data_16062_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16062
_Entry.PDB_ID 2KC6
_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 8 . 1 1 1 A 2 2 PRO HA H 2 3.996 4.751 -0.755 1
1 15 . 1 1 1 A 2 2 PRO CA C 2 66.442 63.907 2.535 1
1 16 . 1 1 1 A 2 2 PRO CB C 2 30.824 32.103 -1.279 1
1 19 . 1 1 1 A 3 3 GLU H H 3 8.359 8.154 0.205 1
1 20 . 1 1 1 A 3 3 GLU HA H 3 4.085 4.272 -0.187 1
1 25 . 1 1 1 A 3 3 GLU CA C 3 58.481 59.499 -1.018 1
1 26 . 1 1 1 A 3 3 GLU CB C 3 28.167 29.379 -1.212 1
1 28 . 1 1 1 A 4 4 ASP H H 4 7.555 7.764 -0.209 1
1 29 . 1 1 1 A 4 4 ASP HA H 4 4.379 4.328 0.051 1
1 32 . 1 1 1 A 4 4 ASP CA C 4 55.752 56.956 -1.204 1
1 33 . 1 1 1 A 4 4 ASP CB C 4 40.237 40.582 -0.345 1
1 34 . 1 1 1 A 5 5 TRP H H 5 7.357 7.854 -0.497 1
1 35 . 1 1 1 A 5 5 TRP HA H 5 5.331 4.766 0.565 1
1 44 . 1 1 1 A 5 5 TRP CA C 5 54.949 57.733 -2.784 1
1 45 . 1 1 1 A 5 5 TRP CB C 5 31.983 29.551 2.432 1
1 51 . 1 1 1 A 6 6 PHE H H 6 7.664 7.395 0.269 1
1 52 . 1 1 1 A 6 6 PHE HA H 6 5.144 4.081 1.063 1
1 60 . 1 1 1 A 6 6 PHE CB C 6 39.765 39.518 0.247 1
1 64 . 1 1 1 A 7 7 THR H H 7 8.099 8.222 -0.123 1
1 65 . 1 1 1 A 7 7 THR HA H 7 4.628 4.664 -0.036 1
1 70 . 1 1 1 A 7 7 THR CA C 7 53.988 58.635 -4.647 1
1 71 . 1 1 1 A 7 7 THR CB C 7 69.001 68.866 0.135 1
1 73 . 1 1 1 A 8 8 PRO HA H 8 3.311 4.064 -0.753 1
1 80 . 1 1 1 A 8 8 PRO CA C 8 63.015 64.156 -1.141 1
1 81 . 1 1 1 A 8 8 PRO CB C 8 31.169 31.488 -0.319 1
1 84 . 1 1 1 A 9 9 ASP H H 9 8.798 8.427 0.371 1
1 85 . 1 1 1 A 9 9 ASP HA H 9 4.249 4.400 -0.151 1
1 88 . 1 1 1 A 9 9 ASP CA C 9 56.899 56.070 0.829 1
1 89 . 1 1 1 A 9 9 ASP CB C 9 39.412 40.519 -1.107 1
1 90 . 1 1 1 A 10 10 THR H H 10 6.936 7.781 -0.845 1
1 91 . 1 1 1 A 10 10 THR HA H 10 4.405 4.538 -0.133 1
1 96 . 1 1 1 A 10 10 THR CA C 10 59.512 61.931 -2.419 1
1 97 . 1 1 1 A 10 10 THR CB C 10 68.463 71.297 -2.834 1
1 99 . 1 1 1 A 11 11 CYS H H 11 7.158 7.210 -0.052 1
1 100 . 1 1 1 A 11 11 CYS HA H 11 4.563 4.782 -0.219 1
1 103 . 1 1 1 A 11 11 CYS CB C 11 40.355 44.232 -3.877 1
1 104 . 1 1 1 A 12 12 ALA H H 12 8.807 9.002 -0.195 1
1 105 . 1 1 1 A 12 12 ALA HA H 12 3.909 4.503 -0.594 1
1 109 . 1 1 1 A 12 12 ALA CA C 12 52.884 52.575 0.309 1
1 110 . 1 1 1 A 12 12 ALA CB C 12 17.564 18.746 -1.182 1
1 111 . 1 1 1 A 13 13 TYR H H 13 7.510 7.978 -0.468 1
1 112 . 1 1 1 A 13 13 TYR HA H 13 4.841 5.206 -0.365 1
1 119 . 1 1 1 A 13 13 TYR CB C 13 38.900 42.997 -4.097 1
1 122 . 1 1 1 A 14 14 GLY H H 14 9.002 8.711 0.291 1
1 123 . 1 1 1 A 14 14 GLY HA2 H 14 4.144 4.071 0.073 1
1 124 . 1 1 1 A 14 14 GLY HA3 H 14 3.971 4.156 -0.185 1
1 125 . 1 1 1 A 14 14 GLY CA C 14 46.044 45.686 0.358 1
1 126 . 1 1 1 A 15 15 ASP H H 15 7.322 7.759 -0.437 1
1 127 . 1 1 1 A 15 15 ASP HA H 15 4.789 4.830 -0.041 1
1 130 . 1 1 1 A 15 15 ASP CB C 15 43.563 42.728 0.835 1
1 131 . 1 1 1 A 16 16 SER H H 16 8.796 8.551 0.245 1
1 132 . 1 1 1 A 16 16 SER HA H 16 3.006 2.790 0.216 1
1 135 . 1 1 1 A 16 16 SER CA C 16 61.150 60.901 0.249 1
1 136 . 1 1 1 A 16 16 SER CB C 16 61.849 62.082 -0.233 1
1 137 . 1 1 1 A 17 17 ASN H H 17 8.281 7.841 0.440 1
1 138 . 1 1 1 A 17 17 ASN HA H 17 4.679 4.439 0.240 1
1 143 . 1 1 1 A 17 17 ASN CA C 17 56.624 56.404 0.220 1
1 144 . 1 1 1 A 17 17 ASN CB C 17 38.066 38.379 -0.313 1
1 145 . 1 1 1 A 18 18 THR H H 18 9.130 8.248 0.882 1
1 146 . 1 1 1 A 18 18 THR HA H 18 3.888 4.103 -0.215 1
1 151 . 1 1 1 A 18 18 THR CA C 18 65.897 66.203 -0.306 1
1 152 . 1 1 1 A 18 18 THR CB C 18 67.277 68.845 -1.568 1
1 154 . 1 1 1 A 19 19 ALA H H 19 8.516 8.355 0.161 1
1 155 . 1 1 1 A 19 19 ALA HA H 19 4.049 3.664 0.385 1
1 159 . 1 1 1 A 19 19 ALA CA C 19 55.280 55.093 0.187 1
1 160 . 1 1 1 A 19 19 ALA CB C 19 19.411 18.661 0.750 1
1 161 . 1 1 1 A 20 20 TRP H H 20 9.036 8.727 0.309 1
1 162 . 1 1 1 A 20 20 TRP HA H 20 4.110 4.123 -0.013 1
1 171 . 1 1 1 A 20 20 TRP CA C 20 61.191 61.748 -0.557 1
1 172 . 1 1 1 A 20 20 TRP CB C 20 28.615 29.533 -0.918 1
1 178 . 1 1 1 A 21 21 THR H H 21 8.630 8.321 0.309 1
1 179 . 1 1 1 A 21 21 THR HA H 21 3.650 4.141 -0.491 1
1 184 . 1 1 1 A 21 21 THR CA C 21 66.297 66.679 -0.382 1
1 185 . 1 1 1 A 21 21 THR CB C 21 68.329 68.304 0.025 1
1 187 . 1 1 1 A 22 22 THR H H 22 8.509 8.222 0.287 1
1 188 . 1 1 1 A 22 22 THR HA H 22 3.605 3.756 -0.151 1
1 193 . 1 1 1 A 22 22 THR CA C 22 66.625 66.873 -0.248 1
1 194 . 1 1 1 A 22 22 THR CB C 22 67.818 68.158 -0.340 1
1 196 . 1 1 1 A 23 23 CYS H H 23 8.357 8.388 -0.031 1
1 197 . 1 1 1 A 23 23 CYS HA H 23 4.332 4.430 -0.098 1
1 200 . 1 1 1 A 23 23 CYS CA C 23 57.046 58.697 -1.651 1
1 201 . 1 1 1 A 23 23 CYS CB C 23 40.331 41.773 -1.442 1
1 202 . 1 1 1 A 24 24 THR H H 24 7.178 7.305 -0.127 1
1 203 . 1 1 1 A 24 24 THR HA H 24 4.437 4.557 -0.120 1
1 208 . 1 1 1 A 24 24 THR CA C 24 60.381 61.055 -0.674 1
1 209 . 1 1 1 A 24 24 THR CB C 24 70.672 69.061 1.611 1
1 211 . 1 1 1 A 25 25 THR H H 25 7.220 7.418 -0.198 1
1 212 . 1 1 1 A 25 25 THR HA H 25 5.154 5.076 0.078 1
1 217 . 1 1 1 A 25 25 THR CA C 25 59.059 58.521 0.538 1
1 218 . 1 1 1 A 25 25 THR CB C 25 69.107 70.490 -1.383 1
1 220 . 1 1 1 A 26 26 PRO HA H 26 4.549 4.754 -0.205 1
1 227 . 1 1 1 A 26 26 PRO CA C 26 64.733 62.910 1.823 1
1 228 . 1 1 1 A 26 26 PRO CB C 26 32.055 31.905 0.150 1
1 231 . 1 1 1 A 27 27 GLY H H 27 9.118 8.060 1.058 1
1 232 . 1 1 1 A 27 27 GLY HA2 H 27 4.555 4.257 0.298 1
1 233 . 1 1 1 A 27 27 GLY HA3 H 27 3.937 4.265 -0.328 1
1 234 . 1 1 1 A 27 27 GLY CA C 27 43.918 45.547 -1.629 1
1 235 . 1 1 1 A 28 28 GLN H H 28 8.971 8.723 0.248 1
1 236 . 1 1 1 A 28 28 GLN HA H 28 4.167 4.273 -0.106 1
1 243 . 1 1 1 A 28 28 GLN CA C 28 58.650 57.276 1.374 1
1 244 . 1 1 1 A 28 28 GLN CB C 28 28.853 29.135 -0.282 1
1 246 . 1 1 1 A 29 29 THR H H 29 8.533 7.489 1.044 1
1 247 . 1 1 1 A 29 29 THR HA H 29 4.499 4.666 -0.167 1
1 252 . 1 1 1 A 29 29 THR CA C 29 59.513 59.770 -0.257 1
1 253 . 1 1 1 A 29 29 THR CB C 29 68.879 69.007 -0.128 1
1 255 . 1 1 1 A 30 30 CYS H H 30 7.040 8.501 -1.461 1
1 256 . 1 1 1 A 30 30 CYS HA H 30 3.823 4.669 -0.846 1
1 259 . 1 1 1 A 30 30 CYS CA C 30 59.787 58.847 0.940 1
1 260 . 1 1 1 A 30 30 CYS CB C 30 41.483 28.114 13.369 1
1 261 . 1 1 1 A 31 31 TYR H H 31 9.732 8.464 1.268 1
1 262 . 1 1 1 A 31 31 TYR HA H 31 3.780 3.977 -0.197 1
1 269 . 1 1 1 A 31 31 TYR CA C 31 64.210 61.688 2.522 1
1 270 . 1 1 1 A 31 31 TYR CB C 31 39.118 38.654 0.464 1
1 273 . 1 1 1 A 32 32 THR H H 32 9.792 8.023 1.769 1
1 274 . 1 1 1 A 32 32 THR HA H 32 4.050 3.836 0.214 1
1 279 . 1 1 1 A 32 32 THR CA C 32 66.055 66.228 -0.173 1
1 280 . 1 1 1 A 32 32 THR CB C 32 68.541 67.977 0.564 1
1 282 . 1 1 1 A 33 33 CYS H H 33 8.845 8.612 0.233 1
1 283 . 1 1 1 A 33 33 CYS HA H 33 4.948 4.092 0.856 1
1 286 . 1 1 1 A 33 33 CYS CB C 33 37.503 41.546 -4.043 1
1 287 . 1 1 1 A 34 34 CYS H H 34 8.129 8.054 0.075 1
1 288 . 1 1 1 A 34 34 CYS HA H 34 4.718 4.058 0.660 1
1 291 . 1 1 1 A 34 34 CYS CB C 34 33.988 41.281 -7.293 1
1 292 . 1 1 1 A 35 35 SER H H 35 7.542 8.136 -0.594 1
1 293 . 1 1 1 A 35 35 SER HA H 35 4.404 4.152 0.252 1
1 296 . 1 1 1 A 35 35 SER CA C 35 59.877 61.342 -1.465 1
1 297 . 1 1 1 A 35 35 SER CB C 35 63.139 62.880 0.259 1
1 298 . 1 1 1 A 36 36 SER H H 36 7.129 7.808 -0.679 1
1 299 . 1 1 1 A 36 36 SER HA H 36 4.692 4.547 0.145 1
1 302 . 1 1 1 A 36 36 SER CB C 36 62.611 63.669 -1.058 1
1 303 . 1 1 1 A 37 37 CYS H H 37 7.752 7.631 0.121 1
1 304 . 1 1 1 A 37 37 CYS HA H 37 4.464 4.724 -0.260 1
1 307 . 1 1 1 A 37 37 CYS CA C 37 59.010 56.084 2.926 1
1 308 . 1 1 1 A 37 37 CYS CB C 37 48.093 44.664 3.429 1
1 309 . 1 1 1 A 38 38 PHE H H 38 7.013 7.930 -0.917 1
1 310 . 1 1 1 A 38 38 PHE HA H 38 5.633 5.504 0.129 1
1 317 . 1 1 1 A 38 38 PHE CA C 38 55.379 56.399 -1.020 1
1 318 . 1 1 1 A 38 38 PHE CB C 38 42.836 43.554 -0.718 1
1 322 . 1 1 1 A 39 39 ASP H H 39 8.871 9.013 -0.142 1
1 323 . 1 1 1 A 39 39 ASP HA H 39 4.392 4.695 -0.303 1
1 326 . 1 1 1 A 39 39 ASP CA C 39 52.467 54.559 -2.092 1
1 327 . 1 1 1 A 39 39 ASP CB C 39 39.511 42.098 -2.587 1
1 328 . 1 1 1 A 40 40 VAL H H 40 8.003 8.526 -0.523 1
1 329 . 1 1 1 A 40 40 VAL HA H 40 3.985 3.748 0.237 1
1 337 . 1 1 1 A 40 40 VAL CA C 40 65.558 65.218 0.340 1
1 338 . 1 1 1 A 40 40 VAL CB C 40 29.014 31.687 -2.673 1
1 341 . 1 1 1 A 41 41 VAL H H 41 7.493 7.932 -0.439 1
1 342 . 1 1 1 A 41 41 VAL HA H 41 3.528 3.445 0.083 1
1 350 . 1 1 1 A 41 41 VAL CA C 41 65.014 66.099 -1.085 1
1 351 . 1 1 1 A 41 41 VAL CB C 41 31.518 31.347 0.171 1
1 354 . 1 1 1 A 42 42 GLY H H 42 8.730 7.949 0.781 1
1 355 . 1 1 1 A 42 42 GLY HA2 H 42 2.573 3.202 -0.629 1
1 356 . 1 1 1 A 42 42 GLY HA3 H 42 3.224 3.927 -0.703 1
1 357 . 1 1 1 A 42 42 GLY CA C 42 47.496 46.980 0.516 1
1 358 . 1 1 1 A 43 43 GLU H H 43 10.197 8.723 1.474 1
1 359 . 1 1 1 A 43 43 GLU HA H 43 3.776 4.036 -0.260 1
1 364 . 1 1 1 A 43 43 GLU CA C 43 58.892 59.409 -0.517 1
1 365 . 1 1 1 A 43 43 GLU CB C 43 29.300 29.285 0.015 1
1 367 . 1 1 1 A 44 44 GLN H H 44 6.648 7.680 -1.032 1
1 368 . 1 1 1 A 44 44 GLN HA H 44 4.028 3.939 0.089 1
1 375 . 1 1 1 A 44 44 GLN CA C 44 57.875 58.662 -0.787 1
1 376 . 1 1 1 A 44 44 GLN CB C 44 27.790 28.544 -0.754 1
1 378 . 1 1 1 A 45 45 ALA H H 45 7.131 7.505 -0.374 1
1 379 . 1 1 1 A 45 45 ALA HA H 45 4.076 3.972 0.104 1
1 383 . 1 1 1 A 45 45 ALA CA C 45 54.601 54.898 -0.297 1
1 384 . 1 1 1 A 45 45 ALA CB C 45 17.623 17.860 -0.237 1
1 385 . 1 1 1 A 46 46 CYS H H 46 8.934 7.811 1.123 1
1 386 . 1 1 1 A 46 46 CYS HA H 46 3.116 3.346 -0.230 1
1 389 . 1 1 1 A 46 46 CYS CA C 46 58.321 58.423 -0.102 1
1 390 . 1 1 1 A 47 47 GLN H H 47 8.360 8.378 -0.018 1
1 391 . 1 1 1 A 47 47 GLN HA H 47 3.352 3.762 -0.410 1
1 398 . 1 1 1 A 47 47 GLN CA C 47 58.364 57.845 0.519 1
1 399 . 1 1 1 A 47 47 GLN CB C 47 26.924 27.966 -1.042 1
1 401 . 1 1 1 A 48 48 MET H H 48 8.112 7.947 0.165 1
1 402 . 1 1 1 A 48 48 MET HA H 48 4.379 4.395 -0.016 1
1 407 . 1 1 1 A 48 48 MET CA C 48 57.081 57.134 -0.053 1
1 408 . 1 1 1 A 48 48 MET CB C 48 31.934 32.661 -0.727 1
1 410 . 1 1 1 A 49 49 SER H H 49 7.672 8.134 -0.462 1
1 411 . 1 1 1 A 49 49 SER HA H 49 4.536 4.622 -0.086 1
1 414 . 1 1 1 A 49 49 SER CA C 49 59.206 57.604 1.602 1
1 415 . 1 1 1 A 49 49 SER CB C 49 63.792 64.094 -0.302 1
1 416 . 1 1 1 A 50 50 ALA H H 50 7.602 7.098 0.504 1
1 417 . 1 1 1 A 50 50 ALA HA H 50 4.187 4.475 -0.288 1
1 421 . 1 1 1 A 50 50 ALA CA C 50 52.637 50.621 2.016 1
1 422 . 1 1 1 A 50 50 ALA CB C 50 17.896 19.449 -1.553 1
1 423 . 1 1 1 A 51 51 GLN H H 51 8.004 8.920 -0.916 1
1 424 . 1 1 1 A 51 51 GLN HA H 51 4.584 4.907 -0.323 1
1 431 . 1 1 1 A 51 51 GLN CA C 51 54.256 54.534 -0.278 1
1 432 . 1 1 1 A 51 51 GLN CB C 51 28.525 29.844 -1.319 1
1 8 . 2 1 1 A 2 2 PRO HA H 2 3.996 4.742 -0.746 1
1 15 . 2 1 1 A 2 2 PRO CA C 2 66.442 64.427 2.015 1
1 16 . 2 1 1 A 2 2 PRO CB C 2 30.824 31.751 -0.927 1
1 19 . 2 1 1 A 3 3 GLU H H 3 8.359 8.057 0.302 1
1 20 . 2 1 1 A 3 3 GLU HA H 3 4.085 4.074 0.011 1
1 25 . 2 1 1 A 3 3 GLU CA C 3 58.481 59.085 -0.604 1
1 26 . 2 1 1 A 3 3 GLU CB C 3 28.167 28.943 -0.776 1
1 28 . 2 1 1 A 4 4 ASP H H 4 7.555 7.787 -0.232 1
1 29 . 2 1 1 A 4 4 ASP HA H 4 4.379 4.236 0.143 1
1 32 . 2 1 1 A 4 4 ASP CA C 4 55.752 56.843 -1.091 1
1 33 . 2 1 1 A 4 4 ASP CB C 4 40.237 40.579 -0.342 1
1 34 . 2 1 1 A 5 5 TRP H H 5 7.357 6.924 0.433 1
1 35 . 2 1 1 A 5 5 TRP HA H 5 5.331 4.540 0.791 1
1 44 . 2 1 1 A 5 5 TRP CA C 5 54.949 57.490 -2.541 1
1 45 . 2 1 1 A 5 5 TRP CB C 5 31.983 28.996 2.987 1
1 51 . 2 1 1 A 6 6 PHE H H 6 7.664 7.440 0.224 1
1 52 . 2 1 1 A 6 6 PHE HA H 6 5.144 3.946 1.198 1
1 60 . 2 1 1 A 6 6 PHE CB C 6 39.765 39.697 0.068 1
1 64 . 2 1 1 A 7 7 THR H H 7 8.099 7.742 0.357 1
1 65 . 2 1 1 A 7 7 THR HA H 7 4.628 4.729 -0.101 1
1 70 . 2 1 1 A 7 7 THR CA C 7 53.988 58.039 -4.051 1
1 71 . 2 1 1 A 7 7 THR CB C 7 69.001 71.062 -2.061 1
1 73 . 2 1 1 A 8 8 PRO HA H 8 3.311 4.165 -0.854 1
1 80 . 2 1 1 A 8 8 PRO CA C 8 63.015 64.055 -1.040 1
1 81 . 2 1 1 A 8 8 PRO CB C 8 31.169 31.988 -0.819 1
1 84 . 2 1 1 A 9 9 ASP H H 9 8.798 8.584 0.214 1
1 85 . 2 1 1 A 9 9 ASP HA H 9 4.249 4.430 -0.181 1
1 88 . 2 1 1 A 9 9 ASP CA C 9 56.899 55.950 0.949 1
1 89 . 2 1 1 A 9 9 ASP CB C 9 39.412 40.369 -0.957 1
1 90 . 2 1 1 A 10 10 THR H H 10 6.936 7.908 -0.972 1
1 91 . 2 1 1 A 10 10 THR HA H 10 4.405 4.418 -0.013 1
1 96 . 2 1 1 A 10 10 THR CA C 10 59.512 62.112 -2.600 1
1 97 . 2 1 1 A 10 10 THR CB C 10 68.463 70.473 -2.010 1
1 99 . 2 1 1 A 11 11 CYS H H 11 7.158 7.562 -0.404 1
1 100 . 2 1 1 A 11 11 CYS HA H 11 4.563 4.808 -0.245 1
1 103 . 2 1 1 A 11 11 CYS CB C 11 40.355 44.907 -4.552 1
1 104 . 2 1 1 A 12 12 ALA H H 12 8.807 8.685 0.122 1
1 105 . 2 1 1 A 12 12 ALA HA H 12 3.909 4.001 -0.092 1
1 109 . 2 1 1 A 12 12 ALA CA C 12 52.884 54.577 -1.693 1
1 110 . 2 1 1 A 12 12 ALA CB C 12 17.564 18.402 -0.838 1
1 111 . 2 1 1 A 13 13 TYR H H 13 7.510 7.456 0.054 1
1 112 . 2 1 1 A 13 13 TYR HA H 13 4.841 4.639 0.202 1
1 119 . 2 1 1 A 13 13 TYR CB C 13 38.900 38.578 0.322 1
1 122 . 2 1 1 A 14 14 GLY H H 14 9.002 8.963 0.039 1
1 123 . 2 1 1 A 14 14 GLY HA2 H 14 4.144 3.947 0.197 1
1 124 . 2 1 1 A 14 14 GLY HA3 H 14 3.971 4.123 -0.152 1
1 125 . 2 1 1 A 14 14 GLY CA C 14 46.044 46.015 0.029 1
1 126 . 2 1 1 A 15 15 ASP H H 15 7.322 7.673 -0.351 1
1 127 . 2 1 1 A 15 15 ASP HA H 15 4.789 4.782 0.007 1
1 130 . 2 1 1 A 15 15 ASP CB C 15 43.563 43.571 -0.008 1
1 131 . 2 1 1 A 16 16 SER H H 16 8.796 8.610 0.186 1
1 132 . 2 1 1 A 16 16 SER HA H 16 3.006 4.427 -1.421 1
1 135 . 2 1 1 A 16 16 SER CA C 16 61.150 61.768 -0.618 1
1 136 . 2 1 1 A 16 16 SER CB C 16 61.849 62.419 -0.570 1
1 137 . 2 1 1 A 17 17 ASN H H 17 8.281 8.075 0.206 1
1 138 . 2 1 1 A 17 17 ASN HA H 17 4.679 4.699 -0.020 1
1 143 . 2 1 1 A 17 17 ASN CA C 17 56.624 56.460 0.164 1
1 144 . 2 1 1 A 17 17 ASN CB C 17 38.066 38.434 -0.368 1
1 145 . 2 1 1 A 18 18 THR H H 18 9.130 8.092 1.038 1
1 146 . 2 1 1 A 18 18 THR HA H 18 3.888 3.897 -0.009 1
1 151 . 2 1 1 A 18 18 THR CA C 18 65.897 66.271 -0.374 1
1 152 . 2 1 1 A 18 18 THR CB C 18 67.277 68.437 -1.160 1
1 154 . 2 1 1 A 19 19 ALA H H 19 8.516 8.665 -0.149 1
1 155 . 2 1 1 A 19 19 ALA HA H 19 4.049 4.209 -0.160 1
1 159 . 2 1 1 A 19 19 ALA CA C 19 55.280 55.363 -0.083 1
1 160 . 2 1 1 A 19 19 ALA CB C 19 19.411 19.184 0.227 1
1 161 . 2 1 1 A 20 20 TRP H H 20 9.036 8.569 0.467 1
1 162 . 2 1 1 A 20 20 TRP HA H 20 4.110 3.958 0.152 1
1 171 . 2 1 1 A 20 20 TRP CA C 20 61.191 61.526 -0.335 1
1 172 . 2 1 1 A 20 20 TRP CB C 20 28.615 29.489 -0.874 1
1 178 . 2 1 1 A 21 21 THR H H 21 8.630 8.671 -0.041 1
1 179 . 2 1 1 A 21 21 THR HA H 21 3.650 4.013 -0.363 1
1 184 . 2 1 1 A 21 21 THR CA C 21 66.297 66.700 -0.403 1
1 185 . 2 1 1 A 21 21 THR CB C 21 68.329 68.740 -0.411 1
1 187 . 2 1 1 A 22 22 THR H H 22 8.509 8.280 0.229 1
1 188 . 2 1 1 A 22 22 THR HA H 22 3.605 3.754 -0.149 1
1 193 . 2 1 1 A 22 22 THR CA C 22 66.625 66.683 -0.058 1
1 194 . 2 1 1 A 22 22 THR CB C 22 67.818 68.008 -0.190 1
1 196 . 2 1 1 A 23 23 CYS H H 23 8.357 8.514 -0.157 1
1 197 . 2 1 1 A 23 23 CYS HA H 23 4.332 4.259 0.073 1
1 200 . 2 1 1 A 23 23 CYS CA C 23 57.046 57.783 -0.737 1
1 201 . 2 1 1 A 23 23 CYS CB C 23 40.331 41.288 -0.957 1
1 202 . 2 1 1 A 24 24 THR H H 24 7.178 7.361 -0.183 1
1 203 . 2 1 1 A 24 24 THR HA H 24 4.437 4.585 -0.148 1
1 208 . 2 1 1 A 24 24 THR CA C 24 60.381 60.678 -0.297 1
1 209 . 2 1 1 A 24 24 THR CB C 24 70.672 69.292 1.380 1
1 211 . 2 1 1 A 25 25 THR H H 25 7.220 7.263 -0.043 1
1 212 . 2 1 1 A 25 25 THR HA H 25 5.154 5.075 0.079 1
1 217 . 2 1 1 A 25 25 THR CA C 25 59.059 58.612 0.447 1
1 218 . 2 1 1 A 25 25 THR CB C 25 69.107 70.486 -1.379 1
1 220 . 2 1 1 A 26 26 PRO HA H 26 4.549 4.796 -0.247 1
1 227 . 2 1 1 A 26 26 PRO CA C 26 64.733 62.593 2.140 1
1 228 . 2 1 1 A 26 26 PRO CB C 26 32.055 31.630 0.425 1
1 231 . 2 1 1 A 27 27 GLY H H 27 9.118 7.938 1.180 1
1 232 . 2 1 1 A 27 27 GLY HA2 H 27 4.555 4.289 0.266 1
1 233 . 2 1 1 A 27 27 GLY HA3 H 27 3.937 4.295 -0.358 1
1 234 . 2 1 1 A 27 27 GLY CA C 27 43.918 45.393 -1.475 1
1 235 . 2 1 1 A 28 28 GLN H H 28 8.971 8.822 0.149 1
1 236 . 2 1 1 A 28 28 GLN HA H 28 4.167 4.115 0.052 1
1 243 . 2 1 1 A 28 28 GLN CA C 28 58.650 58.551 0.099 1
1 244 . 2 1 1 A 28 28 GLN CB C 28 28.853 28.231 0.622 1
1 246 . 2 1 1 A 29 29 THR H H 29 8.533 7.926 0.607 1
1 247 . 2 1 1 A 29 29 THR HA H 29 4.499 4.650 -0.151 1
1 252 . 2 1 1 A 29 29 THR CA C 29 59.513 59.786 -0.273 1
1 253 . 2 1 1 A 29 29 THR CB C 29 68.879 68.903 -0.024 1
1 255 . 2 1 1 A 30 30 CYS H H 30 7.040 8.541 -1.501 1
1 256 . 2 1 1 A 30 30 CYS HA H 30 3.823 4.733 -0.910 1
1 259 . 2 1 1 A 30 30 CYS CA C 30 59.787 58.651 1.136 1
1 260 . 2 1 1 A 30 30 CYS CB C 30 41.483 28.092 13.391 1
1 261 . 2 1 1 A 31 31 TYR H H 31 9.732 8.483 1.249 1
1 262 . 2 1 1 A 31 31 TYR HA H 31 3.780 3.917 -0.137 1
1 269 . 2 1 1 A 31 31 TYR CA C 31 64.210 61.760 2.450 1
1 270 . 2 1 1 A 31 31 TYR CB C 31 39.118 38.555 0.563 1
1 273 . 2 1 1 A 32 32 THR H H 32 9.792 7.861 1.931 1
1 274 . 2 1 1 A 32 32 THR HA H 32 4.050 3.918 0.132 1
1 279 . 2 1 1 A 32 32 THR CA C 32 66.055 66.083 -0.028 1
1 280 . 2 1 1 A 32 32 THR CB C 32 68.541 68.216 0.325 1
1 282 . 2 1 1 A 33 33 CYS H H 33 8.845 8.604 0.241 1
1 283 . 2 1 1 A 33 33 CYS HA H 33 4.948 4.067 0.881 1
1 286 . 2 1 1 A 33 33 CYS CB C 33 37.503 41.635 -4.132 1
1 287 . 2 1 1 A 34 34 CYS H H 34 8.129 7.962 0.167 1
1 288 . 2 1 1 A 34 34 CYS HA H 34 4.718 4.002 0.716 1
1 291 . 2 1 1 A 34 34 CYS CB C 34 33.988 41.660 -7.672 1
1 292 . 2 1 1 A 35 35 SER H H 35 7.542 7.860 -0.318 1
1 293 . 2 1 1 A 35 35 SER HA H 35 4.404 4.444 -0.040 1
1 296 . 2 1 1 A 35 35 SER CA C 35 59.877 59.172 0.705 1
1 297 . 2 1 1 A 35 35 SER CB C 35 63.139 63.906 -0.767 1
1 298 . 2 1 1 A 36 36 SER H H 36 7.129 7.909 -0.780 1
1 299 . 2 1 1 A 36 36 SER HA H 36 4.692 4.783 -0.091 1
1 302 . 2 1 1 A 36 36 SER CB C 36 62.611 64.163 -1.552 1
1 303 . 2 1 1 A 37 37 CYS H H 37 7.752 7.978 -0.226 1
1 304 . 2 1 1 A 37 37 CYS HA H 37 4.464 4.781 -0.317 1
1 307 . 2 1 1 A 37 37 CYS CA C 37 59.010 57.179 1.831 1
1 308 . 2 1 1 A 37 37 CYS CB C 37 48.093 45.435 2.658 1
1 309 . 2 1 1 A 38 38 PHE H H 38 7.013 7.978 -0.965 1
1 310 . 2 1 1 A 38 38 PHE HA H 38 5.633 5.268 0.365 1
1 317 . 2 1 1 A 38 38 PHE CA C 38 55.379 56.872 -1.493 1
1 318 . 2 1 1 A 38 38 PHE CB C 38 42.836 41.701 1.135 1
1 322 . 2 1 1 A 39 39 ASP H H 39 8.871 8.491 0.380 1
1 323 . 2 1 1 A 39 39 ASP HA H 39 4.392 4.646 -0.254 1
1 326 . 2 1 1 A 39 39 ASP CA C 39 52.467 54.470 -2.003 1
1 327 . 2 1 1 A 39 39 ASP CB C 39 39.511 42.057 -2.546 1
1 328 . 2 1 1 A 40 40 VAL H H 40 8.003 8.506 -0.503 1
1 329 . 2 1 1 A 40 40 VAL HA H 40 3.985 3.718 0.267 1
1 337 . 2 1 1 A 40 40 VAL CA C 40 65.558 65.405 0.153 1
1 338 . 2 1 1 A 40 40 VAL CB C 40 29.014 31.710 -2.696 1
1 341 . 2 1 1 A 41 41 VAL H H 41 7.493 7.886 -0.393 1
1 342 . 2 1 1 A 41 41 VAL HA H 41 3.528 3.479 0.049 1
1 350 . 2 1 1 A 41 41 VAL CA C 41 65.014 65.929 -0.915 1
1 351 . 2 1 1 A 41 41 VAL CB C 41 31.518 31.314 0.204 1
1 354 . 2 1 1 A 42 42 GLY H H 42 8.730 7.847 0.883 1
1 355 . 2 1 1 A 42 42 GLY HA2 H 42 2.573 3.002 -0.429 1
1 356 . 2 1 1 A 42 42 GLY HA3 H 42 3.224 4.044 -0.820 1
1 357 . 2 1 1 A 42 42 GLY CA C 42 47.496 45.858 1.638 1
1 358 . 2 1 1 A 43 43 GLU H H 43 10.197 8.667 1.530 1
1 359 . 2 1 1 A 43 43 GLU HA H 43 3.776 3.936 -0.160 1
1 364 . 2 1 1 A 43 43 GLU CA C 43 58.892 59.414 -0.522 1
1 365 . 2 1 1 A 43 43 GLU CB C 43 29.300 29.244 0.056 1
1 367 . 2 1 1 A 44 44 GLN H H 44 6.648 7.863 -1.215 1
1 368 . 2 1 1 A 44 44 GLN HA H 44 4.028 3.953 0.075 1
1 375 . 2 1 1 A 44 44 GLN CA C 44 57.875 58.590 -0.715 1
1 376 . 2 1 1 A 44 44 GLN CB C 44 27.790 28.704 -0.914 1
1 378 . 2 1 1 A 45 45 ALA H H 45 7.131 7.893 -0.762 1
1 379 . 2 1 1 A 45 45 ALA HA H 45 4.076 4.063 0.013 1
1 383 . 2 1 1 A 45 45 ALA CA C 45 54.601 55.165 -0.564 1
1 384 . 2 1 1 A 45 45 ALA CB C 45 17.623 18.170 -0.547 1
1 385 . 2 1 1 A 46 46 CYS H H 46 8.934 8.399 0.535 1
1 386 . 2 1 1 A 46 46 CYS HA H 46 3.116 3.147 -0.031 1
1 389 . 2 1 1 A 46 46 CYS CA C 46 58.321 59.221 -0.900 1
1 390 . 2 1 1 A 47 47 GLN H H 47 8.360 8.280 0.080 1
1 391 . 2 1 1 A 47 47 GLN HA H 47 3.352 3.754 -0.402 1
1 398 . 2 1 1 A 47 47 GLN CA C 47 58.364 58.327 0.037 1
1 399 . 2 1 1 A 47 47 GLN CB C 47 26.924 27.732 -0.808 1
1 401 . 2 1 1 A 48 48 MET H H 48 8.112 7.687 0.425 1
1 402 . 2 1 1 A 48 48 MET HA H 48 4.379 4.417 -0.038 1
1 407 . 2 1 1 A 48 48 MET CA C 48 57.081 55.550 1.531 1
1 408 . 2 1 1 A 48 48 MET CB C 48 31.934 31.754 0.180 1
1 410 . 2 1 1 A 49 49 SER H H 49 7.672 8.200 -0.528 1
1 411 . 2 1 1 A 49 49 SER HA H 49 4.536 4.678 -0.142 1
1 414 . 2 1 1 A 49 49 SER CA C 49 59.206 58.521 0.685 1
1 415 . 2 1 1 A 49 49 SER CB C 49 63.792 64.317 -0.525 1
1 416 . 2 1 1 A 50 50 ALA H H 50 7.602 6.945 0.657 1
1 417 . 2 1 1 A 50 50 ALA HA H 50 4.187 4.497 -0.310 1
1 421 . 2 1 1 A 50 50 ALA CA C 50 52.637 50.992 1.645 1
1 422 . 2 1 1 A 50 50 ALA CB C 50 17.896 20.082 -2.186 1
1 423 . 2 1 1 A 51 51 GLN H H 51 8.004 8.894 -0.890 1
1 424 . 2 1 1 A 51 51 GLN HA H 51 4.584 5.094 -0.510 1
1 431 . 2 1 1 A 51 51 GLN CA C 51 54.256 54.977 -0.721 1
1 432 . 2 1 1 A 51 51 GLN CB C 51 28.525 29.901 -1.376 1
1 8 . 3 1 1 A 2 2 PRO HA H 2 3.996 4.836 -0.840 1
1 15 . 3 1 1 A 2 2 PRO CA C 2 66.442 64.152 2.290 1
1 16 . 3 1 1 A 2 2 PRO CB C 2 30.824 31.755 -0.931 1
1 19 . 3 1 1 A 3 3 GLU H H 3 8.359 8.226 0.133 1
1 20 . 3 1 1 A 3 3 GLU HA H 3 4.085 3.960 0.125 1
1 25 . 3 1 1 A 3 3 GLU CA C 3 58.481 58.553 -0.072 1
1 26 . 3 1 1 A 3 3 GLU CB C 3 28.167 28.859 -0.692 1
1 28 . 3 1 1 A 4 4 ASP H H 4 7.555 7.699 -0.144 1
1 29 . 3 1 1 A 4 4 ASP HA H 4 4.379 4.252 0.127 1
1 32 . 3 1 1 A 4 4 ASP CA C 4 55.752 56.392 -0.640 1
1 33 . 3 1 1 A 4 4 ASP CB C 4 40.237 40.724 -0.487 1
1 34 . 3 1 1 A 5 5 TRP H H 5 7.357 7.515 -0.158 1
1 35 . 3 1 1 A 5 5 TRP HA H 5 5.331 4.574 0.757 1
1 44 . 3 1 1 A 5 5 TRP CA C 5 54.949 57.606 -2.657 1
1 45 . 3 1 1 A 5 5 TRP CB C 5 31.983 29.287 2.696 1
1 51 . 3 1 1 A 6 6 PHE H H 6 7.664 7.352 0.312 1
1 52 . 3 1 1 A 6 6 PHE HA H 6 5.144 3.843 1.301 1
1 60 . 3 1 1 A 6 6 PHE CB C 6 39.765 39.571 0.194 1
1 64 . 3 1 1 A 7 7 THR H H 7 8.099 8.166 -0.067 1
1 65 . 3 1 1 A 7 7 THR HA H 7 4.628 4.537 0.091 1
1 70 . 3 1 1 A 7 7 THR CA C 7 53.988 57.964 -3.976 1
1 71 . 3 1 1 A 7 7 THR CB C 7 69.001 70.538 -1.537 1
1 73 . 3 1 1 A 8 8 PRO HA H 8 3.311 4.111 -0.800 1
1 80 . 3 1 1 A 8 8 PRO CA C 8 63.015 64.318 -1.303 1
1 81 . 3 1 1 A 8 8 PRO CB C 8 31.169 31.765 -0.596 1
1 84 . 3 1 1 A 9 9 ASP H H 9 8.798 8.373 0.425 1
1 85 . 3 1 1 A 9 9 ASP HA H 9 4.249 4.360 -0.111 1
1 88 . 3 1 1 A 9 9 ASP CA C 9 56.899 56.834 0.065 1
1 89 . 3 1 1 A 9 9 ASP CB C 9 39.412 41.061 -1.649 1
1 90 . 3 1 1 A 10 10 THR H H 10 6.936 7.131 -0.195 1
1 91 . 3 1 1 A 10 10 THR HA H 10 4.405 4.297 0.108 1
1 96 . 3 1 1 A 10 10 THR CA C 10 59.512 63.606 -4.094 1
1 97 . 3 1 1 A 10 10 THR CB C 10 68.463 69.676 -1.213 1
1 99 . 3 1 1 A 11 11 CYS H H 11 7.158 7.401 -0.243 1
1 100 . 3 1 1 A 11 11 CYS HA H 11 4.563 4.760 -0.197 1
1 103 . 3 1 1 A 11 11 CYS CB C 11 40.355 44.310 -3.955 1
1 104 . 3 1 1 A 12 12 ALA H H 12 8.807 8.866 -0.059 1
1 105 . 3 1 1 A 12 12 ALA HA H 12 3.909 4.474 -0.565 1
1 109 . 3 1 1 A 12 12 ALA CA C 12 52.884 51.749 1.135 1
1 110 . 3 1 1 A 12 12 ALA CB C 12 17.564 19.012 -1.448 1
1 111 . 3 1 1 A 13 13 TYR H H 13 7.510 7.781 -0.271 1
1 112 . 3 1 1 A 13 13 TYR HA H 13 4.841 5.183 -0.342 1
1 119 . 3 1 1 A 13 13 TYR CB C 13 38.900 43.283 -4.383 1
1 122 . 3 1 1 A 14 14 GLY H H 14 9.002 8.859 0.143 1
1 123 . 3 1 1 A 14 14 GLY HA2 H 14 4.144 4.129 0.015 1
1 124 . 3 1 1 A 14 14 GLY HA3 H 14 3.971 4.319 -0.348 1
1 125 . 3 1 1 A 14 14 GLY CA C 14 46.044 45.594 0.450 1
1 126 . 3 1 1 A 15 15 ASP H H 15 7.322 7.847 -0.525 1
1 127 . 3 1 1 A 15 15 ASP HA H 15 4.789 4.762 0.027 1
1 130 . 3 1 1 A 15 15 ASP CB C 15 43.563 43.703 -0.140 1
1 131 . 3 1 1 A 16 16 SER H H 16 8.796 8.520 0.276 1
1 132 . 3 1 1 A 16 16 SER HA H 16 3.006 4.245 -1.239 1
1 135 . 3 1 1 A 16 16 SER CA C 16 61.150 61.315 -0.165 1
1 136 . 3 1 1 A 16 16 SER CB C 16 61.849 62.471 -0.622 1
1 137 . 3 1 1 A 17 17 ASN H H 17 8.281 8.139 0.142 1
1 138 . 3 1 1 A 17 17 ASN HA H 17 4.679 4.479 0.200 1
1 143 . 3 1 1 A 17 17 ASN CA C 17 56.624 56.501 0.123 1
1 144 . 3 1 1 A 17 17 ASN CB C 17 38.066 38.458 -0.392 1
1 145 . 3 1 1 A 18 18 THR H H 18 9.130 8.238 0.892 1
1 146 . 3 1 1 A 18 18 THR HA H 18 3.888 3.877 0.011 1
1 151 . 3 1 1 A 18 18 THR CA C 18 65.897 66.234 -0.337 1
1 152 . 3 1 1 A 18 18 THR CB C 18 67.277 68.790 -1.513 1
1 154 . 3 1 1 A 19 19 ALA H H 19 8.516 8.560 -0.044 1
1 155 . 3 1 1 A 19 19 ALA HA H 19 4.049 3.715 0.334 1
1 159 . 3 1 1 A 19 19 ALA CA C 19 55.280 55.135 0.145 1
1 160 . 3 1 1 A 19 19 ALA CB C 19 19.411 18.988 0.423 1
1 161 . 3 1 1 A 20 20 TRP H H 20 9.036 8.539 0.497 1
1 162 . 3 1 1 A 20 20 TRP HA H 20 4.110 3.977 0.133 1
1 171 . 3 1 1 A 20 20 TRP CA C 20 61.191 61.531 -0.340 1
1 172 . 3 1 1 A 20 20 TRP CB C 20 28.615 29.537 -0.922 1
1 178 . 3 1 1 A 21 21 THR H H 21 8.630 8.681 -0.051 1
1 179 . 3 1 1 A 21 21 THR HA H 21 3.650 3.997 -0.347 1
1 184 . 3 1 1 A 21 21 THR CA C 21 66.297 66.556 -0.259 1
1 185 . 3 1 1 A 21 21 THR CB C 21 68.329 68.758 -0.429 1
1 187 . 3 1 1 A 22 22 THR H H 22 8.509 8.120 0.389 1
1 188 . 3 1 1 A 22 22 THR HA H 22 3.605 3.716 -0.111 1
1 193 . 3 1 1 A 22 22 THR CA C 22 66.625 66.760 -0.135 1
1 194 . 3 1 1 A 22 22 THR CB C 22 67.818 67.880 -0.062 1
1 196 . 3 1 1 A 23 23 CYS H H 23 8.357 8.291 0.066 1
1 197 . 3 1 1 A 23 23 CYS HA H 23 4.332 4.218 0.114 1
1 200 . 3 1 1 A 23 23 CYS CA C 23 57.046 57.484 -0.438 1
1 201 . 3 1 1 A 23 23 CYS CB C 23 40.331 41.098 -0.767 1
1 202 . 3 1 1 A 24 24 THR H H 24 7.178 7.286 -0.108 1
1 203 . 3 1 1 A 24 24 THR HA H 24 4.437 4.511 -0.074 1
1 208 . 3 1 1 A 24 24 THR CA C 24 60.381 60.740 -0.359 1
1 209 . 3 1 1 A 24 24 THR CB C 24 70.672 69.953 0.719 1
1 211 . 3 1 1 A 25 25 THR H H 25 7.220 7.138 0.082 1
1 212 . 3 1 1 A 25 25 THR HA H 25 5.154 5.075 0.079 1
1 217 . 3 1 1 A 25 25 THR CA C 25 59.059 58.646 0.413 1
1 218 . 3 1 1 A 25 25 THR CB C 25 69.107 70.498 -1.391 1
1 220 . 3 1 1 A 26 26 PRO HA H 26 4.549 4.777 -0.228 1
1 227 . 3 1 1 A 26 26 PRO CA C 26 64.733 62.542 2.191 1
1 228 . 3 1 1 A 26 26 PRO CB C 26 32.055 31.572 0.483 1
1 231 . 3 1 1 A 27 27 GLY H H 27 9.118 7.995 1.123 1
1 232 . 3 1 1 A 27 27 GLY HA2 H 27 4.555 4.251 0.304 1
1 233 . 3 1 1 A 27 27 GLY HA3 H 27 3.937 4.255 -0.318 1
1 234 . 3 1 1 A 27 27 GLY CA C 27 43.918 45.233 -1.315 1
1 235 . 3 1 1 A 28 28 GLN H H 28 8.971 8.903 0.068 1
1 236 . 3 1 1 A 28 28 GLN HA H 28 4.167 4.110 0.057 1
1 243 . 3 1 1 A 28 28 GLN CA C 28 58.650 58.694 -0.044 1
1 244 . 3 1 1 A 28 28 GLN CB C 28 28.853 28.152 0.701 1
1 246 . 3 1 1 A 29 29 THR H H 29 8.533 7.858 0.675 1
1 247 . 3 1 1 A 29 29 THR HA H 29 4.499 4.644 -0.145 1
1 252 . 3 1 1 A 29 29 THR CA C 29 59.513 59.947 -0.434 1
1 253 . 3 1 1 A 29 29 THR CB C 29 68.879 69.440 -0.561 1
1 255 . 3 1 1 A 30 30 CYS H H 30 7.040 8.722 -1.682 1
1 256 . 3 1 1 A 30 30 CYS HA H 30 3.823 4.714 -0.891 1
1 259 . 3 1 1 A 30 30 CYS CA C 30 59.787 60.159 -0.372 1
1 260 . 3 1 1 A 30 30 CYS CB C 30 41.483 27.930 13.553 1
1 261 . 3 1 1 A 31 31 TYR H H 31 9.732 8.312 1.420 1
1 262 . 3 1 1 A 31 31 TYR HA H 31 3.780 3.929 -0.149 1
1 269 . 3 1 1 A 31 31 TYR CA C 31 64.210 61.708 2.502 1
1 270 . 3 1 1 A 31 31 TYR CB C 31 39.118 38.654 0.464 1
1 273 . 3 1 1 A 32 32 THR H H 32 9.792 7.914 1.878 1
1 274 . 3 1 1 A 32 32 THR HA H 32 4.050 3.951 0.099 1
1 279 . 3 1 1 A 32 32 THR CA C 32 66.055 65.917 0.138 1
1 280 . 3 1 1 A 32 32 THR CB C 32 68.541 68.260 0.281 1
1 282 . 3 1 1 A 33 33 CYS H H 33 8.845 8.377 0.468 1
1 283 . 3 1 1 A 33 33 CYS HA H 33 4.948 4.385 0.563 1
1 286 . 3 1 1 A 33 33 CYS CB C 33 37.503 41.581 -4.078 1
1 287 . 3 1 1 A 34 34 CYS H H 34 8.129 7.603 0.526 1
1 288 . 3 1 1 A 34 34 CYS HA H 34 4.718 3.999 0.719 1
1 291 . 3 1 1 A 34 34 CYS CB C 34 33.988 41.440 -7.452 1
1 292 . 3 1 1 A 35 35 SER H H 35 7.542 8.165 -0.623 1
1 293 . 3 1 1 A 35 35 SER HA H 35 4.404 4.285 0.119 1
1 296 . 3 1 1 A 35 35 SER CA C 35 59.877 61.429 -1.552 1
1 297 . 3 1 1 A 35 35 SER CB C 35 63.139 63.241 -0.102 1
1 298 . 3 1 1 A 36 36 SER H H 36 7.129 7.836 -0.707 1
1 299 . 3 1 1 A 36 36 SER HA H 36 4.692 4.286 0.406 1
1 302 . 3 1 1 A 36 36 SER CB C 36 62.611 62.194 0.417 1
1 303 . 3 1 1 A 37 37 CYS H H 37 7.752 7.951 -0.199 1
1 304 . 3 1 1 A 37 37 CYS HA H 37 4.464 4.853 -0.389 1
1 307 . 3 1 1 A 37 37 CYS CA C 37 59.010 57.182 1.828 1
1 308 . 3 1 1 A 37 37 CYS CB C 37 48.093 45.486 2.607 1
1 309 . 3 1 1 A 38 38 PHE H H 38 7.013 8.047 -1.034 1
1 310 . 3 1 1 A 38 38 PHE HA H 38 5.633 5.459 0.174 1
1 317 . 3 1 1 A 38 38 PHE CA C 38 55.379 56.598 -1.219 1
1 318 . 3 1 1 A 38 38 PHE CB C 38 42.836 43.342 -0.506 1
1 322 . 3 1 1 A 39 39 ASP H H 39 8.871 8.714 0.157 1
1 323 . 3 1 1 A 39 39 ASP HA H 39 4.392 4.673 -0.281 1
1 326 . 3 1 1 A 39 39 ASP CA C 39 52.467 54.582 -2.115 1
1 327 . 3 1 1 A 39 39 ASP CB C 39 39.511 42.009 -2.498 1
1 328 . 3 1 1 A 40 40 VAL H H 40 8.003 8.511 -0.508 1
1 329 . 3 1 1 A 40 40 VAL HA H 40 3.985 3.771 0.214 1
1 337 . 3 1 1 A 40 40 VAL CA C 40 65.558 65.388 0.170 1
1 338 . 3 1 1 A 40 40 VAL CB C 40 29.014 31.614 -2.600 1
1 341 . 3 1 1 A 41 41 VAL H H 41 7.493 7.942 -0.449 1
1 342 . 3 1 1 A 41 41 VAL HA H 41 3.528 3.480 0.048 1
1 350 . 3 1 1 A 41 41 VAL CA C 41 65.014 66.192 -1.178 1
1 351 . 3 1 1 A 41 41 VAL CB C 41 31.518 31.387 0.131 1
1 354 . 3 1 1 A 42 42 GLY H H 42 8.730 7.687 1.043 1
1 355 . 3 1 1 A 42 42 GLY HA2 H 42 2.573 3.299 -0.726 1
1 356 . 3 1 1 A 42 42 GLY HA3 H 42 3.224 3.939 -0.715 1
1 357 . 3 1 1 A 42 42 GLY CA C 42 47.496 47.115 0.381 1
1 358 . 3 1 1 A 43 43 GLU H H 43 10.197 8.828 1.369 1
1 359 . 3 1 1 A 43 43 GLU HA H 43 3.776 4.077 -0.301 1
1 364 . 3 1 1 A 43 43 GLU CA C 43 58.892 59.922 -1.030 1
1 365 . 3 1 1 A 43 43 GLU CB C 43 29.300 29.563 -0.263 1
1 367 . 3 1 1 A 44 44 GLN H H 44 6.648 7.815 -1.167 1
1 368 . 3 1 1 A 44 44 GLN HA H 44 4.028 3.969 0.059 1
1 375 . 3 1 1 A 44 44 GLN CA C 44 57.875 58.526 -0.651 1
1 376 . 3 1 1 A 44 44 GLN CB C 44 27.790 28.482 -0.692 1
1 378 . 3 1 1 A 45 45 ALA H H 45 7.131 7.775 -0.644 1
1 379 . 3 1 1 A 45 45 ALA HA H 45 4.076 4.035 0.041 1
1 383 . 3 1 1 A 45 45 ALA CA C 45 54.601 55.106 -0.505 1
1 384 . 3 1 1 A 45 45 ALA CB C 45 17.623 18.062 -0.439 1
1 385 . 3 1 1 A 46 46 CYS H H 46 8.934 8.244 0.690 1
1 386 . 3 1 1 A 46 46 CYS HA H 46 3.116 3.378 -0.262 1
1 389 . 3 1 1 A 46 46 CYS CA C 46 58.321 59.376 -1.055 1
1 390 . 3 1 1 A 47 47 GLN H H 47 8.360 8.400 -0.040 1
1 391 . 3 1 1 A 47 47 GLN HA H 47 3.352 3.759 -0.407 1
1 398 . 3 1 1 A 47 47 GLN CA C 47 58.364 57.740 0.624 1
1 399 . 3 1 1 A 47 47 GLN CB C 47 26.924 28.303 -1.379 1
1 401 . 3 1 1 A 48 48 MET H H 48 8.112 7.655 0.457 1
1 402 . 3 1 1 A 48 48 MET HA H 48 4.379 4.591 -0.212 1
1 407 . 3 1 1 A 48 48 MET CA C 48 57.081 55.223 1.858 1
1 408 . 3 1 1 A 48 48 MET CB C 48 31.934 33.115 -1.181 1
1 410 . 3 1 1 A 49 49 SER H H 49 7.672 8.108 -0.436 1
1 411 . 3 1 1 A 49 49 SER HA H 49 4.536 4.749 -0.213 1
1 414 . 3 1 1 A 49 49 SER CA C 49 59.206 58.108 1.098 1
1 415 . 3 1 1 A 49 49 SER CB C 49 63.792 64.505 -0.713 1
1 416 . 3 1 1 A 50 50 ALA H H 50 7.602 7.456 0.146 1
1 417 . 3 1 1 A 50 50 ALA HA H 50 4.187 4.507 -0.320 1
1 421 . 3 1 1 A 50 50 ALA CA C 50 52.637 50.392 2.245 1
1 422 . 3 1 1 A 50 50 ALA CB C 50 17.896 20.123 -2.227 1
1 423 . 3 1 1 A 51 51 GLN H H 51 8.004 8.380 -0.376 1
1 424 . 3 1 1 A 51 51 GLN HA H 51 4.584 4.885 -0.301 1
1 431 . 3 1 1 A 51 51 GLN CA C 51 54.256 54.647 -0.391 1
1 432 . 3 1 1 A 51 51 GLN CB C 51 28.525 29.663 -1.138 1
1 8 . 4 1 1 A 2 2 PRO HA H 2 3.996 4.540 -0.544 1
1 15 . 4 1 1 A 2 2 PRO CA C 2 66.442 64.558 1.884 1
1 16 . 4 1 1 A 2 2 PRO CB C 2 30.824 31.615 -0.791 1
1 19 . 4 1 1 A 3 3 GLU H H 3 8.359 8.072 0.287 1
1 20 . 4 1 1 A 3 3 GLU HA H 3 4.085 4.100 -0.015 1
1 25 . 4 1 1 A 3 3 GLU CA C 3 58.481 58.777 -0.296 1
1 26 . 4 1 1 A 3 3 GLU CB C 3 28.167 28.876 -0.709 1
1 28 . 4 1 1 A 4 4 ASP H H 4 7.555 7.739 -0.184 1
1 29 . 4 1 1 A 4 4 ASP HA H 4 4.379 4.564 -0.185 1
1 32 . 4 1 1 A 4 4 ASP CA C 4 55.752 56.161 -0.409 1
1 33 . 4 1 1 A 4 4 ASP CB C 4 40.237 40.944 -0.707 1
1 34 . 4 1 1 A 5 5 TRP H H 5 7.357 7.386 -0.029 1
1 35 . 4 1 1 A 5 5 TRP HA H 5 5.331 4.778 0.553 1
1 44 . 4 1 1 A 5 5 TRP CA C 5 54.949 57.998 -3.049 1
1 45 . 4 1 1 A 5 5 TRP CB C 5 31.983 29.497 2.486 1
1 51 . 4 1 1 A 6 6 PHE H H 6 7.664 7.900 -0.236 1
1 52 . 4 1 1 A 6 6 PHE HA H 6 5.144 3.959 1.185 1
1 60 . 4 1 1 A 6 6 PHE CB C 6 39.765 39.801 -0.036 1
1 64 . 4 1 1 A 7 7 THR H H 7 8.099 8.359 -0.260 1
1 65 . 4 1 1 A 7 7 THR HA H 7 4.628 4.761 -0.133 1
1 70 . 4 1 1 A 7 7 THR CA C 7 53.988 58.465 -4.477 1
1 71 . 4 1 1 A 7 7 THR CB C 7 69.001 69.117 -0.116 1
1 73 . 4 1 1 A 8 8 PRO HA H 8 3.311 4.032 -0.721 1
1 80 . 4 1 1 A 8 8 PRO CA C 8 63.015 63.960 -0.945 1
1 81 . 4 1 1 A 8 8 PRO CB C 8 31.169 31.444 -0.275 1
1 84 . 4 1 1 A 9 9 ASP H H 9 8.798 8.290 0.508 1
1 85 . 4 1 1 A 9 9 ASP HA H 9 4.249 4.293 -0.044 1
1 88 . 4 1 1 A 9 9 ASP CA C 9 56.899 56.981 -0.082 1
1 89 . 4 1 1 A 9 9 ASP CB C 9 39.412 41.272 -1.860 1
1 90 . 4 1 1 A 10 10 THR H H 10 6.936 7.307 -0.371 1
1 91 . 4 1 1 A 10 10 THR HA H 10 4.405 4.261 0.144 1
1 96 . 4 1 1 A 10 10 THR CA C 10 59.512 63.669 -4.157 1
1 97 . 4 1 1 A 10 10 THR CB C 10 68.463 69.564 -1.101 1
1 99 . 4 1 1 A 11 11 CYS H H 11 7.158 7.165 -0.007 1
1 100 . 4 1 1 A 11 11 CYS HA H 11 4.563 4.643 -0.080 1
1 103 . 4 1 1 A 11 11 CYS CB C 11 40.355 44.164 -3.809 1
1 104 . 4 1 1 A 12 12 ALA H H 12 8.807 8.708 0.099 1
1 105 . 4 1 1 A 12 12 ALA HA H 12 3.909 4.435 -0.526 1
1 109 . 4 1 1 A 12 12 ALA CA C 12 52.884 51.745 1.139 1
1 110 . 4 1 1 A 12 12 ALA CB C 12 17.564 18.933 -1.369 1
1 111 . 4 1 1 A 13 13 TYR H H 13 7.510 7.788 -0.278 1
1 112 . 4 1 1 A 13 13 TYR HA H 13 4.841 5.159 -0.318 1
1 119 . 4 1 1 A 13 13 TYR CB C 13 38.900 43.401 -4.501 1
1 122 . 4 1 1 A 14 14 GLY H H 14 9.002 8.763 0.239 1
1 123 . 4 1 1 A 14 14 GLY HA2 H 14 4.144 4.222 -0.078 1
1 124 . 4 1 1 A 14 14 GLY HA3 H 14 3.971 4.364 -0.393 1
1 125 . 4 1 1 A 14 14 GLY CA C 14 46.044 45.474 0.570 1
1 126 . 4 1 1 A 15 15 ASP H H 15 7.322 7.685 -0.363 1
1 127 . 4 1 1 A 15 15 ASP HA H 15 4.789 4.694 0.095 1
1 130 . 4 1 1 A 15 15 ASP CB C 15 43.563 43.328 0.235 1
1 131 . 4 1 1 A 16 16 SER H H 16 8.796 8.585 0.211 1
1 132 . 4 1 1 A 16 16 SER HA H 16 3.006 3.469 -0.463 1
1 135 . 4 1 1 A 16 16 SER CA C 16 61.150 61.509 -0.359 1
1 136 . 4 1 1 A 16 16 SER CB C 16 61.849 62.599 -0.750 1
1 137 . 4 1 1 A 17 17 ASN H H 17 8.281 7.954 0.327 1
1 138 . 4 1 1 A 17 17 ASN HA H 17 4.679 4.382 0.297 1
1 143 . 4 1 1 A 17 17 ASN CA C 17 56.624 56.750 -0.126 1
1 144 . 4 1 1 A 17 17 ASN CB C 17 38.066 38.824 -0.758 1
1 145 . 4 1 1 A 18 18 THR H H 18 9.130 7.990 1.140 1
1 146 . 4 1 1 A 18 18 THR HA H 18 3.888 3.764 0.124 1
1 151 . 4 1 1 A 18 18 THR CA C 18 65.897 66.007 -0.110 1
1 152 . 4 1 1 A 18 18 THR CB C 18 67.277 68.240 -0.963 1
1 154 . 4 1 1 A 19 19 ALA H H 19 8.516 8.096 0.420 1
1 155 . 4 1 1 A 19 19 ALA HA H 19 4.049 3.708 0.341 1
1 159 . 4 1 1 A 19 19 ALA CA C 19 55.280 55.132 0.148 1
1 160 . 4 1 1 A 19 19 ALA CB C 19 19.411 18.810 0.601 1
1 161 . 4 1 1 A 20 20 TRP H H 20 9.036 8.766 0.270 1
1 162 . 4 1 1 A 20 20 TRP HA H 20 4.110 4.317 -0.207 1
1 171 . 4 1 1 A 20 20 TRP CA C 20 61.191 61.711 -0.520 1
1 172 . 4 1 1 A 20 20 TRP CB C 20 28.615 29.778 -1.163 1
1 178 . 4 1 1 A 21 21 THR H H 21 8.630 8.493 0.137 1
1 179 . 4 1 1 A 21 21 THR HA H 21 3.650 4.166 -0.516 1
1 184 . 4 1 1 A 21 21 THR CA C 21 66.297 66.715 -0.418 1
1 185 . 4 1 1 A 21 21 THR CB C 21 68.329 68.351 -0.022 1
1 187 . 4 1 1 A 22 22 THR H H 22 8.509 7.850 0.659 1
1 188 . 4 1 1 A 22 22 THR HA H 22 3.605 3.797 -0.192 1
1 193 . 4 1 1 A 22 22 THR CA C 22 66.625 66.746 -0.121 1
1 194 . 4 1 1 A 22 22 THR CB C 22 67.818 68.340 -0.522 1
1 196 . 4 1 1 A 23 23 CYS H H 23 8.357 8.372 -0.015 1
1 197 . 4 1 1 A 23 23 CYS HA H 23 4.332 4.531 -0.199 1
1 200 . 4 1 1 A 23 23 CYS CA C 23 57.046 59.518 -2.472 1
1 201 . 4 1 1 A 23 23 CYS CB C 23 40.331 42.155 -1.824 1
1 202 . 4 1 1 A 24 24 THR H H 24 7.178 7.377 -0.199 1
1 203 . 4 1 1 A 24 24 THR HA H 24 4.437 4.320 0.117 1
1 208 . 4 1 1 A 24 24 THR CA C 24 60.381 62.281 -1.900 1
1 209 . 4 1 1 A 24 24 THR CB C 24 70.672 69.317 1.355 1
1 211 . 4 1 1 A 25 25 THR H H 25 7.220 7.351 -0.131 1
1 212 . 4 1 1 A 25 25 THR HA H 25 5.154 5.075 0.079 1
1 217 . 4 1 1 A 25 25 THR CA C 25 59.059 58.626 0.433 1
1 218 . 4 1 1 A 25 25 THR CB C 25 69.107 70.479 -1.372 1
1 220 . 4 1 1 A 26 26 PRO HA H 26 4.549 4.646 -0.097 1
1 227 . 4 1 1 A 26 26 PRO CA C 26 64.733 63.479 1.254 1
1 228 . 4 1 1 A 26 26 PRO CB C 26 32.055 31.912 0.143 1
1 231 . 4 1 1 A 27 27 GLY H H 27 9.118 8.026 1.092 1
1 232 . 4 1 1 A 27 27 GLY HA2 H 27 4.555 4.246 0.309 1
1 233 . 4 1 1 A 27 27 GLY HA3 H 27 3.937 4.258 -0.321 1
1 234 . 4 1 1 A 27 27 GLY CA C 27 43.918 45.629 -1.711 1
1 235 . 4 1 1 A 28 28 GLN H H 28 8.971 8.823 0.148 1
1 236 . 4 1 1 A 28 28 GLN HA H 28 4.167 4.183 -0.016 1
1 243 . 4 1 1 A 28 28 GLN CA C 28 58.650 57.781 0.869 1
1 244 . 4 1 1 A 28 28 GLN CB C 28 28.853 28.109 0.744 1
1 246 . 4 1 1 A 29 29 THR H H 29 8.533 7.657 0.876 1
1 247 . 4 1 1 A 29 29 THR HA H 29 4.499 4.688 -0.189 1
1 252 . 4 1 1 A 29 29 THR CA C 29 59.513 59.807 -0.294 1
1 253 . 4 1 1 A 29 29 THR CB C 29 68.879 68.925 -0.046 1
1 255 . 4 1 1 A 30 30 CYS H H 30 7.040 8.547 -1.507 1
1 256 . 4 1 1 A 30 30 CYS HA H 30 3.823 4.582 -0.759 1
1 259 . 4 1 1 A 30 30 CYS CA C 30 59.787 58.823 0.964 1
1 260 . 4 1 1 A 30 30 CYS CB C 30 41.483 28.190 13.293 1
1 261 . 4 1 1 A 31 31 TYR H H 31 9.732 8.610 1.122 1
1 262 . 4 1 1 A 31 31 TYR HA H 31 3.780 4.024 -0.244 1
1 269 . 4 1 1 A 31 31 TYR CA C 31 64.210 61.837 2.373 1
1 270 . 4 1 1 A 31 31 TYR CB C 31 39.118 38.766 0.352 1
1 273 . 4 1 1 A 32 32 THR H H 32 9.792 7.898 1.894 1
1 274 . 4 1 1 A 32 32 THR HA H 32 4.050 3.901 0.149 1
1 279 . 4 1 1 A 32 32 THR CA C 32 66.055 65.941 0.114 1
1 280 . 4 1 1 A 32 32 THR CB C 32 68.541 68.062 0.479 1
1 282 . 4 1 1 A 33 33 CYS H H 33 8.845 8.718 0.127 1
1 283 . 4 1 1 A 33 33 CYS HA H 33 4.948 4.144 0.804 1
1 286 . 4 1 1 A 33 33 CYS CB C 33 37.503 41.620 -4.117 1
1 287 . 4 1 1 A 34 34 CYS H H 34 8.129 7.812 0.317 1
1 288 . 4 1 1 A 34 34 CYS HA H 34 4.718 4.244 0.474 1
1 291 . 4 1 1 A 34 34 CYS CB C 34 33.988 41.305 -7.317 1
1 292 . 4 1 1 A 35 35 SER H H 35 7.542 8.137 -0.595 1
1 293 . 4 1 1 A 35 35 SER HA H 35 4.404 4.259 0.145 1
1 296 . 4 1 1 A 35 35 SER CA C 35 59.877 60.928 -1.051 1
1 297 . 4 1 1 A 35 35 SER CB C 35 63.139 63.191 -0.052 1
1 298 . 4 1 1 A 36 36 SER H H 36 7.129 7.835 -0.706 1
1 299 . 4 1 1 A 36 36 SER HA H 36 4.692 4.575 0.117 1
1 302 . 4 1 1 A 36 36 SER CB C 36 62.611 63.803 -1.192 1
1 303 . 4 1 1 A 37 37 CYS H H 37 7.752 7.638 0.114 1
1 304 . 4 1 1 A 37 37 CYS HA H 37 4.464 4.689 -0.225 1
1 307 . 4 1 1 A 37 37 CYS CA C 37 59.010 56.173 2.837 1
1 308 . 4 1 1 A 37 37 CYS CB C 37 48.093 44.386 3.707 1
1 309 . 4 1 1 A 38 38 PHE H H 38 7.013 7.877 -0.864 1
1 310 . 4 1 1 A 38 38 PHE HA H 38 5.633 5.379 0.254 1
1 317 . 4 1 1 A 38 38 PHE CA C 38 55.379 56.557 -1.178 1
1 318 . 4 1 1 A 38 38 PHE CB C 38 42.836 43.440 -0.604 1
1 322 . 4 1 1 A 39 39 ASP H H 39 8.871 9.069 -0.198 1
1 323 . 4 1 1 A 39 39 ASP HA H 39 4.392 4.697 -0.305 1
1 326 . 4 1 1 A 39 39 ASP CA C 39 52.467 54.551 -2.084 1
1 327 . 4 1 1 A 39 39 ASP CB C 39 39.511 42.057 -2.546 1
1 328 . 4 1 1 A 40 40 VAL H H 40 8.003 8.571 -0.568 1
1 329 . 4 1 1 A 40 40 VAL HA H 40 3.985 3.714 0.271 1
1 337 . 4 1 1 A 40 40 VAL CA C 40 65.558 65.264 0.294 1
1 338 . 4 1 1 A 40 40 VAL CB C 40 29.014 31.712 -2.698 1
1 341 . 4 1 1 A 41 41 VAL H H 41 7.493 7.970 -0.477 1
1 342 . 4 1 1 A 41 41 VAL HA H 41 3.528 3.391 0.137 1
1 350 . 4 1 1 A 41 41 VAL CA C 41 65.014 65.979 -0.965 1
1 351 . 4 1 1 A 41 41 VAL CB C 41 31.518 31.181 0.337 1
1 354 . 4 1 1 A 42 42 GLY H H 42 8.730 8.046 0.684 1
1 355 . 4 1 1 A 42 42 GLY HA2 H 42 2.573 3.334 -0.761 1
1 356 . 4 1 1 A 42 42 GLY HA3 H 42 3.224 3.935 -0.711 1
1 357 . 4 1 1 A 42 42 GLY CA C 42 47.496 46.941 0.555 1
1 358 . 4 1 1 A 43 43 GLU H H 43 10.197 8.620 1.577 1
1 359 . 4 1 1 A 43 43 GLU HA H 43 3.776 4.133 -0.357 1
1 364 . 4 1 1 A 43 43 GLU CA C 43 58.892 59.449 -0.557 1
1 365 . 4 1 1 A 43 43 GLU CB C 43 29.300 29.118 0.182 1
1 367 . 4 1 1 A 44 44 GLN H H 44 6.648 7.909 -1.261 1
1 368 . 4 1 1 A 44 44 GLN HA H 44 4.028 3.953 0.075 1
1 375 . 4 1 1 A 44 44 GLN CA C 44 57.875 58.331 -0.456 1
1 376 . 4 1 1 A 44 44 GLN CB C 44 27.790 28.792 -1.002 1
1 378 . 4 1 1 A 45 45 ALA H H 45 7.131 7.554 -0.423 1
1 379 . 4 1 1 A 45 45 ALA HA H 45 4.076 4.042 0.034 1
1 383 . 4 1 1 A 45 45 ALA CA C 45 54.601 55.142 -0.541 1
1 384 . 4 1 1 A 45 45 ALA CB C 45 17.623 17.896 -0.273 1
1 385 . 4 1 1 A 46 46 CYS H H 46 8.934 8.077 0.857 1
1 386 . 4 1 1 A 46 46 CYS HA H 46 3.116 3.365 -0.249 1
1 389 . 4 1 1 A 46 46 CYS CA C 46 58.321 58.859 -0.538 1
1 390 . 4 1 1 A 47 47 GLN H H 47 8.360 8.345 0.015 1
1 391 . 4 1 1 A 47 47 GLN HA H 47 3.352 3.882 -0.530 1
1 398 . 4 1 1 A 47 47 GLN CA C 47 58.364 57.931 0.433 1
1 399 . 4 1 1 A 47 47 GLN CB C 47 26.924 28.094 -1.170 1
1 401 . 4 1 1 A 48 48 MET H H 48 8.112 7.829 0.283 1
1 402 . 4 1 1 A 48 48 MET HA H 48 4.379 4.414 -0.035 1
1 407 . 4 1 1 A 48 48 MET CA C 48 57.081 57.940 -0.859 1
1 408 . 4 1 1 A 48 48 MET CB C 48 31.934 32.915 -0.981 1
1 410 . 4 1 1 A 49 49 SER H H 49 7.672 7.377 0.295 1
1 411 . 4 1 1 A 49 49 SER HA H 49 4.536 4.500 0.036 1
1 414 . 4 1 1 A 49 49 SER CA C 49 59.206 58.889 0.317 1
1 415 . 4 1 1 A 49 49 SER CB C 49 63.792 64.192 -0.400 1
1 416 . 4 1 1 A 50 50 ALA H H 50 7.602 7.577 0.025 1
1 417 . 4 1 1 A 50 50 ALA HA H 50 4.187 4.270 -0.083 1
1 421 . 4 1 1 A 50 50 ALA CA C 50 52.637 52.050 0.587 1
1 422 . 4 1 1 A 50 50 ALA CB C 50 17.896 20.362 -2.466 1
1 423 . 4 1 1 A 51 51 GLN H H 51 8.004 8.800 -0.796 1
1 424 . 4 1 1 A 51 51 GLN HA H 51 4.584 4.864 -0.280 1
1 431 . 4 1 1 A 51 51 GLN CA C 51 54.256 54.679 -0.423 1
1 432 . 4 1 1 A 51 51 GLN CB C 51 28.525 29.546 -1.021 1
1 8 . 5 1 1 A 2 2 PRO HA H 2 3.996 4.146 -0.150 1
1 15 . 5 1 1 A 2 2 PRO CA C 2 66.442 64.758 1.684 1
1 16 . 5 1 1 A 2 2 PRO CB C 2 30.824 31.295 -0.471 1
1 19 . 5 1 1 A 3 3 GLU H H 3 8.359 8.025 0.334 1
1 20 . 5 1 1 A 3 3 GLU HA H 3 4.085 4.063 0.022 1
1 25 . 5 1 1 A 3 3 GLU CA C 3 58.481 59.228 -0.747 1
1 26 . 5 1 1 A 3 3 GLU CB C 3 28.167 29.037 -0.870 1
1 28 . 5 1 1 A 4 4 ASP H H 4 7.555 7.438 0.117 1
1 29 . 5 1 1 A 4 4 ASP HA H 4 4.379 4.318 0.061 1
1 32 . 5 1 1 A 4 4 ASP CA C 4 55.752 56.289 -0.537 1
1 33 . 5 1 1 A 4 4 ASP CB C 4 40.237 40.216 0.021 1
1 34 . 5 1 1 A 5 5 TRP H H 5 7.357 7.666 -0.309 1
1 35 . 5 1 1 A 5 5 TRP HA H 5 5.331 4.989 0.342 1
1 44 . 5 1 1 A 5 5 TRP CA C 5 54.949 56.934 -1.985 1
1 45 . 5 1 1 A 5 5 TRP CB C 5 31.983 30.282 1.701 1
1 51 . 5 1 1 A 6 6 PHE H H 6 7.664 7.462 0.202 1
1 52 . 5 1 1 A 6 6 PHE HA H 6 5.144 4.784 0.360 1
1 60 . 5 1 1 A 6 6 PHE CB C 6 39.765 39.645 0.120 1
1 64 . 5 1 1 A 7 7 THR H H 7 8.099 8.246 -0.147 1
1 65 . 5 1 1 A 7 7 THR HA H 7 4.628 5.033 -0.405 1
1 70 . 5 1 1 A 7 7 THR CA C 7 53.988 58.867 -4.879 1
1 71 . 5 1 1 A 7 7 THR CB C 7 69.001 70.224 -1.223 1
1 73 . 5 1 1 A 8 8 PRO HA H 8 3.311 4.068 -0.757 1
1 80 . 5 1 1 A 8 8 PRO CA C 8 63.015 64.378 -1.363 1
1 81 . 5 1 1 A 8 8 PRO CB C 8 31.169 31.966 -0.797 1
1 84 . 5 1 1 A 9 9 ASP H H 9 8.798 8.509 0.289 1
1 85 . 5 1 1 A 9 9 ASP HA H 9 4.249 4.433 -0.184 1
1 88 . 5 1 1 A 9 9 ASP CA C 9 56.899 55.953 0.946 1
1 89 . 5 1 1 A 9 9 ASP CB C 9 39.412 40.341 -0.929 1
1 90 . 5 1 1 A 10 10 THR H H 10 6.936 7.799 -0.863 1
1 91 . 5 1 1 A 10 10 THR HA H 10 4.405 4.362 0.043 1
1 96 . 5 1 1 A 10 10 THR CA C 10 59.512 62.453 -2.941 1
1 97 . 5 1 1 A 10 10 THR CB C 10 68.463 69.917 -1.454 1
1 99 . 5 1 1 A 11 11 CYS H H 11 7.158 7.845 -0.687 1
1 100 . 5 1 1 A 11 11 CYS HA H 11 4.563 4.808 -0.245 1
1 103 . 5 1 1 A 11 11 CYS CB C 11 40.355 45.184 -4.829 1
1 104 . 5 1 1 A 12 12 ALA H H 12 8.807 8.672 0.135 1
1 105 . 5 1 1 A 12 12 ALA HA H 12 3.909 4.321 -0.412 1
1 109 . 5 1 1 A 12 12 ALA CA C 12 52.884 51.433 1.451 1
1 110 . 5 1 1 A 12 12 ALA CB C 12 17.564 17.870 -0.306 1
1 111 . 5 1 1 A 13 13 TYR H H 13 7.510 7.414 0.096 1
1 112 . 5 1 1 A 13 13 TYR HA H 13 4.841 5.091 -0.250 1
1 119 . 5 1 1 A 13 13 TYR CB C 13 38.900 43.355 -4.455 1
1 122 . 5 1 1 A 14 14 GLY H H 14 9.002 8.673 0.329 1
1 123 . 5 1 1 A 14 14 GLY HA2 H 14 4.144 4.312 -0.168 1
1 124 . 5 1 1 A 14 14 GLY HA3 H 14 3.971 4.438 -0.467 1
1 125 . 5 1 1 A 14 14 GLY CA C 14 46.044 45.828 0.216 1
1 126 . 5 1 1 A 15 15 ASP H H 15 7.322 7.787 -0.465 1
1 127 . 5 1 1 A 15 15 ASP HA H 15 4.789 4.938 -0.149 1
1 130 . 5 1 1 A 15 15 ASP CB C 15 43.563 44.433 -0.870 1
1 131 . 5 1 1 A 16 16 SER H H 16 8.796 8.652 0.144 1
1 132 . 5 1 1 A 16 16 SER HA H 16 3.006 4.427 -1.421 1
1 135 . 5 1 1 A 16 16 SER CA C 16 61.150 61.468 -0.318 1
1 136 . 5 1 1 A 16 16 SER CB C 16 61.849 62.586 -0.737 1
1 137 . 5 1 1 A 17 17 ASN H H 17 8.281 7.961 0.320 1
1 138 . 5 1 1 A 17 17 ASN HA H 17 4.679 4.523 0.156 1
1 143 . 5 1 1 A 17 17 ASN CA C 17 56.624 56.736 -0.112 1
1 144 . 5 1 1 A 17 17 ASN CB C 17 38.066 39.046 -0.980 1
1 145 . 5 1 1 A 18 18 THR H H 18 9.130 8.236 0.894 1
1 146 . 5 1 1 A 18 18 THR HA H 18 3.888 3.981 -0.093 1
1 151 . 5 1 1 A 18 18 THR CA C 18 65.897 66.096 -0.199 1
1 152 . 5 1 1 A 18 18 THR CB C 18 67.277 68.443 -1.166 1
1 154 . 5 1 1 A 19 19 ALA H H 19 8.516 8.399 0.117 1
1 155 . 5 1 1 A 19 19 ALA HA H 19 4.049 3.668 0.381 1
1 159 . 5 1 1 A 19 19 ALA CA C 19 55.280 55.161 0.119 1
1 160 . 5 1 1 A 19 19 ALA CB C 19 19.411 19.185 0.226 1
1 161 . 5 1 1 A 20 20 TRP H H 20 9.036 8.643 0.393 1
1 162 . 5 1 1 A 20 20 TRP HA H 20 4.110 4.511 -0.401 1
1 171 . 5 1 1 A 20 20 TRP CA C 20 61.191 61.792 -0.601 1
1 172 . 5 1 1 A 20 20 TRP CB C 20 28.615 29.497 -0.882 1
1 178 . 5 1 1 A 21 21 THR H H 21 8.630 8.876 -0.246 1
1 179 . 5 1 1 A 21 21 THR HA H 21 3.650 4.053 -0.403 1
1 184 . 5 1 1 A 21 21 THR CA C 21 66.297 66.414 -0.117 1
1 185 . 5 1 1 A 21 21 THR CB C 21 68.329 68.887 -0.558 1
1 187 . 5 1 1 A 22 22 THR H H 22 8.509 7.869 0.640 1
1 188 . 5 1 1 A 22 22 THR HA H 22 3.605 3.750 -0.145 1
1 193 . 5 1 1 A 22 22 THR CA C 22 66.625 66.874 -0.249 1
1 194 . 5 1 1 A 22 22 THR CB C 22 67.818 67.936 -0.118 1
1 196 . 5 1 1 A 23 23 CYS H H 23 8.357 8.429 -0.072 1
1 197 . 5 1 1 A 23 23 CYS HA H 23 4.332 4.282 0.050 1
1 200 . 5 1 1 A 23 23 CYS CA C 23 57.046 57.903 -0.857 1
1 201 . 5 1 1 A 23 23 CYS CB C 23 40.331 41.525 -1.194 1
1 202 . 5 1 1 A 24 24 THR H H 24 7.178 7.547 -0.369 1
1 203 . 5 1 1 A 24 24 THR HA H 24 4.437 4.661 -0.224 1
1 208 . 5 1 1 A 24 24 THR CA C 24 60.381 60.830 -0.449 1
1 209 . 5 1 1 A 24 24 THR CB C 24 70.672 69.585 1.087 1
1 211 . 5 1 1 A 25 25 THR H H 25 7.220 7.371 -0.151 1
1 212 . 5 1 1 A 25 25 THR HA H 25 5.154 5.123 0.031 1
1 217 . 5 1 1 A 25 25 THR CA C 25 59.059 58.658 0.401 1
1 218 . 5 1 1 A 25 25 THR CB C 25 69.107 70.616 -1.509 1
1 220 . 5 1 1 A 26 26 PRO HA H 26 4.549 4.678 -0.129 1
1 227 . 5 1 1 A 26 26 PRO CA C 26 64.733 62.806 1.927 1
1 228 . 5 1 1 A 26 26 PRO CB C 26 32.055 31.680 0.375 1
1 231 . 5 1 1 A 27 27 GLY H H 27 9.118 7.947 1.171 1
1 232 . 5 1 1 A 27 27 GLY HA2 H 27 4.555 4.267 0.288 1
1 233 . 5 1 1 A 27 27 GLY HA3 H 27 3.937 4.273 -0.336 1
1 234 . 5 1 1 A 27 27 GLY CA C 27 43.918 45.341 -1.423 1
1 235 . 5 1 1 A 28 28 GLN H H 28 8.971 8.902 0.069 1
1 236 . 5 1 1 A 28 28 GLN HA H 28 4.167 4.174 -0.007 1
1 243 . 5 1 1 A 28 28 GLN CA C 28 58.650 57.853 0.797 1
1 244 . 5 1 1 A 28 28 GLN CB C 28 28.853 28.252 0.601 1
1 246 . 5 1 1 A 29 29 THR H H 29 8.533 7.654 0.879 1
1 247 . 5 1 1 A 29 29 THR HA H 29 4.499 4.658 -0.159 1
1 252 . 5 1 1 A 29 29 THR CA C 29 59.513 60.253 -0.740 1
1 253 . 5 1 1 A 29 29 THR CB C 29 68.879 69.707 -0.828 1
1 255 . 5 1 1 A 30 30 CYS H H 30 7.040 8.794 -1.754 1
1 256 . 5 1 1 A 30 30 CYS HA H 30 3.823 4.779 -0.956 1
1 259 . 5 1 1 A 30 30 CYS CA C 30 59.787 58.649 1.138 1
1 260 . 5 1 1 A 30 30 CYS CB C 30 41.483 28.136 13.347 1
1 261 . 5 1 1 A 31 31 TYR H H 31 9.732 8.561 1.171 1
1 262 . 5 1 1 A 31 31 TYR HA H 31 3.780 4.018 -0.238 1
1 269 . 5 1 1 A 31 31 TYR CA C 31 64.210 61.746 2.464 1
1 270 . 5 1 1 A 31 31 TYR CB C 31 39.118 38.542 0.576 1
1 273 . 5 1 1 A 32 32 THR H H 32 9.792 7.916 1.876 1
1 274 . 5 1 1 A 32 32 THR HA H 32 4.050 3.874 0.176 1
1 279 . 5 1 1 A 32 32 THR CA C 32 66.055 66.080 -0.025 1
1 280 . 5 1 1 A 32 32 THR CB C 32 68.541 68.106 0.435 1
1 282 . 5 1 1 A 33 33 CYS H H 33 8.845 8.607 0.238 1
1 283 . 5 1 1 A 33 33 CYS HA H 33 4.948 3.968 0.980 1
1 286 . 5 1 1 A 33 33 CYS CB C 33 37.503 41.567 -4.064 1
1 287 . 5 1 1 A 34 34 CYS H H 34 8.129 8.033 0.096 1
1 288 . 5 1 1 A 34 34 CYS HA H 34 4.718 4.204 0.514 1
1 291 . 5 1 1 A 34 34 CYS CB C 34 33.988 41.261 -7.273 1
1 292 . 5 1 1 A 35 35 SER H H 35 7.542 7.718 -0.176 1
1 293 . 5 1 1 A 35 35 SER HA H 35 4.404 4.106 0.298 1
1 296 . 5 1 1 A 35 35 SER CA C 35 59.877 61.323 -1.446 1
1 297 . 5 1 1 A 35 35 SER CB C 35 63.139 62.847 0.292 1
1 298 . 5 1 1 A 36 36 SER H H 36 7.129 7.578 -0.449 1
1 299 . 5 1 1 A 36 36 SER HA H 36 4.692 4.287 0.405 1
1 302 . 5 1 1 A 36 36 SER CB C 36 62.611 63.313 -0.702 1
1 303 . 5 1 1 A 37 37 CYS H H 37 7.752 7.616 0.136 1
1 304 . 5 1 1 A 37 37 CYS HA H 37 4.464 4.510 -0.046 1
1 307 . 5 1 1 A 37 37 CYS CA C 37 59.010 56.034 2.976 1
1 308 . 5 1 1 A 37 37 CYS CB C 37 48.093 44.042 4.051 1
1 309 . 5 1 1 A 38 38 PHE H H 38 7.013 7.642 -0.629 1
1 310 . 5 1 1 A 38 38 PHE HA H 38 5.633 5.411 0.222 1
1 317 . 5 1 1 A 38 38 PHE CA C 38 55.379 56.852 -1.473 1
1 318 . 5 1 1 A 38 38 PHE CB C 38 42.836 43.524 -0.688 1
1 322 . 5 1 1 A 39 39 ASP H H 39 8.871 8.449 0.422 1
1 323 . 5 1 1 A 39 39 ASP HA H 39 4.392 4.727 -0.335 1
1 326 . 5 1 1 A 39 39 ASP CA C 39 52.467 54.236 -1.769 1
1 327 . 5 1 1 A 39 39 ASP CB C 39 39.511 42.122 -2.611 1
1 328 . 5 1 1 A 40 40 VAL H H 40 8.003 8.488 -0.485 1
1 329 . 5 1 1 A 40 40 VAL HA H 40 3.985 3.776 0.209 1
1 337 . 5 1 1 A 40 40 VAL CA C 40 65.558 65.236 0.322 1
1 338 . 5 1 1 A 40 40 VAL CB C 40 29.014 31.757 -2.743 1
1 341 . 5 1 1 A 41 41 VAL H H 41 7.493 7.828 -0.335 1
1 342 . 5 1 1 A 41 41 VAL HA H 41 3.528 3.450 0.078 1
1 350 . 5 1 1 A 41 41 VAL CA C 41 65.014 66.079 -1.065 1
1 351 . 5 1 1 A 41 41 VAL CB C 41 31.518 31.212 0.306 1
1 354 . 5 1 1 A 42 42 GLY H H 42 8.730 8.045 0.685 1
1 355 . 5 1 1 A 42 42 GLY HA2 H 42 2.573 3.238 -0.665 1
1 356 . 5 1 1 A 42 42 GLY HA3 H 42 3.224 3.891 -0.667 1
1 357 . 5 1 1 A 42 42 GLY CA C 42 47.496 46.610 0.886 1
1 358 . 5 1 1 A 43 43 GLU H H 43 10.197 8.618 1.579 1
1 359 . 5 1 1 A 43 43 GLU HA H 43 3.776 4.209 -0.433 1
1 364 . 5 1 1 A 43 43 GLU CA C 43 58.892 59.556 -0.664 1
1 365 . 5 1 1 A 43 43 GLU CB C 43 29.300 29.565 -0.265 1
1 367 . 5 1 1 A 44 44 GLN H H 44 6.648 7.608 -0.960 1
1 368 . 5 1 1 A 44 44 GLN HA H 44 4.028 3.990 0.038 1
1 375 . 5 1 1 A 44 44 GLN CA C 44 57.875 58.459 -0.584 1
1 376 . 5 1 1 A 44 44 GLN CB C 44 27.790 28.629 -0.839 1
1 378 . 5 1 1 A 45 45 ALA H H 45 7.131 7.828 -0.697 1
1 379 . 5 1 1 A 45 45 ALA HA H 45 4.076 4.040 0.036 1
1 383 . 5 1 1 A 45 45 ALA CA C 45 54.601 55.333 -0.732 1
1 384 . 5 1 1 A 45 45 ALA CB C 45 17.623 17.453 0.170 1
1 385 . 5 1 1 A 46 46 CYS H H 46 8.934 8.373 0.561 1
1 386 . 5 1 1 A 46 46 CYS HA H 46 3.116 3.245 -0.129 1
1 389 . 5 1 1 A 46 46 CYS CA C 46 58.321 59.063 -0.742 1
1 390 . 5 1 1 A 47 47 GLN H H 47 8.360 8.445 -0.085 1
1 391 . 5 1 1 A 47 47 GLN HA H 47 3.352 3.678 -0.326 1
1 398 . 5 1 1 A 47 47 GLN CA C 47 58.364 58.924 -0.560 1
1 399 . 5 1 1 A 47 47 GLN CB C 47 26.924 27.695 -0.771 1
1 401 . 5 1 1 A 48 48 MET H H 48 8.112 8.534 -0.422 1
1 402 . 5 1 1 A 48 48 MET HA H 48 4.379 4.343 0.036 1
1 407 . 5 1 1 A 48 48 MET CA C 48 57.081 57.328 -0.247 1
1 408 . 5 1 1 A 48 48 MET CB C 48 31.934 32.264 -0.330 1
1 410 . 5 1 1 A 49 49 SER H H 49 7.672 7.731 -0.059 1
1 411 . 5 1 1 A 49 49 SER HA H 49 4.536 4.533 0.003 1
1 414 . 5 1 1 A 49 49 SER CA C 49 59.206 59.184 0.022 1
1 415 . 5 1 1 A 49 49 SER CB C 49 63.792 64.161 -0.369 1
1 416 . 5 1 1 A 50 50 ALA H H 50 7.602 7.510 0.092 1
1 417 . 5 1 1 A 50 50 ALA HA H 50 4.187 4.205 -0.018 1
1 421 . 5 1 1 A 50 50 ALA CA C 50 52.637 52.901 -0.264 1
1 422 . 5 1 1 A 50 50 ALA CB C 50 17.896 19.686 -1.790 1
1 423 . 5 1 1 A 51 51 GLN H H 51 8.004 8.718 -0.714 1
1 424 . 5 1 1 A 51 51 GLN HA H 51 4.584 5.070 -0.486 1
1 431 . 5 1 1 A 51 51 GLN CA C 51 54.256 54.693 -0.437 1
1 432 . 5 1 1 A 51 51 GLN CB C 51 28.525 31.728 -3.203 1
1 8 . 6 1 1 A 2 2 PRO HA H 2 3.996 4.840 -0.844 1
1 15 . 6 1 1 A 2 2 PRO CA C 2 66.442 64.106 2.336 1
1 16 . 6 1 1 A 2 2 PRO CB C 2 30.824 31.973 -1.149 1
1 19 . 6 1 1 A 3 3 GLU H H 3 8.359 8.234 0.125 1
1 20 . 6 1 1 A 3 3 GLU HA H 3 4.085 3.984 0.101 1
1 25 . 6 1 1 A 3 3 GLU CA C 3 58.481 59.425 -0.944 1
1 26 . 6 1 1 A 3 3 GLU CB C 3 28.167 29.720 -1.553 1
1 28 . 6 1 1 A 4 4 ASP H H 4 7.555 8.179 -0.624 1
1 29 . 6 1 1 A 4 4 ASP HA H 4 4.379 4.238 0.141 1
1 32 . 6 1 1 A 4 4 ASP CA C 4 55.752 56.626 -0.874 1
1 33 . 6 1 1 A 4 4 ASP CB C 4 40.237 40.495 -0.258 1
1 34 . 6 1 1 A 5 5 TRP H H 5 7.357 7.785 -0.428 1
1 35 . 6 1 1 A 5 5 TRP HA H 5 5.331 4.931 0.400 1
1 44 . 6 1 1 A 5 5 TRP CA C 5 54.949 56.784 -1.835 1
1 45 . 6 1 1 A 5 5 TRP CB C 5 31.983 30.089 1.894 1
1 51 . 6 1 1 A 6 6 PHE H H 6 7.664 7.381 0.283 1
1 52 . 6 1 1 A 6 6 PHE HA H 6 5.144 3.697 1.447 1
1 60 . 6 1 1 A 6 6 PHE CB C 6 39.765 39.304 0.461 1
1 64 . 6 1 1 A 7 7 THR H H 7 8.099 7.700 0.399 1
1 65 . 6 1 1 A 7 7 THR HA H 7 4.628 4.913 -0.285 1
1 70 . 6 1 1 A 7 7 THR CA C 7 53.988 58.714 -4.726 1
1 71 . 6 1 1 A 7 7 THR CB C 7 69.001 69.791 -0.790 1
1 73 . 6 1 1 A 8 8 PRO HA H 8 3.311 4.169 -0.858 1
1 80 . 6 1 1 A 8 8 PRO CA C 8 63.015 64.099 -1.084 1
1 81 . 6 1 1 A 8 8 PRO CB C 8 31.169 31.780 -0.611 1
1 84 . 6 1 1 A 9 9 ASP H H 9 8.798 8.460 0.338 1
1 85 . 6 1 1 A 9 9 ASP HA H 9 4.249 4.372 -0.123 1
1 88 . 6 1 1 A 9 9 ASP CA C 9 56.899 56.754 0.145 1
1 89 . 6 1 1 A 9 9 ASP CB C 9 39.412 40.663 -1.251 1
1 90 . 6 1 1 A 10 10 THR H H 10 6.936 7.628 -0.692 1
1 91 . 6 1 1 A 10 10 THR HA H 10 4.405 4.278 0.127 1
1 96 . 6 1 1 A 10 10 THR CA C 10 59.512 63.070 -3.558 1
1 97 . 6 1 1 A 10 10 THR CB C 10 68.463 69.390 -0.927 1
1 99 . 6 1 1 A 11 11 CYS H H 11 7.158 7.610 -0.452 1
1 100 . 6 1 1 A 11 11 CYS HA H 11 4.563 4.834 -0.271 1
1 103 . 6 1 1 A 11 11 CYS CB C 11 40.355 44.096 -3.741 1
1 104 . 6 1 1 A 12 12 ALA H H 12 8.807 8.512 0.295 1
1 105 . 6 1 1 A 12 12 ALA HA H 12 3.909 4.248 -0.339 1
1 109 . 6 1 1 A 12 12 ALA CA C 12 52.884 52.209 0.675 1
1 110 . 6 1 1 A 12 12 ALA CB C 12 17.564 19.234 -1.670 1
1 111 . 6 1 1 A 13 13 TYR H H 13 7.510 7.713 -0.203 1
1 112 . 6 1 1 A 13 13 TYR HA H 13 4.841 5.210 -0.369 1
1 119 . 6 1 1 A 13 13 TYR CB C 13 38.900 42.581 -3.681 1
1 122 . 6 1 1 A 14 14 GLY H H 14 9.002 8.685 0.317 1
1 123 . 6 1 1 A 14 14 GLY HA2 H 14 4.144 4.172 -0.028 1
1 124 . 6 1 1 A 14 14 GLY HA3 H 14 3.971 4.370 -0.399 1
1 125 . 6 1 1 A 14 14 GLY CA C 14 46.044 45.608 0.436 1
1 126 . 6 1 1 A 15 15 ASP H H 15 7.322 7.950 -0.628 1
1 127 . 6 1 1 A 15 15 ASP HA H 15 4.789 4.620 0.169 1
1 130 . 6 1 1 A 15 15 ASP CB C 15 43.563 42.797 0.766 1
1 131 . 6 1 1 A 16 16 SER H H 16 8.796 8.598 0.198 1
1 132 . 6 1 1 A 16 16 SER HA H 16 3.006 4.346 -1.340 1
1 135 . 6 1 1 A 16 16 SER CA C 16 61.150 61.950 -0.800 1
1 136 . 6 1 1 A 16 16 SER CB C 16 61.849 62.353 -0.504 1
1 137 . 6 1 1 A 17 17 ASN H H 17 8.281 8.171 0.110 1
1 138 . 6 1 1 A 17 17 ASN HA H 17 4.679 4.474 0.205 1
1 143 . 6 1 1 A 17 17 ASN CA C 17 56.624 56.560 0.064 1
1 144 . 6 1 1 A 17 17 ASN CB C 17 38.066 38.347 -0.281 1
1 145 . 6 1 1 A 18 18 THR H H 18 9.130 8.297 0.833 1
1 146 . 6 1 1 A 18 18 THR HA H 18 3.888 3.843 0.045 1
1 151 . 6 1 1 A 18 18 THR CA C 18 65.897 66.537 -0.640 1
1 152 . 6 1 1 A 18 18 THR CB C 18 67.277 68.666 -1.389 1
1 154 . 6 1 1 A 19 19 ALA H H 19 8.516 8.593 -0.077 1
1 155 . 6 1 1 A 19 19 ALA HA H 19 4.049 4.345 -0.296 1
1 159 . 6 1 1 A 19 19 ALA CA C 19 55.280 55.418 -0.138 1
1 160 . 6 1 1 A 19 19 ALA CB C 19 19.411 19.029 0.382 1
1 161 . 6 1 1 A 20 20 TRP H H 20 9.036 8.623 0.413 1
1 162 . 6 1 1 A 20 20 TRP HA H 20 4.110 4.163 -0.053 1
1 171 . 6 1 1 A 20 20 TRP CA C 20 61.191 61.665 -0.474 1
1 172 . 6 1 1 A 20 20 TRP CB C 20 28.615 29.452 -0.837 1
1 178 . 6 1 1 A 21 21 THR H H 21 8.630 8.593 0.037 1
1 179 . 6 1 1 A 21 21 THR HA H 21 3.650 4.063 -0.413 1
1 184 . 6 1 1 A 21 21 THR CA C 21 66.297 66.770 -0.473 1
1 185 . 6 1 1 A 21 21 THR CB C 21 68.329 68.626 -0.297 1
1 187 . 6 1 1 A 22 22 THR H H 22 8.509 8.465 0.044 1
1 188 . 6 1 1 A 22 22 THR HA H 22 3.605 3.766 -0.161 1
1 193 . 6 1 1 A 22 22 THR CA C 22 66.625 67.012 -0.387 1
1 194 . 6 1 1 A 22 22 THR CB C 22 67.818 68.369 -0.551 1
1 196 . 6 1 1 A 23 23 CYS H H 23 8.357 8.419 -0.062 1
1 197 . 6 1 1 A 23 23 CYS HA H 23 4.332 4.328 0.004 1
1 200 . 6 1 1 A 23 23 CYS CA C 23 57.046 58.702 -1.656 1
1 201 . 6 1 1 A 23 23 CYS CB C 23 40.331 41.846 -1.515 1
1 202 . 6 1 1 A 24 24 THR H H 24 7.178 7.249 -0.071 1
1 203 . 6 1 1 A 24 24 THR HA H 24 4.437 4.556 -0.119 1
1 208 . 6 1 1 A 24 24 THR CA C 24 60.381 61.264 -0.883 1
1 209 . 6 1 1 A 24 24 THR CB C 24 70.672 69.738 0.934 1
1 211 . 6 1 1 A 25 25 THR H H 25 7.220 7.012 0.208 1
1 212 . 6 1 1 A 25 25 THR HA H 25 5.154 5.126 0.028 1
1 217 . 6 1 1 A 25 25 THR CA C 25 59.059 58.685 0.374 1
1 218 . 6 1 1 A 25 25 THR CB C 25 69.107 70.570 -1.463 1
1 220 . 6 1 1 A 26 26 PRO HA H 26 4.549 4.719 -0.170 1
1 227 . 6 1 1 A 26 26 PRO CA C 26 64.733 63.279 1.454 1
1 228 . 6 1 1 A 26 26 PRO CB C 26 32.055 31.935 0.120 1
1 231 . 6 1 1 A 27 27 GLY H H 27 9.118 8.008 1.110 1
1 232 . 6 1 1 A 27 27 GLY HA2 H 27 4.555 4.209 0.346 1
1 233 . 6 1 1 A 27 27 GLY HA3 H 27 3.937 4.214 -0.277 1
1 234 . 6 1 1 A 27 27 GLY CA C 27 43.918 45.456 -1.538 1
1 235 . 6 1 1 A 28 28 GLN H H 28 8.971 8.812 0.159 1
1 236 . 6 1 1 A 28 28 GLN HA H 28 4.167 4.217 -0.050 1
1 243 . 6 1 1 A 28 28 GLN CA C 28 58.650 57.671 0.979 1
1 244 . 6 1 1 A 28 28 GLN CB C 28 28.853 28.244 0.609 1
1 246 . 6 1 1 A 29 29 THR H H 29 8.533 7.685 0.848 1
1 247 . 6 1 1 A 29 29 THR HA H 29 4.499 4.659 -0.160 1
1 252 . 6 1 1 A 29 29 THR CA C 29 59.513 59.885 -0.372 1
1 253 . 6 1 1 A 29 29 THR CB C 29 68.879 69.339 -0.460 1
1 255 . 6 1 1 A 30 30 CYS H H 30 7.040 8.743 -1.703 1
1 256 . 6 1 1 A 30 30 CYS HA H 30 3.823 4.659 -0.836 1
1 259 . 6 1 1 A 30 30 CYS CA C 30 59.787 58.987 0.800 1
1 260 . 6 1 1 A 30 30 CYS CB C 30 41.483 28.210 13.273 1
1 261 . 6 1 1 A 31 31 TYR H H 31 9.732 8.435 1.297 1
1 262 . 6 1 1 A 31 31 TYR HA H 31 3.780 3.966 -0.186 1
1 269 . 6 1 1 A 31 31 TYR CA C 31 64.210 61.913 2.297 1
1 270 . 6 1 1 A 31 31 TYR CB C 31 39.118 38.528 0.590 1
1 273 . 6 1 1 A 32 32 THR H H 32 9.792 7.909 1.883 1
1 274 . 6 1 1 A 32 32 THR HA H 32 4.050 3.760 0.290 1
1 279 . 6 1 1 A 32 32 THR CA C 32 66.055 65.913 0.142 1
1 280 . 6 1 1 A 32 32 THR CB C 32 68.541 67.905 0.636 1
1 282 . 6 1 1 A 33 33 CYS H H 33 8.845 8.589 0.256 1
1 283 . 6 1 1 A 33 33 CYS HA H 33 4.948 4.062 0.886 1
1 286 . 6 1 1 A 33 33 CYS CB C 33 37.503 41.627 -4.124 1
1 287 . 6 1 1 A 34 34 CYS H H 34 8.129 8.022 0.107 1
1 288 . 6 1 1 A 34 34 CYS HA H 34 4.718 4.000 0.718 1
1 291 . 6 1 1 A 34 34 CYS CB C 34 33.988 41.242 -7.254 1
1 292 . 6 1 1 A 35 35 SER H H 35 7.542 7.553 -0.011 1
1 293 . 6 1 1 A 35 35 SER HA H 35 4.404 4.161 0.243 1
1 296 . 6 1 1 A 35 35 SER CA C 35 59.877 61.298 -1.421 1
1 297 . 6 1 1 A 35 35 SER CB C 35 63.139 62.690 0.449 1
1 298 . 6 1 1 A 36 36 SER H H 36 7.129 7.874 -0.745 1
1 299 . 6 1 1 A 36 36 SER HA H 36 4.692 4.314 0.378 1
1 302 . 6 1 1 A 36 36 SER CB C 36 62.611 62.431 0.180 1
1 303 . 6 1 1 A 37 37 CYS H H 37 7.752 7.802 -0.050 1
1 304 . 6 1 1 A 37 37 CYS HA H 37 4.464 4.788 -0.324 1
1 307 . 6 1 1 A 37 37 CYS CA C 37 59.010 56.901 2.109 1
1 308 . 6 1 1 A 37 37 CYS CB C 37 48.093 45.070 3.023 1
1 309 . 6 1 1 A 38 38 PHE H H 38 7.013 8.099 -1.086 1
1 310 . 6 1 1 A 38 38 PHE HA H 38 5.633 5.343 0.290 1
1 317 . 6 1 1 A 38 38 PHE CA C 38 55.379 56.993 -1.614 1
1 318 . 6 1 1 A 38 38 PHE CB C 38 42.836 43.480 -0.644 1
1 322 . 6 1 1 A 39 39 ASP H H 39 8.871 8.976 -0.105 1
1 323 . 6 1 1 A 39 39 ASP HA H 39 4.392 4.738 -0.346 1
1 326 . 6 1 1 A 39 39 ASP CA C 39 52.467 54.401 -1.934 1
1 327 . 6 1 1 A 39 39 ASP CB C 39 39.511 42.022 -2.511 1
1 328 . 6 1 1 A 40 40 VAL H H 40 8.003 8.551 -0.548 1
1 329 . 6 1 1 A 40 40 VAL HA H 40 3.985 3.672 0.313 1
1 337 . 6 1 1 A 40 40 VAL CA C 40 65.558 65.565 -0.007 1
1 338 . 6 1 1 A 40 40 VAL CB C 40 29.014 31.809 -2.795 1
1 341 . 6 1 1 A 41 41 VAL H H 41 7.493 8.138 -0.645 1
1 342 . 6 1 1 A 41 41 VAL HA H 41 3.528 3.419 0.109 1
1 350 . 6 1 1 A 41 41 VAL CA C 41 65.014 65.864 -0.850 1
1 351 . 6 1 1 A 41 41 VAL CB C 41 31.518 31.105 0.413 1
1 354 . 6 1 1 A 42 42 GLY H H 42 8.730 8.046 0.684 1
1 355 . 6 1 1 A 42 42 GLY HA2 H 42 2.573 3.481 -0.908 1
1 356 . 6 1 1 A 42 42 GLY HA3 H 42 3.224 4.284 -1.060 1
1 357 . 6 1 1 A 42 42 GLY CA C 42 47.496 46.832 0.664 1
1 358 . 6 1 1 A 43 43 GLU H H 43 10.197 8.865 1.332 1
1 359 . 6 1 1 A 43 43 GLU HA H 43 3.776 4.086 -0.310 1
1 364 . 6 1 1 A 43 43 GLU CA C 43 58.892 59.431 -0.539 1
1 365 . 6 1 1 A 43 43 GLU CB C 43 29.300 29.231 0.069 1
1 367 . 6 1 1 A 44 44 GLN H H 44 6.648 8.014 -1.366 1
1 368 . 6 1 1 A 44 44 GLN HA H 44 4.028 3.998 0.030 1
1 375 . 6 1 1 A 44 44 GLN CA C 44 57.875 58.786 -0.911 1
1 376 . 6 1 1 A 44 44 GLN CB C 44 27.790 28.541 -0.751 1
1 378 . 6 1 1 A 45 45 ALA H H 45 7.131 7.359 -0.228 1
1 379 . 6 1 1 A 45 45 ALA HA H 45 4.076 4.038 0.038 1
1 383 . 6 1 1 A 45 45 ALA CA C 45 54.601 54.672 -0.071 1
1 384 . 6 1 1 A 45 45 ALA CB C 45 17.623 17.978 -0.355 1
1 385 . 6 1 1 A 46 46 CYS H H 46 8.934 7.785 1.149 1
1 386 . 6 1 1 A 46 46 CYS HA H 46 3.116 3.534 -0.418 1
1 389 . 6 1 1 A 46 46 CYS CA C 46 58.321 58.474 -0.153 1
1 390 . 6 1 1 A 47 47 GLN H H 47 8.360 8.246 0.114 1
1 391 . 6 1 1 A 47 47 GLN HA H 47 3.352 3.843 -0.491 1
1 398 . 6 1 1 A 47 47 GLN CA C 47 58.364 59.334 -0.970 1
1 399 . 6 1 1 A 47 47 GLN CB C 47 26.924 28.158 -1.234 1
1 401 . 6 1 1 A 48 48 MET H H 48 8.112 8.220 -0.108 1
1 402 . 6 1 1 A 48 48 MET HA H 48 4.379 4.298 0.081 1
1 407 . 6 1 1 A 48 48 MET CA C 48 57.081 56.922 0.159 1
1 408 . 6 1 1 A 48 48 MET CB C 48 31.934 31.608 0.326 1
1 410 . 6 1 1 A 49 49 SER H H 49 7.672 8.363 -0.691 1
1 411 . 6 1 1 A 49 49 SER HA H 49 4.536 4.696 -0.160 1
1 414 . 6 1 1 A 49 49 SER CA C 49 59.206 58.093 1.113 1
1 415 . 6 1 1 A 49 49 SER CB C 49 63.792 64.786 -0.994 1
1 416 . 6 1 1 A 50 50 ALA H H 50 7.602 7.215 0.387 1
1 417 . 6 1 1 A 50 50 ALA HA H 50 4.187 4.372 -0.185 1
1 421 . 6 1 1 A 50 50 ALA CA C 50 52.637 51.120 1.517 1
1 422 . 6 1 1 A 50 50 ALA CB C 50 17.896 19.621 -1.725 1
1 423 . 6 1 1 A 51 51 GLN H H 51 8.004 8.631 -0.627 1
1 424 . 6 1 1 A 51 51 GLN HA H 51 4.584 4.835 -0.251 1
1 431 . 6 1 1 A 51 51 GLN CA C 51 54.256 54.545 -0.289 1
1 432 . 6 1 1 A 51 51 GLN CB C 51 28.525 29.551 -1.026 1
1 8 . 7 1 1 A 2 2 PRO HA H 2 3.996 4.572 -0.576 1
1 15 . 7 1 1 A 2 2 PRO CA C 2 66.442 64.479 1.963 1
1 16 . 7 1 1 A 2 2 PRO CB C 2 30.824 31.581 -0.757 1
1 19 . 7 1 1 A 3 3 GLU H H 3 8.359 8.341 0.018 1
1 20 . 7 1 1 A 3 3 GLU HA H 3 4.085 4.019 0.066 1
1 25 . 7 1 1 A 3 3 GLU CA C 3 58.481 59.205 -0.724 1
1 26 . 7 1 1 A 3 3 GLU CB C 3 28.167 28.800 -0.633 1
1 28 . 7 1 1 A 4 4 ASP H H 4 7.555 7.611 -0.056 1
1 29 . 7 1 1 A 4 4 ASP HA H 4 4.379 4.338 0.041 1
1 32 . 7 1 1 A 4 4 ASP CA C 4 55.752 56.589 -0.837 1
1 33 . 7 1 1 A 4 4 ASP CB C 4 40.237 40.349 -0.112 1
1 34 . 7 1 1 A 5 5 TRP H H 5 7.357 7.377 -0.020 1
1 35 . 7 1 1 A 5 5 TRP HA H 5 5.331 4.873 0.458 1
1 44 . 7 1 1 A 5 5 TRP CA C 5 54.949 57.564 -2.615 1
1 45 . 7 1 1 A 5 5 TRP CB C 5 31.983 29.628 2.355 1
1 51 . 7 1 1 A 6 6 PHE H H 6 7.664 7.888 -0.224 1
1 52 . 7 1 1 A 6 6 PHE HA H 6 5.144 4.192 0.952 1
1 60 . 7 1 1 A 6 6 PHE CB C 6 39.765 39.028 0.737 1
1 64 . 7 1 1 A 7 7 THR H H 7 8.099 7.649 0.450 1
1 65 . 7 1 1 A 7 7 THR HA H 7 4.628 4.790 -0.162 1
1 70 . 7 1 1 A 7 7 THR CA C 7 53.988 58.775 -4.787 1
1 71 . 7 1 1 A 7 7 THR CB C 7 69.001 69.367 -0.366 1
1 73 . 7 1 1 A 8 8 PRO HA H 8 3.311 4.002 -0.691 1
1 80 . 7 1 1 A 8 8 PRO CA C 8 63.015 64.272 -1.257 1
1 81 . 7 1 1 A 8 8 PRO CB C 8 31.169 31.647 -0.478 1
1 84 . 7 1 1 A 9 9 ASP H H 9 8.798 8.461 0.337 1
1 85 . 7 1 1 A 9 9 ASP HA H 9 4.249 4.406 -0.157 1
1 88 . 7 1 1 A 9 9 ASP CA C 9 56.899 55.841 1.058 1
1 89 . 7 1 1 A 9 9 ASP CB C 9 39.412 40.215 -0.803 1
1 90 . 7 1 1 A 10 10 THR H H 10 6.936 7.505 -0.569 1
1 91 . 7 1 1 A 10 10 THR HA H 10 4.405 4.264 0.141 1
1 96 . 7 1 1 A 10 10 THR CA C 10 59.512 62.361 -2.849 1
1 97 . 7 1 1 A 10 10 THR CB C 10 68.463 69.685 -1.222 1
1 99 . 7 1 1 A 11 11 CYS H H 11 7.158 7.491 -0.333 1
1 100 . 7 1 1 A 11 11 CYS HA H 11 4.563 4.708 -0.145 1
1 103 . 7 1 1 A 11 11 CYS CB C 11 40.355 45.003 -4.648 1
1 104 . 7 1 1 A 12 12 ALA H H 12 8.807 8.186 0.621 1
1 105 . 7 1 1 A 12 12 ALA HA H 12 3.909 4.585 -0.676 1
1 109 . 7 1 1 A 12 12 ALA CA C 12 52.884 51.184 1.700 1
1 110 . 7 1 1 A 12 12 ALA CB C 12 17.564 19.782 -2.218 1
1 111 . 7 1 1 A 13 13 TYR H H 13 7.510 7.701 -0.191 1
1 112 . 7 1 1 A 13 13 TYR HA H 13 4.841 5.047 -0.206 1
1 119 . 7 1 1 A 13 13 TYR CB C 13 38.900 39.935 -1.035 1
1 122 . 7 1 1 A 14 14 GLY H H 14 9.002 8.884 0.118 1
1 123 . 7 1 1 A 14 14 GLY HA2 H 14 4.144 3.945 0.199 1
1 124 . 7 1 1 A 14 14 GLY HA3 H 14 3.971 4.048 -0.077 1
1 125 . 7 1 1 A 14 14 GLY CA C 14 46.044 45.930 0.114 1
1 126 . 7 1 1 A 15 15 ASP H H 15 7.322 7.748 -0.426 1
1 127 . 7 1 1 A 15 15 ASP HA H 15 4.789 4.906 -0.117 1
1 130 . 7 1 1 A 15 15 ASP CB C 15 43.563 44.006 -0.443 1
1 131 . 7 1 1 A 16 16 SER H H 16 8.796 8.558 0.238 1
1 132 . 7 1 1 A 16 16 SER HA H 16 3.006 4.059 -1.053 1
1 135 . 7 1 1 A 16 16 SER CA C 16 61.150 61.319 -0.169 1
1 136 . 7 1 1 A 16 16 SER CB C 16 61.849 62.786 -0.937 1
1 137 . 7 1 1 A 17 17 ASN H H 17 8.281 7.927 0.354 1
1 138 . 7 1 1 A 17 17 ASN HA H 17 4.679 4.734 -0.055 1
1 143 . 7 1 1 A 17 17 ASN CA C 17 56.624 56.558 0.066 1
1 144 . 7 1 1 A 17 17 ASN CB C 17 38.066 38.245 -0.179 1
1 145 . 7 1 1 A 18 18 THR H H 18 9.130 8.031 1.099 1
1 146 . 7 1 1 A 18 18 THR HA H 18 3.888 3.951 -0.063 1
1 151 . 7 1 1 A 18 18 THR CA C 18 65.897 66.463 -0.566 1
1 152 . 7 1 1 A 18 18 THR CB C 18 67.277 68.609 -1.332 1
1 154 . 7 1 1 A 19 19 ALA H H 19 8.516 8.787 -0.271 1
1 155 . 7 1 1 A 19 19 ALA HA H 19 4.049 4.172 -0.123 1
1 159 . 7 1 1 A 19 19 ALA CA C 19 55.280 55.427 -0.147 1
1 160 . 7 1 1 A 19 19 ALA CB C 19 19.411 19.143 0.268 1
1 161 . 7 1 1 A 20 20 TRP H H 20 9.036 8.793 0.243 1
1 162 . 7 1 1 A 20 20 TRP HA H 20 4.110 4.316 -0.206 1
1 171 . 7 1 1 A 20 20 TRP CA C 20 61.191 61.654 -0.463 1
1 172 . 7 1 1 A 20 20 TRP CB C 20 28.615 29.744 -1.129 1
1 178 . 7 1 1 A 21 21 THR H H 21 8.630 8.653 -0.023 1
1 179 . 7 1 1 A 21 21 THR HA H 21 3.650 4.083 -0.433 1
1 184 . 7 1 1 A 21 21 THR CA C 21 66.297 66.538 -0.241 1
1 185 . 7 1 1 A 21 21 THR CB C 21 68.329 68.458 -0.129 1
1 187 . 7 1 1 A 22 22 THR H H 22 8.509 7.956 0.553 1
1 188 . 7 1 1 A 22 22 THR HA H 22 3.605 3.720 -0.115 1
1 193 . 7 1 1 A 22 22 THR CA C 22 66.625 66.640 -0.015 1
1 194 . 7 1 1 A 22 22 THR CB C 22 67.818 67.919 -0.101 1
1 196 . 7 1 1 A 23 23 CYS H H 23 8.357 8.458 -0.101 1
1 197 . 7 1 1 A 23 23 CYS HA H 23 4.332 4.628 -0.296 1
1 200 . 7 1 1 A 23 23 CYS CA C 23 57.046 58.775 -1.729 1
1 201 . 7 1 1 A 23 23 CYS CB C 23 40.331 42.008 -1.677 1
1 202 . 7 1 1 A 24 24 THR H H 24 7.178 7.255 -0.077 1
1 203 . 7 1 1 A 24 24 THR HA H 24 4.437 4.633 -0.196 1
1 208 . 7 1 1 A 24 24 THR CA C 24 60.381 60.700 -0.319 1
1 209 . 7 1 1 A 24 24 THR CB C 24 70.672 68.910 1.762 1
1 211 . 7 1 1 A 25 25 THR H H 25 7.220 7.214 0.006 1
1 212 . 7 1 1 A 25 25 THR HA H 25 5.154 5.182 -0.028 1
1 217 . 7 1 1 A 25 25 THR CA C 25 59.059 58.617 0.442 1
1 218 . 7 1 1 A 25 25 THR CB C 25 69.107 70.556 -1.449 1
1 220 . 7 1 1 A 26 26 PRO HA H 26 4.549 4.670 -0.121 1
1 227 . 7 1 1 A 26 26 PRO CA C 26 64.733 62.795 1.938 1
1 228 . 7 1 1 A 26 26 PRO CB C 26 32.055 31.728 0.327 1
1 231 . 7 1 1 A 27 27 GLY H H 27 9.118 7.947 1.171 1
1 232 . 7 1 1 A 27 27 GLY HA2 H 27 4.555 4.269 0.286 1
1 233 . 7 1 1 A 27 27 GLY HA3 H 27 3.937 4.270 -0.333 1
1 234 . 7 1 1 A 27 27 GLY CA C 27 43.918 45.247 -1.329 1
1 235 . 7 1 1 A 28 28 GLN H H 28 8.971 8.865 0.106 1
1 236 . 7 1 1 A 28 28 GLN HA H 28 4.167 4.167 0.000 1
1 243 . 7 1 1 A 28 28 GLN CA C 28 58.650 57.868 0.782 1
1 244 . 7 1 1 A 28 28 GLN CB C 28 28.853 28.180 0.673 1
1 246 . 7 1 1 A 29 29 THR H H 29 8.533 7.660 0.873 1
1 247 . 7 1 1 A 29 29 THR HA H 29 4.499 4.686 -0.187 1
1 252 . 7 1 1 A 29 29 THR CA C 29 59.513 59.894 -0.381 1
1 253 . 7 1 1 A 29 29 THR CB C 29 68.879 69.141 -0.262 1
1 255 . 7 1 1 A 30 30 CYS H H 30 7.040 8.654 -1.614 1
1 256 . 7 1 1 A 30 30 CYS HA H 30 3.823 4.674 -0.851 1
1 259 . 7 1 1 A 30 30 CYS CA C 30 59.787 59.608 0.179 1
1 260 . 7 1 1 A 30 30 CYS CB C 30 41.483 28.050 13.433 1
1 261 . 7 1 1 A 31 31 TYR H H 31 9.732 8.365 1.367 1
1 262 . 7 1 1 A 31 31 TYR HA H 31 3.780 3.989 -0.209 1
1 269 . 7 1 1 A 31 31 TYR CA C 31 64.210 61.736 2.474 1
1 270 . 7 1 1 A 31 31 TYR CB C 31 39.118 38.661 0.457 1
1 273 . 7 1 1 A 32 32 THR H H 32 9.792 7.951 1.841 1
1 274 . 7 1 1 A 32 32 THR HA H 32 4.050 3.830 0.220 1
1 279 . 7 1 1 A 32 32 THR CA C 32 66.055 65.971 0.084 1
1 280 . 7 1 1 A 32 32 THR CB C 32 68.541 67.991 0.550 1
1 282 . 7 1 1 A 33 33 CYS H H 33 8.845 8.590 0.255 1
1 283 . 7 1 1 A 33 33 CYS HA H 33 4.948 4.156 0.792 1
1 286 . 7 1 1 A 33 33 CYS CB C 33 37.503 41.732 -4.229 1
1 287 . 7 1 1 A 34 34 CYS H H 34 8.129 7.962 0.167 1
1 288 . 7 1 1 A 34 34 CYS HA H 34 4.718 4.166 0.552 1
1 291 . 7 1 1 A 34 34 CYS CB C 34 33.988 41.250 -7.262 1
1 292 . 7 1 1 A 35 35 SER H H 35 7.542 7.790 -0.248 1
1 293 . 7 1 1 A 35 35 SER HA H 35 4.404 4.197 0.207 1
1 296 . 7 1 1 A 35 35 SER CA C 35 59.877 61.380 -1.503 1
1 297 . 7 1 1 A 35 35 SER CB C 35 63.139 62.651 0.488 1
1 298 . 7 1 1 A 36 36 SER H H 36 7.129 8.116 -0.987 1
1 299 . 7 1 1 A 36 36 SER HA H 36 4.692 4.261 0.431 1
1 302 . 7 1 1 A 36 36 SER CB C 36 62.611 62.885 -0.274 1
1 303 . 7 1 1 A 37 37 CYS H H 37 7.752 8.184 -0.432 1
1 304 . 7 1 1 A 37 37 CYS HA H 37 4.464 4.645 -0.181 1
1 307 . 7 1 1 A 37 37 CYS CA C 37 59.010 56.038 2.972 1
1 308 . 7 1 1 A 37 37 CYS CB C 37 48.093 44.123 3.970 1
1 309 . 7 1 1 A 38 38 PHE H H 38 7.013 7.830 -0.817 1
1 310 . 7 1 1 A 38 38 PHE HA H 38 5.633 5.371 0.262 1
1 317 . 7 1 1 A 38 38 PHE CA C 38 55.379 56.533 -1.154 1
1 318 . 7 1 1 A 38 38 PHE CB C 38 42.836 43.403 -0.567 1
1 322 . 7 1 1 A 39 39 ASP H H 39 8.871 8.622 0.249 1
1 323 . 7 1 1 A 39 39 ASP HA H 39 4.392 4.714 -0.322 1
1 326 . 7 1 1 A 39 39 ASP CA C 39 52.467 54.451 -1.984 1
1 327 . 7 1 1 A 39 39 ASP CB C 39 39.511 42.080 -2.569 1
1 328 . 7 1 1 A 40 40 VAL H H 40 8.003 8.528 -0.525 1
1 329 . 7 1 1 A 40 40 VAL HA H 40 3.985 3.767 0.218 1
1 337 . 7 1 1 A 40 40 VAL CA C 40 65.558 65.306 0.252 1
1 338 . 7 1 1 A 40 40 VAL CB C 40 29.014 31.571 -2.557 1
1 341 . 7 1 1 A 41 41 VAL H H 41 7.493 7.909 -0.416 1
1 342 . 7 1 1 A 41 41 VAL HA H 41 3.528 3.434 0.094 1
1 350 . 7 1 1 A 41 41 VAL CA C 41 65.014 65.905 -0.891 1
1 351 . 7 1 1 A 41 41 VAL CB C 41 31.518 31.174 0.344 1
1 354 . 7 1 1 A 42 42 GLY H H 42 8.730 8.167 0.563 1
1 355 . 7 1 1 A 42 42 GLY HA2 H 42 2.573 3.484 -0.911 1
1 356 . 7 1 1 A 42 42 GLY HA3 H 42 3.224 3.915 -0.691 1
1 357 . 7 1 1 A 42 42 GLY CA C 42 47.496 46.948 0.548 1
1 358 . 7 1 1 A 43 43 GLU H H 43 10.197 8.696 1.501 1
1 359 . 7 1 1 A 43 43 GLU HA H 43 3.776 3.889 -0.113 1
1 364 . 7 1 1 A 43 43 GLU CA C 43 58.892 59.898 -1.006 1
1 365 . 7 1 1 A 43 43 GLU CB C 43 29.300 29.666 -0.366 1
1 367 . 7 1 1 A 44 44 GLN H H 44 6.648 7.827 -1.179 1
1 368 . 7 1 1 A 44 44 GLN HA H 44 4.028 3.993 0.035 1
1 375 . 7 1 1 A 44 44 GLN CA C 44 57.875 58.349 -0.474 1
1 376 . 7 1 1 A 44 44 GLN CB C 44 27.790 28.238 -0.448 1
1 378 . 7 1 1 A 45 45 ALA H H 45 7.131 7.492 -0.361 1
1 379 . 7 1 1 A 45 45 ALA HA H 45 4.076 4.013 0.063 1
1 383 . 7 1 1 A 45 45 ALA CA C 45 54.601 54.252 0.349 1
1 384 . 7 1 1 A 45 45 ALA CB C 45 17.623 17.946 -0.323 1
1 385 . 7 1 1 A 46 46 CYS H H 46 8.934 7.757 1.177 1
1 386 . 7 1 1 A 46 46 CYS HA H 46 3.116 3.750 -0.634 1
1 389 . 7 1 1 A 46 46 CYS CA C 46 58.321 58.555 -0.234 1
1 390 . 7 1 1 A 47 47 GLN H H 47 8.360 8.172 0.188 1
1 391 . 7 1 1 A 47 47 GLN HA H 47 3.352 3.876 -0.524 1
1 398 . 7 1 1 A 47 47 GLN CA C 47 58.364 59.212 -0.848 1
1 399 . 7 1 1 A 47 47 GLN CB C 47 26.924 27.961 -1.037 1
1 401 . 7 1 1 A 48 48 MET H H 48 8.112 8.198 -0.086 1
1 402 . 7 1 1 A 48 48 MET HA H 48 4.379 4.236 0.143 1
1 407 . 7 1 1 A 48 48 MET CA C 48 57.081 58.063 -0.982 1
1 408 . 7 1 1 A 48 48 MET CB C 48 31.934 32.521 -0.587 1
1 410 . 7 1 1 A 49 49 SER H H 49 7.672 7.602 0.070 1
1 411 . 7 1 1 A 49 49 SER HA H 49 4.536 4.548 -0.012 1
1 414 . 7 1 1 A 49 49 SER CA C 49 59.206 58.467 0.739 1
1 415 . 7 1 1 A 49 49 SER CB C 49 63.792 64.206 -0.414 1
1 416 . 7 1 1 A 50 50 ALA H H 50 7.602 7.198 0.404 1
1 417 . 7 1 1 A 50 50 ALA HA H 50 4.187 4.144 0.043 1
1 421 . 7 1 1 A 50 50 ALA CA C 50 52.637 52.762 -0.125 1
1 422 . 7 1 1 A 50 50 ALA CB C 50 17.896 19.766 -1.870 1
1 423 . 7 1 1 A 51 51 GLN H H 51 8.004 8.825 -0.821 1
1 424 . 7 1 1 A 51 51 GLN HA H 51 4.584 4.899 -0.315 1
1 431 . 7 1 1 A 51 51 GLN CA C 51 54.256 54.652 -0.396 1
1 432 . 7 1 1 A 51 51 GLN CB C 51 28.525 30.245 -1.720 1
1 8 . 8 1 1 A 2 2 PRO HA H 2 3.996 4.564 -0.568 1
1 15 . 8 1 1 A 2 2 PRO CA C 2 66.442 64.398 2.044 1
1 16 . 8 1 1 A 2 2 PRO CB C 2 30.824 31.766 -0.942 1
1 19 . 8 1 1 A 3 3 GLU H H 3 8.359 8.287 0.072 1
1 20 . 8 1 1 A 3 3 GLU HA H 3 4.085 4.020 0.065 1
1 25 . 8 1 1 A 3 3 GLU CA C 3 58.481 59.111 -0.630 1
1 26 . 8 1 1 A 3 3 GLU CB C 3 28.167 28.825 -0.658 1
1 28 . 8 1 1 A 4 4 ASP H H 4 7.555 7.633 -0.078 1
1 29 . 8 1 1 A 4 4 ASP HA H 4 4.379 4.257 0.122 1
1 32 . 8 1 1 A 4 4 ASP CA C 4 55.752 55.976 -0.224 1
1 33 . 8 1 1 A 4 4 ASP CB C 4 40.237 40.234 0.003 1
1 34 . 8 1 1 A 5 5 TRP H H 5 7.357 7.608 -0.251 1
1 35 . 8 1 1 A 5 5 TRP HA H 5 5.331 4.701 0.630 1
1 44 . 8 1 1 A 5 5 TRP CA C 5 54.949 56.545 -1.596 1
1 45 . 8 1 1 A 5 5 TRP CB C 5 31.983 29.667 2.316 1
1 51 . 8 1 1 A 6 6 PHE H H 6 7.664 7.482 0.182 1
1 52 . 8 1 1 A 6 6 PHE HA H 6 5.144 4.252 0.892 1
1 60 . 8 1 1 A 6 6 PHE CB C 6 39.765 38.868 0.897 1
1 64 . 8 1 1 A 7 7 THR H H 7 8.099 8.108 -0.009 1
1 65 . 8 1 1 A 7 7 THR HA H 7 4.628 4.936 -0.308 1
1 70 . 8 1 1 A 7 7 THR CA C 7 53.988 58.896 -4.908 1
1 71 . 8 1 1 A 7 7 THR CB C 7 69.001 69.646 -0.645 1
1 73 . 8 1 1 A 8 8 PRO HA H 8 3.311 4.154 -0.843 1
1 80 . 8 1 1 A 8 8 PRO CA C 8 63.015 64.133 -1.118 1
1 81 . 8 1 1 A 8 8 PRO CB C 8 31.169 31.652 -0.483 1
1 84 . 8 1 1 A 9 9 ASP H H 9 8.798 8.453 0.345 1
1 85 . 8 1 1 A 9 9 ASP HA H 9 4.249 4.371 -0.122 1
1 88 . 8 1 1 A 9 9 ASP CA C 9 56.899 56.764 0.135 1
1 89 . 8 1 1 A 9 9 ASP CB C 9 39.412 40.694 -1.282 1
1 90 . 8 1 1 A 10 10 THR H H 10 6.936 7.608 -0.672 1
1 91 . 8 1 1 A 10 10 THR HA H 10 4.405 4.295 0.110 1
1 96 . 8 1 1 A 10 10 THR CA C 10 59.512 62.957 -3.445 1
1 97 . 8 1 1 A 10 10 THR CB C 10 68.463 69.434 -0.971 1
1 99 . 8 1 1 A 11 11 CYS H H 11 7.158 7.828 -0.670 1
1 100 . 8 1 1 A 11 11 CYS HA H 11 4.563 4.852 -0.289 1
1 103 . 8 1 1 A 11 11 CYS CB C 11 40.355 44.879 -4.524 1
1 104 . 8 1 1 A 12 12 ALA H H 12 8.807 8.568 0.239 1
1 105 . 8 1 1 A 12 12 ALA HA H 12 3.909 4.313 -0.404 1
1 109 . 8 1 1 A 12 12 ALA CA C 12 52.884 52.297 0.587 1
1 110 . 8 1 1 A 12 12 ALA CB C 12 17.564 18.392 -0.828 1
1 111 . 8 1 1 A 13 13 TYR H H 13 7.510 7.716 -0.206 1
1 112 . 8 1 1 A 13 13 TYR HA H 13 4.841 5.143 -0.302 1
1 119 . 8 1 1 A 13 13 TYR CB C 13 38.900 42.436 -3.536 1
1 122 . 8 1 1 A 14 14 GLY H H 14 9.002 8.983 0.019 1
1 123 . 8 1 1 A 14 14 GLY HA2 H 14 4.144 4.094 0.050 1
1 124 . 8 1 1 A 14 14 GLY HA3 H 14 3.971 4.270 -0.299 1
1 125 . 8 1 1 A 14 14 GLY CA C 14 46.044 45.648 0.396 1
1 126 . 8 1 1 A 15 15 ASP H H 15 7.322 7.761 -0.439 1
1 127 . 8 1 1 A 15 15 ASP HA H 15 4.789 4.782 0.007 1
1 130 . 8 1 1 A 15 15 ASP CB C 15 43.563 44.010 -0.447 1
1 131 . 8 1 1 A 16 16 SER H H 16 8.796 8.743 0.053 1
1 132 . 8 1 1 A 16 16 SER HA H 16 3.006 4.537 -1.531 1
1 135 . 8 1 1 A 16 16 SER CA C 16 61.150 61.738 -0.588 1
1 136 . 8 1 1 A 16 16 SER CB C 16 61.849 62.572 -0.723 1
1 137 . 8 1 1 A 17 17 ASN H H 17 8.281 8.423 -0.142 1
1 138 . 8 1 1 A 17 17 ASN HA H 17 4.679 4.572 0.107 1
1 143 . 8 1 1 A 17 17 ASN CA C 17 56.624 55.957 0.667 1
1 144 . 8 1 1 A 17 17 ASN CB C 17 38.066 38.052 0.014 1
1 145 . 8 1 1 A 18 18 THR H H 18 9.130 8.116 1.014 1
1 146 . 8 1 1 A 18 18 THR HA H 18 3.888 3.874 0.014 1
1 151 . 8 1 1 A 18 18 THR CA C 18 65.897 66.031 -0.134 1
1 152 . 8 1 1 A 18 18 THR CB C 18 67.277 68.240 -0.963 1
1 154 . 8 1 1 A 19 19 ALA H H 19 8.516 8.331 0.185 1
1 155 . 8 1 1 A 19 19 ALA HA H 19 4.049 3.811 0.238 1
1 159 . 8 1 1 A 19 19 ALA CA C 19 55.280 55.146 0.134 1
1 160 . 8 1 1 A 19 19 ALA CB C 19 19.411 19.134 0.277 1
1 161 . 8 1 1 A 20 20 TRP H H 20 9.036 8.486 0.550 1
1 162 . 8 1 1 A 20 20 TRP HA H 20 4.110 3.998 0.112 1
1 171 . 8 1 1 A 20 20 TRP CA C 20 61.191 61.535 -0.344 1
1 172 . 8 1 1 A 20 20 TRP CB C 20 28.615 29.517 -0.902 1
1 178 . 8 1 1 A 21 21 THR H H 21 8.630 8.576 0.054 1
1 179 . 8 1 1 A 21 21 THR HA H 21 3.650 3.965 -0.315 1
1 184 . 8 1 1 A 21 21 THR CA C 21 66.297 66.673 -0.376 1
1 185 . 8 1 1 A 21 21 THR CB C 21 68.329 68.837 -0.508 1
1 187 . 8 1 1 A 22 22 THR H H 22 8.509 8.133 0.376 1
1 188 . 8 1 1 A 22 22 THR HA H 22 3.605 3.663 -0.058 1
1 193 . 8 1 1 A 22 22 THR CA C 22 66.625 66.702 -0.077 1
1 194 . 8 1 1 A 22 22 THR CB C 22 67.818 67.934 -0.116 1
1 196 . 8 1 1 A 23 23 CYS H H 23 8.357 8.320 0.037 1
1 197 . 8 1 1 A 23 23 CYS HA H 23 4.332 4.393 -0.061 1
1 200 . 8 1 1 A 23 23 CYS CA C 23 57.046 58.598 -1.552 1
1 201 . 8 1 1 A 23 23 CYS CB C 23 40.331 41.730 -1.399 1
1 202 . 8 1 1 A 24 24 THR H H 24 7.178 7.314 -0.136 1
1 203 . 8 1 1 A 24 24 THR HA H 24 4.437 4.631 -0.194 1
1 208 . 8 1 1 A 24 24 THR CA C 24 60.381 60.703 -0.322 1
1 209 . 8 1 1 A 24 24 THR CB C 24 70.672 69.032 1.640 1
1 211 . 8 1 1 A 25 25 THR H H 25 7.220 7.187 0.033 1
1 212 . 8 1 1 A 25 25 THR HA H 25 5.154 5.120 0.034 1
1 217 . 8 1 1 A 25 25 THR CA C 25 59.059 58.727 0.332 1
1 218 . 8 1 1 A 25 25 THR CB C 25 69.107 70.779 -1.672 1
1 220 . 8 1 1 A 26 26 PRO HA H 26 4.549 4.653 -0.104 1
1 227 . 8 1 1 A 26 26 PRO CA C 26 64.733 62.807 1.926 1
1 228 . 8 1 1 A 26 26 PRO CB C 26 32.055 31.703 0.352 1
1 231 . 8 1 1 A 27 27 GLY H H 27 9.118 7.961 1.157 1
1 232 . 8 1 1 A 27 27 GLY HA2 H 27 4.555 4.255 0.300 1
1 233 . 8 1 1 A 27 27 GLY HA3 H 27 3.937 4.258 -0.321 1
1 234 . 8 1 1 A 27 27 GLY CA C 27 43.918 45.532 -1.614 1
1 235 . 8 1 1 A 28 28 GLN H H 28 8.971 8.912 0.059 1
1 236 . 8 1 1 A 28 28 GLN HA H 28 4.167 4.186 -0.019 1
1 243 . 8 1 1 A 28 28 GLN CA C 28 58.650 58.209 0.441 1
1 244 . 8 1 1 A 28 28 GLN CB C 28 28.853 28.298 0.555 1
1 246 . 8 1 1 A 29 29 THR H H 29 8.533 7.739 0.794 1
1 247 . 8 1 1 A 29 29 THR HA H 29 4.499 4.652 -0.153 1
1 252 . 8 1 1 A 29 29 THR CA C 29 59.513 59.820 -0.307 1
1 253 . 8 1 1 A 29 29 THR CB C 29 68.879 69.066 -0.187 1
1 255 . 8 1 1 A 30 30 CYS H H 30 7.040 8.735 -1.695 1
1 256 . 8 1 1 A 30 30 CYS HA H 30 3.823 4.673 -0.850 1
1 259 . 8 1 1 A 30 30 CYS CA C 30 59.787 58.949 0.838 1
1 260 . 8 1 1 A 30 30 CYS CB C 30 41.483 28.109 13.374 1
1 261 . 8 1 1 A 31 31 TYR H H 31 9.732 8.446 1.286 1
1 262 . 8 1 1 A 31 31 TYR HA H 31 3.780 3.965 -0.185 1
1 269 . 8 1 1 A 31 31 TYR CA C 31 64.210 61.901 2.309 1
1 270 . 8 1 1 A 31 31 TYR CB C 31 39.118 38.492 0.626 1
1 273 . 8 1 1 A 32 32 THR H H 32 9.792 7.879 1.913 1
1 274 . 8 1 1 A 32 32 THR HA H 32 4.050 3.833 0.217 1
1 279 . 8 1 1 A 32 32 THR CA C 32 66.055 66.084 -0.029 1
1 280 . 8 1 1 A 32 32 THR CB C 32 68.541 67.791 0.750 1
1 282 . 8 1 1 A 33 33 CYS H H 33 8.845 8.630 0.215 1
1 283 . 8 1 1 A 33 33 CYS HA H 33 4.948 4.025 0.923 1
1 286 . 8 1 1 A 33 33 CYS CB C 33 37.503 41.512 -4.009 1
1 287 . 8 1 1 A 34 34 CYS H H 34 8.129 7.876 0.253 1
1 288 . 8 1 1 A 34 34 CYS HA H 34 4.718 3.940 0.778 1
1 291 . 8 1 1 A 34 34 CYS CB C 34 33.988 41.310 -7.322 1
1 292 . 8 1 1 A 35 35 SER H H 35 7.542 7.695 -0.153 1
1 293 . 8 1 1 A 35 35 SER HA H 35 4.404 4.378 0.026 1
1 296 . 8 1 1 A 35 35 SER CA C 35 59.877 59.184 0.693 1
1 297 . 8 1 1 A 35 35 SER CB C 35 63.139 63.504 -0.365 1
1 298 . 8 1 1 A 36 36 SER H H 36 7.129 8.034 -0.905 1
1 299 . 8 1 1 A 36 36 SER HA H 36 4.692 4.689 0.003 1
1 302 . 8 1 1 A 36 36 SER CB C 36 62.611 63.579 -0.968 1
1 303 . 8 1 1 A 37 37 CYS H H 37 7.752 7.921 -0.169 1
1 304 . 8 1 1 A 37 37 CYS HA H 37 4.464 4.828 -0.364 1
1 307 . 8 1 1 A 37 37 CYS CA C 37 59.010 57.070 1.940 1
1 308 . 8 1 1 A 37 37 CYS CB C 37 48.093 45.321 2.772 1
1 309 . 8 1 1 A 38 38 PHE H H 38 7.013 8.116 -1.103 1
1 310 . 8 1 1 A 38 38 PHE HA H 38 5.633 5.344 0.289 1
1 317 . 8 1 1 A 38 38 PHE CA C 38 55.379 57.181 -1.802 1
1 318 . 8 1 1 A 38 38 PHE CB C 38 42.836 42.588 0.248 1
1 322 . 8 1 1 A 39 39 ASP H H 39 8.871 8.458 0.413 1
1 323 . 8 1 1 A 39 39 ASP HA H 39 4.392 4.702 -0.310 1
1 326 . 8 1 1 A 39 39 ASP CA C 39 52.467 54.373 -1.906 1
1 327 . 8 1 1 A 39 39 ASP CB C 39 39.511 42.077 -2.566 1
1 328 . 8 1 1 A 40 40 VAL H H 40 8.003 8.516 -0.513 1
1 329 . 8 1 1 A 40 40 VAL HA H 40 3.985 3.714 0.271 1
1 337 . 8 1 1 A 40 40 VAL CA C 40 65.558 65.395 0.163 1
1 338 . 8 1 1 A 40 40 VAL CB C 40 29.014 31.752 -2.738 1
1 341 . 8 1 1 A 41 41 VAL H H 41 7.493 8.041 -0.548 1
1 342 . 8 1 1 A 41 41 VAL HA H 41 3.528 3.455 0.073 1
1 350 . 8 1 1 A 41 41 VAL CA C 41 65.014 65.912 -0.898 1
1 351 . 8 1 1 A 41 41 VAL CB C 41 31.518 31.206 0.312 1
1 354 . 8 1 1 A 42 42 GLY H H 42 8.730 7.866 0.864 1
1 355 . 8 1 1 A 42 42 GLY HA2 H 42 2.573 3.201 -0.628 1
1 356 . 8 1 1 A 42 42 GLY HA3 H 42 3.224 4.100 -0.876 1
1 357 . 8 1 1 A 42 42 GLY CA C 42 47.496 46.211 1.285 1
1 358 . 8 1 1 A 43 43 GLU H H 43 10.197 8.713 1.484 1
1 359 . 8 1 1 A 43 43 GLU HA H 43 3.776 4.120 -0.344 1
1 364 . 8 1 1 A 43 43 GLU CA C 43 58.892 59.456 -0.564 1
1 365 . 8 1 1 A 43 43 GLU CB C 43 29.300 29.390 -0.090 1
1 367 . 8 1 1 A 44 44 GLN H H 44 6.648 8.370 -1.722 1
1 368 . 8 1 1 A 44 44 GLN HA H 44 4.028 3.990 0.038 1
1 375 . 8 1 1 A 44 44 GLN CA C 44 57.875 58.661 -0.786 1
1 376 . 8 1 1 A 44 44 GLN CB C 44 27.790 27.799 -0.009 1
1 378 . 8 1 1 A 45 45 ALA H H 45 7.131 7.916 -0.785 1
1 379 . 8 1 1 A 45 45 ALA HA H 45 4.076 4.054 0.022 1
1 383 . 8 1 1 A 45 45 ALA CA C 45 54.601 54.878 -0.277 1
1 384 . 8 1 1 A 45 45 ALA CB C 45 17.623 17.904 -0.281 1
1 385 . 8 1 1 A 46 46 CYS H H 46 8.934 7.902 1.032 1
1 386 . 8 1 1 A 46 46 CYS HA H 46 3.116 3.677 -0.561 1
1 389 . 8 1 1 A 46 46 CYS CA C 46 58.321 58.642 -0.321 1
1 390 . 8 1 1 A 47 47 GLN H H 47 8.360 8.287 0.073 1
1 391 . 8 1 1 A 47 47 GLN HA H 47 3.352 3.721 -0.369 1
1 398 . 8 1 1 A 47 47 GLN CA C 47 58.364 59.004 -0.640 1
1 399 . 8 1 1 A 47 47 GLN CB C 47 26.924 27.870 -0.946 1
1 401 . 8 1 1 A 48 48 MET H H 48 8.112 7.923 0.189 1
1 402 . 8 1 1 A 48 48 MET HA H 48 4.379 4.343 0.036 1
1 407 . 8 1 1 A 48 48 MET CA C 48 57.081 57.284 -0.203 1
1 408 . 8 1 1 A 48 48 MET CB C 48 31.934 31.924 0.010 1
1 410 . 8 1 1 A 49 49 SER H H 49 7.672 7.868 -0.196 1
1 411 . 8 1 1 A 49 49 SER HA H 49 4.536 4.606 -0.070 1
1 414 . 8 1 1 A 49 49 SER CA C 49 59.206 58.456 0.750 1
1 415 . 8 1 1 A 49 49 SER CB C 49 63.792 64.439 -0.647 1
1 416 . 8 1 1 A 50 50 ALA H H 50 7.602 7.554 0.048 1
1 417 . 8 1 1 A 50 50 ALA HA H 50 4.187 4.041 0.146 1
1 421 . 8 1 1 A 50 50 ALA CA C 50 52.637 53.244 -0.607 1
1 422 . 8 1 1 A 50 50 ALA CB C 50 17.896 19.196 -1.300 1
1 423 . 8 1 1 A 51 51 GLN H H 51 8.004 8.392 -0.388 1
1 424 . 8 1 1 A 51 51 GLN HA H 51 4.584 4.945 -0.361 1
1 431 . 8 1 1 A 51 51 GLN CA C 51 54.256 54.827 -0.571 1
1 432 . 8 1 1 A 51 51 GLN CB C 51 28.525 32.532 -4.007 1
1 8 . 9 1 1 A 2 2 PRO HA H 2 3.996 4.311 -0.315 1
1 15 . 9 1 1 A 2 2 PRO CA C 2 66.442 63.944 2.498 1
1 16 . 9 1 1 A 2 2 PRO CB C 2 30.824 31.552 -0.728 1
1 19 . 9 1 1 A 3 3 GLU H H 3 8.359 8.019 0.340 1
1 20 . 9 1 1 A 3 3 GLU HA H 3 4.085 3.975 0.110 1
1 25 . 9 1 1 A 3 3 GLU CA C 3 58.481 59.857 -1.376 1
1 26 . 9 1 1 A 3 3 GLU CB C 3 28.167 28.861 -0.694 1
1 28 . 9 1 1 A 4 4 ASP H H 4 7.555 8.099 -0.544 1
1 29 . 9 1 1 A 4 4 ASP HA H 4 4.379 4.199 0.180 1
1 32 . 9 1 1 A 4 4 ASP CA C 4 55.752 56.803 -1.051 1
1 33 . 9 1 1 A 4 4 ASP CB C 4 40.237 40.139 0.098 1
1 34 . 9 1 1 A 5 5 TRP H H 5 7.357 7.784 -0.427 1
1 35 . 9 1 1 A 5 5 TRP HA H 5 5.331 4.908 0.423 1
1 44 . 9 1 1 A 5 5 TRP CA C 5 54.949 56.890 -1.941 1
1 45 . 9 1 1 A 5 5 TRP CB C 5 31.983 29.632 2.351 1
1 51 . 9 1 1 A 6 6 PHE H H 6 7.664 7.686 -0.022 1
1 52 . 9 1 1 A 6 6 PHE HA H 6 5.144 4.876 0.268 1
1 60 . 9 1 1 A 6 6 PHE CB C 6 39.765 39.342 0.423 1
1 64 . 9 1 1 A 7 7 THR H H 7 8.099 7.973 0.126 1
1 65 . 9 1 1 A 7 7 THR HA H 7 4.628 4.795 -0.167 1
1 70 . 9 1 1 A 7 7 THR CA C 7 53.988 57.746 -3.758 1
1 71 . 9 1 1 A 7 7 THR CB C 7 69.001 70.579 -1.578 1
1 73 . 9 1 1 A 8 8 PRO HA H 8 3.311 4.188 -0.877 1
1 80 . 9 1 1 A 8 8 PRO CA C 8 63.015 64.305 -1.290 1
1 81 . 9 1 1 A 8 8 PRO CB C 8 31.169 31.912 -0.743 1
1 84 . 9 1 1 A 9 9 ASP H H 9 8.798 8.745 0.053 1
1 85 . 9 1 1 A 9 9 ASP HA H 9 4.249 4.415 -0.166 1
1 88 . 9 1 1 A 9 9 ASP CA C 9 56.899 56.060 0.839 1
1 89 . 9 1 1 A 9 9 ASP CB C 9 39.412 40.555 -1.143 1
1 90 . 9 1 1 A 10 10 THR H H 10 6.936 7.420 -0.484 1
1 91 . 9 1 1 A 10 10 THR HA H 10 4.405 4.495 -0.090 1
1 96 . 9 1 1 A 10 10 THR CA C 10 59.512 60.947 -1.435 1
1 97 . 9 1 1 A 10 10 THR CB C 10 68.463 69.526 -1.063 1
1 99 . 9 1 1 A 11 11 CYS H H 11 7.158 7.539 -0.381 1
1 100 . 9 1 1 A 11 11 CYS HA H 11 4.563 4.934 -0.371 1
1 103 . 9 1 1 A 11 11 CYS CB C 11 40.355 45.056 -4.701 1
1 104 . 9 1 1 A 12 12 ALA H H 12 8.807 8.630 0.177 1
1 105 . 9 1 1 A 12 12 ALA HA H 12 3.909 4.319 -0.410 1
1 109 . 9 1 1 A 12 12 ALA CA C 12 52.884 52.671 0.213 1
1 110 . 9 1 1 A 12 12 ALA CB C 12 17.564 19.419 -1.855 1
1 111 . 9 1 1 A 13 13 TYR H H 13 7.510 7.724 -0.214 1
1 112 . 9 1 1 A 13 13 TYR HA H 13 4.841 4.884 -0.043 1
1 119 . 9 1 1 A 13 13 TYR CB C 13 38.900 40.649 -1.749 1
1 122 . 9 1 1 A 14 14 GLY H H 14 9.002 8.735 0.267 1
1 123 . 9 1 1 A 14 14 GLY HA2 H 14 4.144 4.103 0.041 1
1 124 . 9 1 1 A 14 14 GLY HA3 H 14 3.971 4.279 -0.308 1
1 125 . 9 1 1 A 14 14 GLY CA C 14 46.044 45.895 0.149 1
1 126 . 9 1 1 A 15 15 ASP H H 15 7.322 8.037 -0.715 1
1 127 . 9 1 1 A 15 15 ASP HA H 15 4.789 4.552 0.237 1
1 130 . 9 1 1 A 15 15 ASP CB C 15 43.563 42.647 0.916 1
1 131 . 9 1 1 A 16 16 SER H H 16 8.796 8.585 0.211 1
1 132 . 9 1 1 A 16 16 SER HA H 16 3.006 4.368 -1.362 1
1 135 . 9 1 1 A 16 16 SER CA C 16 61.150 61.818 -0.668 1
1 136 . 9 1 1 A 16 16 SER CB C 16 61.849 62.347 -0.498 1
1 137 . 9 1 1 A 17 17 ASN H H 17 8.281 7.939 0.342 1
1 138 . 9 1 1 A 17 17 ASN HA H 17 4.679 4.457 0.222 1
1 143 . 9 1 1 A 17 17 ASN CA C 17 56.624 56.667 -0.043 1
1 144 . 9 1 1 A 17 17 ASN CB C 17 38.066 39.180 -1.114 1
1 145 . 9 1 1 A 18 18 THR H H 18 9.130 8.107 1.023 1
1 146 . 9 1 1 A 18 18 THR HA H 18 3.888 3.876 0.012 1
1 151 . 9 1 1 A 18 18 THR CA C 18 65.897 66.311 -0.414 1
1 152 . 9 1 1 A 18 18 THR CB C 18 67.277 68.528 -1.251 1
1 154 . 9 1 1 A 19 19 ALA H H 19 8.516 8.679 -0.163 1
1 155 . 9 1 1 A 19 19 ALA HA H 19 4.049 3.627 0.422 1
1 159 . 9 1 1 A 19 19 ALA CA C 19 55.280 55.275 0.005 1
1 160 . 9 1 1 A 19 19 ALA CB C 19 19.411 18.951 0.460 1
1 161 . 9 1 1 A 20 20 TRP H H 20 9.036 8.672 0.364 1
1 162 . 9 1 1 A 20 20 TRP HA H 20 4.110 4.585 -0.475 1
1 171 . 9 1 1 A 20 20 TRP CA C 20 61.191 61.758 -0.567 1
1 172 . 9 1 1 A 20 20 TRP CB C 20 28.615 30.027 -1.412 1
1 178 . 9 1 1 A 21 21 THR H H 21 8.630 8.416 0.214 1
1 179 . 9 1 1 A 21 21 THR HA H 21 3.650 4.132 -0.482 1
1 184 . 9 1 1 A 21 21 THR CA C 21 66.297 66.622 -0.325 1
1 185 . 9 1 1 A 21 21 THR CB C 21 68.329 68.588 -0.259 1
1 187 . 9 1 1 A 22 22 THR H H 22 8.509 7.907 0.602 1
1 188 . 9 1 1 A 22 22 THR HA H 22 3.605 3.751 -0.146 1
1 193 . 9 1 1 A 22 22 THR CA C 22 66.625 66.297 0.328 1
1 194 . 9 1 1 A 22 22 THR CB C 22 67.818 67.852 -0.034 1
1 196 . 9 1 1 A 23 23 CYS H H 23 8.357 8.157 0.200 1
1 197 . 9 1 1 A 23 23 CYS HA H 23 4.332 4.284 0.048 1
1 200 . 9 1 1 A 23 23 CYS CA C 23 57.046 58.749 -1.703 1
1 201 . 9 1 1 A 23 23 CYS CB C 23 40.331 41.880 -1.549 1
1 202 . 9 1 1 A 24 24 THR H H 24 7.178 7.289 -0.111 1
1 203 . 9 1 1 A 24 24 THR HA H 24 4.437 4.559 -0.122 1
1 208 . 9 1 1 A 24 24 THR CA C 24 60.381 61.490 -1.109 1
1 209 . 9 1 1 A 24 24 THR CB C 24 70.672 69.649 1.023 1
1 211 . 9 1 1 A 25 25 THR H H 25 7.220 7.093 0.127 1
1 212 . 9 1 1 A 25 25 THR HA H 25 5.154 5.070 0.084 1
1 217 . 9 1 1 A 25 25 THR CA C 25 59.059 58.478 0.581 1
1 218 . 9 1 1 A 25 25 THR CB C 25 69.107 70.200 -1.093 1
1 220 . 9 1 1 A 26 26 PRO HA H 26 4.549 4.596 -0.047 1
1 227 . 9 1 1 A 26 26 PRO CA C 26 64.733 63.131 1.602 1
1 228 . 9 1 1 A 26 26 PRO CB C 26 32.055 31.985 0.070 1
1 231 . 9 1 1 A 27 27 GLY H H 27 9.118 7.965 1.153 1
1 232 . 9 1 1 A 27 27 GLY HA2 H 27 4.555 4.211 0.344 1
1 233 . 9 1 1 A 27 27 GLY HA3 H 27 3.937 4.214 -0.277 1
1 234 . 9 1 1 A 27 27 GLY CA C 27 43.918 45.595 -1.677 1
1 235 . 9 1 1 A 28 28 GLN H H 28 8.971 8.816 0.155 1
1 236 . 9 1 1 A 28 28 GLN HA H 28 4.167 4.213 -0.046 1
1 243 . 9 1 1 A 28 28 GLN CA C 28 58.650 58.107 0.543 1
1 244 . 9 1 1 A 28 28 GLN CB C 28 28.853 28.188 0.665 1
1 246 . 9 1 1 A 29 29 THR H H 29 8.533 7.744 0.789 1
1 247 . 9 1 1 A 29 29 THR HA H 29 4.499 4.643 -0.144 1
1 252 . 9 1 1 A 29 29 THR CA C 29 59.513 59.724 -0.211 1
1 253 . 9 1 1 A 29 29 THR CB C 29 68.879 68.742 0.137 1
1 255 . 9 1 1 A 30 30 CYS H H 30 7.040 8.471 -1.431 1
1 256 . 9 1 1 A 30 30 CYS HA H 30 3.823 4.714 -0.891 1
1 259 . 9 1 1 A 30 30 CYS CA C 30 59.787 58.649 1.138 1
1 260 . 9 1 1 A 30 30 CYS CB C 30 41.483 28.104 13.379 1
1 261 . 9 1 1 A 31 31 TYR H H 31 9.732 8.519 1.213 1
1 262 . 9 1 1 A 31 31 TYR HA H 31 3.780 4.019 -0.239 1
1 269 . 9 1 1 A 31 31 TYR CA C 31 64.210 61.778 2.432 1
1 270 . 9 1 1 A 31 31 TYR CB C 31 39.118 38.751 0.367 1
1 273 . 9 1 1 A 32 32 THR H H 32 9.792 7.866 1.926 1
1 274 . 9 1 1 A 32 32 THR HA H 32 4.050 3.913 0.137 1
1 279 . 9 1 1 A 32 32 THR CA C 32 66.055 65.886 0.169 1
1 280 . 9 1 1 A 32 32 THR CB C 32 68.541 68.189 0.352 1
1 282 . 9 1 1 A 33 33 CYS H H 33 8.845 8.607 0.238 1
1 283 . 9 1 1 A 33 33 CYS HA H 33 4.948 3.956 0.992 1
1 286 . 9 1 1 A 33 33 CYS CB C 33 37.503 41.370 -3.867 1
1 287 . 9 1 1 A 34 34 CYS H H 34 8.129 8.062 0.067 1
1 288 . 9 1 1 A 34 34 CYS HA H 34 4.718 3.901 0.817 1
1 291 . 9 1 1 A 34 34 CYS CB C 34 33.988 41.615 -7.627 1
1 292 . 9 1 1 A 35 35 SER H H 35 7.542 7.644 -0.102 1
1 293 . 9 1 1 A 35 35 SER HA H 35 4.404 4.281 0.123 1
1 296 . 9 1 1 A 35 35 SER CA C 35 59.877 59.590 0.287 1
1 297 . 9 1 1 A 35 35 SER CB C 35 63.139 63.655 -0.516 1
1 298 . 9 1 1 A 36 36 SER H H 36 7.129 7.806 -0.677 1
1 299 . 9 1 1 A 36 36 SER HA H 36 4.692 4.549 0.143 1
1 302 . 9 1 1 A 36 36 SER CB C 36 62.611 63.002 -0.391 1
1 303 . 9 1 1 A 37 37 CYS H H 37 7.752 8.223 -0.471 1
1 304 . 9 1 1 A 37 37 CYS HA H 37 4.464 4.604 -0.140 1
1 307 . 9 1 1 A 37 37 CYS CA C 37 59.010 56.724 2.286 1
1 308 . 9 1 1 A 37 37 CYS CB C 37 48.093 44.648 3.445 1
1 309 . 9 1 1 A 38 38 PHE H H 38 7.013 7.803 -0.790 1
1 310 . 9 1 1 A 38 38 PHE HA H 38 5.633 5.296 0.337 1
1 317 . 9 1 1 A 38 38 PHE CA C 38 55.379 57.053 -1.674 1
1 318 . 9 1 1 A 38 38 PHE CB C 38 42.836 42.870 -0.034 1
1 322 . 9 1 1 A 39 39 ASP H H 39 8.871 8.426 0.445 1
1 323 . 9 1 1 A 39 39 ASP HA H 39 4.392 4.664 -0.272 1
1 326 . 9 1 1 A 39 39 ASP CA C 39 52.467 54.540 -2.073 1
1 327 . 9 1 1 A 39 39 ASP CB C 39 39.511 42.060 -2.549 1
1 328 . 9 1 1 A 40 40 VAL H H 40 8.003 8.494 -0.491 1
1 329 . 9 1 1 A 40 40 VAL HA H 40 3.985 3.929 0.056 1
1 337 . 9 1 1 A 40 40 VAL CA C 40 65.558 65.281 0.277 1
1 338 . 9 1 1 A 40 40 VAL CB C 40 29.014 31.588 -2.574 1
1 341 . 9 1 1 A 41 41 VAL H H 41 7.493 7.927 -0.434 1
1 342 . 9 1 1 A 41 41 VAL HA H 41 3.528 3.429 0.099 1
1 350 . 9 1 1 A 41 41 VAL CA C 41 65.014 65.971 -0.957 1
1 351 . 9 1 1 A 41 41 VAL CB C 41 31.518 31.328 0.190 1
1 354 . 9 1 1 A 42 42 GLY H H 42 8.730 7.569 1.161 1
1 355 . 9 1 1 A 42 42 GLY HA2 H 42 2.573 2.750 -0.177 1
1 356 . 9 1 1 A 42 42 GLY HA3 H 42 3.224 3.628 -0.404 1
1 357 . 9 1 1 A 42 42 GLY CA C 42 47.496 46.642 0.854 1
1 358 . 9 1 1 A 43 43 GLU H H 43 10.197 8.623 1.574 1
1 359 . 9 1 1 A 43 43 GLU HA H 43 3.776 4.230 -0.454 1
1 364 . 9 1 1 A 43 43 GLU CA C 43 58.892 59.564 -0.672 1
1 365 . 9 1 1 A 43 43 GLU CB C 43 29.300 29.331 -0.031 1
1 367 . 9 1 1 A 44 44 GLN H H 44 6.648 7.657 -1.009 1
1 368 . 9 1 1 A 44 44 GLN HA H 44 4.028 3.974 0.054 1
1 375 . 9 1 1 A 44 44 GLN CA C 44 57.875 58.913 -1.038 1
1 376 . 9 1 1 A 44 44 GLN CB C 44 27.790 28.792 -1.002 1
1 378 . 9 1 1 A 45 45 ALA H H 45 7.131 7.547 -0.416 1
1 379 . 9 1 1 A 45 45 ALA HA H 45 4.076 4.073 0.003 1
1 383 . 9 1 1 A 45 45 ALA CA C 45 54.601 55.166 -0.565 1
1 384 . 9 1 1 A 45 45 ALA CB C 45 17.623 17.650 -0.027 1
1 385 . 9 1 1 A 46 46 CYS H H 46 8.934 8.364 0.570 1
1 386 . 9 1 1 A 46 46 CYS HA H 46 3.116 3.585 -0.469 1
1 389 . 9 1 1 A 46 46 CYS CA C 46 58.321 59.060 -0.739 1
1 390 . 9 1 1 A 47 47 GLN H H 47 8.360 8.115 0.245 1
1 391 . 9 1 1 A 47 47 GLN HA H 47 3.352 3.708 -0.356 1
1 398 . 9 1 1 A 47 47 GLN CA C 47 58.364 58.786 -0.422 1
1 399 . 9 1 1 A 47 47 GLN CB C 47 26.924 27.905 -0.981 1
1 401 . 9 1 1 A 48 48 MET H H 48 8.112 8.184 -0.072 1
1 402 . 9 1 1 A 48 48 MET HA H 48 4.379 4.364 0.015 1
1 407 . 9 1 1 A 48 48 MET CA C 48 57.081 57.003 0.078 1
1 408 . 9 1 1 A 48 48 MET CB C 48 31.934 31.740 0.194 1
1 410 . 9 1 1 A 49 49 SER H H 49 7.672 8.261 -0.589 1
1 411 . 9 1 1 A 49 49 SER HA H 49 4.536 4.697 -0.161 1
1 414 . 9 1 1 A 49 49 SER CA C 49 59.206 57.736 1.470 1
1 415 . 9 1 1 A 49 49 SER CB C 49 63.792 64.362 -0.570 1
1 416 . 9 1 1 A 50 50 ALA H H 50 7.602 7.408 0.194 1
1 417 . 9 1 1 A 50 50 ALA HA H 50 4.187 4.398 -0.211 1
1 421 . 9 1 1 A 50 50 ALA CA C 50 52.637 51.099 1.538 1
1 422 . 9 1 1 A 50 50 ALA CB C 50 17.896 19.349 -1.453 1
1 423 . 9 1 1 A 51 51 GLN H H 51 8.004 8.108 -0.104 1
1 424 . 9 1 1 A 51 51 GLN HA H 51 4.584 4.931 -0.347 1
1 431 . 9 1 1 A 51 51 GLN CA C 51 54.256 54.782 -0.526 1
1 432 . 9 1 1 A 51 51 GLN CB C 51 28.525 29.112 -0.587 1
1 8 . 10 1 1 A 2 2 PRO HA H 2 3.996 4.753 -0.757 1
1 15 . 10 1 1 A 2 2 PRO CA C 2 66.442 64.298 2.144 1
1 16 . 10 1 1 A 2 2 PRO CB C 2 30.824 31.693 -0.869 1
1 19 . 10 1 1 A 3 3 GLU H H 3 8.359 8.327 0.032 1
1 20 . 10 1 1 A 3 3 GLU HA H 3 4.085 3.930 0.155 1
1 25 . 10 1 1 A 3 3 GLU CA C 3 58.481 59.309 -0.828 1
1 26 . 10 1 1 A 3 3 GLU CB C 3 28.167 29.134 -0.967 1
1 28 . 10 1 1 A 4 4 ASP H H 4 7.555 7.880 -0.325 1
1 29 . 10 1 1 A 4 4 ASP HA H 4 4.379 4.230 0.149 1
1 32 . 10 1 1 A 4 4 ASP CA C 4 55.752 56.641 -0.889 1
1 33 . 10 1 1 A 4 4 ASP CB C 4 40.237 40.258 -0.021 1
1 34 . 10 1 1 A 5 5 TRP H H 5 7.357 7.648 -0.291 1
1 35 . 10 1 1 A 5 5 TRP HA H 5 5.331 4.810 0.521 1
1 44 . 10 1 1 A 5 5 TRP CA C 5 54.949 56.866 -1.917 1
1 45 . 10 1 1 A 5 5 TRP CB C 5 31.983 30.075 1.908 1
1 51 . 10 1 1 A 6 6 PHE H H 6 7.664 7.112 0.552 1
1 52 . 10 1 1 A 6 6 PHE HA H 6 5.144 3.431 1.713 1
1 60 . 10 1 1 A 6 6 PHE CB C 6 39.765 39.539 0.226 1
1 64 . 10 1 1 A 7 7 THR H H 7 8.099 8.048 0.051 1
1 65 . 10 1 1 A 7 7 THR HA H 7 4.628 4.782 -0.154 1
1 70 . 10 1 1 A 7 7 THR CA C 7 53.988 58.448 -4.460 1
1 71 . 10 1 1 A 7 7 THR CB C 7 69.001 70.260 -1.259 1
1 73 . 10 1 1 A 8 8 PRO HA H 8 3.311 4.140 -0.829 1
1 80 . 10 1 1 A 8 8 PRO CA C 8 63.015 63.938 -0.923 1
1 81 . 10 1 1 A 8 8 PRO CB C 8 31.169 31.821 -0.652 1
1 84 . 10 1 1 A 9 9 ASP H H 9 8.798 8.304 0.494 1
1 85 . 10 1 1 A 9 9 ASP HA H 9 4.249 4.339 -0.090 1
1 88 . 10 1 1 A 9 9 ASP CA C 9 56.899 57.231 -0.332 1
1 89 . 10 1 1 A 9 9 ASP CB C 9 39.412 40.755 -1.343 1
1 90 . 10 1 1 A 10 10 THR H H 10 6.936 7.525 -0.589 1
1 91 . 10 1 1 A 10 10 THR HA H 10 4.405 4.203 0.202 1
1 96 . 10 1 1 A 10 10 THR CA C 10 59.512 62.230 -2.718 1
1 97 . 10 1 1 A 10 10 THR CB C 10 68.463 69.115 -0.652 1
1 99 . 10 1 1 A 11 11 CYS H H 11 7.158 7.688 -0.530 1
1 100 . 10 1 1 A 11 11 CYS HA H 11 4.563 4.918 -0.355 1
1 103 . 10 1 1 A 11 11 CYS CB C 11 40.355 44.339 -3.984 1
1 104 . 10 1 1 A 12 12 ALA H H 12 8.807 8.776 0.031 1
1 105 . 10 1 1 A 12 12 ALA HA H 12 3.909 4.438 -0.529 1
1 109 . 10 1 1 A 12 12 ALA CA C 12 52.884 52.805 0.079 1
1 110 . 10 1 1 A 12 12 ALA CB C 12 17.564 19.302 -1.738 1
1 111 . 10 1 1 A 13 13 TYR H H 13 7.510 7.863 -0.353 1
1 112 . 10 1 1 A 13 13 TYR HA H 13 4.841 4.973 -0.132 1
1 119 . 10 1 1 A 13 13 TYR CB C 13 38.900 40.522 -1.622 1
1 122 . 10 1 1 A 14 14 GLY H H 14 9.002 8.633 0.369 1
1 123 . 10 1 1 A 14 14 GLY HA2 H 14 4.144 4.191 -0.047 1
1 124 . 10 1 1 A 14 14 GLY HA3 H 14 3.971 4.360 -0.389 1
1 125 . 10 1 1 A 14 14 GLY CA C 14 46.044 45.635 0.409 1
1 126 . 10 1 1 A 15 15 ASP H H 15 7.322 8.031 -0.709 1
1 127 . 10 1 1 A 15 15 ASP HA H 15 4.789 4.627 0.162 1
1 130 . 10 1 1 A 15 15 ASP CB C 15 43.563 42.766 0.797 1
1 131 . 10 1 1 A 16 16 SER H H 16 8.796 8.711 0.085 1
1 132 . 10 1 1 A 16 16 SER HA H 16 3.006 4.284 -1.278 1
1 135 . 10 1 1 A 16 16 SER CA C 16 61.150 61.022 0.128 1
1 136 . 10 1 1 A 16 16 SER CB C 16 61.849 62.853 -1.004 1
1 137 . 10 1 1 A 17 17 ASN H H 17 8.281 7.841 0.440 1
1 138 . 10 1 1 A 17 17 ASN HA H 17 4.679 4.679 0.000 1
1 143 . 10 1 1 A 17 17 ASN CA C 17 56.624 56.553 0.071 1
1 144 . 10 1 1 A 17 17 ASN CB C 17 38.066 38.787 -0.721 1
1 145 . 10 1 1 A 18 18 THR H H 18 9.130 8.209 0.921 1
1 146 . 10 1 1 A 18 18 THR HA H 18 3.888 4.106 -0.218 1
1 151 . 10 1 1 A 18 18 THR CA C 18 65.897 66.615 -0.718 1
1 152 . 10 1 1 A 18 18 THR CB C 18 67.277 68.784 -1.507 1
1 154 . 10 1 1 A 19 19 ALA H H 19 8.516 8.894 -0.378 1
1 155 . 10 1 1 A 19 19 ALA HA H 19 4.049 3.805 0.244 1
1 159 . 10 1 1 A 19 19 ALA CA C 19 55.280 55.294 -0.014 1
1 160 . 10 1 1 A 19 19 ALA CB C 19 19.411 19.120 0.291 1
1 161 . 10 1 1 A 20 20 TRP H H 20 9.036 8.812 0.224 1
1 162 . 10 1 1 A 20 20 TRP HA H 20 4.110 3.955 0.155 1
1 171 . 10 1 1 A 20 20 TRP CA C 20 61.191 61.358 -0.167 1
1 172 . 10 1 1 A 20 20 TRP CB C 20 28.615 29.671 -1.056 1
1 178 . 10 1 1 A 21 21 THR H H 21 8.630 8.601 0.029 1
1 179 . 10 1 1 A 21 21 THR HA H 21 3.650 4.179 -0.529 1
1 184 . 10 1 1 A 21 21 THR CA C 21 66.297 66.281 0.016 1
1 185 . 10 1 1 A 21 21 THR CB C 21 68.329 68.418 -0.089 1
1 187 . 10 1 1 A 22 22 THR H H 22 8.509 7.778 0.731 1
1 188 . 10 1 1 A 22 22 THR HA H 22 3.605 3.787 -0.182 1
1 193 . 10 1 1 A 22 22 THR CA C 22 66.625 66.584 0.041 1
1 194 . 10 1 1 A 22 22 THR CB C 22 67.818 68.286 -0.468 1
1 196 . 10 1 1 A 23 23 CYS H H 23 8.357 8.346 0.011 1
1 197 . 10 1 1 A 23 23 CYS HA H 23 4.332 4.149 0.183 1
1 200 . 10 1 1 A 23 23 CYS CA C 23 57.046 60.262 -3.216 1
1 201 . 10 1 1 A 23 23 CYS CB C 23 40.331 41.968 -1.637 1
1 202 . 10 1 1 A 24 24 THR H H 24 7.178 7.499 -0.321 1
1 203 . 10 1 1 A 24 24 THR HA H 24 4.437 4.162 0.275 1
1 208 . 10 1 1 A 24 24 THR CA C 24 60.381 62.422 -2.041 1
1 209 . 10 1 1 A 24 24 THR CB C 24 70.672 69.342 1.330 1
1 211 . 10 1 1 A 25 25 THR H H 25 7.220 7.140 0.080 1
1 212 . 10 1 1 A 25 25 THR HA H 25 5.154 5.023 0.131 1
1 217 . 10 1 1 A 25 25 THR CA C 25 59.059 58.640 0.419 1
1 218 . 10 1 1 A 25 25 THR CB C 25 69.107 70.288 -1.181 1
1 220 . 10 1 1 A 26 26 PRO HA H 26 4.549 4.448 0.101 1
1 227 . 10 1 1 A 26 26 PRO CA C 26 64.733 63.557 1.176 1
1 228 . 10 1 1 A 26 26 PRO CB C 26 32.055 32.025 0.030 1
1 231 . 10 1 1 A 27 27 GLY H H 27 9.118 8.040 1.078 1
1 232 . 10 1 1 A 27 27 GLY HA2 H 27 4.555 4.197 0.358 1
1 233 . 10 1 1 A 27 27 GLY HA3 H 27 3.937 4.199 -0.262 1
1 234 . 10 1 1 A 27 27 GLY CA C 27 43.918 45.457 -1.539 1
1 235 . 10 1 1 A 28 28 GLN H H 28 8.971 8.816 0.155 1
1 236 . 10 1 1 A 28 28 GLN HA H 28 4.167 4.172 -0.005 1
1 243 . 10 1 1 A 28 28 GLN CA C 28 58.650 58.074 0.576 1
1 244 . 10 1 1 A 28 28 GLN CB C 28 28.853 28.275 0.578 1
1 246 . 10 1 1 A 29 29 THR H H 29 8.533 7.630 0.903 1
1 247 . 10 1 1 A 29 29 THR HA H 29 4.499 4.620 -0.121 1
1 252 . 10 1 1 A 29 29 THR CA C 29 59.513 59.741 -0.228 1
1 253 . 10 1 1 A 29 29 THR CB C 29 68.879 68.944 -0.065 1
1 255 . 10 1 1 A 30 30 CYS H H 30 7.040 8.432 -1.392 1
1 256 . 10 1 1 A 30 30 CYS HA H 30 3.823 4.512 -0.689 1
1 259 . 10 1 1 A 30 30 CYS CA C 30 59.787 57.660 2.127 1
1 260 . 10 1 1 A 30 30 CYS CB C 30 41.483 28.815 12.668 1
1 261 . 10 1 1 A 31 31 TYR H H 31 9.732 8.827 0.905 1
1 262 . 10 1 1 A 31 31 TYR HA H 31 3.780 3.954 -0.174 1
1 269 . 10 1 1 A 31 31 TYR CA C 31 64.210 61.828 2.382 1
1 270 . 10 1 1 A 31 31 TYR CB C 31 39.118 38.627 0.491 1
1 273 . 10 1 1 A 32 32 THR H H 32 9.792 8.161 1.631 1
1 274 . 10 1 1 A 32 32 THR HA H 32 4.050 3.770 0.280 1
1 279 . 10 1 1 A 32 32 THR CA C 32 66.055 66.590 -0.535 1
1 280 . 10 1 1 A 32 32 THR CB C 32 68.541 68.379 0.162 1
1 282 . 10 1 1 A 33 33 CYS H H 33 8.845 8.722 0.123 1
1 283 . 10 1 1 A 33 33 CYS HA H 33 4.948 3.962 0.986 1
1 286 . 10 1 1 A 33 33 CYS CB C 33 37.503 41.547 -4.044 1
1 287 . 10 1 1 A 34 34 CYS H H 34 8.129 8.295 -0.166 1
1 288 . 10 1 1 A 34 34 CYS HA H 34 4.718 3.974 0.744 1
1 291 . 10 1 1 A 34 34 CYS CB C 34 33.988 41.099 -7.111 1
1 292 . 10 1 1 A 35 35 SER H H 35 7.542 7.787 -0.245 1
1 293 . 10 1 1 A 35 35 SER HA H 35 4.404 4.078 0.326 1
1 296 . 10 1 1 A 35 35 SER CA C 35 59.877 62.022 -2.145 1
1 297 . 10 1 1 A 35 35 SER CB C 35 63.139 63.089 0.050 1
1 298 . 10 1 1 A 36 36 SER H H 36 7.129 7.902 -0.773 1
1 299 . 10 1 1 A 36 36 SER HA H 36 4.692 4.397 0.295 1
1 302 . 10 1 1 A 36 36 SER CB C 36 62.611 62.584 0.027 1
1 303 . 10 1 1 A 37 37 CYS H H 37 7.752 8.362 -0.610 1
1 304 . 10 1 1 A 37 37 CYS HA H 37 4.464 4.916 -0.452 1
1 307 . 10 1 1 A 37 37 CYS CA C 37 59.010 57.225 1.785 1
1 308 . 10 1 1 A 37 37 CYS CB C 37 48.093 45.703 2.390 1
1 309 . 10 1 1 A 38 38 PHE H H 38 7.013 8.052 -1.039 1
1 310 . 10 1 1 A 38 38 PHE HA H 38 5.633 5.393 0.240 1
1 317 . 10 1 1 A 38 38 PHE CA C 38 55.379 56.881 -1.502 1
1 318 . 10 1 1 A 38 38 PHE CB C 38 42.836 43.310 -0.474 1
1 322 . 10 1 1 A 39 39 ASP H H 39 8.871 9.006 -0.135 1
1 323 . 10 1 1 A 39 39 ASP HA H 39 4.392 4.714 -0.322 1
1 326 . 10 1 1 A 39 39 ASP CA C 39 52.467 54.493 -2.026 1
1 327 . 10 1 1 A 39 39 ASP CB C 39 39.511 42.100 -2.589 1
1 328 . 10 1 1 A 40 40 VAL H H 40 8.003 8.517 -0.514 1
1 329 . 10 1 1 A 40 40 VAL HA H 40 3.985 3.709 0.276 1
1 337 . 10 1 1 A 40 40 VAL CA C 40 65.558 65.396 0.162 1
1 338 . 10 1 1 A 40 40 VAL CB C 40 29.014 31.765 -2.751 1
1 341 . 10 1 1 A 41 41 VAL H H 41 7.493 8.048 -0.555 1
1 342 . 10 1 1 A 41 41 VAL HA H 41 3.528 3.455 0.073 1
1 350 . 10 1 1 A 41 41 VAL CA C 41 65.014 65.923 -0.909 1
1 351 . 10 1 1 A 41 41 VAL CB C 41 31.518 31.157 0.361 1
1 354 . 10 1 1 A 42 42 GLY H H 42 8.730 8.047 0.683 1
1 355 . 10 1 1 A 42 42 GLY HA2 H 42 2.573 3.273 -0.700 1
1 356 . 10 1 1 A 42 42 GLY HA3 H 42 3.224 4.148 -0.924 1
1 357 . 10 1 1 A 42 42 GLY CA C 42 47.496 46.932 0.564 1
1 358 . 10 1 1 A 43 43 GLU H H 43 10.197 8.824 1.373 1
1 359 . 10 1 1 A 43 43 GLU HA H 43 3.776 3.921 -0.145 1
1 364 . 10 1 1 A 43 43 GLU CA C 43 58.892 59.499 -0.607 1
1 365 . 10 1 1 A 43 43 GLU CB C 43 29.300 29.539 -0.239 1
1 367 . 10 1 1 A 44 44 GLN H H 44 6.648 8.335 -1.687 1
1 368 . 10 1 1 A 44 44 GLN HA H 44 4.028 3.964 0.064 1
1 375 . 10 1 1 A 44 44 GLN CA C 44 57.875 58.431 -0.556 1
1 376 . 10 1 1 A 44 44 GLN CB C 44 27.790 27.722 0.068 1
1 378 . 10 1 1 A 45 45 ALA H H 45 7.131 7.951 -0.820 1
1 379 . 10 1 1 A 45 45 ALA HA H 45 4.076 4.072 0.004 1
1 383 . 10 1 1 A 45 45 ALA CA C 45 54.601 55.053 -0.452 1
1 384 . 10 1 1 A 45 45 ALA CB C 45 17.623 18.189 -0.566 1
1 385 . 10 1 1 A 46 46 CYS H H 46 8.934 8.304 0.630 1
1 386 . 10 1 1 A 46 46 CYS HA H 46 3.116 3.153 -0.037 1
1 389 . 10 1 1 A 46 46 CYS CA C 46 58.321 59.040 -0.719 1
1 390 . 10 1 1 A 47 47 GLN H H 47 8.360 8.235 0.125 1
1 391 . 10 1 1 A 47 47 GLN HA H 47 3.352 3.774 -0.422 1
1 398 . 10 1 1 A 47 47 GLN CA C 47 58.364 59.068 -0.704 1
1 399 . 10 1 1 A 47 47 GLN CB C 47 26.924 27.938 -1.014 1
1 401 . 10 1 1 A 48 48 MET H H 48 8.112 7.929 0.183 1
1 402 . 10 1 1 A 48 48 MET HA H 48 4.379 4.388 -0.009 1
1 407 . 10 1 1 A 48 48 MET CA C 48 57.081 57.770 -0.689 1
1 408 . 10 1 1 A 48 48 MET CB C 48 31.934 32.575 -0.641 1
1 410 . 10 1 1 A 49 49 SER H H 49 7.672 7.677 -0.005 1
1 411 . 10 1 1 A 49 49 SER HA H 49 4.536 4.335 0.201 1
1 414 . 10 1 1 A 49 49 SER CA C 49 59.206 60.519 -1.313 1
1 415 . 10 1 1 A 49 49 SER CB C 49 63.792 63.254 0.538 1
1 416 . 10 1 1 A 50 50 ALA H H 50 7.602 7.360 0.242 1
1 417 . 10 1 1 A 50 50 ALA HA H 50 4.187 4.350 -0.163 1
1 421 . 10 1 1 A 50 50 ALA CA C 50 52.637 51.220 1.417 1
1 422 . 10 1 1 A 50 50 ALA CB C 50 17.896 19.471 -1.575 1
1 423 . 10 1 1 A 51 51 GLN H H 51 8.004 8.803 -0.799 1
1 424 . 10 1 1 A 51 51 GLN HA H 51 4.584 4.711 -0.127 1
1 431 . 10 1 1 A 51 51 GLN CA C 51 54.256 54.290 -0.034 1
1 432 . 10 1 1 A 51 51 GLN CB C 51 28.525 29.287 -0.762 1
1 8 . 11 1 1 A 2 2 PRO HA H 2 3.996 4.665 -0.669 1
1 15 . 11 1 1 A 2 2 PRO CA C 2 66.442 64.321 2.121 1
1 16 . 11 1 1 A 2 2 PRO CB C 2 30.824 31.624 -0.800 1
1 19 . 11 1 1 A 3 3 GLU H H 3 8.359 8.198 0.161 1
1 20 . 11 1 1 A 3 3 GLU HA H 3 4.085 4.136 -0.051 1
1 25 . 11 1 1 A 3 3 GLU CA C 3 58.481 58.203 0.278 1
1 26 . 11 1 1 A 3 3 GLU CB C 3 28.167 29.221 -1.054 1
1 28 . 11 1 1 A 4 4 ASP H H 4 7.555 7.791 -0.236 1
1 29 . 11 1 1 A 4 4 ASP HA H 4 4.379 4.379 0.000 1
1 32 . 11 1 1 A 4 4 ASP CA C 4 55.752 56.344 -0.592 1
1 33 . 11 1 1 A 4 4 ASP CB C 4 40.237 40.886 -0.649 1
1 34 . 11 1 1 A 5 5 TRP H H 5 7.357 6.897 0.460 1
1 35 . 11 1 1 A 5 5 TRP HA H 5 5.331 4.550 0.781 1
1 44 . 11 1 1 A 5 5 TRP CA C 5 54.949 57.641 -2.692 1
1 45 . 11 1 1 A 5 5 TRP CB C 5 31.983 29.046 2.937 1
1 51 . 11 1 1 A 6 6 PHE H H 6 7.664 7.376 0.288 1
1 52 . 11 1 1 A 6 6 PHE HA H 6 5.144 3.700 1.444 1
1 60 . 11 1 1 A 6 6 PHE CB C 6 39.765 38.791 0.974 1
1 64 . 11 1 1 A 7 7 THR H H 7 8.099 7.751 0.348 1
1 65 . 11 1 1 A 7 7 THR HA H 7 4.628 4.919 -0.291 1
1 70 . 11 1 1 A 7 7 THR CA C 7 53.988 58.851 -4.863 1
1 71 . 11 1 1 A 7 7 THR CB C 7 69.001 69.617 -0.616 1
1 73 . 11 1 1 A 8 8 PRO HA H 8 3.311 4.086 -0.775 1
1 80 . 11 1 1 A 8 8 PRO CA C 8 63.015 64.235 -1.220 1
1 81 . 11 1 1 A 8 8 PRO CB C 8 31.169 31.710 -0.541 1
1 84 . 11 1 1 A 9 9 ASP H H 9 8.798 8.702 0.096 1
1 85 . 11 1 1 A 9 9 ASP HA H 9 4.249 4.283 -0.034 1
1 88 . 11 1 1 A 9 9 ASP CA C 9 56.899 56.946 -0.047 1
1 89 . 11 1 1 A 9 9 ASP CB C 9 39.412 40.670 -1.258 1
1 90 . 11 1 1 A 10 10 THR H H 10 6.936 7.030 -0.094 1
1 91 . 11 1 1 A 10 10 THR HA H 10 4.405 4.491 -0.086 1
1 96 . 11 1 1 A 10 10 THR CA C 10 59.512 60.435 -0.923 1
1 97 . 11 1 1 A 10 10 THR CB C 10 68.463 68.368 0.095 1
1 99 . 11 1 1 A 11 11 CYS H H 11 7.158 7.630 -0.472 1
1 100 . 11 1 1 A 11 11 CYS HA H 11 4.563 4.760 -0.197 1
1 103 . 11 1 1 A 11 11 CYS CB C 11 40.355 44.085 -3.730 1
1 104 . 11 1 1 A 12 12 ALA H H 12 8.807 8.451 0.356 1
1 105 . 11 1 1 A 12 12 ALA HA H 12 3.909 4.160 -0.251 1
1 109 . 11 1 1 A 12 12 ALA CA C 12 52.884 52.969 -0.085 1
1 110 . 11 1 1 A 12 12 ALA CB C 12 17.564 18.567 -1.003 1
1 111 . 11 1 1 A 13 13 TYR H H 13 7.510 7.365 0.145 1
1 112 . 11 1 1 A 13 13 TYR HA H 13 4.841 4.958 -0.117 1
1 119 . 11 1 1 A 13 13 TYR CB C 13 38.900 38.912 -0.012 1
1 122 . 11 1 1 A 14 14 GLY H H 14 9.002 9.028 -0.026 1
1 123 . 11 1 1 A 14 14 GLY HA2 H 14 4.144 3.940 0.204 1
1 124 . 11 1 1 A 14 14 GLY HA3 H 14 3.971 4.126 -0.155 1
1 125 . 11 1 1 A 14 14 GLY CA C 14 46.044 46.688 -0.644 1
1 126 . 11 1 1 A 15 15 ASP H H 15 7.322 7.967 -0.645 1
1 127 . 11 1 1 A 15 15 ASP HA H 15 4.789 4.821 -0.032 1
1 130 . 11 1 1 A 15 15 ASP CB C 15 43.563 43.963 -0.400 1
1 131 . 11 1 1 A 16 16 SER H H 16 8.796 8.726 0.070 1
1 132 . 11 1 1 A 16 16 SER HA H 16 3.006 4.726 -1.720 1
1 135 . 11 1 1 A 16 16 SER CA C 16 61.150 61.398 -0.248 1
1 136 . 11 1 1 A 16 16 SER CB C 16 61.849 63.032 -1.183 1
1 137 . 11 1 1 A 17 17 ASN H H 17 8.281 7.765 0.516 1
1 138 . 11 1 1 A 17 17 ASN HA H 17 4.679 4.656 0.023 1
1 143 . 11 1 1 A 17 17 ASN CA C 17 56.624 56.612 0.012 1
1 144 . 11 1 1 A 17 17 ASN CB C 17 38.066 38.864 -0.798 1
1 145 . 11 1 1 A 18 18 THR H H 18 9.130 8.171 0.959 1
1 146 . 11 1 1 A 18 18 THR HA H 18 3.888 3.941 -0.053 1
1 151 . 11 1 1 A 18 18 THR CA C 18 65.897 66.442 -0.545 1
1 152 . 11 1 1 A 18 18 THR CB C 18 67.277 68.758 -1.481 1
1 154 . 11 1 1 A 19 19 ALA H H 19 8.516 8.741 -0.225 1
1 155 . 11 1 1 A 19 19 ALA HA H 19 4.049 4.346 -0.297 1
1 159 . 11 1 1 A 19 19 ALA CA C 19 55.280 55.417 -0.137 1
1 160 . 11 1 1 A 19 19 ALA CB C 19 19.411 19.218 0.193 1
1 161 . 11 1 1 A 20 20 TRP H H 20 9.036 8.547 0.489 1
1 162 . 11 1 1 A 20 20 TRP HA H 20 4.110 3.939 0.171 1
1 171 . 11 1 1 A 20 20 TRP CA C 20 61.191 61.473 -0.282 1
1 172 . 11 1 1 A 20 20 TRP CB C 20 28.615 29.611 -0.996 1
1 178 . 11 1 1 A 21 21 THR H H 21 8.630 8.325 0.305 1
1 179 . 11 1 1 A 21 21 THR HA H 21 3.650 4.122 -0.472 1
1 184 . 11 1 1 A 21 21 THR CA C 21 66.297 66.317 -0.020 1
1 185 . 11 1 1 A 21 21 THR CB C 21 68.329 68.458 -0.129 1
1 187 . 11 1 1 A 22 22 THR H H 22 8.509 7.974 0.535 1
1 188 . 11 1 1 A 22 22 THR HA H 22 3.605 3.687 -0.082 1
1 193 . 11 1 1 A 22 22 THR CA C 22 66.625 66.643 -0.018 1
1 194 . 11 1 1 A 22 22 THR CB C 22 67.818 67.546 0.272 1
1 196 . 11 1 1 A 23 23 CYS H H 23 8.357 8.107 0.250 1
1 197 . 11 1 1 A 23 23 CYS HA H 23 4.332 4.589 -0.257 1
1 200 . 11 1 1 A 23 23 CYS CA C 23 57.046 59.160 -2.114 1
1 201 . 11 1 1 A 23 23 CYS CB C 23 40.331 42.036 -1.705 1
1 202 . 11 1 1 A 24 24 THR H H 24 7.178 7.431 -0.253 1
1 203 . 11 1 1 A 24 24 THR HA H 24 4.437 4.478 -0.041 1
1 208 . 11 1 1 A 24 24 THR CA C 24 60.381 61.262 -0.881 1
1 209 . 11 1 1 A 24 24 THR CB C 24 70.672 69.041 1.631 1
1 211 . 11 1 1 A 25 25 THR H H 25 7.220 7.389 -0.169 1
1 212 . 11 1 1 A 25 25 THR HA H 25 5.154 5.108 0.046 1
1 217 . 11 1 1 A 25 25 THR CA C 25 59.059 58.701 0.358 1
1 218 . 11 1 1 A 25 25 THR CB C 25 69.107 70.799 -1.692 1
1 220 . 11 1 1 A 26 26 PRO HA H 26 4.549 4.563 -0.014 1
1 227 . 11 1 1 A 26 26 PRO CA C 26 64.733 63.215 1.518 1
1 228 . 11 1 1 A 26 26 PRO CB C 26 32.055 31.998 0.057 1
1 231 . 11 1 1 A 27 27 GLY H H 27 9.118 8.013 1.105 1
1 232 . 11 1 1 A 27 27 GLY HA2 H 27 4.555 4.195 0.360 1
1 233 . 11 1 1 A 27 27 GLY HA3 H 27 3.937 4.201 -0.264 1
1 234 . 11 1 1 A 27 27 GLY CA C 27 43.918 45.415 -1.497 1
1 235 . 11 1 1 A 28 28 GLN H H 28 8.971 8.775 0.196 1
1 236 . 11 1 1 A 28 28 GLN HA H 28 4.167 4.197 -0.030 1
1 243 . 11 1 1 A 28 28 GLN CA C 28 58.650 57.753 0.897 1
1 244 . 11 1 1 A 28 28 GLN CB C 28 28.853 28.231 0.622 1
1 246 . 11 1 1 A 29 29 THR H H 29 8.533 7.676 0.857 1
1 247 . 11 1 1 A 29 29 THR HA H 29 4.499 4.658 -0.159 1
1 252 . 11 1 1 A 29 29 THR CA C 29 59.513 59.776 -0.263 1
1 253 . 11 1 1 A 29 29 THR CB C 29 68.879 68.916 -0.037 1
1 255 . 11 1 1 A 30 30 CYS H H 30 7.040 8.513 -1.473 1
1 256 . 11 1 1 A 30 30 CYS HA H 30 3.823 4.614 -0.791 1
1 259 . 11 1 1 A 30 30 CYS CA C 30 59.787 58.712 1.075 1
1 260 . 11 1 1 A 30 30 CYS CB C 30 41.483 28.192 13.291 1
1 261 . 11 1 1 A 31 31 TYR H H 31 9.732 8.554 1.178 1
1 262 . 11 1 1 A 31 31 TYR HA H 31 3.780 3.990 -0.210 1
1 269 . 11 1 1 A 31 31 TYR CA C 31 64.210 61.804 2.406 1
1 270 . 11 1 1 A 31 31 TYR CB C 31 39.118 38.749 0.369 1
1 273 . 11 1 1 A 32 32 THR H H 32 9.792 7.982 1.810 1
1 274 . 11 1 1 A 32 32 THR HA H 32 4.050 3.779 0.271 1
1 279 . 11 1 1 A 32 32 THR CA C 32 66.055 66.311 -0.256 1
1 280 . 11 1 1 A 32 32 THR CB C 32 68.541 67.896 0.645 1
1 282 . 11 1 1 A 33 33 CYS H H 33 8.845 8.654 0.191 1
1 283 . 11 1 1 A 33 33 CYS HA H 33 4.948 4.101 0.847 1
1 286 . 11 1 1 A 33 33 CYS CB C 33 37.503 41.740 -4.237 1
1 287 . 11 1 1 A 34 34 CYS H H 34 8.129 7.673 0.456 1
1 288 . 11 1 1 A 34 34 CYS HA H 34 4.718 3.935 0.783 1
1 291 . 11 1 1 A 34 34 CYS CB C 34 33.988 41.381 -7.393 1
1 292 . 11 1 1 A 35 35 SER H H 35 7.542 7.822 -0.280 1
1 293 . 11 1 1 A 35 35 SER HA H 35 4.404 4.357 0.047 1
1 296 . 11 1 1 A 35 35 SER CA C 35 59.877 59.229 0.648 1
1 297 . 11 1 1 A 35 35 SER CB C 35 63.139 63.544 -0.405 1
1 298 . 11 1 1 A 36 36 SER H H 36 7.129 7.715 -0.586 1
1 299 . 11 1 1 A 36 36 SER HA H 36 4.692 4.636 0.056 1
1 302 . 11 1 1 A 36 36 SER CB C 36 62.611 62.708 -0.097 1
1 303 . 11 1 1 A 37 37 CYS H H 37 7.752 8.555 -0.803 1
1 304 . 11 1 1 A 37 37 CYS HA H 37 4.464 4.820 -0.356 1
1 307 . 11 1 1 A 37 37 CYS CA C 37 59.010 57.327 1.683 1
1 308 . 11 1 1 A 37 37 CYS CB C 37 48.093 45.333 2.760 1
1 309 . 11 1 1 A 38 38 PHE H H 38 7.013 8.277 -1.264 1
1 310 . 11 1 1 A 38 38 PHE HA H 38 5.633 5.235 0.398 1
1 317 . 11 1 1 A 38 38 PHE CA C 38 55.379 57.123 -1.744 1
1 318 . 11 1 1 A 38 38 PHE CB C 38 42.836 42.415 0.421 1
1 322 . 11 1 1 A 39 39 ASP H H 39 8.871 8.669 0.202 1
1 323 . 11 1 1 A 39 39 ASP HA H 39 4.392 4.678 -0.286 1
1 326 . 11 1 1 A 39 39 ASP CA C 39 52.467 54.533 -2.066 1
1 327 . 11 1 1 A 39 39 ASP CB C 39 39.511 42.089 -2.578 1
1 328 . 11 1 1 A 40 40 VAL H H 40 8.003 8.507 -0.504 1
1 329 . 11 1 1 A 40 40 VAL HA H 40 3.985 3.751 0.234 1
1 337 . 11 1 1 A 40 40 VAL CA C 40 65.558 65.405 0.153 1
1 338 . 11 1 1 A 40 40 VAL CB C 40 29.014 31.751 -2.737 1
1 341 . 11 1 1 A 41 41 VAL H H 41 7.493 8.030 -0.537 1
1 342 . 11 1 1 A 41 41 VAL HA H 41 3.528 3.434 0.094 1
1 350 . 11 1 1 A 41 41 VAL CA C 41 65.014 66.021 -1.007 1
1 351 . 11 1 1 A 41 41 VAL CB C 41 31.518 31.235 0.283 1
1 354 . 11 1 1 A 42 42 GLY H H 42 8.730 7.958 0.772 1
1 355 . 11 1 1 A 42 42 GLY HA2 H 42 2.573 3.541 -0.968 1
1 356 . 11 1 1 A 42 42 GLY HA3 H 42 3.224 4.173 -0.949 1
1 357 . 11 1 1 A 42 42 GLY CA C 42 47.496 47.188 0.308 1
1 358 . 11 1 1 A 43 43 GLU H H 43 10.197 8.940 1.257 1
1 359 . 11 1 1 A 43 43 GLU HA H 43 3.776 3.862 -0.086 1
1 364 . 11 1 1 A 43 43 GLU CA C 43 58.892 59.672 -0.780 1
1 365 . 11 1 1 A 43 43 GLU CB C 43 29.300 29.484 -0.184 1
1 367 . 11 1 1 A 44 44 GLN H H 44 6.648 8.023 -1.375 1
1 368 . 11 1 1 A 44 44 GLN HA H 44 4.028 3.948 0.080 1
1 375 . 11 1 1 A 44 44 GLN CA C 44 57.875 58.904 -1.029 1
1 376 . 11 1 1 A 44 44 GLN CB C 44 27.790 28.771 -0.981 1
1 378 . 11 1 1 A 45 45 ALA H H 45 7.131 7.950 -0.819 1
1 379 . 11 1 1 A 45 45 ALA HA H 45 4.076 4.000 0.076 1
1 383 . 11 1 1 A 45 45 ALA CA C 45 54.601 54.447 0.154 1
1 384 . 11 1 1 A 45 45 ALA CB C 45 17.623 17.907 -0.284 1
1 385 . 11 1 1 A 46 46 CYS H H 46 8.934 8.030 0.904 1
1 386 . 11 1 1 A 46 46 CYS HA H 46 3.116 3.450 -0.334 1
1 389 . 11 1 1 A 46 46 CYS CA C 46 58.321 58.473 -0.152 1
1 390 . 11 1 1 A 47 47 GLN H H 47 8.360 8.223 0.137 1
1 391 . 11 1 1 A 47 47 GLN HA H 47 3.352 3.561 -0.209 1
1 398 . 11 1 1 A 47 47 GLN CA C 47 58.364 59.047 -0.683 1
1 399 . 11 1 1 A 47 47 GLN CB C 47 26.924 28.030 -1.106 1
1 401 . 11 1 1 A 48 48 MET H H 48 8.112 8.514 -0.402 1
1 402 . 11 1 1 A 48 48 MET HA H 48 4.379 4.219 0.160 1
1 407 . 11 1 1 A 48 48 MET CA C 48 57.081 58.044 -0.963 1
1 408 . 11 1 1 A 48 48 MET CB C 48 31.934 32.534 -0.600 1
1 410 . 11 1 1 A 49 49 SER H H 49 7.672 7.568 0.104 1
1 411 . 11 1 1 A 49 49 SER HA H 49 4.536 4.456 0.080 1
1 414 . 11 1 1 A 49 49 SER CA C 49 59.206 60.824 -1.618 1
1 415 . 11 1 1 A 49 49 SER CB C 49 63.792 64.025 -0.233 1
1 416 . 11 1 1 A 50 50 ALA H H 50 7.602 7.721 -0.119 1
1 417 . 11 1 1 A 50 50 ALA HA H 50 4.187 4.086 0.101 1
1 421 . 11 1 1 A 50 50 ALA CA C 50 52.637 52.514 0.123 1
1 422 . 11 1 1 A 50 50 ALA CB C 50 17.896 19.125 -1.229 1
1 423 . 11 1 1 A 51 51 GLN H H 51 8.004 8.913 -0.909 1
1 424 . 11 1 1 A 51 51 GLN HA H 51 4.584 4.818 -0.234 1
1 431 . 11 1 1 A 51 51 GLN CA C 51 54.256 54.578 -0.322 1
1 432 . 11 1 1 A 51 51 GLN CB C 51 28.525 29.661 -1.136 1
1 8 . 12 1 1 A 2 2 PRO HA H 2 3.996 4.820 -0.824 1
1 15 . 12 1 1 A 2 2 PRO CA C 2 66.442 64.077 2.365 1
1 16 . 12 1 1 A 2 2 PRO CB C 2 30.824 31.682 -0.858 1
1 19 . 12 1 1 A 3 3 GLU H H 3 8.359 8.392 -0.033 1
1 20 . 12 1 1 A 3 3 GLU HA H 3 4.085 3.957 0.128 1
1 25 . 12 1 1 A 3 3 GLU CA C 3 58.481 59.071 -0.590 1
1 26 . 12 1 1 A 3 3 GLU CB C 3 28.167 29.370 -1.203 1
1 28 . 12 1 1 A 4 4 ASP H H 4 7.555 7.903 -0.348 1
1 29 . 12 1 1 A 4 4 ASP HA H 4 4.379 4.257 0.122 1
1 32 . 12 1 1 A 4 4 ASP CA C 4 55.752 56.325 -0.573 1
1 33 . 12 1 1 A 4 4 ASP CB C 4 40.237 40.338 -0.101 1
1 34 . 12 1 1 A 5 5 TRP H H 5 7.357 7.698 -0.341 1
1 35 . 12 1 1 A 5 5 TRP HA H 5 5.331 4.893 0.438 1
1 44 . 12 1 1 A 5 5 TRP CA C 5 54.949 56.774 -1.825 1
1 45 . 12 1 1 A 5 5 TRP CB C 5 31.983 29.880 2.103 1
1 51 . 12 1 1 A 6 6 PHE H H 6 7.664 7.141 0.523 1
1 52 . 12 1 1 A 6 6 PHE HA H 6 5.144 3.708 1.436 1
1 60 . 12 1 1 A 6 6 PHE CB C 6 39.765 38.780 0.985 1
1 64 . 12 1 1 A 7 7 THR H H 7 8.099 8.202 -0.103 1
1 65 . 12 1 1 A 7 7 THR HA H 7 4.628 5.022 -0.394 1
1 70 . 12 1 1 A 7 7 THR CA C 7 53.988 58.915 -4.927 1
1 71 . 12 1 1 A 7 7 THR CB C 7 69.001 70.269 -1.268 1
1 73 . 12 1 1 A 8 8 PRO HA H 8 3.311 4.072 -0.761 1
1 80 . 12 1 1 A 8 8 PRO CA C 8 63.015 64.229 -1.214 1
1 81 . 12 1 1 A 8 8 PRO CB C 8 31.169 31.819 -0.650 1
1 84 . 12 1 1 A 9 9 ASP H H 9 8.798 8.545 0.253 1
1 85 . 12 1 1 A 9 9 ASP HA H 9 4.249 4.289 -0.040 1
1 88 . 12 1 1 A 9 9 ASP CA C 9 56.899 57.334 -0.435 1
1 89 . 12 1 1 A 9 9 ASP CB C 9 39.412 40.147 -0.735 1
1 90 . 12 1 1 A 10 10 THR H H 10 6.936 7.463 -0.527 1
1 91 . 12 1 1 A 10 10 THR HA H 10 4.405 4.366 0.039 1
1 96 . 12 1 1 A 10 10 THR CA C 10 59.512 61.961 -2.449 1
1 97 . 12 1 1 A 10 10 THR CB C 10 68.463 69.586 -1.123 1
1 99 . 12 1 1 A 11 11 CYS H H 11 7.158 7.514 -0.356 1
1 100 . 12 1 1 A 11 11 CYS HA H 11 4.563 4.651 -0.088 1
1 103 . 12 1 1 A 11 11 CYS CB C 11 40.355 43.971 -3.616 1
1 104 . 12 1 1 A 12 12 ALA H H 12 8.807 8.847 -0.040 1
1 105 . 12 1 1 A 12 12 ALA HA H 12 3.909 4.386 -0.477 1
1 109 . 12 1 1 A 12 12 ALA CA C 12 52.884 52.753 0.131 1
1 110 . 12 1 1 A 12 12 ALA CB C 12 17.564 19.719 -2.155 1
1 111 . 12 1 1 A 13 13 TYR H H 13 7.510 7.812 -0.302 1
1 112 . 12 1 1 A 13 13 TYR HA H 13 4.841 4.747 0.094 1
1 119 . 12 1 1 A 13 13 TYR CB C 13 38.900 40.186 -1.286 1
1 122 . 12 1 1 A 14 14 GLY H H 14 9.002 8.627 0.375 1
1 123 . 12 1 1 A 14 14 GLY HA2 H 14 4.144 4.125 0.019 1
1 124 . 12 1 1 A 14 14 GLY HA3 H 14 3.971 4.338 -0.367 1
1 125 . 12 1 1 A 14 14 GLY CA C 14 46.044 45.654 0.390 1
1 126 . 12 1 1 A 15 15 ASP H H 15 7.322 7.899 -0.577 1
1 127 . 12 1 1 A 15 15 ASP HA H 15 4.789 4.668 0.121 1
1 130 . 12 1 1 A 15 15 ASP CB C 15 43.563 43.014 0.549 1
1 131 . 12 1 1 A 16 16 SER H H 16 8.796 8.505 0.291 1
1 132 . 12 1 1 A 16 16 SER HA H 16 3.006 4.453 -1.447 1
1 135 . 12 1 1 A 16 16 SER CA C 16 61.150 61.822 -0.672 1
1 136 . 12 1 1 A 16 16 SER CB C 16 61.849 62.590 -0.741 1
1 137 . 12 1 1 A 17 17 ASN H H 17 8.281 8.258 0.023 1
1 138 . 12 1 1 A 17 17 ASN HA H 17 4.679 4.657 0.022 1
1 143 . 12 1 1 A 17 17 ASN CA C 17 56.624 56.365 0.259 1
1 144 . 12 1 1 A 17 17 ASN CB C 17 38.066 37.730 0.336 1
1 145 . 12 1 1 A 18 18 THR H H 18 9.130 8.122 1.008 1
1 146 . 12 1 1 A 18 18 THR HA H 18 3.888 4.004 -0.116 1
1 151 . 12 1 1 A 18 18 THR CA C 18 65.897 66.718 -0.821 1
1 152 . 12 1 1 A 18 18 THR CB C 18 67.277 68.787 -1.510 1
1 154 . 12 1 1 A 19 19 ALA H H 19 8.516 8.727 -0.211 1
1 155 . 12 1 1 A 19 19 ALA HA H 19 4.049 3.699 0.350 1
1 159 . 12 1 1 A 19 19 ALA CA C 19 55.280 55.164 0.116 1
1 160 . 12 1 1 A 19 19 ALA CB C 19 19.411 19.026 0.385 1
1 161 . 12 1 1 A 20 20 TRP H H 20 9.036 8.667 0.369 1
1 162 . 12 1 1 A 20 20 TRP HA H 20 4.110 3.937 0.173 1
1 171 . 12 1 1 A 20 20 TRP CA C 20 61.191 61.343 -0.152 1
1 172 . 12 1 1 A 20 20 TRP CB C 20 28.615 29.581 -0.966 1
1 178 . 12 1 1 A 21 21 THR H H 21 8.630 7.973 0.657 1
1 179 . 12 1 1 A 21 21 THR HA H 21 3.650 4.206 -0.556 1
1 184 . 12 1 1 A 21 21 THR CA C 21 66.297 66.260 0.037 1
1 185 . 12 1 1 A 21 21 THR CB C 21 68.329 68.457 -0.128 1
1 187 . 12 1 1 A 22 22 THR H H 22 8.509 8.063 0.446 1
1 188 . 12 1 1 A 22 22 THR HA H 22 3.605 3.727 -0.122 1
1 193 . 12 1 1 A 22 22 THR CA C 22 66.625 66.439 0.186 1
1 194 . 12 1 1 A 22 22 THR CB C 22 67.818 67.671 0.147 1
1 196 . 12 1 1 A 23 23 CYS H H 23 8.357 8.653 -0.296 1
1 197 . 12 1 1 A 23 23 CYS HA H 23 4.332 4.228 0.104 1
1 200 . 12 1 1 A 23 23 CYS CA C 23 57.046 59.090 -2.044 1
1 201 . 12 1 1 A 23 23 CYS CB C 23 40.331 41.858 -1.527 1
1 202 . 12 1 1 A 24 24 THR H H 24 7.178 7.441 -0.263 1
1 203 . 12 1 1 A 24 24 THR HA H 24 4.437 4.357 0.080 1
1 208 . 12 1 1 A 24 24 THR CA C 24 60.381 62.061 -1.680 1
1 209 . 12 1 1 A 24 24 THR CB C 24 70.672 69.877 0.795 1
1 211 . 12 1 1 A 25 25 THR H H 25 7.220 6.903 0.317 1
1 212 . 12 1 1 A 25 25 THR HA H 25 5.154 5.015 0.139 1
1 217 . 12 1 1 A 25 25 THR CA C 25 59.059 58.434 0.625 1
1 218 . 12 1 1 A 25 25 THR CB C 25 69.107 70.177 -1.070 1
1 220 . 12 1 1 A 26 26 PRO HA H 26 4.549 4.521 0.028 1
1 227 . 12 1 1 A 26 26 PRO CA C 26 64.733 63.213 1.520 1
1 228 . 12 1 1 A 26 26 PRO CB C 26 32.055 32.159 -0.104 1
1 231 . 12 1 1 A 27 27 GLY H H 27 9.118 8.022 1.096 1
1 232 . 12 1 1 A 27 27 GLY HA2 H 27 4.555 4.230 0.325 1
1 233 . 12 1 1 A 27 27 GLY HA3 H 27 3.937 4.233 -0.296 1
1 234 . 12 1 1 A 27 27 GLY CA C 27 43.918 45.444 -1.526 1
1 235 . 12 1 1 A 28 28 GLN H H 28 8.971 8.807 0.164 1
1 236 . 12 1 1 A 28 28 GLN HA H 28 4.167 4.208 -0.041 1
1 243 . 12 1 1 A 28 28 GLN CA C 28 58.650 58.010 0.640 1
1 244 . 12 1 1 A 28 28 GLN CB C 28 28.853 28.215 0.638 1
1 246 . 12 1 1 A 29 29 THR H H 29 8.533 7.676 0.857 1
1 247 . 12 1 1 A 29 29 THR HA H 29 4.499 4.620 -0.121 1
1 252 . 12 1 1 A 29 29 THR CA C 29 59.513 59.815 -0.302 1
1 253 . 12 1 1 A 29 29 THR CB C 29 68.879 68.939 -0.060 1
1 255 . 12 1 1 A 30 30 CYS H H 30 7.040 8.477 -1.437 1
1 256 . 12 1 1 A 30 30 CYS HA H 30 3.823 4.640 -0.817 1
1 259 . 12 1 1 A 30 30 CYS CA C 30 59.787 57.817 1.970 1
1 260 . 12 1 1 A 30 30 CYS CB C 30 41.483 28.379 13.104 1
1 261 . 12 1 1 A 31 31 TYR H H 31 9.732 8.751 0.981 1
1 262 . 12 1 1 A 31 31 TYR HA H 31 3.780 3.953 -0.173 1
1 269 . 12 1 1 A 31 31 TYR CA C 31 64.210 61.836 2.374 1
1 270 . 12 1 1 A 31 31 TYR CB C 31 39.118 38.598 0.520 1
1 273 . 12 1 1 A 32 32 THR H H 32 9.792 8.190 1.602 1
1 274 . 12 1 1 A 32 32 THR HA H 32 4.050 3.758 0.292 1
1 279 . 12 1 1 A 32 32 THR CA C 32 66.055 66.655 -0.600 1
1 280 . 12 1 1 A 32 32 THR CB C 32 68.541 68.044 0.497 1
1 282 . 12 1 1 A 33 33 CYS H H 33 8.845 8.696 0.149 1
1 283 . 12 1 1 A 33 33 CYS HA H 33 4.948 4.026 0.922 1
1 286 . 12 1 1 A 33 33 CYS CB C 33 37.503 41.442 -3.939 1
1 287 . 12 1 1 A 34 34 CYS H H 34 8.129 7.962 0.167 1
1 288 . 12 1 1 A 34 34 CYS HA H 34 4.718 3.917 0.801 1
1 291 . 12 1 1 A 34 34 CYS CB C 34 33.988 41.548 -7.560 1
1 292 . 12 1 1 A 35 35 SER H H 35 7.542 7.896 -0.354 1
1 293 . 12 1 1 A 35 35 SER HA H 35 4.404 4.340 0.064 1
1 296 . 12 1 1 A 35 35 SER CA C 35 59.877 60.284 -0.407 1
1 297 . 12 1 1 A 35 35 SER CB C 35 63.139 63.847 -0.708 1
1 298 . 12 1 1 A 36 36 SER H H 36 7.129 7.526 -0.397 1
1 299 . 12 1 1 A 36 36 SER HA H 36 4.692 4.755 -0.063 1
1 302 . 12 1 1 A 36 36 SER CB C 36 62.611 62.689 -0.078 1
1 303 . 12 1 1 A 37 37 CYS H H 37 7.752 8.109 -0.357 1
1 304 . 12 1 1 A 37 37 CYS HA H 37 4.464 4.872 -0.408 1
1 307 . 12 1 1 A 37 37 CYS CA C 37 59.010 57.224 1.786 1
1 308 . 12 1 1 A 37 37 CYS CB C 37 48.093 45.858 2.235 1
1 309 . 12 1 1 A 38 38 PHE H H 38 7.013 8.108 -1.095 1
1 310 . 12 1 1 A 38 38 PHE HA H 38 5.633 5.545 0.088 1
1 317 . 12 1 1 A 38 38 PHE CA C 38 55.379 56.564 -1.185 1
1 318 . 12 1 1 A 38 38 PHE CB C 38 42.836 43.158 -0.322 1
1 322 . 12 1 1 A 39 39 ASP H H 39 8.871 8.752 0.119 1
1 323 . 12 1 1 A 39 39 ASP HA H 39 4.392 4.645 -0.253 1
1 326 . 12 1 1 A 39 39 ASP CA C 39 52.467 54.753 -2.286 1
1 327 . 12 1 1 A 39 39 ASP CB C 39 39.511 41.866 -2.355 1
1 328 . 12 1 1 A 40 40 VAL H H 40 8.003 8.572 -0.569 1
1 329 . 12 1 1 A 40 40 VAL HA H 40 3.985 3.732 0.253 1
1 337 . 12 1 1 A 40 40 VAL CA C 40 65.558 65.326 0.232 1
1 338 . 12 1 1 A 40 40 VAL CB C 40 29.014 31.735 -2.721 1
1 341 . 12 1 1 A 41 41 VAL H H 41 7.493 8.020 -0.527 1
1 342 . 12 1 1 A 41 41 VAL HA H 41 3.528 3.450 0.078 1
1 350 . 12 1 1 A 41 41 VAL CA C 41 65.014 65.998 -0.984 1
1 351 . 12 1 1 A 41 41 VAL CB C 41 31.518 31.204 0.314 1
1 354 . 12 1 1 A 42 42 GLY H H 42 8.730 7.953 0.777 1
1 355 . 12 1 1 A 42 42 GLY HA2 H 42 2.573 3.374 -0.801 1
1 356 . 12 1 1 A 42 42 GLY HA3 H 42 3.224 4.176 -0.952 1
1 357 . 12 1 1 A 42 42 GLY CA C 42 47.496 46.639 0.857 1
1 358 . 12 1 1 A 43 43 GLU H H 43 10.197 8.832 1.365 1
1 359 . 12 1 1 A 43 43 GLU HA H 43 3.776 4.042 -0.266 1
1 364 . 12 1 1 A 43 43 GLU CA C 43 58.892 59.415 -0.523 1
1 365 . 12 1 1 A 43 43 GLU CB C 43 29.300 29.226 0.074 1
1 367 . 12 1 1 A 44 44 GLN H H 44 6.648 7.860 -1.212 1
1 368 . 12 1 1 A 44 44 GLN HA H 44 4.028 3.948 0.080 1
1 375 . 12 1 1 A 44 44 GLN CA C 44 57.875 58.894 -1.019 1
1 376 . 12 1 1 A 44 44 GLN CB C 44 27.790 28.654 -0.864 1
1 378 . 12 1 1 A 45 45 ALA H H 45 7.131 7.994 -0.863 1
1 379 . 12 1 1 A 45 45 ALA HA H 45 4.076 4.025 0.051 1
1 383 . 12 1 1 A 45 45 ALA CA C 45 54.601 54.958 -0.357 1
1 384 . 12 1 1 A 45 45 ALA CB C 45 17.623 18.014 -0.391 1
1 385 . 12 1 1 A 46 46 CYS H H 46 8.934 7.892 1.042 1
1 386 . 12 1 1 A 46 46 CYS HA H 46 3.116 3.312 -0.196 1
1 389 . 12 1 1 A 46 46 CYS CA C 46 58.321 58.431 -0.110 1
1 390 . 12 1 1 A 47 47 GLN H H 47 8.360 8.177 0.183 1
1 391 . 12 1 1 A 47 47 GLN HA H 47 3.352 3.698 -0.346 1
1 398 . 12 1 1 A 47 47 GLN CA C 47 58.364 59.166 -0.802 1
1 399 . 12 1 1 A 47 47 GLN CB C 47 26.924 27.870 -0.946 1
1 401 . 12 1 1 A 48 48 MET H H 48 8.112 8.146 -0.034 1
1 402 . 12 1 1 A 48 48 MET HA H 48 4.379 4.337 0.042 1
1 407 . 12 1 1 A 48 48 MET CA C 48 57.081 56.924 0.157 1
1 408 . 12 1 1 A 48 48 MET CB C 48 31.934 31.916 0.018 1
1 410 . 12 1 1 A 49 49 SER H H 49 7.672 8.104 -0.432 1
1 411 . 12 1 1 A 49 49 SER HA H 49 4.536 4.589 -0.053 1
1 414 . 12 1 1 A 49 49 SER CA C 49 59.206 58.500 0.706 1
1 415 . 12 1 1 A 49 49 SER CB C 49 63.792 64.477 -0.685 1
1 416 . 12 1 1 A 50 50 ALA H H 50 7.602 7.318 0.284 1
1 417 . 12 1 1 A 50 50 ALA HA H 50 4.187 4.267 -0.080 1
1 421 . 12 1 1 A 50 50 ALA CA C 50 52.637 51.324 1.313 1
1 422 . 12 1 1 A 50 50 ALA CB C 50 17.896 19.622 -1.726 1
1 423 . 12 1 1 A 51 51 GLN H H 51 8.004 9.043 -1.039 1
1 424 . 12 1 1 A 51 51 GLN HA H 51 4.584 4.754 -0.170 1
1 431 . 12 1 1 A 51 51 GLN CA C 51 54.256 54.313 -0.057 1
1 432 . 12 1 1 A 51 51 GLN CB C 51 28.525 29.501 -0.976 1
1 8 . 13 1 1 A 2 2 PRO HA H 2 3.996 4.799 -0.803 1
1 15 . 13 1 1 A 2 2 PRO CA C 2 66.442 64.000 2.442 1
1 16 . 13 1 1 A 2 2 PRO CB C 2 30.824 31.473 -0.649 1
1 19 . 13 1 1 A 3 3 GLU H H 3 8.359 7.955 0.404 1
1 20 . 13 1 1 A 3 3 GLU HA H 3 4.085 4.197 -0.112 1
1 25 . 13 1 1 A 3 3 GLU CA C 3 58.481 57.029 1.452 1
1 26 . 13 1 1 A 3 3 GLU CB C 3 28.167 29.602 -1.435 1
1 28 . 13 1 1 A 4 4 ASP H H 4 7.555 7.258 0.297 1
1 29 . 13 1 1 A 4 4 ASP HA H 4 4.379 4.351 0.028 1
1 32 . 13 1 1 A 4 4 ASP CA C 4 55.752 56.291 -0.539 1
1 33 . 13 1 1 A 4 4 ASP CB C 4 40.237 40.793 -0.556 1
1 34 . 13 1 1 A 5 5 TRP H H 5 7.357 7.435 -0.078 1
1 35 . 13 1 1 A 5 5 TRP HA H 5 5.331 4.547 0.784 1
1 44 . 13 1 1 A 5 5 TRP CA C 5 54.949 57.060 -2.111 1
1 45 . 13 1 1 A 5 5 TRP CB C 5 31.983 29.024 2.959 1
1 51 . 13 1 1 A 6 6 PHE H H 6 7.664 7.440 0.224 1
1 52 . 13 1 1 A 6 6 PHE HA H 6 5.144 3.992 1.152 1
1 60 . 13 1 1 A 6 6 PHE CB C 6 39.765 39.455 0.310 1
1 64 . 13 1 1 A 7 7 THR H H 7 8.099 8.190 -0.091 1
1 65 . 13 1 1 A 7 7 THR HA H 7 4.628 4.837 -0.209 1
1 70 . 13 1 1 A 7 7 THR CA C 7 53.988 58.526 -4.538 1
1 71 . 13 1 1 A 7 7 THR CB C 7 69.001 69.277 -0.276 1
1 73 . 13 1 1 A 8 8 PRO HA H 8 3.311 4.127 -0.816 1
1 80 . 13 1 1 A 8 8 PRO CA C 8 63.015 64.121 -1.106 1
1 81 . 13 1 1 A 8 8 PRO CB C 8 31.169 31.675 -0.506 1
1 84 . 13 1 1 A 9 9 ASP H H 9 8.798 8.451 0.347 1
1 85 . 13 1 1 A 9 9 ASP HA H 9 4.249 4.287 -0.038 1
1 88 . 13 1 1 A 9 9 ASP CA C 9 56.899 57.530 -0.631 1
1 89 . 13 1 1 A 9 9 ASP CB C 9 39.412 40.394 -0.982 1
1 90 . 13 1 1 A 10 10 THR H H 10 6.936 7.558 -0.622 1
1 91 . 13 1 1 A 10 10 THR HA H 10 4.405 4.423 -0.018 1
1 96 . 13 1 1 A 10 10 THR CA C 10 59.512 62.989 -3.477 1
1 97 . 13 1 1 A 10 10 THR CB C 10 68.463 70.320 -1.857 1
1 99 . 13 1 1 A 11 11 CYS H H 11 7.158 7.151 0.007 1
1 100 . 13 1 1 A 11 11 CYS HA H 11 4.563 4.685 -0.122 1
1 103 . 13 1 1 A 11 11 CYS CB C 11 40.355 44.466 -4.111 1
1 104 . 13 1 1 A 12 12 ALA H H 12 8.807 8.888 -0.081 1
1 105 . 13 1 1 A 12 12 ALA HA H 12 3.909 4.439 -0.530 1
1 109 . 13 1 1 A 12 12 ALA CA C 12 52.884 52.546 0.338 1
1 110 . 13 1 1 A 12 12 ALA CB C 12 17.564 18.763 -1.199 1
1 111 . 13 1 1 A 13 13 TYR H H 13 7.510 7.800 -0.290 1
1 112 . 13 1 1 A 13 13 TYR HA H 13 4.841 5.275 -0.434 1
1 119 . 13 1 1 A 13 13 TYR CB C 13 38.900 42.800 -3.900 1
1 122 . 13 1 1 A 14 14 GLY H H 14 9.002 8.797 0.205 1
1 123 . 13 1 1 A 14 14 GLY HA2 H 14 4.144 4.068 0.076 1
1 124 . 13 1 1 A 14 14 GLY HA3 H 14 3.971 4.254 -0.283 1
1 125 . 13 1 1 A 14 14 GLY CA C 14 46.044 45.863 0.181 1
1 126 . 13 1 1 A 15 15 ASP H H 15 7.322 7.898 -0.576 1
1 127 . 13 1 1 A 15 15 ASP HA H 15 4.789 4.661 0.128 1
1 130 . 13 1 1 A 15 15 ASP CB C 15 43.563 42.943 0.620 1
1 131 . 13 1 1 A 16 16 SER H H 16 8.796 8.596 0.200 1
1 132 . 13 1 1 A 16 16 SER HA H 16 3.006 4.408 -1.402 1
1 135 . 13 1 1 A 16 16 SER CA C 16 61.150 61.764 -0.614 1
1 136 . 13 1 1 A 16 16 SER CB C 16 61.849 62.263 -0.414 1
1 137 . 13 1 1 A 17 17 ASN H H 17 8.281 8.138 0.143 1
1 138 . 13 1 1 A 17 17 ASN HA H 17 4.679 4.452 0.227 1
1 143 . 13 1 1 A 17 17 ASN CA C 17 56.624 56.601 0.023 1
1 144 . 13 1 1 A 17 17 ASN CB C 17 38.066 38.482 -0.416 1
1 145 . 13 1 1 A 18 18 THR H H 18 9.130 8.270 0.860 1
1 146 . 13 1 1 A 18 18 THR HA H 18 3.888 3.944 -0.056 1
1 151 . 13 1 1 A 18 18 THR CA C 18 65.897 66.618 -0.721 1
1 152 . 13 1 1 A 18 18 THR CB C 18 67.277 68.861 -1.584 1
1 154 . 13 1 1 A 19 19 ALA H H 19 8.516 8.703 -0.187 1
1 155 . 13 1 1 A 19 19 ALA HA H 19 4.049 3.710 0.339 1
1 159 . 13 1 1 A 19 19 ALA CA C 19 55.280 55.240 0.040 1
1 160 . 13 1 1 A 19 19 ALA CB C 19 19.411 18.926 0.485 1
1 161 . 13 1 1 A 20 20 TRP H H 20 9.036 8.433 0.603 1
1 162 . 13 1 1 A 20 20 TRP HA H 20 4.110 3.961 0.149 1
1 171 . 13 1 1 A 20 20 TRP CA C 20 61.191 61.457 -0.266 1
1 172 . 13 1 1 A 20 20 TRP CB C 20 28.615 29.292 -0.677 1
1 178 . 13 1 1 A 21 21 THR H H 21 8.630 8.413 0.217 1
1 179 . 13 1 1 A 21 21 THR HA H 21 3.650 4.041 -0.391 1
1 184 . 13 1 1 A 21 21 THR CA C 21 66.297 66.667 -0.370 1
1 185 . 13 1 1 A 21 21 THR CB C 21 68.329 68.450 -0.121 1
1 187 . 13 1 1 A 22 22 THR H H 22 8.509 8.303 0.206 1
1 188 . 13 1 1 A 22 22 THR HA H 22 3.605 3.703 -0.098 1
1 193 . 13 1 1 A 22 22 THR CA C 22 66.625 66.493 0.132 1
1 194 . 13 1 1 A 22 22 THR CB C 22 67.818 67.879 -0.061 1
1 196 . 13 1 1 A 23 23 CYS H H 23 8.357 8.073 0.284 1
1 197 . 13 1 1 A 23 23 CYS HA H 23 4.332 4.349 -0.017 1
1 200 . 13 1 1 A 23 23 CYS CA C 23 57.046 59.123 -2.077 1
1 201 . 13 1 1 A 23 23 CYS CB C 23 40.331 41.914 -1.583 1
1 202 . 13 1 1 A 24 24 THR H H 24 7.178 7.242 -0.064 1
1 203 . 13 1 1 A 24 24 THR HA H 24 4.437 4.394 0.043 1
1 208 . 13 1 1 A 24 24 THR CA C 24 60.381 61.728 -1.347 1
1 209 . 13 1 1 A 24 24 THR CB C 24 70.672 69.823 0.849 1
1 211 . 13 1 1 A 25 25 THR H H 25 7.220 6.935 0.285 1
1 212 . 13 1 1 A 25 25 THR HA H 25 5.154 5.068 0.086 1
1 217 . 13 1 1 A 25 25 THR CA C 25 59.059 58.566 0.493 1
1 218 . 13 1 1 A 25 25 THR CB C 25 69.107 70.394 -1.287 1
1 220 . 13 1 1 A 26 26 PRO HA H 26 4.549 4.618 -0.069 1
1 227 . 13 1 1 A 26 26 PRO CA C 26 64.733 63.204 1.529 1
1 228 . 13 1 1 A 26 26 PRO CB C 26 32.055 31.872 0.183 1
1 231 . 13 1 1 A 27 27 GLY H H 27 9.118 8.022 1.096 1
1 232 . 13 1 1 A 27 27 GLY HA2 H 27 4.555 4.178 0.377 1
1 233 . 13 1 1 A 27 27 GLY HA3 H 27 3.937 4.181 -0.244 1
1 234 . 13 1 1 A 27 27 GLY CA C 27 43.918 45.536 -1.618 1
1 235 . 13 1 1 A 28 28 GLN H H 28 8.971 8.793 0.178 1
1 236 . 13 1 1 A 28 28 GLN HA H 28 4.167 4.195 -0.028 1
1 243 . 13 1 1 A 28 28 GLN CA C 28 58.650 57.861 0.789 1
1 244 . 13 1 1 A 28 28 GLN CB C 28 28.853 28.264 0.589 1
1 246 . 13 1 1 A 29 29 THR H H 29 8.533 7.725 0.808 1
1 247 . 13 1 1 A 29 29 THR HA H 29 4.499 4.651 -0.152 1
1 252 . 13 1 1 A 29 29 THR CA C 29 59.513 59.885 -0.372 1
1 253 . 13 1 1 A 29 29 THR CB C 29 68.879 68.725 0.154 1
1 255 . 13 1 1 A 30 30 CYS H H 30 7.040 8.331 -1.291 1
1 256 . 13 1 1 A 30 30 CYS HA H 30 3.823 4.577 -0.754 1
1 259 . 13 1 1 A 30 30 CYS CA C 30 59.787 57.806 1.981 1
1 260 . 13 1 1 A 30 30 CYS CB C 30 41.483 29.308 12.175 1
1 261 . 13 1 1 A 31 31 TYR H H 31 9.732 8.934 0.798 1
1 262 . 13 1 1 A 31 31 TYR HA H 31 3.780 3.999 -0.219 1
1 269 . 13 1 1 A 31 31 TYR CA C 31 64.210 61.863 2.347 1
1 270 . 13 1 1 A 31 31 TYR CB C 31 39.118 38.669 0.449 1
1 273 . 13 1 1 A 32 32 THR H H 32 9.792 8.212 1.580 1
1 274 . 13 1 1 A 32 32 THR HA H 32 4.050 3.844 0.206 1
1 279 . 13 1 1 A 32 32 THR CA C 32 66.055 66.616 -0.561 1
1 280 . 13 1 1 A 32 32 THR CB C 32 68.541 68.043 0.498 1
1 282 . 13 1 1 A 33 33 CYS H H 33 8.845 8.690 0.155 1
1 283 . 13 1 1 A 33 33 CYS HA H 33 4.948 4.187 0.761 1
1 286 . 13 1 1 A 33 33 CYS CB C 33 37.503 41.535 -4.032 1
1 287 . 13 1 1 A 34 34 CYS H H 34 8.129 8.192 -0.063 1
1 288 . 13 1 1 A 34 34 CYS HA H 34 4.718 4.013 0.705 1
1 291 . 13 1 1 A 34 34 CYS CB C 34 33.988 41.338 -7.350 1
1 292 . 13 1 1 A 35 35 SER H H 35 7.542 8.163 -0.621 1
1 293 . 13 1 1 A 35 35 SER HA H 35 4.404 4.154 0.250 1
1 296 . 13 1 1 A 35 35 SER CA C 35 59.877 61.425 -1.548 1
1 297 . 13 1 1 A 35 35 SER CB C 35 63.139 63.159 -0.020 1
1 298 . 13 1 1 A 36 36 SER H H 36 7.129 7.755 -0.626 1
1 299 . 13 1 1 A 36 36 SER HA H 36 4.692 4.255 0.437 1
1 302 . 13 1 1 A 36 36 SER CB C 36 62.611 62.104 0.507 1
1 303 . 13 1 1 A 37 37 CYS H H 37 7.752 8.066 -0.314 1
1 304 . 13 1 1 A 37 37 CYS HA H 37 4.464 4.850 -0.386 1
1 307 . 13 1 1 A 37 37 CYS CA C 37 59.010 57.348 1.662 1
1 308 . 13 1 1 A 37 37 CYS CB C 37 48.093 45.557 2.536 1
1 309 . 13 1 1 A 38 38 PHE H H 38 7.013 8.256 -1.243 1
1 310 . 13 1 1 A 38 38 PHE HA H 38 5.633 5.053 0.580 1
1 317 . 13 1 1 A 38 38 PHE CA C 38 55.379 57.565 -2.186 1
1 318 . 13 1 1 A 38 38 PHE CB C 38 42.836 41.779 1.057 1
1 322 . 13 1 1 A 39 39 ASP H H 39 8.871 8.547 0.324 1
1 323 . 13 1 1 A 39 39 ASP HA H 39 4.392 4.638 -0.246 1
1 326 . 13 1 1 A 39 39 ASP CA C 39 52.467 54.487 -2.020 1
1 327 . 13 1 1 A 39 39 ASP CB C 39 39.511 42.098 -2.587 1
1 328 . 13 1 1 A 40 40 VAL H H 40 8.003 8.494 -0.491 1
1 329 . 13 1 1 A 40 40 VAL HA H 40 3.985 3.779 0.206 1
1 337 . 13 1 1 A 40 40 VAL CA C 40 65.558 65.330 0.228 1
1 338 . 13 1 1 A 40 40 VAL CB C 40 29.014 31.539 -2.525 1
1 341 . 13 1 1 A 41 41 VAL H H 41 7.493 7.950 -0.457 1
1 342 . 13 1 1 A 41 41 VAL HA H 41 3.528 3.473 0.055 1
1 350 . 13 1 1 A 41 41 VAL CA C 41 65.014 66.084 -1.070 1
1 351 . 13 1 1 A 41 41 VAL CB C 41 31.518 31.360 0.158 1
1 354 . 13 1 1 A 42 42 GLY H H 42 8.730 7.772 0.958 1
1 355 . 13 1 1 A 42 42 GLY HA2 H 42 2.573 2.991 -0.418 1
1 356 . 13 1 1 A 42 42 GLY HA3 H 42 3.224 3.967 -0.743 1
1 357 . 13 1 1 A 42 42 GLY CA C 42 47.496 47.021 0.475 1
1 358 . 13 1 1 A 43 43 GLU H H 43 10.197 8.774 1.423 1
1 359 . 13 1 1 A 43 43 GLU HA H 43 3.776 3.915 -0.139 1
1 364 . 13 1 1 A 43 43 GLU CA C 43 58.892 59.650 -0.758 1
1 365 . 13 1 1 A 43 43 GLU CB C 43 29.300 29.579 -0.279 1
1 367 . 13 1 1 A 44 44 GLN H H 44 6.648 7.612 -0.964 1
1 368 . 13 1 1 A 44 44 GLN HA H 44 4.028 4.022 0.006 1
1 375 . 13 1 1 A 44 44 GLN CA C 44 57.875 57.794 0.081 1
1 376 . 13 1 1 A 44 44 GLN CB C 44 27.790 28.537 -0.747 1
1 378 . 13 1 1 A 45 45 ALA H H 45 7.131 7.593 -0.462 1
1 379 . 13 1 1 A 45 45 ALA HA H 45 4.076 4.123 -0.047 1
1 383 . 13 1 1 A 45 45 ALA CA C 45 54.601 55.028 -0.427 1
1 384 . 13 1 1 A 45 45 ALA CB C 45 17.623 18.913 -1.290 1
1 385 . 13 1 1 A 46 46 CYS H H 46 8.934 8.402 0.532 1
1 386 . 13 1 1 A 46 46 CYS HA H 46 3.116 3.131 -0.015 1
1 389 . 13 1 1 A 46 46 CYS CA C 46 58.321 59.168 -0.847 1
1 390 . 13 1 1 A 47 47 GLN H H 47 8.360 8.390 -0.030 1
1 391 . 13 1 1 A 47 47 GLN HA H 47 3.352 3.734 -0.382 1
1 398 . 13 1 1 A 47 47 GLN CA C 47 58.364 58.238 0.126 1
1 399 . 13 1 1 A 47 47 GLN CB C 47 26.924 27.914 -0.990 1
1 401 . 13 1 1 A 48 48 MET H H 48 8.112 7.560 0.552 1
1 402 . 13 1 1 A 48 48 MET HA H 48 4.379 4.470 -0.091 1
1 407 . 13 1 1 A 48 48 MET CA C 48 57.081 56.508 0.573 1
1 408 . 13 1 1 A 48 48 MET CB C 48 31.934 33.033 -1.099 1
1 410 . 13 1 1 A 49 49 SER H H 49 7.672 7.930 -0.258 1
1 411 . 13 1 1 A 49 49 SER HA H 49 4.536 4.609 -0.073 1
1 414 . 13 1 1 A 49 49 SER CA C 49 59.206 58.500 0.706 1
1 415 . 13 1 1 A 49 49 SER CB C 49 63.792 64.225 -0.433 1
1 416 . 13 1 1 A 50 50 ALA H H 50 7.602 6.946 0.656 1
1 417 . 13 1 1 A 50 50 ALA HA H 50 4.187 4.374 -0.187 1
1 421 . 13 1 1 A 50 50 ALA CA C 50 52.637 51.169 1.468 1
1 422 . 13 1 1 A 50 50 ALA CB C 50 17.896 19.494 -1.598 1
1 423 . 13 1 1 A 51 51 GLN H H 51 8.004 8.767 -0.763 1
1 424 . 13 1 1 A 51 51 GLN HA H 51 4.584 4.964 -0.380 1
1 431 . 13 1 1 A 51 51 GLN CA C 51 54.256 54.659 -0.403 1
1 432 . 13 1 1 A 51 51 GLN CB C 51 28.525 29.326 -0.801 1
1 8 . 14 1 1 A 2 2 PRO HA H 2 3.996 4.401 -0.405 1
1 15 . 14 1 1 A 2 2 PRO CA C 2 66.442 63.959 2.483 1
1 16 . 14 1 1 A 2 2 PRO CB C 2 30.824 31.471 -0.647 1
1 19 . 14 1 1 A 3 3 GLU H H 3 8.359 7.913 0.446 1
1 20 . 14 1 1 A 3 3 GLU HA H 3 4.085 4.174 -0.089 1
1 25 . 14 1 1 A 3 3 GLU CA C 3 58.481 58.427 0.054 1
1 26 . 14 1 1 A 3 3 GLU CB C 3 28.167 29.435 -1.268 1
1 28 . 14 1 1 A 4 4 ASP H H 4 7.555 7.585 -0.030 1
1 29 . 14 1 1 A 4 4 ASP HA H 4 4.379 4.302 0.077 1
1 32 . 14 1 1 A 4 4 ASP CA C 4 55.752 56.074 -0.322 1
1 33 . 14 1 1 A 4 4 ASP CB C 4 40.237 40.162 0.075 1
1 34 . 14 1 1 A 5 5 TRP H H 5 7.357 8.003 -0.646 1
1 35 . 14 1 1 A 5 5 TRP HA H 5 5.331 5.165 0.166 1
1 44 . 14 1 1 A 5 5 TRP CA C 5 54.949 57.110 -2.161 1
1 45 . 14 1 1 A 5 5 TRP CB C 5 31.983 30.586 1.397 1
1 51 . 14 1 1 A 6 6 PHE H H 6 7.664 7.937 -0.273 1
1 52 . 14 1 1 A 6 6 PHE HA H 6 5.144 4.508 0.636 1
1 60 . 14 1 1 A 6 6 PHE CB C 6 39.765 39.447 0.318 1
1 64 . 14 1 1 A 7 7 THR H H 7 8.099 7.822 0.277 1
1 65 . 14 1 1 A 7 7 THR HA H 7 4.628 4.711 -0.083 1
1 70 . 14 1 1 A 7 7 THR CA C 7 53.988 58.622 -4.634 1
1 71 . 14 1 1 A 7 7 THR CB C 7 69.001 68.981 0.020 1
1 73 . 14 1 1 A 8 8 PRO HA H 8 3.311 4.073 -0.762 1
1 80 . 14 1 1 A 8 8 PRO CA C 8 63.015 64.096 -1.081 1
1 81 . 14 1 1 A 8 8 PRO CB C 8 31.169 31.579 -0.410 1
1 84 . 14 1 1 A 9 9 ASP H H 9 8.798 8.334 0.464 1
1 85 . 14 1 1 A 9 9 ASP HA H 9 4.249 4.264 -0.015 1
1 88 . 14 1 1 A 9 9 ASP CA C 9 56.899 56.990 -0.091 1
1 89 . 14 1 1 A 9 9 ASP CB C 9 39.412 40.751 -1.339 1
1 90 . 14 1 1 A 10 10 THR H H 10 6.936 7.367 -0.431 1
1 91 . 14 1 1 A 10 10 THR HA H 10 4.405 4.344 0.061 1
1 96 . 14 1 1 A 10 10 THR CA C 10 59.512 62.501 -2.989 1
1 97 . 14 1 1 A 10 10 THR CB C 10 68.463 69.993 -1.530 1
1 99 . 14 1 1 A 11 11 CYS H H 11 7.158 7.253 -0.095 1
1 100 . 14 1 1 A 11 11 CYS HA H 11 4.563 4.643 -0.080 1
1 103 . 14 1 1 A 11 11 CYS CB C 11 40.355 44.391 -4.036 1
1 104 . 14 1 1 A 12 12 ALA H H 12 8.807 8.764 0.043 1
1 105 . 14 1 1 A 12 12 ALA HA H 12 3.909 4.370 -0.461 1
1 109 . 14 1 1 A 12 12 ALA CA C 12 52.884 52.019 0.865 1
1 110 . 14 1 1 A 12 12 ALA CB C 12 17.564 18.830 -1.266 1
1 111 . 14 1 1 A 13 13 TYR H H 13 7.510 7.698 -0.188 1
1 112 . 14 1 1 A 13 13 TYR HA H 13 4.841 5.200 -0.359 1
1 119 . 14 1 1 A 13 13 TYR CB C 13 38.900 43.246 -4.346 1
1 122 . 14 1 1 A 14 14 GLY H H 14 9.002 8.818 0.184 1
1 123 . 14 1 1 A 14 14 GLY HA2 H 14 4.144 4.097 0.047 1
1 124 . 14 1 1 A 14 14 GLY HA3 H 14 3.971 4.243 -0.272 1
1 125 . 14 1 1 A 14 14 GLY CA C 14 46.044 45.483 0.561 1
1 126 . 14 1 1 A 15 15 ASP H H 15 7.322 7.731 -0.409 1
1 127 . 14 1 1 A 15 15 ASP HA H 15 4.789 4.827 -0.038 1
1 130 . 14 1 1 A 15 15 ASP CB C 15 43.563 43.326 0.237 1
1 131 . 14 1 1 A 16 16 SER H H 16 8.796 8.704 0.092 1
1 132 . 14 1 1 A 16 16 SER HA H 16 3.006 4.370 -1.364 1
1 135 . 14 1 1 A 16 16 SER CA C 16 61.150 61.924 -0.774 1
1 136 . 14 1 1 A 16 16 SER CB C 16 61.849 62.414 -0.565 1
1 137 . 14 1 1 A 17 17 ASN H H 17 8.281 8.100 0.181 1
1 138 . 14 1 1 A 17 17 ASN HA H 17 4.679 4.427 0.252 1
1 143 . 14 1 1 A 17 17 ASN CA C 17 56.624 56.435 0.189 1
1 144 . 14 1 1 A 17 17 ASN CB C 17 38.066 38.505 -0.439 1
1 145 . 14 1 1 A 18 18 THR H H 18 9.130 8.247 0.883 1
1 146 . 14 1 1 A 18 18 THR HA H 18 3.888 3.851 0.037 1
1 151 . 14 1 1 A 18 18 THR CA C 18 65.897 66.547 -0.650 1
1 152 . 14 1 1 A 18 18 THR CB C 18 67.277 68.806 -1.529 1
1 154 . 14 1 1 A 19 19 ALA H H 19 8.516 8.616 -0.100 1
1 155 . 14 1 1 A 19 19 ALA HA H 19 4.049 3.907 0.142 1
1 159 . 14 1 1 A 19 19 ALA CA C 19 55.280 55.386 -0.106 1
1 160 . 14 1 1 A 19 19 ALA CB C 19 19.411 18.849 0.562 1
1 161 . 14 1 1 A 20 20 TRP H H 20 9.036 8.645 0.391 1
1 162 . 14 1 1 A 20 20 TRP HA H 20 4.110 4.444 -0.334 1
1 171 . 14 1 1 A 20 20 TRP CA C 20 61.191 61.831 -0.640 1
1 172 . 14 1 1 A 20 20 TRP CB C 20 28.615 29.565 -0.950 1
1 178 . 14 1 1 A 21 21 THR H H 21 8.630 8.472 0.158 1
1 179 . 14 1 1 A 21 21 THR HA H 21 3.650 4.169 -0.519 1
1 184 . 14 1 1 A 21 21 THR CA C 21 66.297 66.706 -0.409 1
1 185 . 14 1 1 A 21 21 THR CB C 21 68.329 68.312 0.017 1
1 187 . 14 1 1 A 22 22 THR H H 22 8.509 8.331 0.178 1
1 188 . 14 1 1 A 22 22 THR HA H 22 3.605 3.755 -0.150 1
1 193 . 14 1 1 A 22 22 THR CA C 22 66.625 66.836 -0.211 1
1 194 . 14 1 1 A 22 22 THR CB C 22 67.818 67.690 0.128 1
1 196 . 14 1 1 A 23 23 CYS H H 23 8.357 8.521 -0.164 1
1 197 . 14 1 1 A 23 23 CYS HA H 23 4.332 4.551 -0.219 1
1 200 . 14 1 1 A 23 23 CYS CA C 23 57.046 59.392 -2.346 1
1 201 . 14 1 1 A 23 23 CYS CB C 23 40.331 42.078 -1.747 1
1 202 . 14 1 1 A 24 24 THR H H 24 7.178 7.502 -0.324 1
1 203 . 14 1 1 A 24 24 THR HA H 24 4.437 4.351 0.086 1
1 208 . 14 1 1 A 24 24 THR CA C 24 60.381 62.335 -1.954 1
1 209 . 14 1 1 A 24 24 THR CB C 24 70.672 69.779 0.893 1
1 211 . 14 1 1 A 25 25 THR H H 25 7.220 6.931 0.289 1
1 212 . 14 1 1 A 25 25 THR HA H 25 5.154 5.001 0.153 1
1 217 . 14 1 1 A 25 25 THR CA C 25 59.059 58.526 0.533 1
1 218 . 14 1 1 A 25 25 THR CB C 25 69.107 70.028 -0.921 1
1 220 . 14 1 1 A 26 26 PRO HA H 26 4.549 4.716 -0.167 1
1 227 . 14 1 1 A 26 26 PRO CA C 26 64.733 62.975 1.758 1
1 228 . 14 1 1 A 26 26 PRO CB C 26 32.055 31.692 0.363 1
1 231 . 14 1 1 A 27 27 GLY H H 27 9.118 8.015 1.103 1
1 232 . 14 1 1 A 27 27 GLY HA2 H 27 4.555 4.266 0.289 1
1 233 . 14 1 1 A 27 27 GLY HA3 H 27 3.937 4.273 -0.336 1
1 234 . 14 1 1 A 27 27 GLY CA C 27 43.918 45.635 -1.717 1
1 235 . 14 1 1 A 28 28 GLN H H 28 8.971 8.909 0.062 1
1 236 . 14 1 1 A 28 28 GLN HA H 28 4.167 4.184 -0.017 1
1 243 . 14 1 1 A 28 28 GLN CA C 28 58.650 58.507 0.143 1
1 244 . 14 1 1 A 28 28 GLN CB C 28 28.853 28.171 0.682 1
1 246 . 14 1 1 A 29 29 THR H H 29 8.533 7.812 0.721 1
1 247 . 14 1 1 A 29 29 THR HA H 29 4.499 4.698 -0.199 1
1 252 . 14 1 1 A 29 29 THR CA C 29 59.513 59.803 -0.290 1
1 253 . 14 1 1 A 29 29 THR CB C 29 68.879 68.757 0.122 1
1 255 . 14 1 1 A 30 30 CYS H H 30 7.040 8.419 -1.379 1
1 256 . 14 1 1 A 30 30 CYS HA H 30 3.823 4.571 -0.748 1
1 259 . 14 1 1 A 30 30 CYS CA C 30 59.787 57.821 1.966 1
1 260 . 14 1 1 A 30 30 CYS CB C 30 41.483 29.391 12.092 1
1 261 . 14 1 1 A 31 31 TYR H H 31 9.732 8.988 0.744 1
1 262 . 14 1 1 A 31 31 TYR HA H 31 3.780 4.089 -0.309 1
1 269 . 14 1 1 A 31 31 TYR CA C 31 64.210 61.864 2.346 1
1 270 . 14 1 1 A 31 31 TYR CB C 31 39.118 38.788 0.330 1
1 273 . 14 1 1 A 32 32 THR H H 32 9.792 8.304 1.488 1
1 274 . 14 1 1 A 32 32 THR HA H 32 4.050 3.937 0.113 1
1 279 . 14 1 1 A 32 32 THR CA C 32 66.055 66.688 -0.633 1
1 280 . 14 1 1 A 32 32 THR CB C 32 68.541 68.359 0.182 1
1 282 . 14 1 1 A 33 33 CYS H H 33 8.845 8.858 -0.013 1
1 283 . 14 1 1 A 33 33 CYS HA H 33 4.948 4.051 0.897 1
1 286 . 14 1 1 A 33 33 CYS CB C 33 37.503 41.722 -4.219 1
1 287 . 14 1 1 A 34 34 CYS H H 34 8.129 7.942 0.187 1
1 288 . 14 1 1 A 34 34 CYS HA H 34 4.718 4.318 0.400 1
1 291 . 14 1 1 A 34 34 CYS CB C 34 33.988 41.469 -7.481 1
1 292 . 14 1 1 A 35 35 SER H H 35 7.542 8.202 -0.660 1
1 293 . 14 1 1 A 35 35 SER HA H 35 4.404 4.180 0.224 1
1 296 . 14 1 1 A 35 35 SER CA C 35 59.877 61.444 -1.567 1
1 297 . 14 1 1 A 35 35 SER CB C 35 63.139 62.706 0.433 1
1 298 . 14 1 1 A 36 36 SER H H 36 7.129 7.911 -0.782 1
1 299 . 14 1 1 A 36 36 SER HA H 36 4.692 4.307 0.385 1
1 302 . 14 1 1 A 36 36 SER CB C 36 62.611 62.721 -0.110 1
1 303 . 14 1 1 A 37 37 CYS H H 37 7.752 7.900 -0.148 1
1 304 . 14 1 1 A 37 37 CYS HA H 37 4.464 4.560 -0.096 1
1 307 . 14 1 1 A 37 37 CYS CA C 37 59.010 56.512 2.498 1
1 308 . 14 1 1 A 37 37 CYS CB C 37 48.093 44.998 3.095 1
1 309 . 14 1 1 A 38 38 PHE H H 38 7.013 7.604 -0.591 1
1 310 . 14 1 1 A 38 38 PHE HA H 38 5.633 5.517 0.116 1
1 317 . 14 1 1 A 38 38 PHE CA C 38 55.379 56.986 -1.607 1
1 318 . 14 1 1 A 38 38 PHE CB C 38 42.836 43.484 -0.648 1
1 322 . 14 1 1 A 39 39 ASP H H 39 8.871 8.607 0.264 1
1 323 . 14 1 1 A 39 39 ASP HA H 39 4.392 4.697 -0.305 1
1 326 . 14 1 1 A 39 39 ASP CA C 39 52.467 54.544 -2.077 1
1 327 . 14 1 1 A 39 39 ASP CB C 39 39.511 42.107 -2.596 1
1 328 . 14 1 1 A 40 40 VAL H H 40 8.003 8.515 -0.512 1
1 329 . 14 1 1 A 40 40 VAL HA H 40 3.985 3.722 0.263 1
1 337 . 14 1 1 A 40 40 VAL CA C 40 65.558 65.404 0.154 1
1 338 . 14 1 1 A 40 40 VAL CB C 40 29.014 31.705 -2.691 1
1 341 . 14 1 1 A 41 41 VAL H H 41 7.493 7.925 -0.432 1
1 342 . 14 1 1 A 41 41 VAL HA H 41 3.528 3.417 0.111 1
1 350 . 14 1 1 A 41 41 VAL CA C 41 65.014 65.897 -0.883 1
1 351 . 14 1 1 A 41 41 VAL CB C 41 31.518 31.189 0.329 1
1 354 . 14 1 1 A 42 42 GLY H H 42 8.730 7.932 0.798 1
1 355 . 14 1 1 A 42 42 GLY HA2 H 42 2.573 2.871 -0.298 1
1 356 . 14 1 1 A 42 42 GLY HA3 H 42 3.224 3.780 -0.556 1
1 357 . 14 1 1 A 42 42 GLY CA C 42 47.496 46.135 1.361 1
1 358 . 14 1 1 A 43 43 GLU H H 43 10.197 8.642 1.555 1
1 359 . 14 1 1 A 43 43 GLU HA H 43 3.776 3.941 -0.165 1
1 364 . 14 1 1 A 43 43 GLU CA C 43 58.892 59.405 -0.513 1
1 365 . 14 1 1 A 43 43 GLU CB C 43 29.300 29.411 -0.111 1
1 367 . 14 1 1 A 44 44 GLN H H 44 6.648 7.758 -1.110 1
1 368 . 14 1 1 A 44 44 GLN HA H 44 4.028 3.909 0.119 1
1 375 . 14 1 1 A 44 44 GLN CA C 44 57.875 58.280 -0.405 1
1 376 . 14 1 1 A 44 44 GLN CB C 44 27.790 28.733 -0.943 1
1 378 . 14 1 1 A 45 45 ALA H H 45 7.131 7.746 -0.615 1
1 379 . 14 1 1 A 45 45 ALA HA H 45 4.076 3.980 0.096 1
1 383 . 14 1 1 A 45 45 ALA CA C 45 54.601 55.088 -0.487 1
1 384 . 14 1 1 A 45 45 ALA CB C 45 17.623 17.575 0.048 1
1 385 . 14 1 1 A 46 46 CYS H H 46 8.934 7.996 0.938 1
1 386 . 14 1 1 A 46 46 CYS HA H 46 3.116 3.198 -0.082 1
1 389 . 14 1 1 A 46 46 CYS CA C 46 58.321 58.669 -0.348 1
1 390 . 14 1 1 A 47 47 GLN H H 47 8.360 8.213 0.147 1
1 391 . 14 1 1 A 47 47 GLN HA H 47 3.352 3.579 -0.227 1
1 398 . 14 1 1 A 47 47 GLN CA C 47 58.364 58.817 -0.453 1
1 399 . 14 1 1 A 47 47 GLN CB C 47 26.924 27.732 -0.808 1
1 401 . 14 1 1 A 48 48 MET H H 48 8.112 8.580 -0.468 1
1 402 . 14 1 1 A 48 48 MET HA H 48 4.379 4.342 0.037 1
1 407 . 14 1 1 A 48 48 MET CA C 48 57.081 56.828 0.253 1
1 408 . 14 1 1 A 48 48 MET CB C 48 31.934 31.603 0.331 1
1 410 . 14 1 1 A 49 49 SER H H 49 7.672 8.058 -0.386 1
1 411 . 14 1 1 A 49 49 SER HA H 49 4.536 4.649 -0.113 1
1 414 . 14 1 1 A 49 49 SER CA C 49 59.206 58.627 0.579 1
1 415 . 14 1 1 A 49 49 SER CB C 49 63.792 64.746 -0.954 1
1 416 . 14 1 1 A 50 50 ALA H H 50 7.602 7.132 0.470 1
1 417 . 14 1 1 A 50 50 ALA HA H 50 4.187 4.480 -0.293 1
1 421 . 14 1 1 A 50 50 ALA CA C 50 52.637 50.966 1.671 1
1 422 . 14 1 1 A 50 50 ALA CB C 50 17.896 20.176 -2.280 1
1 423 . 14 1 1 A 51 51 GLN H H 51 8.004 9.103 -1.099 1
1 424 . 14 1 1 A 51 51 GLN HA H 51 4.584 4.857 -0.273 1
1 431 . 14 1 1 A 51 51 GLN CA C 51 54.256 54.675 -0.419 1
1 432 . 14 1 1 A 51 51 GLN CB C 51 28.525 29.434 -0.909 1
1 8 . 15 1 1 A 2 2 PRO HA H 2 3.996 4.443 -0.447 1
1 15 . 15 1 1 A 2 2 PRO CA C 2 66.442 64.319 2.123 1
1 16 . 15 1 1 A 2 2 PRO CB C 2 30.824 31.564 -0.740 1
1 19 . 15 1 1 A 3 3 GLU H H 3 8.359 8.207 0.152 1
1 20 . 15 1 1 A 3 3 GLU HA H 3 4.085 4.257 -0.172 1
1 25 . 15 1 1 A 3 3 GLU CA C 3 58.481 58.863 -0.382 1
1 26 . 15 1 1 A 3 3 GLU CB C 3 28.167 29.258 -1.091 1
1 28 . 15 1 1 A 4 4 ASP H H 4 7.555 7.814 -0.259 1
1 29 . 15 1 1 A 4 4 ASP HA H 4 4.379 4.436 -0.057 1
1 32 . 15 1 1 A 4 4 ASP CA C 4 55.752 56.361 -0.609 1
1 33 . 15 1 1 A 4 4 ASP CB C 4 40.237 40.418 -0.181 1
1 34 . 15 1 1 A 5 5 TRP H H 5 7.357 7.957 -0.600 1
1 35 . 15 1 1 A 5 5 TRP HA H 5 5.331 5.104 0.227 1
1 44 . 15 1 1 A 5 5 TRP CA C 5 54.949 56.905 -1.956 1
1 45 . 15 1 1 A 5 5 TRP CB C 5 31.983 29.485 2.498 1
1 51 . 15 1 1 A 6 6 PHE H H 6 7.664 7.883 -0.219 1
1 52 . 15 1 1 A 6 6 PHE HA H 6 5.144 4.715 0.429 1
1 60 . 15 1 1 A 6 6 PHE CB C 6 39.765 38.981 0.784 1
1 64 . 15 1 1 A 7 7 THR H H 7 8.099 7.455 0.644 1
1 65 . 15 1 1 A 7 7 THR HA H 7 4.628 4.802 -0.174 1
1 70 . 15 1 1 A 7 7 THR CA C 7 53.988 58.667 -4.679 1
1 71 . 15 1 1 A 7 7 THR CB C 7 69.001 68.958 0.043 1
1 73 . 15 1 1 A 8 8 PRO HA H 8 3.311 4.105 -0.794 1
1 80 . 15 1 1 A 8 8 PRO CA C 8 63.015 64.195 -1.180 1
1 81 . 15 1 1 A 8 8 PRO CB C 8 31.169 31.715 -0.546 1
1 84 . 15 1 1 A 9 9 ASP H H 9 8.798 8.531 0.267 1
1 85 . 15 1 1 A 9 9 ASP HA H 9 4.249 4.261 -0.012 1
1 88 . 15 1 1 A 9 9 ASP CA C 9 56.899 57.491 -0.592 1
1 89 . 15 1 1 A 9 9 ASP CB C 9 39.412 40.288 -0.876 1
1 90 . 15 1 1 A 10 10 THR H H 10 6.936 7.357 -0.421 1
1 91 . 15 1 1 A 10 10 THR HA H 10 4.405 4.276 0.129 1
1 96 . 15 1 1 A 10 10 THR CA C 10 59.512 63.502 -3.990 1
1 97 . 15 1 1 A 10 10 THR CB C 10 68.463 69.598 -1.135 1
1 99 . 15 1 1 A 11 11 CYS H H 11 7.158 6.978 0.180 1
1 100 . 15 1 1 A 11 11 CYS HA H 11 4.563 4.566 -0.003 1
1 103 . 15 1 1 A 11 11 CYS CB C 11 40.355 44.039 -3.684 1
1 104 . 15 1 1 A 12 12 ALA H H 12 8.807 8.636 0.171 1
1 105 . 15 1 1 A 12 12 ALA HA H 12 3.909 4.264 -0.355 1
1 109 . 15 1 1 A 12 12 ALA CA C 12 52.884 52.193 0.691 1
1 110 . 15 1 1 A 12 12 ALA CB C 12 17.564 19.353 -1.789 1
1 111 . 15 1 1 A 13 13 TYR H H 13 7.510 7.745 -0.235 1
1 112 . 15 1 1 A 13 13 TYR HA H 13 4.841 5.203 -0.362 1
1 119 . 15 1 1 A 13 13 TYR CB C 13 38.900 42.920 -4.020 1
1 122 . 15 1 1 A 14 14 GLY H H 14 9.002 8.707 0.295 1
1 123 . 15 1 1 A 14 14 GLY HA2 H 14 4.144 4.135 0.009 1
1 124 . 15 1 1 A 14 14 GLY HA3 H 14 3.971 4.296 -0.325 1
1 125 . 15 1 1 A 14 14 GLY CA C 14 46.044 45.594 0.450 1
1 126 . 15 1 1 A 15 15 ASP H H 15 7.322 7.782 -0.460 1
1 127 . 15 1 1 A 15 15 ASP HA H 15 4.789 4.728 0.061 1
1 130 . 15 1 1 A 15 15 ASP CB C 15 43.563 42.590 0.973 1
1 131 . 15 1 1 A 16 16 SER H H 16 8.796 8.833 -0.037 1
1 132 . 15 1 1 A 16 16 SER HA H 16 3.006 4.543 -1.537 1
1 135 . 15 1 1 A 16 16 SER CA C 16 61.150 61.522 -0.372 1
1 136 . 15 1 1 A 16 16 SER CB C 16 61.849 62.874 -1.025 1
1 137 . 15 1 1 A 17 17 ASN H H 17 8.281 8.191 0.090 1
1 138 . 15 1 1 A 17 17 ASN HA H 17 4.679 4.482 0.197 1
1 143 . 15 1 1 A 17 17 ASN CA C 17 56.624 56.572 0.052 1
1 144 . 15 1 1 A 17 17 ASN CB C 17 38.066 38.384 -0.318 1
1 145 . 15 1 1 A 18 18 THR H H 18 9.130 8.361 0.769 1
1 146 . 15 1 1 A 18 18 THR HA H 18 3.888 3.922 -0.034 1
1 151 . 15 1 1 A 18 18 THR CA C 18 65.897 66.536 -0.639 1
1 152 . 15 1 1 A 18 18 THR CB C 18 67.277 68.734 -1.457 1
1 154 . 15 1 1 A 19 19 ALA H H 19 8.516 8.446 0.070 1
1 155 . 15 1 1 A 19 19 ALA HA H 19 4.049 4.070 -0.021 1
1 159 . 15 1 1 A 19 19 ALA CA C 19 55.280 55.264 0.016 1
1 160 . 15 1 1 A 19 19 ALA CB C 19 19.411 18.842 0.569 1
1 161 . 15 1 1 A 20 20 TRP H H 20 9.036 8.767 0.269 1
1 162 . 15 1 1 A 20 20 TRP HA H 20 4.110 4.483 -0.373 1
1 171 . 15 1 1 A 20 20 TRP CA C 20 61.191 61.825 -0.634 1
1 172 . 15 1 1 A 20 20 TRP CB C 20 28.615 29.600 -0.985 1
1 178 . 15 1 1 A 21 21 THR H H 21 8.630 8.488 0.142 1
1 179 . 15 1 1 A 21 21 THR HA H 21 3.650 4.151 -0.501 1
1 184 . 15 1 1 A 21 21 THR CA C 21 66.297 66.630 -0.333 1
1 185 . 15 1 1 A 21 21 THR CB C 21 68.329 68.617 -0.288 1
1 187 . 15 1 1 A 22 22 THR H H 22 8.509 8.370 0.139 1
1 188 . 15 1 1 A 22 22 THR HA H 22 3.605 3.789 -0.184 1
1 193 . 15 1 1 A 22 22 THR CA C 22 66.625 66.908 -0.283 1
1 194 . 15 1 1 A 22 22 THR CB C 22 67.818 68.297 -0.479 1
1 196 . 15 1 1 A 23 23 CYS H H 23 8.357 8.739 -0.382 1
1 197 . 15 1 1 A 23 23 CYS HA H 23 4.332 4.402 -0.070 1
1 200 . 15 1 1 A 23 23 CYS CA C 23 57.046 58.720 -1.674 1
1 201 . 15 1 1 A 23 23 CYS CB C 23 40.331 41.913 -1.582 1
1 202 . 15 1 1 A 24 24 THR H H 24 7.178 7.253 -0.075 1
1 203 . 15 1 1 A 24 24 THR HA H 24 4.437 4.530 -0.093 1
1 208 . 15 1 1 A 24 24 THR CA C 24 60.381 61.444 -1.063 1
1 209 . 15 1 1 A 24 24 THR CB C 24 70.672 70.010 0.662 1
1 211 . 15 1 1 A 25 25 THR H H 25 7.220 7.060 0.160 1
1 212 . 15 1 1 A 25 25 THR HA H 25 5.154 5.064 0.090 1
1 217 . 15 1 1 A 25 25 THR CA C 25 59.059 58.633 0.426 1
1 218 . 15 1 1 A 25 25 THR CB C 25 69.107 70.432 -1.325 1
1 220 . 15 1 1 A 26 26 PRO HA H 26 4.549 4.590 -0.041 1
1 227 . 15 1 1 A 26 26 PRO CA C 26 64.733 63.203 1.530 1
1 228 . 15 1 1 A 26 26 PRO CB C 26 32.055 32.038 0.017 1
1 231 . 15 1 1 A 27 27 GLY H H 27 9.118 8.017 1.101 1
1 232 . 15 1 1 A 27 27 GLY HA2 H 27 4.555 4.222 0.333 1
1 233 . 15 1 1 A 27 27 GLY HA3 H 27 3.937 4.230 -0.293 1
1 234 . 15 1 1 A 27 27 GLY CA C 27 43.918 45.493 -1.575 1
1 235 . 15 1 1 A 28 28 GLN H H 28 8.971 8.844 0.127 1
1 236 . 15 1 1 A 28 28 GLN HA H 28 4.167 4.190 -0.023 1
1 243 . 15 1 1 A 28 28 GLN CA C 28 58.650 58.285 0.365 1
1 244 . 15 1 1 A 28 28 GLN CB C 28 28.853 28.194 0.659 1
1 246 . 15 1 1 A 29 29 THR H H 29 8.533 7.832 0.701 1
1 247 . 15 1 1 A 29 29 THR HA H 29 4.499 4.670 -0.171 1
1 252 . 15 1 1 A 29 29 THR CA C 29 59.513 59.791 -0.278 1
1 253 . 15 1 1 A 29 29 THR CB C 29 68.879 68.840 0.039 1
1 255 . 15 1 1 A 30 30 CYS H H 30 7.040 8.438 -1.398 1
1 256 . 15 1 1 A 30 30 CYS HA H 30 3.823 4.594 -0.771 1
1 259 . 15 1 1 A 30 30 CYS CA C 30 59.787 57.588 2.199 1
1 260 . 15 1 1 A 30 30 CYS CB C 30 41.483 29.008 12.475 1
1 261 . 15 1 1 A 31 31 TYR H H 31 9.732 8.977 0.755 1
1 262 . 15 1 1 A 31 31 TYR HA H 31 3.780 4.068 -0.288 1
1 269 . 15 1 1 A 31 31 TYR CA C 31 64.210 61.917 2.293 1
1 270 . 15 1 1 A 31 31 TYR CB C 31 39.118 38.704 0.414 1
1 273 . 15 1 1 A 32 32 THR H H 32 9.792 8.308 1.484 1
1 274 . 15 1 1 A 32 32 THR HA H 32 4.050 3.837 0.213 1
1 279 . 15 1 1 A 32 32 THR CA C 32 66.055 66.686 -0.631 1
1 280 . 15 1 1 A 32 32 THR CB C 32 68.541 68.414 0.127 1
1 282 . 15 1 1 A 33 33 CYS H H 33 8.845 8.776 0.069 1
1 283 . 15 1 1 A 33 33 CYS HA H 33 4.948 4.019 0.929 1
1 286 . 15 1 1 A 33 33 CYS CB C 33 37.503 41.481 -3.978 1
1 287 . 15 1 1 A 34 34 CYS H H 34 8.129 7.969 0.160 1
1 288 . 15 1 1 A 34 34 CYS HA H 34 4.718 4.344 0.374 1
1 291 . 15 1 1 A 34 34 CYS CB C 34 33.988 41.381 -7.393 1
1 292 . 15 1 1 A 35 35 SER H H 35 7.542 8.207 -0.665 1
1 293 . 15 1 1 A 35 35 SER HA H 35 4.404 4.171 0.233 1
1 296 . 15 1 1 A 35 35 SER CA C 35 59.877 61.453 -1.576 1
1 297 . 15 1 1 A 35 35 SER CB C 35 63.139 62.837 0.302 1
1 298 . 15 1 1 A 36 36 SER H H 36 7.129 7.717 -0.588 1
1 299 . 15 1 1 A 36 36 SER HA H 36 4.692 4.536 0.156 1
1 302 . 15 1 1 A 36 36 SER CB C 36 62.611 63.028 -0.417 1
1 303 . 15 1 1 A 37 37 CYS H H 37 7.752 7.909 -0.157 1
1 304 . 15 1 1 A 37 37 CYS HA H 37 4.464 4.501 -0.037 1
1 307 . 15 1 1 A 37 37 CYS CA C 37 59.010 56.884 2.126 1
1 308 . 15 1 1 A 37 37 CYS CB C 37 48.093 45.117 2.976 1
1 309 . 15 1 1 A 38 38 PHE H H 38 7.013 7.958 -0.945 1
1 310 . 15 1 1 A 38 38 PHE HA H 38 5.633 5.151 0.482 1
1 317 . 15 1 1 A 38 38 PHE CA C 38 55.379 57.289 -1.910 1
1 318 . 15 1 1 A 38 38 PHE CB C 38 42.836 41.658 1.178 1
1 322 . 15 1 1 A 39 39 ASP H H 39 8.871 9.012 -0.141 1
1 323 . 15 1 1 A 39 39 ASP HA H 39 4.392 4.663 -0.271 1
1 326 . 15 1 1 A 39 39 ASP CA C 39 52.467 54.738 -2.271 1
1 327 . 15 1 1 A 39 39 ASP CB C 39 39.511 41.971 -2.460 1
1 328 . 15 1 1 A 40 40 VAL H H 40 8.003 8.527 -0.524 1
1 329 . 15 1 1 A 40 40 VAL HA H 40 3.985 3.733 0.252 1
1 337 . 15 1 1 A 40 40 VAL CA C 40 65.558 65.330 0.228 1
1 338 . 15 1 1 A 40 40 VAL CB C 40 29.014 31.693 -2.679 1
1 341 . 15 1 1 A 41 41 VAL H H 41 7.493 7.848 -0.355 1
1 342 . 15 1 1 A 41 41 VAL HA H 41 3.528 3.394 0.134 1
1 350 . 15 1 1 A 41 41 VAL CA C 41 65.014 65.845 -0.831 1
1 351 . 15 1 1 A 41 41 VAL CB C 41 31.518 31.115 0.403 1
1 354 . 15 1 1 A 42 42 GLY H H 42 8.730 8.125 0.605 1
1 355 . 15 1 1 A 42 42 GLY HA2 H 42 2.573 3.301 -0.728 1
1 356 . 15 1 1 A 42 42 GLY HA3 H 42 3.224 3.928 -0.704 1
1 357 . 15 1 1 A 42 42 GLY CA C 42 47.496 46.598 0.898 1
1 358 . 15 1 1 A 43 43 GLU H H 43 10.197 8.674 1.523 1
1 359 . 15 1 1 A 43 43 GLU HA H 43 3.776 3.990 -0.214 1
1 364 . 15 1 1 A 43 43 GLU CA C 43 58.892 59.382 -0.490 1
1 365 . 15 1 1 A 43 43 GLU CB C 43 29.300 29.431 -0.131 1
1 367 . 15 1 1 A 44 44 GLN H H 44 6.648 7.712 -1.064 1
1 368 . 15 1 1 A 44 44 GLN HA H 44 4.028 3.965 0.063 1
1 375 . 15 1 1 A 44 44 GLN CA C 44 57.875 58.509 -0.634 1
1 376 . 15 1 1 A 44 44 GLN CB C 44 27.790 28.579 -0.789 1
1 378 . 15 1 1 A 45 45 ALA H H 45 7.131 7.866 -0.735 1
1 379 . 15 1 1 A 45 45 ALA HA H 45 4.076 3.982 0.094 1
1 383 . 15 1 1 A 45 45 ALA CA C 45 54.601 55.185 -0.584 1
1 384 . 15 1 1 A 45 45 ALA CB C 45 17.623 17.573 0.050 1
1 385 . 15 1 1 A 46 46 CYS H H 46 8.934 8.093 0.841 1
1 386 . 15 1 1 A 46 46 CYS HA H 46 3.116 3.308 -0.192 1
1 389 . 15 1 1 A 46 46 CYS CA C 46 58.321 58.760 -0.439 1
1 390 . 15 1 1 A 47 47 GLN H H 47 8.360 8.261 0.099 1
1 391 . 15 1 1 A 47 47 GLN HA H 47 3.352 3.606 -0.254 1
1 398 . 15 1 1 A 47 47 GLN CA C 47 58.364 59.184 -0.820 1
1 399 . 15 1 1 A 47 47 GLN CB C 47 26.924 27.928 -1.004 1
1 401 . 15 1 1 A 48 48 MET H H 48 8.112 8.393 -0.281 1
1 402 . 15 1 1 A 48 48 MET HA H 48 4.379 4.292 0.087 1
1 407 . 15 1 1 A 48 48 MET CA C 48 57.081 57.469 -0.388 1
1 408 . 15 1 1 A 48 48 MET CB C 48 31.934 32.289 -0.355 1
1 410 . 15 1 1 A 49 49 SER H H 49 7.672 8.009 -0.337 1
1 411 . 15 1 1 A 49 49 SER HA H 49 4.536 4.615 -0.079 1
1 414 . 15 1 1 A 49 49 SER CA C 49 59.206 58.247 0.959 1
1 415 . 15 1 1 A 49 49 SER CB C 49 63.792 63.970 -0.178 1
1 416 . 15 1 1 A 50 50 ALA H H 50 7.602 7.231 0.371 1
1 417 . 15 1 1 A 50 50 ALA HA H 50 4.187 4.341 -0.154 1
1 421 . 15 1 1 A 50 50 ALA CA C 50 52.637 51.076 1.561 1
1 422 . 15 1 1 A 50 50 ALA CB C 50 17.896 19.212 -1.316 1
1 423 . 15 1 1 A 51 51 GLN H H 51 8.004 8.651 -0.647 1
1 424 . 15 1 1 A 51 51 GLN HA H 51 4.584 4.957 -0.373 1
1 431 . 15 1 1 A 51 51 GLN CA C 51 54.256 54.711 -0.455 1
1 432 . 15 1 1 A 51 51 GLN CB C 51 28.525 29.365 -0.840 1
1 8 . 16 1 1 A 2 2 PRO HA H 2 3.996 4.478 -0.482 1
1 15 . 16 1 1 A 2 2 PRO CA C 2 66.442 64.019 2.423 1
1 16 . 16 1 1 A 2 2 PRO CB C 2 30.824 31.639 -0.815 1
1 19 . 16 1 1 A 3 3 GLU H H 3 8.359 8.047 0.312 1
1 20 . 16 1 1 A 3 3 GLU HA H 3 4.085 3.975 0.110 1
1 25 . 16 1 1 A 3 3 GLU CA C 3 58.481 58.132 0.349 1
1 26 . 16 1 1 A 3 3 GLU CB C 3 28.167 28.904 -0.737 1
1 28 . 16 1 1 A 4 4 ASP H H 4 7.555 7.722 -0.167 1
1 29 . 16 1 1 A 4 4 ASP HA H 4 4.379 4.275 0.104 1
1 32 . 16 1 1 A 4 4 ASP CA C 4 55.752 55.276 0.476 1
1 33 . 16 1 1 A 4 4 ASP CB C 4 40.237 40.913 -0.676 1
1 34 . 16 1 1 A 5 5 TRP H H 5 7.357 7.606 -0.249 1
1 35 . 16 1 1 A 5 5 TRP HA H 5 5.331 4.800 0.531 1
1 44 . 16 1 1 A 5 5 TRP CA C 5 54.949 56.676 -1.727 1
1 45 . 16 1 1 A 5 5 TRP CB C 5 31.983 30.117 1.866 1
1 51 . 16 1 1 A 6 6 PHE H H 6 7.664 7.388 0.276 1
1 52 . 16 1 1 A 6 6 PHE HA H 6 5.144 4.007 1.137 1
1 60 . 16 1 1 A 6 6 PHE CB C 6 39.765 39.311 0.454 1
1 64 . 16 1 1 A 7 7 THR H H 7 8.099 8.099 0.000 1
1 65 . 16 1 1 A 7 7 THR HA H 7 4.628 4.764 -0.136 1
1 70 . 16 1 1 A 7 7 THR CA C 7 53.988 58.618 -4.630 1
1 71 . 16 1 1 A 7 7 THR CB C 7 69.001 69.191 -0.190 1
1 73 . 16 1 1 A 8 8 PRO HA H 8 3.311 4.204 -0.893 1
1 80 . 16 1 1 A 8 8 PRO CA C 8 63.015 64.291 -1.276 1
1 81 . 16 1 1 A 8 8 PRO CB C 8 31.169 31.691 -0.522 1
1 84 . 16 1 1 A 9 9 ASP H H 9 8.798 8.438 0.360 1
1 85 . 16 1 1 A 9 9 ASP HA H 9 4.249 4.299 -0.050 1
1 88 . 16 1 1 A 9 9 ASP CA C 9 56.899 57.237 -0.338 1
1 89 . 16 1 1 A 9 9 ASP CB C 9 39.412 40.624 -1.212 1
1 90 . 16 1 1 A 10 10 THR H H 10 6.936 7.783 -0.847 1
1 91 . 16 1 1 A 10 10 THR HA H 10 4.405 4.429 -0.024 1
1 96 . 16 1 1 A 10 10 THR CA C 10 59.512 62.462 -2.950 1
1 97 . 16 1 1 A 10 10 THR CB C 10 68.463 70.252 -1.789 1
1 99 . 16 1 1 A 11 11 CYS H H 11 7.158 7.429 -0.271 1
1 100 . 16 1 1 A 11 11 CYS HA H 11 4.563 4.750 -0.187 1
1 103 . 16 1 1 A 11 11 CYS CB C 11 40.355 44.591 -4.236 1
1 104 . 16 1 1 A 12 12 ALA H H 12 8.807 8.772 0.035 1
1 105 . 16 1 1 A 12 12 ALA HA H 12 3.909 4.283 -0.374 1
1 109 . 16 1 1 A 12 12 ALA CA C 12 52.884 52.497 0.387 1
1 110 . 16 1 1 A 12 12 ALA CB C 12 17.564 19.073 -1.509 1
1 111 . 16 1 1 A 13 13 TYR H H 13 7.510 7.792 -0.282 1
1 112 . 16 1 1 A 13 13 TYR HA H 13 4.841 5.301 -0.460 1
1 119 . 16 1 1 A 13 13 TYR CB C 13 38.900 42.563 -3.663 1
1 122 . 16 1 1 A 14 14 GLY H H 14 9.002 8.794 0.208 1
1 123 . 16 1 1 A 14 14 GLY HA2 H 14 4.144 4.185 -0.041 1
1 124 . 16 1 1 A 14 14 GLY HA3 H 14 3.971 4.344 -0.373 1
1 125 . 16 1 1 A 14 14 GLY CA C 14 46.044 45.602 0.442 1
1 126 . 16 1 1 A 15 15 ASP H H 15 7.322 7.934 -0.612 1
1 127 . 16 1 1 A 15 15 ASP HA H 15 4.789 4.936 -0.147 1
1 130 . 16 1 1 A 15 15 ASP CB C 15 43.563 43.433 0.130 1
1 131 . 16 1 1 A 16 16 SER H H 16 8.796 8.778 0.018 1
1 132 . 16 1 1 A 16 16 SER HA H 16 3.006 4.364 -1.358 1
1 135 . 16 1 1 A 16 16 SER CA C 16 61.150 61.808 -0.658 1
1 136 . 16 1 1 A 16 16 SER CB C 16 61.849 62.883 -1.034 1
1 137 . 16 1 1 A 17 17 ASN H H 17 8.281 8.097 0.184 1
1 138 . 16 1 1 A 17 17 ASN HA H 17 4.679 4.416 0.263 1
1 143 . 16 1 1 A 17 17 ASN CA C 17 56.624 56.522 0.102 1
1 144 . 16 1 1 A 17 17 ASN CB C 17 38.066 38.374 -0.308 1
1 145 . 16 1 1 A 18 18 THR H H 18 9.130 8.258 0.872 1
1 146 . 16 1 1 A 18 18 THR HA H 18 3.888 3.782 0.106 1
1 151 . 16 1 1 A 18 18 THR CA C 18 65.897 66.526 -0.629 1
1 152 . 16 1 1 A 18 18 THR CB C 18 67.277 68.601 -1.324 1
1 154 . 16 1 1 A 19 19 ALA H H 19 8.516 8.484 0.032 1
1 155 . 16 1 1 A 19 19 ALA HA H 19 4.049 3.892 0.157 1
1 159 . 16 1 1 A 19 19 ALA CA C 19 55.280 55.262 0.018 1
1 160 . 16 1 1 A 19 19 ALA CB C 19 19.411 18.962 0.449 1
1 161 . 16 1 1 A 20 20 TRP H H 20 9.036 8.395 0.641 1
1 162 . 16 1 1 A 20 20 TRP HA H 20 4.110 4.001 0.109 1
1 171 . 16 1 1 A 20 20 TRP CA C 20 61.191 61.577 -0.386 1
1 172 . 16 1 1 A 20 20 TRP CB C 20 28.615 29.627 -1.012 1
1 178 . 16 1 1 A 21 21 THR H H 21 8.630 8.332 0.298 1
1 179 . 16 1 1 A 21 21 THR HA H 21 3.650 4.095 -0.445 1
1 184 . 16 1 1 A 21 21 THR CA C 21 66.297 66.656 -0.359 1
1 185 . 16 1 1 A 21 21 THR CB C 21 68.329 68.412 -0.083 1
1 187 . 16 1 1 A 22 22 THR H H 22 8.509 8.374 0.135 1
1 188 . 16 1 1 A 22 22 THR HA H 22 3.605 3.685 -0.080 1
1 193 . 16 1 1 A 22 22 THR CA C 22 66.625 66.881 -0.256 1
1 194 . 16 1 1 A 22 22 THR CB C 22 67.818 68.165 -0.347 1
1 196 . 16 1 1 A 23 23 CYS H H 23 8.357 8.339 0.018 1
1 197 . 16 1 1 A 23 23 CYS HA H 23 4.332 4.352 -0.020 1
1 200 . 16 1 1 A 23 23 CYS CA C 23 57.046 59.089 -2.043 1
1 201 . 16 1 1 A 23 23 CYS CB C 23 40.331 41.941 -1.610 1
1 202 . 16 1 1 A 24 24 THR H H 24 7.178 7.482 -0.304 1
1 203 . 16 1 1 A 24 24 THR HA H 24 4.437 4.248 0.189 1
1 208 . 16 1 1 A 24 24 THR CA C 24 60.381 62.276 -1.895 1
1 209 . 16 1 1 A 24 24 THR CB C 24 70.672 69.665 1.007 1
1 211 . 16 1 1 A 25 25 THR H H 25 7.220 7.072 0.148 1
1 212 . 16 1 1 A 25 25 THR HA H 25 5.154 4.944 0.210 1
1 217 . 16 1 1 A 25 25 THR CA C 25 59.059 58.393 0.666 1
1 218 . 16 1 1 A 25 25 THR CB C 25 69.107 69.999 -0.892 1
1 220 . 16 1 1 A 26 26 PRO HA H 26 4.549 4.668 -0.119 1
1 227 . 16 1 1 A 26 26 PRO CA C 26 64.733 63.339 1.394 1
1 228 . 16 1 1 A 26 26 PRO CB C 26 32.055 31.725 0.330 1
1 231 . 16 1 1 A 27 27 GLY H H 27 9.118 8.008 1.110 1
1 232 . 16 1 1 A 27 27 GLY HA2 H 27 4.555 4.192 0.363 1
1 233 . 16 1 1 A 27 27 GLY HA3 H 27 3.937 4.195 -0.258 1
1 234 . 16 1 1 A 27 27 GLY CA C 27 43.918 45.606 -1.688 1
1 235 . 16 1 1 A 28 28 GLN H H 28 8.971 8.855 0.116 1
1 236 . 16 1 1 A 28 28 GLN HA H 28 4.167 4.184 -0.017 1
1 243 . 16 1 1 A 28 28 GLN CA C 28 58.650 58.004 0.646 1
1 244 . 16 1 1 A 28 28 GLN CB C 28 28.853 28.261 0.592 1
1 246 . 16 1 1 A 29 29 THR H H 29 8.533 7.751 0.782 1
1 247 . 16 1 1 A 29 29 THR HA H 29 4.499 4.652 -0.153 1
1 252 . 16 1 1 A 29 29 THR CA C 29 59.513 59.785 -0.272 1
1 253 . 16 1 1 A 29 29 THR CB C 29 68.879 68.738 0.141 1
1 255 . 16 1 1 A 30 30 CYS H H 30 7.040 8.467 -1.427 1
1 256 . 16 1 1 A 30 30 CYS HA H 30 3.823 4.549 -0.726 1
1 259 . 16 1 1 A 30 30 CYS CA C 30 59.787 57.634 2.153 1
1 260 . 16 1 1 A 30 30 CYS CB C 30 41.483 29.780 11.703 1
1 261 . 16 1 1 A 31 31 TYR H H 31 9.732 8.954 0.778 1
1 262 . 16 1 1 A 31 31 TYR HA H 31 3.780 4.045 -0.265 1
1 269 . 16 1 1 A 31 31 TYR CA C 31 64.210 61.871 2.339 1
1 270 . 16 1 1 A 31 31 TYR CB C 31 39.118 38.782 0.336 1
1 273 . 16 1 1 A 32 32 THR H H 32 9.792 8.279 1.513 1
1 274 . 16 1 1 A 32 32 THR HA H 32 4.050 3.837 0.213 1
1 279 . 16 1 1 A 32 32 THR CA C 32 66.055 66.752 -0.697 1
1 280 . 16 1 1 A 32 32 THR CB C 32 68.541 68.428 0.113 1
1 282 . 16 1 1 A 33 33 CYS H H 33 8.845 8.787 0.058 1
1 283 . 16 1 1 A 33 33 CYS HA H 33 4.948 3.959 0.989 1
1 286 . 16 1 1 A 33 33 CYS CB C 33 37.503 41.321 -3.818 1
1 287 . 16 1 1 A 34 34 CYS H H 34 8.129 7.945 0.184 1
1 288 . 16 1 1 A 34 34 CYS HA H 34 4.718 3.971 0.747 1
1 291 . 16 1 1 A 34 34 CYS CB C 34 33.988 41.263 -7.275 1
1 292 . 16 1 1 A 35 35 SER H H 35 7.542 8.023 -0.481 1
1 293 . 16 1 1 A 35 35 SER HA H 35 4.404 4.113 0.291 1
1 296 . 16 1 1 A 35 35 SER CA C 35 59.877 61.428 -1.551 1
1 297 . 16 1 1 A 35 35 SER CB C 35 63.139 62.934 0.205 1
1 298 . 16 1 1 A 36 36 SER H H 36 7.129 7.684 -0.555 1
1 299 . 16 1 1 A 36 36 SER HA H 36 4.692 4.235 0.457 1
1 302 . 16 1 1 A 36 36 SER CB C 36 62.611 62.107 0.504 1
1 303 . 16 1 1 A 37 37 CYS H H 37 7.752 8.040 -0.288 1
1 304 . 16 1 1 A 37 37 CYS HA H 37 4.464 4.844 -0.380 1
1 307 . 16 1 1 A 37 37 CYS CA C 37 59.010 57.349 1.661 1
1 308 . 16 1 1 A 37 37 CYS CB C 37 48.093 45.531 2.562 1
1 309 . 16 1 1 A 38 38 PHE H H 38 7.013 7.835 -0.822 1
1 310 . 16 1 1 A 38 38 PHE HA H 38 5.633 5.338 0.295 1
1 317 . 16 1 1 A 38 38 PHE CA C 38 55.379 57.120 -1.741 1
1 318 . 16 1 1 A 38 38 PHE CB C 38 42.836 42.550 0.286 1
1 322 . 16 1 1 A 39 39 ASP H H 39 8.871 8.635 0.236 1
1 323 . 16 1 1 A 39 39 ASP HA H 39 4.392 4.701 -0.309 1
1 326 . 16 1 1 A 39 39 ASP CA C 39 52.467 54.493 -2.026 1
1 327 . 16 1 1 A 39 39 ASP CB C 39 39.511 42.029 -2.518 1
1 328 . 16 1 1 A 40 40 VAL H H 40 8.003 8.521 -0.518 1
1 329 . 16 1 1 A 40 40 VAL HA H 40 3.985 3.701 0.284 1
1 337 . 16 1 1 A 40 40 VAL CA C 40 65.558 65.334 0.224 1
1 338 . 16 1 1 A 40 40 VAL CB C 40 29.014 31.714 -2.700 1
1 341 . 16 1 1 A 41 41 VAL H H 41 7.493 8.124 -0.631 1
1 342 . 16 1 1 A 41 41 VAL HA H 41 3.528 3.472 0.056 1
1 350 . 16 1 1 A 41 41 VAL CA C 41 65.014 65.922 -0.908 1
1 351 . 16 1 1 A 41 41 VAL CB C 41 31.518 31.271 0.247 1
1 354 . 16 1 1 A 42 42 GLY H H 42 8.730 7.969 0.761 1
1 355 . 16 1 1 A 42 42 GLY HA2 H 42 2.573 2.873 -0.300 1
1 356 . 16 1 1 A 42 42 GLY HA3 H 42 3.224 3.928 -0.704 1
1 357 . 16 1 1 A 42 42 GLY CA C 42 47.496 45.748 1.748 1
1 358 . 16 1 1 A 43 43 GLU H H 43 10.197 8.611 1.586 1
1 359 . 16 1 1 A 43 43 GLU HA H 43 3.776 3.909 -0.133 1
1 364 . 16 1 1 A 43 43 GLU CA C 43 58.892 59.560 -0.668 1
1 365 . 16 1 1 A 43 43 GLU CB C 43 29.300 29.422 -0.122 1
1 367 . 16 1 1 A 44 44 GLN H H 44 6.648 7.890 -1.242 1
1 368 . 16 1 1 A 44 44 GLN HA H 44 4.028 3.915 0.113 1
1 375 . 16 1 1 A 44 44 GLN CA C 44 57.875 58.927 -1.052 1
1 376 . 16 1 1 A 44 44 GLN CB C 44 27.790 28.883 -1.093 1
1 378 . 16 1 1 A 45 45 ALA H H 45 7.131 7.876 -0.745 1
1 379 . 16 1 1 A 45 45 ALA HA H 45 4.076 4.047 0.029 1
1 383 . 16 1 1 A 45 45 ALA CA C 45 54.601 55.214 -0.613 1
1 384 . 16 1 1 A 45 45 ALA CB C 45 17.623 17.602 0.021 1
1 385 . 16 1 1 A 46 46 CYS H H 46 8.934 8.203 0.731 1
1 386 . 16 1 1 A 46 46 CYS HA H 46 3.116 3.023 0.093 1
1 389 . 16 1 1 A 46 46 CYS CA C 46 58.321 58.919 -0.598 1
1 390 . 16 1 1 A 47 47 GLN H H 47 8.360 8.218 0.142 1
1 391 . 16 1 1 A 47 47 GLN HA H 47 3.352 3.365 -0.013 1
1 398 . 16 1 1 A 47 47 GLN CA C 47 58.364 58.953 -0.589 1
1 399 . 16 1 1 A 47 47 GLN CB C 47 26.924 27.663 -0.739 1
1 401 . 16 1 1 A 48 48 MET H H 48 8.112 8.351 -0.239 1
1 402 . 16 1 1 A 48 48 MET HA H 48 4.379 4.268 0.111 1
1 407 . 16 1 1 A 48 48 MET CA C 48 57.081 57.965 -0.884 1
1 408 . 16 1 1 A 48 48 MET CB C 48 31.934 32.573 -0.639 1
1 410 . 16 1 1 A 49 49 SER H H 49 7.672 7.538 0.134 1
1 411 . 16 1 1 A 49 49 SER HA H 49 4.536 4.405 0.131 1
1 414 . 16 1 1 A 49 49 SER CA C 49 59.206 59.617 -0.411 1
1 415 . 16 1 1 A 49 49 SER CB C 49 63.792 63.655 0.137 1
1 416 . 16 1 1 A 50 50 ALA H H 50 7.602 7.061 0.541 1
1 417 . 16 1 1 A 50 50 ALA HA H 50 4.187 4.389 -0.202 1
1 421 . 16 1 1 A 50 50 ALA CA C 50 52.637 51.097 1.540 1
1 422 . 16 1 1 A 50 50 ALA CB C 50 17.896 19.638 -1.742 1
1 423 . 16 1 1 A 51 51 GLN H H 51 8.004 8.544 -0.540 1
1 424 . 16 1 1 A 51 51 GLN HA H 51 4.584 4.891 -0.307 1
1 431 . 16 1 1 A 51 51 GLN CA C 51 54.256 54.570 -0.314 1
1 432 . 16 1 1 A 51 51 GLN CB C 51 28.525 29.633 -1.108 1
1 8 . 17 1 1 A 2 2 PRO HA H 2 3.996 4.648 -0.652 1
1 15 . 17 1 1 A 2 2 PRO CA C 2 66.442 63.996 2.446 1
1 16 . 17 1 1 A 2 2 PRO CB C 2 30.824 31.206 -0.382 1
1 19 . 17 1 1 A 3 3 GLU H H 3 8.359 8.350 0.009 1
1 20 . 17 1 1 A 3 3 GLU HA H 3 4.085 4.498 -0.413 1
1 25 . 17 1 1 A 3 3 GLU CA C 3 58.481 56.527 1.954 1
1 26 . 17 1 1 A 3 3 GLU CB C 3 28.167 29.884 -1.717 1
1 28 . 17 1 1 A 4 4 ASP H H 4 7.555 7.725 -0.170 1
1 29 . 17 1 1 A 4 4 ASP HA H 4 4.379 4.718 -0.339 1
1 32 . 17 1 1 A 4 4 ASP CA C 4 55.752 54.070 1.682 1
1 33 . 17 1 1 A 4 4 ASP CB C 4 40.237 41.703 -1.466 1
1 34 . 17 1 1 A 5 5 TRP H H 5 7.357 8.109 -0.752 1
1 35 . 17 1 1 A 5 5 TRP HA H 5 5.331 5.054 0.277 1
1 44 . 17 1 1 A 5 5 TRP CA C 5 54.949 57.079 -2.130 1
1 45 . 17 1 1 A 5 5 TRP CB C 5 31.983 30.502 1.481 1
1 51 . 17 1 1 A 6 6 PHE H H 6 7.664 7.910 -0.246 1
1 52 . 17 1 1 A 6 6 PHE HA H 6 5.144 4.459 0.685 1
1 60 . 17 1 1 A 6 6 PHE CB C 6 39.765 39.110 0.655 1
1 64 . 17 1 1 A 7 7 THR H H 7 8.099 7.955 0.144 1
1 65 . 17 1 1 A 7 7 THR HA H 7 4.628 4.685 -0.057 1
1 70 . 17 1 1 A 7 7 THR CA C 7 53.988 58.240 -4.252 1
1 71 . 17 1 1 A 7 7 THR CB C 7 69.001 70.048 -1.047 1
1 73 . 17 1 1 A 8 8 PRO HA H 8 3.311 4.050 -0.739 1
1 80 . 17 1 1 A 8 8 PRO CA C 8 63.015 64.276 -1.261 1
1 81 . 17 1 1 A 8 8 PRO CB C 8 31.169 31.544 -0.375 1
1 84 . 17 1 1 A 9 9 ASP H H 9 8.798 8.586 0.212 1
1 85 . 17 1 1 A 9 9 ASP HA H 9 4.249 4.384 -0.135 1
1 88 . 17 1 1 A 9 9 ASP CA C 9 56.899 55.678 1.221 1
1 89 . 17 1 1 A 9 9 ASP CB C 9 39.412 40.688 -1.276 1
1 90 . 17 1 1 A 10 10 THR H H 10 6.936 7.510 -0.574 1
1 91 . 17 1 1 A 10 10 THR HA H 10 4.405 4.414 -0.009 1
1 96 . 17 1 1 A 10 10 THR CA C 10 59.512 60.861 -1.349 1
1 97 . 17 1 1 A 10 10 THR CB C 10 68.463 69.440 -0.977 1
1 99 . 17 1 1 A 11 11 CYS H H 11 7.158 7.189 -0.031 1
1 100 . 17 1 1 A 11 11 CYS HA H 11 4.563 4.745 -0.182 1
1 103 . 17 1 1 A 11 11 CYS CB C 11 40.355 45.257 -4.902 1
1 104 . 17 1 1 A 12 12 ALA H H 12 8.807 8.276 0.531 1
1 105 . 17 1 1 A 12 12 ALA HA H 12 3.909 4.268 -0.359 1
1 109 . 17 1 1 A 12 12 ALA CA C 12 52.884 52.445 0.439 1
1 110 . 17 1 1 A 12 12 ALA CB C 12 17.564 18.670 -1.106 1
1 111 . 17 1 1 A 13 13 TYR H H 13 7.510 7.548 -0.038 1
1 112 . 17 1 1 A 13 13 TYR HA H 13 4.841 5.103 -0.262 1
1 119 . 17 1 1 A 13 13 TYR CB C 13 38.900 41.680 -2.780 1
1 122 . 17 1 1 A 14 14 GLY H H 14 9.002 8.852 0.150 1
1 123 . 17 1 1 A 14 14 GLY HA2 H 14 4.144 4.077 0.067 1
1 124 . 17 1 1 A 14 14 GLY HA3 H 14 3.971 4.239 -0.268 1
1 125 . 17 1 1 A 14 14 GLY CA C 14 46.044 45.704 0.340 1
1 126 . 17 1 1 A 15 15 ASP H H 15 7.322 7.767 -0.445 1
1 127 . 17 1 1 A 15 15 ASP HA H 15 4.789 4.668 0.121 1
1 130 . 17 1 1 A 15 15 ASP CB C 15 43.563 42.874 0.689 1
1 131 . 17 1 1 A 16 16 SER H H 16 8.796 8.655 0.141 1
1 132 . 17 1 1 A 16 16 SER HA H 16 3.006 4.415 -1.409 1
1 135 . 17 1 1 A 16 16 SER CA C 16 61.150 61.620 -0.470 1
1 136 . 17 1 1 A 16 16 SER CB C 16 61.849 62.805 -0.956 1
1 137 . 17 1 1 A 17 17 ASN H H 17 8.281 8.178 0.103 1
1 138 . 17 1 1 A 17 17 ASN HA H 17 4.679 4.480 0.199 1
1 143 . 17 1 1 A 17 17 ASN CA C 17 56.624 56.653 -0.029 1
1 144 . 17 1 1 A 17 17 ASN CB C 17 38.066 38.505 -0.439 1
1 145 . 17 1 1 A 18 18 THR H H 18 9.130 8.182 0.948 1
1 146 . 17 1 1 A 18 18 THR HA H 18 3.888 3.889 -0.001 1
1 151 . 17 1 1 A 18 18 THR CA C 18 65.897 65.995 -0.098 1
1 152 . 17 1 1 A 18 18 THR CB C 18 67.277 68.550 -1.273 1
1 154 . 17 1 1 A 19 19 ALA H H 19 8.516 8.580 -0.064 1
1 155 . 17 1 1 A 19 19 ALA HA H 19 4.049 4.389 -0.340 1
1 159 . 17 1 1 A 19 19 ALA CA C 19 55.280 55.400 -0.120 1
1 160 . 17 1 1 A 19 19 ALA CB C 19 19.411 19.044 0.367 1
1 161 . 17 1 1 A 20 20 TRP H H 20 9.036 9.006 0.030 1
1 162 . 17 1 1 A 20 20 TRP HA H 20 4.110 4.365 -0.255 1
1 171 . 17 1 1 A 20 20 TRP CA C 20 61.191 61.791 -0.600 1
1 172 . 17 1 1 A 20 20 TRP CB C 20 28.615 29.443 -0.828 1
1 178 . 17 1 1 A 21 21 THR H H 21 8.630 8.587 0.043 1
1 179 . 17 1 1 A 21 21 THR HA H 21 3.650 4.231 -0.581 1
1 184 . 17 1 1 A 21 21 THR CA C 21 66.297 66.767 -0.470 1
1 185 . 17 1 1 A 21 21 THR CB C 21 68.329 68.234 0.095 1
1 187 . 17 1 1 A 22 22 THR H H 22 8.509 7.714 0.795 1
1 188 . 17 1 1 A 22 22 THR HA H 22 3.605 3.775 -0.170 1
1 193 . 17 1 1 A 22 22 THR CA C 22 66.625 66.636 -0.011 1
1 194 . 17 1 1 A 22 22 THR CB C 22 67.818 67.770 0.048 1
1 196 . 17 1 1 A 23 23 CYS H H 23 8.357 8.285 0.072 1
1 197 . 17 1 1 A 23 23 CYS HA H 23 4.332 4.380 -0.048 1
1 200 . 17 1 1 A 23 23 CYS CA C 23 57.046 58.178 -1.132 1
1 201 . 17 1 1 A 23 23 CYS CB C 23 40.331 41.729 -1.398 1
1 202 . 17 1 1 A 24 24 THR H H 24 7.178 7.313 -0.135 1
1 203 . 17 1 1 A 24 24 THR HA H 24 4.437 4.658 -0.221 1
1 208 . 17 1 1 A 24 24 THR CA C 24 60.381 60.935 -0.554 1
1 209 . 17 1 1 A 24 24 THR CB C 24 70.672 69.413 1.259 1
1 211 . 17 1 1 A 25 25 THR H H 25 7.220 7.029 0.191 1
1 212 . 17 1 1 A 25 25 THR HA H 25 5.154 5.066 0.088 1
1 217 . 17 1 1 A 25 25 THR CA C 25 59.059 58.526 0.533 1
1 218 . 17 1 1 A 25 25 THR CB C 25 69.107 70.421 -1.314 1
1 220 . 17 1 1 A 26 26 PRO HA H 26 4.549 4.698 -0.149 1
1 227 . 17 1 1 A 26 26 PRO CA C 26 64.733 62.798 1.935 1
1 228 . 17 1 1 A 26 26 PRO CB C 26 32.055 31.672 0.383 1
1 231 . 17 1 1 A 27 27 GLY H H 27 9.118 7.951 1.167 1
1 232 . 17 1 1 A 27 27 GLY HA2 H 27 4.555 4.291 0.264 1
1 233 . 17 1 1 A 27 27 GLY HA3 H 27 3.937 4.298 -0.361 1
1 234 . 17 1 1 A 27 27 GLY CA C 27 43.918 45.588 -1.670 1
1 235 . 17 1 1 A 28 28 GLN H H 28 8.971 8.905 0.066 1
1 236 . 17 1 1 A 28 28 GLN HA H 28 4.167 4.194 -0.027 1
1 243 . 17 1 1 A 28 28 GLN CA C 28 58.650 58.010 0.640 1
1 244 . 17 1 1 A 28 28 GLN CB C 28 28.853 28.341 0.512 1
1 246 . 17 1 1 A 29 29 THR H H 29 8.533 7.703 0.830 1
1 247 . 17 1 1 A 29 29 THR HA H 29 4.499 4.695 -0.196 1
1 252 . 17 1 1 A 29 29 THR CA C 29 59.513 59.911 -0.398 1
1 253 . 17 1 1 A 29 29 THR CB C 29 68.879 69.370 -0.491 1
1 255 . 17 1 1 A 30 30 CYS H H 30 7.040 8.759 -1.719 1
1 256 . 17 1 1 A 30 30 CYS HA H 30 3.823 4.729 -0.906 1
1 259 . 17 1 1 A 30 30 CYS CA C 30 59.787 59.024 0.763 1
1 260 . 17 1 1 A 30 30 CYS CB C 30 41.483 28.216 13.267 1
1 261 . 17 1 1 A 31 31 TYR H H 31 9.732 8.476 1.256 1
1 262 . 17 1 1 A 31 31 TYR HA H 31 3.780 3.990 -0.210 1
1 269 . 17 1 1 A 31 31 TYR CA C 31 64.210 61.773 2.437 1
1 270 . 17 1 1 A 31 31 TYR CB C 31 39.118 38.544 0.574 1
1 273 . 17 1 1 A 32 32 THR H H 32 9.792 7.946 1.846 1
1 274 . 17 1 1 A 32 32 THR HA H 32 4.050 3.962 0.088 1
1 279 . 17 1 1 A 32 32 THR CA C 32 66.055 66.078 -0.023 1
1 280 . 17 1 1 A 32 32 THR CB C 32 68.541 68.278 0.263 1
1 282 . 17 1 1 A 33 33 CYS H H 33 8.845 8.675 0.170 1
1 283 . 17 1 1 A 33 33 CYS HA H 33 4.948 4.190 0.758 1
1 286 . 17 1 1 A 33 33 CYS CB C 33 37.503 41.882 -4.379 1
1 287 . 17 1 1 A 34 34 CYS H H 34 8.129 8.073 0.056 1
1 288 . 17 1 1 A 34 34 CYS HA H 34 4.718 4.396 0.322 1
1 291 . 17 1 1 A 34 34 CYS CB C 34 33.988 41.461 -7.473 1
1 292 . 17 1 1 A 35 35 SER H H 35 7.542 7.996 -0.454 1
1 293 . 17 1 1 A 35 35 SER HA H 35 4.404 4.393 0.011 1
1 296 . 17 1 1 A 35 35 SER CA C 35 59.877 60.889 -1.012 1
1 297 . 17 1 1 A 35 35 SER CB C 35 63.139 63.533 -0.394 1
1 298 . 17 1 1 A 36 36 SER H H 36 7.129 7.373 -0.244 1
1 299 . 17 1 1 A 36 36 SER HA H 36 4.692 4.767 -0.075 1
1 302 . 17 1 1 A 36 36 SER CB C 36 62.611 62.992 -0.381 1
1 303 . 17 1 1 A 37 37 CYS H H 37 7.752 8.277 -0.525 1
1 304 . 17 1 1 A 37 37 CYS HA H 37 4.464 4.502 -0.038 1
1 307 . 17 1 1 A 37 37 CYS CA C 37 59.010 56.604 2.406 1
1 308 . 17 1 1 A 37 37 CYS CB C 37 48.093 44.693 3.400 1
1 309 . 17 1 1 A 38 38 PHE H H 38 7.013 7.985 -0.972 1
1 310 . 17 1 1 A 38 38 PHE HA H 38 5.633 5.601 0.032 1
1 317 . 17 1 1 A 38 38 PHE CA C 38 55.379 56.596 -1.217 1
1 318 . 17 1 1 A 38 38 PHE CB C 38 42.836 42.903 -0.067 1
1 322 . 17 1 1 A 39 39 ASP H H 39 8.871 8.745 0.126 1
1 323 . 17 1 1 A 39 39 ASP HA H 39 4.392 4.653 -0.261 1
1 326 . 17 1 1 A 39 39 ASP CA C 39 52.467 54.504 -2.037 1
1 327 . 17 1 1 A 39 39 ASP CB C 39 39.511 41.980 -2.469 1
1 328 . 17 1 1 A 40 40 VAL H H 40 8.003 8.555 -0.552 1
1 329 . 17 1 1 A 40 40 VAL HA H 40 3.985 3.696 0.289 1
1 337 . 17 1 1 A 40 40 VAL CA C 40 65.558 65.235 0.323 1
1 338 . 17 1 1 A 40 40 VAL CB C 40 29.014 31.679 -2.665 1
1 341 . 17 1 1 A 41 41 VAL H H 41 7.493 7.954 -0.461 1
1 342 . 17 1 1 A 41 41 VAL HA H 41 3.528 3.397 0.131 1
1 350 . 17 1 1 A 41 41 VAL CA C 41 65.014 65.978 -0.964 1
1 351 . 17 1 1 A 41 41 VAL CB C 41 31.518 31.231 0.287 1
1 354 . 17 1 1 A 42 42 GLY H H 42 8.730 8.023 0.707 1
1 355 . 17 1 1 A 42 42 GLY HA2 H 42 2.573 3.116 -0.543 1
1 356 . 17 1 1 A 42 42 GLY HA3 H 42 3.224 3.864 -0.640 1
1 357 . 17 1 1 A 42 42 GLY CA C 42 47.496 46.714 0.782 1
1 358 . 17 1 1 A 43 43 GLU H H 43 10.197 8.621 1.576 1
1 359 . 17 1 1 A 43 43 GLU HA H 43 3.776 4.149 -0.373 1
1 364 . 17 1 1 A 43 43 GLU CA C 43 58.892 59.304 -0.412 1
1 365 . 17 1 1 A 43 43 GLU CB C 43 29.300 28.926 0.374 1
1 367 . 17 1 1 A 44 44 GLN H H 44 6.648 7.775 -1.127 1
1 368 . 17 1 1 A 44 44 GLN HA H 44 4.028 3.977 0.051 1
1 375 . 17 1 1 A 44 44 GLN CA C 44 57.875 58.251 -0.376 1
1 376 . 17 1 1 A 44 44 GLN CB C 44 27.790 28.365 -0.575 1
1 378 . 17 1 1 A 45 45 ALA H H 45 7.131 7.930 -0.799 1
1 379 . 17 1 1 A 45 45 ALA HA H 45 4.076 4.066 0.010 1
1 383 . 17 1 1 A 45 45 ALA CA C 45 54.601 55.062 -0.461 1
1 384 . 17 1 1 A 45 45 ALA CB C 45 17.623 18.117 -0.494 1
1 385 . 17 1 1 A 46 46 CYS H H 46 8.934 8.354 0.580 1
1 386 . 17 1 1 A 46 46 CYS HA H 46 3.116 3.149 -0.033 1
1 389 . 17 1 1 A 46 46 CYS CA C 46 58.321 58.941 -0.620 1
1 390 . 17 1 1 A 47 47 GLN H H 47 8.360 8.274 0.086 1
1 391 . 17 1 1 A 47 47 GLN HA H 47 3.352 3.775 -0.423 1
1 398 . 17 1 1 A 47 47 GLN CA C 47 58.364 59.014 -0.650 1
1 399 . 17 1 1 A 47 47 GLN CB C 47 26.924 27.746 -0.822 1
1 401 . 17 1 1 A 48 48 MET H H 48 8.112 7.872 0.240 1
1 402 . 17 1 1 A 48 48 MET HA H 48 4.379 4.233 0.146 1
1 407 . 17 1 1 A 48 48 MET CA C 48 57.081 58.318 -1.237 1
1 408 . 17 1 1 A 48 48 MET CB C 48 31.934 32.068 -0.134 1
1 410 . 17 1 1 A 49 49 SER H H 49 7.672 7.664 0.008 1
1 411 . 17 1 1 A 49 49 SER HA H 49 4.536 4.446 0.090 1
1 414 . 17 1 1 A 49 49 SER CA C 49 59.206 60.348 -1.142 1
1 415 . 17 1 1 A 49 49 SER CB C 49 63.792 63.451 0.341 1
1 416 . 17 1 1 A 50 50 ALA H H 50 7.602 7.217 0.385 1
1 417 . 17 1 1 A 50 50 ALA HA H 50 4.187 4.267 -0.080 1
1 421 . 17 1 1 A 50 50 ALA CA C 50 52.637 51.394 1.243 1
1 422 . 17 1 1 A 50 50 ALA CB C 50 17.896 20.143 -2.247 1
1 423 . 17 1 1 A 51 51 GLN H H 51 8.004 8.837 -0.833 1
1 424 . 17 1 1 A 51 51 GLN HA H 51 4.584 5.045 -0.461 1
1 431 . 17 1 1 A 51 51 GLN CA C 51 54.256 54.721 -0.465 1
1 432 . 17 1 1 A 51 51 GLN CB C 51 28.525 29.030 -0.505 1
1 8 . 18 1 1 A 2 2 PRO HA H 2 3.996 4.425 -0.429 1
1 15 . 18 1 1 A 2 2 PRO CA C 2 66.442 63.675 2.767 1
1 16 . 18 1 1 A 2 2 PRO CB C 2 30.824 31.817 -0.993 1
1 19 . 18 1 1 A 3 3 GLU H H 3 8.359 8.116 0.243 1
1 20 . 18 1 1 A 3 3 GLU HA H 3 4.085 4.435 -0.350 1
1 25 . 18 1 1 A 3 3 GLU CA C 3 58.481 55.742 2.739 1
1 26 . 18 1 1 A 3 3 GLU CB C 3 28.167 30.153 -1.986 1
1 28 . 18 1 1 A 4 4 ASP H H 4 7.555 7.459 0.096 1
1 29 . 18 1 1 A 4 4 ASP HA H 4 4.379 4.734 -0.355 1
1 32 . 18 1 1 A 4 4 ASP CA C 4 55.752 53.990 1.762 1
1 33 . 18 1 1 A 4 4 ASP CB C 4 40.237 42.304 -2.067 1
1 34 . 18 1 1 A 5 5 TRP H H 5 7.357 7.543 -0.186 1
1 35 . 18 1 1 A 5 5 TRP HA H 5 5.331 4.750 0.581 1
1 44 . 18 1 1 A 5 5 TRP CA C 5 54.949 56.231 -1.282 1
1 45 . 18 1 1 A 5 5 TRP CB C 5 31.983 29.399 2.584 1
1 51 . 18 1 1 A 6 6 PHE H H 6 7.664 7.568 0.096 1
1 52 . 18 1 1 A 6 6 PHE HA H 6 5.144 4.308 0.836 1
1 60 . 18 1 1 A 6 6 PHE CB C 6 39.765 38.836 0.929 1
1 64 . 18 1 1 A 7 7 THR H H 7 8.099 7.988 0.111 1
1 65 . 18 1 1 A 7 7 THR HA H 7 4.628 4.842 -0.214 1
1 70 . 18 1 1 A 7 7 THR CA C 7 53.988 58.771 -4.783 1
1 71 . 18 1 1 A 7 7 THR CB C 7 69.001 69.050 -0.049 1
1 73 . 18 1 1 A 8 8 PRO HA H 8 3.311 4.178 -0.867 1
1 80 . 18 1 1 A 8 8 PRO CA C 8 63.015 64.363 -1.348 1
1 81 . 18 1 1 A 8 8 PRO CB C 8 31.169 31.640 -0.471 1
1 84 . 18 1 1 A 9 9 ASP H H 9 8.798 8.704 0.094 1
1 85 . 18 1 1 A 9 9 ASP HA H 9 4.249 4.397 -0.148 1
1 88 . 18 1 1 A 9 9 ASP CA C 9 56.899 56.274 0.625 1
1 89 . 18 1 1 A 9 9 ASP CB C 9 39.412 40.437 -1.025 1
1 90 . 18 1 1 A 10 10 THR H H 10 6.936 7.907 -0.971 1
1 91 . 18 1 1 A 10 10 THR HA H 10 4.405 4.412 -0.007 1
1 96 . 18 1 1 A 10 10 THR CA C 10 59.512 61.462 -1.950 1
1 97 . 18 1 1 A 10 10 THR CB C 10 68.463 69.347 -0.884 1
1 99 . 18 1 1 A 11 11 CYS H H 11 7.158 7.511 -0.353 1
1 100 . 18 1 1 A 11 11 CYS HA H 11 4.563 4.685 -0.122 1
1 103 . 18 1 1 A 11 11 CYS CB C 11 40.355 44.803 -4.448 1
1 104 . 18 1 1 A 12 12 ALA H H 12 8.807 8.524 0.283 1
1 105 . 18 1 1 A 12 12 ALA HA H 12 3.909 4.066 -0.157 1
1 109 . 18 1 1 A 12 12 ALA CA C 12 52.884 54.923 -2.039 1
1 110 . 18 1 1 A 12 12 ALA CB C 12 17.564 18.404 -0.840 1
1 111 . 18 1 1 A 13 13 TYR H H 13 7.510 7.245 0.265 1
1 112 . 18 1 1 A 13 13 TYR HA H 13 4.841 4.632 0.209 1
1 119 . 18 1 1 A 13 13 TYR CB C 13 38.900 39.785 -0.885 1
1 122 . 18 1 1 A 14 14 GLY H H 14 9.002 8.871 0.131 1
1 123 . 18 1 1 A 14 14 GLY HA2 H 14 4.144 4.061 0.083 1
1 124 . 18 1 1 A 14 14 GLY HA3 H 14 3.971 4.189 -0.218 1
1 125 . 18 1 1 A 14 14 GLY CA C 14 46.044 45.631 0.413 1
1 126 . 18 1 1 A 15 15 ASP H H 15 7.322 7.786 -0.464 1
1 127 . 18 1 1 A 15 15 ASP HA H 15 4.789 4.817 -0.028 1
1 130 . 18 1 1 A 15 15 ASP CB C 15 43.563 43.714 -0.151 1
1 131 . 18 1 1 A 16 16 SER H H 16 8.796 8.844 -0.048 1
1 132 . 18 1 1 A 16 16 SER HA H 16 3.006 4.784 -1.778 1
1 135 . 18 1 1 A 16 16 SER CA C 16 61.150 61.939 -0.789 1
1 136 . 18 1 1 A 16 16 SER CB C 16 61.849 62.719 -0.870 1
1 137 . 18 1 1 A 17 17 ASN H H 17 8.281 8.161 0.120 1
1 138 . 18 1 1 A 17 17 ASN HA H 17 4.679 4.540 0.139 1
1 143 . 18 1 1 A 17 17 ASN CA C 17 56.624 56.653 -0.029 1
1 144 . 18 1 1 A 17 17 ASN CB C 17 38.066 38.600 -0.534 1
1 145 . 18 1 1 A 18 18 THR H H 18 9.130 8.277 0.853 1
1 146 . 18 1 1 A 18 18 THR HA H 18 3.888 3.915 -0.027 1
1 151 . 18 1 1 A 18 18 THR CA C 18 65.897 66.437 -0.540 1
1 152 . 18 1 1 A 18 18 THR CB C 18 67.277 68.702 -1.425 1
1 154 . 18 1 1 A 19 19 ALA H H 19 8.516 8.581 -0.065 1
1 155 . 18 1 1 A 19 19 ALA HA H 19 4.049 4.253 -0.204 1
1 159 . 18 1 1 A 19 19 ALA CA C 19 55.280 55.370 -0.090 1
1 160 . 18 1 1 A 19 19 ALA CB C 19 19.411 19.105 0.306 1
1 161 . 18 1 1 A 20 20 TRP H H 20 9.036 8.588 0.448 1
1 162 . 18 1 1 A 20 20 TRP HA H 20 4.110 4.096 0.014 1
1 171 . 18 1 1 A 20 20 TRP CA C 20 61.191 61.636 -0.445 1
1 172 . 18 1 1 A 20 20 TRP CB C 20 28.615 29.521 -0.906 1
1 178 . 18 1 1 A 21 21 THR H H 21 8.630 8.596 0.034 1
1 179 . 18 1 1 A 21 21 THR HA H 21 3.650 4.064 -0.414 1
1 184 . 18 1 1 A 21 21 THR CA C 21 66.297 66.656 -0.359 1
1 185 . 18 1 1 A 21 21 THR CB C 21 68.329 68.704 -0.375 1
1 187 . 18 1 1 A 22 22 THR H H 22 8.509 8.061 0.448 1
1 188 . 18 1 1 A 22 22 THR HA H 22 3.605 3.835 -0.230 1
1 193 . 18 1 1 A 22 22 THR CA C 22 66.625 66.827 -0.202 1
1 194 . 18 1 1 A 22 22 THR CB C 22 67.818 68.184 -0.366 1
1 196 . 18 1 1 A 23 23 CYS H H 23 8.357 8.472 -0.115 1
1 197 . 18 1 1 A 23 23 CYS HA H 23 4.332 4.483 -0.151 1
1 200 . 18 1 1 A 23 23 CYS CA C 23 57.046 58.468 -1.422 1
1 201 . 18 1 1 A 23 23 CYS CB C 23 40.331 41.715 -1.384 1
1 202 . 18 1 1 A 24 24 THR H H 24 7.178 7.565 -0.387 1
1 203 . 18 1 1 A 24 24 THR HA H 24 4.437 4.514 -0.077 1
1 208 . 18 1 1 A 24 24 THR CA C 24 60.381 61.374 -0.993 1
1 209 . 18 1 1 A 24 24 THR CB C 24 70.672 69.706 0.966 1
1 211 . 18 1 1 A 25 25 THR H H 25 7.220 7.338 -0.118 1
1 212 . 18 1 1 A 25 25 THR HA H 25 5.154 5.064 0.090 1
1 217 . 18 1 1 A 25 25 THR CA C 25 59.059 58.520 0.539 1
1 218 . 18 1 1 A 25 25 THR CB C 25 69.107 70.468 -1.361 1
1 220 . 18 1 1 A 26 26 PRO HA H 26 4.549 4.636 -0.087 1
1 227 . 18 1 1 A 26 26 PRO CA C 26 64.733 63.137 1.596 1
1 228 . 18 1 1 A 26 26 PRO CB C 26 32.055 31.885 0.170 1
1 231 . 18 1 1 A 27 27 GLY H H 27 9.118 8.010 1.108 1
1 232 . 18 1 1 A 27 27 GLY HA2 H 27 4.555 4.201 0.354 1
1 233 . 18 1 1 A 27 27 GLY HA3 H 27 3.937 4.205 -0.268 1
1 234 . 18 1 1 A 27 27 GLY CA C 27 43.918 45.568 -1.650 1
1 235 . 18 1 1 A 28 28 GLN H H 28 8.971 8.798 0.173 1
1 236 . 18 1 1 A 28 28 GLN HA H 28 4.167 4.192 -0.025 1
1 243 . 18 1 1 A 28 28 GLN CA C 28 58.650 57.839 0.811 1
1 244 . 18 1 1 A 28 28 GLN CB C 28 28.853 28.217 0.636 1
1 246 . 18 1 1 A 29 29 THR H H 29 8.533 7.670 0.863 1
1 247 . 18 1 1 A 29 29 THR HA H 29 4.499 4.658 -0.159 1
1 252 . 18 1 1 A 29 29 THR CA C 29 59.513 59.682 -0.169 1
1 253 . 18 1 1 A 29 29 THR CB C 29 68.879 69.087 -0.208 1
1 255 . 18 1 1 A 30 30 CYS H H 30 7.040 8.583 -1.543 1
1 256 . 18 1 1 A 30 30 CYS HA H 30 3.823 4.662 -0.839 1
1 259 . 18 1 1 A 30 30 CYS CA C 30 59.787 58.960 0.827 1
1 260 . 18 1 1 A 30 30 CYS CB C 30 41.483 28.220 13.263 1
1 261 . 18 1 1 A 31 31 TYR H H 31 9.732 8.473 1.259 1
1 262 . 18 1 1 A 31 31 TYR HA H 31 3.780 3.957 -0.177 1
1 269 . 18 1 1 A 31 31 TYR CA C 31 64.210 61.877 2.333 1
1 270 . 18 1 1 A 31 31 TYR CB C 31 39.118 38.608 0.510 1
1 273 . 18 1 1 A 32 32 THR H H 32 9.792 7.877 1.915 1
1 274 . 18 1 1 A 32 32 THR HA H 32 4.050 3.880 0.170 1
1 279 . 18 1 1 A 32 32 THR CA C 32 66.055 65.850 0.205 1
1 280 . 18 1 1 A 32 32 THR CB C 32 68.541 67.971 0.570 1
1 282 . 18 1 1 A 33 33 CYS H H 33 8.845 8.617 0.228 1
1 283 . 18 1 1 A 33 33 CYS HA H 33 4.948 4.021 0.927 1
1 286 . 18 1 1 A 33 33 CYS CB C 33 37.503 41.466 -3.963 1
1 287 . 18 1 1 A 34 34 CYS H H 34 8.129 8.023 0.106 1
1 288 . 18 1 1 A 34 34 CYS HA H 34 4.718 3.993 0.725 1
1 291 . 18 1 1 A 34 34 CYS CB C 34 33.988 41.370 -7.382 1
1 292 . 18 1 1 A 35 35 SER H H 35 7.542 8.133 -0.591 1
1 293 . 18 1 1 A 35 35 SER HA H 35 4.404 4.127 0.277 1
1 296 . 18 1 1 A 35 35 SER CA C 35 59.877 61.424 -1.547 1
1 297 . 18 1 1 A 35 35 SER CB C 35 63.139 63.053 0.086 1
1 298 . 18 1 1 A 36 36 SER H H 36 7.129 7.787 -0.658 1
1 299 . 18 1 1 A 36 36 SER HA H 36 4.692 4.375 0.317 1
1 302 . 18 1 1 A 36 36 SER CB C 36 62.611 61.314 1.297 1
1 303 . 18 1 1 A 37 37 CYS H H 37 7.752 8.023 -0.271 1
1 304 . 18 1 1 A 37 37 CYS HA H 37 4.464 4.816 -0.352 1
1 307 . 18 1 1 A 37 37 CYS CA C 37 59.010 57.857 1.153 1
1 308 . 18 1 1 A 37 37 CYS CB C 37 48.093 44.792 3.301 1
1 309 . 18 1 1 A 38 38 PHE H H 38 7.013 7.583 -0.570 1
1 310 . 18 1 1 A 38 38 PHE HA H 38 5.633 5.335 0.298 1
1 317 . 18 1 1 A 38 38 PHE CA C 38 55.379 57.196 -1.817 1
1 318 . 18 1 1 A 38 38 PHE CB C 38 42.836 42.267 0.569 1
1 322 . 18 1 1 A 39 39 ASP H H 39 8.871 8.458 0.413 1
1 323 . 18 1 1 A 39 39 ASP HA H 39 4.392 4.671 -0.279 1
1 326 . 18 1 1 A 39 39 ASP CA C 39 52.467 54.494 -2.027 1
1 327 . 18 1 1 A 39 39 ASP CB C 39 39.511 41.999 -2.488 1
1 328 . 18 1 1 A 40 40 VAL H H 40 8.003 8.492 -0.489 1
1 329 . 18 1 1 A 40 40 VAL HA H 40 3.985 3.755 0.230 1
1 337 . 18 1 1 A 40 40 VAL CA C 40 65.558 65.300 0.258 1
1 338 . 18 1 1 A 40 40 VAL CB C 40 29.014 31.627 -2.613 1
1 341 . 18 1 1 A 41 41 VAL H H 41 7.493 7.846 -0.353 1
1 342 . 18 1 1 A 41 41 VAL HA H 41 3.528 3.351 0.177 1
1 350 . 18 1 1 A 41 41 VAL CA C 41 65.014 65.860 -0.846 1
1 351 . 18 1 1 A 41 41 VAL CB C 41 31.518 31.104 0.414 1
1 354 . 18 1 1 A 42 42 GLY H H 42 8.730 7.890 0.840 1
1 355 . 18 1 1 A 42 42 GLY HA2 H 42 2.573 3.570 -0.997 1
1 356 . 18 1 1 A 42 42 GLY HA3 H 42 3.224 4.125 -0.901 1
1 357 . 18 1 1 A 42 42 GLY CA C 42 47.496 47.110 0.386 1
1 358 . 18 1 1 A 43 43 GLU H H 43 10.197 8.795 1.402 1
1 359 . 18 1 1 A 43 43 GLU HA H 43 3.776 4.123 -0.347 1
1 364 . 18 1 1 A 43 43 GLU CA C 43 58.892 59.463 -0.571 1
1 365 . 18 1 1 A 43 43 GLU CB C 43 29.300 29.378 -0.078 1
1 367 . 18 1 1 A 44 44 GLN H H 44 6.648 8.049 -1.401 1
1 368 . 18 1 1 A 44 44 GLN HA H 44 4.028 3.967 0.061 1
1 375 . 18 1 1 A 44 44 GLN CA C 44 57.875 58.892 -1.017 1
1 376 . 18 1 1 A 44 44 GLN CB C 44 27.790 28.628 -0.838 1
1 378 . 18 1 1 A 45 45 ALA H H 45 7.131 7.795 -0.664 1
1 379 . 18 1 1 A 45 45 ALA HA H 45 4.076 4.093 -0.017 1
1 383 . 18 1 1 A 45 45 ALA CA C 45 54.601 55.361 -0.760 1
1 384 . 18 1 1 A 45 45 ALA CB C 45 17.623 17.903 -0.280 1
1 385 . 18 1 1 A 46 46 CYS H H 46 8.934 8.539 0.395 1
1 386 . 18 1 1 A 46 46 CYS HA H 46 3.116 3.248 -0.132 1
1 389 . 18 1 1 A 46 46 CYS CA C 46 58.321 59.095 -0.774 1
1 390 . 18 1 1 A 47 47 GLN H H 47 8.360 8.279 0.081 1
1 391 . 18 1 1 A 47 47 GLN HA H 47 3.352 3.658 -0.306 1
1 398 . 18 1 1 A 47 47 GLN CA C 47 58.364 59.124 -0.760 1
1 399 . 18 1 1 A 47 47 GLN CB C 47 26.924 27.995 -1.071 1
1 401 . 18 1 1 A 48 48 MET H H 48 8.112 7.780 0.332 1
1 402 . 18 1 1 A 48 48 MET HA H 48 4.379 4.236 0.143 1
1 407 . 18 1 1 A 48 48 MET CA C 48 57.081 58.439 -1.358 1
1 408 . 18 1 1 A 48 48 MET CB C 48 31.934 33.270 -1.336 1
1 410 . 18 1 1 A 49 49 SER H H 49 7.672 7.859 -0.187 1
1 411 . 18 1 1 A 49 49 SER HA H 49 4.536 4.370 0.166 1
1 414 . 18 1 1 A 49 49 SER CA C 49 59.206 60.858 -1.652 1
1 415 . 18 1 1 A 49 49 SER CB C 49 63.792 63.062 0.730 1
1 416 . 18 1 1 A 50 50 ALA H H 50 7.602 7.351 0.251 1
1 417 . 18 1 1 A 50 50 ALA HA H 50 4.187 4.200 -0.013 1
1 421 . 18 1 1 A 50 50 ALA CA C 50 52.637 51.445 1.192 1
1 422 . 18 1 1 A 50 50 ALA CB C 50 17.896 20.013 -2.117 1
1 423 . 18 1 1 A 51 51 GLN H H 51 8.004 8.459 -0.455 1
1 424 . 18 1 1 A 51 51 GLN HA H 51 4.584 4.896 -0.312 1
1 431 . 18 1 1 A 51 51 GLN CA C 51 54.256 54.647 -0.391 1
1 432 . 18 1 1 A 51 51 GLN CB C 51 28.525 29.673 -1.148 1
1 8 . 19 1 1 A 2 2 PRO HA H 2 3.996 4.652 -0.656 1
1 15 . 19 1 1 A 2 2 PRO CA C 2 66.442 64.201 2.241 1
1 16 . 19 1 1 A 2 2 PRO CB C 2 30.824 31.788 -0.964 1
1 19 . 19 1 1 A 3 3 GLU H H 3 8.359 8.193 0.166 1
1 20 . 19 1 1 A 3 3 GLU HA H 3 4.085 3.921 0.164 1
1 25 . 19 1 1 A 3 3 GLU CA C 3 58.481 59.617 -1.136 1
1 26 . 19 1 1 A 3 3 GLU CB C 3 28.167 28.848 -0.681 1
1 28 . 19 1 1 A 4 4 ASP H H 4 7.555 7.526 0.029 1
1 29 . 19 1 1 A 4 4 ASP HA H 4 4.379 4.283 0.096 1
1 32 . 19 1 1 A 4 4 ASP CA C 4 55.752 56.229 -0.477 1
1 33 . 19 1 1 A 4 4 ASP CB C 4 40.237 40.333 -0.096 1
1 34 . 19 1 1 A 5 5 TRP H H 5 7.357 7.639 -0.282 1
1 35 . 19 1 1 A 5 5 TRP HA H 5 5.331 4.687 0.644 1
1 44 . 19 1 1 A 5 5 TRP CA C 5 54.949 56.647 -1.698 1
1 45 . 19 1 1 A 5 5 TRP CB C 5 31.983 29.571 2.412 1
1 51 . 19 1 1 A 6 6 PHE H H 6 7.664 7.428 0.236 1
1 52 . 19 1 1 A 6 6 PHE HA H 6 5.144 3.916 1.228 1
1 60 . 19 1 1 A 6 6 PHE CB C 6 39.765 39.438 0.327 1
1 64 . 19 1 1 A 7 7 THR H H 7 8.099 7.654 0.445 1
1 65 . 19 1 1 A 7 7 THR HA H 7 4.628 4.848 -0.220 1
1 70 . 19 1 1 A 7 7 THR CA C 7 53.988 58.594 -4.606 1
1 71 . 19 1 1 A 7 7 THR CB C 7 69.001 69.164 -0.163 1
1 73 . 19 1 1 A 8 8 PRO HA H 8 3.311 4.281 -0.970 1
1 80 . 19 1 1 A 8 8 PRO CA C 8 63.015 64.323 -1.308 1
1 81 . 19 1 1 A 8 8 PRO CB C 8 31.169 31.809 -0.640 1
1 84 . 19 1 1 A 9 9 ASP H H 9 8.798 8.674 0.124 1
1 85 . 19 1 1 A 9 9 ASP HA H 9 4.249 4.418 -0.169 1
1 88 . 19 1 1 A 9 9 ASP CA C 9 56.899 56.426 0.473 1
1 89 . 19 1 1 A 9 9 ASP CB C 9 39.412 40.511 -1.099 1
1 90 . 19 1 1 A 10 10 THR H H 10 6.936 7.409 -0.473 1
1 91 . 19 1 1 A 10 10 THR HA H 10 4.405 4.342 0.063 1
1 96 . 19 1 1 A 10 10 THR CA C 10 59.512 61.937 -2.425 1
1 97 . 19 1 1 A 10 10 THR CB C 10 68.463 68.942 -0.479 1
1 99 . 19 1 1 A 11 11 CYS H H 11 7.158 7.593 -0.435 1
1 100 . 19 1 1 A 11 11 CYS HA H 11 4.563 4.830 -0.267 1
1 103 . 19 1 1 A 11 11 CYS CB C 11 40.355 45.111 -4.756 1
1 104 . 19 1 1 A 12 12 ALA H H 12 8.807 8.740 0.067 1
1 105 . 19 1 1 A 12 12 ALA HA H 12 3.909 4.518 -0.609 1
1 109 . 19 1 1 A 12 12 ALA CA C 12 52.884 52.723 0.161 1
1 110 . 19 1 1 A 12 12 ALA CB C 12 17.564 18.964 -1.400 1
1 111 . 19 1 1 A 13 13 TYR H H 13 7.510 7.824 -0.314 1
1 112 . 19 1 1 A 13 13 TYR HA H 13 4.841 5.047 -0.206 1
1 119 . 19 1 1 A 13 13 TYR CB C 13 38.900 41.324 -2.424 1
1 122 . 19 1 1 A 14 14 GLY H H 14 9.002 8.615 0.387 1
1 123 . 19 1 1 A 14 14 GLY HA2 H 14 4.144 4.252 -0.108 1
1 124 . 19 1 1 A 14 14 GLY HA3 H 14 3.971 4.477 -0.506 1
1 125 . 19 1 1 A 14 14 GLY CA C 14 46.044 45.540 0.504 1
1 126 . 19 1 1 A 15 15 ASP H H 15 7.322 7.972 -0.650 1
1 127 . 19 1 1 A 15 15 ASP HA H 15 4.789 4.811 -0.022 1
1 130 . 19 1 1 A 15 15 ASP CB C 15 43.563 43.490 0.073 1
1 131 . 19 1 1 A 16 16 SER H H 16 8.796 8.808 -0.012 1
1 132 . 19 1 1 A 16 16 SER HA H 16 3.006 4.704 -1.698 1
1 135 . 19 1 1 A 16 16 SER CA C 16 61.150 62.007 -0.857 1
1 136 . 19 1 1 A 16 16 SER CB C 16 61.849 62.521 -0.672 1
1 137 . 19 1 1 A 17 17 ASN H H 17 8.281 8.340 -0.059 1
1 138 . 19 1 1 A 17 17 ASN HA H 17 4.679 4.581 0.098 1
1 143 . 19 1 1 A 17 17 ASN CA C 17 56.624 56.314 0.310 1
1 144 . 19 1 1 A 17 17 ASN CB C 17 38.066 39.124 -1.058 1
1 145 . 19 1 1 A 18 18 THR H H 18 9.130 8.149 0.981 1
1 146 . 19 1 1 A 18 18 THR HA H 18 3.888 4.034 -0.146 1
1 151 . 19 1 1 A 18 18 THR CA C 18 65.897 66.694 -0.797 1
1 152 . 19 1 1 A 18 18 THR CB C 18 67.277 68.992 -1.715 1
1 154 . 19 1 1 A 19 19 ALA H H 19 8.516 8.872 -0.356 1
1 155 . 19 1 1 A 19 19 ALA HA H 19 4.049 3.966 0.083 1
1 159 . 19 1 1 A 19 19 ALA CA C 19 55.280 55.385 -0.105 1
1 160 . 19 1 1 A 19 19 ALA CB C 19 19.411 19.008 0.403 1
1 161 . 19 1 1 A 20 20 TRP H H 20 9.036 8.690 0.346 1
1 162 . 19 1 1 A 20 20 TRP HA H 20 4.110 3.984 0.126 1
1 171 . 19 1 1 A 20 20 TRP CA C 20 61.191 61.564 -0.373 1
1 172 . 19 1 1 A 20 20 TRP CB C 20 28.615 29.560 -0.945 1
1 178 . 19 1 1 A 21 21 THR H H 21 8.630 8.366 0.264 1
1 179 . 19 1 1 A 21 21 THR HA H 21 3.650 4.209 -0.559 1
1 184 . 19 1 1 A 21 21 THR CA C 21 66.297 66.664 -0.367 1
1 185 . 19 1 1 A 21 21 THR CB C 21 68.329 68.714 -0.385 1
1 187 . 19 1 1 A 22 22 THR H H 22 8.509 8.354 0.155 1
1 188 . 19 1 1 A 22 22 THR HA H 22 3.605 3.766 -0.161 1
1 193 . 19 1 1 A 22 22 THR CA C 22 66.625 66.872 -0.247 1
1 194 . 19 1 1 A 22 22 THR CB C 22 67.818 68.200 -0.382 1
1 196 . 19 1 1 A 23 23 CYS H H 23 8.357 8.380 -0.023 1
1 197 . 19 1 1 A 23 23 CYS HA H 23 4.332 4.322 0.010 1
1 200 . 19 1 1 A 23 23 CYS CA C 23 57.046 57.708 -0.662 1
1 201 . 19 1 1 A 23 23 CYS CB C 23 40.331 41.252 -0.921 1
1 202 . 19 1 1 A 24 24 THR H H 24 7.178 7.353 -0.175 1
1 203 . 19 1 1 A 24 24 THR HA H 24 4.437 4.597 -0.160 1
1 208 . 19 1 1 A 24 24 THR CA C 24 60.381 60.974 -0.593 1
1 209 . 19 1 1 A 24 24 THR CB C 24 70.672 69.917 0.755 1
1 211 . 19 1 1 A 25 25 THR H H 25 7.220 7.094 0.126 1
1 212 . 19 1 1 A 25 25 THR HA H 25 5.154 5.135 0.019 1
1 217 . 19 1 1 A 25 25 THR CA C 25 59.059 58.927 0.132 1
1 218 . 19 1 1 A 25 25 THR CB C 25 69.107 70.974 -1.867 1
1 220 . 19 1 1 A 26 26 PRO HA H 26 4.549 4.609 -0.060 1
1 227 . 19 1 1 A 26 26 PRO CA C 26 64.733 63.231 1.502 1
1 228 . 19 1 1 A 26 26 PRO CB C 26 32.055 32.423 -0.368 1
1 231 . 19 1 1 A 27 27 GLY H H 27 9.118 8.185 0.933 1
1 232 . 19 1 1 A 27 27 GLY HA2 H 27 4.555 4.255 0.300 1
1 233 . 19 1 1 A 27 27 GLY HA3 H 27 3.937 4.255 -0.318 1
1 234 . 19 1 1 A 27 27 GLY CA C 27 43.918 45.233 -1.315 1
1 235 . 19 1 1 A 28 28 GLN H H 28 8.971 8.768 0.203 1
1 236 . 19 1 1 A 28 28 GLN HA H 28 4.167 4.196 -0.029 1
1 243 . 19 1 1 A 28 28 GLN CA C 28 58.650 57.934 0.716 1
1 244 . 19 1 1 A 28 28 GLN CB C 28 28.853 28.215 0.638 1
1 246 . 19 1 1 A 29 29 THR H H 29 8.533 7.630 0.903 1
1 247 . 19 1 1 A 29 29 THR HA H 29 4.499 4.609 -0.110 1
1 252 . 19 1 1 A 29 29 THR CA C 29 59.513 59.759 -0.246 1
1 253 . 19 1 1 A 29 29 THR CB C 29 68.879 68.996 -0.117 1
1 255 . 19 1 1 A 30 30 CYS H H 30 7.040 8.685 -1.645 1
1 256 . 19 1 1 A 30 30 CYS HA H 30 3.823 4.635 -0.812 1
1 259 . 19 1 1 A 30 30 CYS CA C 30 59.787 58.416 1.371 1
1 260 . 19 1 1 A 30 30 CYS CB C 30 41.483 28.147 13.336 1
1 261 . 19 1 1 A 31 31 TYR H H 31 9.732 8.522 1.210 1
1 262 . 19 1 1 A 31 31 TYR HA H 31 3.780 3.919 -0.139 1
1 269 . 19 1 1 A 31 31 TYR CA C 31 64.210 61.788 2.422 1
1 270 . 19 1 1 A 31 31 TYR CB C 31 39.118 38.599 0.519 1
1 273 . 19 1 1 A 32 32 THR H H 32 9.792 8.090 1.702 1
1 274 . 19 1 1 A 32 32 THR HA H 32 4.050 3.755 0.295 1
1 279 . 19 1 1 A 32 32 THR CA C 32 66.055 66.199 -0.144 1
1 280 . 19 1 1 A 32 32 THR CB C 32 68.541 67.948 0.593 1
1 282 . 19 1 1 A 33 33 CYS H H 33 8.845 8.603 0.242 1
1 283 . 19 1 1 A 33 33 CYS HA H 33 4.948 4.022 0.926 1
1 286 . 19 1 1 A 33 33 CYS CB C 33 37.503 41.209 -3.706 1
1 287 . 19 1 1 A 34 34 CYS H H 34 8.129 8.003 0.126 1
1 288 . 19 1 1 A 34 34 CYS HA H 34 4.718 3.942 0.776 1
1 291 . 19 1 1 A 34 34 CYS CB C 34 33.988 41.185 -7.197 1
1 292 . 19 1 1 A 35 35 SER H H 35 7.542 7.650 -0.108 1
1 293 . 19 1 1 A 35 35 SER HA H 35 4.404 4.087 0.317 1
1 296 . 19 1 1 A 35 35 SER CA C 35 59.877 61.614 -1.737 1
1 297 . 19 1 1 A 35 35 SER CB C 35 63.139 63.043 0.096 1
1 298 . 19 1 1 A 36 36 SER H H 36 7.129 7.506 -0.377 1
1 299 . 19 1 1 A 36 36 SER HA H 36 4.692 4.610 0.082 1
1 302 . 19 1 1 A 36 36 SER CB C 36 62.611 60.802 1.809 1
1 303 . 19 1 1 A 37 37 CYS H H 37 7.752 8.061 -0.309 1
1 304 . 19 1 1 A 37 37 CYS HA H 37 4.464 4.867 -0.403 1
1 307 . 19 1 1 A 37 37 CYS CA C 37 59.010 57.813 1.197 1
1 308 . 19 1 1 A 37 37 CYS CB C 37 48.093 45.499 2.594 1
1 309 . 19 1 1 A 38 38 PHE H H 38 7.013 8.060 -1.047 1
1 310 . 19 1 1 A 38 38 PHE HA H 38 5.633 5.272 0.361 1
1 317 . 19 1 1 A 38 38 PHE CA C 38 55.379 57.193 -1.814 1
1 318 . 19 1 1 A 38 38 PHE CB C 38 42.836 42.677 0.159 1
1 322 . 19 1 1 A 39 39 ASP H H 39 8.871 8.806 0.065 1
1 323 . 19 1 1 A 39 39 ASP HA H 39 4.392 4.708 -0.316 1
1 326 . 19 1 1 A 39 39 ASP CA C 39 52.467 54.483 -2.016 1
1 327 . 19 1 1 A 39 39 ASP CB C 39 39.511 42.056 -2.545 1
1 328 . 19 1 1 A 40 40 VAL H H 40 8.003 8.562 -0.559 1
1 329 . 19 1 1 A 40 40 VAL HA H 40 3.985 3.651 0.334 1
1 337 . 19 1 1 A 40 40 VAL CA C 40 65.558 65.489 0.069 1
1 338 . 19 1 1 A 40 40 VAL CB C 40 29.014 31.824 -2.810 1
1 341 . 19 1 1 A 41 41 VAL H H 41 7.493 8.127 -0.634 1
1 342 . 19 1 1 A 41 41 VAL HA H 41 3.528 3.422 0.106 1
1 350 . 19 1 1 A 41 41 VAL CA C 41 65.014 65.905 -0.891 1
1 351 . 19 1 1 A 41 41 VAL CB C 41 31.518 31.213 0.305 1
1 354 . 19 1 1 A 42 42 GLY H H 42 8.730 7.866 0.864 1
1 355 . 19 1 1 A 42 42 GLY HA2 H 42 2.573 2.970 -0.397 1
1 356 . 19 1 1 A 42 42 GLY HA3 H 42 3.224 3.990 -0.766 1
1 357 . 19 1 1 A 42 42 GLY CA C 42 47.496 46.672 0.824 1
1 358 . 19 1 1 A 43 43 GLU H H 43 10.197 8.774 1.423 1
1 359 . 19 1 1 A 43 43 GLU HA H 43 3.776 4.053 -0.277 1
1 364 . 19 1 1 A 43 43 GLU CA C 43 58.892 59.548 -0.656 1
1 365 . 19 1 1 A 43 43 GLU CB C 43 29.300 29.369 -0.069 1
1 367 . 19 1 1 A 44 44 GLN H H 44 6.648 7.796 -1.148 1
1 368 . 19 1 1 A 44 44 GLN HA H 44 4.028 3.962 0.066 1
1 375 . 19 1 1 A 44 44 GLN CA C 44 57.875 58.448 -0.573 1
1 376 . 19 1 1 A 44 44 GLN CB C 44 27.790 28.658 -0.868 1
1 378 . 19 1 1 A 45 45 ALA H H 45 7.131 7.448 -0.317 1
1 379 . 19 1 1 A 45 45 ALA HA H 45 4.076 4.029 0.047 1
1 383 . 19 1 1 A 45 45 ALA CA C 45 54.601 54.929 -0.328 1
1 384 . 19 1 1 A 45 45 ALA CB C 45 17.623 17.831 -0.208 1
1 385 . 19 1 1 A 46 46 CYS H H 46 8.934 8.022 0.912 1
1 386 . 19 1 1 A 46 46 CYS HA H 46 3.116 3.160 -0.044 1
1 389 . 19 1 1 A 46 46 CYS CA C 46 58.321 58.507 -0.186 1
1 390 . 19 1 1 A 47 47 GLN H H 47 8.360 8.170 0.190 1
1 391 . 19 1 1 A 47 47 GLN HA H 47 3.352 3.703 -0.351 1
1 398 . 19 1 1 A 47 47 GLN CA C 47 58.364 58.916 -0.552 1
1 399 . 19 1 1 A 47 47 GLN CB C 47 26.924 27.937 -1.013 1
1 401 . 19 1 1 A 48 48 MET H H 48 8.112 8.134 -0.022 1
1 402 . 19 1 1 A 48 48 MET HA H 48 4.379 4.317 0.062 1
1 407 . 19 1 1 A 48 48 MET CA C 48 57.081 57.076 0.005 1
1 408 . 19 1 1 A 48 48 MET CB C 48 31.934 31.860 0.074 1
1 410 . 19 1 1 A 49 49 SER H H 49 7.672 8.174 -0.502 1
1 411 . 19 1 1 A 49 49 SER HA H 49 4.536 4.661 -0.125 1
1 414 . 19 1 1 A 49 49 SER CA C 49 59.206 58.264 0.942 1
1 415 . 19 1 1 A 49 49 SER CB C 49 63.792 63.897 -0.105 1
1 416 . 19 1 1 A 50 50 ALA H H 50 7.602 6.988 0.614 1
1 417 . 19 1 1 A 50 50 ALA HA H 50 4.187 4.387 -0.200 1
1 421 . 19 1 1 A 50 50 ALA CA C 50 52.637 51.196 1.441 1
1 422 . 19 1 1 A 50 50 ALA CB C 50 17.896 19.563 -1.667 1
1 423 . 19 1 1 A 51 51 GLN H H 51 8.004 8.319 -0.315 1
1 424 . 19 1 1 A 51 51 GLN HA H 51 4.584 4.989 -0.405 1
1 431 . 19 1 1 A 51 51 GLN CA C 51 54.256 54.899 -0.643 1
1 432 . 19 1 1 A 51 51 GLN CB C 51 28.525 29.321 -0.796 1
1 8 . 20 1 1 A 2 2 PRO HA H 2 3.996 4.492 -0.496 1
1 15 . 20 1 1 A 2 2 PRO CA C 2 66.442 64.707 1.735 1
1 16 . 20 1 1 A 2 2 PRO CB C 2 30.824 31.867 -1.043 1
1 19 . 20 1 1 A 3 3 GLU H H 3 8.359 8.339 0.020 1
1 20 . 20 1 1 A 3 3 GLU HA H 3 4.085 4.117 -0.032 1
1 25 . 20 1 1 A 3 3 GLU CA C 3 58.481 59.364 -0.883 1
1 26 . 20 1 1 A 3 3 GLU CB C 3 28.167 29.074 -0.907 1
1 28 . 20 1 1 A 4 4 ASP H H 4 7.555 7.639 -0.084 1
1 29 . 20 1 1 A 4 4 ASP HA H 4 4.379 4.390 -0.011 1
1 32 . 20 1 1 A 4 4 ASP CA C 4 55.752 56.376 -0.624 1
1 33 . 20 1 1 A 4 4 ASP CB C 4 40.237 40.404 -0.167 1
1 34 . 20 1 1 A 5 5 TRP H H 5 7.357 7.969 -0.612 1
1 35 . 20 1 1 A 5 5 TRP HA H 5 5.331 4.941 0.390 1
1 44 . 20 1 1 A 5 5 TRP CA C 5 54.949 57.127 -2.178 1
1 45 . 20 1 1 A 5 5 TRP CB C 5 31.983 29.867 2.116 1
1 51 . 20 1 1 A 6 6 PHE H H 6 7.664 7.863 -0.199 1
1 52 . 20 1 1 A 6 6 PHE HA H 6 5.144 4.210 0.934 1
1 60 . 20 1 1 A 6 6 PHE CB C 6 39.765 39.786 -0.021 1
1 64 . 20 1 1 A 7 7 THR H H 7 8.099 7.838 0.261 1
1 65 . 20 1 1 A 7 7 THR HA H 7 4.628 4.818 -0.190 1
1 70 . 20 1 1 A 7 7 THR CA C 7 53.988 58.642 -4.654 1
1 71 . 20 1 1 A 7 7 THR CB C 7 69.001 69.336 -0.335 1
1 73 . 20 1 1 A 8 8 PRO HA H 8 3.311 3.999 -0.688 1
1 80 . 20 1 1 A 8 8 PRO CA C 8 63.015 64.341 -1.326 1
1 81 . 20 1 1 A 8 8 PRO CB C 8 31.169 31.674 -0.505 1
1 84 . 20 1 1 A 9 9 ASP H H 9 8.798 8.479 0.319 1
1 85 . 20 1 1 A 9 9 ASP HA H 9 4.249 4.439 -0.190 1
1 88 . 20 1 1 A 9 9 ASP CA C 9 56.899 55.944 0.955 1
1 89 . 20 1 1 A 9 9 ASP CB C 9 39.412 40.459 -1.047 1
1 90 . 20 1 1 A 10 10 THR H H 10 6.936 7.215 -0.279 1
1 91 . 20 1 1 A 10 10 THR HA H 10 4.405 4.499 -0.094 1
1 96 . 20 1 1 A 10 10 THR CA C 10 59.512 61.050 -1.538 1
1 97 . 20 1 1 A 10 10 THR CB C 10 68.463 70.337 -1.874 1
1 99 . 20 1 1 A 11 11 CYS H H 11 7.158 7.536 -0.378 1
1 100 . 20 1 1 A 11 11 CYS HA H 11 4.563 4.738 -0.175 1
1 103 . 20 1 1 A 11 11 CYS CB C 11 40.355 44.995 -4.640 1
1 104 . 20 1 1 A 12 12 ALA H H 12 8.807 8.530 0.277 1
1 105 . 20 1 1 A 12 12 ALA HA H 12 3.909 4.320 -0.411 1
1 109 . 20 1 1 A 12 12 ALA CA C 12 52.884 51.840 1.044 1
1 110 . 20 1 1 A 12 12 ALA CB C 12 17.564 18.612 -1.048 1
1 111 . 20 1 1 A 13 13 TYR H H 13 7.510 7.528 -0.018 1
1 112 . 20 1 1 A 13 13 TYR HA H 13 4.841 5.161 -0.320 1
1 119 . 20 1 1 A 13 13 TYR CB C 13 38.900 43.014 -4.114 1
1 122 . 20 1 1 A 14 14 GLY H H 14 9.002 9.066 -0.064 1
1 123 . 20 1 1 A 14 14 GLY HA2 H 14 4.144 4.042 0.102 1
1 124 . 20 1 1 A 14 14 GLY HA3 H 14 3.971 4.156 -0.185 1
1 125 . 20 1 1 A 14 14 GLY CA C 14 46.044 46.104 -0.060 1
1 126 . 20 1 1 A 15 15 ASP H H 15 7.322 7.678 -0.356 1
1 127 . 20 1 1 A 15 15 ASP HA H 15 4.789 4.925 -0.136 1
1 130 . 20 1 1 A 15 15 ASP CB C 15 43.563 44.476 -0.913 1
1 131 . 20 1 1 A 16 16 SER H H 16 8.796 8.608 0.188 1
1 132 . 20 1 1 A 16 16 SER HA H 16 3.006 4.372 -1.366 1
1 135 . 20 1 1 A 16 16 SER CA C 16 61.150 61.761 -0.611 1
1 136 . 20 1 1 A 16 16 SER CB C 16 61.849 62.491 -0.642 1
1 137 . 20 1 1 A 17 17 ASN H H 17 8.281 8.028 0.253 1
1 138 . 20 1 1 A 17 17 ASN HA H 17 4.679 4.577 0.102 1
1 143 . 20 1 1 A 17 17 ASN CA C 17 56.624 56.529 0.095 1
1 144 . 20 1 1 A 17 17 ASN CB C 17 38.066 38.923 -0.857 1
1 145 . 20 1 1 A 18 18 THR H H 18 9.130 8.150 0.980 1
1 146 . 20 1 1 A 18 18 THR HA H 18 3.888 3.927 -0.039 1
1 151 . 20 1 1 A 18 18 THR CA C 18 65.897 66.059 -0.162 1
1 152 . 20 1 1 A 18 18 THR CB C 18 67.277 68.339 -1.062 1
1 154 . 20 1 1 A 19 19 ALA H H 19 8.516 8.334 0.182 1
1 155 . 20 1 1 A 19 19 ALA HA H 19 4.049 3.890 0.159 1
1 159 . 20 1 1 A 19 19 ALA CA C 19 55.280 55.209 0.071 1
1 160 . 20 1 1 A 19 19 ALA CB C 19 19.411 19.014 0.397 1
1 161 . 20 1 1 A 20 20 TRP H H 20 9.036 8.697 0.339 1
1 162 . 20 1 1 A 20 20 TRP HA H 20 4.110 4.406 -0.296 1
1 171 . 20 1 1 A 20 20 TRP CA C 20 61.191 61.816 -0.625 1
1 172 . 20 1 1 A 20 20 TRP CB C 20 28.615 29.569 -0.954 1
1 178 . 20 1 1 A 21 21 THR H H 21 8.630 8.709 -0.079 1
1 179 . 20 1 1 A 21 21 THR HA H 21 3.650 4.093 -0.443 1
1 184 . 20 1 1 A 21 21 THR CA C 21 66.297 66.639 -0.342 1
1 185 . 20 1 1 A 21 21 THR CB C 21 68.329 68.794 -0.465 1
1 187 . 20 1 1 A 22 22 THR H H 22 8.509 8.062 0.447 1
1 188 . 20 1 1 A 22 22 THR HA H 22 3.605 3.689 -0.084 1
1 193 . 20 1 1 A 22 22 THR CA C 22 66.625 66.820 -0.195 1
1 194 . 20 1 1 A 22 22 THR CB C 22 67.818 68.006 -0.188 1
1 196 . 20 1 1 A 23 23 CYS H H 23 8.357 8.472 -0.115 1
1 197 . 20 1 1 A 23 23 CYS HA H 23 4.332 4.323 0.009 1
1 200 . 20 1 1 A 23 23 CYS CA C 23 57.046 58.148 -1.102 1
1 201 . 20 1 1 A 23 23 CYS CB C 23 40.331 41.638 -1.307 1
1 202 . 20 1 1 A 24 24 THR H H 24 7.178 7.329 -0.151 1
1 203 . 20 1 1 A 24 24 THR HA H 24 4.437 4.646 -0.209 1
1 208 . 20 1 1 A 24 24 THR CA C 24 60.381 60.882 -0.501 1
1 209 . 20 1 1 A 24 24 THR CB C 24 70.672 69.265 1.407 1
1 211 . 20 1 1 A 25 25 THR H H 25 7.220 7.314 -0.094 1
1 212 . 20 1 1 A 25 25 THR HA H 25 5.154 5.130 0.024 1
1 217 . 20 1 1 A 25 25 THR CA C 25 59.059 58.655 0.404 1
1 218 . 20 1 1 A 25 25 THR CB C 25 69.107 70.733 -1.626 1
1 220 . 20 1 1 A 26 26 PRO HA H 26 4.549 4.819 -0.270 1
1 227 . 20 1 1 A 26 26 PRO CA C 26 64.733 62.636 2.097 1
1 228 . 20 1 1 A 26 26 PRO CB C 26 32.055 31.641 0.414 1
1 231 . 20 1 1 A 27 27 GLY H H 27 9.118 7.954 1.164 1
1 232 . 20 1 1 A 27 27 GLY HA2 H 27 4.555 4.257 0.298 1
1 233 . 20 1 1 A 27 27 GLY HA3 H 27 3.937 4.265 -0.328 1
1 234 . 20 1 1 A 27 27 GLY CA C 27 43.918 45.515 -1.597 1
1 235 . 20 1 1 A 28 28 GLN H H 28 8.971 8.840 0.131 1
1 236 . 20 1 1 A 28 28 GLN HA H 28 4.167 4.210 -0.043 1
1 243 . 20 1 1 A 28 28 GLN CA C 28 58.650 58.613 0.037 1
1 244 . 20 1 1 A 28 28 GLN CB C 28 28.853 28.041 0.812 1
1 246 . 20 1 1 A 29 29 THR H H 29 8.533 7.897 0.636 1
1 247 . 20 1 1 A 29 29 THR HA H 29 4.499 4.665 -0.166 1
1 252 . 20 1 1 A 29 29 THR CA C 29 59.513 60.192 -0.679 1
1 253 . 20 1 1 A 29 29 THR CB C 29 68.879 69.777 -0.898 1
1 255 . 20 1 1 A 30 30 CYS H H 30 7.040 8.610 -1.570 1
1 256 . 20 1 1 A 30 30 CYS HA H 30 3.823 4.761 -0.938 1
1 259 . 20 1 1 A 30 30 CYS CA C 30 59.787 58.625 1.162 1
1 260 . 20 1 1 A 30 30 CYS CB C 30 41.483 28.222 13.261 1
1 261 . 20 1 1 A 31 31 TYR H H 31 9.732 8.540 1.192 1
1 262 . 20 1 1 A 31 31 TYR HA H 31 3.780 4.017 -0.237 1
1 269 . 20 1 1 A 31 31 TYR CA C 31 64.210 61.752 2.458 1
1 270 . 20 1 1 A 31 31 TYR CB C 31 39.118 38.592 0.526 1
1 273 . 20 1 1 A 32 32 THR H H 32 9.792 7.923 1.869 1
1 274 . 20 1 1 A 32 32 THR HA H 32 4.050 3.949 0.101 1
1 279 . 20 1 1 A 32 32 THR CA C 32 66.055 66.111 -0.056 1
1 280 . 20 1 1 A 32 32 THR CB C 32 68.541 68.279 0.262 1
1 282 . 20 1 1 A 33 33 CYS H H 33 8.845 8.616 0.229 1
1 283 . 20 1 1 A 33 33 CYS HA H 33 4.948 4.170 0.778 1
1 286 . 20 1 1 A 33 33 CYS CB C 33 37.503 41.734 -4.231 1
1 287 . 20 1 1 A 34 34 CYS H H 34 8.129 7.723 0.406 1
1 288 . 20 1 1 A 34 34 CYS HA H 34 4.718 4.213 0.505 1
1 291 . 20 1 1 A 34 34 CYS CB C 34 33.988 41.424 -7.436 1
1 292 . 20 1 1 A 35 35 SER H H 35 7.542 7.928 -0.386 1
1 293 . 20 1 1 A 35 35 SER HA H 35 4.404 4.215 0.189 1
1 296 . 20 1 1 A 35 35 SER CA C 35 59.877 61.546 -1.669 1
1 297 . 20 1 1 A 35 35 SER CB C 35 63.139 63.154 -0.015 1
1 298 . 20 1 1 A 36 36 SER H H 36 7.129 8.082 -0.953 1
1 299 . 20 1 1 A 36 36 SER HA H 36 4.692 4.278 0.414 1
1 302 . 20 1 1 A 36 36 SER CB C 36 62.611 62.099 0.512 1
1 303 . 20 1 1 A 37 37 CYS H H 37 7.752 8.262 -0.510 1
1 304 . 20 1 1 A 37 37 CYS HA H 37 4.464 4.615 -0.151 1
1 307 . 20 1 1 A 37 37 CYS CA C 37 59.010 56.187 2.823 1
1 308 . 20 1 1 A 37 37 CYS CB C 37 48.093 44.631 3.462 1
1 309 . 20 1 1 A 38 38 PHE H H 38 7.013 7.988 -0.975 1
1 310 . 20 1 1 A 38 38 PHE HA H 38 5.633 5.339 0.294 1
1 317 . 20 1 1 A 38 38 PHE CA C 38 55.379 56.713 -1.334 1
1 318 . 20 1 1 A 38 38 PHE CB C 38 42.836 43.460 -0.624 1
1 322 . 20 1 1 A 39 39 ASP H H 39 8.871 8.660 0.211 1
1 323 . 20 1 1 A 39 39 ASP HA H 39 4.392 4.714 -0.322 1
1 326 . 20 1 1 A 39 39 ASP CA C 39 52.467 54.512 -2.045 1
1 327 . 20 1 1 A 39 39 ASP CB C 39 39.511 42.122 -2.611 1
1 328 . 20 1 1 A 40 40 VAL H H 40 8.003 8.499 -0.496 1
1 329 . 20 1 1 A 40 40 VAL HA H 40 3.985 3.757 0.228 1
1 337 . 20 1 1 A 40 40 VAL CA C 40 65.558 65.364 0.194 1
1 338 . 20 1 1 A 40 40 VAL CB C 40 29.014 31.638 -2.624 1
1 341 . 20 1 1 A 41 41 VAL H H 41 7.493 7.813 -0.320 1
1 342 . 20 1 1 A 41 41 VAL HA H 41 3.528 3.426 0.102 1
1 350 . 20 1 1 A 41 41 VAL CA C 41 65.014 65.885 -0.871 1
1 351 . 20 1 1 A 41 41 VAL CB C 41 31.518 30.982 0.536 1
1 354 . 20 1 1 A 42 42 GLY H H 42 8.730 8.003 0.727 1
1 355 . 20 1 1 A 42 42 GLY HA2 H 42 2.573 3.365 -0.792 1
1 356 . 20 1 1 A 42 42 GLY HA3 H 42 3.224 3.830 -0.606 1
1 357 . 20 1 1 A 42 42 GLY CA C 42 47.496 46.571 0.925 1
1 358 . 20 1 1 A 43 43 GLU H H 43 10.197 8.700 1.497 1
1 359 . 20 1 1 A 43 43 GLU HA H 43 3.776 4.152 -0.376 1
1 364 . 20 1 1 A 43 43 GLU CA C 43 58.892 59.504 -0.612 1
1 365 . 20 1 1 A 43 43 GLU CB C 43 29.300 29.359 -0.059 1
1 367 . 20 1 1 A 44 44 GLN H H 44 6.648 8.067 -1.419 1
1 368 . 20 1 1 A 44 44 GLN HA H 44 4.028 4.002 0.026 1
1 375 . 20 1 1 A 44 44 GLN CA C 44 57.875 58.219 -0.344 1
1 376 . 20 1 1 A 44 44 GLN CB C 44 27.790 28.433 -0.643 1
1 378 . 20 1 1 A 45 45 ALA H H 45 7.131 7.900 -0.769 1
1 379 . 20 1 1 A 45 45 ALA HA H 45 4.076 3.994 0.082 1
1 383 . 20 1 1 A 45 45 ALA CA C 45 54.601 54.977 -0.376 1
1 384 . 20 1 1 A 45 45 ALA CB C 45 17.623 18.280 -0.657 1
1 385 . 20 1 1 A 46 46 CYS H H 46 8.934 8.225 0.709 1
1 386 . 20 1 1 A 46 46 CYS HA H 46 3.116 3.257 -0.141 1
1 389 . 20 1 1 A 46 46 CYS CA C 46 58.321 59.130 -0.809 1
1 390 . 20 1 1 A 47 47 GLN H H 47 8.360 8.280 0.080 1
1 391 . 20 1 1 A 47 47 GLN HA H 47 3.352 3.733 -0.381 1
1 398 . 20 1 1 A 47 47 GLN CA C 47 58.364 58.309 0.055 1
1 399 . 20 1 1 A 47 47 GLN CB C 47 26.924 27.812 -0.888 1
1 401 . 20 1 1 A 48 48 MET H H 48 8.112 7.871 0.241 1
1 402 . 20 1 1 A 48 48 MET HA H 48 4.379 4.387 -0.008 1
1 407 . 20 1 1 A 48 48 MET CA C 48 57.081 56.911 0.170 1
1 408 . 20 1 1 A 48 48 MET CB C 48 31.934 32.544 -0.610 1
1 410 . 20 1 1 A 49 49 SER H H 49 7.672 7.597 0.075 1
1 411 . 20 1 1 A 49 49 SER HA H 49 4.536 4.582 -0.046 1
1 414 . 20 1 1 A 49 49 SER CA C 49 59.206 58.732 0.474 1
1 415 . 20 1 1 A 49 49 SER CB C 49 63.792 64.486 -0.694 1
1 416 . 20 1 1 A 50 50 ALA H H 50 7.602 7.488 0.114 1
1 417 . 20 1 1 A 50 50 ALA HA H 50 4.187 4.177 0.010 1
1 421 . 20 1 1 A 50 50 ALA CA C 50 52.637 52.612 0.025 1
1 422 . 20 1 1 A 50 50 ALA CB C 50 17.896 19.910 -2.014 1
1 423 . 20 1 1 A 51 51 GLN H H 51 8.004 8.640 -0.636 1
1 424 . 20 1 1 A 51 51 GLN HA H 51 4.584 5.117 -0.533 1
1 431 . 20 1 1 A 51 51 GLN CA C 51 54.256 54.789 -0.533 1
1 432 . 20 1 1 A 51 51 GLN CB C 51 28.525 32.153 -3.628 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 43 1.475 1
3 1 1 1 "RMS(OBS, PRED)" CB 46 2.773 1
4 1 1 1 "RMS(OBS, PRED)" H 47 0.678 1
5 1 1 1 "RMS(OBS, PRED)" HA 53 0.386 1
6 1 1 1 "RMS(OBS, PRED)" N 0 0.000 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 43 1.358 1
9 1 2 1 "RMS(OBS, PRED)" CB 46 2.747 1
10 1 2 1 "RMS(OBS, PRED)" H 47 0.694 1
11 1 2 1 "RMS(OBS, PRED)" HA 53 0.439 1
12 1 2 1 "RMS(OBS, PRED)" N 0 0.000 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 43 1.454 1
15 1 3 1 "RMS(OBS, PRED)" CB 46 2.781 1
16 1 3 1 "RMS(OBS, PRED)" H 47 0.675 1
17 1 3 1 "RMS(OBS, PRED)" HA 53 0.441 1
18 1 3 1 "RMS(OBS, PRED)" N 0 0.000 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 43 1.498 1
21 1 4 1 "RMS(OBS, PRED)" CB 46 2.783 1
22 1 4 1 "RMS(OBS, PRED)" H 47 0.672 1
23 1 4 1 "RMS(OBS, PRED)" HA 53 0.385 1
24 1 4 1 "RMS(OBS, PRED)" N 0 0.000 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 43 1.395 1
27 1 5 1 "RMS(OBS, PRED)" CB 46 2.821 1
28 1 5 1 "RMS(OBS, PRED)" H 47 0.666 1
29 1 5 1 "RMS(OBS, PRED)" HA 53 0.405 1
30 1 5 1 "RMS(OBS, PRED)" N 0 0.000 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 43 1.413 1
33 1 6 1 "RMS(OBS, PRED)" CB 46 2.705 1
34 1 6 1 "RMS(OBS, PRED)" H 47 0.698 1
35 1 6 1 "RMS(OBS, PRED)" HA 53 0.481 1
36 1 6 1 "RMS(OBS, PRED)" N 0 0.000 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 43 1.433 1
39 1 7 1 "RMS(OBS, PRED)" CB 46 2.748 1
40 1 7 1 "RMS(OBS, PRED)" H 47 0.693 1
41 1 7 1 "RMS(OBS, PRED)" HA 53 0.408 1
42 1 7 1 "RMS(OBS, PRED)" N 0 0.000 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 43 1.360 1
45 1 8 1 "RMS(OBS, PRED)" CB 46 2.776 1
46 1 8 1 "RMS(OBS, PRED)" H 47 0.721 1
47 1 8 1 "RMS(OBS, PRED)" HA 53 0.440 1
48 1 8 1 "RMS(OBS, PRED)" N 0 0.000 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 43 1.307 1
51 1 9 1 "RMS(OBS, PRED)" CB 46 2.727 1
52 1 9 1 "RMS(OBS, PRED)" H 47 0.668 1
53 1 9 1 "RMS(OBS, PRED)" HA 53 0.396 1
54 1 9 1 "RMS(OBS, PRED)" N 0 0.000 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 43 1.460 1
57 1 10 1 "RMS(OBS, PRED)" CB 46 2.566 1
58 1 10 1 "RMS(OBS, PRED)" H 47 0.679 1
59 1 10 1 "RMS(OBS, PRED)" HA 53 0.479 1
60 1 10 1 "RMS(OBS, PRED)" N 0 0.000 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 43 1.331 1
63 1 11 1 "RMS(OBS, PRED)" CB 46 2.670 1
64 1 11 1 "RMS(OBS, PRED)" H 47 0.695 1
65 1 11 1 "RMS(OBS, PRED)" HA 53 0.484 1
66 1 11 1 "RMS(OBS, PRED)" N 0 0.000 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 43 1.393 1
69 1 12 1 "RMS(OBS, PRED)" CB 46 2.622 1
70 1 12 1 "RMS(OBS, PRED)" H 47 0.671 1
71 1 12 1 "RMS(OBS, PRED)" HA 53 0.465 1
72 1 12 1 "RMS(OBS, PRED)" N 0 0.000 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 43 1.466 1
75 1 13 1 "RMS(OBS, PRED)" CB 46 2.612 1
76 1 13 1 "RMS(OBS, PRED)" H 47 0.629 1
77 1 13 1 "RMS(OBS, PRED)" HA 53 0.440 1
78 1 13 1 "RMS(OBS, PRED)" N 0 0.000 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 43 1.491 1
81 1 14 1 "RMS(OBS, PRED)" CB 46 2.615 1
82 1 14 1 "RMS(OBS, PRED)" H 47 0.633 1
83 1 14 1 "RMS(OBS, PRED)" HA 53 0.366 1
84 1 14 1 "RMS(OBS, PRED)" N 0 0.000 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 43 1.486 1
87 1 15 1 "RMS(OBS, PRED)" CB 46 2.622 1
88 1 15 1 "RMS(OBS, PRED)" H 47 0.606 1
89 1 15 1 "RMS(OBS, PRED)" HA 53 0.394 1
90 1 15 1 "RMS(OBS, PRED)" N 0 0.000 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 43 1.456 1
93 1 16 1 "RMS(OBS, PRED)" CB 46 2.516 1
94 1 16 1 "RMS(OBS, PRED)" H 47 0.632 1
95 1 16 1 "RMS(OBS, PRED)" HA 53 0.423 1
96 1 16 1 "RMS(OBS, PRED)" N 0 0.000 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 43 1.352 1
99 1 17 1 "RMS(OBS, PRED)" CB 46 2.741 1
100 1 17 1 "RMS(OBS, PRED)" H 47 0.682 1
101 1 17 1 "RMS(OBS, PRED)" HA 53 0.392 1
102 1 17 1 "RMS(OBS, PRED)" N 0 0.000 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 43 1.473 1
105 1 18 1 "RMS(OBS, PRED)" CB 46 2.718 1
106 1 18 1 "RMS(OBS, PRED)" H 47 0.659 1
107 1 18 1 "RMS(OBS, PRED)" HA 53 0.460 1
108 1 18 1 "RMS(OBS, PRED)" N 0 0.000 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 43 1.305 1
111 1 19 1 "RMS(OBS, PRED)" CB 46 2.686 1
112 1 19 1 "RMS(OBS, PRED)" H 47 0.652 1
113 1 19 1 "RMS(OBS, PRED)" HA 53 0.473 1
114 1 19 1 "RMS(OBS, PRED)" N 0 0.000 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 43 1.330 1
117 1 20 1 "RMS(OBS, PRED)" CB 46 2.825 1
118 1 20 1 "RMS(OBS, PRED)" H 47 0.674 1
119 1 20 1 "RMS(OBS, PRED)" HA 53 0.406 1
120 1 20 1 "RMS(OBS, PRED)" N 0 0.000 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 8 . 1 1 A 2 2 PRO HA H 2 3.996 4.594 -0.598 2
1 15 . 1 1 A 2 2 PRO CA C 2 66.442 64.215 2.227 2
1 16 . 1 1 A 2 2 PRO CB C 2 30.824 31.661 -0.837 2
1 19 . 1 1 A 3 3 GLU H H 3 8.359 8.173 0.186 2
1 20 . 1 1 A 3 3 GLU HA H 3 4.085 4.103 -0.018 2
1 25 . 1 1 A 3 3 GLU CA C 3 58.481 58.651 -0.170 2
1 26 . 1 1 A 3 3 GLU CB C 3 28.167 29.209 -1.042 2
1 28 . 1 1 A 4 4 ASP H H 4 7.555 7.713 -0.158 2
1 29 . 1 1 A 4 4 ASP HA H 4 4.379 4.354 0.025 2
1 32 . 1 1 A 4 4 ASP CA C 4 55.752 56.131 -0.379 2
1 33 . 1 1 A 4 4 ASP CB C 4 40.237 40.639 -0.402 2
1 34 . 1 1 A 5 5 TRP H H 5 7.357 7.620 -0.263 2
1 35 . 1 1 A 5 5 TRP HA H 5 5.331 4.818 0.513 2
1 44 . 1 1 A 5 5 TRP CA C 5 54.949 57.083 -2.134 2
1 45 . 1 1 A 5 5 TRP CB C 5 31.983 29.709 2.274 2
1 51 . 1 1 A 6 6 PHE H H 6 7.664 7.552 0.112 2
1 52 . 1 1 A 6 6 PHE HA H 6 5.144 4.129 1.015 2
1 60 . 1 1 A 6 6 PHE CB C 6 39.765 39.312 0.453 2
1 64 . 1 1 A 7 7 THR H H 7 8.099 7.958 0.141 2
1 65 . 1 1 A 7 7 THR HA H 7 4.628 4.809 -0.181 2
1 70 . 1 1 A 7 7 THR CA C 7 53.988 58.550 -4.562 2
1 71 . 1 1 A 7 7 THR CB C 7 69.001 69.667 -0.666 2
1 73 . 1 1 A 8 8 PRO HA H 8 3.311 4.113 -0.802 2
1 80 . 1 1 A 8 8 PRO CA C 8 63.015 64.204 -1.189 2
1 81 . 1 1 A 8 8 PRO CB C 8 31.169 31.716 -0.547 2
1 84 . 1 1 A 9 9 ASP H H 9 8.798 8.502 0.295 2
1 85 . 1 1 A 9 9 ASP HA H 9 4.249 4.357 -0.108 2
1 88 . 1 1 A 9 9 ASP CA C 9 56.899 56.614 0.285 2
1 89 . 1 1 A 9 9 ASP CB C 9 39.412 40.571 -1.159 2
1 90 . 1 1 A 10 10 THR H H 10 6.936 7.511 -0.575 2
1 91 . 1 1 A 10 10 THR HA H 10 4.405 4.370 0.035 2
1 96 . 1 1 A 10 10 THR CA C 10 59.512 62.225 -2.713 2
1 97 . 1 1 A 10 10 THR CB C 10 68.463 69.713 -1.250 2
1 99 . 1 1 A 11 11 CYS H H 11 7.158 7.456 -0.298 2
1 100 . 1 1 A 11 11 CYS HA H 11 4.563 4.755 -0.192 2
1 103 . 1 1 A 11 11 CYS CB C 11 40.355 44.594 -4.239 2
1 104 . 1 1 A 12 12 ALA H H 12 8.807 8.652 0.155 2
1 105 . 1 1 A 12 12 ALA HA H 12 3.909 4.336 -0.427 2
1 109 . 1 1 A 12 12 ALA CA C 12 52.884 52.508 0.376 2
1 110 . 1 1 A 12 12 ALA CB C 12 17.564 18.902 -1.338 2
1 111 . 1 1 A 13 13 TYR H H 13 7.510 7.675 -0.165 2
1 112 . 1 1 A 13 13 TYR HA H 13 4.841 5.058 -0.217 2
1 119 . 1 1 A 13 13 TYR CB C 13 38.900 41.708 -2.808 2
1 122 . 1 1 A 14 14 GLY H H 14 9.002 8.803 0.199 2
1 123 . 1 1 A 14 14 GLY HA2 H 14 4.144 4.108 0.036 2
1 124 . 1 1 A 14 14 GLY HA3 H 14 3.971 4.269 -0.298 2
1 125 . 1 1 A 14 14 GLY CA C 14 46.044 45.759 0.285 2
1 126 . 1 1 A 15 15 ASP H H 15 7.322 7.835 -0.513 2
1 127 . 1 1 A 15 15 ASP HA H 15 4.789 4.768 0.021 2
1 130 . 1 1 A 15 15 ASP CB C 15 43.563 43.391 0.172 2
1 131 . 1 1 A 16 16 SER H H 16 8.796 8.659 0.137 2
1 132 . 1 1 A 16 16 SER HA H 16 3.006 4.305 -1.299 2
1 135 . 1 1 A 16 16 SER CA C 16 61.150 61.619 -0.469 2
1 136 . 1 1 A 16 16 SER CB C 16 61.849 62.583 -0.734 2
1 137 . 1 1 A 17 17 ASN H H 17 8.281 8.076 0.205 2
1 138 . 1 1 A 17 17 ASN HA H 17 4.679 4.535 0.144 2
1 143 . 1 1 A 17 17 ASN CA C 17 56.624 56.520 0.104 2
1 144 . 1 1 A 17 17 ASN CB C 17 38.066 38.562 -0.496 2
1 145 . 1 1 A 18 18 THR H H 18 9.130 8.188 0.942 2
1 146 . 1 1 A 18 18 THR HA H 18 3.888 3.924 -0.036 2
1 151 . 1 1 A 18 18 THR CA C 18 65.897 66.367 -0.470 2
1 152 . 1 1 A 18 18 THR CB C 18 67.277 68.636 -1.359 2
1 154 . 1 1 A 19 19 ALA H H 19 8.516 8.572 -0.056 2
1 155 . 1 1 A 19 19 ALA HA H 19 4.049 3.942 0.107 2
1 159 . 1 1 A 19 19 ALA CA C 19 55.280 55.277 0.003 2
1 160 . 1 1 A 19 19 ALA CB C 19 19.411 19.010 0.401 2
1 161 . 1 1 A 20 20 TRP H H 20 9.036 8.653 0.383 2
1 162 . 1 1 A 20 20 TRP HA H 20 4.110 4.176 -0.066 2
1 171 . 1 1 A 20 20 TRP CA C 20 61.191 61.630 -0.439 2
1 172 . 1 1 A 20 20 TRP CB C 20 28.615 29.581 -0.966 2
1 178 . 1 1 A 21 21 THR H H 21 8.630 8.507 0.123 2
1 179 . 1 1 A 21 21 THR HA H 21 3.650 4.109 -0.459 2
1 184 . 1 1 A 21 21 THR CA C 21 66.297 66.596 -0.298 2
1 185 . 1 1 A 21 21 THR CB C 21 68.329 68.556 -0.227 2
1 187 . 1 1 A 22 22 THR H H 22 8.509 8.109 0.400 2
1 188 . 1 1 A 22 22 THR HA H 22 3.605 3.744 -0.139 2
1 193 . 1 1 A 22 22 THR CA C 22 66.625 66.726 -0.101 2
1 194 . 1 1 A 22 22 THR CB C 22 67.818 68.004 -0.187 2
1 196 . 1 1 A 23 23 CYS H H 23 8.357 8.387 -0.030 2
1 197 . 1 1 A 23 23 CYS HA H 23 4.332 4.374 -0.042 2
1 200 . 1 1 A 23 23 CYS CA C 23 57.046 58.677 -1.631 2
1 201 . 1 1 A 23 23 CYS CB C 23 40.331 41.767 -1.436 2
1 202 . 1 1 A 24 24 THR H H 24 7.178 7.370 -0.192 2
1 203 . 1 1 A 24 24 THR HA H 24 4.437 4.497 -0.060 2
1 208 . 1 1 A 24 24 THR CA C 24 60.381 61.372 -0.991 2
1 209 . 1 1 A 24 24 THR CB C 24 70.672 69.519 1.153 2
1 211 . 1 1 A 25 25 THR H H 25 7.220 7.163 0.057 2
1 212 . 1 1 A 25 25 THR HA H 25 5.154 5.077 0.077 2
1 217 . 1 1 A 25 25 THR CA C 25 59.059 58.605 0.454 2
1 218 . 1 1 A 25 25 THR CB C 25 69.107 70.469 -1.362 2
1 220 . 1 1 A 26 26 PRO HA H 26 4.549 4.659 -0.110 2
1 227 . 1 1 A 26 26 PRO CA C 26 64.733 63.042 1.691 2
1 228 . 1 1 A 26 26 PRO CB C 26 32.055 31.859 0.196 2
1 231 . 1 1 A 27 27 GLY H H 27 9.118 8.004 1.114 2
1 232 . 1 1 A 27 27 GLY HA2 H 27 4.555 4.237 0.318 2
1 233 . 1 1 A 27 27 GLY HA3 H 27 3.937 4.242 -0.305 2
1 234 . 1 1 A 27 27 GLY CA C 27 43.918 45.473 -1.555 2
1 235 . 1 1 A 28 28 GLN H H 28 8.971 8.834 0.137 2
1 236 . 1 1 A 28 28 GLN HA H 28 4.167 4.188 -0.021 2
1 243 . 1 1 A 28 28 GLN CA C 28 58.650 58.045 0.605 2
1 244 . 1 1 A 28 28 GLN CB C 28 28.853 28.261 0.592 2
1 246 . 1 1 A 29 29 THR H H 29 8.533 7.721 0.812 2
1 247 . 1 1 A 29 29 THR HA H 29 4.499 4.657 -0.158 2
1 252 . 1 1 A 29 29 THR CA C 29 59.513 59.851 -0.338 2
1 253 . 1 1 A 29 29 THR CB C 29 68.879 69.068 -0.189 2
1 255 . 1 1 A 30 30 CYS H H 30 7.040 8.571 -1.531 2
1 256 . 1 1 A 30 30 CYS HA H 30 3.823 4.652 -0.829 2
1 259 . 1 1 A 30 30 CYS CA C 30 59.787 58.569 1.218 2
1 260 . 1 1 A 30 30 CYS CB C 30 41.483 28.431 13.052 2
1 261 . 1 1 A 31 31 TYR H H 31 9.732 8.610 1.122 2
1 262 . 1 1 A 31 31 TYR HA H 31 3.780 3.989 -0.209 2
1 269 . 1 1 A 31 31 TYR CA C 31 64.210 61.812 2.398 2
1 270 . 1 1 A 31 31 TYR CB C 31 39.118 38.643 0.475 2
1 273 . 1 1 A 32 32 THR H H 32 9.792 8.024 1.768 2
1 274 . 1 1 A 32 32 THR HA H 32 4.050 3.856 0.194 2
1 279 . 1 1 A 32 32 THR CA C 32 66.055 66.232 -0.177 2
1 280 . 1 1 A 32 32 THR CB C 32 68.541 68.127 0.414 2
1 282 . 1 1 A 33 33 CYS H H 33 8.845 8.651 0.194 2
1 283 . 1 1 A 33 33 CYS HA H 33 4.948 4.078 0.870 2
1 286 . 1 1 A 33 33 CYS CB C 33 37.503 41.563 -4.060 2
1 287 . 1 1 A 34 34 CYS H H 34 8.129 7.959 0.170 2
1 288 . 1 1 A 34 34 CYS HA H 34 4.718 4.077 0.641 2
1 291 . 1 1 A 34 34 CYS CB C 34 33.988 41.364 -7.376 2
1 292 . 1 1 A 35 35 SER H H 35 7.542 7.925 -0.383 2
1 293 . 1 1 A 35 35 SER HA H 35 4.404 4.224 0.180 2
1 296 . 1 1 A 35 35 SER CA C 35 59.877 60.920 -1.043 2
1 297 . 1 1 A 35 35 SER CB C 35 63.139 63.173 -0.034 2
1 298 . 1 1 A 36 36 SER H H 36 7.129 7.788 -0.659 2
1 299 . 1 1 A 36 36 SER HA H 36 4.692 4.472 0.220 2
1 302 . 1 1 A 36 36 SER CB C 36 62.611 62.709 -0.098 2
1 303 . 1 1 A 37 37 CYS H H 37 7.752 8.025 -0.273 2
1 304 . 1 1 A 37 37 CYS HA H 37 4.464 4.729 -0.265 2
1 307 . 1 1 A 37 37 CYS CA C 37 59.010 56.886 2.124 2
1 308 . 1 1 A 37 37 CYS CB C 37 48.093 45.044 3.049 2
1 309 . 1 1 A 38 38 PHE H H 38 7.013 7.951 -0.938 2
1 310 . 1 1 A 38 38 PHE HA H 38 5.633 5.358 0.275 2
1 317 . 1 1 A 38 38 PHE CA C 38 55.379 56.913 -1.534 2
1 318 . 1 1 A 38 38 PHE CB C 38 42.836 42.878 -0.042 2
1 322 . 1 1 A 39 39 ASP H H 39 8.871 8.706 0.165 2
1 323 . 1 1 A 39 39 ASP HA H 39 4.392 4.687 -0.295 2
1 326 . 1 1 A 39 39 ASP CA C 39 52.467 54.510 -2.043 2
1 327 . 1 1 A 39 39 ASP CB C 39 39.511 42.050 -2.539 2
1 328 . 1 1 A 40 40 VAL H H 40 8.003 8.523 -0.520 2
1 329 . 1 1 A 40 40 VAL HA H 40 3.985 3.740 0.245 2
1 337 . 1 1 A 40 40 VAL CA C 40 65.558 65.349 0.209 2
1 338 . 1 1 A 40 40 VAL CB C 40 29.014 31.694 -2.679 2
1 341 . 1 1 A 41 41 VAL H H 41 7.493 7.963 -0.470 2
1 342 . 1 1 A 41 41 VAL HA H 41 3.528 3.434 0.094 2
1 350 . 1 1 A 41 41 VAL CA C 41 65.014 65.962 -0.948 2
1 351 . 1 1 A 41 41 VAL CB C 41 31.518 31.216 0.302 2
1 354 . 1 1 A 42 42 GLY H H 42 8.730 7.938 0.792 2
1 355 . 1 1 A 42 42 GLY HA2 H 42 2.573 3.212 -0.639 2
1 356 . 1 1 A 42 42 GLY HA3 H 42 3.224 3.979 -0.755 2
1 357 . 1 1 A 42 42 GLY CA C 42 47.496 46.673 0.823 2
1 358 . 1 1 A 43 43 GLU H H 43 10.197 8.727 1.470 2
1 359 . 1 1 A 43 43 GLU HA H 43 3.776 4.039 -0.263 2
1 364 . 1 1 A 43 43 GLU CA C 43 58.892 59.525 -0.633 2
1 365 . 1 1 A 43 43 GLU CB C 43 29.300 29.376 -0.076 2
1 367 . 1 1 A 44 44 GLN H H 44 6.648 7.881 -1.233 2
1 368 . 1 1 A 44 44 GLN HA H 44 4.028 3.967 0.061 2
1 375 . 1 1 A 44 44 GLN CA C 44 57.875 58.541 -0.666 2
1 376 . 1 1 A 44 44 GLN CB C 44 27.790 28.524 -0.734 2
1 378 . 1 1 A 45 45 ALA H H 45 7.131 7.746 -0.615 2
1 379 . 1 1 A 45 45 ALA HA H 45 4.076 4.037 0.039 2
1 383 . 1 1 A 45 45 ALA CA C 45 54.601 54.996 -0.395 2
1 384 . 1 1 A 45 45 ALA CB C 45 17.623 17.941 -0.318 2
1 385 . 1 1 A 46 46 CYS H H 46 8.934 8.139 0.795 2
1 386 . 1 1 A 46 46 CYS HA H 46 3.116 3.321 -0.205 2
1 389 . 1 1 A 46 46 CYS CA C 46 58.321 58.840 -0.519 2
1 390 . 1 1 A 47 47 GLN H H 47 8.360 8.269 0.091 2
1 391 . 1 1 A 47 47 GLN HA H 47 3.352 3.708 -0.356 2
1 398 . 1 1 A 47 47 GLN CA C 47 58.364 58.747 -0.383 2
1 399 . 1 1 A 47 47 GLN CB C 47 26.924 27.912 -0.988 2
1 401 . 1 1 A 48 48 MET H H 48 8.112 8.065 0.047 2
1 402 . 1 1 A 48 48 MET HA H 48 4.379 4.345 0.034 2
1 407 . 1 1 A 48 48 MET CA C 48 57.081 57.235 -0.154 2
1 408 . 1 1 A 48 48 MET CB C 48 31.934 32.338 -0.404 2
1 410 . 1 1 A 49 49 SER H H 49 7.672 7.891 -0.219 2
1 411 . 1 1 A 49 49 SER HA H 49 4.536 4.567 -0.031 2
1 414 . 1 1 A 49 49 SER CA C 49 59.206 58.905 0.301 2
1 415 . 1 1 A 49 49 SER CB C 49 63.792 64.115 -0.323 2
1 416 . 1 1 A 50 50 ALA H H 50 7.602 7.289 0.313 2
1 417 . 1 1 A 50 50 ALA HA H 50 4.187 4.311 -0.124 2
1 421 . 1 1 A 50 50 ALA CA C 50 52.637 51.560 1.077 2
1 422 . 1 1 A 50 50 ALA CB C 50 17.896 19.700 -1.804 2
1 423 . 1 1 A 51 51 GLN H H 51 8.004 8.687 -0.683 2
1 424 . 1 1 A 51 51 GLN HA H 51 4.584 4.921 -0.337 2
1 431 . 1 1 A 51 51 GLN CA C 51 54.256 54.659 -0.403 2
1 432 . 1 1 A 51 51 GLN CB C 51 28.525 29.925 -1.400 2
stop_
save_