 1
1 579 . 12 1 1 A 56 56 THR CA C 56 59.120 61.013 -1.893 1
1 580 . 12 1 1 A 56 56 THR CB C 56 70.754 71.046 -0.292 1
1 582 . 12 1 1 A 56 56 THR N N 56 107.946 110.496 -2.550 1
1 583 . 12 1 1 A 57 57 PHE H H 57 8.568 9.022 -0.454 1
1 584 . 12 1 1 A 57 57 PHE HA H 57 4.641 5.049 -0.408 1
1 592 . 12 1 1 A 57 57 PHE CA C 57 54.923 55.291 -0.368 1
1 593 . 12 1 1 A 57 57 PHE CB C 57 41.272 40.492 0.780 1
1 594 . 12 1 1 A 57 57 PHE N N 57 117.566 118.237 -0.671 1
1 595 . 12 1 1 A 58 58 PRO HA H 58 5.604 4.605 0.999 1
1 602 . 12 1 1 A 58 58 PRO CA C 58 62.749 62.723 0.026 1
1 603 . 12 1 1 A 58 58 PRO CB C 58 36.563 32.070 4.493 1
1 606 . 12 1 1 A 59 59 GLN H H 59 7.926 8.255 -0.329 1
1 607 . 12 1 1 A 59 59 GLN HA H 59 4.813 4.886 -0.073 1
1 614 . 12 1 1 A 59 59 GLN CA C 59 55.111 54.511 0.600 1
1 615 . 12 1 1 A 59 59 GLN CB C 59 31.737 30.995 0.742 1
1 617 . 12 1 1 A 59 59 GLN N N 59 112.301 121.180 -8.879 1
1 619 . 12 1 1 A 60 60 ILE H H 60 8.936 8.904 0.032 1
1 620 . 12 1 1 A 60 60 ILE HA H 60 4.933 4.247 0.686 1
1 630 . 12 1 1 A 60 60 ILE CA C 60 61.288 60.123 1.165 1
1 631 . 12 1 1 A 60 60 ILE CB C 60 40.912 38.791 2.121 1
1 635 . 12 1 1 A 60 60 ILE N N 60 123.133 123.903 -0.770 1
1 636 . 12 1 1 A 61 61 PHE H H 61 9.629 8.951 0.678 1
1 637 . 12 1 1 A 61 61 PHE HA H 61 5.354 5.130 0.224 1
1 645 . 12 1 1 A 61 61 PHE CA C 61 56.630 57.092 -0.462 1
1 646 . 12 1 1 A 61 61 PHE CB C 61 41.883 40.399 1.484 1
1 647 . 12 1 1 A 61 61 PHE N N 61 128.347 126.772 1.575 1
1 648 . 12 1 1 A 62 62 ILE H H 62 9.070 8.931 0.139 1
1 649 . 12 1 1 A 62 62 ILE HA H 62 4.587 4.545 0.042 1
1 659 . 12 1 1 A 62 62 ILE CA C 62 60.903 60.141 0.762 1
1 660 . 12 1 1 A 62 62 ILE CB C 62 39.789 40.011 -0.222 1
1 664 . 12 1 1 A 62 62 ILE N N 62 122.709 123.890 -1.181 1
1 665 . 12 1 1 A 63 63 GLY H H 63 9.303 8.589 0.714 1
1 666 . 12 1 1 A 63 63 GLY HA2 H 63 3.889 3.877 0.012 1
1 667 . 12 1 1 A 63 63 GLY HA3 H 63 4.081 3.878 0.203 1
1 668 . 12 1 1 A 63 63 GLY CA C 63 47.216 47.349 -0.133 1
1 669 . 12 1 1 A 63 63 GLY N N 63 116.351 118.069 -1.718 1
1 670 . 12 1 1 A 64 64 SER H H 64 9.242 8.400 0.842 1
1 671 . 12 1 1 A 64 64 SER HA H 64 4.525 4.629 -0.104 1
1 674 . 12 1 1 A 64 64 SER CA C 64 59.046 57.579 1.467 1
1 675 . 12 1 1 A 64 64 SER CB C 64 63.900 63.952 -0.052 1
1 676 . 12 1 1 A 64 64 SER N N 64 122.307 121.268 1.039 1
1 677 . 12 1 1 A 65 65 VAL H H 65 8.475 7.630 0.845 1
1 678 . 12 1 1 A 65 65 VAL HA H 65 4.013 4.766 -0.753 1
1 686 . 12 1 1 A 65 65 VAL CA C 65 62.737 60.451 2.286 1
1 687 . 12 1 1 A 65 65 VAL CB C 65 33.308 35.669 -2.361 1
1 690 . 12 1 1 A 65 65 VAL N N 65 124.659 120.787 3.872 1
1 691 . 12 1 1 A 66 66 HIS H H 66 8.968 9.005 -0.037 1
1 692 . 12 1 1 A 66 66 HIS HA H 66 4.337 5.274 -0.937 1
1 698 . 12 1 1 A 66 66 HIS CA C 66 54.409 54.659 -0.250 1
1 699 . 12 1 1 A 66 66 HIS CB C 66 31.099 30.718 0.381 1
1 700 . 12 1 1 A 66 66 HIS N N 66 128.172 126.335 1.837 1
1 701 . 12 1 1 A 67 67 VAL H H 67 8.148 9.000 -0.852 1
1 702 . 12 1 1 A 67 67 VAL HA H 67 3.329 3.753 -0.424 1
1 710 . 12 1 1 A 67 67 VAL CA C 67 64.129 65.615 -1.486 1
1 711 . 12 1 1 A 67 67 VAL CB C 67 32.554 32.261 0.293 1
1 714 . 12 1 1 A 67 67 VAL N N 67 130.509 127.577 2.932 1
1 715 . 12 1 1 A 68 68 GLY H H 68 6.365 7.510 -1.145 1
1 716 . 12 1 1 A 68 68 GLY HA2 H 68 3.003 4.166 -1.163 1
1 717 . 12 1 1 A 68 68 GLY HA3 H 68 4.513 4.222 0.291 1
1 718 . 12 1 1 A 68 68 GLY CA C 68 43.722 45.663 -1.941 1
1 719 . 12 1 1 A 68 68 GLY N N 68 102.729 106.091 -3.362 1
1 720 . 12 1 1 A 69 69 GLY H H 69 9.087 8.468 0.619 1
1 721 . 12 1 1 A 69 69 GLY HA2 H 69 3.752 4.121 -0.369 1
1 722 . 12 1 1 A 69 69 GLY HA3 H 69 4.633 4.371 0.262 1
1 723 . 12 1 1 A 69 69 GLY CA C 69 43.851 44.717 -0.866 1
1 724 . 12 1 1 A 69 69 GLY N N 69 110.274 112.723 -2.449 1
1 725 . 12 1 1 A 70 70 CYS H H 70 8.467 9.019 -0.552 1
1 726 . 12 1 1 A 70 70 CYS HA H 70 3.806 4.332 -0.526 1
1 729 . 12 1 1 A 70 70 CYS CA C 70 63.366 62.767 0.599 1
1 730 . 12 1 1 A 70 70 CYS CB C 70 27.642 26.930 0.712 1
1 731 . 12 1 1 A 70 70 CYS N N 70 118.787 118.954 -0.167 1
1 732 . 12 1 1 A 71 71 ASP HA H 71 4.398 4.367 0.031 1
1 735 . 12 1 1 A 71 71 ASP CA C 71 57.405 57.829 -0.424 1
1 736 . 12 1 1 A 71 71 ASP CB C 71 39.058 41.623 -2.565 1
1 737 . 12 1 1 A 72 72 ASP H H 72 7.266 8.104 -0.838 1
1 738 . 12 1 1 A 72 72 ASP HA H 72 4.285 4.408 -0.123 1
1 741 . 12 1 1 A 72 72 ASP CA C 72 57.322 57.431 -0.109 1
1 742 . 12 1 1 A 72 72 ASP CB C 72 41.553 40.893 0.660 1
1 743 . 12 1 1 A 72 72 ASP N N 72 119.650 119.620 0.030 1
1 744 . 12 1 1 A 73 73 LEU H H 73 7.755 8.447 -0.692 1
1 745 . 12 1 1 A 73 73 LEU HA H 73 3.736 4.019 -0.283 1
1 755 . 12 1 1 A 73 73 LEU CA C 73 58.272 58.051 0.221 1
1 756 . 12 1 1 A 73 73 LEU CB C 73 41.995 41.582 0.413 1
1 760 . 12 1 1 A 73 73 LEU N N 73 121.526 121.610 -0.084 1
1 761 . 12 1 1 A 74 74 TYR H H 74 8.244 8.755 -0.511 1
1 762 . 12 1 1 A 74 74 TYR HA H 74 3.697 4.167 -0.470 1
1 769 . 12 1 1 A 74 74 TYR CA C 74 62.802 61.544 1.258 1
1 770 . 12 1 1 A 74 74 TYR CB C 74 37.819 37.173 0.646 1
1 771 . 12 1 1 A 74 74 TYR N N 74 116.552 117.693 -1.141 1
1 772 . 12 1 1 A 75 75 ALA H H 75 8.169 8.249 -0.080 1
1 773 . 12 1 1 A 75 75 ALA HA H 75 4.286 4.179 0.107 1
1 777 . 12 1 1 A 75 75 ALA CA C 75 55.465 54.988 0.477 1
1 778 . 12 1 1 A 75 75 ALA CB C 75 17.722 18.602 -0.880 1
1 779 . 12 1 1 A 75 75 ALA N N 75 122.825 122.768 0.057 1
1 780 . 12 1 1 A 76 76 LEU H H 76 7.353 8.433 -1.080 1
1 781 . 12 1 1 A 76 76 LEU HA H 76 4.003 4.039 -0.036 1
1 791 . 12 1 1 A 76 76 LEU CA C 76 57.687 57.633 0.054 1
1 792 . 12 1 1 A 76 76 LEU CB C 76 42.753 41.532 1.221 1
1 796 . 12 1 1 A 76 76 LEU N N 76 116.756 120.577 -3.821 1
1 797 . 12 1 1 A 77 77 GLU H H 77 7.420 8.343 -0.923 1
1 798 . 12 1 1 A 77 77 GLU HA H 77 4.575 4.035 0.540 1
1 803 . 12 1 1 A 77 77 GLU CA C 77 57.962 58.702 -0.740 1
1 804 . 12 1 1 A 77 77 GLU CB C 77 28.292 28.293 -0.001 1
1 806 . 12 1 1 A 77 77 GLU N N 77 121.356 117.840 3.516 1
1 807 . 12 1 1 A 78 78 ASP H H 78 8.637 7.733 0.904 1
1 808 . 12 1 1 A 78 78 ASP HA H 78 4.399 4.449 -0.050 1
1 811 . 12 1 1 A 78 78 ASP CA C 78 57.569 57.320 0.249 1
1 812 . 12 1 1 A 78 78 ASP CB C 78 40.715 41.205 -0.490 1
1 813 . 12 1 1 A 78 78 ASP N N 78 123.396 120.938 2.458 1
1 814 . 12 1 1 A 79 79 GLU H H 79 7.773 7.779 -0.006 1
1 815 . 12 1 1 A 79 79 GLU HA H 79 4.283 4.392 -0.109 1
1 820 . 12 1 1 A 79 79 GLU CA C 79 56.357 56.273 0.084 1
1 821 . 12 1 1 A 79 79 GLU CB C 79 30.855 30.753 0.102 1
1 823 . 12 1 1 A 79 79 GLU N N 79 115.336 116.198 -0.862 1
1 824 . 12 1 1 A 80 80 GLY H H 80 8.050 7.813 0.237 1
1 825 . 12 1 1 A 80 80 GLY HA2 H 80 4.031 3.984 0.047 1
1 826 . 12 1 1 A 80 80 GLY HA3 H 80 4.031 3.989 0.042 1
1 827 . 12 1 1 A 80 80 GLY CA C 80 46.314 46.043 0.271 1
1 828 . 12 1 1 A 80 80 GLY N N 80 108.957 108.148 0.809 1
1 829 . 12 1 1 A 81 81 LYS H H 81 8.188 7.939 0.249 1
1 830 . 12 1 1 A 81 81 LYS HA H 81 4.415 4.229 0.186 1
1 839 . 12 1 1 A 81 81 LYS CA C 81 56.716 58.483 -1.767 1
1 840 . 12 1 1 A 81 81 LYS CB C 81 35.935 32.780 3.155 1
1 844 . 12 1 1 A 81 81 LYS N N 81 116.879 118.584 -1.705 1
1 845 . 12 1 1 A 82 82 LEU H H 82 7.499 8.143 -0.644 1
1 846 . 12 1 1 A 82 82 LEU HA H 82 3.977 4.050 -0.073 1
1 856 . 12 1 1 A 82 82 LEU CA C 82 57.480 58.155 -0.675 1
1 857 . 12 1 1 A 82 82 LEU CB C 82 40.489 41.507 -1.018 1
1 861 . 12 1 1 A 82 82 LEU N N 82 122.734 121.581 1.153 1
1 862 . 12 1 1 A 83 83 ASP H H 83 8.625 8.240 0.385 1
1 863 . 12 1 1 A 83 83 ASP HA H 83 4.248 4.381 -0.133 1
1 866 . 12 1 1 A 83 83 ASP CA C 83 58.680 57.673 1.007 1
1 867 . 12 1 1 A 83 83 ASP CB C 83 40.149 41.909 -1.760 1
1 868 . 12 1 1 A 83 83 ASP N N 83 119.728 119.220 0.508 1
1 869 . 12 1 1 A 84 84 SER H H 84 8.426 7.775 0.651 1
1 870 . 12 1 1 A 84 84 SER HA H 84 4.219 4.310 -0.091 1
1 873 . 12 1 1 A 84 84 SER CA C 84 61.473 61.640 -0.167 1
1 874 . 12 1 1 A 84 84 SER CB C 84 62.589 63.275 -0.686 1
1 875 . 12 1 1 A 84 84 SER N N 84 113.454 116.066 -2.612 1
1 876 . 12 1 1 A 85 85 LEU H H 85 7.551 8.199 -0.648 1
1 877 . 12 1 1 A 85 85 LEU HA H 85 4.319 4.081 0.238 1
1 887 . 12 1 1 A 85 85 LEU CA C 85 58.355 57.723 0.632 1
1 888 . 12 1 1 A 85 85 LEU CB C 85 41.588 41.516 0.072 1
1 892 . 12 1 1 A 85 85 LEU N N 85 126.500 121.356 5.144 1
1 893 . 12 1 1 A 86 86 LEU H H 86 8.382 7.869 0.513 1
1 894 . 12 1 1 A 86 86 LEU HA H 86 3.827 4.086 -0.259 1
1 904 . 12 1 1 A 86 86 LEU CA C 86 57.826 57.668 0.158 1
1 905 . 12 1 1 A 86 86 LEU CB C 86 41.840 41.373 0.467 1
1 909 . 12 1 1 A 86 86 LEU N N 86 117.962 116.420 1.542 1
1 910 . 12 1 1 A 87 87 LYS H H 87 7.522 7.851 -0.329 1
1 911 . 12 1 1 A 87 87 LYS HA H 87 4.331 4.124 0.207 1
1 920 . 12 1 1 A 87 87 LYS CA C 87 58.325 59.235 -0.910 1
1 921 . 12 1 1 A 87 87 LYS CB C 87 34.043 32.878 1.165 1
1 925 . 12 1 1 A 87 87 LYS N N 87 114.198 118.609 -4.411 1
1 926 . 12 1 1 A 88 88 THR H H 88 8.165 8.270 -0.105 1
1 927 . 12 1 1 A 88 88 THR HA H 88 4.507 4.425 0.082 1
1 932 . 12 1 1 A 88 88 THR CA C 88 62.385 62.583 -0.198 1
1 933 . 12 1 1 A 88 88 THR CB C 88 72.525 70.519 2.006 1
1 935 . 12 1 1 A 88 88 THR N N 88 106.021 108.224 -2.203 1
1 936 . 12 1 1 A 89 89 GLY H H 89 9.139 8.695 0.444 1
1 937 . 12 1 1 A 89 89 GLY HA2 H 89 3.612 3.917 -0.305 1
1 938 . 12 1 1 A 89 89 GLY HA3 H 89 4.204 3.922 0.282 1
1 939 . 12 1 1 A 89 89 GLY CA C 89 46.770 45.682 1.088 1
1 940 . 12 1 1 A 89 89 GLY N N 89 112.926 112.096 0.830 1
1 941 . 12 1 1 A 90 90 LYS H H 90 7.933 7.641 0.292 1
1 942 . 12 1 1 A 90 90 LYS HA H 90 4.459 4.979 -0.520 1
1 951 . 12 1 1 A 90 90 LYS CA C 90 54.576 54.632 -0.056 1
1 952 . 12 1 1 A 90 90 LYS CB C 90 35.788 36.236 -0.448 1
1 956 . 12 1 1 A 90 90 LYS N N 90 117.810 119.968 -2.158 1
1 957 . 12 1 1 A 91 91 LEU H H 91 8.487 8.922 -0.435 1
1 958 . 12 1 1 A 91 91 LEU HA H 91 4.423 5.176 -0.753 1
1 968 . 12 1 1 A 91 91 LEU CA C 91 54.491 53.459 1.032 1
1 969 . 12 1 1 A 91 91 LEU CB C 91 43.083 44.877 -1.794 1
1 973 . 12 1 1 A 91 91 LEU N N 91 123.364 123.283 0.081 1
1 1 . 13 1 1 A 2 2 PRO HA H 2 4.444 4.430 0.014 1
1 8 . 13 1 1 A 2 2 PRO CA C 2 63.468 63.828 -0.360 1
1 9 . 13 1 1 A 2 2 PRO CB C 2 32.153 32.132 0.021 1
1 12 . 13 1 1 A 3 3 GLY H H 3 8.672 8.140 0.532 1
1 13 . 13 1 1 A 3 3 GLY HA2 H 3 4.759 4.041 0.718 1
1 14 . 13 1 1 A 3 3 GLY HA3 H 3 4.759 4.043 0.716 1
1 15 . 13 1 1 A 3 3 GLY CA C 3 45.323 45.097 0.226 1
1 16 . 13 1 1 A 3 3 GLY N N 3 110.465 109.174 1.291 1
1 17 . 13 1 1 A 4 4 SER H H 4 8.201 8.220 -0.019 1
1 18 . 13 1 1 A 4 4 SER HA H 4 4.454 5.121 -0.667 1
1 21 . 13 1 1 A 4 4 SER CA C 4 58.370 57.648 0.722 1
1 22 . 13 1 1 A 4 4 SER CB C 4 64.049 66.105 -2.056 1
1 23 . 13 1 1 A 4 4 SER N N 4 115.747 119.675 -3.928 1
1 24 . 13 1 1 A 5 5 MET H H 5 8.315 8.877 -0.562 1
1 25 . 13 1 1 A 5 5 MET HA H 5 4.675 5.351 -0.676 1
1 30 . 13 1 1 A 5 5 MET CA C 5 55.466 53.589 1.877 1
1 31 . 13 1 1 A 5 5 MET CB C 5 34.462 36.145 -1.683 1
1 33 . 13 1 1 A 5 5 MET N N 5 121.679 121.635 0.044 1
1 34 . 13 1 1 A 6 6 VAL H H 6 8.169 8.471 -0.302 1
1 35 . 13 1 1 A 6 6 VAL HA H 6 4.141 4.833 -0.692 1
1 43 . 13 1 1 A 6 6 VAL CA C 6 61.395 58.818 2.577 1
1 44 . 13 1 1 A 6 6 VAL CB C 6 32.669 35.409 -2.740 1
1 47 . 13 1 1 A 6 6 VAL N N 6 118.330 112.683 5.647 1
1 48 . 13 1 1 A 7 7 ASP H H 7 8.335 8.764 -0.429 1
1 49 . 13 1 1 A 7 7 ASP HA H 7 4.526 4.553 -0.027 1
1 52 . 13 1 1 A 7 7 ASP CA C 7 55.023 55.097 -0.074 1
1 53 . 13 1 1 A 7 7 ASP CB C 7 41.455 40.833 0.622 1
1 54 . 13 1 1 A 7 7 ASP N N 7 122.032 122.288 -0.256 1
1 55 . 13 1 1 A 8 8 VAL H H 8 8.662 8.861 -0.199 1
1 56 . 13 1 1 A 8 8 VAL HA H 8 4.947 5.247 -0.300 1
1 64 . 13 1 1 A 8 8 VAL CA C 8 61.415 61.004 0.411 1
1 65 . 13 1 1 A 8 8 VAL CB C 8 33.703 34.560 -0.857 1
1 68 . 13 1 1 A 8 8 VAL N N 8 124.216 125.388 -1.172 1
1 69 . 13 1 1 A 9 9 ILE H H 9 9.311 9.292 0.019 1
1 70 . 13 1 1 A 9 9 ILE HA H 9 4.963 5.113 -0.150 1
1 80 . 13 1 1 A 9 9 ILE CA C 9 59.648 59.798 -0.150 1
1 81 . 13 1 1 A 9 9 ILE CB C 9 41.374 41.263 0.111 1
1 85 . 13 1 1 A 9 9 ILE N N 9 129.869 126.888 2.981 1
1 86 . 13 1 1 A 10 10 ILE H H 10 8.720 9.415 -0.695 1
1 87 . 13 1 1 A 10 10 ILE HA H 10 5.442 5.476 -0.034 1
1 97 . 13 1 1 A 10 10 ILE CA C 10 58.153 58.522 -0.369 1
1 98 . 13 1 1 A 10 10 ILE CB C 10 41.947 41.134 0.813 1
1 102 . 13 1 1 A 10 10 ILE N N 10 123.598 129.229 -5.631 1
1 103 . 13 1 1 A 11 11 TYR H H 11 9.340 9.222 0.118 1
1 104 . 13 1 1 A 11 11 TYR HA H 11 5.667 5.728 -0.061 1
1 111 . 13 1 1 A 11 11 TYR CA C 11 57.300 56.305 0.995 1
1 112 . 13 1 1 A 11 11 TYR CB C 11 40.550 40.656 -0.106 1
1 113 . 13 1 1 A 11 11 TYR N N 11 128.888 128.164 0.724 1
1 114 . 13 1 1 A 12 12 THR H H 12 9.374 8.752 0.622 1
1 115 . 13 1 1 A 12 12 THR HA H 12 5.277 4.917 0.360 1
1 120 . 13 1 1 A 12 12 THR CA C 12 59.567 59.843 -0.276 1
1 121 . 13 1 1 A 12 12 THR CB C 12 72.183 71.365 0.818 1
1 123 . 13 1 1 A 12 12 THR N N 12 112.083 117.302 -5.219 1
1 124 . 13 1 1 A 13 13 ARG H H 13 7.379 8.772 -1.393 1
1 125 . 13 1 1 A 13 13 ARG HA H 13 4.779 4.900 -0.121 1
1 132 . 13 1 1 A 13 13 ARG CA C 13 52.961 53.637 -0.676 1
1 133 . 13 1 1 A 13 13 ARG CB C 13 31.374 31.993 -0.619 1
1 136 . 13 1 1 A 13 13 ARG N N 13 113.131 123.766 -10.635 1
1 137 . 13 1 1 A 14 14 PRO HA H 14 4.276 4.292 -0.016 1
1 144 . 13 1 1 A 14 14 PRO CA C 14 63.498 63.858 -0.360 1
1 145 . 13 1 1 A 14 14 PRO CB C 14 32.015 31.346 0.669 1
1 148 . 13 1 1 A 15 15 GLY H H 15 8.672 8.886 -0.214 1
1 149 . 13 1 1 A 15 15 GLY HA2 H 15 3.946 3.907 0.039 1
1 150 . 13 1 1 A 15 15 GLY HA3 H 15 3.946 3.910 0.036 1
1 151 . 13 1 1 A 15 15 GLY N N 15 110.274 112.295 -2.021 1
1 152 . 13 1 1 A 16 16 CYS H H 16 6.985 7.540 -0.555 1
1 153 . 13 1 1 A 16 16 CYS HA H 16 4.769 4.707 0.062 1
1 156 . 13 1 1 A 16 16 CYS CA C 16 56.315 56.232 0.083 1
1 157 . 13 1 1 A 16 16 CYS CB C 16 31.724 28.587 3.137 1
1 158 . 13 1 1 A 16 16 CYS N N 16 124.357 119.570 4.787 1
1 159 . 13 1 1 A 17 17 PRO HA H 17 4.417 4.413 0.004 1
1 166 . 13 1 1 A 17 17 PRO CA C 17 64.516 65.779 -1.263 1
1 167 . 13 1 1 A 17 17 PRO CB C 17 32.205 31.861 0.344 1
1 170 . 13 1 1 A 18 18 TYR H H 18 9.273 8.083 1.190 1
1 171 . 13 1 1 A 18 18 TYR HA H 18 4.375 4.224 0.151 1
1 178 . 13 1 1 A 18 18 TYR CA C 18 61.227 61.416 -0.189 1
1 179 . 13 1 1 A 18 18 TYR CB C 18 38.025 37.462 0.563 1
1 180 . 13 1 1 A 18 18 TYR N N 18 127.619 117.608 10.011 1
1 181 . 13 1 1 A 19 19 CYS H H 19 9.854 8.335 1.519 1
1 182 . 13 1 1 A 19 19 CYS HA H 19 3.870 4.094 -0.224 1
1 185 . 13 1 1 A 19 19 CYS CA C 19 64.810 63.072 1.738 1
1 186 . 13 1 1 A 19 19 CYS CB C 19 29.498 27.303 2.195 1
1 187 . 13 1 1 A 19 19 CYS N N 19 128.016 118.531 9.485 1
1 188 . 13 1 1 A 20 20 ALA H H 20 7.948 8.133 -0.185 1
1 189 . 13 1 1 A 20 20 ALA HA H 20 3.995 3.964 0.031 1
1 193 . 13 1 1 A 20 20 ALA CA C 20 55.804 55.401 0.403 1
1 194 . 13 1 1 A 20 20 ALA CB C 20 18.201 18.462 -0.261 1
1 195 . 13 1 1 A 20 20 ALA N N 20 121.373 122.287 -0.914 1
1 196 . 13 1 1 A 21 21 ARG H H 21 8.064 7.973 0.091 1
1 197 . 13 1 1 A 21 21 ARG HA H 21 4.159 4.077 0.082 1
1 204 . 13 1 1 A 21 21 ARG CA C 21 59.500 59.608 -0.108 1
1 205 . 13 1 1 A 21 21 ARG CB C 21 30.535 30.154 0.381 1
1 208 . 13 1 1 A 21 21 ARG N N 21 119.886 117.734 2.152 1
1 209 . 13 1 1 A 22 22 ALA H H 22 8.342 7.744 0.598 1
1 210 . 13 1 1 A 22 22 ALA HA H 22 4.174 4.149 0.025 1
1 214 . 13 1 1 A 22 22 ALA CA C 22 55.658 55.445 0.213 1
1 215 . 13 1 1 A 22 22 ALA CB C 22 19.485 18.382 1.103 1
1 216 . 13 1 1 A 22 22 ALA N N 22 125.852 121.669 4.183 1
1 217 . 13 1 1 A 23 23 LYS H H 23 7.968 8.166 -0.198 1
1 218 . 13 1 1 A 23 23 LYS HA H 23 3.243 3.743 -0.500 1
1 227 . 13 1 1 A 23 23 LYS CA C 23 60.699 59.627 1.072 1
1 228 . 13 1 1 A 23 23 LYS CB C 23 31.640 32.512 -0.872 1
1 232 . 13 1 1 A 23 23 LYS N N 23 116.539 116.947 -0.408 1
1 233 . 13 1 1 A 24 24 ALA H H 24 8.027 8.087 -0.060 1
1 234 . 13 1 1 A 24 24 ALA HA H 24 4.152 4.139 0.013 1
1 238 . 13 1 1 A 24 24 ALA CA C 24 55.067 55.044 0.023 1
1 239 . 13 1 1 A 24 24 ALA CB C 24 18.039 18.232 -0.193 1
1 240 . 13 1 1 A 24 24 ALA N N 24 120.099 122.224 -2.125 1
1 241 . 13 1 1 A 25 25 LEU H H 25 7.184 8.399 -1.215 1
1 242 . 13 1 1 A 25 25 LEU HA H 25 4.089 4.124 -0.035 1
1 252 . 13 1 1 A 25 25 LEU CA C 25 57.761 57.881 -0.120 1
1 253 . 13 1 1 A 25 25 LEU CB C 25 40.444 41.583 -1.139 1
1 257 . 13 1 1 A 25 25 LEU N N 25 119.676 119.130 0.546 1
1 258 . 13 1 1 A 26 26 LEU H H 26 7.477 8.141 -0.664 1
1 259 . 13 1 1 A 26 26 LEU HA H 26 3.701 4.203 -0.502 1
1 269 . 13 1 1 A 26 26 LEU CA C 26 58.523 57.713 0.810 1
1 270 . 13 1 1 A 26 26 LEU CB C 26 41.105 40.906 0.199 1
1 274 . 13 1 1 A 26 26 LEU N N 26 117.225 118.450 -1.225 1
1 275 . 13 1 1 A 27 27 ALA H H 27 8.657 8.746 -0.089 1
1 276 . 13 1 1 A 27 27 ALA HA H 27 4.368 4.034 0.334 1
1 280 . 13 1 1 A 27 27 ALA CA C 27 55.066 55.223 -0.157 1
1 281 . 13 1 1 A 27 27 ALA CB C 27 18.137 18.073 0.064 1
1 282 . 13 1 1 A 27 27 ALA N N 27 119.692 122.486 -2.794 1
1 283 . 13 1 1 A 28 28 ARG H H 28 8.048 8.227 -0.179 1
1 284 . 13 1 1 A 28 28 ARG HA H 28 4.110 4.073 0.037 1
1 291 . 13 1 1 A 28 28 ARG CA C 28 59.249 58.972 0.277 1
1 292 . 13 1 1 A 28 28 ARG CB C 28 29.962 29.606 0.356 1
1 295 . 13 1 1 A 28 28 ARG N N 28 121.433 118.475 2.958 1
1 296 . 13 1 1 A 29 29 LYS H H 29 7.660 7.675 -0.015 1
1 297 . 13 1 1 A 29 29 LYS HA H 29 4.192 4.303 -0.111 1
1 306 . 13 1 1 A 29 29 LYS CA C 29 54.864 55.908 -1.044 1
1 307 . 13 1 1 A 29 29 LYS CB C 29 31.476 32.915 -1.439 1
1 311 . 13 1 1 A 29 29 LYS N N 29 115.942 115.813 0.129 1
1 312 . 13 1 1 A 30 30 GLY H H 30 7.919 8.063 -0.144 1
1 313 . 13 1 1 A 30 30 GLY HA2 H 30 3.734 3.950 -0.216 1
1 314 . 13 1 1 A 30 30 GLY HA3 H 30 4.013 3.957 0.056 1
1 315 . 13 1 1 A 30 30 GLY CA C 30 45.497 45.043 0.454 1
1 316 . 13 1 1 A 30 30 GLY N N 30 107.837 105.771 2.066 1
1 317 . 13 1 1 A 31 31 ALA H H 31 7.830 8.052 -0.222 1
1 318 . 13 1 1 A 31 31 ALA HA H 31 4.446 4.298 0.148 1
1 322 . 13 1 1 A 31 31 ALA CA C 31 51.562 52.430 -0.868 1
1 323 . 13 1 1 A 31 31 ALA CB C 31 19.964 19.200 0.764 1
1 324 . 13 1 1 A 31 31 ALA N N 31 122.333 124.425 -2.092 1
1 325 . 13 1 1 A 32 32 GLU H H 32 8.322 8.639 -0.317 1
1 326 . 13 1 1 A 32 32 GLU HA H 32 4.173 4.331 -0.158 1
1 331 . 13 1 1 A 32 32 GLU CA C 32 55.621 56.592 -0.971 1
1 332 . 13 1 1 A 32 32 GLU CB C 32 29.734 30.604 -0.870 1
1 334 . 13 1 1 A 32 32 GLU N N 32 124.383 123.794 0.589 1
1 335 . 13 1 1 A 33 33 PHE H H 33 7.623 8.443 -0.820 1
1 336 . 13 1 1 A 33 33 PHE HA H 33 5.151 5.296 -0.145 1
1 344 . 13 1 1 A 33 33 PHE CA C 33 55.106 56.144 -1.038 1
1 345 . 13 1 1 A 33 33 PHE CB C 33 41.937 41.955 -0.018 1
1 346 . 13 1 1 A 33 33 PHE N N 33 116.953 118.466 -1.513 1
1 347 . 13 1 1 A 34 34 ASN H H 34 8.938 9.116 -0.178 1
1 348 . 13 1 1 A 34 34 ASN HA H 34 4.897 4.958 -0.061 1
1 353 . 13 1 1 A 34 34 ASN CA C 34 52.081 53.258 -1.177 1
1 354 . 13 1 1 A 34 34 ASN CB C 34 39.784 39.584 0.200 1
1 355 . 13 1 1 A 34 34 ASN N N 34 120.410 120.600 -0.190 1
1 357 . 13 1 1 A 35 35 GLU H H 35 8.764 8.927 -0.163 1
1 358 . 13 1 1 A 35 35 GLU HA H 35 5.135 4.915 0.220 1
1 363 . 13 1 1 A 35 35 GLU CA C 35 54.519 56.069 -1.550 1
1 364 . 13 1 1 A 35 35 GLU CB C 35 31.306 30.689 0.617 1
1 366 . 13 1 1 A 35 35 GLU N N 35 126.769 127.460 -0.691 1
1 367 . 13 1 1 A 36 36 ILE H H 36 8.975 8.627 0.348 1
1 368 . 13 1 1 A 36 36 ILE HA H 36 4.108 4.677 -0.569 1
1 378 . 13 1 1 A 36 36 ILE CA C 36 60.156 58.952 1.204 1
1 379 . 13 1 1 A 36 36 ILE CB C 36 40.382 41.732 -1.350 1
1 383 . 13 1 1 A 36 36 ILE N N 36 130.393 127.098 3.295 1
1 384 . 13 1 1 A 37 37 ASP H H 37 8.494 8.630 -0.136 1
1 385 . 13 1 1 A 37 37 ASP HA H 37 4.965 5.299 -0.334 1
1 388 . 13 1 1 A 37 37 ASP CA C 37 52.537 52.691 -0.154 1
1 389 . 13 1 1 A 37 37 ASP CB C 37 39.350 43.035 -3.685 1
1 390 . 13 1 1 A 37 37 ASP N N 37 125.910 124.698 1.212 1
1 391 . 13 1 1 A 38 38 ALA H H 38 8.764 8.230 0.534 1
1 392 . 13 1 1 A 38 38 ALA HA H 38 4.621 4.430 0.191 1
1 396 . 13 1 1 A 38 38 ALA CA C 38 51.729 52.987 -1.258 1
1 397 . 13 1 1 A 38 38 ALA CB C 38 20.588 20.919 -0.331 1
1 398 . 13 1 1 A 38 38 ALA N N 38 130.164 123.980 6.184 1
1 399 . 13 1 1 A 39 39 SER H H 39 8.668 8.583 0.085 1
1 400 . 13 1 1 A 39 39 SER HA H 39 4.469 4.308 0.161 1
1 403 . 13 1 1 A 39 39 SER CA C 39 59.342 61.323 -1.981 1
1 404 . 13 1 1 A 39 39 SER CB C 39 64.938 62.721 2.217 1
1 405 . 13 1 1 A 39 39 SER N N 39 111.397 113.512 -2.115 1
1 406 . 13 1 1 A 40 40 ALA H H 40 7.466 7.878 -0.412 1
1 407 . 13 1 1 A 40 40 ALA HA H 40 4.136 4.115 0.021 1
1 411 . 13 1 1 A 40 40 ALA CA C 40 55.000 54.873 0.127 1
1 412 . 13 1 1 A 40 40 ALA CB C 40 20.463 18.826 1.637 1
1 413 . 13 1 1 A 40 40 ALA N N 40 124.335 123.273 1.062 1
1 414 . 13 1 1 A 41 41 THR H H 41 7.098 7.466 -0.368 1
1 415 . 13 1 1 A 41 41 THR HA H 41 4.978 4.921 0.057 1
1 420 . 13 1 1 A 41 41 THR CA C 41 57.841 58.868 -1.027 1
1 421 . 13 1 1 A 41 41 THR CB C 41 70.742 71.246 -0.504 1
1 423 . 13 1 1 A 41 41 THR N N 41 105.166 107.405 -2.239 1
1 424 . 13 1 1 A 42 42 PRO HA H 42 4.299 4.386 -0.087 1
1 431 . 13 1 1 A 42 42 PRO CA C 42 64.586 65.154 -0.568 1
1 432 . 13 1 1 A 42 42 PRO CB C 42 31.963 31.998 -0.035 1
1 435 . 13 1 1 A 43 43 GLU H H 43 8.997 8.073 0.924 1
1 436 . 13 1 1 A 43 43 GLU HA H 43 4.052 4.129 -0.077 1
1 441 . 13 1 1 A 43 43 GLU CA C 43 60.694 59.426 1.268 1
1 442 . 13 1 1 A 43 43 GLU CB C 43 28.709 29.676 -0.967 1
1 444 . 13 1 1 A 43 43 GLU N N 43 118.804 118.406 0.398 1
1 445 . 13 1 1 A 44 44 LEU H H 44 7.882 8.364 -0.482 1
1 446 . 13 1 1 A 44 44 LEU HA H 44 4.285 4.025 0.260 1
1 456 . 13 1 1 A 44 44 LEU CA C 44 57.573 58.179 -0.606 1
1 457 . 13 1 1 A 44 44 LEU CB C 44 42.548 41.720 0.828 1
1 461 . 13 1 1 A 44 44 LEU N N 44 122.381 120.051 2.330 1
1 462 . 13 1 1 A 45 45 ARG H H 45 7.709 7.641 0.068 1
1 463 . 13 1 1 A 45 45 ARG HA H 45 4.026 4.125 -0.099 1
1 470 . 13 1 1 A 45 45 ARG CA C 45 60.055 58.936 1.119 1
1 471 . 13 1 1 A 45 45 ARG CB C 45 29.943 29.641 0.302 1
1 474 . 13 1 1 A 45 45 ARG N N 45 122.487 120.997 1.490 1
1 475 . 13 1 1 A 46 46 ALA H H 46 8.144 7.991 0.153 1
1 476 . 13 1 1 A 46 46 ALA HA H 46 4.074 4.132 -0.058 1
1 480 . 13 1 1 A 46 46 ALA CA C 46 54.865 55.297 -0.432 1
1 481 . 13 1 1 A 46 46 ALA CB C 46 17.777 18.367 -0.590 1
1 482 . 13 1 1 A 46 46 ALA N N 46 121.132 122.514 -1.382 1
1 483 . 13 1 1 A 47 47 GLU H H 47 7.902 8.641 -0.739 1
1 484 . 13 1 1 A 47 47 GLU HA H 47 3.995 4.065 -0.070 1
1 489 . 13 1 1 A 47 47 GLU CA C 47 59.524 59.367 0.157 1
1 490 . 13 1 1 A 47 47 GLU CB C 47 29.915 29.203 0.712 1
1 492 . 13 1 1 A 47 47 GLU N N 47 121.104 116.662 4.442 1
1 493 . 13 1 1 A 48 48 MET H H 48 7.984 8.317 -0.333 1
1 494 . 13 1 1 A 48 48 MET HA H 48 2.786 4.325 -1.539 1
1 499 . 13 1 1 A 48 48 MET CA C 48 59.662 58.467 1.195 1
1 500 . 13 1 1 A 48 48 MET CB C 48 33.701 33.166 0.535 1
1 502 . 13 1 1 A 48 48 MET N N 48 118.769 119.152 -0.383 1
1 503 . 13 1 1 A 49 49 GLN H H 49 8.209 8.356 -0.147 1
1 504 . 13 1 1 A 49 49 GLN HA H 49 4.299 4.169 0.130 1
1 511 . 13 1 1 A 49 49 GLN CA C 49 58.669 58.078 0.591 1
1 512 . 13 1 1 A 49 49 GLN CB C 49 28.742 27.231 1.511 1
1 514 . 13 1 1 A 49 49 GLN N N 49 122.155 117.270 4.885 1
1 516 . 13 1 1 A 50 50 GLU H H 50 8.671 7.886 0.785 1
1 517 . 13 1 1 A 50 50 GLU HA H 50 3.904 4.136 -0.232 1
1 522 . 13 1 1 A 50 50 GLU CA C 50 59.156 59.043 0.113 1
1 523 . 13 1 1 A 50 50 GLU CB C 50 29.504 29.111 0.393 1
1 525 . 13 1 1 A 50 50 GLU N N 50 122.081 120.318 1.763 1
1 526 . 13 1 1 A 51 51 ARG H H 51 8.244 7.853 0.391 1
1 527 . 13 1 1 A 51 51 ARG HA H 51 3.993 4.247 -0.254 1
1 534 . 13 1 1 A 51 51 ARG CA C 51 58.503 58.130 0.373 1
1 535 . 13 1 1 A 51 51 ARG CB C 51 31.363 30.875 0.488 1
1 538 . 13 1 1 A 51 51 ARG N N 51 115.848 119.817 -3.969 1
1 539 . 13 1 1 A 52 52 SER H H 52 7.994 7.251 0.743 1
1 540 . 13 1 1 A 52 52 SER HA H 52 3.674 4.248 -0.574 1
1 543 . 13 1 1 A 52 52 SER CA C 52 58.897 58.937 -0.040 1
1 544 . 13 1 1 A 52 52 SER CB C 52 66.908 63.363 3.545 1
1 545 . 13 1 1 A 52 52 SER N N 52 109.721 111.608 -1.887 1
1 546 . 13 1 1 A 53 53 GLY H H 53 8.205 8.873 -0.668 1
1 547 . 13 1 1 A 53 53 GLY HA2 H 53 3.815 3.836 -0.021 1
1 548 . 13 1 1 A 53 53 GLY HA3 H 53 4.063 3.860 0.203 1
1 549 . 13 1 1 A 53 53 GLY CA C 53 46.182 45.618 0.564 1
1 550 . 13 1 1 A 53 53 GLY N N 53 112.716 108.897 3.819 1
1 551 . 13 1 1 A 54 54 ARG H H 54 8.323 7.745 0.578 1
1 552 . 13 1 1 A 54 54 ARG HA H 54 4.595 4.755 -0.160 1
1 559 . 13 1 1 A 54 54 ARG CA C 54 54.426 53.823 0.603 1
1 560 . 13 1 1 A 54 54 ARG CB C 54 35.418 33.176 2.242 1
1 563 . 13 1 1 A 54 54 ARG N N 54 119.629 120.103 -0.474 1
1 564 . 13 1 1 A 55 55 ASN H H 55 8.184 8.756 -0.572 1
1 565 . 13 1 1 A 55 55 ASN HA H 55 4.692 4.511 0.181 1
1 570 . 13 1 1 A 55 55 ASN CA C 55 51.458 56.123 -4.665 1
1 571 . 13 1 1 A 55 55 ASN N N 55 112.763 119.157 -6.394 1
1 573 . 13 1 1 A 56 56 THR H H 56 6.730 7.630 -0.900 1
1 574 . 13 1 1 A 56 56 THR HA H 56 4.309 4.938 -0.629 1
1 579 . 13 1 1 A 56 56 THR CA C 56 59.120 61.342 -2.222 1
1 580 . 13 1 1 A 56 56 THR CB C 56 70.754 72.120 -1.366 1
1 582 . 13 1 1 A 56 56 THR N N 56 107.946 110.859 -2.913 1
1 583 . 13 1 1 A 57 57 PHE H H 57 8.568 9.045 -0.477 1
1 584 . 13 1 1 A 57 57 PHE HA H 57 4.641 5.096 -0.455 1
1 592 . 13 1 1 A 57 57 PHE CA C 57 54.923 55.329 -0.406 1
1 593 . 13 1 1 A 57 57 PHE CB C 57 41.272 40.576 0.696 1
1 594 . 13 1 1 A 57 57 PHE N N 57 117.566 121.833 -4.267 1
1 595 . 13 1 1 A 58 58 PRO HA H 58 5.604 4.681 0.923 1
1 602 . 13 1 1 A 58 58 PRO CA C 58 62.749 62.757 -0.008 1
1 603 . 13 1 1 A 58 58 PRO CB C 58 36.563 32.041 4.522 1
1 606 . 13 1 1 A 59 59 GLN H H 59 7.926 8.446 -0.520 1
1 607 . 13 1 1 A 59 59 GLN HA H 59 4.813 4.777 0.036 1
1 614 . 13 1 1 A 59 59 GLN CA C 59 55.111 54.827 0.284 1
1 615 . 13 1 1 A 59 59 GLN CB C 59 31.737 30.930 0.807 1
1 617 . 13 1 1 A 59 59 GLN N N 59 112.301 121.001 -8.700 1
1 619 . 13 1 1 A 60 60 ILE H H 60 8.936 8.886 0.050 1
1 620 . 13 1 1 A 60 60 ILE HA H 60 4.933 4.399 0.534 1
1 630 . 13 1 1 A 60 60 ILE CA C 60 61.288 60.083 1.205 1
1 631 . 13 1 1 A 60 60 ILE CB C 60 40.912 38.880 2.032 1
1 635 . 13 1 1 A 60 60 ILE N N 60 123.133 123.997 -0.864 1
1 636 . 13 1 1 A 61 61 PHE H H 61 9.629 9.338 0.291 1
1 637 . 13 1 1 A 61 61 PHE HA H 61 5.354 5.153 0.201 1
1 645 . 13 1 1 A 61 61 PHE CA C 61 56.630 57.177 -0.547 1
1 646 . 13 1 1 A 61 61 PHE CB C 61 41.883 40.356 1.527 1
1 647 . 13 1 1 A 61 61 PHE N N 61 128.347 126.895 1.452 1
1 648 . 13 1 1 A 62 62 ILE H H 62 9.070 8.875 0.195 1
1 649 . 13 1 1 A 62 62 ILE HA H 62 4.587 4.572 0.015 1
1 659 . 13 1 1 A 62 62 ILE CA C 62 60.903 60.164 0.739 1
1 660 . 13 1 1 A 62 62 ILE CB C 62 39.789 40.011 -0.222 1
1 664 . 13 1 1 A 62 62 ILE N N 62 122.709 123.872 -1.163 1
1 665 . 13 1 1 A 63 63 GLY H H 63 9.303 8.674 0.629 1
1 666 . 13 1 1 A 63 63 GLY HA2 H 63 3.889 3.891 -0.002 1
1 667 . 13 1 1 A 63 63 GLY HA3 H 63 4.081 3.893 0.188 1
1 668 . 13 1 1 A 63 63 GLY CA C 63 47.216 47.365 -0.149 1
1 669 . 13 1 1 A 63 63 GLY N N 63 116.351 117.995 -1.644 1
1 670 . 13 1 1 A 64 64 SER H H 64 9.242 8.386 0.856 1
1 671 . 13 1 1 A 64 64 SER HA H 64 4.525 4.677 -0.152 1
1 674 . 13 1 1 A 64 64 SER CA C 64 59.046 57.599 1.447 1
1 675 . 13 1 1 A 64 64 SER CB C 64 63.900 64.077 -0.177 1
1 676 . 13 1 1 A 64 64 SER N N 64 122.307 121.272 1.035 1
1 677 . 13 1 1 A 65 65 VAL H H 65 8.475 7.635 0.840 1
1 678 . 13 1 1 A 65 65 VAL HA H 65 4.013 4.819 -0.806 1
1 686 . 13 1 1 A 65 65 VAL CA C 65 62.737 60.470 2.267 1
1 687 . 13 1 1 A 65 65 VAL CB C 65 33.308 35.789 -2.481 1
1 690 . 13 1 1 A 65 65 VAL N N 65 124.659 120.803 3.856 1
1 691 . 13 1 1 A 66 66 HIS H H 66 8.968 9.001 -0.033 1
1 692 . 13 1 1 A 66 66 HIS HA H 66 4.337 5.152 -0.815 1
1 698 . 13 1 1 A 66 66 HIS CA C 66 54.409 54.528 -0.119 1
1 699 . 13 1 1 A 66 66 HIS CB C 66 31.099 30.387 0.712 1
1 700 . 13 1 1 A 66 66 HIS N N 66 128.172 126.612 1.560 1
1 701 . 13 1 1 A 67 67 VAL H H 67 8.148 8.818 -0.670 1
1 702 . 13 1 1 A 67 67 VAL HA H 67 3.329 3.654 -0.325 1
1 710 . 13 1 1 A 67 67 VAL CA C 67 64.129 65.481 -1.352 1
1 711 . 13 1 1 A 67 67 VAL CB C 67 32.554 32.215 0.339 1
1 714 . 13 1 1 A 67 67 VAL N N 67 130.509 127.428 3.081 1
1 715 . 13 1 1 A 68 68 GLY H H 68 6.365 7.361 -0.996 1
1 716 . 13 1 1 A 68 68 GLY HA2 H 68 3.003 4.058 -1.055 1
1 717 . 13 1 1 A 68 68 GLY HA3 H 68 4.513 4.171 0.342 1
1 718 . 13 1 1 A 68 68 GLY CA C 68 43.722 45.713 -1.991 1
1 719 . 13 1 1 A 68 68 GLY N N 68 102.729 105.778 -3.049 1
1 720 . 13 1 1 A 69 69 GLY H H 69 9.087 8.477 0.610 1
1 721 . 13 1 1 A 69 69 GLY HA2 H 69 3.752 4.144 -0.392 1
1 722 . 13 1 1 A 69 69 GLY HA3 H 69 4.633 4.387 0.246 1
1 723 . 13 1 1 A 69 69 GLY CA C 69 43.851 44.633 -0.782 1
1 724 . 13 1 1 A 69 69 GLY N N 69 110.274 112.793 -2.519 1
1 725 . 13 1 1 A 70 70 CYS H H 70 8.467 8.904 -0.437 1
1 726 . 13 1 1 A 70 70 CYS HA H 70 3.806 4.113 -0.307 1
1 729 . 13 1 1 A 70 70 CYS CA C 70 63.366 62.494 0.872 1
1 730 . 13 1 1 A 70 70 CYS CB C 70 27.642 26.455 1.187 1
1 731 . 13 1 1 A 70 70 CYS N N 70 118.787 118.788 -0.001 1
1 732 . 13 1 1 A 71 71 ASP HA H 71 4.398 4.270 0.128 1
1 735 . 13 1 1 A 71 71 ASP CA C 71 57.405 57.781 -0.376 1
1 736 . 13 1 1 A 71 71 ASP CB C 71 39.058 41.974 -2.916 1
1 737 . 13 1 1 A 72 72 ASP H H 72 7.266 8.112 -0.846 1
1 738 . 13 1 1 A 72 72 ASP HA H 72 4.285 4.420 -0.135 1
1 741 . 13 1 1 A 72 72 ASP CA C 72 57.322 57.385 -0.063 1
1 742 . 13 1 1 A 72 72 ASP CB C 72 41.553 40.742 0.811 1
1 743 . 13 1 1 A 72 72 ASP N N 72 119.650 119.555 0.095 1
1 744 . 13 1 1 A 73 73 LEU H H 73 7.755 8.592 -0.837 1
1 745 . 13 1 1 A 73 73 LEU HA H 73 3.736 4.095 -0.359 1
1 755 . 13 1 1 A 73 73 LEU CA C 73 58.272 57.913 0.359 1
1 756 . 13 1 1 A 73 73 LEU CB C 73 41.995 41.837 0.158 1
1 760 . 13 1 1 A 73 73 LEU N N 73 121.526 120.572 0.954 1
1 761 . 13 1 1 A 74 74 TYR H H 74 8.244 8.470 -0.226 1
1 762 . 13 1 1 A 74 74 TYR HA H 74 3.697 4.113 -0.416 1
1 769 . 13 1 1 A 74 74 TYR CA C 74 62.802 61.290 1.512 1
1 770 . 13 1 1 A 74 74 TYR CB C 74 37.819 37.861 -0.042 1
1 771 . 13 1 1 A 74 74 TYR N N 74 116.552 118.092 -1.540 1
1 772 . 13 1 1 A 75 75 ALA H H 75 8.169 8.303 -0.134 1
1 773 . 13 1 1 A 75 75 ALA HA H 75 4.286 4.171 0.115 1
1 777 . 13 1 1 A 75 75 ALA CA C 75 55.465 54.924 0.541 1
1 778 . 13 1 1 A 75 75 ALA CB C 75 17.722 18.518 -0.796 1
1 779 . 13 1 1 A 75 75 ALA N N 75 122.825 123.370 -0.545 1
1 780 . 13 1 1 A 76 76 LEU H H 76 7.353 8.418 -1.065 1
1 781 . 13 1 1 A 76 76 LEU HA H 76 4.003 4.061 -0.058 1
1 791 . 13 1 1 A 76 76 LEU CA C 76 57.687 57.864 -0.177 1
1 792 . 13 1 1 A 76 76 LEU CB C 76 42.753 41.602 1.151 1
1 796 . 13 1 1 A 76 76 LEU N N 76 116.756 120.545 -3.789 1
1 797 . 13 1 1 A 77 77 GLU H H 77 7.420 8.381 -0.961 1
1 798 . 13 1 1 A 77 77 GLU HA H 77 4.575 3.828 0.747 1
1 803 . 13 1 1 A 77 77 GLU CA C 77 57.962 60.001 -2.039 1
1 804 . 13 1 1 A 77 77 GLU CB C 77 28.292 29.126 -0.834 1
1 806 . 13 1 1 A 77 77 GLU N N 77 121.356 118.949 2.407 1
1 807 . 13 1 1 A 78 78 ASP H H 78 8.637 8.024 0.613 1
1 808 . 13 1 1 A 78 78 ASP HA H 78 4.399 4.423 -0.024 1
1 811 . 13 1 1 A 78 78 ASP CA C 78 57.569 57.066 0.503 1
1 812 . 13 1 1 A 78 78 ASP CB C 78 40.715 41.184 -0.469 1
1 813 . 13 1 1 A 78 78 ASP N N 78 123.396 119.578 3.818 1
1 814 . 13 1 1 A 79 79 GLU H H 79 7.773 7.930 -0.157 1
1 815 . 13 1 1 A 79 79 GLU HA H 79 4.283 4.396 -0.113 1
1 820 . 13 1 1 A 79 79 GLU CA C 79 56.357 56.136 0.221 1
1 821 . 13 1 1 A 79 79 GLU CB C 79 30.855 30.914 -0.059 1
1 823 . 13 1 1 A 79 79 GLU N N 79 115.336 116.326 -0.990 1
1 824 . 13 1 1 A 80 80 GLY H H 80 8.050 8.060 -0.010 1
1 825 . 13 1 1 A 80 80 GLY HA2 H 80 4.031 3.964 0.067 1
1 826 . 13 1 1 A 80 80 GLY HA3 H 80 4.031 3.966 0.065 1
1 827 . 13 1 1 A 80 80 GLY CA C 80 46.314 46.163 0.151 1
1 828 . 13 1 1 A 80 80 GLY N N 80 108.957 108.488 0.469 1
1 829 . 13 1 1 A 81 81 LYS H H 81 8.188 7.743 0.445 1
1 830 . 13 1 1 A 81 81 LYS HA H 81 4.415 4.245 0.170 1
1 839 . 13 1 1 A 81 81 LYS CA C 81 56.716 58.066 -1.350 1
1 840 . 13 1 1 A 81 81 LYS CB C 81 35.935 32.315 3.620 1
1 844 . 13 1 1 A 81 81 LYS N N 81 116.879 119.016 -2.137 1
1 845 . 13 1 1 A 82 82 LEU H H 82 7.499 7.922 -0.423 1
1 846 . 13 1 1 A 82 82 LEU HA H 82 3.977 3.956 0.021 1
1 856 . 13 1 1 A 82 82 LEU CA C 82 57.480 58.130 -0.650 1
1 857 . 13 1 1 A 82 82 LEU CB C 82 40.489 41.382 -0.893 1
1 861 . 13 1 1 A 82 82 LEU N N 82 122.734 120.701 2.033 1
1 862 . 13 1 1 A 83 83 ASP H H 83 8.625 8.400 0.225 1
1 863 . 13 1 1 A 83 83 ASP HA H 83 4.248 4.338 -0.090 1
1 866 . 13 1 1 A 83 83 ASP CA C 83 58.680 57.547 1.133 1
1 867 . 13 1 1 A 83 83 ASP CB C 83 40.149 40.668 -0.519 1
1 868 . 13 1 1 A 83 83 ASP N N 83 119.728 120.194 -0.466 1
1 869 . 13 1 1 A 84 84 SER H H 84 8.426 7.948 0.478 1
1 870 . 13 1 1 A 84 84 SER HA H 84 4.219 4.305 -0.086 1
1 873 . 13 1 1 A 84 84 SER CA C 84 61.473 61.884 -0.411 1
1 874 . 13 1 1 A 84 84 SER CB C 84 62.589 63.068 -0.479 1
1 875 . 13 1 1 A 84 84 SER N N 84 113.454 116.132 -2.678 1
1 876 . 13 1 1 A 85 85 LEU H H 85 7.551 7.872 -0.321 1
1 877 . 13 1 1 A 85 85 LEU HA H 85 4.319 4.105 0.214 1
1 887 . 13 1 1 A 85 85 LEU CA C 85 58.355 57.640 0.715 1
1 888 . 13 1 1 A 85 85 LEU CB C 85 41.588 41.678 -0.090 1
1 892 . 13 1 1 A 85 85 LEU N N 85 126.500 121.279 5.221 1
1 893 . 13 1 1 A 86 86 LEU H H 86 8.382 8.162 0.220 1
1 894 . 13 1 1 A 86 86 LEU HA H 86 3.827 4.094 -0.267 1
1 904 . 13 1 1 A 86 86 LEU CA C 86 57.826 57.644 0.182 1
1 905 . 13 1 1 A 86 86 LEU CB C 86 41.840 41.535 0.305 1
1 909 . 13 1 1 A 86 86 LEU N N 86 117.962 115.629 2.333 1
1 910 . 13 1 1 A 87 87 LYS H H 87 7.522 8.117 -0.595 1
1 911 . 13 1 1 A 87 87 LYS HA H 87 4.331 4.261 0.070 1
1 920 . 13 1 1 A 87 87 LYS CA C 87 58.325 58.627 -0.302 1
1 921 . 13 1 1 A 87 87 LYS CB C 87 34.043 32.757 1.286 1
1 925 . 13 1 1 A 87 87 LYS N N 87 114.198 118.917 -4.719 1
1 926 . 13 1 1 A 88 88 THR H H 88 8.165 8.423 -0.258 1
1 927 . 13 1 1 A 88 88 THR HA H 88 4.507 4.432 0.075 1
1 932 . 13 1 1 A 88 88 THR CA C 88 62.385 62.611 -0.226 1
1 933 . 13 1 1 A 88 88 THR CB C 88 72.525 70.515 2.010 1
1 935 . 13 1 1 A 88 88 THR N N 88 106.021 108.583 -2.562 1
1 936 . 13 1 1 A 89 89 GLY H H 89 9.139 8.687 0.452 1
1 937 . 13 1 1 A 89 89 GLY HA2 H 89 3.612 3.919 -0.307 1
1 938 . 13 1 1 A 89 89 GLY HA3 H 89 4.204 3.924 0.280 1
1 939 . 13 1 1 A 89 89 GLY CA C 89 46.770 45.691 1.079 1
1 940 . 13 1 1 A 89 89 GLY N N 89 112.926 112.120 0.806 1
1 941 . 13 1 1 A 90 90 LYS H H 90 7.933 7.517 0.416 1
1 942 . 13 1 1 A 90 90 LYS HA H 90 4.459 4.889 -0.430 1
1 951 . 13 1 1 A 90 90 LYS CA C 90 54.576 54.328 0.248 1
1 952 . 13 1 1 A 90 90 LYS CB C 90 35.788 36.483 -0.695 1
1 956 . 13 1 1 A 90 90 LYS N N 90 117.810 119.741 -1.931 1
1 957 . 13 1 1 A 91 91 LEU H H 91 8.487 9.006 -0.519 1
1 958 . 13 1 1 A 91 91 LEU HA H 91 4.423 5.193 -0.770 1
1 968 . 13 1 1 A 91 91 LEU CA C 91 54.491 52.988 1.503 1
1 969 . 13 1 1 A 91 91 LEU CB C 91 43.083 45.121 -2.038 1
1 973 . 13 1 1 A 91 91 LEU N N 91 123.364 119.341 4.023 1
1 1 . 14 1 1 A 2 2 PRO HA H 2 4.444 4.396 0.048 1
1 8 . 14 1 1 A 2 2 PRO CA C 2 63.468 64.972 -1.504 1
1 9 . 14 1 1 A 2 2 PRO CB C 2 32.153 32.159 -0.006 1
1 12 . 14 1 1 A 3 3 GLY H H 3 8.672 7.921 0.751 1
1 13 . 14 1 1 A 3 3 GLY HA2 H 3 4.759 4.064 0.695 1
1 14 . 14 1 1 A 3 3 GLY HA3 H 3 4.759 4.065 0.694 1
1 15 . 14 1 1 A 3 3 GLY CA C 3 45.323 44.590 0.733 1
1 16 . 14 1 1 A 3 3 GLY N N 3 110.465 107.739 2.726 1
1 17 . 14 1 1 A 4 4 SER H H 4 8.201 8.675 -0.474 1
1 18 . 14 1 1 A 4 4 SER HA H 4 4.454 4.796 -0.342 1
1 21 . 14 1 1 A 4 4 SER CA C 4 58.370 57.789 0.581 1
1 22 . 14 1 1 A 4 4 SER CB C 4 64.049 63.901 0.148 1
1 23 . 14 1 1 A 4 4 SER N N 4 115.747 115.992 -0.245 1
1 24 . 14 1 1 A 5 5 MET H H 5 8.315 7.627 0.688 1
1 25 . 14 1 1 A 5 5 MET HA H 5 4.675 4.751 -0.076 1
1 30 . 14 1 1 A 5 5 MET CA C 5 55.466 54.425 1.041 1
1 31 . 14 1 1 A 5 5 MET CB C 5 34.462 35.537 -1.075 1
1 33 . 14 1 1 A 5 5 MET N N 5 121.679 119.790 1.889 1
1 34 . 14 1 1 A 6 6 VAL H H 6 8.169 8.707 -0.538 1
1 35 . 14 1 1 A 6 6 VAL HA H 6 4.141 4.853 -0.712 1
1 43 . 14 1 1 A 6 6 VAL CA C 6 61.395 59.228 2.167 1
1 44 . 14 1 1 A 6 6 VAL CB C 6 32.669 35.120 -2.451 1
1 47 . 14 1 1 A 6 6 VAL N N 6 118.330 118.272 0.058 1
1 48 . 14 1 1 A 7 7 ASP H H 7 8.335 8.717 -0.382 1
1 49 . 14 1 1 A 7 7 ASP HA H 7 4.526 4.687 -0.161 1
1 52 . 14 1 1 A 7 7 ASP CA C 7 55.023 54.852 0.171 1
1 53 . 14 1 1 A 7 7 ASP CB C 7 41.455 41.613 -0.158 1
1 54 . 14 1 1 A 7 7 ASP N N 7 122.032 124.470 -2.438 1
1 55 . 14 1 1 A 8 8 VAL H H 8 8.662 8.990 -0.328 1
1 56 . 14 1 1 A 8 8 VAL HA H 8 4.947 4.899 0.048 1
1 64 . 14 1 1 A 8 8 VAL CA C 8 61.415 61.485 -0.070 1
1 65 . 14 1 1 A 8 8 VAL CB C 8 33.703 33.355 0.348 1
1 68 . 14 1 1 A 8 8 VAL N N 8 124.216 126.685 -2.469 1
1 69 . 14 1 1 A 9 9 ILE H H 9 9.311 9.392 -0.081 1
1 70 . 14 1 1 A 9 9 ILE HA H 9 4.963 5.096 -0.133 1
1 80 . 14 1 1 A 9 9 ILE CA C 9 59.648 59.511 0.137 1
1 81 . 14 1 1 A 9 9 ILE CB C 9 41.374 39.886 1.488 1
1 85 . 14 1 1 A 9 9 ILE N N 9 129.869 128.683 1.186 1
1 86 . 14 1 1 A 10 10 ILE H H 10 8.720 9.300 -0.580 1
1 87 . 14 1 1 A 10 10 ILE HA H 10 5.442 5.256 0.186 1
1 97 . 14 1 1 A 10 10 ILE CA C 10 58.153 58.452 -0.299 1
1 98 . 14 1 1 A 10 10 ILE CB C 10 41.947 41.130 0.817 1
1 102 . 14 1 1 A 10 10 ILE N N 10 123.598 129.292 -5.694 1
1 103 . 14 1 1 A 11 11 TYR H H 11 9.340 9.063 0.277 1
1 104 . 14 1 1 A 11 11 TYR HA H 11 5.667 5.473 0.194 1
1 111 . 14 1 1 A 11 11 TYR CA C 11 57.300 56.358 0.942 1
1 112 . 14 1 1 A 11 11 TYR CB C 11 40.550 40.073 0.477 1
1 113 . 14 1 1 A 11 11 TYR N N 11 128.888 127.872 1.016 1
1 114 . 14 1 1 A 12 12 THR H H 12 9.374 8.702 0.672 1
1 115 . 14 1 1 A 12 12 THR HA H 12 5.277 4.960 0.317 1
1 120 . 14 1 1 A 12 12 THR CA C 12 59.567 59.696 -0.129 1
1 121 . 14 1 1 A 12 12 THR CB C 12 72.183 72.111 0.072 1
1 123 . 14 1 1 A 12 12 THR N N 12 112.083 114.216 -2.133 1
1 124 . 14 1 1 A 13 13 ARG H H 13 7.379 8.000 -0.621 1
1 125 . 14 1 1 A 13 13 ARG HA H 13 4.779 4.838 -0.059 1
1 132 . 14 1 1 A 13 13 ARG CA C 13 52.961 53.725 -0.764 1
1 133 . 14 1 1 A 13 13 ARG CB C 13 31.374 31.343 0.031 1
1 136 . 14 1 1 A 13 13 ARG N N 13 113.131 121.137 -8.006 1
1 137 . 14 1 1 A 14 14 PRO HA H 14 4.276 4.514 -0.238 1
1 144 . 14 1 1 A 14 14 PRO CA C 14 63.498 62.714 0.784 1
1 145 . 14 1 1 A 14 14 PRO CB C 14 32.015 29.559 2.456 1
1 148 . 14 1 1 A 15 15 GLY H H 15 8.672 8.638 0.034 1
1 149 . 14 1 1 A 15 15 GLY HA2 H 15 3.946 4.079 -0.133 1
1 150 . 14 1 1 A 15 15 GLY HA3 H 15 3.946 4.082 -0.136 1
1 151 . 14 1 1 A 15 15 GLY N N 15 110.274 112.459 -2.185 1
1 152 . 14 1 1 A 16 16 CYS H H 16 6.985 7.724 -0.739 1
1 153 . 14 1 1 A 16 16 CYS HA H 16 4.769 4.995 -0.226 1
1 156 . 14 1 1 A 16 16 CYS CA C 16 56.315 56.573 -0.258 1
1 157 . 14 1 1 A 16 16 CYS CB C 16 31.724 31.007 0.717 1
1 158 . 14 1 1 A 16 16 CYS N N 16 124.357 115.689 8.668 1
1 159 . 14 1 1 A 17 17 PRO HA H 17 4.417 4.292 0.125 1
1 166 . 14 1 1 A 17 17 PRO CA C 17 64.516 65.093 -0.577 1
1 167 . 14 1 1 A 17 17 PRO CB C 17 32.205 31.818 0.387 1
1 170 . 14 1 1 A 18 18 TYR H H 18 9.273 7.760 1.513 1
1 171 . 14 1 1 A 18 18 TYR HA H 18 4.375 4.280 0.095 1
1 178 . 14 1 1 A 18 18 TYR CA C 18 61.227 61.035 0.192 1
1 179 . 14 1 1 A 18 18 TYR CB C 18 38.025 37.438 0.587 1
1 180 . 14 1 1 A 18 18 TYR N N 18 127.619 117.328 10.291 1
1 181 . 14 1 1 A 19 19 CYS H H 19 9.854 8.276 1.578 1
1 182 . 14 1 1 A 19 19 CYS HA H 19 3.870 4.045 -0.175 1
1 185 . 14 1 1 A 19 19 CYS CA C 19 64.810 63.053 1.757 1
1 186 . 14 1 1 A 19 19 CYS CB C 19 29.498 27.155 2.343 1
1 187 . 14 1 1 A 19 19 CYS N N 19 128.016 118.346 9.670 1
1 188 . 14 1 1 A 20 20 ALA H H 20 7.948 7.859 0.089 1
1 189 . 14 1 1 A 20 20 ALA HA H 20 3.995 4.014 -0.019 1
1 193 . 14 1 1 A 20 20 ALA CA C 20 55.804 55.329 0.475 1
1 194 . 14 1 1 A 20 20 ALA CB C 20 18.201 18.574 -0.373 1
1 195 . 14 1 1 A 20 20 ALA N N 20 121.373 122.363 -0.990 1
1 196 . 14 1 1 A 21 21 ARG H H 21 8.064 7.929 0.135 1
1 197 . 14 1 1 A 21 21 ARG HA H 21 4.159 4.060 0.099 1
1 204 . 14 1 1 A 21 21 ARG CA C 21 59.500 59.375 0.125 1
1 205 . 14 1 1 A 21 21 ARG CB C 21 30.535 30.198 0.337 1
1 208 . 14 1 1 A 21 21 ARG N N 21 119.886 117.758 2.128 1
1 209 . 14 1 1 A 22 22 ALA H H 22 8.342 7.760 0.582 1
1 210 . 14 1 1 A 22 22 ALA HA H 22 4.174 4.176 -0.002 1
1 214 . 14 1 1 A 22 22 ALA CA C 22 55.658 55.248 0.410 1
1 215 . 14 1 1 A 22 22 ALA CB C 22 19.485 18.208 1.277 1
1 216 . 14 1 1 A 22 22 ALA N N 22 125.852 121.692 4.160 1
1 217 . 14 1 1 A 23 23 LYS H H 23 7.968 8.396 -0.428 1
1 218 . 14 1 1 A 23 23 LYS HA H 23 3.243 3.829 -0.586 1
1 227 . 14 1 1 A 23 23 LYS CA C 23 60.699 59.312 1.387 1
1 228 . 14 1 1 A 23 23 LYS CB C 23 31.640 32.340 -0.700 1
1 232 . 14 1 1 A 23 23 LYS N N 23 116.539 117.448 -0.909 1
1 233 . 14 1 1 A 24 24 ALA H H 24 8.027 8.069 -0.042 1
1 234 . 14 1 1 A 24 24 ALA HA H 24 4.152 4.146 0.006 1
1 238 . 14 1 1 A 24 24 ALA CA C 24 55.067 55.156 -0.089 1
1 239 . 14 1 1 A 24 24 ALA CB C 24 18.039 18.143 -0.104 1
1 240 . 14 1 1 A 24 24 ALA N N 24 120.099 122.267 -2.168 1
1 241 . 14 1 1 A 25 25 LEU H H 25 7.184 8.334 -1.150 1
1 242 . 14 1 1 A 25 25 LEU HA H 25 4.089 4.100 -0.011 1
1 252 . 14 1 1 A 25 25 LEU CA C 25 57.761 58.110 -0.349 1
1 253 . 14 1 1 A 25 25 LEU CB C 25 40.444 42.156 -1.712 1
1 257 . 14 1 1 A 25 25 LEU N N 25 119.676 118.821 0.855 1
1 258 . 14 1 1 A 26 26 LEU H H 26 7.477 8.345 -0.868 1
1 259 . 14 1 1 A 26 26 LEU HA H 26 3.701 4.105 -0.404 1
1 269 . 14 1 1 A 26 26 LEU CA C 26 58.523 57.740 0.783 1
1 270 . 14 1 1 A 26 26 LEU CB C 26 41.105 40.805 0.300 1
1 274 . 14 1 1 A 26 26 LEU N N 26 117.225 118.528 -1.303 1
1 275 . 14 1 1 A 27 27 ALA H H 27 8.657 8.106 0.551 1
1 276 . 14 1 1 A 27 27 ALA HA H 27 4.368 4.163 0.205 1
1 280 . 14 1 1 A 27 27 ALA CA C 27 55.066 55.019 0.047 1
1 281 . 14 1 1 A 27 27 ALA CB C 27 18.137 18.262 -0.125 1
1 282 . 14 1 1 A 27 27 ALA N N 27 119.692 121.996 -2.304 1
1 283 . 14 1 1 A 28 28 ARG H H 28 8.048 7.865 0.183 1
1 284 . 14 1 1 A 28 28 ARG HA H 28 4.110 4.059 0.051 1
1 291 . 14 1 1 A 28 28 ARG CA C 28 59.249 59.374 -0.125 1
1 292 . 14 1 1 A 28 28 ARG CB C 28 29.962 29.846 0.116 1
1 295 . 14 1 1 A 28 28 ARG N N 28 121.433 118.802 2.631 1
1 296 . 14 1 1 A 29 29 LYS H H 29 7.660 7.516 0.144 1
1 297 . 14 1 1 A 29 29 LYS HA H 29 4.192 4.246 -0.054 1
1 306 . 14 1 1 A 29 29 LYS CA C 29 54.864 55.839 -0.975 1
1 307 . 14 1 1 A 29 29 LYS CB C 29 31.476 32.096 -0.620 1
1 311 . 14 1 1 A 29 29 LYS N N 29 115.942 116.297 -0.355 1
1 312 . 14 1 1 A 30 30 GLY H H 30 7.919 7.941 -0.022 1
1 313 . 14 1 1 A 30 30 GLY HA2 H 30 3.734 3.950 -0.216 1
1 314 . 14 1 1 A 30 30 GLY HA3 H 30 4.013 3.950 0.063 1
1 315 . 14 1 1 A 30 30 GLY CA C 30 45.497 45.702 -0.205 1
1 316 . 14 1 1 A 30 30 GLY N N 30 107.837 109.327 -1.490 1
1 317 . 14 1 1 A 31 31 ALA H H 31 7.830 8.035 -0.205 1
1 318 . 14 1 1 A 31 31 ALA HA H 31 4.446 4.361 0.085 1
1 322 . 14 1 1 A 31 31 ALA CA C 31 51.562 51.885 -0.323 1
1 323 . 14 1 1 A 31 31 ALA CB C 31 19.964 19.506 0.458 1
1 324 . 14 1 1 A 31 31 ALA N N 31 122.333 123.837 -1.504 1
1 325 . 14 1 1 A 32 32 GLU H H 32 8.322 8.538 -0.216 1
1 326 . 14 1 1 A 32 32 GLU HA H 32 4.173 4.253 -0.080 1
1 331 . 14 1 1 A 32 32 GLU CA C 32 55.621 56.415 -0.794 1
1 332 . 14 1 1 A 32 32 GLU CB C 32 29.734 30.016 -0.282 1
1 334 . 14 1 1 A 32 32 GLU N N 32 124.383 123.763 0.620 1
1 335 . 14 1 1 A 33 33 PHE H H 33 7.623 8.534 -0.911 1
1 336 . 14 1 1 A 33 33 PHE HA H 33 5.151 5.310 -0.159 1
1 344 . 14 1 1 A 33 33 PHE CA C 33 55.106 56.171 -1.065 1
1 345 . 14 1 1 A 33 33 PHE CB C 33 41.937 41.947 -0.010 1
1 346 . 14 1 1 A 33 33 PHE N N 33 116.953 117.253 -0.300 1
1 347 . 14 1 1 A 34 34 ASN H H 34 8.938 9.168 -0.230 1
1 348 . 14 1 1 A 34 34 ASN HA H 34 4.897 4.987 -0.090 1
1 353 . 14 1 1 A 34 34 ASN CA C 34 52.081 52.946 -0.865 1
1 354 . 14 1 1 A 34 34 ASN CB C 34 39.784 39.552 0.232 1
1 355 . 14 1 1 A 34 34 ASN N N 34 120.410 120.423 -0.013 1
1 357 . 14 1 1 A 35 35 GLU H H 35 8.764 8.999 -0.235 1
1 358 . 14 1 1 A 35 35 GLU HA H 35 5.135 4.930 0.205 1
1 363 . 14 1 1 A 35 35 GLU CA C 35 54.519 56.039 -1.520 1
1 364 . 14 1 1 A 35 35 GLU CB C 35 31.306 30.687 0.619 1
1 366 . 14 1 1 A 35 35 GLU N N 35 126.769 127.494 -0.725 1
1 367 . 14 1 1 A 36 36 ILE H H 36 8.975 8.689 0.286 1
1 368 . 14 1 1 A 36 36 ILE HA H 36 4.108 4.694 -0.586 1
1 378 . 14 1 1 A 36 36 ILE CA C 36 60.156 58.991 1.165 1
1 379 . 14 1 1 A 36 36 ILE CB C 36 40.382 42.102 -1.720 1
1 383 . 14 1 1 A 36 36 ILE N N 36 130.393 127.218 3.175 1
1 384 . 14 1 1 A 37 37 ASP H H 37 8.494 8.751 -0.257 1
1 385 . 14 1 1 A 37 37 ASP HA H 37 4.965 4.965 0.000 1
1 388 . 14 1 1 A 37 37 ASP CA C 37 52.537 53.209 -0.672 1
1 389 . 14 1 1 A 37 37 ASP CB C 37 39.350 42.455 -3.105 1
1 390 . 14 1 1 A 37 37 ASP N N 37 125.910 125.196 0.714 1
1 391 . 14 1 1 A 38 38 ALA H H 38 8.764 8.161 0.603 1
1 392 . 14 1 1 A 38 38 ALA HA H 38 4.621 4.321 0.300 1
1 396 . 14 1 1 A 38 38 ALA CA C 38 51.729 53.113 -1.384 1
1 397 . 14 1 1 A 38 38 ALA CB C 38 20.588 20.703 -0.115 1
1 398 . 14 1 1 A 38 38 ALA N N 38 130.164 123.636 6.528 1
1 399 . 14 1 1 A 39 39 SER H H 39 8.668 8.013 0.655 1
1 400 . 14 1 1 A 39 39 SER HA H 39 4.469 4.216 0.253 1
1 403 . 14 1 1 A 39 39 SER CA C 39 59.342 60.882 -1.540 1
1 404 . 14 1 1 A 39 39 SER CB C 39 64.938 62.844 2.094 1
1 405 . 14 1 1 A 39 39 SER N N 39 111.397 113.894 -2.497 1
1 406 . 14 1 1 A 40 40 ALA H H 40 7.466 7.659 -0.193 1
1 407 . 14 1 1 A 40 40 ALA HA H 40 4.136 4.075 0.061 1
1 411 . 14 1 1 A 40 40 ALA CA C 40 55.000 55.109 -0.109 1
1 412 . 14 1 1 A 40 40 ALA CB C 40 20.463 19.041 1.422 1
1 413 . 14 1 1 A 40 40 ALA N N 40 124.335 121.871 2.464 1
1 414 . 14 1 1 A 41 41 THR H H 41 7.098 7.229 -0.131 1
1 415 . 14 1 1 A 41 41 THR HA H 41 4.978 4.864 0.114 1
1 420 . 14 1 1 A 41 41 THR CA C 41 57.841 58.747 -0.906 1
1 421 . 14 1 1 A 41 41 THR CB C 41 70.742 70.534 0.208 1
1 423 . 14 1 1 A 41 41 THR N N 41 105.166 107.647 -2.481 1
1 424 . 14 1 1 A 42 42 PRO HA H 42 4.299 4.353 -0.054 1
1 431 . 14 1 1 A 42 42 PRO CA C 42 64.586 65.355 -0.769 1
1 432 . 14 1 1 A 42 42 PRO CB C 42 31.963 31.945 0.018 1
1 435 . 14 1 1 A 43 43 GLU H H 43 8.997 8.410 0.587 1
1 436 . 14 1 1 A 43 43 GLU HA H 43 4.052 4.109 -0.057 1
1 441 . 14 1 1 A 43 43 GLU CA C 43 60.694 59.550 1.144 1
1 442 . 14 1 1 A 43 43 GLU CB C 43 28.709 29.245 -0.536 1
1 444 . 14 1 1 A 43 43 GLU N N 43 118.804 118.037 0.767 1
1 445 . 14 1 1 A 44 44 LEU H H 44 7.882 8.552 -0.670 1
1 446 . 14 1 1 A 44 44 LEU HA H 44 4.285 4.100 0.185 1
1 456 . 14 1 1 A 44 44 LEU CA C 44 57.573 57.770 -0.197 1
1 457 . 14 1 1 A 44 44 LEU CB C 44 42.548 41.065 1.483 1
1 461 . 14 1 1 A 44 44 LEU N N 44 122.381 120.127 2.254 1
1 462 . 14 1 1 A 45 45 ARG H H 45 7.709 7.697 0.012 1
1 463 . 14 1 1 A 45 45 ARG HA H 45 4.026 4.145 -0.119 1
1 470 . 14 1 1 A 45 45 ARG CA C 45 60.055 58.916 1.139 1
1 471 . 14 1 1 A 45 45 ARG CB C 45 29.943 29.490 0.453 1
1 474 . 14 1 1 A 45 45 ARG N N 45 122.487 121.183 1.304 1
1 475 . 14 1 1 A 46 46 ALA H H 46 8.144 8.016 0.128 1
1 476 . 14 1 1 A 46 46 ALA HA H 46 4.074 4.288 -0.214 1
1 480 . 14 1 1 A 46 46 ALA CA C 46 54.865 55.481 -0.616 1
1 481 . 14 1 1 A 46 46 ALA CB C 46 17.777 18.330 -0.553 1
1 482 . 14 1 1 A 46 46 ALA N N 46 121.132 122.228 -1.096 1
1 483 . 14 1 1 A 47 47 GLU H H 47 7.902 8.092 -0.190 1
1 484 . 14 1 1 A 47 47 GLU HA H 47 3.995 4.077 -0.082 1
1 489 . 14 1 1 A 47 47 GLU CA C 47 59.524 59.382 0.142 1
1 490 . 14 1 1 A 47 47 GLU CB C 47 29.915 28.784 1.131 1
1 492 . 14 1 1 A 47 47 GLU N N 47 121.104 116.753 4.351 1
1 493 . 14 1 1 A 48 48 MET H H 48 7.984 7.672 0.312 1
1 494 . 14 1 1 A 48 48 MET HA H 48 2.786 4.267 -1.481 1
1 499 . 14 1 1 A 48 48 MET CA C 48 59.662 58.360 1.302 1
1 500 . 14 1 1 A 48 48 MET CB C 48 33.701 32.444 1.257 1
1 502 . 14 1 1 A 48 48 MET N N 48 118.769 120.350 -1.581 1
1 503 . 14 1 1 A 49 49 GLN H H 49 8.209 8.460 -0.251 1
1 504 . 14 1 1 A 49 49 GLN HA H 49 4.299 4.238 0.061 1
1 511 . 14 1 1 A 49 49 GLN CA C 49 58.669 58.129 0.540 1
1 512 . 14 1 1 A 49 49 GLN CB C 49 28.742 27.788 0.954 1
1 514 . 14 1 1 A 49 49 GLN N N 49 122.155 117.412 4.743 1
1 516 . 14 1 1 A 50 50 GLU H H 50 8.671 7.988 0.683 1
1 517 . 14 1 1 A 50 50 GLU HA H 50 3.904 4.072 -0.168 1
1 522 . 14 1 1 A 50 50 GLU CA C 50 59.156 59.155 0.001 1
1 523 . 14 1 1 A 50 50 GLU CB C 50 29.504 29.397 0.107 1
1 525 . 14 1 1 A 50 50 GLU N N 50 122.081 120.399 1.682 1
1 526 . 14 1 1 A 51 51 ARG H H 51 8.244 7.903 0.341 1
1 527 . 14 1 1 A 51 51 ARG HA H 51 3.993 4.087 -0.094 1
1 534 . 14 1 1 A 51 51 ARG CA C 51 58.503 59.389 -0.886 1
1 535 . 14 1 1 A 51 51 ARG CB C 51 31.363 30.293 1.070 1
1 538 . 14 1 1 A 51 51 ARG N N 51 115.848 119.856 -4.008 1
1 539 . 14 1 1 A 52 52 SER H H 52 7.994 7.713 0.281 1
1 540 . 14 1 1 A 52 52 SER HA H 52 3.674 4.318 -0.644 1
1 543 . 14 1 1 A 52 52 SER CA C 52 58.897 58.861 0.036 1
1 544 . 14 1 1 A 52 52 SER CB C 52 66.908 63.669 3.239 1
1 545 . 14 1 1 A 52 52 SER N N 52 109.721 111.467 -1.746 1
1 546 . 14 1 1 A 53 53 GLY H H 53 8.205 9.085 -0.880 1
1 547 . 14 1 1 A 53 53 GLY HA2 H 53 3.815 3.831 -0.016 1
1 548 . 14 1 1 A 53 53 GLY HA3 H 53 4.063 3.859 0.204 1
1 549 . 14 1 1 A 53 53 GLY CA C 53 46.182 45.683 0.499 1
1 550 . 14 1 1 A 53 53 GLY N N 53 112.716 109.003 3.713 1
1 551 . 14 1 1 A 54 54 ARG H H 54 8.323 7.346 0.977 1
1 552 . 14 1 1 A 54 54 ARG HA H 54 4.595 4.838 -0.243 1
1 559 . 14 1 1 A 54 54 ARG CA C 54 54.426 53.893 0.533 1
1 560 . 14 1 1 A 54 54 ARG CB C 54 35.418 34.073 1.345 1
1 563 . 14 1 1 A 54 54 ARG N N 54 119.629 119.742 -0.113 1
1 564 . 14 1 1 A 55 55 ASN H H 55 8.184 8.489 -0.305 1
1 565 . 14 1 1 A 55 55 ASN HA H 55 4.692 4.422 0.270 1
1 570 . 14 1 1 A 55 55 ASN CA C 55 51.458 56.408 -4.950 1
1 571 . 14 1 1 A 55 55 ASN N N 55 112.763 119.084 -6.321 1
1 573 . 14 1 1 A 56 56 THR H H 56 6.730 7.811 -1.081 1
1 574 . 14 1 1 A 56 56 THR HA H 56 4.309 4.764 -0.455 1
1 579 . 14 1 1 A 56 56 THR CA C 56 59.120 61.091 -1.971 1
1 580 . 14 1 1 A 56 56 THR CB C 56 70.754 71.248 -0.494 1
1 582 . 14 1 1 A 56 56 THR N N 56 107.946 107.624 0.322 1
1 583 . 14 1 1 A 57 57 PHE H H 57 8.568 9.027 -0.459 1
1 584 . 14 1 1 A 57 57 PHE HA H 57 4.641 5.099 -0.458 1
1 592 . 14 1 1 A 57 57 PHE CA C 57 54.923 55.304 -0.381 1
1 593 . 14 1 1 A 57 57 PHE CB C 57 41.272 40.569 0.703 1
1 594 . 14 1 1 A 57 57 PHE N N 57 117.566 118.270 -0.704 1
1 595 . 14 1 1 A 58 58 PRO HA H 58 5.604 4.747 0.857 1
1 602 . 14 1 1 A 58 58 PRO CA C 58 62.749 62.660 0.089 1
1 603 . 14 1 1 A 58 58 PRO CB C 58 36.563 31.727 4.836 1
1 606 . 14 1 1 A 59 59 GLN H H 59 7.926 8.588 -0.662 1
1 607 . 14 1 1 A 59 59 GLN HA H 59 4.813 4.767 0.046 1
1 614 . 14 1 1 A 59 59 GLN CA C 59 55.111 54.818 0.293 1
1 615 . 14 1 1 A 59 59 GLN CB C 59 31.737 29.994 1.743 1
1 617 . 14 1 1 A 59 59 GLN N N 59 112.301 121.466 -9.165 1
1 619 . 14 1 1 A 60 60 ILE H H 60 8.936 8.921 0.015 1
1 620 . 14 1 1 A 60 60 ILE HA H 60 4.933 4.226 0.707 1
1 630 . 14 1 1 A 60 60 ILE CA C 60 61.288 60.032 1.256 1
1 631 . 14 1 1 A 60 60 ILE CB C 60 40.912 38.594 2.318 1
1 635 . 14 1 1 A 60 60 ILE N N 60 123.133 124.236 -1.103 1
1 636 . 14 1 1 A 61 61 PHE H H 61 9.629 9.015 0.614 1
1 637 . 14 1 1 A 61 61 PHE HA H 61 5.354 5.169 0.185 1
1 645 . 14 1 1 A 61 61 PHE CA C 61 56.630 57.113 -0.483 1
1 646 . 14 1 1 A 61 61 PHE CB C 61 41.883 40.088 1.795 1
1 647 . 14 1 1 A 61 61 PHE N N 61 128.347 127.021 1.326 1
1 648 . 14 1 1 A 62 62 ILE H H 62 9.070 8.861 0.209 1
1 649 . 14 1 1 A 62 62 ILE HA H 62 4.587 4.561 0.026 1
1 659 . 14 1 1 A 62 62 ILE CA C 62 60.903 60.283 0.620 1
1 660 . 14 1 1 A 62 62 ILE CB C 62 39.789 39.000 0.789 1
1 664 . 14 1 1 A 62 62 ILE N N 62 122.709 123.788 -1.079 1
1 665 . 14 1 1 A 63 63 GLY H H 63 9.303 8.678 0.625 1
1 666 . 14 1 1 A 63 63 GLY HA2 H 63 3.889 3.885 0.004 1
1 667 . 14 1 1 A 63 63 GLY HA3 H 63 4.081 3.885 0.196 1
1 668 . 14 1 1 A 63 63 GLY CA C 63 47.216 47.352 -0.136 1
1 669 . 14 1 1 A 63 63 GLY N N 63 116.351 118.421 -2.070 1
1 670 . 14 1 1 A 64 64 SER H H 64 9.242 8.203 1.039 1
1 671 . 14 1 1 A 64 64 SER HA H 64 4.525 4.625 -0.100 1
1 674 . 14 1 1 A 64 64 SER CA C 64 59.046 57.556 1.490 1
1 675 . 14 1 1 A 64 64 SER CB C 64 63.900 63.846 0.054 1
1 676 . 14 1 1 A 64 64 SER N N 64 122.307 121.245 1.062 1
1 677 . 14 1 1 A 65 65 VAL H H 65 8.475 7.606 0.869 1
1 678 . 14 1 1 A 65 65 VAL HA H 65 4.013 4.782 -0.769 1
1 686 . 14 1 1 A 65 65 VAL CA C 65 62.737 60.434 2.303 1
1 687 . 14 1 1 A 65 65 VAL CB C 65 33.308 35.663 -2.355 1
1 690 . 14 1 1 A 65 65 VAL N N 65 124.659 120.720 3.939 1
1 691 . 14 1 1 A 66 66 HIS H H 66 8.968 8.998 -0.030 1
1 692 . 14 1 1 A 66 66 HIS HA H 66 4.337 5.279 -0.942 1
1 698 . 14 1 1 A 66 66 HIS CA C 66 54.409 54.588 -0.179 1
1 699 . 14 1 1 A 66 66 HIS CB C 66 31.099 30.477 0.622 1
1 700 . 14 1 1 A 66 66 HIS N N 66 128.172 126.310 1.862 1
1 701 . 14 1 1 A 67 67 VAL H H 67 8.148 8.971 -0.823 1
1 702 . 14 1 1 A 67 67 VAL HA H 67 3.329 3.755 -0.426 1
1 710 . 14 1 1 A 67 67 VAL CA C 67 64.129 65.586 -1.457 1
1 711 . 14 1 1 A 67 67 VAL CB C 67 32.554 32.218 0.336 1
1 714 . 14 1 1 A 67 67 VAL N N 67 130.509 127.560 2.949 1
1 715 . 14 1 1 A 68 68 GLY H H 68 6.365 7.453 -1.088 1
1 716 . 14 1 1 A 68 68 GLY HA2 H 68 3.003 4.153 -1.150 1
1 717 . 14 1 1 A 68 68 GLY HA3 H 68 4.513 4.201 0.312 1
1 718 . 14 1 1 A 68 68 GLY CA C 68 43.722 45.799 -2.077 1
1 719 . 14 1 1 A 68 68 GLY N N 68 102.729 105.894 -3.165 1
1 720 . 14 1 1 A 69 69 GLY H H 69 9.087 8.665 0.422 1
1 721 . 14 1 1 A 69 69 GLY HA2 H 69 3.752 4.158 -0.406 1
1 722 . 14 1 1 A 69 69 GLY HA3 H 69 4.633 4.422 0.211 1
1 723 . 14 1 1 A 69 69 GLY CA C 69 43.851 44.802 -0.951 1
1 724 . 14 1 1 A 69 69 GLY N N 69 110.274 112.325 -2.051 1
1 725 . 14 1 1 A 70 70 CYS H H 70 8.467 8.997 -0.530 1
1 726 . 14 1 1 A 70 70 CYS HA H 70 3.806 4.097 -0.291 1
1 729 . 14 1 1 A 70 70 CYS CA C 70 63.366 62.521 0.845 1
1 730 . 14 1 1 A 70 70 CYS CB C 70 27.642 26.739 0.903 1
1 731 . 14 1 1 A 70 70 CYS N N 70 118.787 118.266 0.521 1
1 732 . 14 1 1 A 71 71 ASP HA H 71 4.398 4.247 0.151 1
1 735 . 14 1 1 A 71 71 ASP CA C 71 57.405 57.581 -0.176 1
1 736 . 14 1 1 A 71 71 ASP CB C 71 39.058 40.075 -1.017 1
1 737 . 14 1 1 A 72 72 ASP H H 72 7.266 8.069 -0.803 1
1 738 . 14 1 1 A 72 72 ASP HA H 72 4.285 4.422 -0.137 1
1 741 . 14 1 1 A 72 72 ASP CA C 72 57.322 57.386 -0.064 1
1 742 . 14 1 1 A 72 72 ASP CB C 72 41.553 40.747 0.806 1
1 743 . 14 1 1 A 72 72 ASP N N 72 119.650 119.568 0.082 1
1 744 . 14 1 1 A 73 73 LEU H H 73 7.755 8.467 -0.712 1
1 745 . 14 1 1 A 73 73 LEU HA H 73 3.736 4.106 -0.370 1
1 755 . 14 1 1 A 73 73 LEU CA C 73 58.272 57.969 0.303 1
1 756 . 14 1 1 A 73 73 LEU CB C 73 41.995 41.829 0.166 1
1 760 . 14 1 1 A 73 73 LEU N N 73 121.526 120.650 0.876 1
1 761 . 14 1 1 A 74 74 TYR H H 74 8.244 8.480 -0.236 1
1 762 . 14 1 1 A 74 74 TYR HA H 74 3.697 4.065 -0.368 1
1 769 . 14 1 1 A 74 74 TYR CA C 74 62.802 61.600 1.202 1
1 770 . 14 1 1 A 74 74 TYR CB C 74 37.819 37.724 0.095 1
1 771 . 14 1 1 A 74 74 TYR N N 74 116.552 118.094 -1.542 1
1 772 . 14 1 1 A 75 75 ALA H H 75 8.169 8.273 -0.104 1
1 773 . 14 1 1 A 75 75 ALA HA H 75 4.286 4.178 0.108 1
1 777 . 14 1 1 A 75 75 ALA CA C 75 55.465 54.984 0.481 1
1 778 . 14 1 1 A 75 75 ALA CB C 75 17.722 18.514 -0.792 1
1 779 . 14 1 1 A 75 75 ALA N N 75 122.825 123.175 -0.350 1
1 780 . 14 1 1 A 76 76 LEU H H 76 7.353 8.478 -1.125 1
1 781 . 14 1 1 A 76 76 LEU HA H 76 4.003 4.076 -0.073 1
1 791 . 14 1 1 A 76 76 LEU CA C 76 57.687 57.849 -0.162 1
1 792 . 14 1 1 A 76 76 LEU CB C 76 42.753 41.620 1.133 1
1 796 . 14 1 1 A 76 76 LEU N N 76 116.756 120.562 -3.806 1
1 797 . 14 1 1 A 77 77 GLU H H 77 7.420 8.392 -0.972 1
1 798 . 14 1 1 A 77 77 GLU HA H 77 4.575 4.055 0.520 1
1 803 . 14 1 1 A 77 77 GLU CA C 77 57.962 58.885 -0.923 1
1 804 . 14 1 1 A 77 77 GLU CB C 77 28.292 28.560 -0.268 1
1 806 . 14 1 1 A 77 77 GLU N N 77 121.356 117.735 3.621 1
1 807 . 14 1 1 A 78 78 ASP H H 78 8.637 7.645 0.992 1
1 808 . 14 1 1 A 78 78 ASP HA H 78 4.399 4.389 0.010 1
1 811 . 14 1 1 A 78 78 ASP CA C 78 57.569 56.492 1.077 1
1 812 . 14 1 1 A 78 78 ASP CB C 78 40.715 40.905 -0.190 1
1 813 . 14 1 1 A 78 78 ASP N N 78 123.396 120.688 2.708 1
1 814 . 14 1 1 A 79 79 GLU H H 79 7.773 8.120 -0.347 1
1 815 . 14 1 1 A 79 79 GLU HA H 79 4.283 4.404 -0.121 1
1 820 . 14 1 1 A 79 79 GLU CA C 79 56.357 56.223 0.134 1
1 821 . 14 1 1 A 79 79 GLU CB C 79 30.855 30.912 -0.057 1
1 823 . 14 1 1 A 79 79 GLU N N 79 115.336 116.257 -0.921 1
1 824 . 14 1 1 A 80 80 GLY H H 80 8.050 7.932 0.118 1
1 825 . 14 1 1 A 80 80 GLY HA2 H 80 4.031 3.980 0.051 1
1 826 . 14 1 1 A 80 80 GLY HA3 H 80 4.031 3.981 0.050 1
1 827 . 14 1 1 A 80 80 GLY CA C 80 46.314 46.145 0.169 1
1 828 . 14 1 1 A 80 80 GLY N N 80 108.957 108.455 0.502 1
1 829 . 14 1 1 A 81 81 LYS H H 81 8.188 7.642 0.546 1
1 830 . 14 1 1 A 81 81 LYS HA H 81 4.415 4.365 0.050 1
1 839 . 14 1 1 A 81 81 LYS CA C 81 56.716 56.435 0.281 1
1 840 . 14 1 1 A 81 81 LYS CB C 81 35.935 33.191 2.744 1
1 844 . 14 1 1 A 81 81 LYS N N 81 116.879 118.243 -1.364 1
1 845 . 14 1 1 A 82 82 LEU H H 82 7.499 8.001 -0.502 1
1 846 . 14 1 1 A 82 82 LEU HA H 82 3.977 4.007 -0.030 1
1 856 . 14 1 1 A 82 82 LEU CA C 82 57.480 58.185 -0.705 1
1 857 . 14 1 1 A 82 82 LEU CB C 82 40.489 41.336 -0.847 1
1 861 . 14 1 1 A 82 82 LEU N N 82 122.734 122.500 0.234 1
1 862 . 14 1 1 A 83 83 ASP H H 83 8.625 8.134 0.491 1
1 863 . 14 1 1 A 83 83 ASP HA H 83 4.248 4.412 -0.164 1
1 866 . 14 1 1 A 83 83 ASP CA C 83 58.680 57.541 1.139 1
1 867 . 14 1 1 A 83 83 ASP CB C 83 40.149 42.223 -2.074 1
1 868 . 14 1 1 A 83 83 ASP N N 83 119.728 119.600 0.128 1
1 869 . 14 1 1 A 84 84 SER H H 84 8.426 7.948 0.478 1
1 870 . 14 1 1 A 84 84 SER HA H 84 4.219 4.321 -0.102 1
1 873 . 14 1 1 A 84 84 SER CA C 84 61.473 62.092 -0.619 1
1 874 . 14 1 1 A 84 84 SER CB C 84 62.589 63.215 -0.626 1
1 875 . 14 1 1 A 84 84 SER N N 84 113.454 116.047 -2.593 1
1 876 . 14 1 1 A 85 85 LEU H H 85 7.551 8.379 -0.828 1
1 877 . 14 1 1 A 85 85 LEU HA H 85 4.319 4.032 0.287 1
1 887 . 14 1 1 A 85 85 LEU CA C 85 58.355 57.989 0.366 1
1 888 . 14 1 1 A 85 85 LEU CB C 85 41.588 41.712 -0.124 1
1 892 . 14 1 1 A 85 85 LEU N N 85 126.500 120.720 5.780 1
1 893 . 14 1 1 A 86 86 LEU H H 86 8.382 7.868 0.514 1
1 894 . 14 1 1 A 86 86 LEU HA H 86 3.827 4.093 -0.266 1
1 904 . 14 1 1 A 86 86 LEU CA C 86 57.826 57.687 0.139 1
1 905 . 14 1 1 A 86 86 LEU CB C 86 41.840 41.395 0.445 1
1 909 . 14 1 1 A 86 86 LEU N N 86 117.962 115.556 2.406 1
1 910 . 14 1 1 A 87 87 LYS H H 87 7.522 8.188 -0.666 1
1 911 . 14 1 1 A 87 87 LYS HA H 87 4.331 4.107 0.224 1
1 920 . 14 1 1 A 87 87 LYS CA C 87 58.325 59.224 -0.899 1
1 921 . 14 1 1 A 87 87 LYS CB C 87 34.043 32.833 1.210 1
1 925 . 14 1 1 A 87 87 LYS N N 87 114.198 118.629 -4.431 1
1 926 . 14 1 1 A 88 88 THR H H 88 8.165 8.162 0.003 1
1 927 . 14 1 1 A 88 88 THR HA H 88 4.507 4.355 0.152 1
1 932 . 14 1 1 A 88 88 THR CA C 88 62.385 63.409 -1.024 1
1 933 . 14 1 1 A 88 88 THR CB C 88 72.525 69.726 2.799 1
1 935 . 14 1 1 A 88 88 THR N N 88 106.021 111.143 -5.122 1
1 936 . 14 1 1 A 89 89 GLY H H 89 9.139 8.664 0.475 1
1 937 . 14 1 1 A 89 89 GLY HA2 H 89 3.612 3.936 -0.324 1
1 938 . 14 1 1 A 89 89 GLY HA3 H 89 4.204 3.942 0.262 1
1 939 . 14 1 1 A 89 89 GLY CA C 89 46.770 45.633 1.137 1
1 940 . 14 1 1 A 89 89 GLY N N 89 112.926 109.564 3.362 1
1 941 . 14 1 1 A 90 90 LYS H H 90 7.933 7.614 0.319 1
1 942 . 14 1 1 A 90 90 LYS HA H 90 4.459 4.942 -0.483 1
1 951 . 14 1 1 A 90 90 LYS CA C 90 54.576 54.200 0.376 1
1 952 . 14 1 1 A 90 90 LYS CB C 90 35.788 35.819 -0.031 1
1 956 . 14 1 1 A 90 90 LYS N N 90 117.810 115.624 2.186 1
1 957 . 14 1 1 A 91 91 LEU H H 91 8.487 8.697 -0.210 1
1 958 . 14 1 1 A 91 91 LEU HA H 91 4.423 4.335 0.088 1
1 968 . 14 1 1 A 91 91 LEU CA C 91 54.491 55.819 -1.328 1
1 969 . 14 1 1 A 91 91 LEU CB C 91 43.083 41.825 1.258 1
1 973 . 14 1 1 A 91 91 LEU N N 91 123.364 120.807 2.557 1
1 1 . 15 1 1 A 2 2 PRO HA H 2 4.444 4.632 -0.188 1
1 8 . 15 1 1 A 2 2 PRO CA C 2 63.468 63.191 0.277 1
1 9 . 15 1 1 A 2 2 PRO CB C 2 32.153 30.583 1.570 1
1 12 . 15 1 1 A 3 3 GLY H H 3 8.672 7.905 0.767 1
1 13 . 15 1 1 A 3 3 GLY HA2 H 3 4.759 4.170 0.589 1
1 14 . 15 1 1 A 3 3 GLY HA3 H 3 4.759 4.170 0.589 1
1 15 . 15 1 1 A 3 3 GLY CA C 3 45.323 45.703 -0.380 1
1 16 . 15 1 1 A 3 3 GLY N N 3 110.465 110.349 0.116 1
1 17 . 15 1 1 A 4 4 SER H H 4 8.201 8.143 0.058 1
1 18 . 15 1 1 A 4 4 SER HA H 4 4.454 5.251 -0.797 1
1 21 . 15 1 1 A 4 4 SER CA C 4 58.370 57.676 0.694 1
1 22 . 15 1 1 A 4 4 SER CB C 4 64.049 66.141 -2.092 1
1 23 . 15 1 1 A 4 4 SER N N 4 115.747 115.185 0.562 1
1 24 . 15 1 1 A 5 5 MET H H 5 8.315 8.806 -0.491 1
1 25 . 15 1 1 A 5 5 MET HA H 5 4.675 4.913 -0.238 1
1 30 . 15 1 1 A 5 5 MET CA C 5 55.466 54.403 1.063 1
1 31 . 15 1 1 A 5 5 MET CB C 5 34.462 36.266 -1.804 1
1 33 . 15 1 1 A 5 5 MET N N 5 121.679 123.917 -2.238 1
1 34 . 15 1 1 A 6 6 VAL H H 6 8.169 8.782 -0.613 1
1 35 . 15 1 1 A 6 6 VAL HA H 6 4.141 4.780 -0.639 1
1 43 . 15 1 1 A 6 6 VAL CA C 6 61.395 59.083 2.312 1
1 44 . 15 1 1 A 6 6 VAL CB C 6 32.669 35.060 -2.391 1
1 47 . 15 1 1 A 6 6 VAL N N 6 118.330 118.812 -0.482 1
1 48 . 15 1 1 A 7 7 ASP H H 7 8.335 8.747 -0.412 1
1 49 . 15 1 1 A 7 7 ASP HA H 7 4.526 4.764 -0.238 1
1 52 . 15 1 1 A 7 7 ASP CA C 7 55.023 54.734 0.289 1
1 53 . 15 1 1 A 7 7 ASP CB C 7 41.455 40.986 0.469 1
1 54 . 15 1 1 A 7 7 ASP N N 7 122.032 123.114 -1.082 1
1 55 . 15 1 1 A 8 8 VAL H H 8 8.662 9.035 -0.373 1
1 56 . 15 1 1 A 8 8 VAL HA H 8 4.947 5.014 -0.067 1
1 64 . 15 1 1 A 8 8 VAL CA C 8 61.415 61.577 -0.162 1
1 65 . 15 1 1 A 8 8 VAL CB C 8 33.703 33.298 0.405 1
1 68 . 15 1 1 A 8 8 VAL N N 8 124.216 125.606 -1.390 1
1 69 . 15 1 1 A 9 9 ILE H H 9 9.311 9.374 -0.063 1
1 70 . 15 1 1 A 9 9 ILE HA H 9 4.963 5.185 -0.222 1
1 80 . 15 1 1 A 9 9 ILE CA C 9 59.648 59.742 -0.094 1
1 81 . 15 1 1 A 9 9 ILE CB C 9 41.374 41.087 0.287 1
1 85 . 15 1 1 A 9 9 ILE N N 9 129.869 126.971 2.898 1
1 86 . 15 1 1 A 10 10 ILE H H 10 8.720 9.305 -0.585 1
1 87 . 15 1 1 A 10 10 ILE HA H 10 5.442 5.243 0.199 1
1 97 . 15 1 1 A 10 10 ILE CA C 10 58.153 58.319 -0.166 1
1 98 . 15 1 1 A 10 10 ILE CB C 10 41.947 41.574 0.373 1
1 102 . 15 1 1 A 10 10 ILE N N 10 123.598 127.626 -4.028 1
1 103 . 15 1 1 A 11 11 TYR H H 11 9.340 8.577 0.763 1
1 104 . 15 1 1 A 11 11 TYR HA H 11 5.667 5.568 0.099 1
1 111 . 15 1 1 A 11 11 TYR CA C 11 57.300 56.291 1.009 1
1 112 . 15 1 1 A 11 11 TYR CB C 11 40.550 40.029 0.521 1
1 113 . 15 1 1 A 11 11 TYR N N 11 128.888 127.501 1.387 1
1 114 . 15 1 1 A 12 12 THR H H 12 9.374 8.787 0.587 1
1 115 . 15 1 1 A 12 12 THR HA H 12 5.277 4.899 0.378 1
1 120 . 15 1 1 A 12 12 THR CA C 12 59.567 59.614 -0.047 1
1 121 . 15 1 1 A 12 12 THR CB C 12 72.183 71.817 0.366 1
1 123 . 15 1 1 A 12 12 THR N N 12 112.083 117.963 -5.880 1
1 124 . 15 1 1 A 13 13 ARG H H 13 7.379 8.848 -1.469 1
1 125 . 15 1 1 A 13 13 ARG HA H 13 4.779 5.084 -0.305 1
1 132 . 15 1 1 A 13 13 ARG CA C 13 52.961 53.505 -0.544 1
1 133 . 15 1 1 A 13 13 ARG CB C 13 31.374 32.253 -0.879 1
1 136 . 15 1 1 A 13 13 ARG N N 13 113.131 123.556 -10.425 1
1 137 . 15 1 1 A 14 14 PRO HA H 14 4.276 4.294 -0.018 1
1 144 . 15 1 1 A 14 14 PRO CA C 14 63.498 63.800 -0.302 1
1 145 . 15 1 1 A 14 14 PRO CB C 14 32.015 31.332 0.683 1
1 148 . 15 1 1 A 15 15 GLY H H 15 8.672 8.825 -0.153 1
1 149 . 15 1 1 A 15 15 GLY HA2 H 15 3.946 3.901 0.045 1
1 150 . 15 1 1 A 15 15 GLY HA3 H 15 3.946 3.905 0.041 1
1 151 . 15 1 1 A 15 15 GLY N N 15 110.274 112.313 -2.039 1
1 152 . 15 1 1 A 16 16 CYS H H 16 6.985 7.443 -0.458 1
1 153 . 15 1 1 A 16 16 CYS HA H 16 4.769 4.727 0.042 1
1 156 . 15 1 1 A 16 16 CYS CA C 16 56.315 56.164 0.151 1
1 157 . 15 1 1 A 16 16 CYS CB C 16 31.724 28.619 3.105 1
1 158 . 15 1 1 A 16 16 CYS N N 16 124.357 119.621 4.736 1
1 159 . 15 1 1 A 17 17 PRO HA H 17 4.417 4.266 0.151 1
1 166 . 15 1 1 A 17 17 PRO CA C 17 64.516 65.592 -1.076 1
1 167 . 15 1 1 A 17 17 PRO CB C 17 32.205 31.563 0.642 1
1 170 . 15 1 1 A 18 18 TYR H H 18 9.273 7.572 1.701 1
1 171 . 15 1 1 A 18 18 TYR HA H 18 4.375 4.241 0.134 1
1 178 . 15 1 1 A 18 18 TYR CA C 18 61.227 61.307 -0.080 1
1 179 . 15 1 1 A 18 18 TYR CB C 18 38.025 37.505 0.520 1
1 180 . 15 1 1 A 18 18 TYR N N 18 127.619 117.615 10.004 1
1 181 . 15 1 1 A 19 19 CYS H H 19 9.854 8.310 1.544 1
1 182 . 15 1 1 A 19 19 CYS HA H 19 3.870 4.084 -0.214 1
1 185 . 15 1 1 A 19 19 CYS CA C 19 64.810 63.231 1.579 1
1 186 . 15 1 1 A 19 19 CYS CB C 19 29.498 27.266 2.232 1
1 187 . 15 1 1 A 19 19 CYS N N 19 128.016 118.543 9.473 1
1 188 . 15 1 1 A 20 20 ALA H H 20 7.948 8.105 -0.157 1
1 189 . 15 1 1 A 20 20 ALA HA H 20 3.995 3.964 0.031 1
1 193 . 15 1 1 A 20 20 ALA CA C 20 55.804 55.420 0.384 1
1 194 . 15 1 1 A 20 20 ALA CB C 20 18.201 18.261 -0.060 1
1 195 . 15 1 1 A 20 20 ALA N N 20 121.373 122.222 -0.849 1
1 196 . 15 1 1 A 21 21 ARG H H 21 8.064 8.073 -0.009 1
1 197 . 15 1 1 A 21 21 ARG HA H 21 4.159 4.060 0.099 1
1 204 . 15 1 1 A 21 21 ARG CA C 21 59.500 59.506 -0.006 1
1 205 . 15 1 1 A 21 21 ARG CB C 21 30.535 30.094 0.441 1
1 208 . 15 1 1 A 21 21 ARG N N 21 119.886 118.397 1.489 1
1 209 . 15 1 1 A 22 22 ALA H H 22 8.342 7.761 0.581 1
1 210 . 15 1 1 A 22 22 ALA HA H 22 4.174 4.180 -0.006 1
1 214 . 15 1 1 A 22 22 ALA CA C 22 55.658 55.399 0.259 1
1 215 . 15 1 1 A 22 22 ALA CB C 22 19.485 18.480 1.005 1
1 216 . 15 1 1 A 22 22 ALA N N 22 125.852 121.464 4.388 1
1 217 . 15 1 1 A 23 23 LYS H H 23 7.968 8.225 -0.257 1
1 218 . 15 1 1 A 23 23 LYS HA H 23 3.243 3.901 -0.658 1
1 227 . 15 1 1 A 23 23 LYS CA C 23 60.699 59.668 1.031 1
1 228 . 15 1 1 A 23 23 LYS CB C 23 31.640 32.593 -0.953 1
1 232 . 15 1 1 A 23 23 LYS N N 23 116.539 116.995 -0.456 1
1 233 . 15 1 1 A 24 24 ALA H H 24 8.027 8.035 -0.008 1
1 234 . 15 1 1 A 24 24 ALA HA H 24 4.152 4.177 -0.025 1
1 238 . 15 1 1 A 24 24 ALA CA C 24 55.067 55.032 0.035 1
1 239 . 15 1 1 A 24 24 ALA CB C 24 18.039 18.544 -0.505 1
1 240 . 15 1 1 A 24 24 ALA N N 24 120.099 122.350 -2.251 1
1 241 . 15 1 1 A 25 25 LEU H H 25 7.184 8.258 -1.074 1
1 242 . 15 1 1 A 25 25 LEU HA H 25 4.089 4.123 -0.034 1
1 252 . 15 1 1 A 25 25 LEU CA C 25 57.761 57.769 -0.008 1
1 253 . 15 1 1 A 25 25 LEU CB C 25 40.444 41.666 -1.222 1
1 257 . 15 1 1 A 25 25 LEU N N 25 119.676 120.037 -0.361 1
1 258 . 15 1 1 A 26 26 LEU H H 26 7.477 8.281 -0.804 1
1 259 . 15 1 1 A 26 26 LEU HA H 26 3.701 4.224 -0.523 1
1 269 . 15 1 1 A 26 26 LEU CA C 26 58.523 57.441 1.082 1
1 270 . 15 1 1 A 26 26 LEU CB C 26 41.105 41.267 -0.162 1
1 274 . 15 1 1 A 26 26 LEU N N 26 117.225 118.312 -1.087 1
1 275 . 15 1 1 A 27 27 ALA H H 27 8.657 8.110 0.547 1
1 276 . 15 1 1 A 27 27 ALA HA H 27 4.368 4.183 0.185 1
1 280 . 15 1 1 A 27 27 ALA CA C 27 55.066 55.048 0.018 1
1 281 . 15 1 1 A 27 27 ALA CB C 27 18.137 18.383 -0.246 1
1 282 . 15 1 1 A 27 27 ALA N N 27 119.692 122.168 -2.476 1
1 283 . 15 1 1 A 28 28 ARG H H 28 8.048 7.909 0.139 1
1 284 . 15 1 1 A 28 28 ARG HA H 28 4.110 4.034 0.076 1
1 291 . 15 1 1 A 28 28 ARG CA C 28 59.249 59.494 -0.245 1
1 292 . 15 1 1 A 28 28 ARG CB C 28 29.962 30.055 -0.093 1
1 295 . 15 1 1 A 28 28 ARG N N 28 121.433 119.103 2.330 1
1 296 . 15 1 1 A 29 29 LYS H H 29 7.660 7.910 -0.250 1
1 297 . 15 1 1 A 29 29 LYS HA H 29 4.192 4.231 -0.039 1
1 306 . 15 1 1 A 29 29 LYS CA C 29 54.864 55.848 -0.984 1
1 307 . 15 1 1 A 29 29 LYS CB C 29 31.476 32.017 -0.541 1
1 311 . 15 1 1 A 29 29 LYS N N 29 115.942 115.963 -0.021 1
1 312 . 15 1 1 A 30 30 GLY H H 30 7.919 7.764 0.155 1
1 313 . 15 1 1 A 30 30 GLY HA2 H 30 3.734 3.981 -0.247 1
1 314 . 15 1 1 A 30 30 GLY HA3 H 30 4.013 3.983 0.030 1
1 315 . 15 1 1 A 30 30 GLY CA C 30 45.497 45.061 0.436 1
1 316 . 15 1 1 A 30 30 GLY N N 30 107.837 109.122 -1.285 1
1 317 . 15 1 1 A 31 31 ALA H H 31 7.830 8.031 -0.201 1
1 318 . 15 1 1 A 31 31 ALA HA H 31 4.446 4.307 0.139 1
1 322 . 15 1 1 A 31 31 ALA CA C 31 51.562 52.661 -1.099 1
1 323 . 15 1 1 A 31 31 ALA CB C 31 19.964 19.373 0.591 1
1 324 . 15 1 1 A 31 31 ALA N N 31 122.333 124.205 -1.872 1
1 325 . 15 1 1 A 32 32 GLU H H 32 8.322 8.691 -0.369 1
1 326 . 15 1 1 A 32 32 GLU HA H 32 4.173 4.568 -0.395 1
1 331 . 15 1 1 A 32 32 GLU CA C 32 55.621 56.219 -0.598 1
1 332 . 15 1 1 A 32 32 GLU CB C 32 29.734 31.019 -1.285 1
1 334 . 15 1 1 A 32 32 GLU N N 32 124.383 124.057 0.326 1
1 335 . 15 1 1 A 33 33 PHE H H 33 7.623 8.504 -0.881 1
1 336 . 15 1 1 A 33 33 PHE HA H 33 5.151 5.280 -0.129 1
1 344 . 15 1 1 A 33 33 PHE CA C 33 55.106 56.101 -0.995 1
1 345 . 15 1 1 A 33 33 PHE CB C 33 41.937 41.978 -0.041 1
1 346 . 15 1 1 A 33 33 PHE N N 33 116.953 118.353 -1.400 1
1 347 . 15 1 1 A 34 34 ASN H H 34 8.938 9.009 -0.071 1
1 348 . 15 1 1 A 34 34 ASN HA H 34 4.897 4.873 0.024 1
1 353 . 15 1 1 A 34 34 ASN CA C 34 52.081 53.438 -1.357 1
1 354 . 15 1 1 A 34 34 ASN CB C 34 39.784 39.188 0.596 1
1 355 . 15 1 1 A 34 34 ASN N N 34 120.410 120.390 0.020 1
1 357 . 15 1 1 A 35 35 GLU H H 35 8.764 8.882 -0.118 1
1 358 . 15 1 1 A 35 35 GLU HA H 35 5.135 4.953 0.182 1
1 363 . 15 1 1 A 35 35 GLU CA C 35 54.519 56.035 -1.516 1
1 364 . 15 1 1 A 35 35 GLU CB C 35 31.306 30.739 0.567 1
1 366 . 15 1 1 A 35 35 GLU N N 35 126.769 127.423 -0.654 1
1 367 . 15 1 1 A 36 36 ILE H H 36 8.975 8.643 0.332 1
1 368 . 15 1 1 A 36 36 ILE HA H 36 4.108 4.799 -0.691 1
1 378 . 15 1 1 A 36 36 ILE CA C 36 60.156 58.924 1.232 1
1 379 . 15 1 1 A 36 36 ILE CB C 36 40.382 41.743 -1.361 1
1 383 . 15 1 1 A 36 36 ILE N N 36 130.393 127.097 3.296 1
1 384 . 15 1 1 A 37 37 ASP H H 37 8.494 8.640 -0.146 1
1 385 . 15 1 1 A 37 37 ASP HA H 37 4.965 5.201 -0.236 1
1 388 . 15 1 1 A 37 37 ASP CA C 37 52.537 52.673 -0.136 1
1 389 . 15 1 1 A 37 37 ASP CB C 37 39.350 43.295 -3.945 1
1 390 . 15 1 1 A 37 37 ASP N N 37 125.910 124.461 1.449 1
1 391 . 15 1 1 A 38 38 ALA H H 38 8.764 8.053 0.711 1
1 392 . 15 1 1 A 38 38 ALA HA H 38 4.621 4.278 0.343 1
1 396 . 15 1 1 A 38 38 ALA CA C 38 51.729 52.789 -1.060 1
1 397 . 15 1 1 A 38 38 ALA CB C 38 20.588 20.866 -0.278 1
1 398 . 15 1 1 A 38 38 ALA N N 38 130.164 123.711 6.453 1
1 399 . 15 1 1 A 39 39 SER H H 39 8.668 8.207 0.461 1
1 400 . 15 1 1 A 39 39 SER HA H 39 4.469 4.075 0.394 1
1 403 . 15 1 1 A 39 39 SER CA C 39 59.342 61.212 -1.870 1
1 404 . 15 1 1 A 39 39 SER CB C 39 64.938 63.209 1.729 1
1 405 . 15 1 1 A 39 39 SER N N 39 111.397 113.759 -2.362 1
1 406 . 15 1 1 A 40 40 ALA H H 40 7.466 7.774 -0.308 1
1 407 . 15 1 1 A 40 40 ALA HA H 40 4.136 4.075 0.061 1
1 411 . 15 1 1 A 40 40 ALA CA C 40 55.000 55.116 -0.116 1
1 412 . 15 1 1 A 40 40 ALA CB C 40 20.463 18.982 1.481 1
1 413 . 15 1 1 A 40 40 ALA N N 40 124.335 122.038 2.297 1
1 414 . 15 1 1 A 41 41 THR H H 41 7.098 7.445 -0.347 1
1 415 . 15 1 1 A 41 41 THR HA H 41 4.978 4.867 0.111 1
1 420 . 15 1 1 A 41 41 THR CA C 41 57.841 58.711 -0.870 1
1 421 . 15 1 1 A 41 41 THR CB C 41 70.742 70.341 0.401 1
1 423 . 15 1 1 A 41 41 THR N N 41 105.166 108.081 -2.915 1
1 424 . 15 1 1 A 42 42 PRO HA H 42 4.299 4.366 -0.067 1
1 431 . 15 1 1 A 42 42 PRO CA C 42 64.586 65.347 -0.761 1
1 432 . 15 1 1 A 42 42 PRO CB C 42 31.963 31.946 0.017 1
1 435 . 15 1 1 A 43 43 GLU H H 43 8.997 8.418 0.579 1
1 436 . 15 1 1 A 43 43 GLU HA H 43 4.052 4.106 -0.054 1
1 441 . 15 1 1 A 43 43 GLU CA C 43 60.694 59.439 1.255 1
1 442 . 15 1 1 A 43 43 GLU CB C 43 28.709 29.215 -0.506 1
1 444 . 15 1 1 A 43 43 GLU N N 43 118.804 118.068 0.736 1
1 445 . 15 1 1 A 44 44 LEU H H 44 7.882 8.350 -0.468 1
1 446 . 15 1 1 A 44 44 LEU HA H 44 4.285 4.152 0.133 1
1 456 . 15 1 1 A 44 44 LEU CA C 44 57.573 57.541 0.032 1
1 457 . 15 1 1 A 44 44 LEU CB C 44 42.548 41.176 1.372 1
1 461 . 15 1 1 A 44 44 LEU N N 44 122.381 120.001 2.380 1
1 462 . 15 1 1 A 45 45 ARG H H 45 7.709 7.779 -0.070 1
1 463 . 15 1 1 A 45 45 ARG HA H 45 4.026 4.111 -0.085 1
1 470 . 15 1 1 A 45 45 ARG CA C 45 60.055 58.963 1.092 1
1 471 . 15 1 1 A 45 45 ARG CB C 45 29.943 29.498 0.445 1
1 474 . 15 1 1 A 45 45 ARG N N 45 122.487 121.524 0.963 1
1 475 . 15 1 1 A 46 46 ALA H H 46 8.144 8.070 0.074 1
1 476 . 15 1 1 A 46 46 ALA HA H 46 4.074 4.025 0.049 1
1 480 . 15 1 1 A 46 46 ALA CA C 46 54.865 55.494 -0.629 1
1 481 . 15 1 1 A 46 46 ALA CB C 46 17.777 18.452 -0.675 1
1 482 . 15 1 1 A 46 46 ALA N N 46 121.132 122.480 -1.348 1
1 483 . 15 1 1 A 47 47 GLU H H 47 7.902 8.101 -0.199 1
1 484 . 15 1 1 A 47 47 GLU HA H 47 3.995 4.144 -0.149 1
1 489 . 15 1 1 A 47 47 GLU CA C 47 59.524 59.150 0.374 1
1 490 . 15 1 1 A 47 47 GLU CB C 47 29.915 29.054 0.861 1
1 492 . 15 1 1 A 47 47 GLU N N 47 121.104 116.719 4.385 1
1 493 . 15 1 1 A 48 48 MET H H 48 7.984 8.233 -0.249 1
1 494 . 15 1 1 A 48 48 MET HA H 48 2.786 4.545 -1.759 1
1 499 . 15 1 1 A 48 48 MET CA C 48 59.662 59.237 0.425 1
1 500 . 15 1 1 A 48 48 MET CB C 48 33.701 33.458 0.243 1
1 502 . 15 1 1 A 48 48 MET N N 48 118.769 119.156 -0.387 1
1 503 . 15 1 1 A 49 49 GLN H H 49 8.209 7.919 0.290 1
1 504 . 15 1 1 A 49 49 GLN HA H 49 4.299 4.225 0.074 1
1 511 . 15 1 1 A 49 49 GLN CA C 49 58.669 57.674 0.995 1
1 512 . 15 1 1 A 49 49 GLN CB C 49 28.742 27.677 1.065 1
1 514 . 15 1 1 A 49 49 GLN N N 49 122.155 116.870 5.285 1
1 516 . 15 1 1 A 50 50 GLU H H 50 8.671 7.994 0.677 1
1 517 . 15 1 1 A 50 50 GLU HA H 50 3.904 4.151 -0.247 1
1 522 . 15 1 1 A 50 50 GLU CA C 50 59.156 58.804 0.352 1
1 523 . 15 1 1 A 50 50 GLU CB C 50 29.504 29.470 0.034 1
1 525 . 15 1 1 A 50 50 GLU N N 50 122.081 120.139 1.942 1
1 526 . 15 1 1 A 51 51 ARG H H 51 8.244 7.959 0.285 1
1 527 . 15 1 1 A 51 51 ARG HA H 51 3.993 4.533 -0.540 1
1 534 . 15 1 1 A 51 51 ARG CA C 51 58.503 57.277 1.226 1
1 535 . 15 1 1 A 51 51 ARG CB C 51 31.363 31.320 0.043 1
1 538 . 15 1 1 A 51 51 ARG N N 51 115.848 119.103 -3.255 1
1 539 . 15 1 1 A 52 52 SER H H 52 7.994 7.566 0.428 1
1 540 . 15 1 1 A 52 52 SER HA H 52 3.674 4.286 -0.612 1
1 543 . 15 1 1 A 52 52 SER CA C 52 58.897 59.009 -0.112 1
1 544 . 15 1 1 A 52 52 SER CB C 52 66.908 63.560 3.348 1
1 545 . 15 1 1 A 52 52 SER N N 52 109.721 111.308 -1.587 1
1 546 . 15 1 1 A 53 53 GLY H H 53 8.205 8.954 -0.749 1
1 547 . 15 1 1 A 53 53 GLY HA2 H 53 3.815 3.819 -0.004 1
1 548 . 15 1 1 A 53 53 GLY HA3 H 53 4.063 3.847 0.216 1
1 549 . 15 1 1 A 53 53 GLY CA C 53 46.182 45.611 0.571 1
1 550 . 15 1 1 A 53 53 GLY N N 53 112.716 109.056 3.660 1
1 551 . 15 1 1 A 54 54 ARG H H 54 8.323 7.788 0.535 1
1 552 . 15 1 1 A 54 54 ARG HA H 54 4.595 4.816 -0.221 1
1 559 . 15 1 1 A 54 54 ARG CA C 54 54.426 53.908 0.518 1
1 560 . 15 1 1 A 54 54 ARG CB C 54 35.418 34.029 1.389 1
1 563 . 15 1 1 A 54 54 ARG N N 54 119.629 119.910 -0.281 1
1 564 . 15 1 1 A 55 55 ASN H H 55 8.184 8.883 -0.699 1
1 565 . 15 1 1 A 55 55 ASN HA H 55 4.692 4.347 0.345 1
1 570 . 15 1 1 A 55 55 ASN CA C 55 51.458 56.564 -5.106 1
1 571 . 15 1 1 A 55 55 ASN N N 55 112.763 120.497 -7.734 1
1 573 . 15 1 1 A 56 56 THR H H 56 6.730 7.902 -1.172 1
1 574 . 15 1 1 A 56 56 THR HA H 56 4.309 4.867 -0.558 1
1 579 . 15 1 1 A 56 56 THR CA C 56 59.120 61.192 -2.072 1
1 580 . 15 1 1 A 56 56 THR CB C 56 70.754 71.374 -0.620 1
1 582 . 15 1 1 A 56 56 THR N N 56 107.946 107.726 0.220 1
1 583 . 15 1 1 A 57 57 PHE H H 57 8.568 9.043 -0.475 1
1 584 . 15 1 1 A 57 57 PHE HA H 57 4.641 5.152 -0.511 1
1 592 . 15 1 1 A 57 57 PHE CA C 57 54.923 55.357 -0.434 1
1 593 . 15 1 1 A 57 57 PHE CB C 57 41.272 40.672 0.600 1
1 594 . 15 1 1 A 57 57 PHE N N 57 117.566 118.550 -0.984 1
1 595 . 15 1 1 A 58 58 PRO HA H 58 5.604 4.724 0.880 1
1 602 . 15 1 1 A 58 58 PRO CA C 58 62.749 62.576 0.173 1
1 603 . 15 1 1 A 58 58 PRO CB C 58 36.563 31.642 4.921 1
1 606 . 15 1 1 A 59 59 GLN H H 59 7.926 8.325 -0.399 1
1 607 . 15 1 1 A 59 59 GLN HA H 59 4.813 4.698 0.115 1
1 614 . 15 1 1 A 59 59 GLN CA C 59 55.111 55.090 0.021 1
1 615 . 15 1 1 A 59 59 GLN CB C 59 31.737 29.754 1.983 1
1 617 . 15 1 1 A 59 59 GLN N N 59 112.301 121.483 -9.182 1
1 619 . 15 1 1 A 60 60 ILE H H 60 8.936 9.060 -0.124 1
1 620 . 15 1 1 A 60 60 ILE HA H 60 4.933 4.238 0.695 1
1 630 . 15 1 1 A 60 60 ILE CA C 60 61.288 60.008 1.280 1
1 631 . 15 1 1 A 60 60 ILE CB C 60 40.912 38.535 2.377 1
1 635 . 15 1 1 A 60 60 ILE N N 60 123.133 124.381 -1.248 1
1 636 . 15 1 1 A 61 61 PHE H H 61 9.629 8.916 0.713 1
1 637 . 15 1 1 A 61 61 PHE HA H 61 5.354 5.208 0.146 1
1 645 . 15 1 1 A 61 61 PHE CA C 61 56.630 56.987 -0.357 1
1 646 . 15 1 1 A 61 61 PHE CB C 61 41.883 40.281 1.602 1
1 647 . 15 1 1 A 61 61 PHE N N 61 128.347 126.728 1.619 1
1 648 . 15 1 1 A 62 62 ILE H H 62 9.070 8.903 0.167 1
1 649 . 15 1 1 A 62 62 ILE HA H 62 4.587 4.570 0.017 1
1 659 . 15 1 1 A 62 62 ILE CA C 62 60.903 60.319 0.584 1
1 660 . 15 1 1 A 62 62 ILE CB C 62 39.789 39.274 0.515 1
1 664 . 15 1 1 A 62 62 ILE N N 62 122.709 123.771 -1.062 1
1 665 . 15 1 1 A 63 63 GLY H H 63 9.303 8.614 0.689 1
1 666 . 15 1 1 A 63 63 GLY HA2 H 63 3.889 3.884 0.005 1
1 667 . 15 1 1 A 63 63 GLY HA3 H 63 4.081 3.884 0.197 1
1 668 . 15 1 1 A 63 63 GLY CA C 63 47.216 47.351 -0.135 1
1 669 . 15 1 1 A 63 63 GLY N N 63 116.351 118.203 -1.852 1
1 670 . 15 1 1 A 64 64 SER H H 64 9.242 8.058 1.184 1
1 671 . 15 1 1 A 64 64 SER HA H 64 4.525 4.538 -0.013 1
1 674 . 15 1 1 A 64 64 SER CA C 64 59.046 58.042 1.004 1
1 675 . 15 1 1 A 64 64 SER CB C 64 63.900 63.986 -0.086 1
1 676 . 15 1 1 A 64 64 SER N N 64 122.307 121.540 0.767 1
1 677 . 15 1 1 A 65 65 VAL H H 65 8.475 7.613 0.862 1
1 678 . 15 1 1 A 65 65 VAL HA H 65 4.013 4.782 -0.769 1
1 686 . 15 1 1 A 65 65 VAL CA C 65 62.737 60.445 2.292 1
1 687 . 15 1 1 A 65 65 VAL CB C 65 33.308 35.673 -2.365 1
1 690 . 15 1 1 A 65 65 VAL N N 65 124.659 121.623 3.036 1
1 691 . 15 1 1 A 66 66 HIS H H 66 8.968 8.999 -0.031 1
1 692 . 15 1 1 A 66 66 HIS HA H 66 4.337 5.295 -0.958 1
1 698 . 15 1 1 A 66 66 HIS CA C 66 54.409 54.625 -0.216 1
1 699 . 15 1 1 A 66 66 HIS CB C 66 31.099 30.503 0.596 1
1 700 . 15 1 1 A 66 66 HIS N N 66 128.172 126.420 1.752 1
1 701 . 15 1 1 A 67 67 VAL H H 67 8.148 8.872 -0.724 1
1 702 . 15 1 1 A 67 67 VAL HA H 67 3.329 3.674 -0.345 1
1 710 . 15 1 1 A 67 67 VAL CA C 67 64.129 65.526 -1.397 1
1 711 . 15 1 1 A 67 67 VAL CB C 67 32.554 32.201 0.353 1
1 714 . 15 1 1 A 67 67 VAL N N 67 130.509 127.481 3.028 1
1 715 . 15 1 1 A 68 68 GLY H H 68 6.365 7.442 -1.077 1
1 716 . 15 1 1 A 68 68 GLY HA2 H 68 3.003 4.053 -1.050 1
1 717 . 15 1 1 A 68 68 GLY HA3 H 68 4.513 4.151 0.362 1
1 718 . 15 1 1 A 68 68 GLY CA C 68 43.722 46.089 -2.367 1
1 719 . 15 1 1 A 68 68 GLY N N 68 102.729 105.847 -3.118 1
1 720 . 15 1 1 A 69 69 GLY H H 69 9.087 8.558 0.529 1
1 721 . 15 1 1 A 69 69 GLY HA2 H 69 3.752 4.200 -0.448 1
1 722 . 15 1 1 A 69 69 GLY HA3 H 69 4.633 4.467 0.166 1
1 723 . 15 1 1 A 69 69 GLY CA C 69 43.851 45.623 -1.772 1
1 724 . 15 1 1 A 69 69 GLY N N 69 110.274 111.711 -1.437 1
1 725 . 15 1 1 A 70 70 CYS H H 70 8.467 8.817 -0.350 1
1 726 . 15 1 1 A 70 70 CYS HA H 70 3.806 4.294 -0.488 1
1 729 . 15 1 1 A 70 70 CYS CA C 70 63.366 61.681 1.685 1
1 730 . 15 1 1 A 70 70 CYS CB C 70 27.642 27.142 0.500 1
1 731 . 15 1 1 A 70 70 CYS N N 70 118.787 118.158 0.629 1
1 732 . 15 1 1 A 71 71 ASP HA H 71 4.398 4.293 0.105 1
1 735 . 15 1 1 A 71 71 ASP CA C 71 57.405 57.316 0.089 1
1 736 . 15 1 1 A 71 71 ASP CB C 71 39.058 41.142 -2.084 1
1 737 . 15 1 1 A 72 72 ASP H H 72 7.266 8.388 -1.122 1
1 738 . 15 1 1 A 72 72 ASP HA H 72 4.285 4.502 -0.217 1
1 741 . 15 1 1 A 72 72 ASP CA C 72 57.322 57.504 -0.182 1
1 742 . 15 1 1 A 72 72 ASP CB C 72 41.553 40.434 1.119 1
1 743 . 15 1 1 A 72 72 ASP N N 72 119.650 119.576 0.074 1
1 744 . 15 1 1 A 73 73 LEU H H 73 7.755 8.349 -0.594 1
1 745 . 15 1 1 A 73 73 LEU HA H 73 3.736 4.060 -0.324 1
1 755 . 15 1 1 A 73 73 LEU CA C 73 58.272 58.060 0.212 1
1 756 . 15 1 1 A 73 73 LEU CB C 73 41.995 42.006 -0.011 1
1 760 . 15 1 1 A 73 73 LEU N N 73 121.526 121.513 0.013 1
1 761 . 15 1 1 A 74 74 TYR H H 74 8.244 8.502 -0.258 1
1 762 . 15 1 1 A 74 74 TYR HA H 74 3.697 4.288 -0.591 1
1 769 . 15 1 1 A 74 74 TYR CA C 74 62.802 60.681 2.121 1
1 770 . 15 1 1 A 74 74 TYR CB C 74 37.819 37.552 0.267 1
1 771 . 15 1 1 A 74 74 TYR N N 74 116.552 117.946 -1.394 1
1 772 . 15 1 1 A 75 75 ALA H H 75 8.169 8.287 -0.118 1
1 773 . 15 1 1 A 75 75 ALA HA H 75 4.286 4.177 0.109 1
1 777 . 15 1 1 A 75 75 ALA CA C 75 55.465 54.983 0.482 1
1 778 . 15 1 1 A 75 75 ALA CB C 75 17.722 18.548 -0.826 1
1 779 . 15 1 1 A 75 75 ALA N N 75 122.825 123.158 -0.333 1
1 780 . 15 1 1 A 76 76 LEU H H 76 7.353 8.355 -1.002 1
1 781 . 15 1 1 A 76 76 LEU HA H 76 4.003 4.053 -0.050 1
1 791 . 15 1 1 A 76 76 LEU CA C 76 57.687 57.329 0.358 1
1 792 . 15 1 1 A 76 76 LEU CB C 76 42.753 41.651 1.102 1
1 796 . 15 1 1 A 76 76 LEU N N 76 116.756 120.438 -3.682 1
1 797 . 15 1 1 A 77 77 GLU H H 77 7.420 8.279 -0.859 1
1 798 . 15 1 1 A 77 77 GLU HA H 77 4.575 3.964 0.611 1
1 803 . 15 1 1 A 77 77 GLU CA C 77 57.962 59.425 -1.463 1
1 804 . 15 1 1 A 77 77 GLU CB C 77 28.292 29.790 -1.498 1
1 806 . 15 1 1 A 77 77 GLU N N 77 121.356 120.164 1.192 1
1 807 . 15 1 1 A 78 78 ASP H H 78 8.637 8.034 0.603 1
1 808 . 15 1 1 A 78 78 ASP HA H 78 4.399 4.439 -0.040 1
1 811 . 15 1 1 A 78 78 ASP CA C 78 57.569 56.849 0.720 1
1 812 . 15 1 1 A 78 78 ASP CB C 78 40.715 41.290 -0.575 1
1 813 . 15 1 1 A 78 78 ASP N N 78 123.396 119.840 3.556 1
1 814 . 15 1 1 A 79 79 GLU H H 79 7.773 7.858 -0.085 1
1 815 . 15 1 1 A 79 79 GLU HA H 79 4.283 4.378 -0.095 1
1 820 . 15 1 1 A 79 79 GLU CA C 79 56.357 56.280 0.077 1
1 821 . 15 1 1 A 79 79 GLU CB C 79 30.855 30.743 0.112 1
1 823 . 15 1 1 A 79 79 GLU N N 79 115.336 116.179 -0.843 1
1 824 . 15 1 1 A 80 80 GLY H H 80 8.050 7.948 0.102 1
1 825 . 15 1 1 A 80 80 GLY HA2 H 80 4.031 3.947 0.084 1
1 826 . 15 1 1 A 80 80 GLY HA3 H 80 4.031 3.950 0.081 1
1 827 . 15 1 1 A 80 80 GLY CA C 80 46.314 46.123 0.191 1
1 828 . 15 1 1 A 80 80 GLY N N 80 108.957 108.490 0.467 1
1 829 . 15 1 1 A 81 81 LYS H H 81 8.188 7.820 0.368 1
1 830 . 15 1 1 A 81 81 LYS HA H 81 4.415 4.309 0.106 1
1 839 . 15 1 1 A 81 81 LYS CA C 81 56.716 57.328 -0.612 1
1 840 . 15 1 1 A 81 81 LYS CB C 81 35.935 32.722 3.213 1
1 844 . 15 1 1 A 81 81 LYS N N 81 116.879 118.850 -1.971 1
1 845 . 15 1 1 A 82 82 LEU H H 82 7.499 7.712 -0.213 1
1 846 . 15 1 1 A 82 82 LEU HA H 82 3.977 4.000 -0.023 1
1 856 . 15 1 1 A 82 82 LEU CA C 82 57.480 58.140 -0.660 1
1 857 . 15 1 1 A 82 82 LEU CB C 82 40.489 41.399 -0.910 1
1 861 . 15 1 1 A 82 82 LEU N N 82 122.734 122.128 0.606 1
1 862 . 15 1 1 A 83 83 ASP H H 83 8.625 8.274 0.351 1
1 863 . 15 1 1 A 83 83 ASP HA H 83 4.248 4.386 -0.138 1
1 866 . 15 1 1 A 83 83 ASP CA C 83 58.680 57.770 0.910 1
1 867 . 15 1 1 A 83 83 ASP CB C 83 40.149 41.950 -1.801 1
1 868 . 15 1 1 A 83 83 ASP N N 83 119.728 119.366 0.362 1
1 869 . 15 1 1 A 84 84 SER H H 84 8.426 7.874 0.552 1
1 870 . 15 1 1 A 84 84 SER HA H 84 4.219 4.310 -0.091 1
1 873 . 15 1 1 A 84 84 SER CA C 84 61.473 61.673 -0.200 1
1 874 . 15 1 1 A 84 84 SER CB C 84 62.589 63.210 -0.621 1
1 875 . 15 1 1 A 84 84 SER N N 84 113.454 116.060 -2.606 1
1 876 . 15 1 1 A 85 85 LEU H H 85 7.551 7.986 -0.435 1
1 877 . 15 1 1 A 85 85 LEU HA H 85 4.319 4.126 0.193 1
1 887 . 15 1 1 A 85 85 LEU CA C 85 58.355 57.712 0.643 1
1 888 . 15 1 1 A 85 85 LEU CB C 85 41.588 41.591 -0.003 1
1 892 . 15 1 1 A 85 85 LEU N N 85 126.500 122.125 4.375 1
1 893 . 15 1 1 A 86 86 LEU H H 86 8.382 7.905 0.477 1
1 894 . 15 1 1 A 86 86 LEU HA H 86 3.827 4.081 -0.254 1
1 904 . 15 1 1 A 86 86 LEU CA C 86 57.826 57.671 0.155 1
1 905 . 15 1 1 A 86 86 LEU CB C 86 41.840 41.397 0.443 1
1 909 . 15 1 1 A 86 86 LEU N N 86 117.962 116.555 1.407 1
1 910 . 15 1 1 A 87 87 LYS H H 87 7.522 7.935 -0.413 1
1 911 . 15 1 1 A 87 87 LYS HA H 87 4.331 4.089 0.242 1
1 920 . 15 1 1 A 87 87 LYS CA C 87 58.325 59.361 -1.036 1
1 921 . 15 1 1 A 87 87 LYS CB C 87 34.043 32.783 1.260 1
1 925 . 15 1 1 A 87 87 LYS N N 87 114.198 118.686 -4.488 1
1 926 . 15 1 1 A 88 88 THR H H 88 8.165 8.059 0.106 1
1 927 . 15 1 1 A 88 88 THR HA H 88 4.507 4.426 0.081 1
1 932 . 15 1 1 A 88 88 THR CA C 88 62.385 62.585 -0.200 1
1 933 . 15 1 1 A 88 88 THR CB C 88 72.525 70.517 2.008 1
1 935 . 15 1 1 A 88 88 THR N N 88 106.021 108.192 -2.171 1
1 936 . 15 1 1 A 89 89 GLY H H 89 9.139 9.010 0.129 1
1 937 . 15 1 1 A 89 89 GLY HA2 H 89 3.612 3.893 -0.281 1
1 938 . 15 1 1 A 89 89 GLY HA3 H 89 4.204 3.899 0.305 1
1 939 . 15 1 1 A 89 89 GLY CA C 89 46.770 45.718 1.052 1
1 940 . 15 1 1 A 89 89 GLY N N 89 112.926 111.980 0.946 1
1 941 . 15 1 1 A 90 90 LYS H H 90 7.933 7.183 0.750 1
1 942 . 15 1 1 A 90 90 LYS HA H 90 4.459 4.759 -0.300 1
1 951 . 15 1 1 A 90 90 LYS CA C 90 54.576 54.852 -0.276 1
1 952 . 15 1 1 A 90 90 LYS CB C 90 35.788 35.039 0.749 1
1 956 . 15 1 1 A 90 90 LYS N N 90 117.810 115.226 2.584 1
1 957 . 15 1 1 A 91 91 LEU H H 91 8.487 8.463 0.024 1
1 958 . 15 1 1 A 91 91 LEU HA H 91 4.423 5.068 -0.645 1
1 968 . 15 1 1 A 91 91 LEU CA C 91 54.491 52.969 1.522 1
1 969 . 15 1 1 A 91 91 LEU CB C 91 43.083 44.362 -1.279 1
1 973 . 15 1 1 A 91 91 LEU N N 91 123.364 118.733 4.631 1
1 1 . 16 1 1 A 2 2 PRO HA H 2 4.444 4.299 0.145 1
1 8 . 16 1 1 A 2 2 PRO CA C 2 63.468 63.590 -0.122 1
1 9 . 16 1 1 A 2 2 PRO CB C 2 32.153 31.714 0.439 1
1 12 . 16 1 1 A 3 3 GLY H H 3 8.672 8.940 -0.268 1
1 13 . 16 1 1 A 3 3 GLY HA2 H 3 4.759 4.041 0.718 1
1 14 . 16 1 1 A 3 3 GLY HA3 H 3 4.759 4.042 0.717 1
1 15 . 16 1 1 A 3 3 GLY CA C 3 45.323 45.297 0.026 1
1 16 . 16 1 1 A 3 3 GLY N N 3 110.465 112.856 -2.391 1
1 17 . 16 1 1 A 4 4 SER H H 4 8.201 8.513 -0.312 1
1 18 . 16 1 1 A 4 4 SER HA H 4 4.454 4.505 -0.051 1
1 21 . 16 1 1 A 4 4 SER CA C 4 58.370 59.419 -1.049 1
1 22 . 16 1 1 A 4 4 SER CB C 4 64.049 64.558 -0.509 1
1 23 . 16 1 1 A 4 4 SER N N 4 115.747 118.273 -2.526 1
1 24 . 16 1 1 A 5 5 MET H H 5 8.315 7.640 0.675 1
1 25 . 16 1 1 A 5 5 MET HA H 5 4.675 4.753 -0.078 1
1 30 . 16 1 1 A 5 5 MET CA C 5 55.466 54.388 1.078 1
1 31 . 16 1 1 A 5 5 MET CB C 5 34.462 35.219 -0.757 1
1 33 . 16 1 1 A 5 5 MET N N 5 121.679 117.767 3.912 1
1 34 . 16 1 1 A 6 6 VAL H H 6 8.169 8.769 -0.600 1
1 35 . 16 1 1 A 6 6 VAL HA H 6 4.141 4.855 -0.714 1
1 43 . 16 1 1 A 6 6 VAL CA C 6 61.395 58.794 2.601 1
1 44 . 16 1 1 A 6 6 VAL CB C 6 32.669 35.502 -2.833 1
1 47 . 16 1 1 A 6 6 VAL N N 6 118.330 118.089 0.241 1
1 48 . 16 1 1 A 7 7 ASP H H 7 8.335 8.670 -0.335 1
1 49 . 16 1 1 A 7 7 ASP HA H 7 4.526 4.736 -0.210 1
1 52 . 16 1 1 A 7 7 ASP CA C 7 55.023 54.785 0.238 1
1 53 . 16 1 1 A 7 7 ASP CB C 7 41.455 41.459 -0.004 1
1 54 . 16 1 1 A 7 7 ASP N N 7 122.032 123.485 -1.453 1
1 55 . 16 1 1 A 8 8 VAL H H 8 8.662 8.929 -0.267 1
1 56 . 16 1 1 A 8 8 VAL HA H 8 4.947 5.123 -0.176 1
1 64 . 16 1 1 A 8 8 VAL CA C 8 61.415 61.170 0.245 1
1 65 . 16 1 1 A 8 8 VAL CB C 8 33.703 34.519 -0.816 1
1 68 . 16 1 1 A 8 8 VAL N N 8 124.216 126.745 -2.529 1
1 69 . 16 1 1 A 9 9 ILE H H 9 9.311 9.148 0.163 1
1 70 . 16 1 1 A 9 9 ILE HA H 9 4.963 5.034 -0.071 1
1 80 . 16 1 1 A 9 9 ILE CA C 9 59.648 59.653 -0.005 1
1 81 . 16 1 1 A 9 9 ILE CB C 9 41.374 42.261 -0.887 1
1 85 . 16 1 1 A 9 9 ILE N N 9 129.869 126.440 3.429 1
1 86 . 16 1 1 A 10 10 ILE H H 10 8.720 9.602 -0.882 1
1 87 . 16 1 1 A 10 10 ILE HA H 10 5.442 5.336 0.106 1
1 97 . 16 1 1 A 10 10 ILE CA C 10 58.153 58.286 -0.133 1
1 98 . 16 1 1 A 10 10 ILE CB C 10 41.947 41.503 0.444 1
1 102 . 16 1 1 A 10 10 ILE N N 10 123.598 127.468 -3.870 1
1 103 . 16 1 1 A 11 11 TYR H H 11 9.340 8.846 0.494 1
1 104 . 16 1 1 A 11 11 TYR HA H 11 5.667 5.650 0.017 1
1 111 . 16 1 1 A 11 11 TYR CA C 11 57.300 56.360 0.940 1
1 112 . 16 1 1 A 11 11 TYR CB C 11 40.550 40.727 -0.177 1
1 113 . 16 1 1 A 11 11 TYR N N 11 128.888 127.609 1.279 1
1 114 . 16 1 1 A 12 12 THR H H 12 9.374 8.731 0.643 1
1 115 . 16 1 1 A 12 12 THR HA H 12 5.277 5.086 0.191 1
1 120 . 16 1 1 A 12 12 THR CA C 12 59.567 59.678 -0.111 1
1 121 . 16 1 1 A 12 12 THR CB C 12 72.183 72.532 -0.349 1
1 123 . 16 1 1 A 12 12 THR N N 12 112.083 113.666 -1.583 1
1 124 . 16 1 1 A 13 13 ARG H H 13 7.379 8.777 -1.398 1
1 125 . 16 1 1 A 13 13 ARG HA H 13 4.779 4.869 -0.090 1
1 132 . 16 1 1 A 13 13 ARG CA C 13 52.961 53.872 -0.911 1
1 133 . 16 1 1 A 13 13 ARG CB C 13 31.374 33.674 -2.300 1
1 136 . 16 1 1 A 13 13 ARG N N 13 113.131 119.733 -6.602 1
1 137 . 16 1 1 A 14 14 PRO HA H 14 4.276 4.291 -0.015 1
1 144 . 16 1 1 A 14 14 PRO CA C 14 63.498 63.855 -0.357 1
1 145 . 16 1 1 A 14 14 PRO CB C 14 32.015 31.353 0.662 1
1 148 . 16 1 1 A 15 15 GLY H H 15 8.672 8.866 -0.194 1
1 149 . 16 1 1 A 15 15 GLY HA2 H 15 3.946 3.897 0.049 1
1 150 . 16 1 1 A 15 15 GLY HA3 H 15 3.946 3.900 0.046 1
1 151 . 16 1 1 A 15 15 GLY N N 15 110.274 112.295 -2.021 1
1 152 . 16 1 1 A 16 16 CYS H H 16 6.985 7.469 -0.484 1
1 153 . 16 1 1 A 16 16 CYS HA H 16 4.769 4.739 0.030 1
1 156 . 16 1 1 A 16 16 CYS CA C 16 56.315 55.824 0.491 1
1 157 . 16 1 1 A 16 16 CYS CB C 16 31.724 28.943 2.781 1
1 158 . 16 1 1 A 16 16 CYS N N 16 124.357 119.485 4.872 1
1 159 . 16 1 1 A 17 17 PRO HA H 17 4.417 4.420 -0.003 1
1 166 . 16 1 1 A 17 17 PRO CA C 17 64.516 65.598 -1.082 1
1 167 . 16 1 1 A 17 17 PRO CB C 17 32.205 31.897 0.308 1
1 170 . 16 1 1 A 18 18 TYR H H 18 9.273 8.085 1.188 1
1 171 . 16 1 1 A 18 18 TYR HA H 18 4.375 4.224 0.151 1
1 178 . 16 1 1 A 18 18 TYR CA C 18 61.227 61.487 -0.260 1
1 179 . 16 1 1 A 18 18 TYR CB C 18 38.025 37.683 0.342 1
1 180 . 16 1 1 A 18 18 TYR N N 18 127.619 117.566 10.053 1
1 181 . 16 1 1 A 19 19 CYS H H 19 9.854 8.207 1.647 1
1 182 . 16 1 1 A 19 19 CYS HA H 19 3.870 4.090 -0.220 1
1 185 . 16 1 1 A 19 19 CYS CA C 19 64.810 63.219 1.591 1
1 186 . 16 1 1 A 19 19 CYS CB C 19 29.498 27.430 2.068 1
1 187 . 16 1 1 A 19 19 CYS N N 19 128.016 119.782 8.234 1
1 188 . 16 1 1 A 20 20 ALA H H 20 7.948 7.788 0.160 1
1 189 . 16 1 1 A 20 20 ALA HA H 20 3.995 3.962 0.033 1
1 193 . 16 1 1 A 20 20 ALA CA C 20 55.804 55.403 0.401 1
1 194 . 16 1 1 A 20 20 ALA CB C 20 18.201 18.413 -0.212 1
1 195 . 16 1 1 A 20 20 ALA N N 20 121.373 122.367 -0.994 1
1 196 . 16 1 1 A 21 21 ARG H H 21 8.064 7.792 0.272 1
1 197 . 16 1 1 A 21 21 ARG HA H 21 4.159 4.063 0.096 1
1 204 . 16 1 1 A 21 21 ARG CA C 21 59.500 59.678 -0.178 1
1 205 . 16 1 1 A 21 21 ARG CB C 21 30.535 30.155 0.380 1
1 208 . 16 1 1 A 21 21 ARG N N 21 119.886 117.741 2.145 1
1 209 . 16 1 1 A 22 22 ALA H H 22 8.342 7.675 0.667 1
1 210 . 16 1 1 A 22 22 ALA HA H 22 4.174 4.144 0.030 1
1 214 . 16 1 1 A 22 22 ALA CA C 22 55.658 55.423 0.235 1
1 215 . 16 1 1 A 22 22 ALA CB C 22 19.485 18.460 1.025 1
1 216 . 16 1 1 A 22 22 ALA N N 22 125.852 121.568 4.284 1
1 217 . 16 1 1 A 23 23 LYS H H 23 7.968 8.129 -0.161 1
1 218 . 16 1 1 A 23 23 LYS HA H 23 3.243 3.662 -0.419 1
1 227 . 16 1 1 A 23 23 LYS CA C 23 60.699 59.331 1.368 1
1 228 . 16 1 1 A 23 23 LYS CB C 23 31.640 32.359 -0.719 1
1 232 . 16 1 1 A 23 23 LYS N N 23 116.539 117.232 -0.693 1
1 233 . 16 1 1 A 24 24 ALA H H 24 8.027 8.182 -0.155 1
1 234 . 16 1 1 A 24 24 ALA HA H 24 4.152 4.178 -0.026 1
1 238 . 16 1 1 A 24 24 ALA CA C 24 55.067 55.202 -0.135 1
1 239 . 16 1 1 A 24 24 ALA CB C 24 18.039 17.977 0.062 1
1 240 . 16 1 1 A 24 24 ALA N N 24 120.099 122.132 -2.033 1
1 241 . 16 1 1 A 25 25 LEU H H 25 7.184 8.275 -1.091 1
1 242 . 16 1 1 A 25 25 LEU HA H 25 4.089 4.140 -0.051 1
1 252 . 16 1 1 A 25 25 LEU CA C 25 57.761 58.059 -0.298 1
1 253 . 16 1 1 A 25 25 LEU CB C 25 40.444 41.417 -0.973 1
1 257 . 16 1 1 A 25 25 LEU N N 25 119.676 119.403 0.273 1
1 258 . 16 1 1 A 26 26 LEU H H 26 7.477 8.174 -0.697 1
1 259 . 16 1 1 A 26 26 LEU HA H 26 3.701 4.130 -0.429 1
1 269 . 16 1 1 A 26 26 LEU CA C 26 58.523 58.035 0.488 1
1 270 . 16 1 1 A 26 26 LEU CB C 26 41.105 39.010 2.095 1
1 274 . 16 1 1 A 26 26 LEU N N 26 117.225 118.339 -1.114 1
1 275 . 16 1 1 A 27 27 ALA H H 27 8.657 8.209 0.448 1
1 276 . 16 1 1 A 27 27 ALA HA H 27 4.368 4.210 0.158 1
1 280 . 16 1 1 A 27 27 ALA CA C 27 55.066 55.081 -0.015 1
1 281 . 16 1 1 A 27 27 ALA CB C 27 18.137 18.393 -0.256 1
1 282 . 16 1 1 A 27 27 ALA N N 27 119.692 122.345 -2.653 1
1 283 . 16 1 1 A 28 28 ARG H H 28 8.048 8.118 -0.070 1
1 284 . 16 1 1 A 28 28 ARG HA H 28 4.110 4.048 0.062 1
1 291 . 16 1 1 A 28 28 ARG CA C 28 59.249 59.500 -0.251 1
1 292 . 16 1 1 A 28 28 ARG CB C 28 29.962 30.016 -0.054 1
1 295 . 16 1 1 A 28 28 ARG N N 28 121.433 119.113 2.320 1
1 296 . 16 1 1 A 29 29 LYS H H 29 7.660 7.912 -0.252 1
1 297 . 16 1 1 A 29 29 LYS HA H 29 4.192 4.242 -0.050 1
1 306 . 16 1 1 A 29 29 LYS CA C 29 54.864 55.856 -0.992 1
1 307 . 16 1 1 A 29 29 LYS CB C 29 31.476 32.117 -0.641 1
1 311 . 16 1 1 A 29 29 LYS N N 29 115.942 115.749 0.193 1
1 312 . 16 1 1 A 30 30 GLY H H 30 7.919 7.808 0.111 1
1 313 . 16 1 1 A 30 30 GLY HA2 H 30 3.734 3.975 -0.241 1
1 314 . 16 1 1 A 30 30 GLY HA3 H 30 4.013 3.979 0.034 1
1 315 . 16 1 1 A 30 30 GLY CA C 30 45.497 45.415 0.082 1
1 316 . 16 1 1 A 30 30 GLY N N 30 107.837 109.435 -1.598 1
1 317 . 16 1 1 A 31 31 ALA H H 31 7.830 7.818 0.012 1
1 318 . 16 1 1 A 31 31 ALA HA H 31 4.446 4.318 0.128 1
1 322 . 16 1 1 A 31 31 ALA CA C 31 51.562 52.342 -0.780 1
1 323 . 16 1 1 A 31 31 ALA CB C 31 19.964 19.086 0.878 1
1 324 . 16 1 1 A 31 31 ALA N N 31 122.333 123.963 -1.630 1
1 325 . 16 1 1 A 32 32 GLU H H 32 8.322 8.716 -0.394 1
1 326 . 16 1 1 A 32 32 GLU HA H 32 4.173 4.306 -0.133 1
1 331 . 16 1 1 A 32 32 GLU CA C 32 55.621 56.386 -0.765 1
1 332 . 16 1 1 A 32 32 GLU CB C 32 29.734 30.117 -0.383 1
1 334 . 16 1 1 A 32 32 GLU N N 32 124.383 123.597 0.786 1
1 335 . 16 1 1 A 33 33 PHE H H 33 7.623 8.447 -0.824 1
1 336 . 16 1 1 A 33 33 PHE HA H 33 5.151 5.501 -0.350 1
1 344 . 16 1 1 A 33 33 PHE CA C 33 55.106 55.547 -0.441 1
1 345 . 16 1 1 A 33 33 PHE CB C 33 41.937 42.260 -0.323 1
1 346 . 16 1 1 A 33 33 PHE N N 33 116.953 119.716 -2.763 1
1 347 . 16 1 1 A 34 34 ASN H H 34 8.938 9.262 -0.324 1
1 348 . 16 1 1 A 34 34 ASN HA H 34 4.897 5.027 -0.130 1
1 353 . 16 1 1 A 34 34 ASN CA C 34 52.081 53.700 -1.619 1
1 354 . 16 1 1 A 34 34 ASN CB C 34 39.784 38.842 0.942 1
1 355 . 16 1 1 A 34 34 ASN N N 34 120.410 118.734 1.676 1
1 357 . 16 1 1 A 35 35 GLU H H 35 8.764 8.863 -0.099 1
1 358 . 16 1 1 A 35 35 GLU HA H 35 5.135 4.890 0.245 1
1 363 . 16 1 1 A 35 35 GLU CA C 35 54.519 55.945 -1.426 1
1 364 . 16 1 1 A 35 35 GLU CB C 35 31.306 30.668 0.638 1
1 366 . 16 1 1 A 35 35 GLU N N 35 126.769 125.263 1.506 1
1 367 . 16 1 1 A 36 36 ILE H H 36 8.975 8.623 0.352 1
1 368 . 16 1 1 A 36 36 ILE HA H 36 4.108 4.681 -0.573 1
1 378 . 16 1 1 A 36 36 ILE CA C 36 60.156 59.096 1.060 1
1 379 . 16 1 1 A 36 36 ILE CB C 36 40.382 41.681 -1.299 1
1 383 . 16 1 1 A 36 36 ILE N N 36 130.393 127.813 2.580 1
1 384 . 16 1 1 A 37 37 ASP H H 37 8.494 8.296 0.198 1
1 385 . 16 1 1 A 37 37 ASP HA H 37 4.965 4.994 -0.029 1
1 388 . 16 1 1 A 37 37 ASP CA C 37 52.537 52.661 -0.124 1
1 389 . 16 1 1 A 37 37 ASP CB C 37 39.350 42.082 -2.732 1
1 390 . 16 1 1 A 37 37 ASP N N 37 125.910 124.199 1.711 1
1 391 . 16 1 1 A 38 38 ALA H H 38 8.764 8.100 0.664 1
1 392 . 16 1 1 A 38 38 ALA HA H 38 4.621 4.418 0.203 1
1 396 . 16 1 1 A 38 38 ALA CA C 38 51.729 52.974 -1.245 1
1 397 . 16 1 1 A 38 38 ALA CB C 38 20.588 20.907 -0.319 1
1 398 . 16 1 1 A 38 38 ALA N N 38 130.164 122.443 7.721 1
1 399 . 16 1 1 A 39 39 SER H H 39 8.668 8.057 0.611 1
1 400 . 16 1 1 A 39 39 SER HA H 39 4.469 4.132 0.337 1
1 403 . 16 1 1 A 39 39 SER CA C 39 59.342 61.074 -1.732 1
1 404 . 16 1 1 A 39 39 SER CB C 39 64.938 63.169 1.769 1
1 405 . 16 1 1 A 39 39 SER N N 39 111.397 113.941 -2.544 1
1 406 . 16 1 1 A 40 40 ALA H H 40 7.466 7.839 -0.373 1
1 407 . 16 1 1 A 40 40 ALA HA H 40 4.136 4.107 0.029 1
1 411 . 16 1 1 A 40 40 ALA CA C 40 55.000 54.710 0.290 1
1 412 . 16 1 1 A 40 40 ALA CB C 40 20.463 18.887 1.576 1
1 413 . 16 1 1 A 40 40 ALA N N 40 124.335 121.956 2.379 1
1 414 . 16 1 1 A 41 41 THR H H 41 7.098 7.388 -0.290 1
1 415 . 16 1 1 A 41 41 THR HA H 41 4.978 4.901 0.077 1
1 420 . 16 1 1 A 41 41 THR CA C 41 57.841 58.834 -0.993 1
1 421 . 16 1 1 A 41 41 THR CB C 41 70.742 71.391 -0.649 1
1 423 . 16 1 1 A 41 41 THR N N 41 105.166 107.054 -1.888 1
1 424 . 16 1 1 A 42 42 PRO HA H 42 4.299 4.357 -0.058 1
1 431 . 16 1 1 A 42 42 PRO CA C 42 64.586 65.237 -0.651 1
1 432 . 16 1 1 A 42 42 PRO CB C 42 31.963 32.001 -0.038 1
1 435 . 16 1 1 A 43 43 GLU H H 43 8.997 8.030 0.967 1
1 436 . 16 1 1 A 43 43 GLU HA H 43 4.052 4.125 -0.073 1
1 441 . 16 1 1 A 43 43 GLU CA C 43 60.694 59.630 1.064 1
1 442 . 16 1 1 A 43 43 GLU CB C 43 28.709 29.448 -0.739 1
1 444 . 16 1 1 A 43 43 GLU N N 43 118.804 118.231 0.573 1
1 445 . 16 1 1 A 44 44 LEU H H 44 7.882 8.533 -0.651 1
1 446 . 16 1 1 A 44 44 LEU HA H 44 4.285 4.041 0.244 1
1 456 . 16 1 1 A 44 44 LEU CA C 44 57.573 58.158 -0.585 1
1 457 . 16 1 1 A 44 44 LEU CB C 44 42.548 41.685 0.863 1
1 461 . 16 1 1 A 44 44 LEU N N 44 122.381 119.884 2.497 1
1 462 . 16 1 1 A 45 45 ARG H H 45 7.709 7.634 0.075 1
1 463 . 16 1 1 A 45 45 ARG HA H 45 4.026 4.145 -0.119 1
1 470 . 16 1 1 A 45 45 ARG CA C 45 60.055 58.953 1.102 1
1 471 . 16 1 1 A 45 45 ARG CB C 45 29.943 29.738 0.205 1
1 474 . 16 1 1 A 45 45 ARG N N 45 122.487 120.779 1.708 1
1 475 . 16 1 1 A 46 46 ALA H H 46 8.144 8.030 0.114 1
1 476 . 16 1 1 A 46 46 ALA HA H 46 4.074 4.142 -0.068 1
1 480 . 16 1 1 A 46 46 ALA CA C 46 54.865 55.366 -0.501 1
1 481 . 16 1 1 A 46 46 ALA CB C 46 17.777 18.356 -0.579 1
1 482 . 16 1 1 A 46 46 ALA N N 46 121.132 122.543 -1.411 1
1 483 . 16 1 1 A 47 47 GLU H H 47 7.902 8.732 -0.830 1
1 484 . 16 1 1 A 47 47 GLU HA H 47 3.995 4.064 -0.069 1
1 489 . 16 1 1 A 47 47 GLU CA C 47 59.524 59.258 0.266 1
1 490 . 16 1 1 A 47 47 GLU CB C 47 29.915 28.852 1.063 1
1 492 . 16 1 1 A 47 47 GLU N N 47 121.104 116.519 4.585 1
1 493 . 16 1 1 A 48 48 MET H H 48 7.984 8.225 -0.241 1
1 494 . 16 1 1 A 48 48 MET HA H 48 2.786 4.228 -1.442 1
1 499 . 16 1 1 A 48 48 MET CA C 48 59.662 58.385 1.277 1
1 500 . 16 1 1 A 48 48 MET CB C 48 33.701 33.438 0.263 1
1 502 . 16 1 1 A 48 48 MET N N 48 118.769 119.639 -0.870 1
1 503 . 16 1 1 A 49 49 GLN H H 49 8.209 8.486 -0.277 1
1 504 . 16 1 1 A 49 49 GLN HA H 49 4.299 4.192 0.107 1
1 511 . 16 1 1 A 49 49 GLN CA C 49 58.669 58.624 0.045 1
1 512 . 16 1 1 A 49 49 GLN CB C 49 28.742 27.801 0.941 1
1 514 . 16 1 1 A 49 49 GLN N N 49 122.155 117.381 4.774 1
1 516 . 16 1 1 A 50 50 GLU H H 50 8.671 8.088 0.583 1
1 517 . 16 1 1 A 50 50 GLU HA H 50 3.904 4.137 -0.233 1
1 522 . 16 1 1 A 50 50 GLU CA C 50 59.156 59.141 0.015 1
1 523 . 16 1 1 A 50 50 GLU CB C 50 29.504 28.997 0.507 1
1 525 . 16 1 1 A 50 50 GLU N N 50 122.081 120.271 1.810 1
1 526 . 16 1 1 A 51 51 ARG H H 51 8.244 7.904 0.340 1
1 527 . 16 1 1 A 51 51 ARG HA H 51 3.993 4.181 -0.188 1
1 534 . 16 1 1 A 51 51 ARG CA C 51 58.503 58.862 -0.359 1
1 535 . 16 1 1 A 51 51 ARG CB C 51 31.363 30.366 0.997 1
1 538 . 16 1 1 A 51 51 ARG N N 51 115.848 119.961 -4.113 1
1 539 . 16 1 1 A 52 52 SER H H 52 7.994 7.968 0.026 1
1 540 . 16 1 1 A 52 52 SER HA H 52 3.674 4.381 -0.707 1
1 543 . 16 1 1 A 52 52 SER CA C 52 58.897 58.857 0.040 1
1 544 . 16 1 1 A 52 52 SER CB C 52 66.908 64.236 2.672 1
1 545 . 16 1 1 A 52 52 SER N N 52 109.721 111.636 -1.915 1
1 546 . 16 1 1 A 53 53 GLY H H 53 8.205 9.064 -0.859 1
1 547 . 16 1 1 A 53 53 GLY HA2 H 53 3.815 3.873 -0.058 1
1 548 . 16 1 1 A 53 53 GLY HA3 H 53 4.063 3.896 0.167 1
1 549 . 16 1 1 A 53 53 GLY CA C 53 46.182 46.217 -0.035 1
1 550 . 16 1 1 A 53 53 GLY N N 53 112.716 111.177 1.539 1
1 551 . 16 1 1 A 54 54 ARG H H 54 8.323 7.402 0.921 1
1 552 . 16 1 1 A 54 54 ARG HA H 54 4.595 4.762 -0.167 1
1 559 . 16 1 1 A 54 54 ARG CA C 54 54.426 53.819 0.607 1
1 560 . 16 1 1 A 54 54 ARG CB C 54 35.418 34.350 1.068 1
1 563 . 16 1 1 A 54 54 ARG N N 54 119.629 119.618 0.011 1
1 564 . 16 1 1 A 55 55 ASN H H 55 8.184 8.894 -0.710 1
1 565 . 16 1 1 A 55 55 ASN HA H 55 4.692 4.511 0.181 1
1 570 . 16 1 1 A 55 55 ASN CA C 55 51.458 56.215 -4.757 1
1 571 . 16 1 1 A 55 55 ASN N N 55 112.763 119.182 -6.419 1
1 573 . 16 1 1 A 56 56 THR H H 56 6.730 7.827 -1.097 1
1 574 . 16 1 1 A 56 56 THR HA H 56 4.309 4.737 -0.428 1
1 579 . 16 1 1 A 56 56 THR CA C 56 59.120 61.085 -1.965 1
1 580 . 16 1 1 A 56 56 THR CB C 56 70.754 71.239 -0.485 1
1 582 . 16 1 1 A 56 56 THR N N 56 107.946 110.854 -2.908 1
1 583 . 16 1 1 A 57 57 PHE H H 57 8.568 9.052 -0.484 1
1 584 . 16 1 1 A 57 57 PHE HA H 57 4.641 5.088 -0.447 1
1 592 . 16 1 1 A 57 57 PHE CA C 57 54.923 55.325 -0.402 1
1 593 . 16 1 1 A 57 57 PHE CB C 57 41.272 40.585 0.687 1
1 594 . 16 1 1 A 57 57 PHE N N 57 117.566 118.452 -0.886 1
1 595 . 16 1 1 A 58 58 PRO HA H 58 5.604 4.534 1.070 1
1 602 . 16 1 1 A 58 58 PRO CA C 58 62.749 62.817 -0.068 1
1 603 . 16 1 1 A 58 58 PRO CB C 58 36.563 32.078 4.485 1
1 606 . 16 1 1 A 59 59 GLN H H 59 7.926 8.302 -0.376 1
1 607 . 16 1 1 A 59 59 GLN HA H 59 4.813 4.785 0.028 1
1 614 . 16 1 1 A 59 59 GLN CA C 59 55.111 54.572 0.539 1
1 615 . 16 1 1 A 59 59 GLN CB C 59 31.737 30.547 1.190 1
1 617 . 16 1 1 A 59 59 GLN N N 59 112.301 121.008 -8.707 1
1 619 . 16 1 1 A 60 60 ILE H H 60 8.936 8.763 0.173 1
1 620 . 16 1 1 A 60 60 ILE HA H 60 4.933 4.366 0.567 1
1 630 . 16 1 1 A 60 60 ILE CA C 60 61.288 60.089 1.199 1
1 631 . 16 1 1 A 60 60 ILE CB C 60 40.912 39.102 1.810 1
1 635 . 16 1 1 A 60 60 ILE N N 60 123.133 123.943 -0.810 1
1 636 . 16 1 1 A 61 61 PHE H H 61 9.629 8.830 0.799 1
1 637 . 16 1 1 A 61 61 PHE HA H 61 5.354 5.217 0.137 1
1 645 . 16 1 1 A 61 61 PHE CA C 61 56.630 56.969 -0.339 1
1 646 . 16 1 1 A 61 61 PHE CB C 61 41.883 40.466 1.417 1
1 647 . 16 1 1 A 61 61 PHE N N 61 128.347 126.648 1.699 1
1 648 . 16 1 1 A 62 62 ILE H H 62 9.070 8.894 0.176 1
1 649 . 16 1 1 A 62 62 ILE HA H 62 4.587 4.623 -0.036 1
1 659 . 16 1 1 A 62 62 ILE CA C 62 60.903 60.186 0.717 1
1 660 . 16 1 1 A 62 62 ILE CB C 62 39.789 40.017 -0.228 1
1 664 . 16 1 1 A 62 62 ILE N N 62 122.709 123.916 -1.207 1
1 665 . 16 1 1 A 63 63 GLY H H 63 9.303 8.618 0.685 1
1 666 . 16 1 1 A 63 63 GLY HA2 H 63 3.889 3.903 -0.014 1
1 667 . 16 1 1 A 63 63 GLY HA3 H 63 4.081 3.904 0.177 1
1 668 . 16 1 1 A 63 63 GLY CA C 63 47.216 47.359 -0.143 1
1 669 . 16 1 1 A 63 63 GLY N N 63 116.351 117.739 -1.388 1
1 670 . 16 1 1 A 64 64 SER H H 64 9.242 8.187 1.055 1
1 671 . 16 1 1 A 64 64 SER HA H 64 4.525 4.577 -0.052 1
1 674 . 16 1 1 A 64 64 SER CA C 64 59.046 58.223 0.823 1
1 675 . 16 1 1 A 64 64 SER CB C 64 63.900 64.179 -0.279 1
1 676 . 16 1 1 A 64 64 SER N N 64 122.307 121.552 0.755 1
1 677 . 16 1 1 A 65 65 VAL H H 65 8.475 7.626 0.849 1
1 678 . 16 1 1 A 65 65 VAL HA H 65 4.013 4.778 -0.765 1
1 686 . 16 1 1 A 65 65 VAL CA C 65 62.737 60.467 2.270 1
1 687 . 16 1 1 A 65 65 VAL CB C 65 33.308 35.673 -2.365 1
1 690 . 16 1 1 A 65 65 VAL N N 65 124.659 121.695 2.964 1
1 691 . 16 1 1 A 66 66 HIS H H 66 8.968 9.012 -0.044 1
1 692 . 16 1 1 A 66 66 HIS HA H 66 4.337 5.270 -0.933 1
1 698 . 16 1 1 A 66 66 HIS CA C 66 54.409 54.675 -0.266 1
1 699 . 16 1 1 A 66 66 HIS CB C 66 31.099 30.698 0.401 1
1 700 . 16 1 1 A 66 66 HIS N N 66 128.172 126.651 1.521 1
1 701 . 16 1 1 A 67 67 VAL H H 67 8.148 8.917 -0.769 1
1 702 . 16 1 1 A 67 67 VAL HA H 67 3.329 3.686 -0.357 1
1 710 . 16 1 1 A 67 67 VAL CA C 67 64.129 65.601 -1.472 1
1 711 . 16 1 1 A 67 67 VAL CB C 67 32.554 32.248 0.306 1
1 714 . 16 1 1 A 67 67 VAL N N 67 130.509 127.643 2.866 1
1 715 . 16 1 1 A 68 68 GLY H H 68 6.365 7.420 -1.055 1
1 716 . 16 1 1 A 68 68 GLY HA2 H 68 3.003 4.012 -1.009 1
1 717 . 16 1 1 A 68 68 GLY HA3 H 68 4.513 4.167 0.346 1
1 718 . 16 1 1 A 68 68 GLY CA C 68 43.722 45.759 -2.037 1
1 719 . 16 1 1 A 68 68 GLY N N 68 102.729 105.848 -3.119 1
1 720 . 16 1 1 A 69 69 GLY H H 69 9.087 8.511 0.576 1
1 721 . 16 1 1 A 69 69 GLY HA2 H 69 3.752 4.159 -0.407 1
1 722 . 16 1 1 A 69 69 GLY HA3 H 69 4.633 4.460 0.173 1
1 723 . 16 1 1 A 69 69 GLY CA C 69 43.851 45.228 -1.377 1
1 724 . 16 1 1 A 69 69 GLY N N 69 110.274 112.093 -1.819 1
1 725 . 16 1 1 A 70 70 CYS H H 70 8.467 8.918 -0.451 1
1 726 . 16 1 1 A 70 70 CYS HA H 70 3.806 4.125 -0.319 1
1 729 . 16 1 1 A 70 70 CYS CA C 70 63.366 62.636 0.730 1
1 730 . 16 1 1 A 70 70 CYS CB C 70 27.642 26.771 0.871 1
1 731 . 16 1 1 A 70 70 CYS N N 70 118.787 120.771 -1.984 1
1 732 . 16 1 1 A 71 71 ASP HA H 71 4.398 4.258 0.140 1
1 735 . 16 1 1 A 71 71 ASP CA C 71 57.405 57.598 -0.193 1
1 736 . 16 1 1 A 71 71 ASP CB C 71 39.058 39.935 -0.877 1
1 737 . 16 1 1 A 72 72 ASP H H 72 7.266 8.034 -0.768 1
1 738 . 16 1 1 A 72 72 ASP HA H 72 4.285 4.403 -0.118 1
1 741 . 16 1 1 A 72 72 ASP CA C 72 57.322 57.421 -0.099 1
1 742 . 16 1 1 A 72 72 ASP CB C 72 41.553 40.858 0.695 1
1 743 . 16 1 1 A 72 72 ASP N N 72 119.650 119.417 0.233 1
1 744 . 16 1 1 A 73 73 LEU H H 73 7.755 8.262 -0.507 1
1 745 . 16 1 1 A 73 73 LEU HA H 73 3.736 4.080 -0.344 1
1 755 . 16 1 1 A 73 73 LEU CA C 73 58.272 57.799 0.473 1
1 756 . 16 1 1 A 73 73 LEU CB C 73 41.995 41.832 0.163 1
1 760 . 16 1 1 A 73 73 LEU N N 73 121.526 121.340 0.186 1
1 761 . 16 1 1 A 74 74 TYR H H 74 8.244 8.411 -0.167 1
1 762 . 16 1 1 A 74 74 TYR HA H 74 3.697 4.082 -0.385 1
1 769 . 16 1 1 A 74 74 TYR CA C 74 62.802 61.433 1.369 1
1 770 . 16 1 1 A 74 74 TYR CB C 74 37.819 38.000 -0.181 1
1 771 . 16 1 1 A 74 74 TYR N N 74 116.552 117.978 -1.426 1
1 772 . 16 1 1 A 75 75 ALA H H 75 8.169 8.296 -0.127 1
1 773 . 16 1 1 A 75 75 ALA HA H 75 4.286 4.174 0.112 1
1 777 . 16 1 1 A 75 75 ALA CA C 75 55.465 54.949 0.516 1
1 778 . 16 1 1 A 75 75 ALA CB C 75 17.722 18.469 -0.747 1
1 779 . 16 1 1 A 75 75 ALA N N 75 122.825 123.291 -0.466 1
1 780 . 16 1 1 A 76 76 LEU H H 76 7.353 8.466 -1.113 1
1 781 . 16 1 1 A 76 76 LEU HA H 76 4.003 4.061 -0.058 1
1 791 . 16 1 1 A 76 76 LEU CA C 76 57.687 57.844 -0.157 1
1 792 . 16 1 1 A 76 76 LEU CB C 76 42.753 41.613 1.140 1
1 796 . 16 1 1 A 76 76 LEU N N 76 116.756 120.609 -3.853 1
1 797 . 16 1 1 A 77 77 GLU H H 77 7.420 8.302 -0.882 1
1 798 . 16 1 1 A 77 77 GLU HA H 77 4.575 4.046 0.529 1
1 803 . 16 1 1 A 77 77 GLU CA C 77 57.962 58.893 -0.931 1
1 804 . 16 1 1 A 77 77 GLU CB C 77 28.292 28.634 -0.342 1
1 806 . 16 1 1 A 77 77 GLU N N 77 121.356 117.713 3.643 1
1 807 . 16 1 1 A 78 78 ASP H H 78 8.637 7.978 0.659 1
1 808 . 16 1 1 A 78 78 ASP HA H 78 4.399 4.360 0.039 1
1 811 . 16 1 1 A 78 78 ASP CA C 78 57.569 57.748 -0.179 1
1 812 . 16 1 1 A 78 78 ASP CB C 78 40.715 42.056 -1.341 1
1 813 . 16 1 1 A 78 78 ASP N N 78 123.396 120.721 2.675 1
1 814 . 16 1 1 A 79 79 GLU H H 79 7.773 7.926 -0.153 1
1 815 . 16 1 1 A 79 79 GLU HA H 79 4.283 4.372 -0.089 1
1 820 . 16 1 1 A 79 79 GLU CA C 79 56.357 56.293 0.064 1
1 821 . 16 1 1 A 79 79 GLU CB C 79 30.855 30.725 0.130 1
1 823 . 16 1 1 A 79 79 GLU N N 79 115.336 115.750 -0.414 1
1 824 . 16 1 1 A 80 80 GLY H H 80 8.050 7.972 0.078 1
1 825 . 16 1 1 A 80 80 GLY HA2 H 80 4.031 3.972 0.059 1
1 826 . 16 1 1 A 80 80 GLY HA3 H 80 4.031 3.974 0.057 1
1 827 . 16 1 1 A 80 80 GLY CA C 80 46.314 46.157 0.157 1
1 828 . 16 1 1 A 80 80 GLY N N 80 108.957 108.288 0.669 1
1 829 . 16 1 1 A 81 81 LYS H H 81 8.188 7.802 0.386 1
1 830 . 16 1 1 A 81 81 LYS HA H 81 4.415 4.219 0.196 1
1 839 . 16 1 1 A 81 81 LYS CA C 81 56.716 58.697 -1.981 1
1 840 . 16 1 1 A 81 81 LYS CB C 81 35.935 32.050 3.885 1
1 844 . 16 1 1 A 81 81 LYS N N 81 116.879 119.249 -2.370 1
1 845 . 16 1 1 A 82 82 LEU H H 82 7.499 8.227 -0.728 1
1 846 . 16 1 1 A 82 82 LEU HA H 82 3.977 3.985 -0.008 1
1 856 . 16 1 1 A 82 82 LEU CA C 82 57.480 57.916 -0.436 1
1 857 . 16 1 1 A 82 82 LEU CB C 82 40.489 41.460 -0.971 1
1 861 . 16 1 1 A 82 82 LEU N N 82 122.734 121.367 1.367 1
1 862 . 16 1 1 A 83 83 ASP H H 83 8.625 8.229 0.396 1
1 863 . 16 1 1 A 83 83 ASP HA H 83 4.248 4.321 -0.073 1
1 866 . 16 1 1 A 83 83 ASP CA C 83 58.680 57.921 0.759 1
1 867 . 16 1 1 A 83 83 ASP CB C 83 40.149 41.890 -1.741 1
1 868 . 16 1 1 A 83 83 ASP N N 83 119.728 120.009 -0.281 1
1 869 . 16 1 1 A 84 84 SER H H 84 8.426 7.850 0.576 1
1 870 . 16 1 1 A 84 84 SER HA H 84 4.219 4.291 -0.072 1
1 873 . 16 1 1 A 84 84 SER CA C 84 61.473 61.890 -0.417 1
1 874 . 16 1 1 A 84 84 SER CB C 84 62.589 63.060 -0.471 1
1 875 . 16 1 1 A 84 84 SER N N 84 113.454 116.143 -2.689 1
1 876 . 16 1 1 A 85 85 LEU H H 85 7.551 8.404 -0.853 1
1 877 . 16 1 1 A 85 85 LEU HA H 85 4.319 4.088 0.231 1
1 887 . 16 1 1 A 85 85 LEU CA C 85 58.355 57.619 0.736 1
1 888 . 16 1 1 A 85 85 LEU CB C 85 41.588 41.534 0.054 1
1 892 . 16 1 1 A 85 85 LEU N N 85 126.500 121.599 4.901 1
1 893 . 16 1 1 A 86 86 LEU H H 86 8.382 8.140 0.242 1
1 894 . 16 1 1 A 86 86 LEU HA H 86 3.827 4.105 -0.278 1
1 904 . 16 1 1 A 86 86 LEU CA C 86 57.826 57.678 0.148 1
1 905 . 16 1 1 A 86 86 LEU CB C 86 41.840 41.510 0.330 1
1 909 . 16 1 1 A 86 86 LEU N N 86 117.962 116.334 1.628 1
1 910 . 16 1 1 A 87 87 LYS H H 87 7.522 7.875 -0.353 1
1 911 . 16 1 1 A 87 87 LYS HA H 87 4.331 4.154 0.177 1
1 920 . 16 1 1 A 87 87 LYS CA C 87 58.325 59.053 -0.728 1
1 921 . 16 1 1 A 87 87 LYS CB C 87 34.043 32.905 1.138 1
1 925 . 16 1 1 A 87 87 LYS N N 87 114.198 118.626 -4.428 1
1 926 . 16 1 1 A 88 88 THR H H 88 8.165 8.293 -0.128 1
1 927 . 16 1 1 A 88 88 THR HA H 88 4.507 4.429 0.078 1
1 932 . 16 1 1 A 88 88 THR CA C 88 62.385 62.603 -0.218 1
1 933 . 16 1 1 A 88 88 THR CB C 88 72.525 70.523 2.002 1
1 935 . 16 1 1 A 88 88 THR N N 88 106.021 108.066 -2.045 1
1 936 . 16 1 1 A 89 89 GLY H H 89 9.139 8.691 0.448 1
1 937 . 16 1 1 A 89 89 GLY HA2 H 89 3.612 3.933 -0.321 1
1 938 . 16 1 1 A 89 89 GLY HA3 H 89 4.204 3.939 0.265 1
1 939 . 16 1 1 A 89 89 GLY CA C 89 46.770 45.652 1.118 1
1 940 . 16 1 1 A 89 89 GLY N N 89 112.926 112.033 0.893 1
1 941 . 16 1 1 A 90 90 LYS H H 90 7.933 7.678 0.255 1
1 942 . 16 1 1 A 90 90 LYS HA H 90 4.459 4.964 -0.505 1
1 951 . 16 1 1 A 90 90 LYS CA C 90 54.576 54.582 -0.006 1
1 952 . 16 1 1 A 90 90 LYS CB C 90 35.788 36.464 -0.676 1
1 956 . 16 1 1 A 90 90 LYS N N 90 117.810 119.872 -2.062 1
1 957 . 16 1 1 A 91 91 LEU H H 91 8.487 8.775 -0.288 1
1 958 . 16 1 1 A 91 91 LEU HA H 91 4.423 5.120 -0.697 1
1 968 . 16 1 1 A 91 91 LEU CA C 91 54.491 53.494 0.997 1
1 969 . 16 1 1 A 91 91 LEU CB C 91 43.083 45.052 -1.969 1
1 973 . 16 1 1 A 91 91 LEU N N 91 123.364 123.390 -0.026 1
1 1 . 17 1 1 A 2 2 PRO HA H 2 4.444 4.666 -0.222 1
1 8 . 17 1 1 A 2 2 PRO CA C 2 63.468 62.680 0.788 1
1 9 . 17 1 1 A 2 2 PRO CB C 2 32.153 29.842 2.311 1
1 12 . 17 1 1 A 3 3 GLY H H 3 8.672 7.695 0.977 1
1 13 . 17 1 1 A 3 3 GLY HA2 H 3 4.759 4.200 0.559 1
1 14 . 17 1 1 A 3 3 GLY HA3 H 3 4.759 4.202 0.557 1
1 15 . 17 1 1 A 3 3 GLY CA C 3 45.323 45.577 -0.254 1
1 16 . 17 1 1 A 3 3 GLY N N 3 110.465 109.973 0.492 1
1 17 . 17 1 1 A 4 4 SER H H 4 8.201 8.583 -0.382 1
1 18 . 17 1 1 A 4 4 SER HA H 4 4.454 4.650 -0.196 1
1 21 . 17 1 1 A 4 4 SER CA C 4 58.370 58.406 -0.036 1
1 22 . 17 1 1 A 4 4 SER CB C 4 64.049 64.480 -0.431 1
1 23 . 17 1 1 A 4 4 SER N N 4 115.747 113.789 1.958 1
1 24 . 17 1 1 A 5 5 MET H H 5 8.315 7.782 0.533 1
1 25 . 17 1 1 A 5 5 MET HA H 5 4.675 5.179 -0.504 1
1 30 . 17 1 1 A 5 5 MET CA C 5 55.466 54.468 0.998 1
1 31 . 17 1 1 A 5 5 MET CB C 5 34.462 38.743 -4.281 1
1 33 . 17 1 1 A 5 5 MET N N 5 121.679 119.448 2.231 1
1 34 . 17 1 1 A 6 6 VAL H H 6 8.169 8.770 -0.601 1
1 35 . 17 1 1 A 6 6 VAL HA H 6 4.141 4.797 -0.656 1
1 43 . 17 1 1 A 6 6 VAL CA C 6 61.395 58.978 2.417 1
1 44 . 17 1 1 A 6 6 VAL CB C 6 32.669 35.564 -2.895 1
1 47 . 17 1 1 A 6 6 VAL N N 6 118.330 114.891 3.439 1
1 48 . 17 1 1 A 7 7 ASP H H 7 8.335 8.697 -0.362 1
1 49 . 17 1 1 A 7 7 ASP HA H 7 4.526 4.625 -0.099 1
1 52 . 17 1 1 A 7 7 ASP CA C 7 55.023 54.886 0.137 1
1 53 . 17 1 1 A 7 7 ASP CB C 7 41.455 40.457 0.998 1
1 54 . 17 1 1 A 7 7 ASP N N 7 122.032 122.675 -0.643 1
1 55 . 17 1 1 A 8 8 VAL H H 8 8.662 8.968 -0.306 1
1 56 . 17 1 1 A 8 8 VAL HA H 8 4.947 4.950 -0.003 1
1 64 . 17 1 1 A 8 8 VAL CA C 8 61.415 61.424 -0.009 1
1 65 . 17 1 1 A 8 8 VAL CB C 8 33.703 33.833 -0.130 1
1 68 . 17 1 1 A 8 8 VAL N N 8 124.216 125.526 -1.310 1
1 69 . 17 1 1 A 9 9 ILE H H 9 9.311 9.181 0.130 1
1 70 . 17 1 1 A 9 9 ILE HA H 9 4.963 5.073 -0.110 1
1 80 . 17 1 1 A 9 9 ILE CA C 9 59.648 59.569 0.079 1
1 81 . 17 1 1 A 9 9 ILE CB C 9 41.374 42.172 -0.798 1
1 85 . 17 1 1 A 9 9 ILE N N 9 129.869 126.465 3.404 1
1 86 . 17 1 1 A 10 10 ILE H H 10 8.720 9.343 -0.623 1
1 87 . 17 1 1 A 10 10 ILE HA H 10 5.442 5.373 0.069 1
1 97 . 17 1 1 A 10 10 ILE CA C 10 58.153 58.673 -0.520 1
1 98 . 17 1 1 A 10 10 ILE CB C 10 41.947 41.896 0.051 1
1 102 . 17 1 1 A 10 10 ILE N N 10 123.598 127.050 -3.452 1
1 103 . 17 1 1 A 11 11 TYR H H 11 9.340 8.785 0.555 1
1 104 . 17 1 1 A 11 11 TYR HA H 11 5.667 5.695 -0.028 1
1 111 . 17 1 1 A 11 11 TYR CA C 11 57.300 56.271 1.029 1
1 112 . 17 1 1 A 11 11 TYR CB C 11 40.550 40.803 -0.253 1
1 113 . 17 1 1 A 11 11 TYR N N 11 128.888 127.581 1.307 1
1 114 . 17 1 1 A 12 12 THR H H 12 9.374 8.962 0.412 1
1 115 . 17 1 1 A 12 12 THR HA H 12 5.277 5.132 0.145 1
1 120 . 17 1 1 A 12 12 THR CA C 12 59.567 59.620 -0.053 1
1 121 . 17 1 1 A 12 12 THR CB C 12 72.183 72.452 -0.269 1
1 123 . 17 1 1 A 12 12 THR N N 12 112.083 113.671 -1.588 1
1 124 . 17 1 1 A 13 13 ARG H H 13 7.379 8.758 -1.379 1
1 125 . 17 1 1 A 13 13 ARG HA H 13 4.779 4.926 -0.147 1
1 132 . 17 1 1 A 13 13 ARG CA C 13 52.961 53.689 -0.728 1
1 133 . 17 1 1 A 13 13 ARG CB C 13 31.374 33.679 -2.305 1
1 136 . 17 1 1 A 13 13 ARG N N 13 113.131 120.000 -6.869 1
1 137 . 17 1 1 A 14 14 PRO HA H 14 4.276 4.270 0.006 1
1 144 . 17 1 1 A 14 14 PRO CA C 14 63.498 63.703 -0.205 1
1 145 . 17 1 1 A 14 14 PRO CB C 14 32.015 31.260 0.755 1
1 148 . 17 1 1 A 15 15 GLY H H 15 8.672 8.816 -0.144 1
1 149 . 17 1 1 A 15 15 GLY HA2 H 15 3.946 3.915 0.031 1
1 150 . 17 1 1 A 15 15 GLY HA3 H 15 3.946 3.922 0.024 1
1 151 . 17 1 1 A 15 15 GLY N N 15 110.274 112.335 -2.061 1
1 152 . 17 1 1 A 16 16 CYS H H 16 6.985 7.743 -0.758 1
1 153 . 17 1 1 A 16 16 CYS HA H 16 4.769 4.681 0.088 1
1 156 . 17 1 1 A 16 16 CYS CA C 16 56.315 55.571 0.744 1
1 157 . 17 1 1 A 16 16 CYS CB C 16 31.724 29.275 2.449 1
1 158 . 17 1 1 A 16 16 CYS N N 16 124.357 119.155 5.202 1
1 159 . 17 1 1 A 17 17 PRO HA H 17 4.417 4.275 0.142 1
1 166 . 17 1 1 A 17 17 PRO CA C 17 64.516 65.374 -0.858 1
1 167 . 17 1 1 A 17 17 PRO CB C 17 32.205 31.618 0.587 1
1 170 . 17 1 1 A 18 18 TYR H H 18 9.273 7.342 1.931 1
1 171 . 17 1 1 A 18 18 TYR HA H 18 4.375 4.183 0.192 1
1 178 . 17 1 1 A 18 18 TYR CA C 18 61.227 61.410 -0.183 1
1 179 . 17 1 1 A 18 18 TYR CB C 18 38.025 37.562 0.463 1
1 180 . 17 1 1 A 18 18 TYR N N 18 127.619 117.591 10.028 1
1 181 . 17 1 1 A 19 19 CYS H H 19 9.854 8.265 1.589 1
1 182 . 17 1 1 A 19 19 CYS HA H 19 3.870 4.077 -0.207 1
1 185 . 17 1 1 A 19 19 CYS CA C 19 64.810 62.944 1.866 1
1 186 . 17 1 1 A 19 19 CYS CB C 19 29.498 27.249 2.249 1
1 187 . 17 1 1 A 19 19 CYS N N 19 128.016 118.782 9.234 1
1 188 . 17 1 1 A 20 20 ALA H H 20 7.948 7.992 -0.044 1
1 189 . 17 1 1 A 20 20 ALA HA H 20 3.995 3.950 0.045 1
1 193 . 17 1 1 A 20 20 ALA CA C 20 55.804 55.368 0.436 1
1 194 . 17 1 1 A 20 20 ALA CB C 20 18.201 18.529 -0.328 1
1 195 . 17 1 1 A 20 20 ALA N N 20 121.373 122.226 -0.853 1
1 196 . 17 1 1 A 21 21 ARG H H 21 8.064 7.828 0.236 1
1 197 . 17 1 1 A 21 21 ARG HA H 21 4.159 4.075 0.084 1
1 204 . 17 1 1 A 21 21 ARG CA C 21 59.500 59.565 -0.065 1
1 205 . 17 1 1 A 21 21 ARG CB C 21 30.535 30.255 0.280 1
1 208 . 17 1 1 A 21 21 ARG N N 21 119.886 117.838 2.048 1
1 209 . 17 1 1 A 22 22 ALA H H 22 8.342 7.608 0.734 1
1 210 . 17 1 1 A 22 22 ALA HA H 22 4.174 4.162 0.012 1
1 214 . 17 1 1 A 22 22 ALA CA C 22 55.658 55.365 0.293 1
1 215 . 17 1 1 A 22 22 ALA CB C 22 19.485 18.335 1.150 1
1 216 . 17 1 1 A 22 22 ALA N N 22 125.852 121.424 4.428 1
1 217 . 17 1 1 A 23 23 LYS H H 23 7.968 8.097 -0.129 1
1 218 . 17 1 1 A 23 23 LYS HA H 23 3.243 3.731 -0.488 1
1 227 . 17 1 1 A 23 23 LYS CA C 23 60.699 59.190 1.509 1
1 228 . 17 1 1 A 23 23 LYS CB C 23 31.640 32.362 -0.722 1
1 232 . 17 1 1 A 23 23 LYS N N 23 116.539 117.136 -0.597 1
1 233 . 17 1 1 A 24 24 ALA H H 24 8.027 8.379 -0.352 1
1 234 . 17 1 1 A 24 24 ALA HA H 24 4.152 4.167 -0.015 1
1 238 . 17 1 1 A 24 24 ALA CA C 24 55.067 55.120 -0.053 1
1 239 . 17 1 1 A 24 24 ALA CB C 24 18.039 18.106 -0.067 1
1 240 . 17 1 1 A 24 24 ALA N N 24 120.099 122.425 -2.326 1
1 241 . 17 1 1 A 25 25 LEU H H 25 7.184 8.367 -1.183 1
1 242 . 17 1 1 A 25 25 LEU HA H 25 4.089 4.123 -0.034 1
1 252 . 17 1 1 A 25 25 LEU CA C 25 57.761 58.118 -0.357 1
1 253 . 17 1 1 A 25 25 LEU CB C 25 40.444 42.252 -1.808 1
1 257 . 17 1 1 A 25 25 LEU N N 25 119.676 119.090 0.586 1
1 258 . 17 1 1 A 26 26 LEU H H 26 7.477 8.336 -0.859 1
1 259 . 17 1 1 A 26 26 LEU HA H 26 3.701 4.044 -0.343 1
1 269 . 17 1 1 A 26 26 LEU CA C 26 58.523 57.959 0.564 1
1 270 . 17 1 1 A 26 26 LEU CB C 26 41.105 41.033 0.072 1
1 274 . 17 1 1 A 26 26 LEU N N 26 117.225 118.701 -1.476 1
1 275 . 17 1 1 A 27 27 ALA H H 27 8.657 8.306 0.351 1
1 276 . 17 1 1 A 27 27 ALA HA H 27 4.368 4.210 0.158 1
1 280 . 17 1 1 A 27 27 ALA CA C 27 55.066 55.091 -0.025 1
1 281 . 17 1 1 A 27 27 ALA CB C 27 18.137 18.405 -0.268 1
1 282 . 17 1 1 A 27 27 ALA N N 27 119.692 122.251 -2.559 1
1 283 . 17 1 1 A 28 28 ARG H H 28 8.048 8.064 -0.016 1
1 284 . 17 1 1 A 28 28 ARG HA H 28 4.110 4.059 0.051 1
1 291 . 17 1 1 A 28 28 ARG CA C 28 59.249 59.578 -0.329 1
1 292 . 17 1 1 A 28 28 ARG CB C 28 29.962 30.037 -0.075 1
1 295 . 17 1 1 A 28 28 ARG N N 28 121.433 119.127 2.306 1
1 296 . 17 1 1 A 29 29 LYS H H 29 7.660 7.925 -0.265 1
1 297 . 17 1 1 A 29 29 LYS HA H 29 4.192 4.249 -0.057 1
1 306 . 17 1 1 A 29 29 LYS CA C 29 54.864 55.862 -0.998 1
1 307 . 17 1 1 A 29 29 LYS CB C 29 31.476 32.123 -0.647 1
1 311 . 17 1 1 A 29 29 LYS N N 29 115.942 115.869 0.073 1
1 312 . 17 1 1 A 30 30 GLY H H 30 7.919 7.745 0.174 1
1 313 . 17 1 1 A 30 30 GLY HA2 H 30 3.734 3.983 -0.249 1
1 314 . 17 1 1 A 30 30 GLY HA3 H 30 4.013 3.987 0.026 1
1 315 . 17 1 1 A 30 30 GLY CA C 30 45.497 45.290 0.207 1
1 316 . 17 1 1 A 30 30 GLY N N 30 107.837 109.317 -1.480 1
1 317 . 17 1 1 A 31 31 ALA H H 31 7.830 7.814 0.016 1
1 318 . 17 1 1 A 31 31 ALA HA H 31 4.446 4.291 0.155 1
1 322 . 17 1 1 A 31 31 ALA CA C 31 51.562 52.414 -0.852 1
1 323 . 17 1 1 A 31 31 ALA CB C 31 19.964 19.148 0.816 1
1 324 . 17 1 1 A 31 31 ALA N N 31 122.333 123.870 -1.537 1
1 325 . 17 1 1 A 32 32 GLU H H 32 8.322 8.430 -0.108 1
1 326 . 17 1 1 A 32 32 GLU HA H 32 4.173 4.173 0.000 1
1 331 . 17 1 1 A 32 32 GLU CA C 32 55.621 56.420 -0.799 1
1 332 . 17 1 1 A 32 32 GLU CB C 32 29.734 29.814 -0.080 1
1 334 . 17 1 1 A 32 32 GLU N N 32 124.383 123.400 0.983 1
1 335 . 17 1 1 A 33 33 PHE H H 33 7.623 8.506 -0.883 1
1 336 . 17 1 1 A 33 33 PHE HA H 33 5.151 5.250 -0.099 1
1 344 . 17 1 1 A 33 33 PHE CA C 33 55.106 55.756 -0.650 1
1 345 . 17 1 1 A 33 33 PHE CB C 33 41.937 42.127 -0.190 1
1 346 . 17 1 1 A 33 33 PHE N N 33 116.953 117.362 -0.409 1
1 347 . 17 1 1 A 34 34 ASN H H 34 8.938 8.985 -0.047 1
1 348 . 17 1 1 A 34 34 ASN HA H 34 4.897 5.040 -0.143 1
1 353 . 17 1 1 A 34 34 ASN CA C 34 52.081 53.682 -1.601 1
1 354 . 17 1 1 A 34 34 ASN CB C 34 39.784 38.878 0.906 1
1 355 . 17 1 1 A 34 34 ASN N N 34 120.410 118.681 1.729 1
1 357 . 17 1 1 A 35 35 GLU H H 35 8.764 8.896 -0.132 1
1 358 . 17 1 1 A 35 35 GLU HA H 35 5.135 4.864 0.271 1
1 363 . 17 1 1 A 35 35 GLU CA C 35 54.519 55.863 -1.344 1
1 364 . 17 1 1 A 35 35 GLU CB C 35 31.306 30.530 0.776 1
1 366 . 17 1 1 A 35 35 GLU N N 35 126.769 125.565 1.204 1
1 367 . 17 1 1 A 36 36 ILE H H 36 8.975 8.690 0.285 1
1 368 . 17 1 1 A 36 36 ILE HA H 36 4.108 4.686 -0.578 1
1 378 . 17 1 1 A 36 36 ILE CA C 36 60.156 59.221 0.935 1
1 379 . 17 1 1 A 36 36 ILE CB C 36 40.382 41.293 -0.911 1
1 383 . 17 1 1 A 36 36 ILE N N 36 130.393 127.785 2.608 1
1 384 . 17 1 1 A 37 37 ASP H H 37 8.494 8.743 -0.249 1
1 385 . 17 1 1 A 37 37 ASP HA H 37 4.965 5.011 -0.046 1
1 388 . 17 1 1 A 37 37 ASP CA C 37 52.537 53.649 -1.112 1
1 389 . 17 1 1 A 37 37 ASP CB C 37 39.350 42.030 -2.680 1
1 390 . 17 1 1 A 37 37 ASP N N 37 125.910 125.470 0.440 1
1 391 . 17 1 1 A 38 38 ALA H H 38 8.764 8.208 0.556 1
1 392 . 17 1 1 A 38 38 ALA HA H 38 4.621 4.459 0.162 1
1 396 . 17 1 1 A 38 38 ALA CA C 38 51.729 53.175 -1.446 1
1 397 . 17 1 1 A 38 38 ALA CB C 38 20.588 20.945 -0.357 1
1 398 . 17 1 1 A 38 38 ALA N N 38 130.164 123.529 6.635 1
1 399 . 17 1 1 A 39 39 SER H H 39 8.668 8.037 0.631 1
1 400 . 17 1 1 A 39 39 SER HA H 39 4.469 4.220 0.249 1
1 403 . 17 1 1 A 39 39 SER CA C 39 59.342 60.997 -1.655 1
1 404 . 17 1 1 A 39 39 SER CB C 39 64.938 63.085 1.853 1
1 405 . 17 1 1 A 39 39 SER N N 39 111.397 114.076 -2.679 1
1 406 . 17 1 1 A 40 40 ALA H H 40 7.466 7.714 -0.248 1
1 407 . 17 1 1 A 40 40 ALA HA H 40 4.136 4.109 0.027 1
1 411 . 17 1 1 A 40 40 ALA CA C 40 55.000 54.703 0.297 1
1 412 . 17 1 1 A 40 40 ALA CB C 40 20.463 18.949 1.514 1
1 413 . 17 1 1 A 40 40 ALA N N 40 124.335 121.850 2.485 1
1 414 . 17 1 1 A 41 41 THR H H 41 7.098 7.250 -0.152 1
1 415 . 17 1 1 A 41 41 THR HA H 41 4.978 4.914 0.064 1
1 420 . 17 1 1 A 41 41 THR CA C 41 57.841 58.928 -1.087 1
1 421 . 17 1 1 A 41 41 THR CB C 41 70.742 71.481 -0.739 1
1 423 . 17 1 1 A 41 41 THR N N 41 105.166 107.024 -1.858 1
1 424 . 17 1 1 A 42 42 PRO HA H 42 4.299 4.343 -0.044 1
1 431 . 17 1 1 A 42 42 PRO CA C 42 64.586 65.314 -0.728 1
1 432 . 17 1 1 A 42 42 PRO CB C 42 31.963 31.989 -0.026 1
1 435 . 17 1 1 A 43 43 GLU H H 43 8.997 8.415 0.582 1
1 436 . 17 1 1 A 43 43 GLU HA H 43 4.052 4.120 -0.068 1
1 441 . 17 1 1 A 43 43 GLU CA C 43 60.694 59.442 1.252 1
1 442 . 17 1 1 A 43 43 GLU CB C 43 28.709 29.307 -0.598 1
1 444 . 17 1 1 A 43 43 GLU N N 43 118.804 118.093 0.711 1
1 445 . 17 1 1 A 44 44 LEU H H 44 7.882 8.544 -0.662 1
1 446 . 17 1 1 A 44 44 LEU HA H 44 4.285 4.048 0.237 1
1 456 . 17 1 1 A 44 44 LEU CA C 44 57.573 58.051 -0.478 1
1 457 . 17 1 1 A 44 44 LEU CB C 44 42.548 41.392 1.156 1
1 461 . 17 1 1 A 44 44 LEU N N 44 122.381 120.280 2.101 1
1 462 . 17 1 1 A 45 45 ARG H H 45 7.709 7.734 -0.025 1
1 463 . 17 1 1 A 45 45 ARG HA H 45 4.026 4.141 -0.115 1
1 470 . 17 1 1 A 45 45 ARG CA C 45 60.055 58.957 1.098 1
1 471 . 17 1 1 A 45 45 ARG CB C 45 29.943 29.747 0.196 1
1 474 . 17 1 1 A 45 45 ARG N N 45 122.487 121.346 1.141 1
1 475 . 17 1 1 A 46 46 ALA H H 46 8.144 8.027 0.117 1
1 476 . 17 1 1 A 46 46 ALA HA H 46 4.074 4.127 -0.053 1
1 480 . 17 1 1 A 46 46 ALA CA C 46 54.865 55.387 -0.522 1
1 481 . 17 1 1 A 46 46 ALA CB C 46 17.777 18.377 -0.600 1
1 482 . 17 1 1 A 46 46 ALA N N 46 121.132 122.538 -1.406 1
1 483 . 17 1 1 A 47 47 GLU H H 47 7.902 8.407 -0.505 1
1 484 . 17 1 1 A 47 47 GLU HA H 47 3.995 4.078 -0.083 1
1 489 . 17 1 1 A 47 47 GLU CA C 47 59.524 59.284 0.240 1
1 490 . 17 1 1 A 47 47 GLU CB C 47 29.915 29.480 0.435 1
1 492 . 17 1 1 A 47 47 GLU N N 47 121.104 116.677 4.427 1
1 493 . 17 1 1 A 48 48 MET H H 48 7.984 8.346 -0.362 1
1 494 . 17 1 1 A 48 48 MET HA H 48 2.786 4.186 -1.400 1
1 499 . 17 1 1 A 48 48 MET CA C 48 59.662 58.457 1.205 1
1 500 . 17 1 1 A 48 48 MET CB C 48 33.701 33.499 0.202 1
1 502 . 17 1 1 A 48 48 MET N N 48 118.769 119.153 -0.384 1
1 503 . 17 1 1 A 49 49 GLN H H 49 8.209 8.494 -0.285 1
1 504 . 17 1 1 A 49 49 GLN HA H 49 4.299 4.209 0.090 1
1 511 . 17 1 1 A 49 49 GLN CA C 49 58.669 58.194 0.475 1
1 512 . 17 1 1 A 49 49 GLN CB C 49 28.742 27.398 1.344 1
1 514 . 17 1 1 A 49 49 GLN N N 49 122.155 117.374 4.781 1
1 516 . 17 1 1 A 50 50 GLU H H 50 8.671 8.064 0.607 1
1 517 . 17 1 1 A 50 50 GLU HA H 50 3.904 4.151 -0.247 1
1 522 . 17 1 1 A 50 50 GLU CA C 50 59.156 59.018 0.138 1
1 523 . 17 1 1 A 50 50 GLU CB C 50 29.504 29.080 0.424 1
1 525 . 17 1 1 A 50 50 GLU N N 50 122.081 120.339 1.742 1
1 526 . 17 1 1 A 51 51 ARG H H 51 8.244 7.928 0.316 1
1 527 . 17 1 1 A 51 51 ARG HA H 51 3.993 4.208 -0.215 1
1 534 . 17 1 1 A 51 51 ARG CA C 51 58.503 58.596 -0.093 1
1 535 . 17 1 1 A 51 51 ARG CB C 51 31.363 30.549 0.814 1
1 538 . 17 1 1 A 51 51 ARG N N 51 115.848 119.832 -3.984 1
1 539 . 17 1 1 A 52 52 SER H H 52 7.994 7.672 0.322 1
1 540 . 17 1 1 A 52 52 SER HA H 52 3.674 4.253 -0.579 1
1 543 . 17 1 1 A 52 52 SER CA C 52 58.897 58.944 -0.047 1
1 544 . 17 1 1 A 52 52 SER CB C 52 66.908 64.080 2.828 1
1 545 . 17 1 1 A 52 52 SER N N 52 109.721 111.985 -2.264 1
1 546 . 17 1 1 A 53 53 GLY H H 53 8.205 9.195 -0.990 1
1 547 . 17 1 1 A 53 53 GLY HA2 H 53 3.815 3.891 -0.076 1
1 548 . 17 1 1 A 53 53 GLY HA3 H 53 4.063 3.917 0.146 1
1 549 . 17 1 1 A 53 53 GLY CA C 53 46.182 46.186 -0.004 1
1 550 . 17 1 1 A 53 53 GLY N N 53 112.716 111.236 1.480 1
1 551 . 17 1 1 A 54 54 ARG H H 54 8.323 7.302 1.021 1
1 552 . 17 1 1 A 54 54 ARG HA H 54 4.595 4.780 -0.185 1
1 559 . 17 1 1 A 54 54 ARG CA C 54 54.426 53.843 0.583 1
1 560 . 17 1 1 A 54 54 ARG CB C 54 35.418 34.245 1.173 1
1 563 . 17 1 1 A 54 54 ARG N N 54 119.629 119.814 -0.185 1
1 564 . 17 1 1 A 55 55 ASN H H 55 8.184 8.927 -0.743 1
1 565 . 17 1 1 A 55 55 ASN HA H 55 4.692 4.545 0.147 1
1 570 . 17 1 1 A 55 55 ASN CA C 55 51.458 56.244 -4.786 1
1 571 . 17 1 1 A 55 55 ASN N N 55 112.763 119.208 -6.445 1
1 573 . 17 1 1 A 56 56 THR H H 56 6.730 7.655 -0.925 1
1 574 . 17 1 1 A 56 56 THR HA H 56 4.309 4.978 -0.669 1
1 579 . 17 1 1 A 56 56 THR CA C 56 59.120 61.417 -2.297 1
1 580 . 17 1 1 A 56 56 THR CB C 56 70.754 72.299 -1.545 1
1 582 . 17 1 1 A 56 56 THR N N 56 107.946 111.038 -3.092 1
1 583 . 17 1 1 A 57 57 PHE H H 57 8.568 9.079 -0.511 1
1 584 . 17 1 1 A 57 57 PHE HA H 57 4.641 5.137 -0.496 1
1 592 . 17 1 1 A 57 57 PHE CA C 57 54.923 55.353 -0.430 1
1 593 . 17 1 1 A 57 57 PHE CB C 57 41.272 40.675 0.597 1
1 594 . 17 1 1 A 57 57 PHE N N 57 117.566 121.705 -4.139 1
1 595 . 17 1 1 A 58 58 PRO HA H 58 5.604 4.616 0.988 1
1 602 . 17 1 1 A 58 58 PRO CA C 58 62.749 62.734 0.015 1
1 603 . 17 1 1 A 58 58 PRO CB C 58 36.563 31.971 4.592 1
1 606 . 17 1 1 A 59 59 GLN H H 59 7.926 8.407 -0.481 1
1 607 . 17 1 1 A 59 59 GLN HA H 59 4.813 4.800 0.013 1
1 614 . 17 1 1 A 59 59 GLN CA C 59 55.111 54.619 0.492 1
1 615 . 17 1 1 A 59 59 GLN CB C 59 31.737 30.387 1.350 1
1 617 . 17 1 1 A 59 59 GLN N N 59 112.301 121.407 -9.106 1
1 619 . 17 1 1 A 60 60 ILE H H 60 8.936 8.627 0.309 1
1 620 . 17 1 1 A 60 60 ILE HA H 60 4.933 4.407 0.526 1
1 630 . 17 1 1 A 60 60 ILE CA C 60 61.288 60.134 1.154 1
1 631 . 17 1 1 A 60 60 ILE CB C 60 40.912 39.300 1.612 1
1 635 . 17 1 1 A 60 60 ILE N N 60 123.133 123.707 -0.574 1
1 636 . 17 1 1 A 61 61 PHE H H 61 9.629 8.866 0.763 1
1 637 . 17 1 1 A 61 61 PHE HA H 61 5.354 5.269 0.085 1
1 645 . 17 1 1 A 61 61 PHE CA C 61 56.630 56.968 -0.338 1
1 646 . 17 1 1 A 61 61 PHE CB C 61 41.883 40.435 1.448 1
1 647 . 17 1 1 A 61 61 PHE N N 61 128.347 126.451 1.896 1
1 648 . 17 1 1 A 62 62 ILE H H 62 9.070 8.868 0.202 1
1 649 . 17 1 1 A 62 62 ILE HA H 62 4.587 4.676 -0.089 1
1 659 . 17 1 1 A 62 62 ILE CA C 62 60.903 60.152 0.751 1
1 660 . 17 1 1 A 62 62 ILE CB C 62 39.789 39.571 0.218 1
1 664 . 17 1 1 A 62 62 ILE N N 62 122.709 123.734 -1.025 1
1 665 . 17 1 1 A 63 63 GLY H H 63 9.303 9.029 0.274 1
1 666 . 17 1 1 A 63 63 GLY HA2 H 63 3.889 3.889 0.000 1
1 667 . 17 1 1 A 63 63 GLY HA3 H 63 4.081 3.890 0.191 1
1 668 . 17 1 1 A 63 63 GLY CA C 63 47.216 47.361 -0.145 1
1 669 . 17 1 1 A 63 63 GLY N N 63 116.351 117.782 -1.431 1
1 670 . 17 1 1 A 64 64 SER H H 64 9.242 8.243 0.999 1
1 671 . 17 1 1 A 64 64 SER HA H 64 4.525 4.590 -0.065 1
1 674 . 17 1 1 A 64 64 SER CA C 64 59.046 58.136 0.910 1
1 675 . 17 1 1 A 64 64 SER CB C 64 63.900 64.174 -0.274 1
1 676 . 17 1 1 A 64 64 SER N N 64 122.307 121.563 0.744 1
1 677 . 17 1 1 A 65 65 VAL H H 65 8.475 7.638 0.837 1
1 678 . 17 1 1 A 65 65 VAL HA H 65 4.013 4.790 -0.777 1
1 686 . 17 1 1 A 65 65 VAL CA C 65 62.737 60.472 2.265 1
1 687 . 17 1 1 A 65 65 VAL CB C 65 33.308 35.672 -2.364 1
1 690 . 17 1 1 A 65 65 VAL N N 65 124.659 121.549 3.110 1
1 691 . 17 1 1 A 66 66 HIS H H 66 8.968 9.025 -0.057 1
1 692 . 17 1 1 A 66 66 HIS HA H 66 4.337 5.254 -0.917 1
1 698 . 17 1 1 A 66 66 HIS CA C 66 54.409 54.489 -0.080 1
1 699 . 17 1 1 A 66 66 HIS CB C 66 31.099 30.739 0.360 1
1 700 . 17 1 1 A 66 66 HIS N N 66 128.172 126.332 1.840 1
1 701 . 17 1 1 A 67 67 VAL H H 67 8.148 8.905 -0.757 1
1 702 . 17 1 1 A 67 67 VAL HA H 67 3.329 3.686 -0.357 1
1 710 . 17 1 1 A 67 67 VAL CA C 67 64.129 65.576 -1.447 1
1 711 . 17 1 1 A 67 67 VAL CB C 67 32.554 32.275 0.279 1
1 714 . 17 1 1 A 67 67 VAL N N 67 130.509 127.476 3.033 1
1 715 . 17 1 1 A 68 68 GLY H H 68 6.365 7.399 -1.034 1
1 716 . 17 1 1 A 68 68 GLY HA2 H 68 3.003 4.012 -1.009 1
1 717 . 17 1 1 A 68 68 GLY HA3 H 68 4.513 4.149 0.364 1
1 718 . 17 1 1 A 68 68 GLY CA C 68 43.722 45.846 -2.124 1
1 719 . 17 1 1 A 68 68 GLY N N 68 102.729 105.735 -3.006 1
1 720 . 17 1 1 A 69 69 GLY H H 69 9.087 8.819 0.268 1
1 721 . 17 1 1 A 69 69 GLY HA2 H 69 3.752 4.152 -0.400 1
1 722 . 17 1 1 A 69 69 GLY HA3 H 69 4.633 4.430 0.203 1
1 723 . 17 1 1 A 69 69 GLY CA C 69 43.851 45.162 -1.311 1
1 724 . 17 1 1 A 69 69 GLY N N 69 110.274 112.476 -2.202 1
1 725 . 17 1 1 A 70 70 CYS H H 70 8.467 8.849 -0.382 1
1 726 . 17 1 1 A 70 70 CYS HA H 70 3.806 4.101 -0.295 1
1 729 . 17 1 1 A 70 70 CYS CA C 70 63.366 62.589 0.777 1
1 730 . 17 1 1 A 70 70 CYS CB C 70 27.642 26.776 0.866 1
1 731 . 17 1 1 A 70 70 CYS N N 70 118.787 120.546 -1.759 1
1 732 . 17 1 1 A 71 71 ASP HA H 71 4.398 4.252 0.146 1
1 735 . 17 1 1 A 71 71 ASP CA C 71 57.405 57.814 -0.409 1
1 736 . 17 1 1 A 71 71 ASP CB C 71 39.058 41.911 -2.853 1
1 737 . 17 1 1 A 72 72 ASP H H 72 7.266 8.047 -0.781 1
1 738 . 17 1 1 A 72 72 ASP HA H 72 4.285 4.383 -0.098 1
1 741 . 17 1 1 A 72 72 ASP CA C 72 57.322 57.398 -0.076 1
1 742 . 17 1 1 A 72 72 ASP CB C 72 41.553 40.933 0.620 1
1 743 . 17 1 1 A 72 72 ASP N N 72 119.650 119.552 0.098 1
1 744 . 17 1 1 A 73 73 LEU H H 73 7.755 8.367 -0.612 1
1 745 . 17 1 1 A 73 73 LEU HA H 73 3.736 4.091 -0.355 1
1 755 . 17 1 1 A 73 73 LEU CA C 73 58.272 58.074 0.198 1
1 756 . 17 1 1 A 73 73 LEU CB C 73 41.995 41.732 0.263 1
1 760 . 17 1 1 A 73 73 LEU N N 73 121.526 120.765 0.761 1
1 761 . 17 1 1 A 74 74 TYR H H 74 8.244 8.630 -0.386 1
1 762 . 17 1 1 A 74 74 TYR HA H 74 3.697 4.124 -0.427 1
1 769 . 17 1 1 A 74 74 TYR CA C 74 62.802 61.431 1.371 1
1 770 . 17 1 1 A 74 74 TYR CB C 74 37.819 37.536 0.283 1
1 771 . 17 1 1 A 74 74 TYR N N 74 116.552 117.971 -1.419 1
1 772 . 17 1 1 A 75 75 ALA H H 75 8.169 8.255 -0.086 1
1 773 . 17 1 1 A 75 75 ALA HA H 75 4.286 4.161 0.125 1
1 777 . 17 1 1 A 75 75 ALA CA C 75 55.465 54.972 0.493 1
1 778 . 17 1 1 A 75 75 ALA CB C 75 17.722 18.503 -0.781 1
1 779 . 17 1 1 A 75 75 ALA N N 75 122.825 122.748 0.077 1
1 780 . 17 1 1 A 76 76 LEU H H 76 7.353 8.345 -0.992 1
1 781 . 17 1 1 A 76 76 LEU HA H 76 4.003 4.068 -0.065 1
1 791 . 17 1 1 A 76 76 LEU CA C 76 57.687 57.840 -0.153 1
1 792 . 17 1 1 A 76 76 LEU CB C 76 42.753 41.611 1.142 1
1 796 . 17 1 1 A 76 76 LEU N N 76 116.756 120.552 -3.796 1
1 797 . 17 1 1 A 77 77 GLU H H 77 7.420 8.383 -0.963 1
1 798 . 17 1 1 A 77 77 GLU HA H 77 4.575 4.048 0.527 1
1 803 . 17 1 1 A 77 77 GLU CA C 77 57.962 58.873 -0.911 1
1 804 . 17 1 1 A 77 77 GLU CB C 77 28.292 28.533 -0.241 1
1 806 . 17 1 1 A 77 77 GLU N N 77 121.356 117.725 3.631 1
1 807 . 17 1 1 A 78 78 ASP H H 78 8.637 7.783 0.854 1
1 808 . 17 1 1 A 78 78 ASP HA H 78 4.399 4.384 0.015 1
1 811 . 17 1 1 A 78 78 ASP CA C 78 57.569 56.743 0.826 1
1 812 . 17 1 1 A 78 78 ASP CB C 78 40.715 41.019 -0.304 1
1 813 . 17 1 1 A 78 78 ASP N N 78 123.396 120.722 2.674 1
1 814 . 17 1 1 A 79 79 GLU H H 79 7.773 8.111 -0.338 1
1 815 . 17 1 1 A 79 79 GLU HA H 79 4.283 4.390 -0.107 1
1 820 . 17 1 1 A 79 79 GLU CA C 79 56.357 56.221 0.136 1
1 821 . 17 1 1 A 79 79 GLU CB C 79 30.855 30.899 -0.044 1
1 823 . 17 1 1 A 79 79 GLU N N 79 115.336 116.155 -0.819 1
1 824 . 17 1 1 A 80 80 GLY H H 80 8.050 7.787 0.263 1
1 825 . 17 1 1 A 80 80 GLY HA2 H 80 4.031 3.963 0.068 1
1 826 . 17 1 1 A 80 80 GLY HA3 H 80 4.031 3.965 0.066 1
1 827 . 17 1 1 A 80 80 GLY CA C 80 46.314 46.098 0.216 1
1 828 . 17 1 1 A 80 80 GLY N N 80 108.957 108.446 0.511 1
1 829 . 17 1 1 A 81 81 LYS H H 81 8.188 7.581 0.607 1
1 830 . 17 1 1 A 81 81 LYS HA H 81 4.415 4.339 0.076 1
1 839 . 17 1 1 A 81 81 LYS CA C 81 56.716 57.071 -0.355 1
1 840 . 17 1 1 A 81 81 LYS CB C 81 35.935 32.770 3.165 1
1 844 . 17 1 1 A 81 81 LYS N N 81 116.879 118.580 -1.701 1
1 845 . 17 1 1 A 82 82 LEU H H 82 7.499 8.164 -0.665 1
1 846 . 17 1 1 A 82 82 LEU HA H 82 3.977 4.008 -0.031 1
1 856 . 17 1 1 A 82 82 LEU CA C 82 57.480 58.161 -0.681 1
1 857 . 17 1 1 A 82 82 LEU CB C 82 40.489 41.352 -0.863 1
1 861 . 17 1 1 A 82 82 LEU N N 82 122.734 122.253 0.481 1
1 862 . 17 1 1 A 83 83 ASP H H 83 8.625 8.292 0.333 1
1 863 . 17 1 1 A 83 83 ASP HA H 83 4.248 4.387 -0.139 1
1 866 . 17 1 1 A 83 83 ASP CA C 83 58.680 57.764 0.916 1
1 867 . 17 1 1 A 83 83 ASP CB C 83 40.149 41.999 -1.850 1
1 868 . 17 1 1 A 83 83 ASP N N 83 119.728 119.568 0.160 1
1 869 . 17 1 1 A 84 84 SER H H 84 8.426 7.849 0.577 1
1 870 . 17 1 1 A 84 84 SER HA H 84 4.219 4.297 -0.078 1
1 873 . 17 1 1 A 84 84 SER CA C 84 61.473 61.110 0.363 1
1 874 . 17 1 1 A 84 84 SER CB C 84 62.589 62.959 -0.370 1
1 875 . 17 1 1 A 84 84 SER N N 84 113.454 114.449 -0.995 1
1 876 . 17 1 1 A 85 85 LEU H H 85 7.551 7.947 -0.396 1
1 877 . 17 1 1 A 85 85 LEU HA H 85 4.319 4.103 0.216 1
1 887 . 17 1 1 A 85 85 LEU CA C 85 58.355 57.703 0.652 1
1 888 . 17 1 1 A 85 85 LEU CB C 85 41.588 41.385 0.203 1
1 892 . 17 1 1 A 85 85 LEU N N 85 126.500 122.330 4.170 1
1 893 . 17 1 1 A 86 86 LEU H H 86 8.382 7.901 0.481 1
1 894 . 17 1 1 A 86 86 LEU HA H 86 3.827 4.094 -0.267 1
1 904 . 17 1 1 A 86 86 LEU CA C 86 57.826 57.679 0.147 1
1 905 . 17 1 1 A 86 86 LEU CB C 86 41.840 41.422 0.418 1
1 909 . 17 1 1 A 86 86 LEU N N 86 117.962 116.186 1.776 1
1 910 . 17 1 1 A 87 87 LYS H H 87 7.522 7.634 -0.112 1
1 911 . 17 1 1 A 87 87 LYS HA H 87 4.331 4.101 0.230 1
1 920 . 17 1 1 A 87 87 LYS CA C 87 58.325 59.275 -0.950 1
1 921 . 17 1 1 A 87 87 LYS CB C 87 34.043 32.520 1.523 1
1 925 . 17 1 1 A 87 87 LYS N N 87 114.198 119.038 -4.840 1
1 926 . 17 1 1 A 88 88 THR H H 88 8.165 8.163 0.002 1
1 927 . 17 1 1 A 88 88 THR HA H 88 4.507 4.429 0.078 1
1 932 . 17 1 1 A 88 88 THR CA C 88 62.385 62.590 -0.205 1
1 933 . 17 1 1 A 88 88 THR CB C 88 72.525 70.521 2.004 1
1 935 . 17 1 1 A 88 88 THR N N 88 106.021 108.349 -2.328 1
1 936 . 17 1 1 A 89 89 GLY H H 89 9.139 8.980 0.159 1
1 937 . 17 1 1 A 89 89 GLY HA2 H 89 3.612 3.913 -0.301 1
1 938 . 17 1 1 A 89 89 GLY HA3 H 89 4.204 3.920 0.284 1
1 939 . 17 1 1 A 89 89 GLY CA C 89 46.770 45.757 1.013 1
1 940 . 17 1 1 A 89 89 GLY N N 89 112.926 112.046 0.880 1
1 941 . 17 1 1 A 90 90 LYS H H 90 7.933 7.200 0.733 1
1 942 . 17 1 1 A 90 90 LYS HA H 90 4.459 4.656 -0.197 1
1 951 . 17 1 1 A 90 90 LYS CA C 90 54.576 55.114 -0.538 1
1 952 . 17 1 1 A 90 90 LYS CB C 90 35.788 34.615 1.173 1
1 956 . 17 1 1 A 90 90 LYS N N 90 117.810 115.224 2.586 1
1 957 . 17 1 1 A 91 91 LEU H H 91 8.487 8.840 -0.353 1
1 958 . 17 1 1 A 91 91 LEU HA H 91 4.423 4.304 0.119 1
1 968 . 17 1 1 A 91 91 LEU CA C 91 54.491 55.650 -1.159 1
1 969 . 17 1 1 A 91 91 LEU CB C 91 43.083 41.732 1.351 1
1 973 . 17 1 1 A 91 91 LEU N N 91 123.364 122.880 0.484 1
1 1 . 18 1 1 A 2 2 PRO HA H 2 4.444 4.455 -0.011 1
1 8 . 18 1 1 A 2 2 PRO CA C 2 63.468 63.700 -0.232 1
1 9 . 18 1 1 A 2 2 PRO CB C 2 32.153 31.402 0.751 1
1 12 . 18 1 1 A 3 3 GLY H H 3 8.672 8.220 0.452 1
1 13 . 18 1 1 A 3 3 GLY HA2 H 3 4.759 4.182 0.577 1
1 14 . 18 1 1 A 3 3 GLY HA3 H 3 4.759 4.183 0.576 1
1 15 . 18 1 1 A 3 3 GLY CA C 3 45.323 45.194 0.129 1
1 16 . 18 1 1 A 3 3 GLY N N 3 110.465 111.196 -0.731 1
1 17 . 18 1 1 A 4 4 SER H H 4 8.201 8.746 -0.545 1
1 18 . 18 1 1 A 4 4 SER HA H 4 4.454 4.646 -0.192 1
1 21 . 18 1 1 A 4 4 SER CA C 4 58.370 59.235 -0.865 1
1 22 . 18 1 1 A 4 4 SER CB C 4 64.049 65.105 -1.056 1
1 23 . 18 1 1 A 4 4 SER N N 4 115.747 116.337 -0.590 1
1 24 . 18 1 1 A 5 5 MET H H 5 8.315 7.569 0.746 1
1 25 . 18 1 1 A 5 5 MET HA H 5 4.675 4.743 -0.068 1
1 30 . 18 1 1 A 5 5 MET CA C 5 55.466 54.708 0.758 1
1 31 . 18 1 1 A 5 5 MET CB C 5 34.462 35.383 -0.921 1
1 33 . 18 1 1 A 5 5 MET N N 5 121.679 115.978 5.701 1
1 34 . 18 1 1 A 6 6 VAL H H 6 8.169 8.771 -0.602 1
1 35 . 18 1 1 A 6 6 VAL HA H 6 4.141 4.885 -0.744 1
1 43 . 18 1 1 A 6 6 VAL CA C 6 61.395 59.313 2.082 1
1 44 . 18 1 1 A 6 6 VAL CB C 6 32.669 35.776 -3.107 1
1 47 . 18 1 1 A 6 6 VAL N N 6 118.330 118.050 0.280 1
1 48 . 18 1 1 A 7 7 ASP H H 7 8.335 8.888 -0.553 1
1 49 . 18 1 1 A 7 7 ASP HA H 7 4.526 4.765 -0.239 1
1 52 . 18 1 1 A 7 7 ASP CA C 7 55.023 54.907 0.116 1
1 53 . 18 1 1 A 7 7 ASP CB C 7 41.455 41.144 0.311 1
1 54 . 18 1 1 A 7 7 ASP N N 7 122.032 123.859 -1.827 1
1 55 . 18 1 1 A 8 8 VAL H H 8 8.662 8.726 -0.064 1
1 56 . 18 1 1 A 8 8 VAL HA H 8 4.947 5.092 -0.145 1
1 64 . 18 1 1 A 8 8 VAL CA C 8 61.415 61.132 0.283 1
1 65 . 18 1 1 A 8 8 VAL CB C 8 33.703 34.483 -0.780 1
1 68 . 18 1 1 A 8 8 VAL N N 8 124.216 123.655 0.561 1
1 69 . 18 1 1 A 9 9 ILE H H 9 9.311 9.098 0.213 1
1 70 . 18 1 1 A 9 9 ILE HA H 9 4.963 5.056 -0.093 1
1 80 . 18 1 1 A 9 9 ILE CA C 9 59.648 59.995 -0.347 1
1 81 . 18 1 1 A 9 9 ILE CB C 9 41.374 42.651 -1.277 1
1 85 . 18 1 1 A 9 9 ILE N N 9 129.869 126.498 3.371 1
1 86 . 18 1 1 A 10 10 ILE H H 10 8.720 9.271 -0.551 1
1 87 . 18 1 1 A 10 10 ILE HA H 10 5.442 5.372 0.070 1
1 97 . 18 1 1 A 10 10 ILE CA C 10 58.153 58.303 -0.150 1
1 98 . 18 1 1 A 10 10 ILE CB C 10 41.947 41.429 0.518 1
1 102 . 18 1 1 A 10 10 ILE N N 10 123.598 128.324 -4.726 1
1 103 . 18 1 1 A 11 11 TYR H H 11 9.340 8.646 0.694 1
1 104 . 18 1 1 A 11 11 TYR HA H 11 5.667 5.665 0.002 1
1 111 . 18 1 1 A 11 11 TYR CA C 11 57.300 56.190 1.110 1
1 112 . 18 1 1 A 11 11 TYR CB C 11 40.550 40.667 -0.117 1
1 113 . 18 1 1 A 11 11 TYR N N 11 128.888 127.577 1.311 1
1 114 . 18 1 1 A 12 12 THR H H 12 9.374 8.804 0.570 1
1 115 . 18 1 1 A 12 12 THR HA H 12 5.277 5.001 0.276 1
1 120 . 18 1 1 A 12 12 THR CA C 12 59.567 59.836 -0.269 1
1 121 . 18 1 1 A 12 12 THR CB C 12 72.183 71.935 0.248 1
1 123 . 18 1 1 A 12 12 THR N N 12 112.083 117.699 -5.616 1
1 124 . 18 1 1 A 13 13 ARG H H 13 7.379 8.715 -1.336 1
1 125 . 18 1 1 A 13 13 ARG HA H 13 4.779 4.781 -0.002 1
1 132 . 18 1 1 A 13 13 ARG CA C 13 52.961 53.810 -0.849 1
1 133 . 18 1 1 A 13 13 ARG CB C 13 31.374 31.625 -0.251 1
1 136 . 18 1 1 A 13 13 ARG N N 13 113.131 124.505 -11.374 1
1 137 . 18 1 1 A 14 14 PRO HA H 14 4.276 4.284 -0.008 1
1 144 . 18 1 1 A 14 14 PRO CA C 14 63.498 63.752 -0.254 1
1 145 . 18 1 1 A 14 14 PRO CB C 14 32.015 31.324 0.691 1
1 148 . 18 1 1 A 15 15 GLY H H 15 8.672 8.829 -0.157 1
1 149 . 18 1 1 A 15 15 GLY HA2 H 15 3.946 3.882 0.064 1
1 150 . 18 1 1 A 15 15 GLY HA3 H 15 3.946 3.888 0.058 1
1 151 . 18 1 1 A 15 15 GLY N N 15 110.274 112.234 -1.960 1
1 152 . 18 1 1 A 16 16 CYS H H 16 6.985 7.470 -0.485 1
1 153 . 18 1 1 A 16 16 CYS HA H 16 4.769 4.644 0.125 1
1 156 . 18 1 1 A 16 16 CYS CA C 16 56.315 55.790 0.525 1
1 157 . 18 1 1 A 16 16 CYS CB C 16 31.724 29.058 2.666 1
1 158 . 18 1 1 A 16 16 CYS N N 16 124.357 119.636 4.721 1
1 159 . 18 1 1 A 17 17 PRO HA H 17 4.417 4.244 0.173 1
1 166 . 18 1 1 A 17 17 PRO CA C 17 64.516 65.529 -1.013 1
1 167 . 18 1 1 A 17 17 PRO CB C 17 32.205 31.529 0.676 1
1 170 . 18 1 1 A 18 18 TYR H H 18 9.273 7.373 1.900 1
1 171 . 18 1 1 A 18 18 TYR HA H 18 4.375 4.187 0.188 1
1 178 . 18 1 1 A 18 18 TYR CA C 18 61.227 61.473 -0.246 1
1 179 . 18 1 1 A 18 18 TYR CB C 18 38.025 37.583 0.442 1
1 180 . 18 1 1 A 18 18 TYR N N 18 127.619 117.599 10.020 1
1 181 . 18 1 1 A 19 19 CYS H H 19 9.854 8.233 1.621 1
1 182 . 18 1 1 A 19 19 CYS HA H 19 3.870 4.058 -0.188 1
1 185 . 18 1 1 A 19 19 CYS CA C 19 64.810 63.043 1.767 1
1 186 . 18 1 1 A 19 19 CYS CB C 19 29.498 27.278 2.220 1
1 187 . 18 1 1 A 19 19 CYS N N 19 128.016 119.397 8.619 1
1 188 . 18 1 1 A 20 20 ALA H H 20 7.948 7.912 0.036 1
1 189 . 18 1 1 A 20 20 ALA HA H 20 3.995 3.987 0.008 1
1 193 . 18 1 1 A 20 20 ALA CA C 20 55.804 55.372 0.432 1
1 194 . 18 1 1 A 20 20 ALA CB C 20 18.201 18.597 -0.396 1
1 195 . 18 1 1 A 20 20 ALA N N 20 121.373 122.199 -0.826 1
1 196 . 18 1 1 A 21 21 ARG H H 21 8.064 7.616 0.448 1
1 197 . 18 1 1 A 21 21 ARG HA H 21 4.159 4.038 0.121 1
1 204 . 18 1 1 A 21 21 ARG CA C 21 59.500 59.612 -0.112 1
1 205 . 18 1 1 A 21 21 ARG CB C 21 30.535 30.095 0.440 1
1 208 . 18 1 1 A 21 21 ARG N N 21 119.886 117.561 2.325 1
1 209 . 18 1 1 A 22 22 ALA H H 22 8.342 7.717 0.625 1
1 210 . 18 1 1 A 22 22 ALA HA H 22 4.174 4.088 0.086 1
1 214 . 18 1 1 A 22 22 ALA CA C 22 55.658 55.406 0.252 1
1 215 . 18 1 1 A 22 22 ALA CB C 22 19.485 18.449 1.036 1
1 216 . 18 1 1 A 22 22 ALA N N 22 125.852 121.895 3.957 1
1 217 . 18 1 1 A 23 23 LYS H H 23 7.968 8.055 -0.087 1
1 218 . 18 1 1 A 23 23 LYS HA H 23 3.243 3.586 -0.343 1
1 227 . 18 1 1 A 23 23 LYS CA C 23 60.699 59.042 1.657 1
1 228 . 18 1 1 A 23 23 LYS CB C 23 31.640 32.376 -0.736 1
1 232 . 18 1 1 A 23 23 LYS N N 23 116.539 116.881 -0.342 1
1 233 . 18 1 1 A 24 24 ALA H H 24 8.027 8.116 -0.089 1
1 234 . 18 1 1 A 24 24 ALA HA H 24 4.152 4.145 0.007 1
1 238 . 18 1 1 A 24 24 ALA CA C 24 55.067 55.036 0.031 1
1 239 . 18 1 1 A 24 24 ALA CB C 24 18.039 18.384 -0.345 1
1 240 . 18 1 1 A 24 24 ALA N N 24 120.099 122.457 -2.358 1
1 241 . 18 1 1 A 25 25 LEU H H 25 7.184 8.199 -1.015 1
1 242 . 18 1 1 A 25 25 LEU HA H 25 4.089 4.052 0.037 1
1 252 . 18 1 1 A 25 25 LEU CA C 25 57.761 58.430 -0.669 1
1 253 . 18 1 1 A 25 25 LEU CB C 25 40.444 42.016 -1.572 1
1 257 . 18 1 1 A 25 25 LEU N N 25 119.676 119.642 0.034 1
1 258 . 18 1 1 A 26 26 LEU H H 26 7.477 8.308 -0.831 1
1 259 . 18 1 1 A 26 26 LEU HA H 26 3.701 3.946 -0.245 1
1 269 . 18 1 1 A 26 26 LEU CA C 26 58.523 57.992 0.531 1
1 270 . 18 1 1 A 26 26 LEU CB C 26 41.105 41.432 -0.327 1
1 274 . 18 1 1 A 26 26 LEU N N 26 117.225 119.152 -1.927 1
1 275 . 18 1 1 A 27 27 ALA H H 27 8.657 8.518 0.139 1
1 276 . 18 1 1 A 27 27 ALA HA H 27 4.368 4.204 0.164 1
1 280 . 18 1 1 A 27 27 ALA CA C 27 55.066 55.104 -0.038 1
1 281 . 18 1 1 A 27 27 ALA CB C 27 18.137 18.155 -0.018 1
1 282 . 18 1 1 A 27 27 ALA N N 27 119.692 122.226 -2.534 1
1 283 . 18 1 1 A 28 28 ARG H H 28 8.048 8.071 -0.023 1
1 284 . 18 1 1 A 28 28 ARG HA H 28 4.110 4.076 0.034 1
1 291 . 18 1 1 A 28 28 ARG CA C 28 59.249 59.121 0.128 1
1 292 . 18 1 1 A 28 28 ARG CB C 28 29.962 29.808 0.154 1
1 295 . 18 1 1 A 28 28 ARG N N 28 121.433 118.676 2.757 1
1 296 . 18 1 1 A 29 29 LYS H H 29 7.660 7.522 0.138 1
1 297 . 18 1 1 A 29 29 LYS HA H 29 4.192 4.217 -0.025 1
1 306 . 18 1 1 A 29 29 LYS CA C 29 54.864 56.155 -1.291 1
1 307 . 18 1 1 A 29 29 LYS CB C 29 31.476 32.810 -1.334 1
1 311 . 18 1 1 A 29 29 LYS N N 29 115.942 116.085 -0.143 1
1 312 . 18 1 1 A 30 30 GLY H H 30 7.919 8.031 -0.112 1
1 313 . 18 1 1 A 30 30 GLY HA2 H 30 3.734 4.009 -0.275 1
1 314 . 18 1 1 A 30 30 GLY HA3 H 30 4.013 4.010 0.003 1
1 315 . 18 1 1 A 30 30 GLY CA C 30 45.497 45.584 -0.087 1
1 316 . 18 1 1 A 30 30 GLY N N 30 107.837 106.515 1.322 1
1 317 . 18 1 1 A 31 31 ALA H H 31 7.830 7.585 0.245 1
1 318 . 18 1 1 A 31 31 ALA HA H 31 4.446 4.512 -0.066 1
1 322 . 18 1 1 A 31 31 ALA CA C 31 51.562 51.099 0.463 1
1 323 . 18 1 1 A 31 31 ALA CB C 31 19.964 20.593 -0.629 1
1 324 . 18 1 1 A 31 31 ALA N N 31 122.333 123.087 -0.754 1
1 325 . 18 1 1 A 32 32 GLU H H 32 8.322 8.718 -0.396 1
1 326 . 18 1 1 A 32 32 GLU HA H 32 4.173 4.314 -0.141 1
1 331 . 18 1 1 A 32 32 GLU CA C 32 55.621 57.083 -1.462 1
1 332 . 18 1 1 A 32 32 GLU CB C 32 29.734 30.142 -0.408 1
1 334 . 18 1 1 A 32 32 GLU N N 32 124.383 123.096 1.287 1
1 335 . 18 1 1 A 33 33 PHE H H 33 7.623 8.562 -0.939 1
1 336 . 18 1 1 A 33 33 PHE HA H 33 5.151 5.243 -0.092 1
1 344 . 18 1 1 A 33 33 PHE CA C 33 55.106 55.592 -0.486 1
1 345 . 18 1 1 A 33 33 PHE CB C 33 41.937 41.942 -0.005 1
1 346 . 18 1 1 A 33 33 PHE N N 33 116.953 118.347 -1.394 1
1 347 . 18 1 1 A 34 34 ASN H H 34 8.938 8.955 -0.017 1
1 348 . 18 1 1 A 34 34 ASN HA H 34 4.897 5.164 -0.267 1
1 353 . 18 1 1 A 34 34 ASN CA C 34 52.081 52.340 -0.259 1
1 354 . 18 1 1 A 34 34 ASN CB C 34 39.784 40.393 -0.609 1
1 355 . 18 1 1 A 34 34 ASN N N 34 120.410 119.860 0.550 1
1 357 . 18 1 1 A 35 35 GLU H H 35 8.764 9.050 -0.286 1
1 358 . 18 1 1 A 35 35 GLU HA H 35 5.135 4.909 0.226 1
1 363 . 18 1 1 A 35 35 GLU CA C 35 54.519 55.963 -1.444 1
1 364 . 18 1 1 A 35 35 GLU CB C 35 31.306 30.680 0.626 1
1 366 . 18 1 1 A 35 35 GLU N N 35 126.769 127.683 -0.914 1
1 367 . 18 1 1 A 36 36 ILE H H 36 8.975 8.693 0.282 1
1 368 . 18 1 1 A 36 36 ILE HA H 36 4.108 4.739 -0.631 1
1 378 . 18 1 1 A 36 36 ILE CA C 36 60.156 58.952 1.204 1
1 379 . 18 1 1 A 36 36 ILE CB C 36 40.382 41.787 -1.405 1
1 383 . 18 1 1 A 36 36 ILE N N 36 130.393 127.662 2.731 1
1 384 . 18 1 1 A 37 37 ASP H H 37 8.494 8.657 -0.163 1
1 385 . 18 1 1 A 37 37 ASP HA H 37 4.965 5.127 -0.162 1
1 388 . 18 1 1 A 37 37 ASP CA C 37 52.537 52.661 -0.124 1
1 389 . 18 1 1 A 37 37 ASP CB C 37 39.350 42.979 -3.629 1
1 390 . 18 1 1 A 37 37 ASP N N 37 125.910 124.148 1.762 1
1 391 . 18 1 1 A 38 38 ALA H H 38 8.764 8.013 0.751 1
1 392 . 18 1 1 A 38 38 ALA HA H 38 4.621 4.311 0.310 1
1 396 . 18 1 1 A 38 38 ALA CA C 38 51.729 52.912 -1.183 1
1 397 . 18 1 1 A 38 38 ALA CB C 38 20.588 20.907 -0.319 1
1 398 . 18 1 1 A 38 38 ALA N N 38 130.164 123.924 6.240 1
1 399 . 18 1 1 A 39 39 SER H H 39 8.668 8.053 0.615 1
1 400 . 18 1 1 A 39 39 SER HA H 39 4.469 4.102 0.367 1
1 403 . 18 1 1 A 39 39 SER CA C 39 59.342 61.115 -1.773 1
1 404 . 18 1 1 A 39 39 SER CB C 39 64.938 63.160 1.778 1
1 405 . 18 1 1 A 39 39 SER N N 39 111.397 113.864 -2.467 1
1 406 . 18 1 1 A 40 40 ALA H H 40 7.466 7.779 -0.313 1
1 407 . 18 1 1 A 40 40 ALA HA H 40 4.136 4.099 0.037 1
1 411 . 18 1 1 A 40 40 ALA CA C 40 55.000 54.995 0.005 1
1 412 . 18 1 1 A 40 40 ALA CB C 40 20.463 18.877 1.586 1
1 413 . 18 1 1 A 40 40 ALA N N 40 124.335 122.138 2.197 1
1 414 . 18 1 1 A 41 41 THR H H 41 7.098 7.442 -0.344 1
1 415 . 18 1 1 A 41 41 THR HA H 41 4.978 4.884 0.094 1
1 420 . 18 1 1 A 41 41 THR CA C 41 57.841 58.750 -0.909 1
1 421 . 18 1 1 A 41 41 THR CB C 41 70.742 71.037 -0.295 1
1 423 . 18 1 1 A 41 41 THR N N 41 105.166 107.814 -2.648 1
1 424 . 18 1 1 A 42 42 PRO HA H 42 4.299 4.343 -0.044 1
1 431 . 18 1 1 A 42 42 PRO CA C 42 64.586 65.347 -0.761 1
1 432 . 18 1 1 A 42 42 PRO CB C 42 31.963 31.946 0.017 1
1 435 . 18 1 1 A 43 43 GLU H H 43 8.997 8.195 0.802 1
1 436 . 18 1 1 A 43 43 GLU HA H 43 4.052 4.110 -0.058 1
1 441 . 18 1 1 A 43 43 GLU CA C 43 60.694 59.590 1.104 1
1 442 . 18 1 1 A 43 43 GLU CB C 43 28.709 29.709 -1.000 1
1 444 . 18 1 1 A 43 43 GLU N N 43 118.804 118.271 0.533 1
1 445 . 18 1 1 A 44 44 LEU H H 44 7.882 8.452 -0.570 1
1 446 . 18 1 1 A 44 44 LEU HA H 44 4.285 4.130 0.155 1
1 456 . 18 1 1 A 44 44 LEU CA C 44 57.573 57.705 -0.132 1
1 457 . 18 1 1 A 44 44 LEU CB C 44 42.548 41.116 1.432 1
1 461 . 18 1 1 A 44 44 LEU N N 44 122.381 120.275 2.106 1
1 462 . 18 1 1 A 45 45 ARG H H 45 7.709 7.704 0.005 1
1 463 . 18 1 1 A 45 45 ARG HA H 45 4.026 4.106 -0.080 1
1 470 . 18 1 1 A 45 45 ARG CA C 45 60.055 59.207 0.848 1
1 471 . 18 1 1 A 45 45 ARG CB C 45 29.943 29.558 0.385 1
1 474 . 18 1 1 A 45 45 ARG N N 45 122.487 121.426 1.061 1
1 475 . 18 1 1 A 46 46 ALA H H 46 8.144 8.104 0.040 1
1 476 . 18 1 1 A 46 46 ALA HA H 46 4.074 4.226 -0.152 1
1 480 . 18 1 1 A 46 46 ALA CA C 46 54.865 55.473 -0.608 1
1 481 . 18 1 1 A 46 46 ALA CB C 46 17.777 18.400 -0.623 1
1 482 . 18 1 1 A 46 46 ALA N N 46 121.132 122.274 -1.142 1
1 483 . 18 1 1 A 47 47 GLU H H 47 7.902 7.943 -0.041 1
1 484 . 18 1 1 A 47 47 GLU HA H 47 3.995 4.089 -0.094 1
1 489 . 18 1 1 A 47 47 GLU CA C 47 59.524 59.322 0.202 1
1 490 . 18 1 1 A 47 47 GLU CB C 47 29.915 29.027 0.888 1
1 492 . 18 1 1 A 47 47 GLU N N 47 121.104 116.765 4.339 1
1 493 . 18 1 1 A 48 48 MET H H 48 7.984 7.775 0.209 1
1 494 . 18 1 1 A 48 48 MET HA H 48 2.786 4.425 -1.639 1
1 499 . 18 1 1 A 48 48 MET CA C 48 59.662 58.431 1.231 1
1 500 . 18 1 1 A 48 48 MET CB C 48 33.701 32.364 1.337 1
1 502 . 18 1 1 A 48 48 MET N N 48 118.769 120.364 -1.595 1
1 503 . 18 1 1 A 49 49 GLN H H 49 8.209 8.315 -0.106 1
1 504 . 18 1 1 A 49 49 GLN HA H 49 4.299 4.237 0.062 1
1 511 . 18 1 1 A 49 49 GLN CA C 49 58.669 57.788 0.881 1
1 512 . 18 1 1 A 49 49 GLN CB C 49 28.742 27.436 1.306 1
1 514 . 18 1 1 A 49 49 GLN N N 49 122.155 117.524 4.631 1
1 516 . 18 1 1 A 50 50 GLU H H 50 8.671 7.934 0.737 1
1 517 . 18 1 1 A 50 50 GLU HA H 50 3.904 4.127 -0.223 1
1 522 . 18 1 1 A 50 50 GLU CA C 50 59.156 59.087 0.069 1
1 523 . 18 1 1 A 50 50 GLU CB C 50 29.504 29.209 0.295 1
1 525 . 18 1 1 A 50 50 GLU N N 50 122.081 120.304 1.777 1
1 526 . 18 1 1 A 51 51 ARG H H 51 8.244 7.541 0.703 1
1 527 . 18 1 1 A 51 51 ARG HA H 51 3.993 4.323 -0.330 1
1 534 . 18 1 1 A 51 51 ARG CA C 51 58.503 57.812 0.691 1
1 535 . 18 1 1 A 51 51 ARG CB C 51 31.363 31.177 0.186 1
1 538 . 18 1 1 A 51 51 ARG N N 51 115.848 119.787 -3.939 1
1 539 . 18 1 1 A 52 52 SER H H 52 7.994 7.439 0.555 1
1 540 . 18 1 1 A 52 52 SER HA H 52 3.674 4.235 -0.561 1
1 543 . 18 1 1 A 52 52 SER CA C 52 58.897 58.943 -0.046 1
1 544 . 18 1 1 A 52 52 SER CB C 52 66.908 63.611 3.297 1
1 545 . 18 1 1 A 52 52 SER N N 52 109.721 111.613 -1.892 1
1 546 . 18 1 1 A 53 53 GLY H H 53 8.205 8.863 -0.658 1
1 547 . 18 1 1 A 53 53 GLY HA2 H 53 3.815 3.836 -0.021 1
1 548 . 18 1 1 A 53 53 GLY HA3 H 53 4.063 3.864 0.199 1
1 549 . 18 1 1 A 53 53 GLY CA C 53 46.182 45.568 0.614 1
1 550 . 18 1 1 A 53 53 GLY N N 53 112.716 109.121 3.595 1
1 551 . 18 1 1 A 54 54 ARG H H 54 8.323 7.719 0.604 1
1 552 . 18 1 1 A 54 54 ARG HA H 54 4.595 4.755 -0.160 1
1 559 . 18 1 1 A 54 54 ARG CA C 54 54.426 53.879 0.547 1
1 560 . 18 1 1 A 54 54 ARG CB C 54 35.418 32.580 2.838 1
1 563 . 18 1 1 A 54 54 ARG N N 54 119.629 120.125 -0.496 1
1 564 . 18 1 1 A 55 55 ASN H H 55 8.184 8.788 -0.604 1
1 565 . 18 1 1 A 55 55 ASN HA H 55 4.692 4.549 0.143 1
1 570 . 18 1 1 A 55 55 ASN CA C 55 51.458 56.127 -4.669 1
1 571 . 18 1 1 A 55 55 ASN N N 55 112.763 119.281 -6.518 1
1 573 . 18 1 1 A 56 56 THR H H 56 6.730 7.686 -0.956 1
1 574 . 18 1 1 A 56 56 THR HA H 56 4.309 4.944 -0.635 1
1 579 . 18 1 1 A 56 56 THR CA C 56 59.120 61.474 -2.354 1
1 580 . 18 1 1 A 56 56 THR CB C 56 70.754 72.287 -1.533 1
1 582 . 18 1 1 A 56 56 THR N N 56 107.946 110.936 -2.990 1
1 583 . 18 1 1 A 57 57 PHE H H 57 8.568 9.052 -0.484 1
1 584 . 18 1 1 A 57 57 PHE HA H 57 4.641 5.142 -0.501 1
1 592 . 18 1 1 A 57 57 PHE CA C 57 54.923 55.355 -0.432 1
1 593 . 18 1 1 A 57 57 PHE CB C 57 41.272 40.642 0.630 1
1 594 . 18 1 1 A 57 57 PHE N N 57 117.566 121.843 -4.277 1
1 595 . 18 1 1 A 58 58 PRO HA H 58 5.604 4.737 0.867 1
1 602 . 18 1 1 A 58 58 PRO CA C 58 62.749 62.566 0.183 1
1 603 . 18 1 1 A 58 58 PRO CB C 58 36.563 31.626 4.937 1
1 606 . 18 1 1 A 59 59 GLN H H 59 7.926 8.471 -0.545 1
1 607 . 18 1 1 A 59 59 GLN HA H 59 4.813 4.697 0.116 1
1 614 . 18 1 1 A 59 59 GLN CA C 59 55.111 55.101 0.010 1
1 615 . 18 1 1 A 59 59 GLN CB C 59 31.737 29.835 1.902 1
1 617 . 18 1 1 A 59 59 GLN N N 59 112.301 121.640 -9.339 1
1 619 . 18 1 1 A 60 60 ILE H H 60 8.936 8.978 -0.042 1
1 620 . 18 1 1 A 60 60 ILE HA H 60 4.933 4.252 0.681 1
1 630 . 18 1 1 A 60 60 ILE CA C 60 61.288 60.036 1.252 1
1 631 . 18 1 1 A 60 60 ILE CB C 60 40.912 38.548 2.364 1
1 635 . 18 1 1 A 60 60 ILE N N 60 123.133 124.364 -1.231 1
1 636 . 18 1 1 A 61 61 PHE H H 61 9.629 8.901 0.728 1
1 637 . 18 1 1 A 61 61 PHE HA H 61 5.354 5.217 0.137 1
1 645 . 18 1 1 A 61 61 PHE CA C 61 56.630 57.003 -0.373 1
1 646 . 18 1 1 A 61 61 PHE CB C 61 41.883 40.303 1.580 1
1 647 . 18 1 1 A 61 61 PHE N N 61 128.347 126.560 1.787 1
1 648 . 18 1 1 A 62 62 ILE H H 62 9.070 8.884 0.186 1
1 649 . 18 1 1 A 62 62 ILE HA H 62 4.587 4.572 0.015 1
1 659 . 18 1 1 A 62 62 ILE CA C 62 60.903 60.280 0.623 1
1 660 . 18 1 1 A 62 62 ILE CB C 62 39.789 39.304 0.485 1
1 664 . 18 1 1 A 62 62 ILE N N 62 122.709 123.756 -1.047 1
1 665 . 18 1 1 A 63 63 GLY H H 63 9.303 8.686 0.617 1
1 666 . 18 1 1 A 63 63 GLY HA2 H 63 3.889 3.886 0.003 1
1 667 . 18 1 1 A 63 63 GLY HA3 H 63 4.081 3.887 0.194 1
1 668 . 18 1 1 A 63 63 GLY CA C 63 47.216 47.353 -0.137 1
1 669 . 18 1 1 A 63 63 GLY N N 63 116.351 118.202 -1.851 1
1 670 . 18 1 1 A 64 64 SER H H 64 9.242 8.506 0.736 1
1 671 . 18 1 1 A 64 64 SER HA H 64 4.525 4.550 -0.025 1
1 674 . 18 1 1 A 64 64 SER CA C 64 59.046 58.039 1.007 1
1 675 . 18 1 1 A 64 64 SER CB C 64 63.900 64.131 -0.231 1
1 676 . 18 1 1 A 64 64 SER N N 64 122.307 121.525 0.782 1
1 677 . 18 1 1 A 65 65 VAL H H 65 8.475 7.609 0.866 1
1 678 . 18 1 1 A 65 65 VAL HA H 65 4.013 4.794 -0.781 1
1 686 . 18 1 1 A 65 65 VAL CA C 65 62.737 60.450 2.287 1
1 687 . 18 1 1 A 65 65 VAL CB C 65 33.308 35.688 -2.380 1
1 690 . 18 1 1 A 65 65 VAL N N 65 124.659 121.626 3.033 1
1 691 . 18 1 1 A 66 66 HIS H H 66 8.968 9.014 -0.046 1
1 692 . 18 1 1 A 66 66 HIS HA H 66 4.337 5.291 -0.954 1
1 698 . 18 1 1 A 66 66 HIS CA C 66 54.409 54.627 -0.218 1
1 699 . 18 1 1 A 66 66 HIS CB C 66 31.099 30.508 0.591 1
1 700 . 18 1 1 A 66 66 HIS N N 66 128.172 126.343 1.829 1
1 701 . 18 1 1 A 67 67 VAL H H 67 8.148 8.854 -0.706 1
1 702 . 18 1 1 A 67 67 VAL HA H 67 3.329 3.669 -0.340 1
1 710 . 18 1 1 A 67 67 VAL CA C 67 64.129 65.509 -1.380 1
1 711 . 18 1 1 A 67 67 VAL CB C 67 32.554 32.192 0.362 1
1 714 . 18 1 1 A 67 67 VAL N N 67 130.509 127.461 3.048 1
1 715 . 18 1 1 A 68 68 GLY H H 68 6.365 7.407 -1.042 1
1 716 . 18 1 1 A 68 68 GLY HA2 H 68 3.003 4.038 -1.035 1
1 717 . 18 1 1 A 68 68 GLY HA3 H 68 4.513 4.143 0.370 1
1 718 . 18 1 1 A 68 68 GLY CA C 68 43.722 46.072 -2.350 1
1 719 . 18 1 1 A 68 68 GLY N N 68 102.729 105.830 -3.101 1
1 720 . 18 1 1 A 69 69 GLY H H 69 9.087 8.345 0.742 1
1 721 . 18 1 1 A 69 69 GLY HA2 H 69 3.752 4.163 -0.411 1
1 722 . 18 1 1 A 69 69 GLY HA3 H 69 4.633 4.400 0.233 1
1 723 . 18 1 1 A 69 69 GLY CA C 69 43.851 45.553 -1.702 1
1 724 . 18 1 1 A 69 69 GLY N N 69 110.274 111.583 -1.309 1
1 725 . 18 1 1 A 70 70 CYS H H 70 8.467 8.867 -0.400 1
1 726 . 18 1 1 A 70 70 CYS HA H 70 3.806 4.052 -0.246 1
1 729 . 18 1 1 A 70 70 CYS CA C 70 63.366 62.498 0.868 1
1 730 . 18 1 1 A 70 70 CYS CB C 70 27.642 26.645 0.997 1
1 731 . 18 1 1 A 70 70 CYS N N 70 118.787 120.455 -1.668 1
1 732 . 18 1 1 A 71 71 ASP HA H 71 4.398 4.249 0.149 1
1 735 . 18 1 1 A 71 71 ASP CA C 71 57.405 57.766 -0.361 1
1 736 . 18 1 1 A 71 71 ASP CB C 71 39.058 41.938 -2.880 1
1 737 . 18 1 1 A 72 72 ASP H H 72 7.266 8.076 -0.810 1
1 738 . 18 1 1 A 72 72 ASP HA H 72 4.285 4.408 -0.123 1
1 741 . 18 1 1 A 72 72 ASP CA C 72 57.322 57.377 -0.055 1
1 742 . 18 1 1 A 72 72 ASP CB C 72 41.553 40.746 0.807 1
1 743 . 18 1 1 A 72 72 ASP N N 72 119.650 119.578 0.072 1
1 744 . 18 1 1 A 73 73 LEU H H 73 7.755 8.461 -0.706 1
1 745 . 18 1 1 A 73 73 LEU HA H 73 3.736 4.070 -0.334 1
1 755 . 18 1 1 A 73 73 LEU CA C 73 58.272 58.081 0.191 1
1 756 . 18 1 1 A 73 73 LEU CB C 73 41.995 41.763 0.232 1
1 760 . 18 1 1 A 73 73 LEU N N 73 121.526 121.509 0.017 1
1 761 . 18 1 1 A 74 74 TYR H H 74 8.244 8.646 -0.402 1
1 762 . 18 1 1 A 74 74 TYR HA H 74 3.697 4.113 -0.416 1
1 769 . 18 1 1 A 74 74 TYR CA C 74 62.802 61.570 1.232 1
1 770 . 18 1 1 A 74 74 TYR CB C 74 37.819 37.394 0.425 1
1 771 . 18 1 1 A 74 74 TYR N N 74 116.552 117.719 -1.167 1
1 772 . 18 1 1 A 75 75 ALA H H 75 8.169 8.231 -0.062 1
1 773 . 18 1 1 A 75 75 ALA HA H 75 4.286 4.164 0.122 1
1 777 . 18 1 1 A 75 75 ALA CA C 75 55.465 54.977 0.488 1
1 778 . 18 1 1 A 75 75 ALA CB C 75 17.722 18.547 -0.825 1
1 779 . 18 1 1 A 75 75 ALA N N 75 122.825 122.744 0.081 1
1 780 . 18 1 1 A 76 76 LEU H H 76 7.353 8.458 -1.105 1
1 781 . 18 1 1 A 76 76 LEU HA H 76 4.003 4.064 -0.061 1
1 791 . 18 1 1 A 76 76 LEU CA C 76 57.687 57.856 -0.169 1
1 792 . 18 1 1 A 76 76 LEU CB C 76 42.753 41.609 1.144 1
1 796 . 18 1 1 A 76 76 LEU N N 76 116.756 120.601 -3.845 1
1 797 . 18 1 1 A 77 77 GLU H H 77 7.420 8.389 -0.969 1
1 798 . 18 1 1 A 77 77 GLU HA H 77 4.575 4.050 0.525 1
1 803 . 18 1 1 A 77 77 GLU CA C 77 57.962 58.758 -0.796 1
1 804 . 18 1 1 A 77 77 GLU CB C 77 28.292 28.508 -0.216 1
1 806 . 18 1 1 A 77 77 GLU N N 77 121.356 117.729 3.627 1
1 807 . 18 1 1 A 78 78 ASP H H 78 8.637 7.661 0.976 1
1 808 . 18 1 1 A 78 78 ASP HA H 78 4.399 4.394 0.005 1
1 811 . 18 1 1 A 78 78 ASP CA C 78 57.569 56.642 0.927 1
1 812 . 18 1 1 A 78 78 ASP CB C 78 40.715 40.963 -0.248 1
1 813 . 18 1 1 A 78 78 ASP N N 78 123.396 120.809 2.587 1
1 814 . 18 1 1 A 79 79 GLU H H 79 7.773 8.124 -0.351 1
1 815 . 18 1 1 A 79 79 GLU HA H 79 4.283 4.406 -0.123 1
1 820 . 18 1 1 A 79 79 GLU CA C 79 56.357 56.110 0.247 1
1 821 . 18 1 1 A 79 79 GLU CB C 79 30.855 30.982 -0.127 1
1 823 . 18 1 1 A 79 79 GLU N N 79 115.336 116.183 -0.847 1
1 824 . 18 1 1 A 80 80 GLY H H 80 8.050 7.980 0.070 1
1 825 . 18 1 1 A 80 80 GLY HA2 H 80 4.031 3.974 0.057 1
1 826 . 18 1 1 A 80 80 GLY HA3 H 80 4.031 3.976 0.055 1
1 827 . 18 1 1 A 80 80 GLY CA C 80 46.314 46.147 0.167 1
1 828 . 18 1 1 A 80 80 GLY N N 80 108.957 108.452 0.505 1
1 829 . 18 1 1 A 81 81 LYS H H 81 8.188 7.629 0.559 1
1 830 . 18 1 1 A 81 81 LYS HA H 81 4.415 4.335 0.080 1
1 839 . 18 1 1 A 81 81 LYS CA C 81 56.716 56.704 0.012 1
1 840 . 18 1 1 A 81 81 LYS CB C 81 35.935 32.900 3.035 1
1 844 . 18 1 1 A 81 81 LYS N N 81 116.879 118.236 -1.357 1
1 845 . 18 1 1 A 82 82 LEU H H 82 7.499 7.723 -0.224 1
1 846 . 18 1 1 A 82 82 LEU HA H 82 3.977 3.967 0.010 1
1 856 . 18 1 1 A 82 82 LEU CA C 82 57.480 58.033 -0.553 1
1 857 . 18 1 1 A 82 82 LEU CB C 82 40.489 41.334 -0.845 1
1 861 . 18 1 1 A 82 82 LEU N N 82 122.734 119.749 2.985 1
1 862 . 18 1 1 A 83 83 ASP H H 83 8.625 8.226 0.399 1
1 863 . 18 1 1 A 83 83 ASP HA H 83 4.248 4.317 -0.069 1
1 866 . 18 1 1 A 83 83 ASP CA C 83 58.680 57.883 0.797 1
1 867 . 18 1 1 A 83 83 ASP CB C 83 40.149 41.988 -1.839 1
1 868 . 18 1 1 A 83 83 ASP N N 83 119.728 120.300 -0.572 1
1 869 . 18 1 1 A 84 84 SER H H 84 8.426 7.846 0.580 1
1 870 . 18 1 1 A 84 84 SER HA H 84 4.219 4.315 -0.096 1
1 873 . 18 1 1 A 84 84 SER CA C 84 61.473 61.746 -0.273 1
1 874 . 18 1 1 A 84 84 SER CB C 84 62.589 63.206 -0.617 1
1 875 . 18 1 1 A 84 84 SER N N 84 113.454 116.124 -2.670 1
1 876 . 18 1 1 A 85 85 LEU H H 85 7.551 8.047 -0.496 1
1 877 . 18 1 1 A 85 85 LEU HA H 85 4.319 4.070 0.249 1
1 887 . 18 1 1 A 85 85 LEU CA C 85 58.355 57.926 0.429 1
1 888 . 18 1 1 A 85 85 LEU CB C 85 41.588 41.701 -0.113 1
1 892 . 18 1 1 A 85 85 LEU N N 85 126.500 121.990 4.510 1
1 893 . 18 1 1 A 86 86 LEU H H 86 8.382 7.875 0.507 1
1 894 . 18 1 1 A 86 86 LEU HA H 86 3.827 4.085 -0.258 1
1 904 . 18 1 1 A 86 86 LEU CA C 86 57.826 57.602 0.224 1
1 905 . 18 1 1 A 86 86 LEU CB C 86 41.840 41.379 0.461 1
1 909 . 18 1 1 A 86 86 LEU N N 86 117.962 117.474 0.488 1
1 910 . 18 1 1 A 87 87 LYS H H 87 7.522 7.869 -0.347 1
1 911 . 18 1 1 A 87 87 LYS HA H 87 4.331 4.046 0.285 1
1 920 . 18 1 1 A 87 87 LYS CA C 87 58.325 59.448 -1.123 1
1 921 . 18 1 1 A 87 87 LYS CB C 87 34.043 32.675 1.368 1
1 925 . 18 1 1 A 87 87 LYS N N 87 114.198 118.720 -4.522 1
1 926 . 18 1 1 A 88 88 THR H H 88 8.165 8.240 -0.075 1
1 927 . 18 1 1 A 88 88 THR HA H 88 4.507 4.431 0.076 1
1 932 . 18 1 1 A 88 88 THR CA C 88 62.385 62.552 -0.167 1
1 933 . 18 1 1 A 88 88 THR CB C 88 72.525 70.517 2.008 1
1 935 . 18 1 1 A 88 88 THR N N 88 106.021 108.150 -2.129 1
1 936 . 18 1 1 A 89 89 GLY H H 89 9.139 9.068 0.071 1
1 937 . 18 1 1 A 89 89 GLY HA2 H 89 3.612 3.890 -0.278 1
1 938 . 18 1 1 A 89 89 GLY HA3 H 89 4.204 3.897 0.307 1
1 939 . 18 1 1 A 89 89 GLY CA C 89 46.770 45.709 1.061 1
1 940 . 18 1 1 A 89 89 GLY N N 89 112.926 112.336 0.590 1
1 941 . 18 1 1 A 90 90 LYS H H 90 7.933 7.168 0.765 1
1 942 . 18 1 1 A 90 90 LYS HA H 90 4.459 4.704 -0.245 1
1 951 . 18 1 1 A 90 90 LYS CA C 90 54.576 54.965 -0.389 1
1 952 . 18 1 1 A 90 90 LYS CB C 90 35.788 34.406 1.382 1
1 956 . 18 1 1 A 90 90 LYS N N 90 117.810 115.309 2.501 1
1 957 . 18 1 1 A 91 91 LEU H H 91 8.487 8.925 -0.438 1
1 958 . 18 1 1 A 91 91 LEU HA H 91 4.423 4.741 -0.318 1
1 968 . 18 1 1 A 91 91 LEU CA C 91 54.491 54.013 0.478 1
1 969 . 18 1 1 A 91 91 LEU CB C 91 43.083 41.845 1.238 1
1 973 . 18 1 1 A 91 91 LEU N N 91 123.364 122.040 1.324 1
1 1 . 19 1 1 A 2 2 PRO HA H 2 4.444 4.562 -0.118 1
1 8 . 19 1 1 A 2 2 PRO CA C 2 63.468 62.444 1.024 1
1 9 . 19 1 1 A 2 2 PRO CB C 2 32.153 32.932 -0.779 1
1 12 . 19 1 1 A 3 3 GLY H H 3 8.672 8.404 0.268 1
1 13 . 19 1 1 A 3 3 GLY HA2 H 3 4.759 4.066 0.693 1
1 14 . 19 1 1 A 3 3 GLY HA3 H 3 4.759 4.067 0.692 1
1 15 . 19 1 1 A 3 3 GLY CA C 3 45.323 44.807 0.516 1
1 16 . 19 1 1 A 3 3 GLY N N 3 110.465 108.880 1.585 1
1 17 . 19 1 1 A 4 4 SER H H 4 8.201 8.824 -0.623 1
1 18 . 19 1 1 A 4 4 SER HA H 4 4.454 4.701 -0.247 1
1 21 . 19 1 1 A 4 4 SER CA C 4 58.370 57.329 1.041 1
1 22 . 19 1 1 A 4 4 SER CB C 4 64.049 63.976 0.073 1
1 23 . 19 1 1 A 4 4 SER N N 4 115.747 115.926 -0.179 1
1 24 . 19 1 1 A 5 5 MET H H 5 8.315 7.598 0.717 1
1 25 . 19 1 1 A 5 5 MET HA H 5 4.675 4.766 -0.091 1
1 30 . 19 1 1 A 5 5 MET CA C 5 55.466 54.758 0.708 1
1 31 . 19 1 1 A 5 5 MET CB C 5 34.462 35.636 -1.174 1
1 33 . 19 1 1 A 5 5 MET N N 5 121.679 120.217 1.462 1
1 34 . 19 1 1 A 6 6 VAL H H 6 8.169 8.764 -0.595 1
1 35 . 19 1 1 A 6 6 VAL HA H 6 4.141 4.846 -0.705 1
1 43 . 19 1 1 A 6 6 VAL CA C 6 61.395 58.938 2.457 1
1 44 . 19 1 1 A 6 6 VAL CB C 6 32.669 35.830 -3.161 1
1 47 . 19 1 1 A 6 6 VAL N N 6 118.330 118.024 0.306 1
1 48 . 19 1 1 A 7 7 ASP H H 7 8.335 8.639 -0.304 1
1 49 . 19 1 1 A 7 7 ASP HA H 7 4.526 4.836 -0.310 1
1 52 . 19 1 1 A 7 7 ASP CA C 7 55.023 54.693 0.330 1
1 53 . 19 1 1 A 7 7 ASP CB C 7 41.455 41.723 -0.268 1
1 54 . 19 1 1 A 7 7 ASP N N 7 122.032 123.696 -1.664 1
1 55 . 19 1 1 A 8 8 VAL H H 8 8.662 9.072 -0.410 1
1 56 . 19 1 1 A 8 8 VAL HA H 8 4.947 4.970 -0.023 1
1 64 . 19 1 1 A 8 8 VAL CA C 8 61.415 61.505 -0.090 1
1 65 . 19 1 1 A 8 8 VAL CB C 8 33.703 33.704 -0.001 1
1 68 . 19 1 1 A 8 8 VAL N N 8 124.216 126.545 -2.329 1
1 69 . 19 1 1 A 9 9 ILE H H 9 9.311 9.181 0.130 1
1 70 . 19 1 1 A 9 9 ILE HA H 9 4.963 5.072 -0.109 1
1 80 . 19 1 1 A 9 9 ILE CA C 9 59.648 59.969 -0.321 1
1 81 . 19 1 1 A 9 9 ILE CB C 9 41.374 42.623 -1.249 1
1 85 . 19 1 1 A 9 9 ILE N N 9 129.869 126.813 3.056 1
1 86 . 19 1 1 A 10 10 ILE H H 10 8.720 9.550 -0.830 1
1 87 . 19 1 1 A 10 10 ILE HA H 10 5.442 5.399 0.043 1
1 97 . 19 1 1 A 10 10 ILE CA C 10 58.153 58.414 -0.261 1
1 98 . 19 1 1 A 10 10 ILE CB C 10 41.947 41.086 0.861 1
1 102 . 19 1 1 A 10 10 ILE N N 10 123.598 128.678 -5.080 1
1 103 . 19 1 1 A 11 11 TYR H H 11 9.340 8.881 0.459 1
1 104 . 19 1 1 A 11 11 TYR HA H 11 5.667 5.596 0.071 1
1 111 . 19 1 1 A 11 11 TYR CA C 11 57.300 56.393 0.907 1
1 112 . 19 1 1 A 11 11 TYR CB C 11 40.550 40.187 0.363 1
1 113 . 19 1 1 A 11 11 TYR N N 11 128.888 127.995 0.893 1
1 114 . 19 1 1 A 12 12 THR H H 12 9.374 8.696 0.678 1
1 115 . 19 1 1 A 12 12 THR HA H 12 5.277 4.901 0.376 1
1 120 . 19 1 1 A 12 12 THR CA C 12 59.567 59.843 -0.276 1
1 121 . 19 1 1 A 12 12 THR CB C 12 72.183 72.015 0.168 1
1 123 . 19 1 1 A 12 12 THR N N 12 112.083 117.674 -5.591 1
1 124 . 19 1 1 A 13 13 ARG H H 13 7.379 8.657 -1.278 1
1 125 . 19 1 1 A 13 13 ARG HA H 13 4.779 4.753 0.026 1
1 132 . 19 1 1 A 13 13 ARG CA C 13 52.961 53.830 -0.869 1
1 133 . 19 1 1 A 13 13 ARG CB C 13 31.374 31.528 -0.154 1
1 136 . 19 1 1 A 13 13 ARG N N 13 113.131 123.913 -10.782 1
1 137 . 19 1 1 A 14 14 PRO HA H 14 4.276 4.265 0.011 1
1 144 . 19 1 1 A 14 14 PRO CA C 14 63.498 63.730 -0.232 1
1 145 . 19 1 1 A 14 14 PRO CB C 14 32.015 31.251 0.764 1
1 148 . 19 1 1 A 15 15 GLY H H 15 8.672 8.840 -0.168 1
1 149 . 19 1 1 A 15 15 GLY HA2 H 15 3.946 3.869 0.077 1
1 150 . 19 1 1 A 15 15 GLY HA3 H 15 3.946 3.873 0.073 1
1 151 . 19 1 1 A 15 15 GLY N N 15 110.274 112.280 -2.006 1
1 152 . 19 1 1 A 16 16 CYS H H 16 6.985 7.485 -0.500 1
1 153 . 19 1 1 A 16 16 CYS HA H 16 4.769 4.660 0.109 1
1 156 . 19 1 1 A 16 16 CYS CA C 16 56.315 55.809 0.506 1
1 157 . 19 1 1 A 16 16 CYS CB C 16 31.724 28.989 2.735 1
1 158 . 19 1 1 A 16 16 CYS N N 16 124.357 119.759 4.598 1
1 159 . 19 1 1 A 17 17 PRO HA H 17 4.417 4.267 0.150 1
1 166 . 19 1 1 A 17 17 PRO CA C 17 64.516 65.541 -1.025 1
1 167 . 19 1 1 A 17 17 PRO CB C 17 32.205 31.560 0.645 1
1 170 . 19 1 1 A 18 18 TYR H H 18 9.273 7.412 1.861 1
1 171 . 19 1 1 A 18 18 TYR HA H 18 4.375 4.231 0.144 1
1 178 . 19 1 1 A 18 18 TYR CA C 18 61.227 61.527 -0.300 1
1 179 . 19 1 1 A 18 18 TYR CB C 18 38.025 37.778 0.247 1
1 180 . 19 1 1 A 18 18 TYR N N 18 127.619 117.611 10.008 1
1 181 . 19 1 1 A 19 19 CYS H H 19 9.854 8.306 1.548 1
1 182 . 19 1 1 A 19 19 CYS HA H 19 3.870 4.107 -0.237 1
1 185 . 19 1 1 A 19 19 CYS CA C 19 64.810 63.153 1.657 1
1 186 . 19 1 1 A 19 19 CYS CB C 19 29.498 27.063 2.435 1
1 187 . 19 1 1 A 19 19 CYS N N 19 128.016 119.061 8.955 1
1 188 . 19 1 1 A 20 20 ALA H H 20 7.948 8.034 -0.086 1
1 189 . 19 1 1 A 20 20 ALA HA H 20 3.995 3.973 0.022 1
1 193 . 19 1 1 A 20 20 ALA CA C 20 55.804 55.536 0.268 1
1 194 . 19 1 1 A 20 20 ALA CB C 20 18.201 18.401 -0.200 1
1 195 . 19 1 1 A 20 20 ALA N N 20 121.373 122.067 -0.694 1
1 196 . 19 1 1 A 21 21 ARG H H 21 8.064 7.723 0.341 1
1 197 . 19 1 1 A 21 21 ARG HA H 21 4.159 4.136 0.023 1
1 204 . 19 1 1 A 21 21 ARG CA C 21 59.500 59.737 -0.237 1
1 205 . 19 1 1 A 21 21 ARG CB C 21 30.535 30.264 0.271 1
1 208 . 19 1 1 A 21 21 ARG N N 21 119.886 117.862 2.024 1
1 209 . 19 1 1 A 22 22 ALA H H 22 8.342 7.720 0.622 1
1 210 . 19 1 1 A 22 22 ALA HA H 22 4.174 4.135 0.039 1
1 214 . 19 1 1 A 22 22 ALA CA C 22 55.658 55.228 0.430 1
1 215 . 19 1 1 A 22 22 ALA CB C 22 19.485 18.129 1.356 1
1 216 . 19 1 1 A 22 22 ALA N N 22 125.852 121.609 4.243 1
1 217 . 19 1 1 A 23 23 LYS H H 23 7.968 8.063 -0.095 1
1 218 . 19 1 1 A 23 23 LYS HA H 23 3.243 3.793 -0.550 1
1 227 . 19 1 1 A 23 23 LYS CA C 23 60.699 59.285 1.414 1
1 228 . 19 1 1 A 23 23 LYS CB C 23 31.640 32.401 -0.761 1
1 232 . 19 1 1 A 23 23 LYS N N 23 116.539 116.878 -0.339 1
1 233 . 19 1 1 A 24 24 ALA H H 24 8.027 8.564 -0.537 1
1 234 . 19 1 1 A 24 24 ALA HA H 24 4.152 4.187 -0.035 1
1 238 . 19 1 1 A 24 24 ALA CA C 24 55.067 55.023 0.044 1
1 239 . 19 1 1 A 24 24 ALA CB C 24 18.039 18.358 -0.319 1
1 240 . 19 1 1 A 24 24 ALA N N 24 120.099 122.188 -2.089 1
1 241 . 19 1 1 A 25 25 LEU H H 25 7.184 8.211 -1.027 1
1 242 . 19 1 1 A 25 25 LEU HA H 25 4.089 4.084 0.005 1
1 252 . 19 1 1 A 25 25 LEU CA C 25 57.761 57.453 0.308 1
1 253 . 19 1 1 A 25 25 LEU CB C 25 40.444 41.666 -1.222 1
1 257 . 19 1 1 A 25 25 LEU N N 25 119.676 120.038 -0.362 1
1 258 . 19 1 1 A 26 26 LEU H H 26 7.477 8.209 -0.732 1
1 259 . 19 1 1 A 26 26 LEU HA H 26 3.701 4.298 -0.597 1
1 269 . 19 1 1 A 26 26 LEU CA C 26 58.523 57.506 1.017 1
1 270 . 19 1 1 A 26 26 LEU CB C 26 41.105 40.831 0.274 1
1 274 . 19 1 1 A 26 26 LEU N N 26 117.225 118.713 -1.488 1
1 275 . 19 1 1 A 27 27 ALA H H 27 8.657 8.089 0.568 1
1 276 . 19 1 1 A 27 27 ALA HA H 27 4.368 4.157 0.211 1
1 280 . 19 1 1 A 27 27 ALA CA C 27 55.066 54.997 0.069 1
1 281 . 19 1 1 A 27 27 ALA CB C 27 18.137 18.215 -0.078 1
1 282 . 19 1 1 A 27 27 ALA N N 27 119.692 122.359 -2.667 1
1 283 . 19 1 1 A 28 28 ARG H H 28 8.048 8.099 -0.051 1
1 284 . 19 1 1 A 28 28 ARG HA H 28 4.110 4.086 0.024 1
1 291 . 19 1 1 A 28 28 ARG CA C 28 59.249 58.784 0.465 1
1 292 . 19 1 1 A 28 28 ARG CB C 28 29.962 29.606 0.356 1
1 295 . 19 1 1 A 28 28 ARG N N 28 121.433 119.712 1.721 1
1 296 . 19 1 1 A 29 29 LYS H H 29 7.660 7.768 -0.108 1
1 297 . 19 1 1 A 29 29 LYS HA H 29 4.192 4.305 -0.113 1
1 306 . 19 1 1 A 29 29 LYS CA C 29 54.864 55.301 -0.437 1
1 307 . 19 1 1 A 29 29 LYS CB C 29 31.476 32.081 -0.605 1
1 311 . 19 1 1 A 29 29 LYS N N 29 115.942 114.301 1.641 1
1 312 . 19 1 1 A 30 30 GLY H H 30 7.919 8.294 -0.375 1
1 313 . 19 1 1 A 30 30 GLY HA2 H 30 3.734 3.952 -0.218 1
1 314 . 19 1 1 A 30 30 GLY HA3 H 30 4.013 3.959 0.054 1
1 315 . 19 1 1 A 30 30 GLY CA C 30 45.497 45.063 0.434 1
1 316 . 19 1 1 A 30 30 GLY N N 30 107.837 108.847 -1.010 1
1 317 . 19 1 1 A 31 31 ALA H H 31 7.830 7.593 0.237 1
1 318 . 19 1 1 A 31 31 ALA HA H 31 4.446 4.309 0.137 1
1 322 . 19 1 1 A 31 31 ALA CA C 31 51.562 52.662 -1.100 1
1 323 . 19 1 1 A 31 31 ALA CB C 31 19.964 19.371 0.593 1
1 324 . 19 1 1 A 31 31 ALA N N 31 122.333 124.185 -1.852 1
1 325 . 19 1 1 A 32 32 GLU H H 32 8.322 8.738 -0.416 1
1 326 . 19 1 1 A 32 32 GLU HA H 32 4.173 4.503 -0.330 1
1 331 . 19 1 1 A 32 32 GLU CA C 32 55.621 55.927 -0.306 1
1 332 . 19 1 1 A 32 32 GLU CB C 32 29.734 31.022 -1.288 1
1 334 . 19 1 1 A 32 32 GLU N N 32 124.383 123.972 0.411 1
1 335 . 19 1 1 A 33 33 PHE H H 33 7.623 8.423 -0.800 1
1 336 . 19 1 1 A 33 33 PHE HA H 33 5.151 5.258 -0.107 1
1 344 . 19 1 1 A 33 33 PHE CA C 33 55.106 55.979 -0.873 1
1 345 . 19 1 1 A 33 33 PHE CB C 33 41.937 41.389 0.548 1
1 346 . 19 1 1 A 33 33 PHE N N 33 116.953 118.307 -1.354 1
1 347 . 19 1 1 A 34 34 ASN H H 34 8.938 9.363 -0.425 1
1 348 . 19 1 1 A 34 34 ASN HA H 34 4.897 5.087 -0.190 1
1 353 . 19 1 1 A 34 34 ASN CA C 34 52.081 52.641 -0.560 1
1 354 . 19 1 1 A 34 34 ASN CB C 34 39.784 40.206 -0.422 1
1 355 . 19 1 1 A 34 34 ASN N N 34 120.410 119.680 0.730 1
1 357 . 19 1 1 A 35 35 GLU H H 35 8.764 9.017 -0.253 1
1 358 . 19 1 1 A 35 35 GLU HA H 35 5.135 4.933 0.202 1
1 363 . 19 1 1 A 35 35 GLU CA C 35 54.519 56.035 -1.516 1
1 364 . 19 1 1 A 35 35 GLU CB C 35 31.306 30.596 0.710 1
1 366 . 19 1 1 A 35 35 GLU N N 35 126.769 127.550 -0.781 1
1 367 . 19 1 1 A 36 36 ILE H H 36 8.975 8.567 0.408 1
1 368 . 19 1 1 A 36 36 ILE HA H 36 4.108 4.736 -0.628 1
1 378 . 19 1 1 A 36 36 ILE CA C 36 60.156 58.992 1.164 1
1 379 . 19 1 1 A 36 36 ILE CB C 36 40.382 42.028 -1.646 1
1 383 . 19 1 1 A 36 36 ILE N N 36 130.393 127.190 3.203 1
1 384 . 19 1 1 A 37 37 ASP H H 37 8.494 8.614 -0.120 1
1 385 . 19 1 1 A 37 37 ASP HA H 37 4.965 5.114 -0.149 1
1 388 . 19 1 1 A 37 37 ASP CA C 37 52.537 52.679 -0.142 1
1 389 . 19 1 1 A 37 37 ASP CB C 37 39.350 42.968 -3.618 1
1 390 . 19 1 1 A 37 37 ASP N N 37 125.910 124.572 1.338 1
1 391 . 19 1 1 A 38 38 ALA H H 38 8.764 8.023 0.741 1
1 392 . 19 1 1 A 38 38 ALA HA H 38 4.621 4.235 0.386 1
1 396 . 19 1 1 A 38 38 ALA CA C 38 51.729 52.857 -1.128 1
1 397 . 19 1 1 A 38 38 ALA CB C 38 20.588 20.755 -0.167 1
1 398 . 19 1 1 A 38 38 ALA N N 38 130.164 123.906 6.258 1
1 399 . 19 1 1 A 39 39 SER H H 39 8.668 7.962 0.706 1
1 400 . 19 1 1 A 39 39 SER HA H 39 4.469 4.224 0.245 1
1 403 . 19 1 1 A 39 39 SER CA C 39 59.342 61.287 -1.945 1
1 404 . 19 1 1 A 39 39 SER CB C 39 64.938 63.072 1.866 1
1 405 . 19 1 1 A 39 39 SER N N 39 111.397 114.213 -2.816 1
1 406 . 19 1 1 A 40 40 ALA H H 40 7.466 7.763 -0.297 1
1 407 . 19 1 1 A 40 40 ALA HA H 40 4.136 4.101 0.035 1
1 411 . 19 1 1 A 40 40 ALA CA C 40 55.000 54.984 0.016 1
1 412 . 19 1 1 A 40 40 ALA CB C 40 20.463 18.867 1.596 1
1 413 . 19 1 1 A 40 40 ALA N N 40 124.335 122.080 2.255 1
1 414 . 19 1 1 A 41 41 THR H H 41 7.098 7.383 -0.285 1
1 415 . 19 1 1 A 41 41 THR HA H 41 4.978 4.884 0.094 1
1 420 . 19 1 1 A 41 41 THR CA C 41 57.841 58.751 -0.910 1
1 421 . 19 1 1 A 41 41 THR CB C 41 70.742 71.034 -0.292 1
1 423 . 19 1 1 A 41 41 THR N N 41 105.166 107.528 -2.362 1
1 424 . 19 1 1 A 42 42 PRO HA H 42 4.299 4.342 -0.043 1
1 431 . 19 1 1 A 42 42 PRO CA C 42 64.586 65.354 -0.768 1
1 432 . 19 1 1 A 42 42 PRO CB C 42 31.963 31.947 0.016 1
1 435 . 19 1 1 A 43 43 GLU H H 43 8.997 8.137 0.860 1
1 436 . 19 1 1 A 43 43 GLU HA H 43 4.052 4.103 -0.051 1
1 441 . 19 1 1 A 43 43 GLU CA C 43 60.694 59.670 1.024 1
1 442 . 19 1 1 A 43 43 GLU CB C 43 28.709 29.675 -0.966 1
1 444 . 19 1 1 A 43 43 GLU N N 43 118.804 118.152 0.652 1
1 445 . 19 1 1 A 44 44 LEU H H 44 7.882 8.498 -0.616 1
1 446 . 19 1 1 A 44 44 LEU HA H 44 4.285 4.100 0.185 1
1 456 . 19 1 1 A 44 44 LEU CA C 44 57.573 57.767 -0.194 1
1 457 . 19 1 1 A 44 44 LEU CB C 44 42.548 41.168 1.380 1
1 461 . 19 1 1 A 44 44 LEU N N 44 122.381 120.075 2.306 1
1 462 . 19 1 1 A 45 45 ARG H H 45 7.709 7.639 0.070 1
1 463 . 19 1 1 A 45 45 ARG HA H 45 4.026 4.142 -0.116 1
1 470 . 19 1 1 A 45 45 ARG CA C 45 60.055 58.923 1.132 1
1 471 . 19 1 1 A 45 45 ARG CB C 45 29.943 29.564 0.379 1
1 474 . 19 1 1 A 45 45 ARG N N 45 122.487 121.439 1.048 1
1 475 . 19 1 1 A 46 46 ALA H H 46 8.144 8.065 0.079 1
1 476 . 19 1 1 A 46 46 ALA HA H 46 4.074 4.222 -0.148 1
1 480 . 19 1 1 A 46 46 ALA CA C 46 54.865 55.486 -0.621 1
1 481 . 19 1 1 A 46 46 ALA CB C 46 17.777 18.333 -0.556 1
1 482 . 19 1 1 A 46 46 ALA N N 46 121.132 122.231 -1.099 1
1 483 . 19 1 1 A 47 47 GLU H H 47 7.902 8.061 -0.159 1
1 484 . 19 1 1 A 47 47 GLU HA H 47 3.995 4.083 -0.088 1
1 489 . 19 1 1 A 47 47 GLU CA C 47 59.524 59.386 0.138 1
1 490 . 19 1 1 A 47 47 GLU CB C 47 29.915 28.817 1.098 1
1 492 . 19 1 1 A 47 47 GLU N N 47 121.104 116.877 4.227 1
1 493 . 19 1 1 A 48 48 MET H H 48 7.984 7.692 0.292 1
1 494 . 19 1 1 A 48 48 MET HA H 48 2.786 4.294 -1.508 1
1 499 . 19 1 1 A 48 48 MET CA C 48 59.662 58.371 1.291 1
1 500 . 19 1 1 A 48 48 MET CB C 48 33.701 32.474 1.227 1
1 502 . 19 1 1 A 48 48 MET N N 48 118.769 120.363 -1.594 1
1 503 . 19 1 1 A 49 49 GLN H H 49 8.209 8.571 -0.362 1
1 504 . 19 1 1 A 49 49 GLN HA H 49 4.299 4.273 0.026 1
1 511 . 19 1 1 A 49 49 GLN CA C 49 58.669 57.728 0.941 1
1 512 . 19 1 1 A 49 49 GLN CB C 49 28.742 27.757 0.985 1
1 514 . 19 1 1 A 49 49 GLN N N 49 122.155 117.429 4.726 1
1 516 . 19 1 1 A 50 50 GLU H H 50 8.671 7.995 0.676 1
1 517 . 19 1 1 A 50 50 GLU HA H 50 3.904 4.078 -0.174 1
1 522 . 19 1 1 A 50 50 GLU CA C 50 59.156 59.242 -0.086 1
1 523 . 19 1 1 A 50 50 GLU CB C 50 29.504 29.413 0.091 1
1 525 . 19 1 1 A 50 50 GLU N N 50 122.081 120.565 1.516 1
1 526 . 19 1 1 A 51 51 ARG H H 51 8.244 7.840 0.404 1
1 527 . 19 1 1 A 51 51 ARG HA H 51 3.993 4.079 -0.086 1
1 534 . 19 1 1 A 51 51 ARG CA C 51 58.503 59.229 -0.726 1
1 535 . 19 1 1 A 51 51 ARG CB C 51 31.363 30.244 1.119 1
1 538 . 19 1 1 A 51 51 ARG N N 51 115.848 119.585 -3.737 1
1 539 . 19 1 1 A 52 52 SER H H 52 7.994 7.585 0.409 1
1 540 . 19 1 1 A 52 52 SER HA H 52 3.674 4.204 -0.530 1
1 543 . 19 1 1 A 52 52 SER CA C 52 58.897 59.207 -0.310 1
1 544 . 19 1 1 A 52 52 SER CB C 52 66.908 64.240 2.668 1
1 545 . 19 1 1 A 52 52 SER N N 52 109.721 112.056 -2.335 1
1 546 . 19 1 1 A 53 53 GLY H H 53 8.205 9.033 -0.828 1
1 547 . 19 1 1 A 53 53 GLY HA2 H 53 3.815 3.847 -0.032 1
1 548 . 19 1 1 A 53 53 GLY HA3 H 53 4.063 3.875 0.188 1
1 549 . 19 1 1 A 53 53 GLY CA C 53 46.182 45.643 0.539 1
1 550 . 19 1 1 A 53 53 GLY N N 53 112.716 111.502 1.214 1
1 551 . 19 1 1 A 54 54 ARG H H 54 8.323 7.674 0.649 1
1 552 . 19 1 1 A 54 54 ARG HA H 54 4.595 4.846 -0.251 1
1 559 . 19 1 1 A 54 54 ARG CA C 54 54.426 53.875 0.551 1
1 560 . 19 1 1 A 54 54 ARG CB C 54 35.418 34.019 1.399 1
1 563 . 19 1 1 A 54 54 ARG N N 54 119.629 119.913 -0.284 1
1 564 . 19 1 1 A 55 55 ASN H H 55 8.184 8.500 -0.316 1
1 565 . 19 1 1 A 55 55 ASN HA H 55 4.692 4.435 0.257 1
1 570 . 19 1 1 A 55 55 ASN CA C 55 51.458 56.535 -5.077 1
1 571 . 19 1 1 A 55 55 ASN N N 55 112.763 119.094 -6.331 1
1 573 . 19 1 1 A 56 56 THR H H 56 6.730 7.688 -0.958 1
1 574 . 19 1 1 A 56 56 THR HA H 56 4.309 4.938 -0.629 1
1 579 . 19 1 1 A 56 56 THR CA C 56 59.120 61.317 -2.197 1
1 580 . 19 1 1 A 56 56 THR CB C 56 70.754 72.155 -1.401 1
1 582 . 19 1 1 A 56 56 THR N N 56 107.946 109.890 -1.944 1
1 583 . 19 1 1 A 57 57 PHE H H 57 8.568 9.064 -0.496 1
1 584 . 19 1 1 A 57 57 PHE HA H 57 4.641 5.153 -0.512 1
1 592 . 19 1 1 A 57 57 PHE CA C 57 54.923 55.358 -0.435 1
1 593 . 19 1 1 A 57 57 PHE CB C 57 41.272 40.608 0.664 1
1 594 . 19 1 1 A 57 57 PHE N N 57 117.566 121.882 -4.316 1
1 595 . 19 1 1 A 58 58 PRO HA H 58 5.604 4.709 0.895 1
1 602 . 19 1 1 A 58 58 PRO CA C 58 62.749 62.707 0.042 1
1 603 . 19 1 1 A 58 58 PRO CB C 58 36.563 31.911 4.652 1
1 606 . 19 1 1 A 59 59 GLN H H 59 7.926 8.424 -0.498 1
1 607 . 19 1 1 A 59 59 GLN HA H 59 4.813 4.762 0.051 1
1 614 . 19 1 1 A 59 59 GLN CA C 59 55.111 54.773 0.338 1
1 615 . 19 1 1 A 59 59 GLN CB C 59 31.737 30.947 0.790 1
1 617 . 19 1 1 A 59 59 GLN N N 59 112.301 121.094 -8.793 1
1 619 . 19 1 1 A 60 60 ILE H H 60 8.936 8.856 0.080 1
1 620 . 19 1 1 A 60 60 ILE HA H 60 4.933 4.230 0.703 1
1 630 . 19 1 1 A 60 60 ILE CA C 60 61.288 60.035 1.253 1
1 631 . 19 1 1 A 60 60 ILE CB C 60 40.912 38.661 2.251 1
1 635 . 19 1 1 A 60 60 ILE N N 60 123.133 124.195 -1.062 1
1 636 . 19 1 1 A 61 61 PHE H H 61 9.629 8.906 0.723 1
1 637 . 19 1 1 A 61 61 PHE HA H 61 5.354 5.194 0.160 1
1 645 . 19 1 1 A 61 61 PHE CA C 61 56.630 57.116 -0.486 1
1 646 . 19 1 1 A 61 61 PHE CB C 61 41.883 40.287 1.596 1
1 647 . 19 1 1 A 61 61 PHE N N 61 128.347 126.975 1.372 1
1 648 . 19 1 1 A 62 62 ILE H H 62 9.070 8.812 0.258 1
1 649 . 19 1 1 A 62 62 ILE HA H 62 4.587 4.566 0.021 1
1 659 . 19 1 1 A 62 62 ILE CA C 62 60.903 60.283 0.620 1
1 660 . 19 1 1 A 62 62 ILE CB C 62 39.789 39.221 0.568 1
1 664 . 19 1 1 A 62 62 ILE N N 62 122.709 123.769 -1.060 1
1 665 . 19 1 1 A 63 63 GLY H H 63 9.303 8.598 0.705 1
1 666 . 19 1 1 A 63 63 GLY HA2 H 63 3.889 3.885 0.004 1
1 667 . 19 1 1 A 63 63 GLY HA3 H 63 4.081 3.886 0.195 1
1 668 . 19 1 1 A 63 63 GLY CA C 63 47.216 47.353 -0.137 1
1 669 . 19 1 1 A 63 63 GLY N N 63 116.351 118.427 -2.076 1
1 670 . 19 1 1 A 64 64 SER H H 64 9.242 8.707 0.535 1
1 671 . 19 1 1 A 64 64 SER HA H 64 4.525 4.643 -0.118 1
1 674 . 19 1 1 A 64 64 SER CA C 64 59.046 57.557 1.489 1
1 675 . 19 1 1 A 64 64 SER CB C 64 63.900 63.863 0.037 1
1 676 . 19 1 1 A 64 64 SER N N 64 122.307 121.243 1.064 1
1 677 . 19 1 1 A 65 65 VAL H H 65 8.475 7.601 0.874 1
1 678 . 19 1 1 A 65 65 VAL HA H 65 4.013 4.794 -0.781 1
1 686 . 19 1 1 A 65 65 VAL CA C 65 62.737 60.441 2.296 1
1 687 . 19 1 1 A 65 65 VAL CB C 65 33.308 35.673 -2.365 1
1 690 . 19 1 1 A 65 65 VAL N N 65 124.659 120.725 3.934 1
1 691 . 19 1 1 A 66 66 HIS H H 66 8.968 9.010 -0.042 1
1 692 . 19 1 1 A 66 66 HIS HA H 66 4.337 5.268 -0.931 1
1 698 . 19 1 1 A 66 66 HIS CA C 66 54.409 54.609 -0.200 1
1 699 . 19 1 1 A 66 66 HIS CB C 66 31.099 30.489 0.610 1
1 700 . 19 1 1 A 66 66 HIS N N 66 128.172 126.326 1.846 1
1 701 . 19 1 1 A 67 67 VAL H H 67 8.148 8.959 -0.811 1
1 702 . 19 1 1 A 67 67 VAL HA H 67 3.329 3.710 -0.381 1
1 710 . 19 1 1 A 67 67 VAL CA C 67 64.129 65.522 -1.393 1
1 711 . 19 1 1 A 67 67 VAL CB C 67 32.554 32.191 0.363 1
1 714 . 19 1 1 A 67 67 VAL N N 67 130.509 127.526 2.983 1
1 715 . 19 1 1 A 68 68 GLY H H 68 6.365 7.380 -1.015 1
1 716 . 19 1 1 A 68 68 GLY HA2 H 68 3.003 4.083 -1.080 1
1 717 . 19 1 1 A 68 68 GLY HA3 H 68 4.513 4.183 0.330 1
1 718 . 19 1 1 A 68 68 GLY CA C 68 43.722 45.734 -2.012 1
1 719 . 19 1 1 A 68 68 GLY N N 68 102.729 105.810 -3.081 1
1 720 . 19 1 1 A 69 69 GLY H H 69 9.087 8.639 0.448 1
1 721 . 19 1 1 A 69 69 GLY HA2 H 69 3.752 4.139 -0.387 1
1 722 . 19 1 1 A 69 69 GLY HA3 H 69 4.633 4.404 0.229 1
1 723 . 19 1 1 A 69 69 GLY CA C 69 43.851 45.024 -1.173 1
1 724 . 19 1 1 A 69 69 GLY N N 69 110.274 112.825 -2.551 1
1 725 . 19 1 1 A 70 70 CYS H H 70 8.467 8.798 -0.331 1
1 726 . 19 1 1 A 70 70 CYS HA H 70 3.806 4.271 -0.465 1
1 729 . 19 1 1 A 70 70 CYS CA C 70 63.366 61.616 1.750 1
1 730 . 19 1 1 A 70 70 CYS CB C 70 27.642 27.253 0.389 1
1 731 . 19 1 1 A 70 70 CYS N N 70 118.787 117.902 0.885 1
1 732 . 19 1 1 A 71 71 ASP HA H 71 4.398 4.293 0.105 1
1 735 . 19 1 1 A 71 71 ASP CA C 71 57.405 57.436 -0.031 1
1 736 . 19 1 1 A 71 71 ASP CB C 71 39.058 41.181 -2.123 1
1 737 . 19 1 1 A 72 72 ASP H H 72 7.266 8.256 -0.990 1
1 738 . 19 1 1 A 72 72 ASP HA H 72 4.285 4.483 -0.198 1
1 741 . 19 1 1 A 72 72 ASP CA C 72 57.322 57.466 -0.144 1
1 742 . 19 1 1 A 72 72 ASP CB C 72 41.553 40.509 1.044 1
1 743 . 19 1 1 A 72 72 ASP N N 72 119.650 119.220 0.430 1
1 744 . 19 1 1 A 73 73 LEU H H 73 7.755 8.494 -0.739 1
1 745 . 19 1 1 A 73 73 LEU HA H 73 3.736 4.066 -0.330 1
1 755 . 19 1 1 A 73 73 LEU CA C 73 58.272 58.127 0.145 1
1 756 . 19 1 1 A 73 73 LEU CB C 73 41.995 42.026 -0.031 1
1 760 . 19 1 1 A 73 73 LEU N N 73 121.526 121.459 0.067 1
1 761 . 19 1 1 A 74 74 TYR H H 74 8.244 8.345 -0.101 1
1 762 . 19 1 1 A 74 74 TYR HA H 74 3.697 4.119 -0.422 1
1 769 . 19 1 1 A 74 74 TYR CA C 74 62.802 61.489 1.313 1
1 770 . 19 1 1 A 74 74 TYR CB C 74 37.819 37.599 0.220 1
1 771 . 19 1 1 A 74 74 TYR N N 74 116.552 117.802 -1.250 1
1 772 . 19 1 1 A 75 75 ALA H H 75 8.169 8.274 -0.105 1
1 773 . 19 1 1 A 75 75 ALA HA H 75 4.286 4.174 0.112 1
1 777 . 19 1 1 A 75 75 ALA CA C 75 55.465 54.984 0.481 1
1 778 . 19 1 1 A 75 75 ALA CB C 75 17.722 18.535 -0.813 1
1 779 . 19 1 1 A 75 75 ALA N N 75 122.825 122.894 -0.069 1
1 780 . 19 1 1 A 76 76 LEU H H 76 7.353 8.369 -1.016 1
1 781 . 19 1 1 A 76 76 LEU HA H 76 4.003 4.065 -0.062 1
1 791 . 19 1 1 A 76 76 LEU CA C 76 57.687 57.516 0.171 1
1 792 . 19 1 1 A 76 76 LEU CB C 76 42.753 41.410 1.343 1
1 796 . 19 1 1 A 76 76 LEU N N 76 116.756 120.664 -3.908 1
1 797 . 19 1 1 A 77 77 GLU H H 77 7.420 8.293 -0.873 1
1 798 . 19 1 1 A 77 77 GLU HA H 77 4.575 3.882 0.693 1
1 803 . 19 1 1 A 77 77 GLU CA C 77 57.962 59.795 -1.833 1
1 804 . 19 1 1 A 77 77 GLU CB C 77 28.292 29.117 -0.825 1
1 806 . 19 1 1 A 77 77 GLU N N 77 121.356 119.934 1.422 1
1 807 . 19 1 1 A 78 78 ASP H H 78 8.637 8.035 0.602 1
1 808 . 19 1 1 A 78 78 ASP HA H 78 4.399 4.441 -0.042 1
1 811 . 19 1 1 A 78 78 ASP CA C 78 57.569 57.067 0.502 1
1 812 . 19 1 1 A 78 78 ASP CB C 78 40.715 41.268 -0.553 1
1 813 . 19 1 1 A 78 78 ASP N N 78 123.396 119.856 3.540 1
1 814 . 19 1 1 A 79 79 GLU H H 79 7.773 7.898 -0.125 1
1 815 . 19 1 1 A 79 79 GLU HA H 79 4.283 4.378 -0.095 1
1 820 . 19 1 1 A 79 79 GLU CA C 79 56.357 56.290 0.067 1
1 821 . 19 1 1 A 79 79 GLU CB C 79 30.855 30.726 0.129 1
1 823 . 19 1 1 A 79 79 GLU N N 79 115.336 116.189 -0.853 1
1 824 . 19 1 1 A 80 80 GLY H H 80 8.050 7.929 0.121 1
1 825 . 19 1 1 A 80 80 GLY HA2 H 80 4.031 3.944 0.087 1
1 826 . 19 1 1 A 80 80 GLY HA3 H 80 4.031 3.947 0.084 1
1 827 . 19 1 1 A 80 80 GLY CA C 80 46.314 46.123 0.191 1
1 828 . 19 1 1 A 80 80 GLY N N 80 108.957 108.600 0.357 1
1 829 . 19 1 1 A 81 81 LYS H H 81 8.188 7.772 0.416 1
1 830 . 19 1 1 A 81 81 LYS HA H 81 4.415 4.323 0.092 1
1 839 . 19 1 1 A 81 81 LYS CA C 81 56.716 57.159 -0.443 1
1 840 . 19 1 1 A 81 81 LYS CB C 81 35.935 32.824 3.111 1
1 844 . 19 1 1 A 81 81 LYS N N 81 116.879 118.833 -1.954 1
1 845 . 19 1 1 A 82 82 LEU H H 82 7.499 8.108 -0.609 1
1 846 . 19 1 1 A 82 82 LEU HA H 82 3.977 3.987 -0.010 1
1 856 . 19 1 1 A 82 82 LEU CA C 82 57.480 58.025 -0.545 1
1 857 . 19 1 1 A 82 82 LEU CB C 82 40.489 41.524 -1.035 1
1 861 . 19 1 1 A 82 82 LEU N N 82 122.734 122.156 0.578 1
1 862 . 19 1 1 A 83 83 ASP H H 83 8.625 8.376 0.249 1
1 863 . 19 1 1 A 83 83 ASP HA H 83 4.248 4.305 -0.057 1
1 866 . 19 1 1 A 83 83 ASP CA C 83 58.680 57.434 1.246 1
1 867 . 19 1 1 A 83 83 ASP CB C 83 40.149 40.316 -0.167 1
1 868 . 19 1 1 A 83 83 ASP N N 83 119.728 119.050 0.678 1
1 869 . 19 1 1 A 84 84 SER H H 84 8.426 7.807 0.619 1
1 870 . 19 1 1 A 84 84 SER HA H 84 4.219 4.315 -0.096 1
1 873 . 19 1 1 A 84 84 SER CA C 84 61.473 61.638 -0.165 1
1 874 . 19 1 1 A 84 84 SER CB C 84 62.589 63.314 -0.725 1
1 875 . 19 1 1 A 84 84 SER N N 84 113.454 115.968 -2.514 1
1 876 . 19 1 1 A 85 85 LEU H H 85 7.551 8.221 -0.670 1
1 877 . 19 1 1 A 85 85 LEU HA H 85 4.319 4.121 0.198 1
1 887 . 19 1 1 A 85 85 LEU CA C 85 58.355 57.652 0.703 1
1 888 . 19 1 1 A 85 85 LEU CB C 85 41.588 41.637 -0.049 1
1 892 . 19 1 1 A 85 85 LEU N N 85 126.500 122.071 4.429 1
1 893 . 19 1 1 A 86 86 LEU H H 86 8.382 7.933 0.449 1
1 894 . 19 1 1 A 86 86 LEU HA H 86 3.827 4.104 -0.277 1
1 904 . 19 1 1 A 86 86 LEU CA C 86 57.826 57.678 0.148 1
1 905 . 19 1 1 A 86 86 LEU CB C 86 41.840 41.517 0.323 1
1 909 . 19 1 1 A 86 86 LEU N N 86 117.962 115.899 2.063 1
1 910 . 19 1 1 A 87 87 LYS H H 87 7.522 7.691 -0.169 1
1 911 . 19 1 1 A 87 87 LYS HA H 87 4.331 4.166 0.165 1
1 920 . 19 1 1 A 87 87 LYS CA C 87 58.325 58.848 -0.523 1
1 921 . 19 1 1 A 87 87 LYS CB C 87 34.043 33.131 0.912 1
1 925 . 19 1 1 A 87 87 LYS N N 87 114.198 118.522 -4.324 1
1 926 . 19 1 1 A 88 88 THR H H 88 8.165 8.186 -0.021 1
1 927 . 19 1 1 A 88 88 THR HA H 88 4.507 4.430 0.077 1
1 932 . 19 1 1 A 88 88 THR CA C 88 62.385 62.604 -0.219 1
1 933 . 19 1 1 A 88 88 THR CB C 88 72.525 70.522 2.003 1
1 935 . 19 1 1 A 88 88 THR N N 88 106.021 108.154 -2.133 1
1 936 . 19 1 1 A 89 89 GLY H H 89 9.139 8.836 0.303 1
1 937 . 19 1 1 A 89 89 GLY HA2 H 89 3.612 3.908 -0.296 1
1 938 . 19 1 1 A 89 89 GLY HA3 H 89 4.204 3.914 0.290 1
1 939 . 19 1 1 A 89 89 GLY CA C 89 46.770 45.727 1.043 1
1 940 . 19 1 1 A 89 89 GLY N N 89 112.926 112.061 0.865 1
1 941 . 19 1 1 A 90 90 LYS H H 90 7.933 7.142 0.791 1
1 942 . 19 1 1 A 90 90 LYS HA H 90 4.459 4.744 -0.285 1
1 951 . 19 1 1 A 90 90 LYS CA C 90 54.576 54.904 -0.328 1
1 952 . 19 1 1 A 90 90 LYS CB C 90 35.788 35.015 0.773 1
1 956 . 19 1 1 A 90 90 LYS N N 90 117.810 115.151 2.659 1
1 957 . 19 1 1 A 91 91 LEU H H 91 8.487 8.440 0.047 1
1 958 . 19 1 1 A 91 91 LEU HA H 91 4.423 4.977 -0.554 1
1 968 . 19 1 1 A 91 91 LEU CA C 91 54.491 53.255 1.236 1
1 969 . 19 1 1 A 91 91 LEU CB C 91 43.083 43.596 -0.513 1
1 973 . 19 1 1 A 91 91 LEU N N 91 123.364 119.789 3.575 1
1 1 . 20 1 1 A 2 2 PRO HA H 2 4.444 4.432 0.012 1
1 8 . 20 1 1 A 2 2 PRO CA C 2 63.468 63.044 0.424 1
1 9 . 20 1 1 A 2 2 PRO CB C 2 32.153 33.497 -1.344 1
1 12 . 20 1 1 A 3 3 GLY H H 3 8.672 8.068 0.604 1
1 13 . 20 1 1 A 3 3 GLY HA2 H 3 4.759 4.163 0.596 1
1 14 . 20 1 1 A 3 3 GLY HA3 H 3 4.759 4.163 0.596 1
1 15 . 20 1 1 A 3 3 GLY CA C 3 45.323 45.236 0.087 1
1 16 . 20 1 1 A 3 3 GLY N N 3 110.465 107.369 3.096 1
1 17 . 20 1 1 A 4 4 SER H H 4 8.201 8.610 -0.409 1
1 18 . 20 1 1 A 4 4 SER HA H 4 4.454 5.359 -0.905 1
1 21 . 20 1 1 A 4 4 SER CA C 4 58.370 57.616 0.754 1
1 22 . 20 1 1 A 4 4 SER CB C 4 64.049 67.442 -3.393 1
1 23 . 20 1 1 A 4 4 SER N N 4 115.747 116.225 -0.478 1
1 24 . 20 1 1 A 5 5 MET H H 5 8.315 8.803 -0.488 1
1 25 . 20 1 1 A 5 5 MET HA H 5 4.675 5.103 -0.428 1
1 30 . 20 1 1 A 5 5 MET CA C 5 55.466 54.348 1.118 1
1 31 . 20 1 1 A 5 5 MET CB C 5 34.462 37.496 -3.034 1
1 33 . 20 1 1 A 5 5 MET N N 5 121.679 120.191 1.488 1
1 34 . 20 1 1 A 6 6 VAL H H 6 8.169 8.243 -0.074 1
1 35 . 20 1 1 A 6 6 VAL HA H 6 4.141 4.847 -0.706 1
1 43 . 20 1 1 A 6 6 VAL CA C 6 61.395 58.826 2.569 1
1 44 . 20 1 1 A 6 6 VAL CB C 6 32.669 35.440 -2.771 1
1 47 . 20 1 1 A 6 6 VAL N N 6 118.330 115.224 3.106 1
1 48 . 20 1 1 A 7 7 ASP H H 7 8.335 8.611 -0.276 1
1 49 . 20 1 1 A 7 7 ASP HA H 7 4.526 4.829 -0.303 1
1 52 . 20 1 1 A 7 7 ASP CA C 7 55.023 53.638 1.385 1
1 53 . 20 1 1 A 7 7 ASP CB C 7 41.455 41.398 0.057 1
1 54 . 20 1 1 A 7 7 ASP N N 7 122.032 121.951 0.081 1
1 55 . 20 1 1 A 8 8 VAL H H 8 8.662 8.897 -0.235 1
1 56 . 20 1 1 A 8 8 VAL HA H 8 4.947 5.036 -0.089 1
1 64 . 20 1 1 A 8 8 VAL CA C 8 61.415 61.406 0.009 1
1 65 . 20 1 1 A 8 8 VAL CB C 8 33.703 33.809 -0.106 1
1 68 . 20 1 1 A 8 8 VAL N N 8 124.216 124.327 -0.111 1
1 69 . 20 1 1 A 9 9 ILE H H 9 9.311 9.390 -0.079 1
1 70 . 20 1 1 A 9 9 ILE HA H 9 4.963 5.157 -0.194 1
1 80 . 20 1 1 A 9 9 ILE CA C 9 59.648 59.694 -0.046 1
1 81 . 20 1 1 A 9 9 ILE CB C 9 41.374 40.707 0.667 1
1 85 . 20 1 1 A 9 9 ILE N N 9 129.869 129.022 0.847 1
1 86 . 20 1 1 A 10 10 ILE H H 10 8.720 9.174 -0.454 1
1 87 . 20 1 1 A 10 10 ILE HA H 10 5.442 5.367 0.075 1
1 97 . 20 1 1 A 10 10 ILE CA C 10 58.153 58.399 -0.246 1
1 98 . 20 1 1 A 10 10 ILE CB C 10 41.947 41.228 0.719 1
1 102 . 20 1 1 A 10 10 ILE N N 10 123.598 129.120 -5.522 1
1 103 . 20 1 1 A 11 11 TYR H H 11 9.340 8.834 0.506 1
1 104 . 20 1 1 A 11 11 TYR HA H 11 5.667 5.445 0.222 1
1 111 . 20 1 1 A 11 11 TYR CA C 11 57.300 56.307 0.993 1
1 112 . 20 1 1 A 11 11 TYR CB C 11 40.550 40.388 0.162 1
1 113 . 20 1 1 A 11 11 TYR N N 11 128.888 127.681 1.207 1
1 114 . 20 1 1 A 12 12 THR H H 12 9.374 8.815 0.559 1
1 115 . 20 1 1 A 12 12 THR HA H 12 5.277 5.125 0.152 1
1 120 . 20 1 1 A 12 12 THR CA C 12 59.567 59.602 -0.035 1
1 121 . 20 1 1 A 12 12 THR CB C 12 72.183 72.820 -0.637 1
1 123 . 20 1 1 A 12 12 THR N N 12 112.083 113.746 -1.663 1
1 124 . 20 1 1 A 13 13 ARG H H 13 7.379 8.261 -0.882 1
1 125 . 20 1 1 A 13 13 ARG HA H 13 4.779 4.968 -0.189 1
1 132 . 20 1 1 A 13 13 ARG CA C 13 52.961 53.467 -0.506 1
1 133 . 20 1 1 A 13 13 ARG CB C 13 31.374 32.744 -1.370 1
1 136 . 20 1 1 A 13 13 ARG N N 13 113.131 120.143 -7.012 1
1 137 . 20 1 1 A 14 14 PRO HA H 14 4.276 4.557 -0.281 1
1 144 . 20 1 1 A 14 14 PRO CA C 14 63.498 62.708 0.790 1
1 145 . 20 1 1 A 14 14 PRO CB C 14 32.015 29.540 2.475 1
1 148 . 20 1 1 A 15 15 GLY H H 15 8.672 8.469 0.203 1
1 149 . 20 1 1 A 15 15 GLY HA2 H 15 3.946 4.110 -0.164 1
1 150 . 20 1 1 A 15 15 GLY HA3 H 15 3.946 4.115 -0.169 1
1 151 . 20 1 1 A 15 15 GLY N N 15 110.274 112.471 -2.197 1
1 152 . 20 1 1 A 16 16 CYS H H 16 6.985 7.732 -0.747 1
1 153 . 20 1 1 A 16 16 CYS HA H 16 4.769 4.870 -0.101 1
1 156 . 20 1 1 A 16 16 CYS CA C 16 56.315 56.959 -0.644 1
1 157 . 20 1 1 A 16 16 CYS CB C 16 31.724 31.042 0.682 1
1 158 . 20 1 1 A 16 16 CYS N N 16 124.357 116.144 8.213 1
1 159 . 20 1 1 A 17 17 PRO HA H 17 4.417 4.296 0.121 1
1 166 . 20 1 1 A 17 17 PRO CA C 17 64.516 65.062 -0.546 1
1 167 . 20 1 1 A 17 17 PRO CB C 17 32.205 31.767 0.438 1
1 170 . 20 1 1 A 18 18 TYR H H 18 9.273 7.610 1.663 1
1 171 . 20 1 1 A 18 18 TYR HA H 18 4.375 4.275 0.100 1
1 178 . 20 1 1 A 18 18 TYR CA C 18 61.227 61.243 -0.016 1
1 179 . 20 1 1 A 18 18 TYR CB C 18 38.025 37.343 0.682 1
1 180 . 20 1 1 A 18 18 TYR N N 18 127.619 117.336 10.283 1
1 181 . 20 1 1 A 19 19 CYS H H 19 9.854 8.277 1.577 1
1 182 . 20 1 1 A 19 19 CYS HA H 19 3.870 4.067 -0.197 1
1 185 . 20 1 1 A 19 19 CYS CA C 19 64.810 63.060 1.750 1
1 186 . 20 1 1 A 19 19 CYS CB C 19 29.498 27.273 2.225 1
1 187 . 20 1 1 A 19 19 CYS N N 19 128.016 118.175 9.841 1
1 188 . 20 1 1 A 20 20 ALA H H 20 7.948 7.842 0.106 1
1 189 . 20 1 1 A 20 20 ALA HA H 20 3.995 4.027 -0.032 1
1 193 . 20 1 1 A 20 20 ALA CA C 20 55.804 55.349 0.455 1
1 194 . 20 1 1 A 20 20 ALA CB C 20 18.201 18.575 -0.374 1
1 195 . 20 1 1 A 20 20 ALA N N 20 121.373 122.500 -1.127 1
1 196 . 20 1 1 A 21 21 ARG H H 21 8.064 7.830 0.234 1
1 197 . 20 1 1 A 21 21 ARG HA H 21 4.159 4.066 0.093 1
1 204 . 20 1 1 A 21 21 ARG CA C 21 59.500 59.380 0.120 1
1 205 . 20 1 1 A 21 21 ARG CB C 21 30.535 30.399 0.136 1
1 208 . 20 1 1 A 21 21 ARG N N 21 119.886 117.519 2.367 1
1 209 . 20 1 1 A 22 22 ALA H H 22 8.342 7.952 0.390 1
1 210 . 20 1 1 A 22 22 ALA HA H 22 4.174 4.210 -0.036 1
1 214 . 20 1 1 A 22 22 ALA CA C 22 55.658 55.354 0.304 1
1 215 . 20 1 1 A 22 22 ALA CB C 22 19.485 18.235 1.250 1
1 216 . 20 1 1 A 22 22 ALA N N 22 125.852 121.936 3.916 1
1 217 . 20 1 1 A 23 23 LYS H H 23 7.968 8.430 -0.462 1
1 218 . 20 1 1 A 23 23 LYS HA H 23 3.243 4.088 -0.845 1
1 227 . 20 1 1 A 23 23 LYS CA C 23 60.699 59.247 1.452 1
1 228 . 20 1 1 A 23 23 LYS CB C 23 31.640 32.489 -0.849 1
1 232 . 20 1 1 A 23 23 LYS N N 23 116.539 117.081 -0.542 1
1 233 . 20 1 1 A 24 24 ALA H H 24 8.027 8.245 -0.218 1
1 234 . 20 1 1 A 24 24 ALA HA H 24 4.152 4.137 0.015 1
1 238 . 20 1 1 A 24 24 ALA CA C 24 55.067 54.980 0.087 1
1 239 . 20 1 1 A 24 24 ALA CB C 24 18.039 18.472 -0.433 1
1 240 . 20 1 1 A 24 24 ALA N N 24 120.099 122.514 -2.415 1
1 241 . 20 1 1 A 25 25 LEU H H 25 7.184 8.062 -0.878 1
1 242 . 20 1 1 A 25 25 LEU HA H 25 4.089 4.129 -0.040 1
1 252 . 20 1 1 A 25 25 LEU CA C 25 57.761 57.956 -0.195 1
1 253 . 20 1 1 A 25 25 LEU CB C 25 40.444 41.989 -1.545 1
1 257 . 20 1 1 A 25 25 LEU N N 25 119.676 120.065 -0.389 1
1 258 . 20 1 1 A 26 26 LEU H H 26 7.477 8.359 -0.882 1
1 259 . 20 1 1 A 26 26 LEU HA H 26 3.701 4.187 -0.486 1
1 269 . 20 1 1 A 26 26 LEU CA C 26 58.523 57.862 0.661 1
1 270 . 20 1 1 A 26 26 LEU CB C 26 41.105 40.280 0.825 1
1 274 . 20 1 1 A 26 26 LEU N N 26 117.225 118.679 -1.454 1
1 275 . 20 1 1 A 27 27 ALA H H 27 8.657 8.331 0.326 1
1 276 . 20 1 1 A 27 27 ALA HA H 27 4.368 4.158 0.210 1
1 280 . 20 1 1 A 27 27 ALA CA C 27 55.066 55.009 0.057 1
1 281 . 20 1 1 A 27 27 ALA CB C 27 18.137 18.194 -0.057 1
1 282 . 20 1 1 A 27 27 ALA N N 27 119.692 122.124 -2.432 1
1 283 . 20 1 1 A 28 28 ARG H H 28 8.048 7.823 0.225 1
1 284 . 20 1 1 A 28 28 ARG HA H 28 4.110 4.044 0.066 1
1 291 . 20 1 1 A 28 28 ARG CA C 28 59.249 59.460 -0.211 1
1 292 . 20 1 1 A 28 28 ARG CB C 28 29.962 29.984 -0.022 1
1 295 . 20 1 1 A 28 28 ARG N N 28 121.433 118.656 2.777 1
1 296 . 20 1 1 A 29 29 LYS H H 29 7.660 7.411 0.249 1
1 297 . 20 1 1 A 29 29 LYS HA H 29 4.192 4.243 -0.051 1
1 306 . 20 1 1 A 29 29 LYS CA C 29 54.864 55.858 -0.994 1
1 307 . 20 1 1 A 29 29 LYS CB C 29 31.476 32.164 -0.688 1
1 311 . 20 1 1 A 29 29 LYS N N 29 115.942 115.997 -0.055 1
1 312 . 20 1 1 A 30 30 GLY H H 30 7.919 7.833 0.086 1
1 313 . 20 1 1 A 30 30 GLY HA2 H 30 3.734 3.966 -0.232 1
1 314 . 20 1 1 A 30 30 GLY HA3 H 30 4.013 3.969 0.044 1
1 315 . 20 1 1 A 30 30 GLY CA C 30 45.497 45.191 0.306 1
1 316 . 20 1 1 A 30 30 GLY N N 30 107.837 109.299 -1.462 1
1 317 . 20 1 1 A 31 31 ALA H H 31 7.830 8.013 -0.183 1
1 318 . 20 1 1 A 31 31 ALA HA H 31 4.446 4.308 0.138 1
1 322 . 20 1 1 A 31 31 ALA CA C 31 51.562 52.455 -0.893 1
1 323 . 20 1 1 A 31 31 ALA CB C 31 19.964 19.097 0.867 1
1 324 . 20 1 1 A 31 31 ALA N N 31 122.333 124.143 -1.810 1
1 325 . 20 1 1 A 32 32 GLU H H 32 8.322 8.520 -0.198 1
1 326 . 20 1 1 A 32 32 GLU HA H 32 4.173 4.413 -0.240 1
1 331 . 20 1 1 A 32 32 GLU CA C 32 55.621 56.047 -0.426 1
1 332 . 20 1 1 A 32 32 GLU CB C 32 29.734 30.313 -0.579 1
1 334 . 20 1 1 A 32 32 GLU N N 32 124.383 123.287 1.096 1
1 335 . 20 1 1 A 33 33 PHE H H 33 7.623 8.499 -0.876 1
1 336 . 20 1 1 A 33 33 PHE HA H 33 5.151 5.241 -0.090 1
1 344 . 20 1 1 A 33 33 PHE CA C 33 55.106 55.961 -0.855 1
1 345 . 20 1 1 A 33 33 PHE CB C 33 41.937 41.817 0.120 1
1 346 . 20 1 1 A 33 33 PHE N N 33 116.953 117.113 -0.160 1
1 347 . 20 1 1 A 34 34 ASN H H 34 8.938 8.890 0.048 1
1 348 . 20 1 1 A 34 34 ASN HA H 34 4.897 4.950 -0.053 1
1 353 . 20 1 1 A 34 34 ASN CA C 34 52.081 52.910 -0.829 1
1 354 . 20 1 1 A 34 34 ASN CB C 34 39.784 39.684 0.100 1
1 355 . 20 1 1 A 34 34 ASN N N 34 120.410 119.824 0.586 1
1 357 . 20 1 1 A 35 35 GLU H H 35 8.764 8.979 -0.215 1
1 358 . 20 1 1 A 35 35 GLU HA H 35 5.135 4.909 0.226 1
1 363 . 20 1 1 A 35 35 GLU CA C 35 54.519 55.969 -1.450 1
1 364 . 20 1 1 A 35 35 GLU CB C 35 31.306 30.713 0.593 1
1 366 . 20 1 1 A 35 35 GLU N N 35 126.769 127.444 -0.675 1
1 367 . 20 1 1 A 36 36 ILE H H 36 8.975 8.683 0.292 1
1 368 . 20 1 1 A 36 36 ILE HA H 36 4.108 4.620 -0.512 1
1 378 . 20 1 1 A 36 36 ILE CA C 36 60.156 59.125 1.031 1
1 379 . 20 1 1 A 36 36 ILE CB C 36 40.382 41.221 -0.839 1
1 383 . 20 1 1 A 36 36 ILE N N 36 130.393 127.038 3.355 1
1 384 . 20 1 1 A 37 37 ASP H H 37 8.494 8.744 -0.250 1
1 385 . 20 1 1 A 37 37 ASP HA H 37 4.965 4.978 -0.013 1
1 388 . 20 1 1 A 37 37 ASP CA C 37 52.537 53.559 -1.022 1
1 389 . 20 1 1 A 37 37 ASP CB C 37 39.350 42.205 -2.855 1
1 390 . 20 1 1 A 37 37 ASP N N 37 125.910 125.334 0.576 1
1 391 . 20 1 1 A 38 38 ALA H H 38 8.764 7.868 0.896 1
1 392 . 20 1 1 A 38 38 ALA HA H 38 4.621 4.537 0.084 1
1 396 . 20 1 1 A 38 38 ALA CA C 38 51.729 53.203 -1.474 1
1 397 . 20 1 1 A 38 38 ALA CB C 38 20.588 20.800 -0.212 1
1 398 . 20 1 1 A 38 38 ALA N N 38 130.164 123.680 6.484 1
1 399 . 20 1 1 A 39 39 SER H H 39 8.668 8.052 0.616 1
1 400 . 20 1 1 A 39 39 SER HA H 39 4.469 4.161 0.308 1
1 403 . 20 1 1 A 39 39 SER CA C 39 59.342 60.876 -1.534 1
1 404 . 20 1 1 A 39 39 SER CB C 39 64.938 63.247 1.691 1
1 405 . 20 1 1 A 39 39 SER N N 39 111.397 114.180 -2.783 1
1 406 . 20 1 1 A 40 40 ALA H H 40 7.466 7.691 -0.225 1
1 407 . 20 1 1 A 40 40 ALA HA H 40 4.136 4.097 0.039 1
1 411 . 20 1 1 A 40 40 ALA CA C 40 55.000 55.089 -0.089 1
1 412 . 20 1 1 A 40 40 ALA CB C 40 20.463 19.090 1.373 1
1 413 . 20 1 1 A 40 40 ALA N N 40 124.335 121.904 2.431 1
1 414 . 20 1 1 A 41 41 THR H H 41 7.098 7.338 -0.240 1
1 415 . 20 1 1 A 41 41 THR HA H 41 4.978 4.913 0.065 1
1 420 . 20 1 1 A 41 41 THR CA C 41 57.841 58.871 -1.030 1
1 421 . 20 1 1 A 41 41 THR CB C 41 70.742 71.120 -0.378 1
1 423 . 20 1 1 A 41 41 THR N N 41 105.166 107.840 -2.674 1
1 424 . 20 1 1 A 42 42 PRO HA H 42 4.299 4.344 -0.045 1
1 431 . 20 1 1 A 42 42 PRO CA C 42 64.586 65.350 -0.764 1
1 432 . 20 1 1 A 42 42 PRO CB C 42 31.963 31.949 0.014 1
1 435 . 20 1 1 A 43 43 GLU H H 43 8.997 8.136 0.861 1
1 436 . 20 1 1 A 43 43 GLU HA H 43 4.052 4.094 -0.042 1
1 441 . 20 1 1 A 43 43 GLU CA C 43 60.694 59.680 1.014 1
1 442 . 20 1 1 A 43 43 GLU CB C 43 28.709 29.707 -0.998 1
1 444 . 20 1 1 A 43 43 GLU N N 43 118.804 118.204 0.600 1
1 445 . 20 1 1 A 44 44 LEU H H 44 7.882 8.455 -0.573 1
1 446 . 20 1 1 A 44 44 LEU HA H 44 4.285 4.026 0.259 1
1 456 . 20 1 1 A 44 44 LEU CA C 44 57.573 57.879 -0.306 1
1 457 . 20 1 1 A 44 44 LEU CB C 44 42.548 41.534 1.014 1
1 461 . 20 1 1 A 44 44 LEU N N 44 122.381 120.166 2.215 1
1 462 . 20 1 1 A 45 45 ARG H H 45 7.709 7.716 -0.007 1
1 463 . 20 1 1 A 45 45 ARG HA H 45 4.026 4.135 -0.109 1
1 470 . 20 1 1 A 45 45 ARG CA C 45 60.055 58.938 1.117 1
1 471 . 20 1 1 A 45 45 ARG CB C 45 29.943 29.732 0.211 1
1 474 . 20 1 1 A 45 45 ARG N N 45 122.487 121.115 1.372 1
1 475 . 20 1 1 A 46 46 ALA H H 46 8.144 8.032 0.112 1
1 476 . 20 1 1 A 46 46 ALA HA H 46 4.074 4.393 -0.319 1
1 480 . 20 1 1 A 46 46 ALA CA C 46 54.865 55.377 -0.512 1
1 481 . 20 1 1 A 46 46 ALA CB C 46 17.777 18.398 -0.621 1
1 482 . 20 1 1 A 46 46 ALA N N 46 121.132 122.582 -1.450 1
1 483 . 20 1 1 A 47 47 GLU H H 47 7.902 8.209 -0.307 1
1 484 . 20 1 1 A 47 47 GLU HA H 47 3.995 4.052 -0.057 1
1 489 . 20 1 1 A 47 47 GLU CA C 47 59.524 59.267 0.257 1
1 490 . 20 1 1 A 47 47 GLU CB C 47 29.915 29.297 0.618 1
1 492 . 20 1 1 A 47 47 GLU N N 47 121.104 116.634 4.470 1
1 493 . 20 1 1 A 48 48 MET H H 48 7.984 7.755 0.229 1
1 494 . 20 1 1 A 48 48 MET HA H 48 2.786 4.137 -1.351 1
1 499 . 20 1 1 A 48 48 MET CA C 48 59.662 58.522 1.140 1
1 500 . 20 1 1 A 48 48 MET CB C 48 33.701 33.083 0.618 1
1 502 . 20 1 1 A 48 48 MET N N 48 118.769 119.160 -0.391 1
1 503 . 20 1 1 A 49 49 GLN H H 49 8.209 8.194 0.015 1
1 504 . 20 1 1 A 49 49 GLN HA H 49 4.299 4.181 0.118 1
1 511 . 20 1 1 A 49 49 GLN CA C 49 58.669 57.901 0.768 1
1 512 . 20 1 1 A 49 49 GLN CB C 49 28.742 27.317 1.425 1
1 514 . 20 1 1 A 49 49 GLN N N 49 122.155 116.763 5.392 1
1 516 . 20 1 1 A 50 50 GLU H H 50 8.671 7.952 0.719 1
1 517 . 20 1 1 A 50 50 GLU HA H 50 3.904 4.151 -0.247 1
1 522 . 20 1 1 A 50 50 GLU CA C 50 59.156 59.029 0.127 1
1 523 . 20 1 1 A 50 50 GLU CB C 50 29.504 29.096 0.408 1
1 525 . 20 1 1 A 50 50 GLU N N 50 122.081 120.386 1.695 1
1 526 . 20 1 1 A 51 51 ARG H H 51 8.244 7.681 0.563 1
1 527 . 20 1 1 A 51 51 ARG HA H 51 3.993 4.295 -0.302 1
1 534 . 20 1 1 A 51 51 ARG CA C 51 58.503 57.813 0.690 1
1 535 . 20 1 1 A 51 51 ARG CB C 51 31.363 31.017 0.346 1
1 538 . 20 1 1 A 51 51 ARG N N 51 115.848 119.739 -3.891 1
1 539 . 20 1 1 A 52 52 SER H H 52 7.994 7.343 0.651 1
1 540 . 20 1 1 A 52 52 SER HA H 52 3.674 4.321 -0.647 1
1 543 . 20 1 1 A 52 52 SER CA C 52 58.897 58.982 -0.085 1
1 544 . 20 1 1 A 52 52 SER CB C 52 66.908 63.567 3.341 1
1 545 . 20 1 1 A 52 52 SER N N 52 109.721 111.642 -1.921 1
1 546 . 20 1 1 A 53 53 GLY H H 53 8.205 8.882 -0.677 1
1 547 . 20 1 1 A 53 53 GLY HA2 H 53 3.815 3.835 -0.020 1
1 548 . 20 1 1 A 53 53 GLY HA3 H 53 4.063 3.861 0.202 1
1 549 . 20 1 1 A 53 53 GLY CA C 53 46.182 45.589 0.593 1
1 550 . 20 1 1 A 53 53 GLY N N 53 112.716 109.110 3.606 1
1 551 . 20 1 1 A 54 54 ARG H H 54 8.323 7.767 0.556 1
1 552 . 20 1 1 A 54 54 ARG HA H 54 4.595 4.736 -0.141 1
1 559 . 20 1 1 A 54 54 ARG CA C 54 54.426 53.854 0.572 1
1 560 . 20 1 1 A 54 54 ARG CB C 54 35.418 32.593 2.825 1
1 563 . 20 1 1 A 54 54 ARG N N 54 119.629 120.032 -0.403 1
1 564 . 20 1 1 A 55 55 ASN H H 55 8.184 8.420 -0.236 1
1 565 . 20 1 1 A 55 55 ASN HA H 55 4.692 4.435 0.257 1
1 570 . 20 1 1 A 55 55 ASN CA C 55 51.458 56.412 -4.954 1
1 571 . 20 1 1 A 55 55 ASN N N 55 112.763 118.973 -6.210 1
1 573 . 20 1 1 A 56 56 THR H H 56 6.730 7.843 -1.113 1
1 574 . 20 1 1 A 56 56 THR HA H 56 4.309 4.740 -0.431 1
1 579 . 20 1 1 A 56 56 THR CA C 56 59.120 61.143 -2.023 1
1 580 . 20 1 1 A 56 56 THR CB C 56 70.754 71.206 -0.452 1
1 582 . 20 1 1 A 56 56 THR N N 56 107.946 107.900 0.046 1
1 583 . 20 1 1 A 57 57 PHE H H 57 8.568 9.015 -0.447 1
1 584 . 20 1 1 A 57 57 PHE HA H 57 4.641 5.082 -0.441 1
1 592 . 20 1 1 A 57 57 PHE CA C 57 54.923 55.302 -0.379 1
1 593 . 20 1 1 A 57 57 PHE CB C 57 41.272 40.611 0.661 1
1 594 . 20 1 1 A 57 57 PHE N N 57 117.566 118.464 -0.898 1
1 595 . 20 1 1 A 58 58 PRO HA H 58 5.604 4.550 1.054 1
1 602 . 20 1 1 A 58 58 PRO CA C 58 62.749 62.794 -0.045 1
1 603 . 20 1 1 A 58 58 PRO CB C 58 36.563 31.755 4.808 1
1 606 . 20 1 1 A 59 59 GLN H H 59 7.926 8.350 -0.424 1
1 607 . 20 1 1 A 59 59 GLN HA H 59 4.813 4.692 0.121 1
1 614 . 20 1 1 A 59 59 GLN CA C 59 55.111 54.770 0.341 1
1 615 . 20 1 1 A 59 59 GLN CB C 59 31.737 29.700 2.037 1
1 617 . 20 1 1 A 59 59 GLN N N 59 112.301 121.894 -9.593 1
1 619 . 20 1 1 A 60 60 ILE H H 60 8.936 8.900 0.036 1
1 620 . 20 1 1 A 60 60 ILE HA H 60 4.933 4.285 0.648 1
1 630 . 20 1 1 A 60 60 ILE CA C 60 61.288 60.083 1.205 1
1 631 . 20 1 1 A 60 60 ILE CB C 60 40.912 38.901 2.011 1
1 635 . 20 1 1 A 60 60 ILE N N 60 123.133 123.863 -0.730 1
1 636 . 20 1 1 A 61 61 PHE H H 61 9.629 8.966 0.663 1
1 637 . 20 1 1 A 61 61 PHE HA H 61 5.354 5.226 0.128 1
1 645 . 20 1 1 A 61 61 PHE CA C 61 56.630 57.127 -0.497 1
1 646 . 20 1 1 A 61 61 PHE CB C 61 41.883 40.433 1.450 1
1 647 . 20 1 1 A 61 61 PHE N N 61 128.347 126.572 1.775 1
1 648 . 20 1 1 A 62 62 ILE H H 62 9.070 8.923 0.147 1
1 649 . 20 1 1 A 62 62 ILE HA H 62 4.587 4.648 -0.061 1
1 659 . 20 1 1 A 62 62 ILE CA C 62 60.903 60.302 0.601 1
1 660 . 20 1 1 A 62 62 ILE CB C 62 39.789 39.240 0.549 1
1 664 . 20 1 1 A 62 62 ILE N N 62 122.709 123.705 -0.996 1
1 665 . 20 1 1 A 63 63 GLY H H 63 9.303 9.219 0.084 1
1 666 . 20 1 1 A 63 63 GLY HA2 H 63 3.889 3.892 -0.003 1
1 667 . 20 1 1 A 63 63 GLY HA3 H 63 4.081 3.892 0.189 1
1 668 . 20 1 1 A 63 63 GLY CA C 63 47.216 47.360 -0.144 1
1 669 . 20 1 1 A 63 63 GLY N N 63 116.351 117.931 -1.580 1
1 670 . 20 1 1 A 64 64 SER H H 64 9.242 8.592 0.650 1
1 671 . 20 1 1 A 64 64 SER HA H 64 4.525 4.574 -0.049 1
1 674 . 20 1 1 A 64 64 SER CA C 64 59.046 57.825 1.221 1
1 675 . 20 1 1 A 64 64 SER CB C 64 63.900 64.032 -0.132 1
1 676 . 20 1 1 A 64 64 SER N N 64 122.307 120.628 1.679 1
1 677 . 20 1 1 A 65 65 VAL H H 65 8.475 7.617 0.858 1
1 678 . 20 1 1 A 65 65 VAL HA H 65 4.013 4.778 -0.765 1
1 686 . 20 1 1 A 65 65 VAL CA C 65 62.737 60.462 2.275 1
1 687 . 20 1 1 A 65 65 VAL CB C 65 33.308 35.780 -2.472 1
1 690 . 20 1 1 A 65 65 VAL N N 65 124.659 121.170 3.489 1
1 691 . 20 1 1 A 66 66 HIS H H 66 8.968 9.019 -0.051 1
1 692 . 20 1 1 A 66 66 HIS HA H 66 4.337 5.354 -1.017 1
1 698 . 20 1 1 A 66 66 HIS CA C 66 54.409 54.661 -0.252 1
1 699 . 20 1 1 A 66 66 HIS CB C 66 31.099 30.757 0.342 1
1 700 . 20 1 1 A 66 66 HIS N N 66 128.172 126.414 1.758 1
1 701 . 20 1 1 A 67 67 VAL H H 67 8.148 8.877 -0.729 1
1 702 . 20 1 1 A 67 67 VAL HA H 67 3.329 3.702 -0.373 1
1 710 . 20 1 1 A 67 67 VAL CA C 67 64.129 65.525 -1.396 1
1 711 . 20 1 1 A 67 67 VAL CB C 67 32.554 32.258 0.296 1
1 714 . 20 1 1 A 67 67 VAL N N 67 130.509 127.499 3.010 1
1 715 . 20 1 1 A 68 68 GLY H H 68 6.365 7.442 -1.077 1
1 716 . 20 1 1 A 68 68 GLY HA2 H 68 3.003 4.052 -1.049 1
1 717 . 20 1 1 A 68 68 GLY HA3 H 68 4.513 4.147 0.366 1
1 718 . 20 1 1 A 68 68 GLY CA C 68 43.722 45.963 -2.241 1
1 719 . 20 1 1 A 68 68 GLY N N 68 102.729 105.763 -3.034 1
1 720 . 20 1 1 A 69 69 GLY H H 69 9.087 8.566 0.521 1
1 721 . 20 1 1 A 69 69 GLY HA2 H 69 3.752 4.177 -0.425 1
1 722 . 20 1 1 A 69 69 GLY HA3 H 69 4.633 4.459 0.174 1
1 723 . 20 1 1 A 69 69 GLY CA C 69 43.851 44.895 -1.044 1
1 724 . 20 1 1 A 69 69 GLY N N 69 110.274 111.909 -1.635 1
1 725 . 20 1 1 A 70 70 CYS H H 70 8.467 9.008 -0.541 1
1 726 . 20 1 1 A 70 70 CYS HA H 70 3.806 4.116 -0.310 1
1 729 . 20 1 1 A 70 70 CYS CA C 70 63.366 62.510 0.856 1
1 730 . 20 1 1 A 70 70 CYS CB C 70 27.642 26.973 0.669 1
1 731 . 20 1 1 A 70 70 CYS N N 70 118.787 118.340 0.447 1
1 732 . 20 1 1 A 71 71 ASP HA H 71 4.398 4.243 0.155 1
1 735 . 20 1 1 A 71 71 ASP CA C 71 57.405 57.587 -0.182 1
1 736 . 20 1 1 A 71 71 ASP CB C 71 39.058 40.042 -0.984 1
1 737 . 20 1 1 A 72 72 ASP H H 72 7.266 8.142 -0.876 1
1 738 . 20 1 1 A 72 72 ASP HA H 72 4.285 4.417 -0.132 1
1 741 . 20 1 1 A 72 72 ASP CA C 72 57.322 57.414 -0.092 1
1 742 . 20 1 1 A 72 72 ASP CB C 72 41.553 40.777 0.776 1
1 743 . 20 1 1 A 72 72 ASP N N 72 119.650 119.555 0.095 1
1 744 . 20 1 1 A 73 73 LEU H H 73 7.755 8.402 -0.647 1
1 745 . 20 1 1 A 73 73 LEU HA H 73 3.736 4.097 -0.361 1
1 755 . 20 1 1 A 73 73 LEU CA C 73 58.272 58.075 0.197 1
1 756 . 20 1 1 A 73 73 LEU CB C 73 41.995 41.736 0.259 1
1 760 . 20 1 1 A 73 73 LEU N N 73 121.526 120.771 0.755 1
1 761 . 20 1 1 A 74 74 TYR H H 74 8.244 8.602 -0.358 1
1 762 . 20 1 1 A 74 74 TYR HA H 74 3.697 4.103 -0.406 1
1 769 . 20 1 1 A 74 74 TYR CA C 74 62.802 61.512 1.290 1
1 770 . 20 1 1 A 74 74 TYR CB C 74 37.819 37.502 0.317 1
1 771 . 20 1 1 A 74 74 TYR N N 74 116.552 117.986 -1.434 1
1 772 . 20 1 1 A 75 75 ALA H H 75 8.169 8.251 -0.082 1
1 773 . 20 1 1 A 75 75 ALA HA H 75 4.286 4.172 0.114 1
1 777 . 20 1 1 A 75 75 ALA CA C 75 55.465 54.982 0.483 1
1 778 . 20 1 1 A 75 75 ALA CB C 75 17.722 18.564 -0.842 1
1 779 . 20 1 1 A 75 75 ALA N N 75 122.825 123.035 -0.210 1
1 780 . 20 1 1 A 76 76 LEU H H 76 7.353 8.374 -1.021 1
1 781 . 20 1 1 A 76 76 LEU HA H 76 4.003 4.061 -0.058 1
1 791 . 20 1 1 A 76 76 LEU CA C 76 57.687 57.839 -0.152 1
1 792 . 20 1 1 A 76 76 LEU CB C 76 42.753 41.617 1.136 1
1 796 . 20 1 1 A 76 76 LEU N N 76 116.756 120.573 -3.817 1
1 797 . 20 1 1 A 77 77 GLU H H 77 7.420 8.520 -1.100 1
1 798 . 20 1 1 A 77 77 GLU HA H 77 4.575 4.044 0.531 1
1 803 . 20 1 1 A 77 77 GLU CA C 77 57.962 58.696 -0.734 1
1 804 . 20 1 1 A 77 77 GLU CB C 77 28.292 28.549 -0.257 1
1 806 . 20 1 1 A 77 77 GLU N N 77 121.356 117.753 3.603 1
1 807 . 20 1 1 A 78 78 ASP H H 78 8.637 7.598 1.039 1
1 808 . 20 1 1 A 78 78 ASP HA H 78 4.399 4.385 0.014 1
1 811 . 20 1 1 A 78 78 ASP CA C 78 57.569 56.499 1.070 1
1 812 . 20 1 1 A 78 78 ASP CB C 78 40.715 40.978 -0.263 1
1 813 . 20 1 1 A 78 78 ASP N N 78 123.396 120.764 2.632 1
1 814 . 20 1 1 A 79 79 GLU H H 79 7.773 7.992 -0.219 1
1 815 . 20 1 1 A 79 79 GLU HA H 79 4.283 4.384 -0.101 1
1 820 . 20 1 1 A 79 79 GLU CA C 79 56.357 56.267 0.090 1
1 821 . 20 1 1 A 79 79 GLU CB C 79 30.855 30.751 0.104 1
1 823 . 20 1 1 A 79 79 GLU N N 79 115.336 116.191 -0.855 1
1 824 . 20 1 1 A 80 80 GLY H H 80 8.050 8.033 0.017 1
1 825 . 20 1 1 A 80 80 GLY HA2 H 80 4.031 3.981 0.050 1
1 826 . 20 1 1 A 80 80 GLY HA3 H 80 4.031 3.982 0.049 1
1 827 . 20 1 1 A 80 80 GLY CA C 80 46.314 46.235 0.079 1
1 828 . 20 1 1 A 80 80 GLY N N 80 108.957 108.591 0.366 1
1 829 . 20 1 1 A 81 81 LYS H H 81 8.188 7.713 0.475 1
1 830 . 20 1 1 A 81 81 LYS HA H 81 4.415 4.396 0.019 1
1 839 . 20 1 1 A 81 81 LYS CA C 81 56.716 56.282 0.434 1
1 840 . 20 1 1 A 81 81 LYS CB C 81 35.935 33.742 2.193 1
1 844 . 20 1 1 A 81 81 LYS N N 81 116.879 117.802 -0.923 1
1 845 . 20 1 1 A 82 82 LEU H H 82 7.499 7.863 -0.364 1
1 846 . 20 1 1 A 82 82 LEU HA H 82 3.977 4.021 -0.044 1
1 856 . 20 1 1 A 82 82 LEU CA C 82 57.480 58.343 -0.863 1
1 857 . 20 1 1 A 82 82 LEU CB C 82 40.489 41.424 -0.935 1
1 861 . 20 1 1 A 82 82 LEU N N 82 122.734 122.136 0.598 1
1 862 . 20 1 1 A 83 83 ASP H H 83 8.625 8.256 0.369 1
1 863 . 20 1 1 A 83 83 ASP HA H 83 4.248 4.367 -0.119 1
1 866 . 20 1 1 A 83 83 ASP CA C 83 58.680 57.770 0.910 1
1 867 . 20 1 1 A 83 83 ASP CB C 83 40.149 41.922 -1.773 1
1 868 . 20 1 1 A 83 83 ASP N N 83 119.728 119.339 0.389 1
1 869 . 20 1 1 A 84 84 SER H H 84 8.426 7.710 0.716 1
1 870 . 20 1 1 A 84 84 SER HA H 84 4.219 4.246 -0.027 1
1 873 . 20 1 1 A 84 84 SER CA C 84 61.473 61.791 -0.318 1
1 874 . 20 1 1 A 84 84 SER CB C 84 62.589 63.004 -0.415 1
1 875 . 20 1 1 A 84 84 SER N N 84 113.454 116.075 -2.621 1
1 876 . 20 1 1 A 85 85 LEU H H 85 7.551 8.032 -0.481 1
1 877 . 20 1 1 A 85 85 LEU HA H 85 4.319 4.362 -0.043 1
1 887 . 20 1 1 A 85 85 LEU CA C 85 58.355 57.660 0.695 1
1 888 . 20 1 1 A 85 85 LEU CB C 85 41.588 41.491 0.097 1
1 892 . 20 1 1 A 85 85 LEU N N 85 126.500 121.905 4.595 1
1 893 . 20 1 1 A 86 86 LEU H H 86 8.382 8.061 0.321 1
1 894 . 20 1 1 A 86 86 LEU HA H 86 3.827 4.063 -0.236 1
1 904 . 20 1 1 A 86 86 LEU CA C 86 57.826 57.052 0.774 1
1 905 . 20 1 1 A 86 86 LEU CB C 86 41.840 41.596 0.244 1
1 909 . 20 1 1 A 86 86 LEU N N 86 117.962 120.316 -2.354 1
1 910 . 20 1 1 A 87 87 LYS H H 87 7.522 7.410 0.112 1
1 911 . 20 1 1 A 87 87 LYS HA H 87 4.331 4.263 0.068 1
1 920 . 20 1 1 A 87 87 LYS CA C 87 58.325 58.304 0.021 1
1 921 . 20 1 1 A 87 87 LYS CB C 87 34.043 33.001 1.042 1
1 925 . 20 1 1 A 87 87 LYS N N 87 114.198 119.323 -5.125 1
1 926 . 20 1 1 A 88 88 THR H H 88 8.165 7.968 0.197 1
1 927 . 20 1 1 A 88 88 THR HA H 88 4.507 4.433 0.074 1
1 932 . 20 1 1 A 88 88 THR CA C 88 62.385 62.615 -0.230 1
1 933 . 20 1 1 A 88 88 THR CB C 88 72.525 70.495 2.030 1
1 935 . 20 1 1 A 88 88 THR N N 88 106.021 109.239 -3.218 1
1 936 . 20 1 1 A 89 89 GLY H H 89 9.139 9.330 -0.191 1
1 937 . 20 1 1 A 89 89 GLY HA2 H 89 3.612 3.884 -0.272 1
1 938 . 20 1 1 A 89 89 GLY HA3 H 89 4.204 3.892 0.312 1
1 939 . 20 1 1 A 89 89 GLY CA C 89 46.770 45.697 1.073 1
1 940 . 20 1 1 A 89 89 GLY N N 89 112.926 112.023 0.903 1
1 941 . 20 1 1 A 90 90 LYS H H 90 7.933 7.108 0.825 1
1 942 . 20 1 1 A 90 90 LYS HA H 90 4.459 4.651 -0.192 1
1 951 . 20 1 1 A 90 90 LYS CA C 90 54.576 55.045 -0.469 1
1 952 . 20 1 1 A 90 90 LYS CB C 90 35.788 34.236 1.552 1
1 956 . 20 1 1 A 90 90 LYS N N 90 117.810 115.634 2.176 1
1 957 . 20 1 1 A 91 91 LEU H H 91 8.487 8.796 -0.309 1
1 958 . 20 1 1 A 91 91 LEU HA H 91 4.423 4.350 0.073 1
1 968 . 20 1 1 A 91 91 LEU CA C 91 54.491 54.890 -0.399 1
1 969 . 20 1 1 A 91 91 LEU CB C 91 43.083 41.031 2.052 1
1 973 . 20 1 1 A 91 91 LEU N N 91 123.364 122.157 1.207 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 89 1.014 1
3 1 1 1 "RMS(OBS, PRED)" CB 80 1.376 1
4 1 1 1 "RMS(OBS, PRED)" H 84 0.612 1
5 1 1 1 "RMS(OBS, PRED)" HA 99 0.357 1
6 1 1 1 "RMS(OBS, PRED)" N 84 3.113 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 89 1.008 1
9 1 2 1 "RMS(OBS, PRED)" CB 80 1.377 1
10 1 2 1 "RMS(OBS, PRED)" H 84 0.619 1
11 1 2 1 "RMS(OBS, PRED)" HA 99 0.372 1
12 1 2 1 "RMS(OBS, PRED)" N 84 3.071 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 89 1.034 1
15 1 3 1 "RMS(OBS, PRED)" CB 80 1.425 1
16 1 3 1 "RMS(OBS, PRED)" H 84 0.594 1
17 1 3 1 "RMS(OBS, PRED)" HA 99 0.368 1
18 1 3 1 "RMS(OBS, PRED)" N 84 3.121 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 89 1.034 1
21 1 4 1 "RMS(OBS, PRED)" CB 80 1.419 1
22 1 4 1 "RMS(OBS, PRED)" H 84 0.630 1
23 1 4 1 "RMS(OBS, PRED)" HA 99 0.356 1
24 1 4 1 "RMS(OBS, PRED)" N 84 3.348 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 89 1.043 1
27 1 5 1 "RMS(OBS, PRED)" CB 80 1.440 1
28 1 5 1 "RMS(OBS, PRED)" H 84 0.582 1
29 1 5 1 "RMS(OBS, PRED)" HA 99 0.371 1
30 1 5 1 "RMS(OBS, PRED)" N 84 3.369 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 89 1.036 1
33 1 6 1 "RMS(OBS, PRED)" CB 80 1.377 1
34 1 6 1 "RMS(OBS, PRED)" H 84 0.614 1
35 1 6 1 "RMS(OBS, PRED)" HA 99 0.380 1
36 1 6 1 "RMS(OBS, PRED)" N 84 3.350 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 89 1.005 1
39 1 7 1 "RMS(OBS, PRED)" CB 80 1.304 1
40 1 7 1 "RMS(OBS, PRED)" H 84 0.628 1
41 1 7 1 "RMS(OBS, PRED)" HA 99 0.343 1
42 1 7 1 "RMS(OBS, PRED)" N 84 3.074 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 89 1.015 1
45 1 8 1 "RMS(OBS, PRED)" CB 80 1.457 1
46 1 8 1 "RMS(OBS, PRED)" H 84 0.575 1
47 1 8 1 "RMS(OBS, PRED)" HA 99 0.382 1
48 1 8 1 "RMS(OBS, PRED)" N 84 3.308 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 89 1.060 1
51 1 9 1 "RMS(OBS, PRED)" CB 80 1.378 1
52 1 9 1 "RMS(OBS, PRED)" H 84 0.605 1
53 1 9 1 "RMS(OBS, PRED)" HA 99 0.391 1
54 1 9 1 "RMS(OBS, PRED)" N 84 3.297 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 89 1.057 1
57 1 10 1 "RMS(OBS, PRED)" CB 80 1.360 1
58 1 10 1 "RMS(OBS, PRED)" H 84 0.593 1
59 1 10 1 "RMS(OBS, PRED)" HA 99 0.381 1
60 1 10 1 "RMS(OBS, PRED)" N 84 3.353 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 89 1.054 1
63 1 11 1 "RMS(OBS, PRED)" CB 80 1.255 1
64 1 11 1 "RMS(OBS, PRED)" H 84 0.630 1
65 1 11 1 "RMS(OBS, PRED)" HA 99 0.355 1
66 1 11 1 "RMS(OBS, PRED)" N 84 3.101 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 89 1.011 1
69 1 12 1 "RMS(OBS, PRED)" CB 80 1.381 1
70 1 12 1 "RMS(OBS, PRED)" H 84 0.603 1
71 1 12 1 "RMS(OBS, PRED)" HA 99 0.372 1
72 1 12 1 "RMS(OBS, PRED)" N 84 3.381 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 89 1.070 1
75 1 13 1 "RMS(OBS, PRED)" CB 80 1.432 1
76 1 13 1 "RMS(OBS, PRED)" H 84 0.572 1
77 1 13 1 "RMS(OBS, PRED)" HA 99 0.377 1
78 1 13 1 "RMS(OBS, PRED)" N 84 3.454 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 89 1.041 1
81 1 14 1 "RMS(OBS, PRED)" CB 80 1.330 1
82 1 14 1 "RMS(OBS, PRED)" H 84 0.611 1
83 1 14 1 "RMS(OBS, PRED)" HA 99 0.358 1
84 1 14 1 "RMS(OBS, PRED)" N 84 3.377 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 89 1.087 1
87 1 15 1 "RMS(OBS, PRED)" CB 80 1.413 1
88 1 15 1 "RMS(OBS, PRED)" H 84 0.607 1
89 1 15 1 "RMS(OBS, PRED)" HA 99 0.395 1
90 1 15 1 "RMS(OBS, PRED)" N 84 3.308 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 89 1.024 1
93 1 16 1 "RMS(OBS, PRED)" CB 80 1.310 1
94 1 16 1 "RMS(OBS, PRED)" H 84 0.612 1
95 1 16 1 "RMS(OBS, PRED)" HA 99 0.357 1
96 1 16 1 "RMS(OBS, PRED)" N 84 3.131 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 89 1.032 1
99 1 17 1 "RMS(OBS, PRED)" CB 80 1.423 1
100 1 17 1 "RMS(OBS, PRED)" H 84 0.629 1
101 1 17 1 "RMS(OBS, PRED)" HA 99 0.339 1
102 1 17 1 "RMS(OBS, PRED)" N 84 3.128 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 89 1.014 1
105 1 18 1 "RMS(OBS, PRED)" CB 80 1.443 1
106 1 18 1 "RMS(OBS, PRED)" H 84 0.624 1
107 1 18 1 "RMS(OBS, PRED)" HA 99 0.354 1
108 1 18 1 "RMS(OBS, PRED)" N 84 3.385 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 89 1.069 1
111 1 19 1 "RMS(OBS, PRED)" CB 80 1.336 1
112 1 19 1 "RMS(OBS, PRED)" H 84 0.613 1
113 1 19 1 "RMS(OBS, PRED)" HA 99 0.369 1
114 1 19 1 "RMS(OBS, PRED)" N 84 3.294 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 89 1.031 1
117 1 20 1 "RMS(OBS, PRED)" CB 80 1.413 1
118 1 20 1 "RMS(OBS, PRED)" H 84 0.587 1
119 1 20 1 "RMS(OBS, PRED)" HA 99 0.367 1
120 1 20 1 "RMS(OBS, PRED)" N 84 3.284 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 PRO HA H 2 4.444 4.442 0.002 2
1 8 . 1 1 A 2 2 PRO CA C 2 63.468 63.550 -0.082 2
1 9 . 1 1 A 2 2 PRO CB C 2 32.153 31.785 0.368 2
1 12 . 1 1 A 3 3 GLY H H 3 8.672 8.277 0.395 2
1 13 . 1 1 A 3 3 GLY HA2 H 3 4.759 4.085 0.674 2
1 14 . 1 1 A 3 3 GLY HA3 H 3 4.759 4.085 0.674 2
1 15 . 1 1 A 3 3 GLY CA C 3 45.323 45.553 -0.230 2
1 16 . 1 1 A 3 3 GLY N N 3 110.465 109.937 0.528 2
1 17 . 1 1 A 4 4 SER H H 4 8.201 8.423 -0.222 2
1 18 . 1 1 A 4 4 SER HA H 4 4.454 4.744 -0.290 2
1 21 . 1 1 A 4 4 SER CA C 4 58.370 58.320 0.050 2
1 22 . 1 1 A 4 4 SER CB C 4 64.049 64.439 -0.390 2
1 23 . 1 1 A 4 4 SER N N 4 115.747 116.916 -1.169 2
1 24 . 1 1 A 5 5 MET H H 5 8.315 8.261 0.054 2
1 25 . 1 1 A 5 5 MET HA H 5 4.675 5.011 -0.336 2
1 30 . 1 1 A 5 5 MET CA C 5 55.466 54.402 1.064 2
1 31 . 1 1 A 5 5 MET CB C 5 34.462 36.369 -1.907 2
1 33 . 1 1 A 5 5 MET N N 5 121.679 121.350 0.329 2
1 34 . 1 1 A 6 6 VAL H H 6 8.169 8.691 -0.522 2
1 35 . 1 1 A 6 6 VAL HA H 6 4.141 4.826 -0.685 2
1 43 . 1 1 A 6 6 VAL CA C 6 61.395 59.024 2.371 2
1 44 . 1 1 A 6 6 VAL CB C 6 32.669 35.388 -2.719 2
1 47 . 1 1 A 6 6 VAL N N 6 118.330 117.127 1.203 2
1 48 . 1 1 A 7 7 ASP H H 7 8.335 8.698 -0.363 2
1 49 . 1 1 A 7 7 ASP HA H 7 4.526 4.784 -0.258 2
1 52 . 1 1 A 7 7 ASP CA C 7 55.023 54.710 0.313 2
1 53 . 1 1 A 7 7 ASP CB C 7 41.455 41.200 0.255 2
1 54 . 1 1 A 7 7 ASP N N 7 122.032 122.796 -0.764 2
1 55 . 1 1 A 8 8 VAL H H 8 8.662 8.975 -0.313 2
1 56 . 1 1 A 8 8 VAL HA H 8 4.947 5.031 -0.084 2
1 64 . 1 1 A 8 8 VAL CA C 8 61.415 61.416 -0.001 2
1 65 . 1 1 A 8 8 VAL CB C 8 33.703 33.799 -0.096 2
1 68 . 1 1 A 8 8 VAL N N 8 124.216 125.693 -1.477 2
1 69 . 1 1 A 9 9 ILE H H 9 9.311 9.286 0.025 2
1 70 . 1 1 A 9 9 ILE HA H 9 4.963 5.105 -0.142 2
1 80 . 1 1 A 9 9 ILE CA C 9 59.648 59.758 -0.110 2
1 81 . 1 1 A 9 9 ILE CB C 9 41.374 41.601 -0.227 2
1 85 . 1 1 A 9 9 ILE N N 9 129.869 127.149 2.720 2
1 86 . 1 1 A 10 10 ILE H H 10 8.720 9.342 -0.622 2
1 87 . 1 1 A 10 10 ILE HA H 10 5.442 5.330 0.112 2
1 97 . 1 1 A 10 10 ILE CA C 10 58.153 58.434 -0.281 2
1 98 . 1 1 A 10 10 ILE CB C 10 41.947 41.365 0.582 2
1 102 . 1 1 A 10 10 ILE N N 10 123.598 128.258 -4.660 2
1 103 . 1 1 A 11 11 TYR H H 11 9.340 8.847 0.493 2
1 104 . 1 1 A 11 11 TYR HA H 11 5.667 5.623 0.044 2
1 111 . 1 1 A 11 11 TYR CA C 11 57.300 56.314 0.986 2
1 112 . 1 1 A 11 11 TYR CB C 11 40.550 40.475 0.075 2
1 113 . 1 1 A 11 11 TYR N N 11 128.888 127.799 1.090 2
1 114 . 1 1 A 12 12 THR H H 12 9.374 8.779 0.595 2
1 115 . 1 1 A 12 12 THR HA H 12 5.277 5.018 0.259 2
1 120 . 1 1 A 12 12 THR CA C 12 59.567 59.749 -0.182 2
1 121 . 1 1 A 12 12 THR CB C 12 72.183 72.222 -0.039 2
1 123 . 1 1 A 12 12 THR N N 12 112.083 115.186 -3.103 2
1 124 . 1 1 A 13 13 ARG H H 13 7.379 8.499 -1.121 2
1 125 . 1 1 A 13 13 ARG HA H 13 4.779 4.892 -0.113 2
1 132 . 1 1 A 13 13 ARG CA C 13 52.961 53.661 -0.700 2
1 133 . 1 1 A 13 13 ARG CB C 13 31.374 32.411 -1.037 2
1 136 . 1 1 A 13 13 ARG N N 13 113.131 121.414 -8.283 2
1 137 . 1 1 A 14 14 PRO HA H 14 4.276 4.377 -0.101 2
1 144 . 1 1 A 14 14 PRO CA C 14 63.498 63.391 0.107 2
1 145 . 1 1 A 14 14 PRO CB C 14 32.015 30.707 1.308 2
1 148 . 1 1 A 15 15 GLY H H 15 8.672 8.700 -0.028 2
1 149 . 1 1 A 15 15 GLY HA2 H 15 3.946 3.974 -0.028 2
1 150 . 1 1 A 15 15 GLY HA3 H 15 3.946 3.979 -0.033 2
1 151 . 1 1 A 15 15 GLY N N 15 110.274 112.109 -1.835 2
1 152 . 1 1 A 16 16 CYS H H 16 6.985 7.582 -0.597 2
1 153 . 1 1 A 16 16 CYS HA H 16 4.769 4.773 -0.004 2
1 156 . 1 1 A 16 16 CYS CA C 16 56.315 56.212 0.103 2
1 157 . 1 1 A 16 16 CYS CB C 16 31.724 29.692 2.032 2
1 158 . 1 1 A 16 16 CYS N N 16 124.357 118.291 6.066 2
1 159 . 1 1 A 17 17 PRO HA H 17 4.417 4.294 0.123 2
1 166 . 1 1 A 17 17 PRO CA C 17 64.516 65.370 -0.853 2
1 167 . 1 1 A 17 17 PRO CB C 17 32.205 31.685 0.520 2
1 170 . 1 1 A 18 18 TYR H H 18 9.273 7.589 1.684 2
1 171 . 1 1 A 18 18 TYR HA H 18 4.375 4.242 0.133 2
1 178 . 1 1 A 18 18 TYR CA C 18 61.227 61.325 -0.098 2
1 179 . 1 1 A 18 18 TYR CB C 18 38.025 37.548 0.477 2
1 180 . 1 1 A 18 18 TYR N N 18 127.619 117.504 10.116 2
1 181 . 1 1 A 19 19 CYS H H 19 9.854 8.243 1.611 2
1 182 . 1 1 A 19 19 CYS HA H 19 3.870 4.078 -0.208 2
1 185 . 1 1 A 19 19 CYS CA C 19 64.810 63.113 1.697 2
1 186 . 1 1 A 19 19 CYS CB C 19 29.498 27.304 2.194 2
1 187 . 1 1 A 19 19 CYS N N 19 128.016 118.884 9.132 2
1 188 . 1 1 A 20 20 ALA H H 20 7.948 7.911 0.037 2
1 189 . 1 1 A 20 20 ALA HA H 20 3.995 3.992 0.003 2
1 193 . 1 1 A 20 20 ALA CA C 20 55.804 55.388 0.416 2
1 194 . 1 1 A 20 20 ALA CB C 20 18.201 18.499 -0.298 2
1 195 . 1 1 A 20 20 ALA N N 20 121.373 122.363 -0.990 2
1 196 . 1 1 A 21 21 ARG H H 21 8.064 7.900 0.164 2
1 197 . 1 1 A 21 21 ARG HA H 21 4.159 4.077 0.082 2
1 204 . 1 1 A 21 21 ARG CA C 21 59.500 59.562 -0.062 2
1 205 . 1 1 A 21 21 ARG CB C 21 30.535 30.241 0.294 2
1 208 . 1 1 A 21 21 ARG N N 21 119.886 117.784 2.102 2
1 209 . 1 1 A 22 22 ALA H H 22 8.342 7.775 0.567 2
1 210 . 1 1 A 22 22 ALA HA H 22 4.174 4.175 -0.001 2
1 214 . 1 1 A 22 22 ALA CA C 22 55.658 55.328 0.330 2
1 215 . 1 1 A 22 22 ALA CB C 22 19.485 18.311 1.174 2
1 216 . 1 1 A 22 22 ALA N N 22 125.852 121.721 4.131 2
1 217 . 1 1 A 23 23 LYS H H 23 7.968 8.227 -0.259 2
1 218 . 1 1 A 23 23 LYS HA H 23 3.243 3.811 -0.568 2
1 227 . 1 1 A 23 23 LYS CA C 23 60.699 59.330 1.369 2
1 228 . 1 1 A 23 23 LYS CB C 23 31.640 32.417 -0.777 2
1 232 . 1 1 A 23 23 LYS N N 23 116.539 117.208 -0.669 2
1 233 . 1 1 A 24 24 ALA H H 24 8.027 8.175 -0.148 2
1 234 . 1 1 A 24 24 ALA HA H 24 4.152 4.164 -0.012 2
1 238 . 1 1 A 24 24 ALA CA C 24 55.067 55.090 -0.023 2
1 239 . 1 1 A 24 24 ALA CB C 24 18.039 18.323 -0.284 2
1 240 . 1 1 A 24 24 ALA N N 24 120.099 122.318 -2.219 2
1 241 . 1 1 A 25 25 LEU H H 25 7.184 8.230 -1.046 2
1 242 . 1 1 A 25 25 LEU HA H 25 4.089 4.121 -0.032 2
1 252 . 1 1 A 25 25 LEU CA C 25 57.761 57.923 -0.162 2
1 253 . 1 1 A 25 25 LEU CB C 25 40.444 41.699 -1.255 2
1 257 . 1 1 A 25 25 LEU N N 25 119.676 119.632 0.044 2
1 258 . 1 1 A 26 26 LEU H H 26 7.477 8.264 -0.787 2
1 259 . 1 1 A 26 26 LEU HA H 26 3.701 4.118 -0.417 2
1 269 . 1 1 A 26 26 LEU CA C 26 58.523 57.846 0.677 2
1 270 . 1 1 A 26 26 LEU CB C 26 41.105 40.685 0.420 2
1 274 . 1 1 A 26 26 LEU N N 26 117.225 118.538 -1.313 2
1 275 . 1 1 A 27 27 ALA H H 27 8.657 8.304 0.353 2
1 276 . 1 1 A 27 27 ALA HA H 27 4.368 4.153 0.215 2
1 280 . 1 1 A 27 27 ALA CA C 27 55.066 55.076 -0.010 2
1 281 . 1 1 A 27 27 ALA CB C 27 18.137 18.296 -0.159 2
1 282 . 1 1 A 27 27 ALA N N 27 119.692 122.099 -2.407 2
1 283 . 1 1 A 28 28 ARG H H 28 8.048 7.991 0.057 2
1 284 . 1 1 A 28 28 ARG HA H 28 4.110 4.061 0.049 2
1 291 . 1 1 A 28 28 ARG CA C 28 59.249 59.264 -0.015 2
1 292 . 1 1 A 28 28 ARG CB C 28 29.962 29.877 0.085 2
1 295 . 1 1 A 28 28 ARG N N 28 121.433 118.937 2.496 2
1 296 . 1 1 A 29 29 LYS H H 29 7.660 7.725 -0.065 2
1 297 . 1 1 A 29 29 LYS HA H 29 4.192 4.264 -0.072 2
1 306 . 1 1 A 29 29 LYS CA C 29 54.864 55.790 -0.926 2
1 307 . 1 1 A 29 29 LYS CB C 29 31.476 32.258 -0.782 2
1 311 . 1 1 A 29 29 LYS N N 29 115.942 115.739 0.203 2
1 312 . 1 1 A 30 30 GLY H H 30 7.919 7.932 -0.013 2
1 313 . 1 1 A 30 30 GLY HA2 H 30 3.734 3.966 -0.232 2
1 314 . 1 1 A 30 30 GLY HA3 H 30 4.013 3.969 0.044 2
1 315 . 1 1 A 30 30 GLY CA C 30 45.497 45.458 0.039 2
1 316 . 1 1 A 30 30 GLY N N 30 107.837 108.799 -0.962 2
1 317 . 1 1 A 31 31 ALA H H 31 7.830 7.844 -0.014 2
1 318 . 1 1 A 31 31 ALA HA H 31 4.446 4.349 0.097 2
1 322 . 1 1 A 31 31 ALA CA C 31 51.562 52.093 -0.531 2
1 323 . 1 1 A 31 31 ALA CB C 31 19.964 19.545 0.419 2
1 324 . 1 1 A 31 31 ALA N N 31 122.333 123.850 -1.517 2
1 325 . 1 1 A 32 32 GLU H H 32 8.322 8.642 -0.320 2
1 326 . 1 1 A 32 32 GLU HA H 32 4.173 4.368 -0.195 2
1 331 . 1 1 A 32 32 GLU CA C 32 55.621 56.431 -0.810 2
1 332 . 1 1 A 32 32 GLU CB C 32 29.734 30.300 -0.566 2
1 334 . 1 1 A 32 32 GLU N N 32 124.383 123.626 0.757 2
1 335 . 1 1 A 33 33 PHE H H 33 7.623 8.491 -0.868 2
1 336 . 1 1 A 33 33 PHE HA H 33 5.151 5.270 -0.119 2
1 344 . 1 1 A 33 33 PHE CA C 33 55.106 55.883 -0.778 2
1 345 . 1 1 A 33 33 PHE CB C 33 41.937 41.987 -0.050 2
1 346 . 1 1 A 33 33 PHE N N 33 116.953 118.240 -1.287 2
1 347 . 1 1 A 34 34 ASN H H 34 8.938 9.017 -0.079 2
1 348 . 1 1 A 34 34 ASN HA H 34 4.897 4.992 -0.095 2
1 353 . 1 1 A 34 34 ASN CA C 34 52.081 53.181 -1.100 2
1 354 . 1 1 A 34 34 ASN CB C 34 39.784 39.428 0.355 2
1 355 . 1 1 A 34 34 ASN N N 34 120.410 119.968 0.442 2
1 357 . 1 1 A 35 35 GLU H H 35 8.764 8.943 -0.179 2
1 358 . 1 1 A 35 35 GLU HA H 35 5.135 4.923 0.212 2
1 363 . 1 1 A 35 35 GLU CA C 35 54.519 55.985 -1.466 2
1 364 . 1 1 A 35 35 GLU CB C 35 31.306 30.686 0.620 2
1 366 . 1 1 A 35 35 GLU N N 35 126.769 127.070 -0.301 2
1 367 . 1 1 A 36 36 ILE H H 36 8.975 8.671 0.304 2
1 368 . 1 1 A 36 36 ILE HA H 36 4.108 4.711 -0.603 2
1 378 . 1 1 A 36 36 ILE CA C 36 60.156 59.019 1.137 2
1 379 . 1 1 A 36 36 ILE CB C 36 40.382 41.670 -1.288 2
1 383 . 1 1 A 36 36 ILE N N 36 130.393 127.347 3.046 2
1 384 . 1 1 A 37 37 ASP H H 37 8.494 8.653 -0.159 2
1 385 . 1 1 A 37 37 ASP HA H 37 4.965 5.068 -0.103 2
1 388 . 1 1 A 37 37 ASP CA C 37 52.537 53.018 -0.481 2
1 389 . 1 1 A 37 37 ASP CB C 37 39.350 42.626 -3.276 2
1 390 . 1 1 A 37 37 ASP N N 37 125.910 124.855 1.055 2
1 391 . 1 1 A 38 38 ALA H H 38 8.764 8.091 0.673 2
1 392 . 1 1 A 38 38 ALA HA H 38 4.621 4.355 0.266 2
1 396 . 1 1 A 38 38 ALA CA C 38 51.729 53.000 -1.271 2
1 397 . 1 1 A 38 38 ALA CB C 38 20.588 20.768 -0.180 2
1 398 . 1 1 A 38 38 ALA N N 38 130.164 123.865 6.299 2
1 399 . 1 1 A 39 39 SER H H 39 8.668 8.115 0.553 2
1 400 . 1 1 A 39 39 SER HA H 39 4.469 4.209 0.260 2
1 403 . 1 1 A 39 39 SER CA C 39 59.342 61.028 -1.686 2
1 404 . 1 1 A 39 39 SER CB C 39 64.938 63.070 1.868 2
1 405 . 1 1 A 39 39 SER N N 39 111.397 113.920 -2.523 2
1 406 . 1 1 A 40 40 ALA H H 40 7.466 7.755 -0.289 2
1 407 . 1 1 A 40 40 ALA HA H 40 4.136 4.097 0.039 2
1 411 . 1 1 A 40 40 ALA CA C 40 55.000 54.928 0.072 2
1 412 . 1 1 A 40 40 ALA CB C 40 20.463 18.932 1.531 2
1 413 . 1 1 A 40 40 ALA N N 40 124.335 122.203 2.132 2
1 414 . 1 1 A 41 41 THR H H 41 7.098 7.410 -0.312 2
1 415 . 1 1 A 41 41 THR HA H 41 4.978 4.891 0.086 2
1 420 . 1 1 A 41 41 THR CA C 41 57.841 58.805 -0.964 2
1 421 . 1 1 A 41 41 THR CB C 41 70.742 71.029 -0.287 2
1 423 . 1 1 A 41 41 THR N N 41 105.166 107.537 -2.371 2
1 424 . 1 1 A 42 42 PRO HA H 42 4.299 4.357 -0.058 2
1 431 . 1 1 A 42 42 PRO CA C 42 64.586 65.293 -0.707 2
1 432 . 1 1 A 42 42 PRO CB C 42 31.963 31.962 0.001 2
1 435 . 1 1 A 43 43 GLU H H 43 8.997 8.264 0.733 2
1 436 . 1 1 A 43 43 GLU HA H 43 4.052 4.109 -0.057 2
1 441 . 1 1 A 43 43 GLU CA C 43 60.694 59.567 1.127 2
1 442 . 1 1 A 43 43 GLU CB C 43 28.709 29.459 -0.750 2
1 444 . 1 1 A 43 43 GLU N N 43 118.804 118.157 0.647 2
1 445 . 1 1 A 44 44 LEU H H 44 7.882 8.449 -0.567 2
1 446 . 1 1 A 44 44 LEU HA H 44 4.285 4.089 0.196 2
1 456 . 1 1 A 44 44 LEU CA C 44 57.573 57.899 -0.326 2
1 457 . 1 1 A 44 44 LEU CB C 44 42.548 41.452 1.096 2
1 461 . 1 1 A 44 44 LEU N N 44 122.381 120.202 2.179 2
1 462 . 1 1 A 45 45 ARG H H 45 7.709 7.689 0.020 2
1 463 . 1 1 A 45 45 ARG HA H 45 4.026 4.136 -0.110 2
1 470 . 1 1 A 45 45 ARG CA C 45 60.055 58.984 1.071 2
1 471 . 1 1 A 45 45 ARG CB C 45 29.943 29.652 0.291 2
1 474 . 1 1 A 45 45 ARG N N 45 122.487 121.175 1.312 2
1 475 . 1 1 A 46 46 ALA H H 46 8.144 8.098 0.046 2
1 476 . 1 1 A 46 46 ALA HA H 46 4.074 4.203 -0.129 2
1 480 . 1 1 A 46 46 ALA CA C 46 54.865 55.400 -0.535 2
1 481 . 1 1 A 46 46 ALA CB C 46 17.777 18.375 -0.598 2
1 482 . 1 1 A 46 46 ALA N N 46 121.132 122.397 -1.265 2
1 483 . 1 1 A 47 47 GLU H H 47 7.902 8.292 -0.390 2
1 484 . 1 1 A 47 47 GLU HA H 47 3.995 4.088 -0.093 2
1 489 . 1 1 A 47 47 GLU CA C 47 59.524 59.276 0.248 2
1 490 . 1 1 A 47 47 GLU CB C 47 29.915 29.051 0.864 2
1 492 . 1 1 A 47 47 GLU N N 47 121.104 116.700 4.404 2
1 493 . 1 1 A 48 48 MET H H 48 7.984 7.999 -0.015 2
1 494 . 1 1 A 48 48 MET HA H 48 2.786 4.315 -1.529 2
1 499 . 1 1 A 48 48 MET CA C 48 59.662 58.535 1.127 2
1 500 . 1 1 A 48 48 MET CB C 48 33.701 32.853 0.848 2
1 502 . 1 1 A 48 48 MET N N 48 118.769 119.738 -0.969 2
1 503 . 1 1 A 49 49 GLN H H 49 8.209 8.338 -0.129 2
1 504 . 1 1 A 49 49 GLN HA H 49 4.299 4.219 0.080 2
1 511 . 1 1 A 49 49 GLN CA C 49 58.669 58.109 0.560 2
1 512 . 1 1 A 49 49 GLN CB C 49 28.742 27.745 0.997 2
1 514 . 1 1 A 49 49 GLN N N 49 122.155 117.415 4.740 2
1 516 . 1 1 A 50 50 GLU H H 50 8.671 7.938 0.733 2
1 517 . 1 1 A 50 50 GLU HA H 50 3.904 4.130 -0.226 2
1 522 . 1 1 A 50 50 GLU CA C 50 59.156 59.019 0.137 2
1 523 . 1 1 A 50 50 GLU CB C 50 29.504 29.269 0.235 2
1 525 . 1 1 A 50 50 GLU N N 50 122.081 120.368 1.713 2
1 526 . 1 1 A 51 51 ARG H H 51 8.244 7.867 0.377 2
1 527 . 1 1 A 51 51 ARG HA H 51 3.993 4.287 -0.294 2
1 534 . 1 1 A 51 51 ARG CA C 51 58.503 58.263 0.240 2
1 535 . 1 1 A 51 51 ARG CB C 51 31.363 30.816 0.547 2
1 538 . 1 1 A 51 51 ARG N N 51 115.848 119.566 -3.718 2
1 539 . 1 1 A 52 52 SER H H 52 7.994 7.631 0.363 2
1 540 . 1 1 A 52 52 SER HA H 52 3.674 4.269 -0.595 2
1 543 . 1 1 A 52 52 SER CA C 52 58.897 59.013 -0.116 2
1 544 . 1 1 A 52 52 SER CB C 52 66.908 63.765 3.143 2
1 545 . 1 1 A 52 52 SER N N 52 109.721 111.778 -2.057 2
1 546 . 1 1 A 53 53 GLY H H 53 8.205 8.972 -0.767 2
1 547 . 1 1 A 53 53 GLY HA2 H 53 3.815 3.852 -0.037 2
1 548 . 1 1 A 53 53 GLY HA3 H 53 4.063 3.879 0.184 2
1 549 . 1 1 A 53 53 GLY CA C 53 46.182 45.796 0.386 2
1 550 . 1 1 A 53 53 GLY N N 53 112.716 109.873 2.843 2
1 551 . 1 1 A 54 54 ARG H H 54 8.323 7.565 0.758 2
1 552 . 1 1 A 54 54 ARG HA H 54 4.595 4.786 -0.191 2
1 559 . 1 1 A 54 54 ARG CA C 54 54.426 53.884 0.542 2
1 560 . 1 1 A 54 54 ARG CB C 54 35.418 33.749 1.669 2
1 563 . 1 1 A 54 54 ARG N N 54 119.629 119.842 -0.213 2
1 564 . 1 1 A 55 55 ASN H H 55 8.184 8.766 -0.582 2
1 565 . 1 1 A 55 55 ASN HA H 55 4.692 4.481 0.211 2
1 570 . 1 1 A 55 55 ASN CA C 55 51.458 56.266 -4.808 2
1 571 . 1 1 A 55 55 ASN N N 55 112.763 119.343 -6.580 2
1 573 . 1 1 A 56 56 THR H H 56 6.730 7.739 -1.009 2
1 574 . 1 1 A 56 56 THR HA H 56 4.309 4.882 -0.573 2
1 579 . 1 1 A 56 56 THR CA C 56 59.120 61.271 -2.151 2
1 580 . 1 1 A 56 56 THR CB C 56 70.754 71.724 -0.970 2
1 582 . 1 1 A 56 56 THR N N 56 107.946 109.779 -1.833 2
1 583 . 1 1 A 57 57 PHE H H 57 8.568 9.049 -0.481 2
1 584 . 1 1 A 57 57 PHE HA H 57 4.641 5.119 -0.478 2
1 592 . 1 1 A 57 57 PHE CA C 57 54.923 55.334 -0.411 2
1 593 . 1 1 A 57 57 PHE CB C 57 41.272 40.606 0.666 2
1 594 . 1 1 A 57 57 PHE N N 57 117.566 120.213 -2.647 2
1 595 . 1 1 A 58 58 PRO HA H 58 5.604 4.651 0.953 2
1 602 . 1 1 A 58 58 PRO CA C 58 62.749 62.689 0.060 2
1 603 . 1 1 A 58 58 PRO CB C 58 36.563 31.826 4.737 2
1 606 . 1 1 A 59 59 GLN H H 59 7.926 8.396 -0.470 2
1 607 . 1 1 A 59 59 GLN HA H 59 4.813 4.729 0.085 2
1 614 . 1 1 A 59 59 GLN CA C 59 55.111 54.879 0.232 2
1 615 . 1 1 A 59 59 GLN CB C 59 31.737 30.166 1.571 2
1 617 . 1 1 A 59 59 GLN N N 59 112.301 121.389 -9.088 2
1 619 . 1 1 A 60 60 ILE H H 60 8.936 8.898 0.038 2
1 620 . 1 1 A 60 60 ILE HA H 60 4.933 4.287 0.646 2
1 630 . 1 1 A 60 60 ILE CA C 60 61.288 60.077 1.211 2
1 631 . 1 1 A 60 60 ILE CB C 60 40.912 38.768 2.144 2
1 635 . 1 1 A 60 60 ILE N N 60 123.133 124.057 -0.924 2
1 636 . 1 1 A 61 61 PHE H H 61 9.629 8.960 0.669 2
1 637 . 1 1 A 61 61 PHE HA H 61 5.354 5.205 0.149 2
1 645 . 1 1 A 61 61 PHE CA C 61 56.630 57.045 -0.415 2
1 646 . 1 1 A 61 61 PHE CB C 61 41.883 40.325 1.558 2
1 647 . 1 1 A 61 61 PHE N N 61 128.347 126.702 1.645 2
1 648 . 1 1 A 62 62 ILE H H 62 9.070 8.880 0.190 2
1 649 . 1 1 A 62 62 ILE HA H 62 4.587 4.592 -0.005 2
1 659 . 1 1 A 62 62 ILE CA C 62 60.903 60.218 0.685 2
1 660 . 1 1 A 62 62 ILE CB C 62 39.789 39.539 0.250 2
1 664 . 1 1 A 62 62 ILE N N 62 122.709 123.778 -1.069 2
1 665 . 1 1 A 63 63 GLY H H 63 9.303 8.777 0.526 2
1 666 . 1 1 A 63 63 GLY HA2 H 63 3.889 3.890 -0.001 2
1 667 . 1 1 A 63 63 GLY HA3 H 63 4.081 3.890 0.191 2
1 668 . 1 1 A 63 63 GLY CA C 63 47.216 47.356 -0.140 2
1 669 . 1 1 A 63 63 GLY N N 63 116.351 118.035 -1.684 2
1 670 . 1 1 A 64 64 SER H H 64 9.242 8.305 0.937 2
1 671 . 1 1 A 64 64 SER HA H 64 4.525 4.602 -0.077 2
1 674 . 1 1 A 64 64 SER CA C 64 59.046 57.856 1.190 2
1 675 . 1 1 A 64 64 SER CB C 64 63.900 64.041 -0.141 2
1 676 . 1 1 A 64 64 SER N N 64 122.307 121.346 0.961 2
1 677 . 1 1 A 65 65 VAL H H 65 8.475 7.622 0.853 2
1 678 . 1 1 A 65 65 VAL HA H 65 4.013 4.785 -0.772 2
1 686 . 1 1 A 65 65 VAL CA C 65 62.737 60.457 2.280 2
1 687 . 1 1 A 65 65 VAL CB C 65 33.308 35.700 -2.392 2
1 690 . 1 1 A 65 65 VAL N N 65 124.659 121.198 3.461 2
1 691 . 1 1 A 66 66 HIS H H 66 8.968 9.003 -0.035 2
1 692 . 1 1 A 66 66 HIS HA H 66 4.337 5.260 -0.923 2
1 698 . 1 1 A 66 66 HIS CA C 66 54.409 54.594 -0.185 2
1 699 . 1 1 A 66 66 HIS CB C 66 31.099 30.569 0.530 2
1 700 . 1 1 A 66 66 HIS N N 66 128.172 126.410 1.762 2
1 701 . 1 1 A 67 67 VAL H H 67 8.148 8.895 -0.747 2
1 702 . 1 1 A 67 67 VAL HA H 67 3.329 3.691 -0.362 2
1 710 . 1 1 A 67 67 VAL CA C 67 64.129 65.521 -1.392 2
1 711 . 1 1 A 67 67 VAL CB C 67 32.554 32.229 0.325 2
1 714 . 1 1 A 67 67 VAL N N 67 130.509 127.505 3.004 2
1 715 . 1 1 A 68 68 GLY H H 68 6.365 7.373 -1.008 2
1 716 . 1 1 A 68 68 GLY HA2 H 68 3.003 4.053 -1.050 2
1 717 . 1 1 A 68 68 GLY HA3 H 68 4.513 4.160 0.353 2
1 718 . 1 1 A 68 68 GLY CA C 68 43.722 45.886 -2.164 2
1 719 . 1 1 A 68 68 GLY N N 68 102.729 105.809 -3.080 2
1 720 . 1 1 A 69 69 GLY H H 69 9.087 8.523 0.564 2
1 721 . 1 1 A 69 69 GLY HA2 H 69 3.752 4.158 -0.406 2
1 722 . 1 1 A 69 69 GLY HA3 H 69 4.633 4.415 0.218 2
1 723 . 1 1 A 69 69 GLY CA C 69 43.851 45.207 -1.356 2
1 724 . 1 1 A 69 69 GLY N N 69 110.274 111.950 -1.676 2
1 725 . 1 1 A 70 70 CYS H H 70 8.467 8.886 -0.419 2
1 726 . 1 1 A 70 70 CYS HA H 70 3.806 4.145 -0.339 2
1 729 . 1 1 A 70 70 CYS CA C 70 63.366 62.258 1.108 2
1 730 . 1 1 A 70 70 CYS CB C 70 27.642 26.869 0.773 2
1 731 . 1 1 A 70 70 CYS N N 70 118.787 119.042 -0.255 2
1 732 . 1 1 A 71 71 ASP HA H 71 4.398 4.269 0.129 2
1 735 . 1 1 A 71 71 ASP CA C 71 57.405 57.597 -0.192 2
1 736 . 1 1 A 71 71 ASP CB C 71 39.058 41.328 -2.270 2
1 737 . 1 1 A 72 72 ASP H H 72 7.266 8.162 -0.896 2
1 738 . 1 1 A 72 72 ASP HA H 72 4.285 4.440 -0.155 2
1 741 . 1 1 A 72 72 ASP CA C 72 57.322 57.427 -0.105 2
1 742 . 1 1 A 72 72 ASP CB C 72 41.553 40.681 0.872 2
1 743 . 1 1 A 72 72 ASP N N 72 119.650 119.523 0.127 2
1 744 . 1 1 A 73 73 LEU H H 73 7.755 8.414 -0.659 2
1 745 . 1 1 A 73 73 LEU HA H 73 3.736 4.077 -0.341 2
1 755 . 1 1 A 73 73 LEU CA C 73 58.272 57.966 0.306 2
1 756 . 1 1 A 73 73 LEU CB C 73 41.995 41.838 0.157 2
1 760 . 1 1 A 73 73 LEU N N 73 121.526 121.133 0.393 2
1 761 . 1 1 A 74 74 TYR H H 74 8.244 8.479 -0.235 2
1 762 . 1 1 A 74 74 TYR HA H 74 3.697 4.108 -0.411 2
1 769 . 1 1 A 74 74 TYR CA C 74 62.802 61.483 1.319 2
1 770 . 1 1 A 74 74 TYR CB C 74 37.819 37.705 0.114 2
1 771 . 1 1 A 74 74 TYR N N 74 116.552 118.024 -1.472 2
1 772 . 1 1 A 75 75 ALA H H 75 8.169 8.284 -0.115 2
1 773 . 1 1 A 75 75 ALA HA H 75 4.286 4.170 0.116 2
1 777 . 1 1 A 75 75 ALA CA C 75 55.465 54.977 0.488 2
1 778 . 1 1 A 75 75 ALA CB C 75 17.722 18.538 -0.816 2
1 779 . 1 1 A 75 75 ALA N N 75 122.825 123.098 -0.273 2
1 780 . 1 1 A 76 76 LEU H H 76 7.353 8.394 -1.041 2
1 781 . 1 1 A 76 76 LEU HA H 76 4.003 4.061 -0.058 2
1 791 . 1 1 A 76 76 LEU CA C 76 57.687 57.782 -0.095 2
1 792 . 1 1 A 76 76 LEU CB C 76 42.753 41.572 1.181 2
1 796 . 1 1 A 76 76 LEU N N 76 116.756 120.569 -3.813 2
1 797 . 1 1 A 77 77 GLU H H 77 7.420 8.376 -0.956 2
1 798 . 1 1 A 77 77 GLU HA H 77 4.575 4.024 0.551 2
1 803 . 1 1 A 77 77 GLU CA C 77 57.962 58.947 -0.985 2
1 804 . 1 1 A 77 77 GLU CB C 77 28.292 28.681 -0.389 2
1 806 . 1 1 A 77 77 GLU N N 77 121.356 118.006 3.350 2
1 807 . 1 1 A 78 78 ASP H H 78 8.637 7.784 0.853 2
1 808 . 1 1 A 78 78 ASP HA H 78 4.399 4.398 0.001 2
1 811 . 1 1 A 78 78 ASP CA C 78 57.569 56.843 0.726 2
1 812 . 1 1 A 78 78 ASP CB C 78 40.715 41.080 -0.365 2
1 813 . 1 1 A 78 78 ASP N N 78 123.396 120.599 2.797 2
1 814 . 1 1 A 79 79 GLU H H 79 7.773 8.005 -0.232 2
1 815 . 1 1 A 79 79 GLU HA H 79 4.283 4.388 -0.105 2
1 820 . 1 1 A 79 79 GLU CA C 79 56.357 56.220 0.137 2
1 821 . 1 1 A 79 79 GLU CB C 79 30.855 30.793 0.062 2
1 823 . 1 1 A 79 79 GLU N N 79 115.336 116.194 -0.858 2
1 824 . 1 1 A 80 80 GLY H H 80 8.050 7.907 0.143 2
1 825 . 1 1 A 80 80 GLY HA2 H 80 4.031 3.963 0.068 2
1 826 . 1 1 A 80 80 GLY HA3 H 80 4.031 3.964 0.067 2
1 827 . 1 1 A 80 80 GLY CA C 80 46.314 46.160 0.154 2
1 828 . 1 1 A 80 80 GLY N N 80 108.957 108.435 0.522 2
1 829 . 1 1 A 81 81 LYS H H 81 8.188 7.681 0.507 2
1 830 . 1 1 A 81 81 LYS HA H 81 4.415 4.316 0.099 2
1 839 . 1 1 A 81 81 LYS CA C 81 56.716 57.255 -0.538 2
1 840 . 1 1 A 81 81 LYS CB C 81 35.935 32.765 3.170 2
1 844 . 1 1 A 81 81 LYS N N 81 116.879 118.724 -1.845 2
1 845 . 1 1 A 82 82 LEU H H 82 7.499 7.978 -0.479 2
1 846 . 1 1 A 82 82 LEU HA H 82 3.977 3.996 -0.019 2
1 856 . 1 1 A 82 82 LEU CA C 82 57.480 58.043 -0.563 2
1 857 . 1 1 A 82 82 LEU CB C 82 40.489 41.443 -0.954 2
1 861 . 1 1 A 82 82 LEU N N 82 122.734 121.462 1.272 2
1 862 . 1 1 A 83 83 ASP H H 83 8.625 8.299 0.326 2
1 863 . 1 1 A 83 83 ASP HA H 83 4.248 4.352 -0.104 2
1 866 . 1 1 A 83 83 ASP CA C 83 58.680 57.745 0.935 2
1 867 . 1 1 A 83 83 ASP CB C 83 40.149 41.455 -1.306 2
1 868 . 1 1 A 83 83 ASP N N 83 119.728 119.638 0.090 2
1 869 . 1 1 A 84 84 SER H H 84 8.426 7.859 0.567 2
1 870 . 1 1 A 84 84 SER HA H 84 4.219 4.298 -0.079 2
1 873 . 1 1 A 84 84 SER CA C 84 61.473 61.644 -0.171 2
1 874 . 1 1 A 84 84 SER CB C 84 62.589 63.142 -0.553 2
1 875 . 1 1 A 84 84 SER N N 84 113.454 115.685 -2.231 2
1 876 . 1 1 A 85 85 LEU H H 85 7.551 8.088 -0.537 2
1 877 . 1 1 A 85 85 LEU HA H 85 4.319 4.103 0.216 2
1 887 . 1 1 A 85 85 LEU CA C 85 58.355 57.761 0.594 2
1 888 . 1 1 A 85 85 LEU CB C 85 41.588 41.608 -0.020 2
1 892 . 1 1 A 85 85 LEU N N 85 126.500 121.828 4.672 2
1 893 . 1 1 A 86 86 LEU H H 86 8.382 7.924 0.458 2
1 894 . 1 1 A 86 86 LEU HA H 86 3.827 4.093 -0.266 2
1 904 . 1 1 A 86 86 LEU CA C 86 57.826 57.636 0.190 2
1 905 . 1 1 A 86 86 LEU CB C 86 41.840 41.433 0.407 2
1 909 . 1 1 A 86 86 LEU N N 86 117.962 116.611 1.351 2
1 910 . 1 1 A 87 87 LYS H H 87 7.522 7.793 -0.271 2
1 911 . 1 1 A 87 87 LYS HA H 87 4.331 4.118 0.213 2
1 920 . 1 1 A 87 87 LYS CA C 87 58.325 59.137 -0.812 2
1 921 . 1 1 A 87 87 LYS CB C 87 34.043 32.819 1.224 2
1 925 . 1 1 A 87 87 LYS N N 87 114.198 118.765 -4.567 2
1 926 . 1 1 A 88 88 THR H H 88 8.165 8.213 -0.048 2
1 927 . 1 1 A 88 88 THR HA H 88 4.507 4.428 0.079 2
1 932 . 1 1 A 88 88 THR CA C 88 62.385 62.621 -0.236 2
1 933 . 1 1 A 88 88 THR CB C 88 72.525 70.494 2.031 2
1 935 . 1 1 A 88 88 THR N N 88 106.021 108.513 -2.492 2
1 936 . 1 1 A 89 89 GLY H H 89 9.139 8.851 0.288 2
1 937 . 1 1 A 89 89 GLY HA2 H 89 3.612 3.912 -0.300 2
1 938 . 1 1 A 89 89 GLY HA3 H 89 4.204 3.917 0.286 2
1 939 . 1 1 A 89 89 GLY CA C 89 46.770 45.694 1.076 2
1 940 . 1 1 A 89 89 GLY N N 89 112.926 111.954 0.972 2
1 941 . 1 1 A 90 90 LYS H H 90 7.933 7.431 0.502 2
1 942 . 1 1 A 90 90 LYS HA H 90 4.459 4.855 -0.396 2
1 951 . 1 1 A 90 90 LYS CA C 90 54.576 54.601 -0.025 2
1 952 . 1 1 A 90 90 LYS CB C 90 35.788 35.781 0.007 2
1 956 . 1 1 A 90 90 LYS N N 90 117.810 117.860 -0.050 2
1 957 . 1 1 A 91 91 LEU H H 91 8.487 8.679 -0.192 2
1 958 . 1 1 A 91 91 LEU HA H 91 4.423 4.786 -0.363 2
1 968 . 1 1 A 91 91 LEU CA C 91 54.491 53.964 0.527 2
1 969 . 1 1 A 91 91 LEU CB C 91 43.083 43.137 -0.054 2
1 973 . 1 1 A 91 91 LEU N N 91 123.364 120.986 2.378 2
stop_
save_