data_16210_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16210
_Entry.PDB_ID 2KGI
_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 3 . 1 1 1 A 2 2 VAL H H 2 8.368 9.172 -0.804 1
1 4 . 1 1 1 A 2 2 VAL HA H 2 5.250 4.729 0.521 1
1 12 . 1 1 1 A 2 2 VAL C C 2 176.070 175.621 0.449 1
1 13 . 1 1 1 A 2 2 VAL CA C 2 60.705 61.416 -0.711 1
1 14 . 1 1 1 A 2 2 VAL CB C 2 34.398 33.857 0.541 1
1 17 . 1 1 1 A 2 2 VAL N N 2 119.964 127.314 -7.350 1
1 18 . 1 1 1 A 3 3 CYS H H 3 9.183 9.073 0.110 1
1 19 . 1 1 1 A 3 3 CYS HA H 3 5.172 5.288 -0.116 1
1 22 . 1 1 1 A 3 3 CYS C C 3 173.772 174.554 -0.782 1
1 23 . 1 1 1 A 3 3 CYS CA C 3 56.558 56.457 0.101 1
1 24 . 1 1 1 A 3 3 CYS CB C 3 32.206 30.187 2.019 1
1 25 . 1 1 1 A 3 3 CYS N N 3 128.120 124.526 3.594 1
1 26 . 1 1 1 A 4 4 ALA H H 4 7.110 8.383 -1.273 1
1 27 . 1 1 1 A 4 4 ALA HA H 4 4.234 4.728 -0.494 1
1 31 . 1 1 1 A 4 4 ALA C C 4 177.661 176.295 1.366 1
1 32 . 1 1 1 A 4 4 ALA CA C 4 52.987 51.140 1.847 1
1 33 . 1 1 1 A 4 4 ALA CB C 4 19.004 18.093 0.911 1
1 34 . 1 1 1 A 4 4 ALA N N 4 117.697 123.474 -5.777 1
1 35 . 1 1 1 A 5 5 ALA H H 5 9.154 7.311 1.843 1
1 36 . 1 1 1 A 5 5 ALA HA H 5 4.565 4.804 -0.239 1
1 40 . 1 1 1 A 5 5 ALA C C 5 177.851 177.773 0.078 1
1 41 . 1 1 1 A 5 5 ALA CA C 5 53.029 50.633 2.396 1
1 42 . 1 1 1 A 5 5 ALA CB C 5 19.533 21.223 -1.690 1
1 43 . 1 1 1 A 5 5 ALA N N 5 125.563 122.843 2.720 1
1 44 . 1 1 1 A 6 6 GLN H H 6 8.946 8.634 0.312 1
1 45 . 1 1 1 A 6 6 GLN HA H 6 4.098 4.008 0.090 1
1 52 . 1 1 1 A 6 6 GLN C C 6 176.708 176.675 0.033 1
1 53 . 1 1 1 A 6 6 GLN CA C 6 58.555 59.383 -0.828 1
1 54 . 1 1 1 A 6 6 GLN CB C 6 28.397 28.629 -0.232 1
1 56 . 1 1 1 A 6 6 GLN N N 6 122.944 121.349 1.595 1
1 58 . 1 1 1 A 7 7 ASN H H 7 8.399 7.924 0.475 1
1 59 . 1 1 1 A 7 7 ASN HA H 7 4.848 4.977 -0.129 1
1 64 . 1 1 1 A 7 7 ASN C C 7 173.923 173.731 0.192 1
1 65 . 1 1 1 A 7 7 ASN CA C 7 51.808 51.511 0.297 1
1 66 . 1 1 1 A 7 7 ASN CB C 7 37.850 38.393 -0.543 1
1 67 . 1 1 1 A 7 7 ASN N N 7 115.700 116.173 -0.473 1
1 69 . 1 1 1 A 8 8 CYS H H 8 7.655 8.899 -1.244 1
1 70 . 1 1 1 A 8 8 CYS HA H 8 4.947 5.175 -0.228 1
1 73 . 1 1 1 A 8 8 CYS C C 8 177.267 173.749 3.518 1
1 74 . 1 1 1 A 8 8 CYS CA C 8 59.479 57.737 1.742 1
1 75 . 1 1 1 A 8 8 CYS CB C 8 29.085 30.099 -1.014 1
1 76 . 1 1 1 A 8 8 CYS N N 8 122.410 124.283 -1.873 1
1 77 . 1 1 1 A 9 9 GLN H H 9 9.901 8.658 1.243 1
1 78 . 1 1 1 A 9 9 GLN HA H 9 4.193 4.901 -0.708 1
1 85 . 1 1 1 A 9 9 GLN C C 9 175.088 173.985 1.103 1
1 86 . 1 1 1 A 9 9 GLN CA C 9 56.730 54.576 2.154 1
1 87 . 1 1 1 A 9 9 GLN CB C 9 28.833 31.436 -2.603 1
1 89 . 1 1 1 A 9 9 GLN N N 9 133.116 124.648 8.468 1
1 91 . 1 1 1 A 10 10 ARG H H 10 10.013 8.638 1.375 1
1 92 . 1 1 1 A 10 10 ARG HA H 10 4.138 4.641 -0.503 1
1 98 . 1 1 1 A 10 10 ARG CA C 10 55.426 52.475 2.951 1
1 99 . 1 1 1 A 10 10 ARG CB C 10 28.647 31.315 -2.668 1
1 102 . 1 1 1 A 10 10 ARG N N 10 121.692 123.825 -2.133 1
1 103 . 1 1 1 A 11 11 PRO HA H 11 4.178 4.291 -0.113 1
1 110 . 1 1 1 A 11 11 PRO C C 11 177.355 177.287 0.068 1
1 111 . 1 1 1 A 11 11 PRO CA C 11 63.005 65.403 -2.398 1
1 112 . 1 1 1 A 11 11 PRO CB C 11 31.662 31.446 0.216 1
1 115 . 1 1 1 A 12 12 CYS H H 12 8.662 7.948 0.714 1
1 116 . 1 1 1 A 12 12 CYS HA H 12 4.629 4.194 0.435 1
1 119 . 1 1 1 A 12 12 CYS C C 12 173.972 173.923 0.049 1
1 120 . 1 1 1 A 12 12 CYS CA C 12 58.103 60.381 -2.278 1
1 121 . 1 1 1 A 12 12 CYS CB C 12 27.951 26.451 1.500 1
1 122 . 1 1 1 A 12 12 CYS N N 12 120.690 114.992 5.698 1
1 123 . 1 1 1 A 13 13 LYS H H 13 7.138 7.931 -0.793 1
1 124 . 1 1 1 A 13 13 LYS HA H 13 4.406 4.364 0.042 1
1 131 . 1 1 1 A 13 13 LYS C C 13 174.846 177.580 -2.734 1
1 132 . 1 1 1 A 13 13 LYS CA C 13 55.401 55.552 -0.151 1
1 133 . 1 1 1 A 13 13 LYS CB C 13 34.650 33.524 1.126 1
1 137 . 1 1 1 A 13 13 LYS N N 13 121.573 119.562 2.011 1
1 138 . 1 1 1 A 14 14 ASP H H 14 8.395 8.754 -0.359 1
1 139 . 1 1 1 A 14 14 ASP HA H 14 4.301 4.297 0.004 1
1 142 . 1 1 1 A 14 14 ASP C C 14 176.114 176.641 -0.527 1
1 143 . 1 1 1 A 14 14 ASP CA C 14 57.107 57.622 -0.515 1
1 144 . 1 1 1 A 14 14 ASP CB C 14 40.801 41.043 -0.242 1
1 145 . 1 1 1 A 14 14 ASP N N 14 118.919 120.557 -1.638 1
1 146 . 1 1 1 A 15 15 LYS H H 15 7.593 8.006 -0.413 1
1 147 . 1 1 1 A 15 15 LYS HA H 15 4.818 4.759 0.059 1
1 155 . 1 1 1 A 15 15 LYS C C 15 175.145 175.361 -0.216 1
1 156 . 1 1 1 A 15 15 LYS CA C 15 55.491 54.977 0.514 1
1 157 . 1 1 1 A 15 15 LYS CB C 15 34.485 34.773 -0.288 1
1 161 . 1 1 1 A 15 15 LYS N N 15 117.259 117.632 -0.373 1
1 162 . 1 1 1 A 16 16 VAL H H 16 8.811 9.102 -0.291 1
1 163 . 1 1 1 A 16 16 VAL HA H 16 4.083 4.918 -0.835 1
1 171 . 1 1 1 A 16 16 VAL C C 16 174.356 174.129 0.227 1
1 172 . 1 1 1 A 16 16 VAL CA C 16 61.679 59.312 2.367 1
1 173 . 1 1 1 A 16 16 VAL CB C 16 34.315 35.335 -1.020 1
1 176 . 1 1 1 A 16 16 VAL N N 16 123.375 118.036 5.339 1
1 177 . 1 1 1 A 17 17 ASP H H 17 7.938 8.668 -0.730 1
1 178 . 1 1 1 A 17 17 ASP HA H 17 5.639 5.484 0.155 1
1 181 . 1 1 1 A 17 17 ASP C C 17 177.550 175.514 2.036 1
1 182 . 1 1 1 A 17 17 ASP CA C 17 54.991 53.073 1.918 1
1 183 . 1 1 1 A 17 17 ASP CB C 17 43.020 43.373 -0.353 1
1 184 . 1 1 1 A 17 17 ASP N N 17 124.698 121.989 2.709 1
1 185 . 1 1 1 A 18 18 TRP H H 18 9.636 9.207 0.429 1
1 186 . 1 1 1 A 18 18 TRP HA H 18 5.793 6.008 -0.215 1
1 195 . 1 1 1 A 18 18 TRP C C 18 176.051 175.401 0.650 1
1 196 . 1 1 1 A 18 18 TRP CA C 18 56.881 55.994 0.887 1
1 197 . 1 1 1 A 18 18 TRP CB C 18 34.097 33.993 0.104 1
1 203 . 1 1 1 A 18 18 TRP N N 18 123.330 121.618 1.712 1
1 205 . 1 1 1 A 19 19 VAL H H 19 10.592 9.098 1.494 1
1 206 . 1 1 1 A 19 19 VAL HA H 19 5.409 5.140 0.269 1
1 214 . 1 1 1 A 19 19 VAL C C 19 170.168 173.766 -3.598 1
1 215 . 1 1 1 A 19 19 VAL CA C 19 60.297 60.782 -0.485 1
1 216 . 1 1 1 A 19 19 VAL CB C 19 36.269 36.030 0.239 1
1 219 . 1 1 1 A 19 19 VAL N N 19 122.558 121.047 1.511 1
1 220 . 1 1 1 A 20 20 GLN H H 20 8.359 8.907 -0.548 1
1 221 . 1 1 1 A 20 20 GLN HA H 20 4.728 4.606 0.122 1
1 228 . 1 1 1 A 20 20 GLN C C 20 176.280 175.417 0.863 1
1 229 . 1 1 1 A 20 20 GLN CA C 20 53.251 53.558 -0.307 1
1 230 . 1 1 1 A 20 20 GLN CB C 20 28.640 30.947 -2.307 1
1 232 . 1 1 1 A 20 20 GLN N N 20 132.425 125.901 6.524 1
1 234 . 1 1 1 A 21 21 CYS H H 21 8.618 8.478 0.140 1
1 235 . 1 1 1 A 21 21 CYS HA H 21 4.601 5.013 -0.412 1
1 238 . 1 1 1 A 21 21 CYS C C 21 177.580 175.096 2.484 1
1 239 . 1 1 1 A 21 21 CYS CA C 21 61.339 59.076 2.263 1
1 240 . 1 1 1 A 21 21 CYS CB C 21 32.597 28.105 4.492 1
1 241 . 1 1 1 A 21 21 CYS N N 21 128.017 124.757 3.260 1
1 242 . 1 1 1 A 22 22 ASP H H 22 10.211 9.379 0.832 1
1 243 . 1 1 1 A 22 22 ASP HA H 22 4.926 4.851 0.075 1
1 246 . 1 1 1 A 22 22 ASP C C 22 177.366 177.019 0.347 1
1 247 . 1 1 1 A 22 22 ASP CA C 22 56.782 54.057 2.725 1
1 248 . 1 1 1 A 22 22 ASP CB C 22 43.715 41.491 2.224 1
1 249 . 1 1 1 A 22 22 ASP N N 22 128.881 126.647 2.234 1
1 250 . 1 1 1 A 23 23 GLY H H 23 11.136 7.451 3.685 1
1 251 . 1 1 1 A 23 23 GLY HA2 H 23 3.556 3.898 -0.342 1
1 252 . 1 1 1 A 23 23 GLY HA3 H 23 4.026 3.915 0.111 1
1 253 . 1 1 1 A 23 23 GLY C C 23 173.584 174.403 -0.819 1
1 254 . 1 1 1 A 23 23 GLY CA C 23 45.651 45.228 0.423 1
1 255 . 1 1 1 A 23 23 GLY N N 23 117.638 108.096 9.542 1
1 256 . 1 1 1 A 24 24 GLY H H 24 8.906 7.743 1.163 1
1 257 . 1 1 1 A 24 24 GLY HA2 H 24 3.451 3.963 -0.512 1
1 258 . 1 1 1 A 24 24 GLY HA3 H 24 4.722 3.969 0.753 1
1 259 . 1 1 1 A 24 24 GLY C C 24 175.467 174.939 0.528 1
1 260 . 1 1 1 A 24 24 GLY CA C 24 45.165 45.171 -0.006 1
1 261 . 1 1 1 A 24 24 GLY N N 24 109.634 107.697 1.937 1
1 262 . 1 1 1 A 25 25 CYS H H 25 7.599 7.861 -0.262 1
1 263 . 1 1 1 A 25 25 CYS HA H 25 4.450 4.249 0.201 1
1 266 . 1 1 1 A 25 25 CYS C C 25 175.747 174.736 1.011 1
1 267 . 1 1 1 A 25 25 CYS CA C 25 60.192 60.487 -0.295 1
1 268 . 1 1 1 A 25 25 CYS CB C 25 30.266 28.449 1.817 1
1 269 . 1 1 1 A 25 25 CYS N N 25 119.707 119.453 0.254 1
1 270 . 1 1 1 A 26 26 ASP H H 26 8.156 7.905 0.251 1
1 271 . 1 1 1 A 26 26 ASP HA H 26 4.364 4.188 0.176 1
1 274 . 1 1 1 A 26 26 ASP C C 26 175.426 174.606 0.820 1
1 275 . 1 1 1 A 26 26 ASP CA C 26 56.106 55.287 0.819 1
1 276 . 1 1 1 A 26 26 ASP CB C 26 40.889 39.168 1.721 1
1 277 . 1 1 1 A 26 26 ASP N N 26 118.432 117.684 0.748 1
1 278 . 1 1 1 A 27 27 GLU H H 27 9.181 7.780 1.401 1
1 279 . 1 1 1 A 27 27 GLU HA H 27 4.379 4.526 -0.147 1
1 284 . 1 1 1 A 27 27 GLU C C 27 175.329 175.708 -0.379 1
1 285 . 1 1 1 A 27 27 GLU CA C 27 58.179 54.691 3.488 1
1 286 . 1 1 1 A 27 27 GLU CB C 27 30.604 30.524 0.080 1
1 288 . 1 1 1 A 27 27 GLU N N 27 122.798 117.232 5.566 1
1 289 . 1 1 1 A 28 28 TRP H H 28 8.472 8.765 -0.293 1
1 290 . 1 1 1 A 28 28 TRP HA H 28 4.934 5.417 -0.483 1
1 299 . 1 1 1 A 28 28 TRP C C 28 175.838 175.463 0.375 1
1 300 . 1 1 1 A 28 28 TRP CA C 28 57.313 55.625 1.688 1
1 301 . 1 1 1 A 28 28 TRP CB C 28 31.956 31.277 0.679 1
1 307 . 1 1 1 A 28 28 TRP N N 28 117.567 120.944 -3.377 1
1 309 . 1 1 1 A 29 29 PHE H H 29 9.792 9.295 0.497 1
1 310 . 1 1 1 A 29 29 PHE HA H 29 4.865 5.608 -0.743 1
1 316 . 1 1 1 A 29 29 PHE C C 29 176.573 174.911 1.662 1
1 317 . 1 1 1 A 29 29 PHE CA C 29 56.788 56.322 0.466 1
1 318 . 1 1 1 A 29 29 PHE CB C 29 42.755 43.638 -0.883 1
1 322 . 1 1 1 A 29 29 PHE N N 29 120.754 120.472 0.282 1
1 323 . 1 1 1 A 30 30 HIS H H 30 9.889 8.575 1.314 1
1 324 . 1 1 1 A 30 30 HIS HA H 30 4.383 4.942 -0.559 1
1 328 . 1 1 1 A 30 30 HIS C C 30 177.229 176.099 1.130 1
1 329 . 1 1 1 A 30 30 HIS CA C 30 57.127 55.056 2.071 1
1 330 . 1 1 1 A 30 30 HIS CB C 30 29.589 31.640 -2.051 1
1 332 . 1 1 1 A 30 30 HIS N N 30 124.925 118.179 6.746 1
1 333 . 1 1 1 A 31 31 GLN H H 31 8.636 8.832 -0.196 1
1 334 . 1 1 1 A 31 31 GLN HA H 31 3.563 3.913 -0.350 1
1 341 . 1 1 1 A 31 31 GLN C C 31 178.836 178.018 0.818 1
1 342 . 1 1 1 A 31 31 GLN CA C 31 60.702 59.163 1.539 1
1 343 . 1 1 1 A 31 31 GLN CB C 31 26.688 28.283 -1.595 1
1 345 . 1 1 1 A 31 31 GLN N N 31 124.356 123.088 1.268 1
1 347 . 1 1 1 A 32 32 VAL H H 32 8.975 7.827 1.148 1
1 348 . 1 1 1 A 32 32 VAL HA H 32 4.096 3.872 0.224 1
1 356 . 1 1 1 A 32 32 VAL CA C 32 64.568 64.368 0.200 1
1 357 . 1 1 1 A 32 32 VAL CB C 32 31.689 31.521 0.168 1
1 360 . 1 1 1 A 32 32 VAL N N 32 114.507 116.035 -1.528 1
1 361 . 1 1 1 A 33 33 CYS H H 33 6.770 7.684 -0.914 1
1 362 . 1 1 1 A 33 33 CYS HA H 33 4.139 4.310 -0.171 1
1 365 . 1 1 1 A 33 33 CYS C C 33 177.175 175.473 1.702 1
1 366 . 1 1 1 A 33 33 CYS CA C 33 62.799 60.931 1.868 1
1 367 . 1 1 1 A 33 33 CYS CB C 33 29.256 27.874 1.382 1
1 368 . 1 1 1 A 33 33 CYS N N 33 120.275 119.949 0.326 1
1 369 . 1 1 1 A 34 34 VAL H H 34 7.144 7.331 -0.187 1
1 370 . 1 1 1 A 34 34 VAL HA H 34 4.599 4.238 0.361 1
1 378 . 1 1 1 A 34 34 VAL C C 34 176.099 175.869 0.230 1
1 379 . 1 1 1 A 34 34 VAL CA C 34 60.218 61.782 -1.564 1
1 380 . 1 1 1 A 34 34 VAL CB C 34 31.918 31.772 0.146 1
1 383 . 1 1 1 A 34 34 VAL N N 34 106.458 119.738 -13.280 1
1 384 . 1 1 1 A 35 35 GLY H H 35 7.519 7.875 -0.356 1
1 385 . 1 1 1 A 35 35 GLY HA2 H 35 3.897 3.909 -0.012 1
1 386 . 1 1 1 A 35 35 GLY HA3 H 35 3.954 3.915 0.039 1
1 387 . 1 1 1 A 35 35 GLY C C 35 174.669 174.653 0.016 1
1 388 . 1 1 1 A 35 35 GLY CA C 35 47.173 46.822 0.351 1
1 389 . 1 1 1 A 35 35 GLY N N 35 110.261 111.289 -1.028 1
1 390 . 1 1 1 A 36 36 VAL H H 36 7.556 8.481 -0.925 1
1 391 . 1 1 1 A 36 36 VAL HA H 36 4.480 4.000 0.480 1
1 399 . 1 1 1 A 36 36 VAL C C 36 174.103 175.293 -1.190 1
1 400 . 1 1 1 A 36 36 VAL CA C 36 60.273 61.801 -1.528 1
1 401 . 1 1 1 A 36 36 VAL CB C 36 34.388 32.705 1.683 1
1 404 . 1 1 1 A 36 36 VAL N N 36 117.579 120.305 -2.726 1
1 405 . 1 1 1 A 37 37 SER H H 37 8.097 8.577 -0.480 1
1 406 . 1 1 1 A 37 37 SER HA H 37 4.846 4.926 -0.080 1
1 409 . 1 1 1 A 37 37 SER CA C 37 55.675 55.438 0.237 1
1 410 . 1 1 1 A 37 37 SER CB C 37 63.614 64.330 -0.716 1
1 411 . 1 1 1 A 37 37 SER N N 37 122.439 122.001 0.438 1
1 412 . 1 1 1 A 38 38 PRO HA H 38 4.467 4.706 -0.239 1
1 418 . 1 1 1 A 38 38 PRO C C 38 179.393 178.736 0.657 1
1 419 . 1 1 1 A 38 38 PRO CA C 38 65.685 65.642 0.043 1
1 420 . 1 1 1 A 38 38 PRO CB C 38 32.027 31.806 0.221 1
1 423 . 1 1 1 A 39 39 GLU H H 39 8.536 8.422 0.114 1
1 424 . 1 1 1 A 39 39 GLU HA H 39 4.080 4.040 0.040 1
1 429 . 1 1 1 A 39 39 GLU C C 39 178.722 179.447 -0.725 1
1 430 . 1 1 1 A 39 39 GLU CA C 39 59.711 59.700 0.011 1
1 431 . 1 1 1 A 39 39 GLU CB C 39 28.947 29.179 -0.232 1
1 433 . 1 1 1 A 39 39 GLU N N 39 116.083 117.458 -1.375 1
1 434 . 1 1 1 A 40 40 MET H H 40 7.578 8.257 -0.679 1
1 435 . 1 1 1 A 40 40 MET HA H 40 4.224 4.152 0.072 1
1 439 . 1 1 1 A 40 40 MET C C 40 178.433 178.058 0.375 1
1 440 . 1 1 1 A 40 40 MET CA C 40 58.112 58.794 -0.682 1
1 441 . 1 1 1 A 40 40 MET CB C 40 33.685 33.123 0.562 1
1 443 . 1 1 1 A 40 40 MET N N 40 119.520 119.022 0.498 1
1 444 . 1 1 1 A 41 41 ALA H H 41 8.324 7.625 0.699 1
1 445 . 1 1 1 A 41 41 ALA HA H 41 3.975 4.045 -0.070 1
1 449 . 1 1 1 A 41 41 ALA C C 41 177.857 178.608 -0.751 1
1 450 . 1 1 1 A 41 41 ALA CA C 41 54.797 54.784 0.013 1
1 451 . 1 1 1 A 41 41 ALA CB C 41 18.982 18.318 0.664 1
1 452 . 1 1 1 A 41 41 ALA N N 41 121.259 121.124 0.135 1
1 453 . 1 1 1 A 42 42 GLU H H 42 7.833 7.770 0.063 1
1 454 . 1 1 1 A 42 42 GLU HA H 42 4.273 4.218 0.055 1
1 458 . 1 1 1 A 42 42 GLU C C 42 178.431 177.543 0.888 1
1 459 . 1 1 1 A 42 42 GLU CA C 42 58.268 58.116 0.152 1
1 460 . 1 1 1 A 42 42 GLU CB C 42 30.338 29.973 0.365 1
1 462 . 1 1 1 A 42 42 GLU N N 42 112.040 116.674 -4.634 1
1 463 . 1 1 1 A 43 43 ASN H H 43 7.688 7.640 0.048 1
1 464 . 1 1 1 A 43 43 ASN HA H 43 4.764 4.800 -0.036 1
1 469 . 1 1 1 A 43 43 ASN C C 43 174.879 175.220 -0.341 1
1 470 . 1 1 1 A 43 43 ASN CA C 43 54.854 54.524 0.330 1
1 471 . 1 1 1 A 43 43 ASN CB C 43 41.148 40.324 0.824 1
1 472 . 1 1 1 A 43 43 ASN N N 43 113.488 116.802 -3.314 1
1 474 . 1 1 1 A 44 44 GLU H H 44 7.861 8.229 -0.368 1
1 475 . 1 1 1 A 44 44 GLU HA H 44 4.777 4.742 0.035 1
1 480 . 1 1 1 A 44 44 GLU C C 44 176.482 175.951 0.531 1
1 481 . 1 1 1 A 44 44 GLU CA C 44 54.576 54.874 -0.298 1
1 482 . 1 1 1 A 44 44 GLU CB C 44 32.781 32.790 -0.009 1
1 484 . 1 1 1 A 44 44 GLU N N 44 118.109 117.401 0.708 1
1 485 . 1 1 1 A 45 45 ASP H H 45 8.707 8.575 0.132 1
1 486 . 1 1 1 A 45 45 ASP HA H 45 4.755 4.647 0.108 1
1 488 . 1 1 1 A 45 45 ASP C C 45 176.643 175.329 1.314 1
1 489 . 1 1 1 A 45 45 ASP CA C 45 54.764 54.551 0.213 1
1 490 . 1 1 1 A 45 45 ASP CB C 45 40.807 41.011 -0.204 1
1 491 . 1 1 1 A 45 45 ASP N N 45 123.334 120.860 2.474 1
1 492 . 1 1 1 A 46 46 TYR H H 46 9.868 8.554 1.314 1
1 493 . 1 1 1 A 46 46 TYR HA H 46 4.671 5.345 -0.674 1
1 498 . 1 1 1 A 46 46 TYR C C 46 172.045 174.137 -2.092 1
1 499 . 1 1 1 A 46 46 TYR CA C 46 58.409 56.307 2.102 1
1 500 . 1 1 1 A 46 46 TYR CB C 46 40.085 40.963 -0.878 1
1 503 . 1 1 1 A 46 46 TYR N N 46 124.561 125.190 -0.629 1
1 504 . 1 1 1 A 47 47 ILE H H 47 7.520 8.930 -1.410 1
1 505 . 1 1 1 A 47 47 ILE HA H 47 4.344 4.385 -0.041 1
1 515 . 1 1 1 A 47 47 ILE C C 47 174.691 175.464 -0.773 1
1 516 . 1 1 1 A 47 47 ILE CA C 47 58.279 59.986 -1.707 1
1 517 . 1 1 1 A 47 47 ILE CB C 47 37.652 39.578 -1.926 1
1 521 . 1 1 1 A 47 47 ILE N N 47 128.737 127.949 0.788 1
1 522 . 1 1 1 A 48 48 CYS H H 48 9.142 8.335 0.807 1
1 523 . 1 1 1 A 48 48 CYS HA H 48 4.126 4.172 -0.046 1
1 526 . 1 1 1 A 48 48 CYS C C 48 175.153 176.260 -1.107 1
1 527 . 1 1 1 A 48 48 CYS CA C 48 58.302 58.408 -0.106 1
1 528 . 1 1 1 A 48 48 CYS CB C 48 32.494 29.253 3.241 1
1 529 . 1 1 1 A 48 48 CYS N N 48 130.912 127.005 3.907 1
1 530 . 1 1 1 A 49 49 ILE H H 49 7.748 8.668 -0.920 1
1 531 . 1 1 1 A 49 49 ILE HA H 49 3.956 3.797 0.159 1
1 541 . 1 1 1 A 49 49 ILE C C 49 177.115 177.354 -0.239 1
1 542 . 1 1 1 A 49 49 ILE CA C 49 63.096 63.697 -0.601 1
1 543 . 1 1 1 A 49 49 ILE CB C 49 38.630 37.683 0.947 1
1 547 . 1 1 1 A 49 49 ILE N N 49 113.518 119.365 -5.847 1
1 548 . 1 1 1 A 50 50 ASN H H 50 8.859 8.262 0.597 1
1 549 . 1 1 1 A 50 50 ASN HA H 50 4.709 4.550 0.159 1
1 554 . 1 1 1 A 50 50 ASN C C 50 176.868 176.549 0.319 1
1 555 . 1 1 1 A 50 50 ASN CA C 50 55.433 55.854 -0.421 1
1 556 . 1 1 1 A 50 50 ASN CB C 50 39.690 38.631 1.059 1
1 557 . 1 1 1 A 50 50 ASN N N 50 121.721 119.583 2.138 1
1 559 . 1 1 1 A 51 51 CYS H H 51 8.213 7.583 0.630 1
1 560 . 1 1 1 A 51 51 CYS HA H 51 4.113 4.447 -0.334 1
1 563 . 1 1 1 A 51 51 CYS C C 51 174.832 174.712 0.120 1
1 564 . 1 1 1 A 51 51 CYS CA C 51 62.048 58.713 3.335 1
1 565 . 1 1 1 A 51 51 CYS CB C 51 31.516 27.448 4.068 1
1 566 . 1 1 1 A 51 51 CYS N N 51 123.810 115.173 8.637 1
1 3 . 2 1 1 A 2 2 VAL H H 2 8.368 8.090 0.278 1
1 4 . 2 1 1 A 2 2 VAL HA H 2 5.250 4.790 0.460 1
1 12 . 2 1 1 A 2 2 VAL C C 2 176.070 174.953 1.117 1
1 13 . 2 1 1 A 2 2 VAL CA C 2 60.705 60.935 -0.230 1
1 14 . 2 1 1 A 2 2 VAL CB C 2 34.398 34.947 -0.549 1
1 17 . 2 1 1 A 2 2 VAL N N 2 119.964 117.869 2.095 1
1 18 . 2 1 1 A 3 3 CYS H H 3 9.183 9.296 -0.113 1
1 19 . 2 1 1 A 3 3 CYS HA H 3 5.172 5.207 -0.035 1
1 22 . 2 1 1 A 3 3 CYS C C 3 173.772 173.848 -0.076 1
1 23 . 2 1 1 A 3 3 CYS CA C 3 56.558 56.198 0.360 1
1 24 . 2 1 1 A 3 3 CYS CB C 3 32.206 30.880 1.326 1
1 25 . 2 1 1 A 3 3 CYS N N 3 128.120 124.774 3.346 1
1 26 . 2 1 1 A 4 4 ALA H H 4 7.110 8.401 -1.291 1
1 27 . 2 1 1 A 4 4 ALA HA H 4 4.234 4.677 -0.443 1
1 31 . 2 1 1 A 4 4 ALA C C 4 177.661 176.320 1.341 1
1 32 . 2 1 1 A 4 4 ALA CA C 4 52.987 51.399 1.588 1
1 33 . 2 1 1 A 4 4 ALA CB C 4 19.004 17.813 1.191 1
1 34 . 2 1 1 A 4 4 ALA N N 4 117.697 123.655 -5.958 1
1 35 . 2 1 1 A 5 5 ALA H H 5 9.154 7.381 1.773 1
1 36 . 2 1 1 A 5 5 ALA HA H 5 4.565 4.739 -0.174 1
1 40 . 2 1 1 A 5 5 ALA C C 5 177.851 177.644 0.207 1
1 41 . 2 1 1 A 5 5 ALA CA C 5 53.029 50.700 2.329 1
1 42 . 2 1 1 A 5 5 ALA CB C 5 19.533 20.592 -1.059 1
1 43 . 2 1 1 A 5 5 ALA N N 5 125.563 122.974 2.589 1
1 44 . 2 1 1 A 6 6 GLN H H 6 8.946 8.937 0.009 1
1 45 . 2 1 1 A 6 6 GLN HA H 6 4.098 4.013 0.085 1
1 52 . 2 1 1 A 6 6 GLN C C 6 176.708 176.586 0.122 1
1 53 . 2 1 1 A 6 6 GLN CA C 6 58.555 59.420 -0.865 1
1 54 . 2 1 1 A 6 6 GLN CB C 6 28.397 28.931 -0.534 1
1 56 . 2 1 1 A 6 6 GLN N N 6 122.944 123.348 -0.404 1
1 58 . 2 1 1 A 7 7 ASN H H 7 8.399 7.801 0.598 1
1 59 . 2 1 1 A 7 7 ASN HA H 7 4.848 4.916 -0.068 1
1 64 . 2 1 1 A 7 7 ASN C C 7 173.923 174.011 -0.088 1
1 65 . 2 1 1 A 7 7 ASN CA C 7 51.808 51.612 0.196 1
1 66 . 2 1 1 A 7 7 ASN CB C 7 37.850 38.259 -0.409 1
1 67 . 2 1 1 A 7 7 ASN N N 7 115.700 116.542 -0.842 1
1 69 . 2 1 1 A 8 8 CYS H H 8 7.655 8.755 -1.100 1
1 70 . 2 1 1 A 8 8 CYS HA H 8 4.947 5.140 -0.193 1
1 73 . 2 1 1 A 8 8 CYS C C 8 177.267 173.831 3.436 1
1 74 . 2 1 1 A 8 8 CYS CA C 8 59.479 57.678 1.801 1
1 75 . 2 1 1 A 8 8 CYS CB C 8 29.085 30.136 -1.051 1
1 76 . 2 1 1 A 8 8 CYS N N 8 122.410 124.194 -1.784 1
1 77 . 2 1 1 A 9 9 GLN H H 9 9.901 8.694 1.207 1
1 78 . 2 1 1 A 9 9 GLN HA H 9 4.193 4.953 -0.760 1
1 85 . 2 1 1 A 9 9 GLN C C 9 175.088 174.075 1.013 1
1 86 . 2 1 1 A 9 9 GLN CA C 9 56.730 54.422 2.308 1
1 87 . 2 1 1 A 9 9 GLN CB C 9 28.833 31.701 -2.868 1
1 89 . 2 1 1 A 9 9 GLN N N 9 133.116 124.565 8.551 1
1 91 . 2 1 1 A 10 10 ARG H H 10 10.013 8.668 1.345 1
1 92 . 2 1 1 A 10 10 ARG HA H 10 4.138 4.674 -0.536 1
1 98 . 2 1 1 A 10 10 ARG CA C 10 55.426 52.495 2.931 1
1 99 . 2 1 1 A 10 10 ARG CB C 10 28.647 31.311 -2.664 1
1 102 . 2 1 1 A 10 10 ARG N N 10 121.692 124.212 -2.520 1
1 103 . 2 1 1 A 11 11 PRO HA H 11 4.178 4.249 -0.071 1
1 110 . 2 1 1 A 11 11 PRO C C 11 177.355 177.287 0.068 1
1 111 . 2 1 1 A 11 11 PRO CA C 11 63.005 65.365 -2.360 1
1 112 . 2 1 1 A 11 11 PRO CB C 11 31.662 31.503 0.159 1
1 115 . 2 1 1 A 12 12 CYS H H 12 8.662 7.958 0.704 1
1 116 . 2 1 1 A 12 12 CYS HA H 12 4.629 4.174 0.455 1
1 119 . 2 1 1 A 12 12 CYS C C 12 173.972 174.020 -0.048 1
1 120 . 2 1 1 A 12 12 CYS CA C 12 58.103 60.381 -2.278 1
1 121 . 2 1 1 A 12 12 CYS CB C 12 27.951 26.122 1.829 1
1 122 . 2 1 1 A 12 12 CYS N N 12 120.690 114.933 5.757 1
1 123 . 2 1 1 A 13 13 LYS H H 13 7.138 7.906 -0.768 1
1 124 . 2 1 1 A 13 13 LYS HA H 13 4.406 4.394 0.012 1
1 131 . 2 1 1 A 13 13 LYS C C 13 174.846 177.563 -2.717 1
1 132 . 2 1 1 A 13 13 LYS CA C 13 55.401 55.395 0.006 1
1 133 . 2 1 1 A 13 13 LYS CB C 13 34.650 33.524 1.126 1
1 137 . 2 1 1 A 13 13 LYS N N 13 121.573 119.961 1.612 1
1 138 . 2 1 1 A 14 14 ASP H H 14 8.395 8.747 -0.352 1
1 139 . 2 1 1 A 14 14 ASP HA H 14 4.301 4.471 -0.170 1
1 142 . 2 1 1 A 14 14 ASP C C 14 176.114 176.076 0.038 1
1 143 . 2 1 1 A 14 14 ASP CA C 14 57.107 55.884 1.223 1
1 144 . 2 1 1 A 14 14 ASP CB C 14 40.801 41.412 -0.611 1
1 145 . 2 1 1 A 14 14 ASP N N 14 118.919 120.510 -1.591 1
1 146 . 2 1 1 A 15 15 LYS H H 15 7.593 7.612 -0.019 1
1 147 . 2 1 1 A 15 15 LYS HA H 15 4.818 4.871 -0.053 1
1 155 . 2 1 1 A 15 15 LYS C C 15 175.145 175.102 0.043 1
1 156 . 2 1 1 A 15 15 LYS CA C 15 55.491 55.401 0.090 1
1 157 . 2 1 1 A 15 15 LYS CB C 15 34.485 36.071 -1.586 1
1 161 . 2 1 1 A 15 15 LYS N N 15 117.259 117.003 0.256 1
1 162 . 2 1 1 A 16 16 VAL H H 16 8.811 8.955 -0.144 1
1 163 . 2 1 1 A 16 16 VAL HA H 16 4.083 4.968 -0.885 1
1 171 . 2 1 1 A 16 16 VAL C C 16 174.356 173.709 0.647 1
1 172 . 2 1 1 A 16 16 VAL CA C 16 61.679 58.853 2.826 1
1 173 . 2 1 1 A 16 16 VAL CB C 16 34.315 35.856 -1.541 1
1 176 . 2 1 1 A 16 16 VAL N N 16 123.375 118.798 4.577 1
1 177 . 2 1 1 A 17 17 ASP H H 17 7.938 8.677 -0.739 1
1 178 . 2 1 1 A 17 17 ASP HA H 17 5.639 5.438 0.201 1
1 181 . 2 1 1 A 17 17 ASP C C 17 177.550 175.544 2.006 1
1 182 . 2 1 1 A 17 17 ASP CA C 17 54.991 53.152 1.839 1
1 183 . 2 1 1 A 17 17 ASP CB C 17 43.020 43.064 -0.044 1
1 184 . 2 1 1 A 17 17 ASP N N 17 124.698 121.582 3.116 1
1 185 . 2 1 1 A 18 18 TRP H H 18 9.636 9.206 0.430 1
1 186 . 2 1 1 A 18 18 TRP HA H 18 5.793 6.067 -0.274 1
1 195 . 2 1 1 A 18 18 TRP C C 18 176.051 175.524 0.527 1
1 196 . 2 1 1 A 18 18 TRP CA C 18 56.881 56.155 0.726 1
1 197 . 2 1 1 A 18 18 TRP CB C 18 34.097 33.692 0.405 1
1 203 . 2 1 1 A 18 18 TRP N N 18 123.330 122.364 0.966 1
1 205 . 2 1 1 A 19 19 VAL H H 19 10.592 9.166 1.426 1
1 206 . 2 1 1 A 19 19 VAL HA H 19 5.409 5.039 0.370 1
1 214 . 2 1 1 A 19 19 VAL C C 19 170.168 173.754 -3.586 1
1 215 . 2 1 1 A 19 19 VAL CA C 19 60.297 60.731 -0.434 1
1 216 . 2 1 1 A 19 19 VAL CB C 19 36.269 36.025 0.244 1
1 219 . 2 1 1 A 19 19 VAL N N 19 122.558 121.067 1.491 1
1 220 . 2 1 1 A 20 20 GLN H H 20 8.359 8.929 -0.570 1
1 221 . 2 1 1 A 20 20 GLN HA H 20 4.728 4.702 0.026 1
1 228 . 2 1 1 A 20 20 GLN C C 20 176.280 175.329 0.951 1
1 229 . 2 1 1 A 20 20 GLN CA C 20 53.251 53.524 -0.273 1
1 230 . 2 1 1 A 20 20 GLN CB C 20 28.640 31.305 -2.665 1
1 232 . 2 1 1 A 20 20 GLN N N 20 132.425 125.978 6.447 1
1 234 . 2 1 1 A 21 21 CYS H H 21 8.618 8.435 0.183 1
1 235 . 2 1 1 A 21 21 CYS HA H 21 4.601 4.988 -0.387 1
1 238 . 2 1 1 A 21 21 CYS C C 21 177.580 175.015 2.565 1
1 239 . 2 1 1 A 21 21 CYS CA C 21 61.339 59.337 2.002 1
1 240 . 2 1 1 A 21 21 CYS CB C 21 32.597 28.251 4.346 1
1 241 . 2 1 1 A 21 21 CYS N N 21 128.017 124.613 3.404 1
1 242 . 2 1 1 A 22 22 ASP H H 22 10.211 9.157 1.054 1
1 243 . 2 1 1 A 22 22 ASP HA H 22 4.926 4.851 0.075 1
1 246 . 2 1 1 A 22 22 ASP C C 22 177.366 177.088 0.278 1
1 247 . 2 1 1 A 22 22 ASP CA C 22 56.782 54.071 2.711 1
1 248 . 2 1 1 A 22 22 ASP CB C 22 43.715 41.465 2.250 1
1 249 . 2 1 1 A 22 22 ASP N N 22 128.881 126.303 2.578 1
1 250 . 2 1 1 A 23 23 GLY H H 23 11.136 7.542 3.594 1
1 251 . 2 1 1 A 23 23 GLY HA2 H 23 3.556 3.922 -0.366 1
1 252 . 2 1 1 A 23 23 GLY HA3 H 23 4.026 3.940 0.086 1
1 253 . 2 1 1 A 23 23 GLY C C 23 173.584 174.632 -1.048 1
1 254 . 2 1 1 A 23 23 GLY CA C 23 45.651 45.264 0.387 1
1 255 . 2 1 1 A 23 23 GLY N N 23 117.638 107.704 9.934 1
1 256 . 2 1 1 A 24 24 GLY H H 24 8.906 7.701 1.205 1
1 257 . 2 1 1 A 24 24 GLY HA2 H 24 3.451 3.977 -0.526 1
1 258 . 2 1 1 A 24 24 GLY HA3 H 24 4.722 3.981 0.741 1
1 259 . 2 1 1 A 24 24 GLY C C 24 175.467 174.663 0.804 1
1 260 . 2 1 1 A 24 24 GLY CA C 24 45.165 45.310 -0.145 1
1 261 . 2 1 1 A 24 24 GLY N N 24 109.634 107.435 2.199 1
1 262 . 2 1 1 A 25 25 CYS H H 25 7.599 8.135 -0.536 1
1 263 . 2 1 1 A 25 25 CYS HA H 25 4.450 4.130 0.320 1
1 266 . 2 1 1 A 25 25 CYS C C 25 175.747 174.783 0.964 1
1 267 . 2 1 1 A 25 25 CYS CA C 25 60.192 62.033 -1.841 1
1 268 . 2 1 1 A 25 25 CYS CB C 25 30.266 27.930 2.336 1
1 269 . 2 1 1 A 25 25 CYS N N 25 119.707 119.977 -0.270 1
1 270 . 2 1 1 A 26 26 ASP H H 26 8.156 7.997 0.159 1
1 271 . 2 1 1 A 26 26 ASP HA H 26 4.364 4.491 -0.127 1
1 274 . 2 1 1 A 26 26 ASP C C 26 175.426 174.601 0.825 1
1 275 . 2 1 1 A 26 26 ASP CA C 26 56.106 55.187 0.919 1
1 276 . 2 1 1 A 26 26 ASP CB C 26 40.889 38.503 2.386 1
1 277 . 2 1 1 A 26 26 ASP N N 26 118.432 116.970 1.462 1
1 278 . 2 1 1 A 27 27 GLU H H 27 9.181 7.480 1.701 1
1 279 . 2 1 1 A 27 27 GLU HA H 27 4.379 4.683 -0.304 1
1 284 . 2 1 1 A 27 27 GLU C C 27 175.329 174.950 0.379 1
1 285 . 2 1 1 A 27 27 GLU CA C 27 58.179 54.634 3.545 1
1 286 . 2 1 1 A 27 27 GLU CB C 27 30.604 31.926 -1.322 1
1 288 . 2 1 1 A 27 27 GLU N N 27 122.798 116.502 6.296 1
1 289 . 2 1 1 A 28 28 TRP H H 28 8.472 8.698 -0.226 1
1 290 . 2 1 1 A 28 28 TRP HA H 28 4.934 5.585 -0.651 1
1 299 . 2 1 1 A 28 28 TRP C C 28 175.838 175.561 0.277 1
1 300 . 2 1 1 A 28 28 TRP CA C 28 57.313 55.280 2.033 1
1 301 . 2 1 1 A 28 28 TRP CB C 28 31.956 31.563 0.393 1
1 307 . 2 1 1 A 28 28 TRP N N 28 117.567 119.283 -1.716 1
1 309 . 2 1 1 A 29 29 PHE H H 29 9.792 9.395 0.397 1
1 310 . 2 1 1 A 29 29 PHE HA H 29 4.865 5.575 -0.710 1
1 316 . 2 1 1 A 29 29 PHE C C 29 176.573 174.896 1.677 1
1 317 . 2 1 1 A 29 29 PHE CA C 29 56.788 56.334 0.454 1
1 318 . 2 1 1 A 29 29 PHE CB C 29 42.755 43.631 -0.876 1
1 322 . 2 1 1 A 29 29 PHE N N 29 120.754 120.452 0.302 1
1 323 . 2 1 1 A 30 30 HIS H H 30 9.889 8.453 1.436 1
1 324 . 2 1 1 A 30 30 HIS HA H 30 4.383 5.199 -0.816 1
1 328 . 2 1 1 A 30 30 HIS C C 30 177.229 176.367 0.862 1
1 329 . 2 1 1 A 30 30 HIS CA C 30 57.127 55.065 2.062 1
1 330 . 2 1 1 A 30 30 HIS CB C 30 29.589 31.329 -1.740 1
1 332 . 2 1 1 A 30 30 HIS N N 30 124.925 118.598 6.327 1
1 333 . 2 1 1 A 31 31 GLN H H 31 8.636 9.022 -0.386 1
1 334 . 2 1 1 A 31 31 GLN HA H 31 3.563 3.836 -0.273 1
1 341 . 2 1 1 A 31 31 GLN C C 31 178.836 177.974 0.862 1
1 342 . 2 1 1 A 31 31 GLN CA C 31 60.702 59.803 0.899 1
1 343 . 2 1 1 A 31 31 GLN CB C 31 26.688 28.465 -1.777 1
1 345 . 2 1 1 A 31 31 GLN N N 31 124.356 122.775 1.581 1
1 347 . 2 1 1 A 32 32 VAL H H 32 8.975 7.862 1.113 1
1 348 . 2 1 1 A 32 32 VAL HA H 32 4.096 3.867 0.229 1
1 356 . 2 1 1 A 32 32 VAL CA C 32 64.568 64.528 0.040 1
1 357 . 2 1 1 A 32 32 VAL CB C 32 31.689 31.551 0.138 1
1 360 . 2 1 1 A 32 32 VAL N N 32 114.507 114.613 -0.106 1
1 361 . 2 1 1 A 33 33 CYS H H 33 6.770 7.948 -1.178 1
1 362 . 2 1 1 A 33 33 CYS HA H 33 4.139 4.271 -0.132 1
1 365 . 2 1 1 A 33 33 CYS C C 33 177.175 176.472 0.703 1
1 366 . 2 1 1 A 33 33 CYS CA C 33 62.799 61.294 1.505 1
1 367 . 2 1 1 A 33 33 CYS CB C 33 29.256 27.201 2.055 1
1 368 . 2 1 1 A 33 33 CYS N N 33 120.275 120.127 0.148 1
1 369 . 2 1 1 A 34 34 VAL H H 34 7.144 7.413 -0.269 1
1 370 . 2 1 1 A 34 34 VAL HA H 34 4.599 4.135 0.464 1
1 378 . 2 1 1 A 34 34 VAL C C 34 176.099 176.233 -0.134 1
1 379 . 2 1 1 A 34 34 VAL CA C 34 60.218 63.052 -2.834 1
1 380 . 2 1 1 A 34 34 VAL CB C 34 31.918 32.589 -0.671 1
1 383 . 2 1 1 A 34 34 VAL N N 34 106.458 119.045 -12.587 1
1 384 . 2 1 1 A 35 35 GLY H H 35 7.519 7.803 -0.284 1
1 385 . 2 1 1 A 35 35 GLY HA2 H 35 3.897 3.976 -0.079 1
1 386 . 2 1 1 A 35 35 GLY HA3 H 35 3.954 3.983 -0.029 1
1 387 . 2 1 1 A 35 35 GLY C C 35 174.669 174.293 0.376 1
1 388 . 2 1 1 A 35 35 GLY CA C 35 47.173 45.938 1.235 1
1 389 . 2 1 1 A 35 35 GLY N N 35 110.261 109.707 0.554 1
1 390 . 2 1 1 A 36 36 VAL H H 36 7.556 8.301 -0.745 1
1 391 . 2 1 1 A 36 36 VAL HA H 36 4.480 4.267 0.213 1
1 399 . 2 1 1 A 36 36 VAL C C 36 174.103 174.749 -0.646 1
1 400 . 2 1 1 A 36 36 VAL CA C 36 60.273 61.311 -1.038 1
1 401 . 2 1 1 A 36 36 VAL CB C 36 34.388 33.344 1.044 1
1 404 . 2 1 1 A 36 36 VAL N N 36 117.579 119.982 -2.403 1
1 405 . 2 1 1 A 37 37 SER H H 37 8.097 8.443 -0.346 1
1 406 . 2 1 1 A 37 37 SER HA H 37 4.846 4.930 -0.084 1
1 409 . 2 1 1 A 37 37 SER CA C 37 55.675 55.162 0.513 1
1 410 . 2 1 1 A 37 37 SER CB C 37 63.614 64.907 -1.293 1
1 411 . 2 1 1 A 37 37 SER N N 37 122.439 118.484 3.955 1
1 412 . 2 1 1 A 38 38 PRO HA H 38 4.467 4.313 0.154 1
1 418 . 2 1 1 A 38 38 PRO C C 38 179.393 177.929 1.464 1
1 419 . 2 1 1 A 38 38 PRO CA C 38 65.685 65.675 0.010 1
1 420 . 2 1 1 A 38 38 PRO CB C 38 32.027 31.669 0.358 1
1 423 . 2 1 1 A 39 39 GLU H H 39 8.536 8.383 0.153 1
1 424 . 2 1 1 A 39 39 GLU HA H 39 4.080 4.103 -0.023 1
1 429 . 2 1 1 A 39 39 GLU C C 39 178.722 178.904 -0.182 1
1 430 . 2 1 1 A 39 39 GLU CA C 39 59.711 59.441 0.270 1
1 431 . 2 1 1 A 39 39 GLU CB C 39 28.947 29.009 -0.062 1
1 433 . 2 1 1 A 39 39 GLU N N 39 116.083 118.143 -2.060 1
1 434 . 2 1 1 A 40 40 MET H H 40 7.578 8.129 -0.551 1
1 435 . 2 1 1 A 40 40 MET HA H 40 4.224 4.184 0.040 1
1 439 . 2 1 1 A 40 40 MET C C 40 178.433 178.102 0.331 1
1 440 . 2 1 1 A 40 40 MET CA C 40 58.112 58.607 -0.495 1
1 441 . 2 1 1 A 40 40 MET CB C 40 33.685 33.205 0.480 1
1 443 . 2 1 1 A 40 40 MET N N 40 119.520 118.785 0.735 1
1 444 . 2 1 1 A 41 41 ALA H H 41 8.324 7.579 0.745 1
1 445 . 2 1 1 A 41 41 ALA HA H 41 3.975 4.160 -0.185 1
1 449 . 2 1 1 A 41 41 ALA C C 41 177.857 178.800 -0.943 1
1 450 . 2 1 1 A 41 41 ALA CA C 41 54.797 54.337 0.460 1
1 451 . 2 1 1 A 41 41 ALA CB C 41 18.982 18.322 0.660 1
1 452 . 2 1 1 A 41 41 ALA N N 41 121.259 121.244 0.015 1
1 453 . 2 1 1 A 42 42 GLU H H 42 7.833 7.864 -0.031 1
1 454 . 2 1 1 A 42 42 GLU HA H 42 4.273 4.247 0.026 1
1 458 . 2 1 1 A 42 42 GLU C C 42 178.431 177.559 0.872 1
1 459 . 2 1 1 A 42 42 GLU CA C 42 58.268 57.880 0.388 1
1 460 . 2 1 1 A 42 42 GLU CB C 42 30.338 29.924 0.414 1
1 462 . 2 1 1 A 42 42 GLU N N 42 112.040 116.536 -4.496 1
1 463 . 2 1 1 A 43 43 ASN H H 43 7.688 7.769 -0.081 1
1 464 . 2 1 1 A 43 43 ASN HA H 43 4.764 4.775 -0.011 1
1 469 . 2 1 1 A 43 43 ASN C C 43 174.879 174.647 0.232 1
1 470 . 2 1 1 A 43 43 ASN CA C 43 54.854 54.821 0.033 1
1 471 . 2 1 1 A 43 43 ASN CB C 43 41.148 40.148 1.000 1
1 472 . 2 1 1 A 43 43 ASN N N 43 113.488 118.324 -4.836 1
1 474 . 2 1 1 A 44 44 GLU H H 44 7.861 7.806 0.055 1
1 475 . 2 1 1 A 44 44 GLU HA H 44 4.777 4.781 -0.004 1
1 480 . 2 1 1 A 44 44 GLU C C 44 176.482 175.736 0.746 1
1 481 . 2 1 1 A 44 44 GLU CA C 44 54.576 54.526 0.050 1
1 482 . 2 1 1 A 44 44 GLU CB C 44 32.781 34.569 -1.788 1
1 484 . 2 1 1 A 44 44 GLU N N 44 118.109 115.819 2.290 1
1 485 . 2 1 1 A 45 45 ASP H H 45 8.707 8.655 0.052 1
1 486 . 2 1 1 A 45 45 ASP HA H 45 4.755 4.632 0.123 1
1 488 . 2 1 1 A 45 45 ASP C C 45 176.643 175.318 1.325 1
1 489 . 2 1 1 A 45 45 ASP CA C 45 54.764 54.878 -0.114 1
1 490 . 2 1 1 A 45 45 ASP CB C 45 40.807 40.736 0.071 1
1 491 . 2 1 1 A 45 45 ASP N N 45 123.334 121.780 1.554 1
1 492 . 2 1 1 A 46 46 TYR H H 46 9.868 8.613 1.255 1
1 493 . 2 1 1 A 46 46 TYR HA H 46 4.671 5.360 -0.689 1
1 498 . 2 1 1 A 46 46 TYR C C 46 172.045 174.025 -1.980 1
1 499 . 2 1 1 A 46 46 TYR CA C 46 58.409 56.102 2.307 1
1 500 . 2 1 1 A 46 46 TYR CB C 46 40.085 41.093 -1.008 1
1 503 . 2 1 1 A 46 46 TYR N N 46 124.561 125.004 -0.443 1
1 504 . 2 1 1 A 47 47 ILE H H 47 7.520 8.873 -1.353 1
1 505 . 2 1 1 A 47 47 ILE HA H 47 4.344 4.460 -0.116 1
1 515 . 2 1 1 A 47 47 ILE C C 47 174.691 175.792 -1.101 1
1 516 . 2 1 1 A 47 47 ILE CA C 47 58.279 59.931 -1.652 1
1 517 . 2 1 1 A 47 47 ILE CB C 47 37.652 38.803 -1.151 1
1 521 . 2 1 1 A 47 47 ILE N N 47 128.737 128.164 0.573 1
1 522 . 2 1 1 A 48 48 CYS H H 48 9.142 8.369 0.773 1
1 523 . 2 1 1 A 48 48 CYS HA H 48 4.126 4.295 -0.169 1
1 526 . 2 1 1 A 48 48 CYS C C 48 175.153 176.340 -1.187 1
1 527 . 2 1 1 A 48 48 CYS CA C 48 58.302 57.727 0.575 1
1 528 . 2 1 1 A 48 48 CYS CB C 48 32.494 29.669 2.825 1
1 529 . 2 1 1 A 48 48 CYS N N 48 130.912 126.993 3.919 1
1 530 . 2 1 1 A 49 49 ILE H H 49 7.748 8.672 -0.924 1
1 531 . 2 1 1 A 49 49 ILE HA H 49 3.956 3.771 0.185 1
1 541 . 2 1 1 A 49 49 ILE C C 49 177.115 177.602 -0.487 1
1 542 . 2 1 1 A 49 49 ILE CA C 49 63.096 63.980 -0.884 1
1 543 . 2 1 1 A 49 49 ILE CB C 49 38.630 37.573 1.057 1
1 547 . 2 1 1 A 49 49 ILE N N 49 113.518 118.547 -5.029 1
1 548 . 2 1 1 A 50 50 ASN H H 50 8.859 8.329 0.530 1
1 549 . 2 1 1 A 50 50 ASN HA H 50 4.709 4.647 0.062 1
1 554 . 2 1 1 A 50 50 ASN C C 50 176.868 176.092 0.776 1
1 555 . 2 1 1 A 50 50 ASN CA C 50 55.433 55.115 0.318 1
1 556 . 2 1 1 A 50 50 ASN CB C 50 39.690 38.301 1.389 1
1 557 . 2 1 1 A 50 50 ASN N N 50 121.721 119.416 2.305 1
1 559 . 2 1 1 A 51 51 CYS H H 51 8.213 7.731 0.482 1
1 560 . 2 1 1 A 51 51 CYS HA H 51 4.113 4.703 -0.590 1
1 563 . 2 1 1 A 51 51 CYS C C 51 174.832 174.053 0.779 1
1 564 . 2 1 1 A 51 51 CYS CA C 51 62.048 58.342 3.706 1
1 565 . 2 1 1 A 51 51 CYS CB C 51 31.516 28.853 2.663 1
1 566 . 2 1 1 A 51 51 CYS N N 51 123.810 116.840 6.970 1
1 3 . 3 1 1 A 2 2 VAL H H 2 8.368 8.066 0.302 1
1 4 . 3 1 1 A 2 2 VAL HA H 2 5.250 4.624 0.626 1
1 12 . 3 1 1 A 2 2 VAL C C 2 176.070 174.773 1.297 1
1 13 . 3 1 1 A 2 2 VAL CA C 2 60.705 61.324 -0.619 1
1 14 . 3 1 1 A 2 2 VAL CB C 2 34.398 33.899 0.499 1
1 17 . 3 1 1 A 2 2 VAL N N 2 119.964 118.366 1.598 1
1 18 . 3 1 1 A 3 3 CYS H H 3 9.183 9.197 -0.014 1
1 19 . 3 1 1 A 3 3 CYS HA H 3 5.172 5.275 -0.103 1
1 22 . 3 1 1 A 3 3 CYS C C 3 173.772 173.856 -0.084 1
1 23 . 3 1 1 A 3 3 CYS CA C 3 56.558 56.221 0.337 1
1 24 . 3 1 1 A 3 3 CYS CB C 3 32.206 31.097 1.109 1
1 25 . 3 1 1 A 3 3 CYS N N 3 128.120 124.876 3.244 1
1 26 . 3 1 1 A 4 4 ALA H H 4 7.110 8.390 -1.280 1
1 27 . 3 1 1 A 4 4 ALA HA H 4 4.234 4.686 -0.452 1
1 31 . 3 1 1 A 4 4 ALA C C 4 177.661 176.313 1.348 1
1 32 . 3 1 1 A 4 4 ALA CA C 4 52.987 51.389 1.598 1
1 33 . 3 1 1 A 4 4 ALA CB C 4 19.004 17.809 1.195 1
1 34 . 3 1 1 A 4 4 ALA N N 4 117.697 123.688 -5.991 1
1 35 . 3 1 1 A 5 5 ALA H H 5 9.154 7.439 1.715 1
1 36 . 3 1 1 A 5 5 ALA HA H 5 4.565 4.757 -0.192 1
1 40 . 3 1 1 A 5 5 ALA C C 5 177.851 177.747 0.104 1
1 41 . 3 1 1 A 5 5 ALA CA C 5 53.029 50.808 2.221 1
1 42 . 3 1 1 A 5 5 ALA CB C 5 19.533 20.721 -1.188 1
1 43 . 3 1 1 A 5 5 ALA N N 5 125.563 122.853 2.710 1
1 44 . 3 1 1 A 6 6 GLN H H 6 8.946 8.964 -0.018 1
1 45 . 3 1 1 A 6 6 GLN HA H 6 4.098 3.988 0.110 1
1 52 . 3 1 1 A 6 6 GLN C C 6 176.708 177.049 -0.341 1
1 53 . 3 1 1 A 6 6 GLN CA C 6 58.555 59.439 -0.884 1
1 54 . 3 1 1 A 6 6 GLN CB C 6 28.397 28.974 -0.577 1
1 56 . 3 1 1 A 6 6 GLN N N 6 122.944 123.045 -0.101 1
1 58 . 3 1 1 A 7 7 ASN H H 7 8.399 7.770 0.629 1
1 59 . 3 1 1 A 7 7 ASN HA H 7 4.848 4.977 -0.129 1
1 64 . 3 1 1 A 7 7 ASN C C 7 173.923 174.646 -0.723 1
1 65 . 3 1 1 A 7 7 ASN CA C 7 51.808 52.774 -0.966 1
1 66 . 3 1 1 A 7 7 ASN CB C 7 37.850 39.018 -1.168 1
1 67 . 3 1 1 A 7 7 ASN N N 7 115.700 114.656 1.044 1
1 69 . 3 1 1 A 8 8 CYS H H 8 7.655 7.224 0.431 1
1 70 . 3 1 1 A 8 8 CYS HA H 8 4.947 4.427 0.520 1
1 73 . 3 1 1 A 8 8 CYS C C 8 177.267 174.658 2.609 1
1 74 . 3 1 1 A 8 8 CYS CA C 8 59.479 60.003 -0.524 1
1 75 . 3 1 1 A 8 8 CYS CB C 8 29.085 28.400 0.685 1
1 76 . 3 1 1 A 8 8 CYS N N 8 122.410 119.773 2.637 1
1 77 . 3 1 1 A 9 9 GLN H H 9 9.901 8.725 1.176 1
1 78 . 3 1 1 A 9 9 GLN HA H 9 4.193 4.922 -0.729 1
1 85 . 3 1 1 A 9 9 GLN C C 9 175.088 174.558 0.530 1
1 86 . 3 1 1 A 9 9 GLN CA C 9 56.730 54.630 2.100 1
1 87 . 3 1 1 A 9 9 GLN CB C 9 28.833 31.511 -2.678 1
1 89 . 3 1 1 A 9 9 GLN N N 9 133.116 124.382 8.734 1
1 91 . 3 1 1 A 10 10 ARG H H 10 10.013 8.682 1.331 1
1 92 . 3 1 1 A 10 10 ARG HA H 10 4.138 4.898 -0.760 1
1 98 . 3 1 1 A 10 10 ARG CA C 10 55.426 52.446 2.980 1
1 99 . 3 1 1 A 10 10 ARG CB C 10 28.647 30.642 -1.995 1
1 102 . 3 1 1 A 10 10 ARG N N 10 121.692 122.549 -0.857 1
1 103 . 3 1 1 A 11 11 PRO HA H 11 4.178 4.232 -0.054 1
1 110 . 3 1 1 A 11 11 PRO C C 11 177.355 177.424 -0.069 1
1 111 . 3 1 1 A 11 11 PRO CA C 11 63.005 65.680 -2.675 1
1 112 . 3 1 1 A 11 11 PRO CB C 11 31.662 31.340 0.322 1
1 115 . 3 1 1 A 12 12 CYS H H 12 8.662 7.931 0.731 1
1 116 . 3 1 1 A 12 12 CYS HA H 12 4.629 4.126 0.503 1
1 119 . 3 1 1 A 12 12 CYS C C 12 173.972 174.060 -0.088 1
1 120 . 3 1 1 A 12 12 CYS CA C 12 58.103 60.433 -2.330 1
1 121 . 3 1 1 A 12 12 CYS CB C 12 27.951 26.508 1.443 1
1 122 . 3 1 1 A 12 12 CYS N N 12 120.690 114.893 5.797 1
1 123 . 3 1 1 A 13 13 LYS H H 13 7.138 7.866 -0.728 1
1 124 . 3 1 1 A 13 13 LYS HA H 13 4.406 4.322 0.084 1
1 131 . 3 1 1 A 13 13 LYS C C 13 174.846 177.707 -2.861 1
1 132 . 3 1 1 A 13 13 LYS CA C 13 55.401 55.845 -0.444 1
1 133 . 3 1 1 A 13 13 LYS CB C 13 34.650 33.368 1.282 1
1 137 . 3 1 1 A 13 13 LYS N N 13 121.573 119.805 1.768 1
1 138 . 3 1 1 A 14 14 ASP H H 14 8.395 8.706 -0.311 1
1 139 . 3 1 1 A 14 14 ASP HA H 14 4.301 4.361 -0.060 1
1 142 . 3 1 1 A 14 14 ASP C C 14 176.114 176.714 -0.600 1
1 143 . 3 1 1 A 14 14 ASP CA C 14 57.107 57.026 0.081 1
1 144 . 3 1 1 A 14 14 ASP CB C 14 40.801 41.144 -0.343 1
1 145 . 3 1 1 A 14 14 ASP N N 14 118.919 120.616 -1.697 1
1 146 . 3 1 1 A 15 15 LYS H H 15 7.593 8.005 -0.412 1
1 147 . 3 1 1 A 15 15 LYS HA H 15 4.818 4.752 0.066 1
1 155 . 3 1 1 A 15 15 LYS C C 15 175.145 176.065 -0.920 1
1 156 . 3 1 1 A 15 15 LYS CA C 15 55.491 55.618 -0.127 1
1 157 . 3 1 1 A 15 15 LYS CB C 15 34.485 33.680 0.805 1
1 161 . 3 1 1 A 15 15 LYS N N 15 117.259 117.808 -0.549 1
1 162 . 3 1 1 A 16 16 VAL H H 16 8.811 9.068 -0.257 1
1 163 . 3 1 1 A 16 16 VAL HA H 16 4.083 4.955 -0.872 1
1 171 . 3 1 1 A 16 16 VAL C C 16 174.356 174.322 0.034 1
1 172 . 3 1 1 A 16 16 VAL CA C 16 61.679 58.977 2.702 1
1 173 . 3 1 1 A 16 16 VAL CB C 16 34.315 35.408 -1.093 1
1 176 . 3 1 1 A 16 16 VAL N N 16 123.375 117.961 5.414 1
1 177 . 3 1 1 A 17 17 ASP H H 17 7.938 8.480 -0.542 1
1 178 . 3 1 1 A 17 17 ASP HA H 17 5.639 5.369 0.270 1
1 181 . 3 1 1 A 17 17 ASP C C 17 177.550 175.331 2.219 1
1 182 . 3 1 1 A 17 17 ASP CA C 17 54.991 53.207 1.784 1
1 183 . 3 1 1 A 17 17 ASP CB C 17 43.020 43.131 -0.111 1
1 184 . 3 1 1 A 17 17 ASP N N 17 124.698 121.868 2.830 1
1 185 . 3 1 1 A 18 18 TRP H H 18 9.636 9.077 0.559 1
1 186 . 3 1 1 A 18 18 TRP HA H 18 5.793 6.029 -0.236 1
1 195 . 3 1 1 A 18 18 TRP C C 18 176.051 175.395 0.656 1
1 196 . 3 1 1 A 18 18 TRP CA C 18 56.881 55.962 0.919 1
1 197 . 3 1 1 A 18 18 TRP CB C 18 34.097 34.844 -0.747 1
1 203 . 3 1 1 A 18 18 TRP N N 18 123.330 121.579 1.751 1
1 205 . 3 1 1 A 19 19 VAL H H 19 10.592 9.101 1.491 1
1 206 . 3 1 1 A 19 19 VAL HA H 19 5.409 4.953 0.456 1
1 214 . 3 1 1 A 19 19 VAL C C 19 170.168 173.780 -3.612 1
1 215 . 3 1 1 A 19 19 VAL CA C 19 60.297 60.843 -0.546 1
1 216 . 3 1 1 A 19 19 VAL CB C 19 36.269 36.207 0.062 1
1 219 . 3 1 1 A 19 19 VAL N N 19 122.558 120.119 2.439 1
1 220 . 3 1 1 A 20 20 GLN H H 20 8.359 8.804 -0.445 1
1 221 . 3 1 1 A 20 20 GLN HA H 20 4.728 4.694 0.034 1
1 228 . 3 1 1 A 20 20 GLN C C 20 176.280 175.259 1.021 1
1 229 . 3 1 1 A 20 20 GLN CA C 20 53.251 53.461 -0.210 1
1 230 . 3 1 1 A 20 20 GLN CB C 20 28.640 31.294 -2.654 1
1 232 . 3 1 1 A 20 20 GLN N N 20 132.425 126.250 6.175 1
1 234 . 3 1 1 A 21 21 CYS H H 21 8.618 8.495 0.123 1
1 235 . 3 1 1 A 21 21 CYS HA H 21 4.601 5.152 -0.551 1
1 238 . 3 1 1 A 21 21 CYS C C 21 177.580 175.015 2.565 1
1 239 . 3 1 1 A 21 21 CYS CA C 21 61.339 59.190 2.149 1
1 240 . 3 1 1 A 21 21 CYS CB C 21 32.597 28.439 4.158 1
1 241 . 3 1 1 A 21 21 CYS N N 21 128.017 124.916 3.101 1
1 242 . 3 1 1 A 22 22 ASP H H 22 10.211 9.356 0.855 1
1 243 . 3 1 1 A 22 22 ASP HA H 22 4.926 4.872 0.054 1
1 246 . 3 1 1 A 22 22 ASP C C 22 177.366 177.020 0.346 1
1 247 . 3 1 1 A 22 22 ASP CA C 22 56.782 54.133 2.649 1
1 248 . 3 1 1 A 22 22 ASP CB C 22 43.715 41.516 2.199 1
1 249 . 3 1 1 A 22 22 ASP N N 22 128.881 125.733 3.148 1
1 250 . 3 1 1 A 23 23 GLY H H 23 11.136 7.928 3.208 1
1 251 . 3 1 1 A 23 23 GLY HA2 H 23 3.556 3.941 -0.385 1
1 252 . 3 1 1 A 23 23 GLY HA3 H 23 4.026 3.955 0.071 1
1 253 . 3 1 1 A 23 23 GLY C C 23 173.584 174.627 -1.043 1
1 254 . 3 1 1 A 23 23 GLY CA C 23 45.651 45.283 0.368 1
1 255 . 3 1 1 A 23 23 GLY N N 23 117.638 107.698 9.940 1
1 256 . 3 1 1 A 24 24 GLY H H 24 8.906 7.752 1.154 1
1 257 . 3 1 1 A 24 24 GLY HA2 H 24 3.451 3.973 -0.522 1
1 258 . 3 1 1 A 24 24 GLY HA3 H 24 4.722 3.978 0.744 1
1 259 . 3 1 1 A 24 24 GLY C C 24 175.467 174.957 0.510 1
1 260 . 3 1 1 A 24 24 GLY CA C 24 45.165 45.276 -0.111 1
1 261 . 3 1 1 A 24 24 GLY N N 24 109.634 107.326 2.308 1
1 262 . 3 1 1 A 25 25 CYS H H 25 7.599 7.995 -0.396 1
1 263 . 3 1 1 A 25 25 CYS HA H 25 4.450 4.267 0.183 1
1 266 . 3 1 1 A 25 25 CYS C C 25 175.747 174.668 1.079 1
1 267 . 3 1 1 A 25 25 CYS CA C 25 60.192 60.515 -0.323 1
1 268 . 3 1 1 A 25 25 CYS CB C 25 30.266 28.485 1.781 1
1 269 . 3 1 1 A 25 25 CYS N N 25 119.707 119.967 -0.260 1
1 270 . 3 1 1 A 26 26 ASP H H 26 8.156 8.024 0.132 1
1 271 . 3 1 1 A 26 26 ASP HA H 26 4.364 4.286 0.078 1
1 274 . 3 1 1 A 26 26 ASP C C 26 175.426 174.748 0.678 1
1 275 . 3 1 1 A 26 26 ASP CA C 26 56.106 55.449 0.657 1
1 276 . 3 1 1 A 26 26 ASP CB C 26 40.889 39.255 1.634 1
1 277 . 3 1 1 A 26 26 ASP N N 26 118.432 117.655 0.777 1
1 278 . 3 1 1 A 27 27 GLU H H 27 9.181 7.796 1.385 1
1 279 . 3 1 1 A 27 27 GLU HA H 27 4.379 4.606 -0.227 1
1 284 . 3 1 1 A 27 27 GLU C C 27 175.329 175.494 -0.165 1
1 285 . 3 1 1 A 27 27 GLU CA C 27 58.179 54.657 3.522 1
1 286 . 3 1 1 A 27 27 GLU CB C 27 30.604 30.824 -0.220 1
1 288 . 3 1 1 A 27 27 GLU N N 27 122.798 117.131 5.667 1
1 289 . 3 1 1 A 28 28 TRP H H 28 8.472 8.825 -0.353 1
1 290 . 3 1 1 A 28 28 TRP HA H 28 4.934 5.659 -0.725 1
1 299 . 3 1 1 A 28 28 TRP C C 28 175.838 175.803 0.035 1
1 300 . 3 1 1 A 28 28 TRP CA C 28 57.313 55.263 2.050 1
1 301 . 3 1 1 A 28 28 TRP CB C 28 31.956 30.951 1.005 1
1 307 . 3 1 1 A 28 28 TRP N N 28 117.567 119.986 -2.419 1
1 309 . 3 1 1 A 29 29 PHE H H 29 9.792 9.486 0.306 1
1 310 . 3 1 1 A 29 29 PHE HA H 29 4.865 5.539 -0.674 1
1 316 . 3 1 1 A 29 29 PHE C C 29 176.573 174.953 1.620 1
1 317 . 3 1 1 A 29 29 PHE CA C 29 56.788 56.266 0.522 1
1 318 . 3 1 1 A 29 29 PHE CB C 29 42.755 43.577 -0.822 1
1 322 . 3 1 1 A 29 29 PHE N N 29 120.754 121.105 -0.351 1
1 323 . 3 1 1 A 30 30 HIS H H 30 9.889 8.470 1.419 1
1 324 . 3 1 1 A 30 30 HIS HA H 30 4.383 4.981 -0.598 1
1 328 . 3 1 1 A 30 30 HIS C C 30 177.229 176.303 0.926 1
1 329 . 3 1 1 A 30 30 HIS CA C 30 57.127 54.997 2.130 1
1 330 . 3 1 1 A 30 30 HIS CB C 30 29.589 31.777 -2.188 1
1 332 . 3 1 1 A 30 30 HIS N N 30 124.925 118.281 6.644 1
1 333 . 3 1 1 A 31 31 GLN H H 31 8.636 9.018 -0.382 1
1 334 . 3 1 1 A 31 31 GLN HA H 31 3.563 3.813 -0.250 1
1 341 . 3 1 1 A 31 31 GLN C C 31 178.836 177.938 0.898 1
1 342 . 3 1 1 A 31 31 GLN CA C 31 60.702 59.782 0.920 1
1 343 . 3 1 1 A 31 31 GLN CB C 31 26.688 28.384 -1.696 1
1 345 . 3 1 1 A 31 31 GLN N N 31 124.356 122.821 1.535 1
1 347 . 3 1 1 A 32 32 VAL H H 32 8.975 7.940 1.035 1
1 348 . 3 1 1 A 32 32 VAL HA H 32 4.096 3.870 0.226 1
1 356 . 3 1 1 A 32 32 VAL CA C 32 64.568 64.602 -0.034 1
1 357 . 3 1 1 A 32 32 VAL CB C 32 31.689 31.477 0.212 1
1 360 . 3 1 1 A 32 32 VAL N N 32 114.507 115.576 -1.069 1
1 361 . 3 1 1 A 33 33 CYS H H 33 6.770 7.681 -0.911 1
1 362 . 3 1 1 A 33 33 CYS HA H 33 4.139 4.295 -0.156 1
1 365 . 3 1 1 A 33 33 CYS C C 33 177.175 175.575 1.600 1
1 366 . 3 1 1 A 33 33 CYS CA C 33 62.799 61.279 1.520 1
1 367 . 3 1 1 A 33 33 CYS CB C 33 29.256 27.864 1.392 1
1 368 . 3 1 1 A 33 33 CYS N N 33 120.275 119.966 0.309 1
1 369 . 3 1 1 A 34 34 VAL H H 34 7.144 7.481 -0.337 1
1 370 . 3 1 1 A 34 34 VAL HA H 34 4.599 4.223 0.376 1
1 378 . 3 1 1 A 34 34 VAL C C 34 176.099 175.966 0.133 1
1 379 . 3 1 1 A 34 34 VAL CA C 34 60.218 62.002 -1.784 1
1 380 . 3 1 1 A 34 34 VAL CB C 34 31.918 31.831 0.087 1
1 383 . 3 1 1 A 34 34 VAL N N 34 106.458 119.380 -12.922 1
1 384 . 3 1 1 A 35 35 GLY H H 35 7.519 7.847 -0.328 1
1 385 . 3 1 1 A 35 35 GLY HA2 H 35 3.897 3.918 -0.021 1
1 386 . 3 1 1 A 35 35 GLY HA3 H 35 3.954 3.933 0.021 1
1 387 . 3 1 1 A 35 35 GLY C C 35 174.669 174.563 0.106 1
1 388 . 3 1 1 A 35 35 GLY CA C 35 47.173 46.859 0.314 1
1 389 . 3 1 1 A 35 35 GLY N N 35 110.261 111.325 -1.064 1
1 390 . 3 1 1 A 36 36 VAL H H 36 7.556 8.361 -0.805 1
1 391 . 3 1 1 A 36 36 VAL HA H 36 4.480 4.277 0.203 1
1 399 . 3 1 1 A 36 36 VAL C C 36 174.103 174.520 -0.417 1
1 400 . 3 1 1 A 36 36 VAL CA C 36 60.273 60.978 -0.705 1
1 401 . 3 1 1 A 36 36 VAL CB C 36 34.388 33.233 1.155 1
1 404 . 3 1 1 A 36 36 VAL N N 36 117.579 119.806 -2.227 1
1 405 . 3 1 1 A 37 37 SER H H 37 8.097 8.443 -0.346 1
1 406 . 3 1 1 A 37 37 SER HA H 37 4.846 5.006 -0.160 1
1 409 . 3 1 1 A 37 37 SER CA C 37 55.675 54.001 1.674 1
1 410 . 3 1 1 A 37 37 SER CB C 37 63.614 64.501 -0.887 1
1 411 . 3 1 1 A 37 37 SER N N 37 122.439 119.065 3.374 1
1 412 . 3 1 1 A 38 38 PRO HA H 38 4.467 4.230 0.237 1
1 418 . 3 1 1 A 38 38 PRO C C 38 179.393 177.885 1.508 1
1 419 . 3 1 1 A 38 38 PRO CA C 38 65.685 65.298 0.387 1
1 420 . 3 1 1 A 38 38 PRO CB C 38 32.027 31.885 0.142 1
1 423 . 3 1 1 A 39 39 GLU H H 39 8.536 8.292 0.244 1
1 424 . 3 1 1 A 39 39 GLU HA H 39 4.080 4.092 -0.012 1
1 429 . 3 1 1 A 39 39 GLU C C 39 178.722 178.854 -0.132 1
1 430 . 3 1 1 A 39 39 GLU CA C 39 59.711 59.423 0.288 1
1 431 . 3 1 1 A 39 39 GLU CB C 39 28.947 29.464 -0.517 1
1 433 . 3 1 1 A 39 39 GLU N N 39 116.083 118.073 -1.990 1
1 434 . 3 1 1 A 40 40 MET H H 40 7.578 8.449 -0.871 1
1 435 . 3 1 1 A 40 40 MET HA H 40 4.224 4.207 0.017 1
1 439 . 3 1 1 A 40 40 MET C C 40 178.433 178.138 0.295 1
1 440 . 3 1 1 A 40 40 MET CA C 40 58.112 58.760 -0.648 1
1 441 . 3 1 1 A 40 40 MET CB C 40 33.685 33.066 0.619 1
1 443 . 3 1 1 A 40 40 MET N N 40 119.520 118.672 0.848 1
1 444 . 3 1 1 A 41 41 ALA H H 41 8.324 7.608 0.716 1
1 445 . 3 1 1 A 41 41 ALA HA H 41 3.975 4.104 -0.129 1
1 449 . 3 1 1 A 41 41 ALA C C 41 177.857 178.116 -0.259 1
1 450 . 3 1 1 A 41 41 ALA CA C 41 54.797 54.718 0.079 1
1 451 . 3 1 1 A 41 41 ALA CB C 41 18.982 18.308 0.674 1
1 452 . 3 1 1 A 41 41 ALA N N 41 121.259 121.251 0.008 1
1 453 . 3 1 1 A 42 42 GLU H H 42 7.833 7.585 0.248 1
1 454 . 3 1 1 A 42 42 GLU HA H 42 4.273 4.259 0.014 1
1 458 . 3 1 1 A 42 42 GLU C C 42 178.431 178.972 -0.541 1
1 459 . 3 1 1 A 42 42 GLU CA C 42 58.268 58.568 -0.300 1
1 460 . 3 1 1 A 42 42 GLU CB C 42 30.338 29.533 0.805 1
1 462 . 3 1 1 A 42 42 GLU N N 42 112.040 117.161 -5.121 1
1 463 . 3 1 1 A 43 43 ASN H H 43 7.688 7.517 0.171 1
1 464 . 3 1 1 A 43 43 ASN HA H 43 4.764 4.637 0.127 1
1 469 . 3 1 1 A 43 43 ASN C C 43 174.879 174.746 0.133 1
1 470 . 3 1 1 A 43 43 ASN CA C 43 54.854 55.572 -0.718 1
1 471 . 3 1 1 A 43 43 ASN CB C 43 41.148 39.825 1.323 1
1 472 . 3 1 1 A 43 43 ASN N N 43 113.488 118.120 -4.632 1
1 474 . 3 1 1 A 44 44 GLU H H 44 7.861 7.797 0.064 1
1 475 . 3 1 1 A 44 44 GLU HA H 44 4.777 4.851 -0.074 1
1 480 . 3 1 1 A 44 44 GLU C C 44 176.482 175.574 0.908 1
1 481 . 3 1 1 A 44 44 GLU CA C 44 54.576 54.457 0.119 1
1 482 . 3 1 1 A 44 44 GLU CB C 44 32.781 34.123 -1.342 1
1 484 . 3 1 1 A 44 44 GLU N N 44 118.109 115.024 3.085 1
1 485 . 3 1 1 A 45 45 ASP H H 45 8.707 8.520 0.187 1
1 486 . 3 1 1 A 45 45 ASP HA H 45 4.755 4.514 0.241 1
1 488 . 3 1 1 A 45 45 ASP C C 45 176.643 175.270 1.373 1
1 489 . 3 1 1 A 45 45 ASP CA C 45 54.764 54.726 0.038 1
1 490 . 3 1 1 A 45 45 ASP CB C 45 40.807 40.639 0.168 1
1 491 . 3 1 1 A 45 45 ASP N N 45 123.334 120.158 3.176 1
1 492 . 3 1 1 A 46 46 TYR H H 46 9.868 8.848 1.020 1
1 493 . 3 1 1 A 46 46 TYR HA H 46 4.671 5.319 -0.648 1
1 498 . 3 1 1 A 46 46 TYR C C 46 172.045 174.019 -1.974 1
1 499 . 3 1 1 A 46 46 TYR CA C 46 58.409 56.148 2.261 1
1 500 . 3 1 1 A 46 46 TYR CB C 46 40.085 40.889 -0.804 1
1 503 . 3 1 1 A 46 46 TYR N N 46 124.561 125.147 -0.586 1
1 504 . 3 1 1 A 47 47 ILE H H 47 7.520 8.787 -1.267 1
1 505 . 3 1 1 A 47 47 ILE HA H 47 4.344 4.490 -0.146 1
1 515 . 3 1 1 A 47 47 ILE C C 47 174.691 175.476 -0.785 1
1 516 . 3 1 1 A 47 47 ILE CA C 47 58.279 59.920 -1.641 1
1 517 . 3 1 1 A 47 47 ILE CB C 47 37.652 39.268 -1.616 1
1 521 . 3 1 1 A 47 47 ILE N N 47 128.737 127.893 0.844 1
1 522 . 3 1 1 A 48 48 CYS H H 48 9.142 8.387 0.755 1
1 523 . 3 1 1 A 48 48 CYS HA H 48 4.126 4.178 -0.052 1
1 526 . 3 1 1 A 48 48 CYS C C 48 175.153 176.273 -1.120 1
1 527 . 3 1 1 A 48 48 CYS CA C 48 58.302 58.397 -0.095 1
1 528 . 3 1 1 A 48 48 CYS CB C 48 32.494 29.297 3.197 1
1 529 . 3 1 1 A 48 48 CYS N N 48 130.912 127.119 3.793 1
1 530 . 3 1 1 A 49 49 ILE H H 49 7.748 8.623 -0.875 1
1 531 . 3 1 1 A 49 49 ILE HA H 49 3.956 3.783 0.173 1
1 541 . 3 1 1 A 49 49 ILE C C 49 177.115 177.379 -0.264 1
1 542 . 3 1 1 A 49 49 ILE CA C 49 63.096 63.436 -0.340 1
1 543 . 3 1 1 A 49 49 ILE CB C 49 38.630 37.742 0.888 1
1 547 . 3 1 1 A 49 49 ILE N N 49 113.518 119.071 -5.553 1
1 548 . 3 1 1 A 50 50 ASN H H 50 8.859 8.365 0.494 1
1 549 . 3 1 1 A 50 50 ASN HA H 50 4.709 4.575 0.134 1
1 554 . 3 1 1 A 50 50 ASN C C 50 176.868 176.681 0.187 1
1 555 . 3 1 1 A 50 50 ASN CA C 50 55.433 55.752 -0.319 1
1 556 . 3 1 1 A 50 50 ASN CB C 50 39.690 38.620 1.070 1
1 557 . 3 1 1 A 50 50 ASN N N 50 121.721 119.680 2.041 1
1 559 . 3 1 1 A 51 51 CYS H H 51 8.213 7.659 0.554 1
1 560 . 3 1 1 A 51 51 CYS HA H 51 4.113 4.561 -0.448 1
1 563 . 3 1 1 A 51 51 CYS C C 51 174.832 174.528 0.304 1
1 564 . 3 1 1 A 51 51 CYS CA C 51 62.048 58.330 3.718 1
1 565 . 3 1 1 A 51 51 CYS CB C 51 31.516 28.209 3.307 1
1 566 . 3 1 1 A 51 51 CYS N N 51 123.810 115.061 8.749 1
1 3 . 4 1 1 A 2 2 VAL H H 2 8.368 7.962 0.406 1
1 4 . 4 1 1 A 2 2 VAL HA H 2 5.250 4.556 0.694 1
1 12 . 4 1 1 A 2 2 VAL C C 2 176.070 175.294 0.776 1
1 13 . 4 1 1 A 2 2 VAL CA C 2 60.705 61.354 -0.649 1
1 14 . 4 1 1 A 2 2 VAL CB C 2 34.398 33.789 0.609 1
1 17 . 4 1 1 A 2 2 VAL N N 2 119.964 119.562 0.402 1
1 18 . 4 1 1 A 3 3 CYS H H 3 9.183 8.826 0.357 1
1 19 . 4 1 1 A 3 3 CYS HA H 3 5.172 5.073 0.099 1
1 22 . 4 1 1 A 3 3 CYS C C 3 173.772 174.317 -0.545 1
1 23 . 4 1 1 A 3 3 CYS CA C 3 56.558 56.740 -0.182 1
1 24 . 4 1 1 A 3 3 CYS CB C 3 32.206 29.621 2.585 1
1 25 . 4 1 1 A 3 3 CYS N N 3 128.120 125.056 3.064 1
1 26 . 4 1 1 A 4 4 ALA H H 4 7.110 8.585 -1.475 1
1 27 . 4 1 1 A 4 4 ALA HA H 4 4.234 4.716 -0.482 1
1 31 . 4 1 1 A 4 4 ALA C C 4 177.661 176.585 1.076 1
1 32 . 4 1 1 A 4 4 ALA CA C 4 52.987 51.616 1.371 1
1 33 . 4 1 1 A 4 4 ALA CB C 4 19.004 19.163 -0.159 1
1 34 . 4 1 1 A 4 4 ALA N N 4 117.697 123.961 -6.264 1
1 35 . 4 1 1 A 5 5 ALA H H 5 9.154 8.303 0.851 1
1 36 . 4 1 1 A 5 5 ALA HA H 5 4.565 4.512 0.053 1
1 40 . 4 1 1 A 5 5 ALA C C 5 177.851 177.460 0.391 1
1 41 . 4 1 1 A 5 5 ALA CA C 5 53.029 52.036 0.993 1
1 42 . 4 1 1 A 5 5 ALA CB C 5 19.533 20.244 -0.711 1
1 43 . 4 1 1 A 5 5 ALA N N 5 125.563 125.830 -0.267 1
1 44 . 4 1 1 A 6 6 GLN H H 6 8.946 8.748 0.198 1
1 45 . 4 1 1 A 6 6 GLN HA H 6 4.098 4.105 -0.007 1
1 52 . 4 1 1 A 6 6 GLN C C 6 176.708 176.336 0.372 1
1 53 . 4 1 1 A 6 6 GLN CA C 6 58.555 58.356 0.199 1
1 54 . 4 1 1 A 6 6 GLN CB C 6 28.397 28.522 -0.125 1
1 56 . 4 1 1 A 6 6 GLN N N 6 122.944 123.825 -0.881 1
1 58 . 4 1 1 A 7 7 ASN H H 7 8.399 7.866 0.533 1
1 59 . 4 1 1 A 7 7 ASN HA H 7 4.848 4.907 -0.059 1
1 64 . 4 1 1 A 7 7 ASN C C 7 173.923 174.429 -0.506 1
1 65 . 4 1 1 A 7 7 ASN CA C 7 51.808 51.899 -0.091 1
1 66 . 4 1 1 A 7 7 ASN CB C 7 37.850 39.075 -1.225 1
1 67 . 4 1 1 A 7 7 ASN N N 7 115.700 116.775 -1.075 1
1 69 . 4 1 1 A 8 8 CYS H H 8 7.655 7.438 0.217 1
1 70 . 4 1 1 A 8 8 CYS HA H 8 4.947 4.411 0.536 1
1 73 . 4 1 1 A 8 8 CYS C C 8 177.267 174.262 3.005 1
1 74 . 4 1 1 A 8 8 CYS CA C 8 59.479 60.100 -0.621 1
1 75 . 4 1 1 A 8 8 CYS CB C 8 29.085 28.041 1.044 1
1 76 . 4 1 1 A 8 8 CYS N N 8 122.410 119.882 2.528 1
1 77 . 4 1 1 A 9 9 GLN H H 9 9.901 8.532 1.369 1
1 78 . 4 1 1 A 9 9 GLN HA H 9 4.193 5.054 -0.861 1
1 85 . 4 1 1 A 9 9 GLN C C 9 175.088 173.913 1.175 1
1 86 . 4 1 1 A 9 9 GLN CA C 9 56.730 54.139 2.591 1
1 87 . 4 1 1 A 9 9 GLN CB C 9 28.833 32.429 -3.596 1
1 89 . 4 1 1 A 9 9 GLN N N 9 133.116 124.878 8.238 1
1 91 . 4 1 1 A 10 10 ARG H H 10 10.013 8.589 1.424 1
1 92 . 4 1 1 A 10 10 ARG HA H 10 4.138 4.541 -0.403 1
1 98 . 4 1 1 A 10 10 ARG CA C 10 55.426 52.838 2.588 1
1 99 . 4 1 1 A 10 10 ARG CB C 10 28.647 30.984 -2.337 1
1 102 . 4 1 1 A 10 10 ARG N N 10 121.692 127.306 -5.614 1
1 103 . 4 1 1 A 11 11 PRO HA H 11 4.178 4.286 -0.108 1
1 110 . 4 1 1 A 11 11 PRO C C 11 177.355 177.292 0.063 1
1 111 . 4 1 1 A 11 11 PRO CA C 11 63.005 65.597 -2.592 1
1 112 . 4 1 1 A 11 11 PRO CB C 11 31.662 31.471 0.191 1
1 115 . 4 1 1 A 12 12 CYS H H 12 8.662 7.961 0.701 1
1 116 . 4 1 1 A 12 12 CYS HA H 12 4.629 4.171 0.458 1
1 119 . 4 1 1 A 12 12 CYS C C 12 173.972 173.925 0.047 1
1 120 . 4 1 1 A 12 12 CYS CA C 12 58.103 60.322 -2.219 1
1 121 . 4 1 1 A 12 12 CYS CB C 12 27.951 26.011 1.940 1
1 122 . 4 1 1 A 12 12 CYS N N 12 120.690 115.122 5.568 1
1 123 . 4 1 1 A 13 13 LYS H H 13 7.138 8.010 -0.872 1
1 124 . 4 1 1 A 13 13 LYS HA H 13 4.406 4.584 -0.178 1
1 131 . 4 1 1 A 13 13 LYS C C 13 174.846 177.642 -2.796 1
1 132 . 4 1 1 A 13 13 LYS CA C 13 55.401 54.879 0.522 1
1 133 . 4 1 1 A 13 13 LYS CB C 13 34.650 34.139 0.511 1
1 137 . 4 1 1 A 13 13 LYS N N 13 121.573 119.223 2.350 1
1 138 . 4 1 1 A 14 14 ASP H H 14 8.395 8.982 -0.587 1
1 139 . 4 1 1 A 14 14 ASP HA H 14 4.301 4.265 0.036 1
1 142 . 4 1 1 A 14 14 ASP C C 14 176.114 175.295 0.819 1
1 143 . 4 1 1 A 14 14 ASP CA C 14 57.107 57.080 0.027 1
1 144 . 4 1 1 A 14 14 ASP CB C 14 40.801 41.456 -0.655 1
1 145 . 4 1 1 A 14 14 ASP N N 14 118.919 122.211 -3.292 1
1 146 . 4 1 1 A 15 15 LYS H H 15 7.593 7.930 -0.337 1
1 147 . 4 1 1 A 15 15 LYS HA H 15 4.818 4.814 0.004 1
1 155 . 4 1 1 A 15 15 LYS C C 15 175.145 175.383 -0.238 1
1 156 . 4 1 1 A 15 15 LYS CA C 15 55.491 54.937 0.554 1
1 157 . 4 1 1 A 15 15 LYS CB C 15 34.485 35.184 -0.699 1
1 161 . 4 1 1 A 15 15 LYS N N 15 117.259 116.928 0.331 1
1 162 . 4 1 1 A 16 16 VAL H H 16 8.811 9.058 -0.247 1
1 163 . 4 1 1 A 16 16 VAL HA H 16 4.083 4.882 -0.799 1
1 171 . 4 1 1 A 16 16 VAL C C 16 174.356 174.471 -0.115 1
1 172 . 4 1 1 A 16 16 VAL CA C 16 61.679 59.436 2.243 1
1 173 . 4 1 1 A 16 16 VAL CB C 16 34.315 35.368 -1.053 1
1 176 . 4 1 1 A 16 16 VAL N N 16 123.375 117.846 5.529 1
1 177 . 4 1 1 A 17 17 ASP H H 17 7.938 8.684 -0.746 1
1 178 . 4 1 1 A 17 17 ASP HA H 17 5.639 5.076 0.563 1
1 181 . 4 1 1 A 17 17 ASP C C 17 177.550 175.328 2.222 1
1 182 . 4 1 1 A 17 17 ASP CA C 17 54.991 54.766 0.225 1
1 183 . 4 1 1 A 17 17 ASP CB C 17 43.020 41.953 1.067 1
1 184 . 4 1 1 A 17 17 ASP N N 17 124.698 122.932 1.766 1
1 185 . 4 1 1 A 18 18 TRP H H 18 9.636 9.088 0.548 1
1 186 . 4 1 1 A 18 18 TRP HA H 18 5.793 5.860 -0.067 1
1 195 . 4 1 1 A 18 18 TRP C C 18 176.051 175.178 0.873 1
1 196 . 4 1 1 A 18 18 TRP CA C 18 56.881 55.916 0.965 1
1 197 . 4 1 1 A 18 18 TRP CB C 18 34.097 34.876 -0.779 1
1 203 . 4 1 1 A 18 18 TRP N N 18 123.330 121.280 2.050 1
1 205 . 4 1 1 A 19 19 VAL H H 19 10.592 9.079 1.513 1
1 206 . 4 1 1 A 19 19 VAL HA H 19 5.409 4.945 0.464 1
1 214 . 4 1 1 A 19 19 VAL C C 19 170.168 173.652 -3.484 1
1 215 . 4 1 1 A 19 19 VAL CA C 19 60.297 60.582 -0.285 1
1 216 . 4 1 1 A 19 19 VAL CB C 19 36.269 36.364 -0.095 1
1 219 . 4 1 1 A 19 19 VAL N N 19 122.558 120.717 1.841 1
1 220 . 4 1 1 A 20 20 GLN H H 20 8.359 8.604 -0.245 1
1 221 . 4 1 1 A 20 20 GLN HA H 20 4.728 4.288 0.440 1
1 228 . 4 1 1 A 20 20 GLN C C 20 176.280 174.719 1.561 1
1 229 . 4 1 1 A 20 20 GLN CA C 20 53.251 53.130 0.121 1
1 230 . 4 1 1 A 20 20 GLN CB C 20 28.640 31.542 -2.902 1
1 232 . 4 1 1 A 20 20 GLN N N 20 132.425 125.155 7.270 1
1 234 . 4 1 1 A 21 21 CYS H H 21 8.618 8.358 0.260 1
1 235 . 4 1 1 A 21 21 CYS HA H 21 4.601 5.156 -0.555 1
1 238 . 4 1 1 A 21 21 CYS C C 21 177.580 174.508 3.072 1
1 239 . 4 1 1 A 21 21 CYS CA C 21 61.339 59.909 1.430 1
1 240 . 4 1 1 A 21 21 CYS CB C 21 32.597 28.268 4.329 1
1 241 . 4 1 1 A 21 21 CYS N N 21 128.017 124.693 3.324 1
1 242 . 4 1 1 A 22 22 ASP H H 22 10.211 9.264 0.947 1
1 243 . 4 1 1 A 22 22 ASP HA H 22 4.926 4.850 0.076 1
1 246 . 4 1 1 A 22 22 ASP C C 22 177.366 176.964 0.402 1
1 247 . 4 1 1 A 22 22 ASP CA C 22 56.782 54.160 2.622 1
1 248 . 4 1 1 A 22 22 ASP CB C 22 43.715 41.432 2.283 1
1 249 . 4 1 1 A 22 22 ASP N N 22 128.881 126.098 2.783 1
1 250 . 4 1 1 A 23 23 GLY H H 23 11.136 7.435 3.701 1
1 251 . 4 1 1 A 23 23 GLY HA2 H 23 3.556 3.975 -0.419 1
1 252 . 4 1 1 A 23 23 GLY HA3 H 23 4.026 3.987 0.039 1
1 253 . 4 1 1 A 23 23 GLY C C 23 173.584 174.502 -0.918 1
1 254 . 4 1 1 A 23 23 GLY CA C 23 45.651 45.383 0.268 1
1 255 . 4 1 1 A 23 23 GLY N N 23 117.638 107.131 10.507 1
1 256 . 4 1 1 A 24 24 GLY H H 24 8.906 7.644 1.262 1
1 257 . 4 1 1 A 24 24 GLY HA2 H 24 3.451 3.981 -0.530 1
1 258 . 4 1 1 A 24 24 GLY HA3 H 24 4.722 3.983 0.739 1
1 259 . 4 1 1 A 24 24 GLY C C 24 175.467 174.651 0.816 1
1 260 . 4 1 1 A 24 24 GLY CA C 24 45.165 45.398 -0.233 1
1 261 . 4 1 1 A 24 24 GLY N N 24 109.634 107.182 2.452 1
1 262 . 4 1 1 A 25 25 CYS H H 25 7.599 8.093 -0.494 1
1 263 . 4 1 1 A 25 25 CYS HA H 25 4.450 4.165 0.285 1
1 266 . 4 1 1 A 25 25 CYS C C 25 175.747 174.753 0.994 1
1 267 . 4 1 1 A 25 25 CYS CA C 25 60.192 61.916 -1.724 1
1 268 . 4 1 1 A 25 25 CYS CB C 25 30.266 28.041 2.225 1
1 269 . 4 1 1 A 25 25 CYS N N 25 119.707 120.573 -0.866 1
1 270 . 4 1 1 A 26 26 ASP H H 26 8.156 8.060 0.096 1
1 271 . 4 1 1 A 26 26 ASP HA H 26 4.364 4.764 -0.400 1
1 274 . 4 1 1 A 26 26 ASP C C 26 175.426 174.669 0.757 1
1 275 . 4 1 1 A 26 26 ASP CA C 26 56.106 55.375 0.731 1
1 276 . 4 1 1 A 26 26 ASP CB C 26 40.889 38.650 2.239 1
1 277 . 4 1 1 A 26 26 ASP N N 26 118.432 116.876 1.556 1
1 278 . 4 1 1 A 27 27 GLU H H 27 9.181 7.816 1.365 1
1 279 . 4 1 1 A 27 27 GLU HA H 27 4.379 4.741 -0.362 1
1 284 . 4 1 1 A 27 27 GLU C C 27 175.329 175.394 -0.065 1
1 285 . 4 1 1 A 27 27 GLU CA C 27 58.179 54.821 3.358 1
1 286 . 4 1 1 A 27 27 GLU CB C 27 30.604 31.943 -1.339 1
1 288 . 4 1 1 A 27 27 GLU N N 27 122.798 116.792 6.006 1
1 289 . 4 1 1 A 28 28 TRP H H 28 8.472 8.754 -0.282 1
1 290 . 4 1 1 A 28 28 TRP HA H 28 4.934 5.433 -0.499 1
1 299 . 4 1 1 A 28 28 TRP C C 28 175.838 175.902 -0.064 1
1 300 . 4 1 1 A 28 28 TRP CA C 28 57.313 55.371 1.942 1
1 301 . 4 1 1 A 28 28 TRP CB C 28 31.956 31.824 0.132 1
1 307 . 4 1 1 A 28 28 TRP N N 28 117.567 119.025 -1.458 1
1 309 . 4 1 1 A 29 29 PHE H H 29 9.792 9.160 0.632 1
1 310 . 4 1 1 A 29 29 PHE HA H 29 4.865 5.778 -0.913 1
1 316 . 4 1 1 A 29 29 PHE C C 29 176.573 172.980 3.593 1
1 317 . 4 1 1 A 29 29 PHE CA C 29 56.788 55.453 1.335 1
1 318 . 4 1 1 A 29 29 PHE CB C 29 42.755 41.853 0.902 1
1 322 . 4 1 1 A 29 29 PHE N N 29 120.754 118.675 2.079 1
1 323 . 4 1 1 A 30 30 HIS H H 30 9.889 8.247 1.642 1
1 324 . 4 1 1 A 30 30 HIS HA H 30 4.383 4.797 -0.414 1
1 328 . 4 1 1 A 30 30 HIS C C 30 177.229 176.467 0.762 1
1 329 . 4 1 1 A 30 30 HIS CA C 30 57.127 55.613 1.514 1
1 330 . 4 1 1 A 30 30 HIS CB C 30 29.589 30.845 -1.256 1
1 332 . 4 1 1 A 30 30 HIS N N 30 124.925 118.471 6.454 1
1 333 . 4 1 1 A 31 31 GLN H H 31 8.636 8.886 -0.250 1
1 334 . 4 1 1 A 31 31 GLN HA H 31 3.563 3.870 -0.307 1
1 341 . 4 1 1 A 31 31 GLN C C 31 178.836 178.022 0.814 1
1 342 . 4 1 1 A 31 31 GLN CA C 31 60.702 59.646 1.056 1
1 343 . 4 1 1 A 31 31 GLN CB C 31 26.688 28.422 -1.734 1
1 345 . 4 1 1 A 31 31 GLN N N 31 124.356 122.707 1.649 1
1 347 . 4 1 1 A 32 32 VAL H H 32 8.975 7.905 1.070 1
1 348 . 4 1 1 A 32 32 VAL HA H 32 4.096 3.840 0.256 1
1 356 . 4 1 1 A 32 32 VAL CA C 32 64.568 64.679 -0.111 1
1 357 . 4 1 1 A 32 32 VAL CB C 32 31.689 31.803 -0.114 1
1 360 . 4 1 1 A 32 32 VAL N N 32 114.507 115.224 -0.717 1
1 361 . 4 1 1 A 33 33 CYS H H 33 6.770 8.233 -1.463 1
1 362 . 4 1 1 A 33 33 CYS HA H 33 4.139 4.217 -0.078 1
1 365 . 4 1 1 A 33 33 CYS C C 33 177.175 176.008 1.167 1
1 366 . 4 1 1 A 33 33 CYS CA C 33 62.799 61.244 1.555 1
1 367 . 4 1 1 A 33 33 CYS CB C 33 29.256 26.970 2.286 1
1 368 . 4 1 1 A 33 33 CYS N N 33 120.275 119.565 0.710 1
1 369 . 4 1 1 A 34 34 VAL H H 34 7.144 7.430 -0.286 1
1 370 . 4 1 1 A 34 34 VAL HA H 34 4.599 4.170 0.429 1
1 378 . 4 1 1 A 34 34 VAL C C 34 176.099 176.285 -0.186 1
1 379 . 4 1 1 A 34 34 VAL CA C 34 60.218 62.973 -2.755 1
1 380 . 4 1 1 A 34 34 VAL CB C 34 31.918 33.030 -1.112 1
1 383 . 4 1 1 A 34 34 VAL N N 34 106.458 118.898 -12.440 1
1 384 . 4 1 1 A 35 35 GLY H H 35 7.519 8.295 -0.776 1
1 385 . 4 1 1 A 35 35 GLY HA2 H 35 3.897 4.006 -0.109 1
1 386 . 4 1 1 A 35 35 GLY HA3 H 35 3.954 4.015 -0.061 1
1 387 . 4 1 1 A 35 35 GLY C C 35 174.669 174.229 0.440 1
1 388 . 4 1 1 A 35 35 GLY CA C 35 47.173 46.107 1.066 1
1 389 . 4 1 1 A 35 35 GLY N N 35 110.261 109.597 0.664 1
1 390 . 4 1 1 A 36 36 VAL H H 36 7.556 8.180 -0.624 1
1 391 . 4 1 1 A 36 36 VAL HA H 36 4.480 3.998 0.482 1
1 399 . 4 1 1 A 36 36 VAL C C 36 174.103 175.403 -1.300 1
1 400 . 4 1 1 A 36 36 VAL CA C 36 60.273 61.539 -1.266 1
1 401 . 4 1 1 A 36 36 VAL CB C 36 34.388 32.143 2.245 1
1 404 . 4 1 1 A 36 36 VAL N N 36 117.579 120.780 -3.201 1
1 405 . 4 1 1 A 37 37 SER H H 37 8.097 8.801 -0.704 1
1 406 . 4 1 1 A 37 37 SER HA H 37 4.846 4.412 0.434 1
1 409 . 4 1 1 A 37 37 SER CA C 37 55.675 57.274 -1.599 1
1 410 . 4 1 1 A 37 37 SER CB C 37 63.614 63.169 0.445 1
1 411 . 4 1 1 A 37 37 SER N N 37 122.439 123.907 -1.468 1
1 412 . 4 1 1 A 38 38 PRO HA H 38 4.467 4.272 0.195 1
1 418 . 4 1 1 A 38 38 PRO C C 38 179.393 178.995 0.398 1
1 419 . 4 1 1 A 38 38 PRO CA C 38 65.685 65.601 0.084 1
1 420 . 4 1 1 A 38 38 PRO CB C 38 32.027 31.761 0.266 1
1 423 . 4 1 1 A 39 39 GLU H H 39 8.536 8.423 0.113 1
1 424 . 4 1 1 A 39 39 GLU HA H 39 4.080 4.050 0.030 1
1 429 . 4 1 1 A 39 39 GLU C C 39 178.722 179.603 -0.881 1
1 430 . 4 1 1 A 39 39 GLU CA C 39 59.711 59.712 -0.001 1
1 431 . 4 1 1 A 39 39 GLU CB C 39 28.947 29.016 -0.069 1
1 433 . 4 1 1 A 39 39 GLU N N 39 116.083 117.834 -1.751 1
1 434 . 4 1 1 A 40 40 MET H H 40 7.578 8.049 -0.471 1
1 435 . 4 1 1 A 40 40 MET HA H 40 4.224 4.218 0.006 1
1 439 . 4 1 1 A 40 40 MET C C 40 178.433 178.207 0.226 1
1 440 . 4 1 1 A 40 40 MET CA C 40 58.112 58.668 -0.556 1
1 441 . 4 1 1 A 40 40 MET CB C 40 33.685 32.487 1.198 1
1 443 . 4 1 1 A 40 40 MET N N 40 119.520 119.394 0.126 1
1 444 . 4 1 1 A 41 41 ALA H H 41 8.324 7.587 0.737 1
1 445 . 4 1 1 A 41 41 ALA HA H 41 3.975 4.147 -0.172 1
1 449 . 4 1 1 A 41 41 ALA C C 41 177.857 178.593 -0.736 1
1 450 . 4 1 1 A 41 41 ALA CA C 41 54.797 54.299 0.498 1
1 451 . 4 1 1 A 41 41 ALA CB C 41 18.982 18.418 0.564 1
1 452 . 4 1 1 A 41 41 ALA N N 41 121.259 121.303 -0.044 1
1 453 . 4 1 1 A 42 42 GLU H H 42 7.833 7.993 -0.160 1
1 454 . 4 1 1 A 42 42 GLU HA H 42 4.273 4.233 0.040 1
1 458 . 4 1 1 A 42 42 GLU C C 42 178.431 177.063 1.368 1
1 459 . 4 1 1 A 42 42 GLU CA C 42 58.268 57.151 1.117 1
1 460 . 4 1 1 A 42 42 GLU CB C 42 30.338 29.913 0.425 1
1 462 . 4 1 1 A 42 42 GLU N N 42 112.040 116.428 -4.388 1
1 463 . 4 1 1 A 43 43 ASN H H 43 7.688 7.665 0.023 1
1 464 . 4 1 1 A 43 43 ASN HA H 43 4.764 4.807 -0.043 1
1 469 . 4 1 1 A 43 43 ASN C C 43 174.879 175.205 -0.326 1
1 470 . 4 1 1 A 43 43 ASN CA C 43 54.854 54.643 0.211 1
1 471 . 4 1 1 A 43 43 ASN CB C 43 41.148 40.253 0.895 1
1 472 . 4 1 1 A 43 43 ASN N N 43 113.488 116.233 -2.745 1
1 474 . 4 1 1 A 44 44 GLU H H 44 7.861 7.535 0.326 1
1 475 . 4 1 1 A 44 44 GLU HA H 44 4.777 4.794 -0.017 1
1 480 . 4 1 1 A 44 44 GLU C C 44 176.482 175.735 0.747 1
1 481 . 4 1 1 A 44 44 GLU CA C 44 54.576 54.744 -0.168 1
1 482 . 4 1 1 A 44 44 GLU CB C 44 32.781 34.257 -1.476 1
1 484 . 4 1 1 A 44 44 GLU N N 44 118.109 117.099 1.010 1
1 485 . 4 1 1 A 45 45 ASP H H 45 8.707 8.716 -0.009 1
1 486 . 4 1 1 A 45 45 ASP HA H 45 4.755 4.682 0.073 1
1 488 . 4 1 1 A 45 45 ASP C C 45 176.643 175.413 1.230 1
1 489 . 4 1 1 A 45 45 ASP CA C 45 54.764 54.983 -0.219 1
1 490 . 4 1 1 A 45 45 ASP CB C 45 40.807 40.739 0.068 1
1 491 . 4 1 1 A 45 45 ASP N N 45 123.334 122.519 0.815 1
1 492 . 4 1 1 A 46 46 TYR H H 46 9.868 9.062 0.806 1
1 493 . 4 1 1 A 46 46 TYR HA H 46 4.671 5.410 -0.739 1
1 498 . 4 1 1 A 46 46 TYR C C 46 172.045 173.962 -1.917 1
1 499 . 4 1 1 A 46 46 TYR CA C 46 58.409 55.989 2.420 1
1 500 . 4 1 1 A 46 46 TYR CB C 46 40.085 41.560 -1.475 1
1 503 . 4 1 1 A 46 46 TYR N N 46 124.561 125.003 -0.442 1
1 504 . 4 1 1 A 47 47 ILE H H 47 7.520 8.696 -1.176 1
1 505 . 4 1 1 A 47 47 ILE HA H 47 4.344 4.563 -0.219 1
1 515 . 4 1 1 A 47 47 ILE C C 47 174.691 175.827 -1.136 1
1 516 . 4 1 1 A 47 47 ILE CA C 47 58.279 60.079 -1.800 1
1 517 . 4 1 1 A 47 47 ILE CB C 47 37.652 39.373 -1.721 1
1 521 . 4 1 1 A 47 47 ILE N N 47 128.737 127.967 0.770 1
1 522 . 4 1 1 A 48 48 CYS H H 48 9.142 8.384 0.758 1
1 523 . 4 1 1 A 48 48 CYS HA H 48 4.126 4.497 -0.371 1
1 526 . 4 1 1 A 48 48 CYS C C 48 175.153 176.289 -1.136 1
1 527 . 4 1 1 A 48 48 CYS CA C 48 58.302 57.588 0.714 1
1 528 . 4 1 1 A 48 48 CYS CB C 48 32.494 29.606 2.888 1
1 529 . 4 1 1 A 48 48 CYS N N 48 130.912 125.109 5.803 1
1 530 . 4 1 1 A 49 49 ILE H H 49 7.748 8.671 -0.923 1
1 531 . 4 1 1 A 49 49 ILE HA H 49 3.956 3.753 0.203 1
1 541 . 4 1 1 A 49 49 ILE C C 49 177.115 177.509 -0.394 1
1 542 . 4 1 1 A 49 49 ILE CA C 49 63.096 63.775 -0.679 1
1 543 . 4 1 1 A 49 49 ILE CB C 49 38.630 37.571 1.059 1
1 547 . 4 1 1 A 49 49 ILE N N 49 113.518 118.238 -4.720 1
1 548 . 4 1 1 A 50 50 ASN H H 50 8.859 8.339 0.520 1
1 549 . 4 1 1 A 50 50 ASN HA H 50 4.709 4.548 0.161 1
1 554 . 4 1 1 A 50 50 ASN C C 50 176.868 176.469 0.399 1
1 555 . 4 1 1 A 50 50 ASN CA C 50 55.433 55.383 0.050 1
1 556 . 4 1 1 A 50 50 ASN CB C 50 39.690 38.579 1.111 1
1 557 . 4 1 1 A 50 50 ASN N N 50 121.721 119.607 2.114 1
1 559 . 4 1 1 A 51 51 CYS H H 51 8.213 7.360 0.853 1
1 560 . 4 1 1 A 51 51 CYS HA H 51 4.113 4.645 -0.532 1
1 563 . 4 1 1 A 51 51 CYS C C 51 174.832 174.446 0.386 1
1 564 . 4 1 1 A 51 51 CYS CA C 51 62.048 58.326 3.722 1
1 565 . 4 1 1 A 51 51 CYS CB C 51 31.516 28.346 3.170 1
1 566 . 4 1 1 A 51 51 CYS N N 51 123.810 115.630 8.180 1
1 3 . 5 1 1 A 2 2 VAL H H 2 8.368 8.014 0.354 1
1 4 . 5 1 1 A 2 2 VAL HA H 2 5.250 4.788 0.462 1
1 12 . 5 1 1 A 2 2 VAL C C 2 176.070 175.016 1.054 1
1 13 . 5 1 1 A 2 2 VAL CA C 2 60.705 60.404 0.301 1
1 14 . 5 1 1 A 2 2 VAL CB C 2 34.398 35.371 -0.973 1
1 17 . 5 1 1 A 2 2 VAL N N 2 119.964 117.693 2.271 1
1 18 . 5 1 1 A 3 3 CYS H H 3 9.183 9.309 -0.126 1
1 19 . 5 1 1 A 3 3 CYS HA H 3 5.172 5.270 -0.098 1
1 22 . 5 1 1 A 3 3 CYS C C 3 173.772 174.024 -0.252 1
1 23 . 5 1 1 A 3 3 CYS CA C 3 56.558 56.204 0.354 1
1 24 . 5 1 1 A 3 3 CYS CB C 3 32.206 30.939 1.267 1
1 25 . 5 1 1 A 3 3 CYS N N 3 128.120 124.503 3.617 1
1 26 . 5 1 1 A 4 4 ALA H H 4 7.110 8.344 -1.234 1
1 27 . 5 1 1 A 4 4 ALA HA H 4 4.234 4.625 -0.391 1
1 31 . 5 1 1 A 4 4 ALA C C 4 177.661 176.321 1.340 1
1 32 . 5 1 1 A 4 4 ALA CA C 4 52.987 51.370 1.617 1
1 33 . 5 1 1 A 4 4 ALA CB C 4 19.004 17.714 1.290 1
1 34 . 5 1 1 A 4 4 ALA N N 4 117.697 123.639 -5.942 1
1 35 . 5 1 1 A 5 5 ALA H H 5 9.154 7.343 1.811 1
1 36 . 5 1 1 A 5 5 ALA HA H 5 4.565 4.808 -0.243 1
1 40 . 5 1 1 A 5 5 ALA C C 5 177.851 177.829 0.022 1
1 41 . 5 1 1 A 5 5 ALA CA C 5 53.029 50.687 2.342 1
1 42 . 5 1 1 A 5 5 ALA CB C 5 19.533 21.092 -1.559 1
1 43 . 5 1 1 A 5 5 ALA N N 5 125.563 122.830 2.733 1
1 44 . 5 1 1 A 6 6 GLN H H 6 8.946 8.726 0.220 1
1 45 . 5 1 1 A 6 6 GLN HA H 6 4.098 4.066 0.032 1
1 52 . 5 1 1 A 6 6 GLN C C 6 176.708 176.761 -0.053 1
1 53 . 5 1 1 A 6 6 GLN CA C 6 58.555 59.512 -0.957 1
1 54 . 5 1 1 A 6 6 GLN CB C 6 28.397 28.679 -0.282 1
1 56 . 5 1 1 A 6 6 GLN N N 6 122.944 121.483 1.461 1
1 58 . 5 1 1 A 7 7 ASN H H 7 8.399 7.812 0.587 1
1 59 . 5 1 1 A 7 7 ASN HA H 7 4.848 4.922 -0.074 1
1 64 . 5 1 1 A 7 7 ASN C C 7 173.923 173.744 0.179 1
1 65 . 5 1 1 A 7 7 ASN CA C 7 51.808 51.692 0.116 1
1 66 . 5 1 1 A 7 7 ASN CB C 7 37.850 38.259 -0.409 1
1 67 . 5 1 1 A 7 7 ASN N N 7 115.700 116.402 -0.702 1
1 69 . 5 1 1 A 8 8 CYS H H 8 7.655 8.683 -1.028 1
1 70 . 5 1 1 A 8 8 CYS HA H 8 4.947 5.274 -0.327 1
1 73 . 5 1 1 A 8 8 CYS C C 8 177.267 173.091 4.176 1
1 74 . 5 1 1 A 8 8 CYS CA C 8 59.479 57.424 2.055 1
1 75 . 5 1 1 A 8 8 CYS CB C 8 29.085 29.943 -0.858 1
1 76 . 5 1 1 A 8 8 CYS N N 8 122.410 123.840 -1.430 1
1 77 . 5 1 1 A 9 9 GLN H H 9 9.901 8.691 1.210 1
1 78 . 5 1 1 A 9 9 GLN HA H 9 4.193 4.984 -0.791 1
1 85 . 5 1 1 A 9 9 GLN C C 9 175.088 174.753 0.335 1
1 86 . 5 1 1 A 9 9 GLN CA C 9 56.730 54.184 2.546 1
1 87 . 5 1 1 A 9 9 GLN CB C 9 28.833 31.827 -2.994 1
1 89 . 5 1 1 A 9 9 GLN N N 9 133.116 125.165 7.951 1
1 91 . 5 1 1 A 10 10 ARG H H 10 10.013 8.597 1.416 1
1 92 . 5 1 1 A 10 10 ARG HA H 10 4.138 4.799 -0.661 1
1 98 . 5 1 1 A 10 10 ARG CA C 10 55.426 52.659 2.767 1
1 99 . 5 1 1 A 10 10 ARG CB C 10 28.647 30.765 -2.118 1
1 102 . 5 1 1 A 10 10 ARG N N 10 121.692 125.316 -3.624 1
1 103 . 5 1 1 A 11 11 PRO HA H 11 4.178 4.636 -0.458 1
1 110 . 5 1 1 A 11 11 PRO C C 11 177.355 175.817 1.538 1
1 111 . 5 1 1 A 11 11 PRO CA C 11 63.005 62.786 0.219 1
1 112 . 5 1 1 A 11 11 PRO CB C 11 31.662 29.946 1.716 1
1 115 . 5 1 1 A 12 12 CYS H H 12 8.662 8.164 0.498 1
1 116 . 5 1 1 A 12 12 CYS HA H 12 4.629 4.626 0.003 1
1 119 . 5 1 1 A 12 12 CYS C C 12 173.972 174.198 -0.226 1
1 120 . 5 1 1 A 12 12 CYS CA C 12 58.103 58.252 -0.149 1
1 121 . 5 1 1 A 12 12 CYS CB C 12 27.951 26.053 1.898 1
1 122 . 5 1 1 A 12 12 CYS N N 12 120.690 122.595 -1.905 1
1 123 . 5 1 1 A 13 13 LYS H H 13 7.138 8.797 -1.659 1
1 124 . 5 1 1 A 13 13 LYS HA H 13 4.406 4.659 -0.253 1
1 131 . 5 1 1 A 13 13 LYS C C 13 174.846 177.564 -2.718 1
1 132 . 5 1 1 A 13 13 LYS CA C 13 55.401 54.772 0.629 1
1 133 . 5 1 1 A 13 13 LYS CB C 13 34.650 34.681 -0.031 1
1 137 . 5 1 1 A 13 13 LYS N N 13 121.573 123.450 -1.877 1
1 138 . 5 1 1 A 14 14 ASP H H 14 8.395 8.584 -0.189 1
1 139 . 5 1 1 A 14 14 ASP HA H 14 4.301 4.508 -0.207 1
1 142 . 5 1 1 A 14 14 ASP C C 14 176.114 177.139 -1.025 1
1 143 . 5 1 1 A 14 14 ASP CA C 14 57.107 56.545 0.562 1
1 144 . 5 1 1 A 14 14 ASP CB C 14 40.801 41.333 -0.532 1
1 145 . 5 1 1 A 14 14 ASP N N 14 118.919 120.936 -2.017 1
1 146 . 5 1 1 A 15 15 LYS H H 15 7.593 7.891 -0.298 1
1 147 . 5 1 1 A 15 15 LYS HA H 15 4.818 4.491 0.327 1
1 155 . 5 1 1 A 15 15 LYS C C 15 175.145 176.018 -0.873 1
1 156 . 5 1 1 A 15 15 LYS CA C 15 55.491 55.886 -0.395 1
1 157 . 5 1 1 A 15 15 LYS CB C 15 34.485 32.445 2.040 1
1 161 . 5 1 1 A 15 15 LYS N N 15 117.259 118.076 -0.817 1
1 162 . 5 1 1 A 16 16 VAL H H 16 8.811 9.037 -0.226 1
1 163 . 5 1 1 A 16 16 VAL HA H 16 4.083 4.959 -0.876 1
1 171 . 5 1 1 A 16 16 VAL C C 16 174.356 173.986 0.370 1
1 172 . 5 1 1 A 16 16 VAL CA C 16 61.679 59.796 1.883 1
1 173 . 5 1 1 A 16 16 VAL CB C 16 34.315 35.115 -0.800 1
1 176 . 5 1 1 A 16 16 VAL N N 16 123.375 118.014 5.361 1
1 177 . 5 1 1 A 17 17 ASP H H 17 7.938 8.682 -0.744 1
1 178 . 5 1 1 A 17 17 ASP HA H 17 5.639 5.464 0.175 1
1 181 . 5 1 1 A 17 17 ASP C C 17 177.550 175.283 2.267 1
1 182 . 5 1 1 A 17 17 ASP CA C 17 54.991 53.072 1.919 1
1 183 . 5 1 1 A 17 17 ASP CB C 17 43.020 43.356 -0.336 1
1 184 . 5 1 1 A 17 17 ASP N N 17 124.698 123.539 1.159 1
1 185 . 5 1 1 A 18 18 TRP H H 18 9.636 9.205 0.431 1
1 186 . 5 1 1 A 18 18 TRP HA H 18 5.793 5.997 -0.204 1
1 195 . 5 1 1 A 18 18 TRP C C 18 176.051 175.550 0.501 1
1 196 . 5 1 1 A 18 18 TRP CA C 18 56.881 56.039 0.842 1
1 197 . 5 1 1 A 18 18 TRP CB C 18 34.097 34.414 -0.317 1
1 203 . 5 1 1 A 18 18 TRP N N 18 123.330 121.698 1.632 1
1 205 . 5 1 1 A 19 19 VAL H H 19 10.592 9.159 1.433 1
1 206 . 5 1 1 A 19 19 VAL HA H 19 5.409 4.997 0.412 1
1 214 . 5 1 1 A 19 19 VAL C C 19 170.168 173.840 -3.672 1
1 215 . 5 1 1 A 19 19 VAL CA C 19 60.297 60.749 -0.452 1
1 216 . 5 1 1 A 19 19 VAL CB C 19 36.269 35.996 0.273 1
1 219 . 5 1 1 A 19 19 VAL N N 19 122.558 120.140 2.418 1
1 220 . 5 1 1 A 20 20 GLN H H 20 8.359 8.935 -0.576 1
1 221 . 5 1 1 A 20 20 GLN HA H 20 4.728 4.624 0.104 1
1 228 . 5 1 1 A 20 20 GLN C C 20 176.280 175.234 1.046 1
1 229 . 5 1 1 A 20 20 GLN CA C 20 53.251 53.575 -0.324 1
1 230 . 5 1 1 A 20 20 GLN CB C 20 28.640 30.741 -2.101 1
1 232 . 5 1 1 A 20 20 GLN N N 20 132.425 126.348 6.077 1
1 234 . 5 1 1 A 21 21 CYS H H 21 8.618 8.491 0.127 1
1 235 . 5 1 1 A 21 21 CYS HA H 21 4.601 5.076 -0.475 1
1 238 . 5 1 1 A 21 21 CYS C C 21 177.580 175.436 2.144 1
1 239 . 5 1 1 A 21 21 CYS CA C 21 61.339 58.910 2.429 1
1 240 . 5 1 1 A 21 21 CYS CB C 21 32.597 28.721 3.876 1
1 241 . 5 1 1 A 21 21 CYS N N 21 128.017 124.459 3.558 1
1 242 . 5 1 1 A 22 22 ASP H H 22 10.211 9.563 0.648 1
1 243 . 5 1 1 A 22 22 ASP HA H 22 4.926 4.809 0.117 1
1 246 . 5 1 1 A 22 22 ASP C C 22 177.366 177.115 0.251 1
1 247 . 5 1 1 A 22 22 ASP CA C 22 56.782 54.089 2.693 1
1 248 . 5 1 1 A 22 22 ASP CB C 22 43.715 41.477 2.238 1
1 249 . 5 1 1 A 22 22 ASP N N 22 128.881 126.615 2.266 1
1 250 . 5 1 1 A 23 23 GLY H H 23 11.136 7.928 3.208 1
1 251 . 5 1 1 A 23 23 GLY HA2 H 23 3.556 3.938 -0.382 1
1 252 . 5 1 1 A 23 23 GLY HA3 H 23 4.026 3.940 0.086 1
1 253 . 5 1 1 A 23 23 GLY C C 23 173.584 174.399 -0.815 1
1 254 . 5 1 1 A 23 23 GLY CA C 23 45.651 45.255 0.396 1
1 255 . 5 1 1 A 23 23 GLY N N 23 117.638 108.114 9.524 1
1 256 . 5 1 1 A 24 24 GLY H H 24 8.906 7.785 1.121 1
1 257 . 5 1 1 A 24 24 GLY HA2 H 24 3.451 3.977 -0.526 1
1 258 . 5 1 1 A 24 24 GLY HA3 H 24 4.722 3.985 0.737 1
1 259 . 5 1 1 A 24 24 GLY C C 24 175.467 174.981 0.486 1
1 260 . 5 1 1 A 24 24 GLY CA C 24 45.165 45.249 -0.084 1
1 261 . 5 1 1 A 24 24 GLY N N 24 109.634 107.739 1.895 1
1 262 . 5 1 1 A 25 25 CYS H H 25 7.599 7.877 -0.278 1
1 263 . 5 1 1 A 25 25 CYS HA H 25 4.450 4.269 0.181 1
1 266 . 5 1 1 A 25 25 CYS C C 25 175.747 174.829 0.918 1
1 267 . 5 1 1 A 25 25 CYS CA C 25 60.192 60.533 -0.341 1
1 268 . 5 1 1 A 25 25 CYS CB C 25 30.266 28.551 1.715 1
1 269 . 5 1 1 A 25 25 CYS N N 25 119.707 119.154 0.553 1
1 270 . 5 1 1 A 26 26 ASP H H 26 8.156 7.935 0.221 1
1 271 . 5 1 1 A 26 26 ASP HA H 26 4.364 4.210 0.154 1
1 274 . 5 1 1 A 26 26 ASP C C 26 175.426 174.652 0.774 1
1 275 . 5 1 1 A 26 26 ASP CA C 26 56.106 55.371 0.735 1
1 276 . 5 1 1 A 26 26 ASP CB C 26 40.889 39.199 1.690 1
1 277 . 5 1 1 A 26 26 ASP N N 26 118.432 117.765 0.667 1
1 278 . 5 1 1 A 27 27 GLU H H 27 9.181 7.758 1.423 1
1 279 . 5 1 1 A 27 27 GLU HA H 27 4.379 4.621 -0.242 1
1 284 . 5 1 1 A 27 27 GLU C C 27 175.329 175.862 -0.533 1
1 285 . 5 1 1 A 27 27 GLU CA C 27 58.179 54.571 3.608 1
1 286 . 5 1 1 A 27 27 GLU CB C 27 30.604 30.722 -0.118 1
1 288 . 5 1 1 A 27 27 GLU N N 27 122.798 117.040 5.758 1
1 289 . 5 1 1 A 28 28 TRP H H 28 8.472 8.883 -0.411 1
1 290 . 5 1 1 A 28 28 TRP HA H 28 4.934 5.527 -0.593 1
1 299 . 5 1 1 A 28 28 TRP C C 28 175.838 175.936 -0.098 1
1 300 . 5 1 1 A 28 28 TRP CA C 28 57.313 55.461 1.852 1
1 301 . 5 1 1 A 28 28 TRP CB C 28 31.956 30.861 1.095 1
1 307 . 5 1 1 A 28 28 TRP N N 28 117.567 120.754 -3.187 1
1 309 . 5 1 1 A 29 29 PHE H H 29 9.792 9.469 0.323 1
1 310 . 5 1 1 A 29 29 PHE HA H 29 4.865 5.550 -0.685 1
1 316 . 5 1 1 A 29 29 PHE C C 29 176.573 174.863 1.710 1
1 317 . 5 1 1 A 29 29 PHE CA C 29 56.788 56.325 0.463 1
1 318 . 5 1 1 A 29 29 PHE CB C 29 42.755 43.631 -0.876 1
1 322 . 5 1 1 A 29 29 PHE N N 29 120.754 121.001 -0.247 1
1 323 . 5 1 1 A 30 30 HIS H H 30 9.889 8.466 1.423 1
1 324 . 5 1 1 A 30 30 HIS HA H 30 4.383 5.033 -0.650 1
1 328 . 5 1 1 A 30 30 HIS C C 30 177.229 176.275 0.954 1
1 329 . 5 1 1 A 30 30 HIS CA C 30 57.127 55.046 2.081 1
1 330 . 5 1 1 A 30 30 HIS CB C 30 29.589 31.731 -2.142 1
1 332 . 5 1 1 A 30 30 HIS N N 30 124.925 117.830 7.095 1
1 333 . 5 1 1 A 31 31 GLN H H 31 8.636 9.077 -0.441 1
1 334 . 5 1 1 A 31 31 GLN HA H 31 3.563 3.821 -0.258 1
1 341 . 5 1 1 A 31 31 GLN C C 31 178.836 177.956 0.880 1
1 342 . 5 1 1 A 31 31 GLN CA C 31 60.702 59.785 0.917 1
1 343 . 5 1 1 A 31 31 GLN CB C 31 26.688 28.307 -1.619 1
1 345 . 5 1 1 A 31 31 GLN N N 31 124.356 122.879 1.477 1
1 347 . 5 1 1 A 32 32 VAL H H 32 8.975 7.935 1.040 1
1 348 . 5 1 1 A 32 32 VAL HA H 32 4.096 3.870 0.226 1
1 356 . 5 1 1 A 32 32 VAL CA C 32 64.568 64.600 -0.032 1
1 357 . 5 1 1 A 32 32 VAL CB C 32 31.689 31.417 0.272 1
1 360 . 5 1 1 A 32 32 VAL N N 32 114.507 115.437 -0.930 1
1 361 . 5 1 1 A 33 33 CYS H H 33 6.770 7.577 -0.807 1
1 362 . 5 1 1 A 33 33 CYS HA H 33 4.139 4.292 -0.153 1
1 365 . 5 1 1 A 33 33 CYS C C 33 177.175 175.524 1.651 1
1 366 . 5 1 1 A 33 33 CYS CA C 33 62.799 61.198 1.601 1
1 367 . 5 1 1 A 33 33 CYS CB C 33 29.256 27.877 1.379 1
1 368 . 5 1 1 A 33 33 CYS N N 33 120.275 119.967 0.308 1
1 369 . 5 1 1 A 34 34 VAL H H 34 7.144 7.516 -0.372 1
1 370 . 5 1 1 A 34 34 VAL HA H 34 4.599 4.214 0.385 1
1 378 . 5 1 1 A 34 34 VAL C C 34 176.099 175.856 0.243 1
1 379 . 5 1 1 A 34 34 VAL CA C 34 60.218 61.904 -1.686 1
1 380 . 5 1 1 A 34 34 VAL CB C 34 31.918 31.721 0.197 1
1 383 . 5 1 1 A 34 34 VAL N N 34 106.458 119.376 -12.918 1
1 384 . 5 1 1 A 35 35 GLY H H 35 7.519 7.907 -0.388 1
1 385 . 5 1 1 A 35 35 GLY HA2 H 35 3.897 3.924 -0.027 1
1 386 . 5 1 1 A 35 35 GLY HA3 H 35 3.954 3.935 0.019 1
1 387 . 5 1 1 A 35 35 GLY C C 35 174.669 174.600 0.069 1
1 388 . 5 1 1 A 35 35 GLY CA C 35 47.173 46.872 0.301 1
1 389 . 5 1 1 A 35 35 GLY N N 35 110.261 111.297 -1.036 1
1 390 . 5 1 1 A 36 36 VAL H H 36 7.556 8.399 -0.843 1
1 391 . 5 1 1 A 36 36 VAL HA H 36 4.480 4.314 0.166 1
1 399 . 5 1 1 A 36 36 VAL C C 36 174.103 175.348 -1.245 1
1 400 . 5 1 1 A 36 36 VAL CA C 36 60.273 60.967 -0.694 1
1 401 . 5 1 1 A 36 36 VAL CB C 36 34.388 33.388 1.000 1
1 404 . 5 1 1 A 36 36 VAL N N 36 117.579 119.920 -2.341 1
1 405 . 5 1 1 A 37 37 SER H H 37 8.097 8.527 -0.430 1
1 406 . 5 1 1 A 37 37 SER HA H 37 4.846 5.119 -0.273 1
1 409 . 5 1 1 A 37 37 SER CA C 37 55.675 54.948 0.727 1
1 410 . 5 1 1 A 37 37 SER CB C 37 63.614 64.448 -0.834 1
1 411 . 5 1 1 A 37 37 SER N N 37 122.439 118.102 4.337 1
1 412 . 5 1 1 A 38 38 PRO HA H 38 4.467 4.466 0.001 1
1 418 . 5 1 1 A 38 38 PRO C C 38 179.393 177.923 1.470 1
1 419 . 5 1 1 A 38 38 PRO CA C 38 65.685 65.579 0.106 1
1 420 . 5 1 1 A 38 38 PRO CB C 38 32.027 31.811 0.216 1
1 423 . 5 1 1 A 39 39 GLU H H 39 8.536 8.384 0.152 1
1 424 . 5 1 1 A 39 39 GLU HA H 39 4.080 4.105 -0.025 1
1 429 . 5 1 1 A 39 39 GLU C C 39 178.722 178.865 -0.143 1
1 430 . 5 1 1 A 39 39 GLU CA C 39 59.711 59.450 0.261 1
1 431 . 5 1 1 A 39 39 GLU CB C 39 28.947 29.031 -0.084 1
1 433 . 5 1 1 A 39 39 GLU N N 39 116.083 118.065 -1.982 1
1 434 . 5 1 1 A 40 40 MET H H 40 7.578 8.335 -0.757 1
1 435 . 5 1 1 A 40 40 MET HA H 40 4.224 4.188 0.036 1
1 439 . 5 1 1 A 40 40 MET C C 40 178.433 178.117 0.316 1
1 440 . 5 1 1 A 40 40 MET CA C 40 58.112 58.773 -0.661 1
1 441 . 5 1 1 A 40 40 MET CB C 40 33.685 33.194 0.491 1
1 443 . 5 1 1 A 40 40 MET N N 40 119.520 118.836 0.684 1
1 444 . 5 1 1 A 41 41 ALA H H 41 8.324 7.668 0.656 1
1 445 . 5 1 1 A 41 41 ALA HA H 41 3.975 3.996 -0.021 1
1 449 . 5 1 1 A 41 41 ALA C C 41 177.857 178.431 -0.574 1
1 450 . 5 1 1 A 41 41 ALA CA C 41 54.797 55.135 -0.338 1
1 451 . 5 1 1 A 41 41 ALA CB C 41 18.982 18.110 0.872 1
1 452 . 5 1 1 A 41 41 ALA N N 41 121.259 121.037 0.222 1
1 453 . 5 1 1 A 42 42 GLU H H 42 7.833 7.720 0.113 1
1 454 . 5 1 1 A 42 42 GLU HA H 42 4.273 4.237 0.036 1
1 458 . 5 1 1 A 42 42 GLU C C 42 178.431 177.714 0.717 1
1 459 . 5 1 1 A 42 42 GLU CA C 42 58.268 58.391 -0.123 1
1 460 . 5 1 1 A 42 42 GLU CB C 42 30.338 29.826 0.512 1
1 462 . 5 1 1 A 42 42 GLU N N 42 112.040 117.080 -5.040 1
1 463 . 5 1 1 A 43 43 ASN H H 43 7.688 7.572 0.116 1
1 464 . 5 1 1 A 43 43 ASN HA H 43 4.764 4.771 -0.007 1
1 469 . 5 1 1 A 43 43 ASN C C 43 174.879 175.458 -0.579 1
1 470 . 5 1 1 A 43 43 ASN CA C 43 54.854 54.837 0.017 1
1 471 . 5 1 1 A 43 43 ASN CB C 43 41.148 40.189 0.959 1
1 472 . 5 1 1 A 43 43 ASN N N 43 113.488 116.281 -2.793 1
1 474 . 5 1 1 A 44 44 GLU H H 44 7.861 7.835 0.026 1
1 475 . 5 1 1 A 44 44 GLU HA H 44 4.777 4.790 -0.013 1
1 480 . 5 1 1 A 44 44 GLU C C 44 176.482 175.720 0.762 1
1 481 . 5 1 1 A 44 44 GLU CA C 44 54.576 54.456 0.120 1
1 482 . 5 1 1 A 44 44 GLU CB C 44 32.781 34.521 -1.740 1
1 484 . 5 1 1 A 44 44 GLU N N 44 118.109 117.039 1.070 1
1 485 . 5 1 1 A 45 45 ASP H H 45 8.707 8.595 0.112 1
1 486 . 5 1 1 A 45 45 ASP HA H 45 4.755 4.613 0.142 1
1 488 . 5 1 1 A 45 45 ASP C C 45 176.643 175.272 1.371 1
1 489 . 5 1 1 A 45 45 ASP CA C 45 54.764 54.543 0.221 1
1 490 . 5 1 1 A 45 45 ASP CB C 45 40.807 40.851 -0.044 1
1 491 . 5 1 1 A 45 45 ASP N N 45 123.334 121.245 2.089 1
1 492 . 5 1 1 A 46 46 TYR H H 46 9.868 8.688 1.180 1
1 493 . 5 1 1 A 46 46 TYR HA H 46 4.671 5.433 -0.762 1
1 498 . 5 1 1 A 46 46 TYR C C 46 172.045 174.081 -2.036 1
1 499 . 5 1 1 A 46 46 TYR CA C 46 58.409 56.169 2.240 1
1 500 . 5 1 1 A 46 46 TYR CB C 46 40.085 41.619 -1.534 1
1 503 . 5 1 1 A 46 46 TYR N N 46 124.561 125.275 -0.714 1
1 504 . 5 1 1 A 47 47 ILE H H 47 7.520 8.394 -0.874 1
1 505 . 5 1 1 A 47 47 ILE HA H 47 4.344 4.679 -0.335 1
1 515 . 5 1 1 A 47 47 ILE C C 47 174.691 175.658 -0.967 1
1 516 . 5 1 1 A 47 47 ILE CA C 47 58.279 59.489 -1.210 1
1 517 . 5 1 1 A 47 47 ILE CB C 47 37.652 41.090 -3.438 1
1 521 . 5 1 1 A 47 47 ILE N N 47 128.737 126.765 1.972 1
1 522 . 5 1 1 A 48 48 CYS H H 48 9.142 8.649 0.493 1
1 523 . 5 1 1 A 48 48 CYS HA H 48 4.126 4.589 -0.463 1
1 526 . 5 1 1 A 48 48 CYS C C 48 175.153 176.359 -1.206 1
1 527 . 5 1 1 A 48 48 CYS CA C 48 58.302 57.700 0.602 1
1 528 . 5 1 1 A 48 48 CYS CB C 48 32.494 29.658 2.836 1
1 529 . 5 1 1 A 48 48 CYS N N 48 130.912 126.442 4.470 1
1 530 . 5 1 1 A 49 49 ILE H H 49 7.748 8.643 -0.895 1
1 531 . 5 1 1 A 49 49 ILE HA H 49 3.956 3.821 0.135 1
1 541 . 5 1 1 A 49 49 ILE C C 49 177.115 177.563 -0.448 1
1 542 . 5 1 1 A 49 49 ILE CA C 49 63.096 63.489 -0.393 1
1 543 . 5 1 1 A 49 49 ILE CB C 49 38.630 37.729 0.901 1
1 547 . 5 1 1 A 49 49 ILE N N 49 113.518 118.197 -4.679 1
1 548 . 5 1 1 A 50 50 ASN H H 50 8.859 8.482 0.377 1
1 549 . 5 1 1 A 50 50 ASN HA H 50 4.709 4.606 0.103 1
1 554 . 5 1 1 A 50 50 ASN C C 50 176.868 176.631 0.237 1
1 555 . 5 1 1 A 50 50 ASN CA C 50 55.433 55.209 0.224 1
1 556 . 5 1 1 A 50 50 ASN CB C 50 39.690 38.685 1.005 1
1 557 . 5 1 1 A 50 50 ASN N N 50 121.721 119.707 2.014 1
1 559 . 5 1 1 A 51 51 CYS H H 51 8.213 7.513 0.700 1
1 560 . 5 1 1 A 51 51 CYS HA H 51 4.113 4.588 -0.475 1
1 563 . 5 1 1 A 51 51 CYS C C 51 174.832 174.567 0.265 1
1 564 . 5 1 1 A 51 51 CYS CA C 51 62.048 58.309 3.739 1
1 565 . 5 1 1 A 51 51 CYS CB C 51 31.516 28.371 3.145 1
1 566 . 5 1 1 A 51 51 CYS N N 51 123.810 115.608 8.202 1
1 3 . 6 1 1 A 2 2 VAL H H 2 8.368 7.953 0.415 1
1 4 . 6 1 1 A 2 2 VAL HA H 2 5.250 4.534 0.716 1
1 12 . 6 1 1 A 2 2 VAL C C 2 176.070 175.054 1.016 1
1 13 . 6 1 1 A 2 2 VAL CA C 2 60.705 61.288 -0.583 1
1 14 . 6 1 1 A 2 2 VAL CB C 2 34.398 33.824 0.574 1
1 17 . 6 1 1 A 2 2 VAL N N 2 119.964 119.438 0.526 1
1 18 . 6 1 1 A 3 3 CYS H H 3 9.183 9.345 -0.162 1
1 19 . 6 1 1 A 3 3 CYS HA H 3 5.172 5.162 0.010 1
1 22 . 6 1 1 A 3 3 CYS C C 3 173.772 174.310 -0.538 1
1 23 . 6 1 1 A 3 3 CYS CA C 3 56.558 56.311 0.247 1
1 24 . 6 1 1 A 3 3 CYS CB C 3 32.206 30.268 1.938 1
1 25 . 6 1 1 A 3 3 CYS N N 3 128.120 124.665 3.455 1
1 26 . 6 1 1 A 4 4 ALA H H 4 7.110 8.626 -1.516 1
1 27 . 6 1 1 A 4 4 ALA HA H 4 4.234 4.684 -0.450 1
1 31 . 6 1 1 A 4 4 ALA C C 4 177.661 176.347 1.314 1
1 32 . 6 1 1 A 4 4 ALA CA C 4 52.987 51.176 1.811 1
1 33 . 6 1 1 A 4 4 ALA CB C 4 19.004 18.079 0.925 1
1 34 . 6 1 1 A 4 4 ALA N N 4 117.697 123.608 -5.911 1
1 35 . 6 1 1 A 5 5 ALA H H 5 9.154 7.488 1.666 1
1 36 . 6 1 1 A 5 5 ALA HA H 5 4.565 4.760 -0.195 1
1 40 . 6 1 1 A 5 5 ALA C C 5 177.851 177.735 0.116 1
1 41 . 6 1 1 A 5 5 ALA CA C 5 53.029 50.772 2.257 1
1 42 . 6 1 1 A 5 5 ALA CB C 5 19.533 20.678 -1.145 1
1 43 . 6 1 1 A 5 5 ALA N N 5 125.563 122.946 2.617 1
1 44 . 6 1 1 A 6 6 GLN H H 6 8.946 8.948 -0.002 1
1 45 . 6 1 1 A 6 6 GLN HA H 6 4.098 4.004 0.094 1
1 52 . 6 1 1 A 6 6 GLN C C 6 176.708 176.317 0.391 1
1 53 . 6 1 1 A 6 6 GLN CA C 6 58.555 59.336 -0.781 1
1 54 . 6 1 1 A 6 6 GLN CB C 6 28.397 28.981 -0.584 1
1 56 . 6 1 1 A 6 6 GLN N N 6 122.944 123.620 -0.676 1
1 58 . 6 1 1 A 7 7 ASN H H 7 8.399 7.977 0.422 1
1 59 . 6 1 1 A 7 7 ASN HA H 7 4.848 5.020 -0.172 1
1 64 . 6 1 1 A 7 7 ASN C C 7 173.923 173.706 0.217 1
1 65 . 6 1 1 A 7 7 ASN CA C 7 51.808 51.596 0.212 1
1 66 . 6 1 1 A 7 7 ASN CB C 7 37.850 38.359 -0.509 1
1 67 . 6 1 1 A 7 7 ASN N N 7 115.700 116.915 -1.215 1
1 69 . 6 1 1 A 8 8 CYS H H 8 7.655 8.890 -1.235 1
1 70 . 6 1 1 A 8 8 CYS HA H 8 4.947 5.211 -0.264 1
1 73 . 6 1 1 A 8 8 CYS C C 8 177.267 173.712 3.555 1
1 74 . 6 1 1 A 8 8 CYS CA C 8 59.479 57.578 1.901 1
1 75 . 6 1 1 A 8 8 CYS CB C 8 29.085 30.183 -1.098 1
1 76 . 6 1 1 A 8 8 CYS N N 8 122.410 124.733 -2.323 1
1 77 . 6 1 1 A 9 9 GLN H H 9 9.901 8.760 1.141 1
1 78 . 6 1 1 A 9 9 GLN HA H 9 4.193 4.846 -0.653 1
1 85 . 6 1 1 A 9 9 GLN C C 9 175.088 174.913 0.175 1
1 86 . 6 1 1 A 9 9 GLN CA C 9 56.730 54.435 2.295 1
1 87 . 6 1 1 A 9 9 GLN CB C 9 28.833 31.413 -2.580 1
1 89 . 6 1 1 A 9 9 GLN N N 9 133.116 124.417 8.699 1
1 91 . 6 1 1 A 10 10 ARG H H 10 10.013 8.788 1.225 1
1 92 . 6 1 1 A 10 10 ARG HA H 10 4.138 4.659 -0.521 1
1 98 . 6 1 1 A 10 10 ARG CA C 10 55.426 52.651 2.775 1
1 99 . 6 1 1 A 10 10 ARG CB C 10 28.647 30.709 -2.062 1
1 102 . 6 1 1 A 10 10 ARG N N 10 121.692 123.270 -1.578 1
1 103 . 6 1 1 A 11 11 PRO HA H 11 4.178 4.258 -0.080 1
1 110 . 6 1 1 A 11 11 PRO C C 11 177.355 176.961 0.394 1
1 111 . 6 1 1 A 11 11 PRO CA C 11 63.005 65.855 -2.850 1
1 112 . 6 1 1 A 11 11 PRO CB C 11 31.662 31.375 0.287 1
1 115 . 6 1 1 A 12 12 CYS H H 12 8.662 7.957 0.705 1
1 116 . 6 1 1 A 12 12 CYS HA H 12 4.629 4.220 0.409 1
1 119 . 6 1 1 A 12 12 CYS C C 12 173.972 173.275 0.697 1
1 120 . 6 1 1 A 12 12 CYS CA C 12 58.103 59.885 -1.782 1
1 121 . 6 1 1 A 12 12 CYS CB C 12 27.951 26.622 1.329 1
1 122 . 6 1 1 A 12 12 CYS N N 12 120.690 115.440 5.250 1
1 123 . 6 1 1 A 13 13 LYS H H 13 7.138 7.835 -0.697 1
1 124 . 6 1 1 A 13 13 LYS HA H 13 4.406 4.600 -0.194 1
1 131 . 6 1 1 A 13 13 LYS C C 13 174.846 175.865 -1.019 1
1 132 . 6 1 1 A 13 13 LYS CA C 13 55.401 55.507 -0.106 1
1 133 . 6 1 1 A 13 13 LYS CB C 13 34.650 35.627 -0.977 1
1 137 . 6 1 1 A 13 13 LYS N N 13 121.573 125.078 -3.505 1
1 138 . 6 1 1 A 14 14 ASP H H 14 8.395 8.871 -0.476 1
1 139 . 6 1 1 A 14 14 ASP HA H 14 4.301 4.260 0.041 1
1 142 . 6 1 1 A 14 14 ASP C C 14 176.114 175.174 0.940 1
1 143 . 6 1 1 A 14 14 ASP CA C 14 57.107 57.639 -0.532 1
1 144 . 6 1 1 A 14 14 ASP CB C 14 40.801 40.943 -0.142 1
1 145 . 6 1 1 A 14 14 ASP N N 14 118.919 122.846 -3.927 1
1 146 . 6 1 1 A 15 15 LYS H H 15 7.593 7.845 -0.252 1
1 147 . 6 1 1 A 15 15 LYS HA H 15 4.818 4.852 -0.034 1
1 155 . 6 1 1 A 15 15 LYS C C 15 175.145 175.432 -0.287 1
1 156 . 6 1 1 A 15 15 LYS CA C 15 55.491 54.860 0.631 1
1 157 . 6 1 1 A 15 15 LYS CB C 15 34.485 35.910 -1.425 1
1 161 . 6 1 1 A 15 15 LYS N N 15 117.259 116.776 0.483 1
1 162 . 6 1 1 A 16 16 VAL H H 16 8.811 8.948 -0.137 1
1 163 . 6 1 1 A 16 16 VAL HA H 16 4.083 4.932 -0.849 1
1 171 . 6 1 1 A 16 16 VAL C C 16 174.356 173.896 0.460 1
1 172 . 6 1 1 A 16 16 VAL CA C 16 61.679 59.111 2.568 1
1 173 . 6 1 1 A 16 16 VAL CB C 16 34.315 35.858 -1.543 1
1 176 . 6 1 1 A 16 16 VAL N N 16 123.375 117.612 5.763 1
1 177 . 6 1 1 A 17 17 ASP H H 17 7.938 8.671 -0.733 1
1 178 . 6 1 1 A 17 17 ASP HA H 17 5.639 5.613 0.026 1
1 181 . 6 1 1 A 17 17 ASP C C 17 177.550 175.374 2.176 1
1 182 . 6 1 1 A 17 17 ASP CA C 17 54.991 53.107 1.884 1
1 183 . 6 1 1 A 17 17 ASP CB C 17 43.020 43.413 -0.393 1
1 184 . 6 1 1 A 17 17 ASP N N 17 124.698 121.863 2.835 1
1 185 . 6 1 1 A 18 18 TRP H H 18 9.636 9.160 0.476 1
1 186 . 6 1 1 A 18 18 TRP HA H 18 5.793 5.894 -0.101 1
1 195 . 6 1 1 A 18 18 TRP C C 18 176.051 175.333 0.718 1
1 196 . 6 1 1 A 18 18 TRP CA C 18 56.881 55.906 0.975 1
1 197 . 6 1 1 A 18 18 TRP CB C 18 34.097 34.737 -0.640 1
1 203 . 6 1 1 A 18 18 TRP N N 18 123.330 121.037 2.293 1
1 205 . 6 1 1 A 19 19 VAL H H 19 10.592 9.017 1.575 1
1 206 . 6 1 1 A 19 19 VAL HA H 19 5.409 5.060 0.349 1
1 214 . 6 1 1 A 19 19 VAL C C 19 170.168 174.503 -4.335 1
1 215 . 6 1 1 A 19 19 VAL CA C 19 60.297 60.623 -0.326 1
1 216 . 6 1 1 A 19 19 VAL CB C 19 36.269 35.963 0.306 1
1 219 . 6 1 1 A 19 19 VAL N N 19 122.558 120.119 2.439 1
1 220 . 6 1 1 A 20 20 GLN H H 20 8.359 8.689 -0.330 1
1 221 . 6 1 1 A 20 20 GLN HA H 20 4.728 4.156 0.572 1
1 228 . 6 1 1 A 20 20 GLN C C 20 176.280 175.613 0.667 1
1 229 . 6 1 1 A 20 20 GLN CA C 20 53.251 54.642 -1.391 1
1 230 . 6 1 1 A 20 20 GLN CB C 20 28.640 30.311 -1.671 1
1 232 . 6 1 1 A 20 20 GLN N N 20 132.425 126.420 6.005 1
1 234 . 6 1 1 A 21 21 CYS H H 21 8.618 8.437 0.181 1
1 235 . 6 1 1 A 21 21 CYS HA H 21 4.601 4.803 -0.202 1
1 238 . 6 1 1 A 21 21 CYS C C 21 177.580 175.631 1.949 1
1 239 . 6 1 1 A 21 21 CYS CA C 21 61.339 59.063 2.276 1
1 240 . 6 1 1 A 21 21 CYS CB C 21 32.597 28.586 4.011 1
1 241 . 6 1 1 A 21 21 CYS N N 21 128.017 123.979 4.038 1
1 242 . 6 1 1 A 22 22 ASP H H 22 10.211 9.531 0.680 1
1 243 . 6 1 1 A 22 22 ASP HA H 22 4.926 4.832 0.094 1
1 246 . 6 1 1 A 22 22 ASP C C 22 177.366 176.390 0.976 1
1 247 . 6 1 1 A 22 22 ASP CA C 22 56.782 54.317 2.465 1
1 248 . 6 1 1 A 22 22 ASP CB C 22 43.715 41.436 2.279 1
1 249 . 6 1 1 A 22 22 ASP N N 22 128.881 125.985 2.896 1
1 250 . 6 1 1 A 23 23 GLY H H 23 11.136 8.185 2.951 1
1 251 . 6 1 1 A 23 23 GLY HA2 H 23 3.556 3.997 -0.441 1
1 252 . 6 1 1 A 23 23 GLY HA3 H 23 4.026 3.998 0.028 1
1 253 . 6 1 1 A 23 23 GLY C C 23 173.584 174.791 -1.207 1
1 254 . 6 1 1 A 23 23 GLY CA C 23 45.651 44.459 1.192 1
1 255 . 6 1 1 A 23 23 GLY N N 23 117.638 108.280 9.358 1
1 256 . 6 1 1 A 24 24 GLY H H 24 8.906 8.672 0.234 1
1 257 . 6 1 1 A 24 24 GLY HA2 H 24 3.451 4.011 -0.560 1
1 258 . 6 1 1 A 24 24 GLY HA3 H 24 4.722 4.018 0.704 1
1 259 . 6 1 1 A 24 24 GLY C C 24 175.467 175.214 0.253 1
1 260 . 6 1 1 A 24 24 GLY CA C 24 45.165 45.118 0.047 1
1 261 . 6 1 1 A 24 24 GLY N N 24 109.634 109.516 0.118 1
1 262 . 6 1 1 A 25 25 CYS H H 25 7.599 7.406 0.193 1
1 263 . 6 1 1 A 25 25 CYS HA H 25 4.450 4.357 0.093 1
1 266 . 6 1 1 A 25 25 CYS C C 25 175.747 174.526 1.221 1
1 267 . 6 1 1 A 25 25 CYS CA C 25 60.192 60.473 -0.281 1
1 268 . 6 1 1 A 25 25 CYS CB C 25 30.266 28.561 1.705 1
1 269 . 6 1 1 A 25 25 CYS N N 25 119.707 117.580 2.127 1
1 270 . 6 1 1 A 26 26 ASP H H 26 8.156 7.961 0.195 1
1 271 . 6 1 1 A 26 26 ASP HA H 26 4.364 4.129 0.235 1
1 274 . 6 1 1 A 26 26 ASP C C 26 175.426 174.382 1.044 1
1 275 . 6 1 1 A 26 26 ASP CA C 26 56.106 55.353 0.753 1
1 276 . 6 1 1 A 26 26 ASP CB C 26 40.889 39.113 1.776 1
1 277 . 6 1 1 A 26 26 ASP N N 26 118.432 117.801 0.631 1
1 278 . 6 1 1 A 27 27 GLU H H 27 9.181 7.174 2.007 1
1 279 . 6 1 1 A 27 27 GLU HA H 27 4.379 4.712 -0.333 1
1 284 . 6 1 1 A 27 27 GLU C C 27 175.329 175.316 0.013 1
1 285 . 6 1 1 A 27 27 GLU CA C 27 58.179 54.652 3.527 1
1 286 . 6 1 1 A 27 27 GLU CB C 27 30.604 31.672 -1.068 1
1 288 . 6 1 1 A 27 27 GLU N N 27 122.798 116.647 6.151 1
1 289 . 6 1 1 A 28 28 TRP H H 28 8.472 8.812 -0.340 1
1 290 . 6 1 1 A 28 28 TRP HA H 28 4.934 5.555 -0.621 1
1 299 . 6 1 1 A 28 28 TRP C C 28 175.838 175.632 0.206 1
1 300 . 6 1 1 A 28 28 TRP CA C 28 57.313 55.666 1.647 1
1 301 . 6 1 1 A 28 28 TRP CB C 28 31.956 31.181 0.775 1
1 307 . 6 1 1 A 28 28 TRP N N 28 117.567 121.043 -3.476 1
1 309 . 6 1 1 A 29 29 PHE H H 29 9.792 9.090 0.702 1
1 310 . 6 1 1 A 29 29 PHE HA H 29 4.865 5.110 -0.245 1
1 316 . 6 1 1 A 29 29 PHE C C 29 176.573 174.734 1.839 1
1 317 . 6 1 1 A 29 29 PHE CA C 29 56.788 56.431 0.357 1
1 318 . 6 1 1 A 29 29 PHE CB C 29 42.755 43.713 -0.958 1
1 322 . 6 1 1 A 29 29 PHE N N 29 120.754 120.355 0.399 1
1 323 . 6 1 1 A 30 30 HIS H H 30 9.889 8.521 1.368 1
1 324 . 6 1 1 A 30 30 HIS HA H 30 4.383 4.862 -0.479 1
1 328 . 6 1 1 A 30 30 HIS C C 30 177.229 176.305 0.924 1
1 329 . 6 1 1 A 30 30 HIS CA C 30 57.127 54.998 2.129 1
1 330 . 6 1 1 A 30 30 HIS CB C 30 29.589 31.929 -2.340 1
1 332 . 6 1 1 A 30 30 HIS N N 30 124.925 118.312 6.613 1
1 333 . 6 1 1 A 31 31 GLN H H 31 8.636 9.033 -0.397 1
1 334 . 6 1 1 A 31 31 GLN HA H 31 3.563 3.816 -0.253 1
1 341 . 6 1 1 A 31 31 GLN C C 31 178.836 177.999 0.837 1
1 342 . 6 1 1 A 31 31 GLN CA C 31 60.702 59.723 0.979 1
1 343 . 6 1 1 A 31 31 GLN CB C 31 26.688 28.349 -1.661 1
1 345 . 6 1 1 A 31 31 GLN N N 31 124.356 122.846 1.510 1
1 347 . 6 1 1 A 32 32 VAL H H 32 8.975 7.922 1.053 1
1 348 . 6 1 1 A 32 32 VAL HA H 32 4.096 3.890 0.206 1
1 356 . 6 1 1 A 32 32 VAL CA C 32 64.568 64.626 -0.058 1
1 357 . 6 1 1 A 32 32 VAL CB C 32 31.689 31.592 0.097 1
1 360 . 6 1 1 A 32 32 VAL N N 32 114.507 115.703 -1.196 1
1 361 . 6 1 1 A 33 33 CYS H H 33 6.770 7.863 -1.093 1
1 362 . 6 1 1 A 33 33 CYS HA H 33 4.139 4.307 -0.168 1
1 365 . 6 1 1 A 33 33 CYS C C 33 177.175 175.936 1.239 1
1 366 . 6 1 1 A 33 33 CYS CA C 33 62.799 61.459 1.340 1
1 367 . 6 1 1 A 33 33 CYS CB C 33 29.256 27.712 1.544 1
1 368 . 6 1 1 A 33 33 CYS N N 33 120.275 119.556 0.719 1
1 369 . 6 1 1 A 34 34 VAL H H 34 7.144 7.637 -0.493 1
1 370 . 6 1 1 A 34 34 VAL HA H 34 4.599 4.229 0.370 1
1 378 . 6 1 1 A 34 34 VAL C C 34 176.099 175.952 0.147 1
1 379 . 6 1 1 A 34 34 VAL CA C 34 60.218 62.134 -1.916 1
1 380 . 6 1 1 A 34 34 VAL CB C 34 31.918 31.714 0.204 1
1 383 . 6 1 1 A 34 34 VAL N N 34 106.458 119.360 -12.902 1
1 384 . 6 1 1 A 35 35 GLY H H 35 7.519 7.846 -0.327 1
1 385 . 6 1 1 A 35 35 GLY HA2 H 35 3.897 3.920 -0.023 1
1 386 . 6 1 1 A 35 35 GLY HA3 H 35 3.954 3.935 0.019 1
1 387 . 6 1 1 A 35 35 GLY C C 35 174.669 174.616 0.053 1
1 388 . 6 1 1 A 35 35 GLY CA C 35 47.173 46.868 0.305 1
1 389 . 6 1 1 A 35 35 GLY N N 35 110.261 111.329 -1.068 1
1 390 . 6 1 1 A 36 36 VAL H H 36 7.556 8.504 -0.948 1
1 391 . 6 1 1 A 36 36 VAL HA H 36 4.480 4.134 0.346 1
1 399 . 6 1 1 A 36 36 VAL C C 36 174.103 175.023 -0.920 1
1 400 . 6 1 1 A 36 36 VAL CA C 36 60.273 61.236 -0.963 1
1 401 . 6 1 1 A 36 36 VAL CB C 36 34.388 33.020 1.368 1
1 404 . 6 1 1 A 36 36 VAL N N 36 117.579 120.030 -2.451 1
1 405 . 6 1 1 A 37 37 SER H H 37 8.097 8.668 -0.571 1
1 406 . 6 1 1 A 37 37 SER HA H 37 4.846 4.890 -0.044 1
1 409 . 6 1 1 A 37 37 SER CA C 37 55.675 55.711 -0.036 1
1 410 . 6 1 1 A 37 37 SER CB C 37 63.614 64.647 -1.033 1
1 411 . 6 1 1 A 37 37 SER N N 37 122.439 121.200 1.239 1
1 412 . 6 1 1 A 38 38 PRO HA H 38 4.467 4.209 0.258 1
1 418 . 6 1 1 A 38 38 PRO C C 38 179.393 179.020 0.373 1
1 419 . 6 1 1 A 38 38 PRO CA C 38 65.685 65.550 0.135 1
1 420 . 6 1 1 A 38 38 PRO CB C 38 32.027 31.949 0.078 1
1 423 . 6 1 1 A 39 39 GLU H H 39 8.536 8.402 0.134 1
1 424 . 6 1 1 A 39 39 GLU HA H 39 4.080 4.052 0.028 1
1 429 . 6 1 1 A 39 39 GLU C C 39 178.722 179.498 -0.776 1
1 430 . 6 1 1 A 39 39 GLU CA C 39 59.711 59.784 -0.073 1
1 431 . 6 1 1 A 39 39 GLU CB C 39 28.947 29.194 -0.247 1
1 433 . 6 1 1 A 39 39 GLU N N 39 116.083 117.521 -1.438 1
1 434 . 6 1 1 A 40 40 MET H H 40 7.578 8.267 -0.689 1
1 435 . 6 1 1 A 40 40 MET HA H 40 4.224 4.203 0.021 1
1 439 . 6 1 1 A 40 40 MET C C 40 178.433 178.081 0.352 1
1 440 . 6 1 1 A 40 40 MET CA C 40 58.112 58.571 -0.459 1
1 441 . 6 1 1 A 40 40 MET CB C 40 33.685 33.056 0.629 1
1 443 . 6 1 1 A 40 40 MET N N 40 119.520 118.857 0.663 1
1 444 . 6 1 1 A 41 41 ALA H H 41 8.324 7.692 0.632 1
1 445 . 6 1 1 A 41 41 ALA HA H 41 3.975 4.008 -0.033 1
1 449 . 6 1 1 A 41 41 ALA C C 41 177.857 178.749 -0.892 1
1 450 . 6 1 1 A 41 41 ALA CA C 41 54.797 55.245 -0.448 1
1 451 . 6 1 1 A 41 41 ALA CB C 41 18.982 18.239 0.743 1
1 452 . 6 1 1 A 41 41 ALA N N 41 121.259 121.239 0.020 1
1 453 . 6 1 1 A 42 42 GLU H H 42 7.833 7.709 0.124 1
1 454 . 6 1 1 A 42 42 GLU HA H 42 4.273 4.251 0.022 1
1 458 . 6 1 1 A 42 42 GLU C C 42 178.431 177.599 0.832 1
1 459 . 6 1 1 A 42 42 GLU CA C 42 58.268 58.202 0.066 1
1 460 . 6 1 1 A 42 42 GLU CB C 42 30.338 29.886 0.452 1
1 462 . 6 1 1 A 42 42 GLU N N 42 112.040 117.031 -4.991 1
1 463 . 6 1 1 A 43 43 ASN H H 43 7.688 7.560 0.128 1
1 464 . 6 1 1 A 43 43 ASN HA H 43 4.764 4.773 -0.009 1
1 469 . 6 1 1 A 43 43 ASN C C 43 174.879 175.542 -0.663 1
1 470 . 6 1 1 A 43 43 ASN CA C 43 54.854 54.883 -0.029 1
1 471 . 6 1 1 A 43 43 ASN CB C 43 41.148 40.152 0.996 1
1 472 . 6 1 1 A 43 43 ASN N N 43 113.488 116.501 -3.013 1
1 474 . 6 1 1 A 44 44 GLU H H 44 7.861 7.916 -0.055 1
1 475 . 6 1 1 A 44 44 GLU HA H 44 4.777 4.761 0.016 1
1 480 . 6 1 1 A 44 44 GLU C C 44 176.482 175.714 0.768 1
1 481 . 6 1 1 A 44 44 GLU CA C 44 54.576 54.510 0.066 1
1 482 . 6 1 1 A 44 44 GLU CB C 44 32.781 34.699 -1.918 1
1 484 . 6 1 1 A 44 44 GLU N N 44 118.109 117.078 1.031 1
1 485 . 6 1 1 A 45 45 ASP H H 45 8.707 8.615 0.092 1
1 486 . 6 1 1 A 45 45 ASP HA H 45 4.755 4.847 -0.092 1
1 488 . 6 1 1 A 45 45 ASP C C 45 176.643 175.144 1.499 1
1 489 . 6 1 1 A 45 45 ASP CA C 45 54.764 54.623 0.141 1
1 490 . 6 1 1 A 45 45 ASP CB C 45 40.807 40.992 -0.185 1
1 491 . 6 1 1 A 45 45 ASP N N 45 123.334 121.062 2.272 1
1 492 . 6 1 1 A 46 46 TYR H H 46 9.868 9.068 0.800 1
1 493 . 6 1 1 A 46 46 TYR HA H 46 4.671 5.397 -0.726 1
1 498 . 6 1 1 A 46 46 TYR C C 46 172.045 173.810 -1.765 1
1 499 . 6 1 1 A 46 46 TYR CA C 46 58.409 56.126 2.283 1
1 500 . 6 1 1 A 46 46 TYR CB C 46 40.085 41.958 -1.873 1
1 503 . 6 1 1 A 46 46 TYR N N 46 124.561 124.888 -0.327 1
1 504 . 6 1 1 A 47 47 ILE H H 47 7.520 8.351 -0.831 1
1 505 . 6 1 1 A 47 47 ILE HA H 47 4.344 4.486 -0.142 1
1 515 . 6 1 1 A 47 47 ILE C C 47 174.691 175.363 -0.672 1
1 516 . 6 1 1 A 47 47 ILE CA C 47 58.279 59.302 -1.023 1
1 517 . 6 1 1 A 47 47 ILE CB C 47 37.652 40.879 -3.227 1
1 521 . 6 1 1 A 47 47 ILE N N 47 128.737 126.470 2.267 1
1 522 . 6 1 1 A 48 48 CYS H H 48 9.142 8.306 0.836 1
1 523 . 6 1 1 A 48 48 CYS HA H 48 4.126 4.443 -0.317 1
1 526 . 6 1 1 A 48 48 CYS C C 48 175.153 176.505 -1.352 1
1 527 . 6 1 1 A 48 48 CYS CA C 48 58.302 57.259 1.043 1
1 528 . 6 1 1 A 48 48 CYS CB C 48 32.494 29.716 2.778 1
1 529 . 6 1 1 A 48 48 CYS N N 48 130.912 125.487 5.425 1
1 530 . 6 1 1 A 49 49 ILE H H 49 7.748 8.670 -0.922 1
1 531 . 6 1 1 A 49 49 ILE HA H 49 3.956 3.761 0.195 1
1 541 . 6 1 1 A 49 49 ILE C C 49 177.115 177.498 -0.383 1
1 542 . 6 1 1 A 49 49 ILE CA C 49 63.096 63.890 -0.794 1
1 543 . 6 1 1 A 49 49 ILE CB C 49 38.630 37.550 1.080 1
1 547 . 6 1 1 A 49 49 ILE N N 49 113.518 117.976 -4.458 1
1 548 . 6 1 1 A 50 50 ASN H H 50 8.859 8.296 0.563 1
1 549 . 6 1 1 A 50 50 ASN HA H 50 4.709 4.567 0.142 1
1 554 . 6 1 1 A 50 50 ASN C C 50 176.868 176.349 0.519 1
1 555 . 6 1 1 A 50 50 ASN CA C 50 55.433 55.400 0.033 1
1 556 . 6 1 1 A 50 50 ASN CB C 50 39.690 38.575 1.115 1
1 557 . 6 1 1 A 50 50 ASN N N 50 121.721 119.642 2.079 1
1 559 . 6 1 1 A 51 51 CYS H H 51 8.213 7.614 0.599 1
1 560 . 6 1 1 A 51 51 CYS HA H 51 4.113 4.604 -0.491 1
1 563 . 6 1 1 A 51 51 CYS C C 51 174.832 174.211 0.621 1
1 564 . 6 1 1 A 51 51 CYS CA C 51 62.048 58.489 3.559 1
1 565 . 6 1 1 A 51 51 CYS CB C 51 31.516 28.370 3.146 1
1 566 . 6 1 1 A 51 51 CYS N N 51 123.810 115.711 8.099 1
1 3 . 7 1 1 A 2 2 VAL H H 2 8.368 8.116 0.252 1
1 4 . 7 1 1 A 2 2 VAL HA H 2 5.250 4.631 0.619 1
1 12 . 7 1 1 A 2 2 VAL C C 2 176.070 175.059 1.011 1
1 13 . 7 1 1 A 2 2 VAL CA C 2 60.705 61.346 -0.641 1
1 14 . 7 1 1 A 2 2 VAL CB C 2 34.398 33.958 0.440 1
1 17 . 7 1 1 A 2 2 VAL N N 2 119.964 117.952 2.012 1
1 18 . 7 1 1 A 3 3 CYS H H 3 9.183 9.368 -0.185 1
1 19 . 7 1 1 A 3 3 CYS HA H 3 5.172 5.304 -0.132 1
1 22 . 7 1 1 A 3 3 CYS C C 3 173.772 173.971 -0.199 1
1 23 . 7 1 1 A 3 3 CYS CA C 3 56.558 56.236 0.322 1
1 24 . 7 1 1 A 3 3 CYS CB C 3 32.206 30.860 1.346 1
1 25 . 7 1 1 A 3 3 CYS N N 3 128.120 124.889 3.231 1
1 26 . 7 1 1 A 4 4 ALA H H 4 7.110 8.729 -1.619 1
1 27 . 7 1 1 A 4 4 ALA HA H 4 4.234 4.695 -0.461 1
1 31 . 7 1 1 A 4 4 ALA C C 4 177.661 176.220 1.441 1
1 32 . 7 1 1 A 4 4 ALA CA C 4 52.987 51.242 1.745 1
1 33 . 7 1 1 A 4 4 ALA CB C 4 19.004 17.888 1.116 1
1 34 . 7 1 1 A 4 4 ALA N N 4 117.697 123.749 -6.052 1
1 35 . 7 1 1 A 5 5 ALA H H 5 9.154 7.413 1.741 1
1 36 . 7 1 1 A 5 5 ALA HA H 5 4.565 4.670 -0.105 1
1 40 . 7 1 1 A 5 5 ALA C C 5 177.851 177.884 -0.033 1
1 41 . 7 1 1 A 5 5 ALA CA C 5 53.029 50.676 2.353 1
1 42 . 7 1 1 A 5 5 ALA CB C 5 19.533 20.716 -1.183 1
1 43 . 7 1 1 A 5 5 ALA N N 5 125.563 122.750 2.813 1
1 44 . 7 1 1 A 6 6 GLN H H 6 8.946 8.711 0.235 1
1 45 . 7 1 1 A 6 6 GLN HA H 6 4.098 4.050 0.048 1
1 52 . 7 1 1 A 6 6 GLN C C 6 176.708 176.900 -0.192 1
1 53 . 7 1 1 A 6 6 GLN CA C 6 58.555 59.579 -1.024 1
1 54 . 7 1 1 A 6 6 GLN CB C 6 28.397 28.660 -0.263 1
1 56 . 7 1 1 A 6 6 GLN N N 6 122.944 122.168 0.776 1
1 58 . 7 1 1 A 7 7 ASN H H 7 8.399 7.793 0.606 1
1 59 . 7 1 1 A 7 7 ASN HA H 7 4.848 4.901 -0.053 1
1 64 . 7 1 1 A 7 7 ASN C C 7 173.923 173.971 -0.048 1
1 65 . 7 1 1 A 7 7 ASN CA C 7 51.808 51.578 0.230 1
1 66 . 7 1 1 A 7 7 ASN CB C 7 37.850 38.292 -0.442 1
1 67 . 7 1 1 A 7 7 ASN N N 7 115.700 116.640 -0.940 1
1 69 . 7 1 1 A 8 8 CYS H H 8 7.655 8.759 -1.104 1
1 70 . 7 1 1 A 8 8 CYS HA H 8 4.947 5.227 -0.280 1
1 73 . 7 1 1 A 8 8 CYS C C 8 177.267 173.765 3.502 1
1 74 . 7 1 1 A 8 8 CYS CA C 8 59.479 57.586 1.893 1
1 75 . 7 1 1 A 8 8 CYS CB C 8 29.085 30.325 -1.240 1
1 76 . 7 1 1 A 8 8 CYS N N 8 122.410 124.298 -1.888 1
1 77 . 7 1 1 A 9 9 GLN H H 9 9.901 8.686 1.215 1
1 78 . 7 1 1 A 9 9 GLN HA H 9 4.193 4.910 -0.717 1
1 85 . 7 1 1 A 9 9 GLN C C 9 175.088 174.685 0.403 1
1 86 . 7 1 1 A 9 9 GLN CA C 9 56.730 54.462 2.268 1
1 87 . 7 1 1 A 9 9 GLN CB C 9 28.833 31.526 -2.693 1
1 89 . 7 1 1 A 9 9 GLN N N 9 133.116 124.684 8.432 1
1 91 . 7 1 1 A 10 10 ARG H H 10 10.013 8.620 1.393 1
1 92 . 7 1 1 A 10 10 ARG HA H 10 4.138 4.840 -0.702 1
1 98 . 7 1 1 A 10 10 ARG CA C 10 55.426 52.563 2.863 1
1 99 . 7 1 1 A 10 10 ARG CB C 10 28.647 30.616 -1.969 1
1 102 . 7 1 1 A 10 10 ARG N N 10 121.692 122.978 -1.286 1
1 103 . 7 1 1 A 11 11 PRO HA H 11 4.178 4.275 -0.097 1
1 110 . 7 1 1 A 11 11 PRO C C 11 177.355 177.294 0.061 1
1 111 . 7 1 1 A 11 11 PRO CA C 11 63.005 65.615 -2.610 1
1 112 . 7 1 1 A 11 11 PRO CB C 11 31.662 31.398 0.264 1
1 115 . 7 1 1 A 12 12 CYS H H 12 8.662 7.938 0.724 1
1 116 . 7 1 1 A 12 12 CYS HA H 12 4.629 4.150 0.479 1
1 119 . 7 1 1 A 12 12 CYS C C 12 173.972 173.975 -0.003 1
1 120 . 7 1 1 A 12 12 CYS CA C 12 58.103 60.322 -2.219 1
1 121 . 7 1 1 A 12 12 CYS CB C 12 27.951 26.336 1.615 1
1 122 . 7 1 1 A 12 12 CYS N N 12 120.690 114.919 5.771 1
1 123 . 7 1 1 A 13 13 LYS H H 13 7.138 7.925 -0.787 1
1 124 . 7 1 1 A 13 13 LYS HA H 13 4.406 4.343 0.063 1
1 131 . 7 1 1 A 13 13 LYS C C 13 174.846 177.709 -2.863 1
1 132 . 7 1 1 A 13 13 LYS CA C 13 55.401 55.679 -0.278 1
1 133 . 7 1 1 A 13 13 LYS CB C 13 34.650 33.612 1.038 1
1 137 . 7 1 1 A 13 13 LYS N N 13 121.573 119.494 2.079 1
1 138 . 7 1 1 A 14 14 ASP H H 14 8.395 8.668 -0.273 1
1 139 . 7 1 1 A 14 14 ASP HA H 14 4.301 4.344 -0.043 1
1 142 . 7 1 1 A 14 14 ASP C C 14 176.114 176.890 -0.776 1
1 143 . 7 1 1 A 14 14 ASP CA C 14 57.107 57.619 -0.512 1
1 144 . 7 1 1 A 14 14 ASP CB C 14 40.801 41.254 -0.453 1
1 145 . 7 1 1 A 14 14 ASP N N 14 118.919 120.660 -1.741 1
1 146 . 7 1 1 A 15 15 LYS H H 15 7.593 7.965 -0.372 1
1 147 . 7 1 1 A 15 15 LYS HA H 15 4.818 4.808 0.010 1
1 155 . 7 1 1 A 15 15 LYS C C 15 175.145 175.426 -0.281 1
1 156 . 7 1 1 A 15 15 LYS CA C 15 55.491 54.895 0.596 1
1 157 . 7 1 1 A 15 15 LYS CB C 15 34.485 34.921 -0.436 1
1 161 . 7 1 1 A 15 15 LYS N N 15 117.259 117.816 -0.557 1
1 162 . 7 1 1 A 16 16 VAL H H 16 8.811 9.162 -0.351 1
1 163 . 7 1 1 A 16 16 VAL HA H 16 4.083 4.918 -0.835 1
1 171 . 7 1 1 A 16 16 VAL C C 16 174.356 174.503 -0.147 1
1 172 . 7 1 1 A 16 16 VAL CA C 16 61.679 59.082 2.597 1
1 173 . 7 1 1 A 16 16 VAL CB C 16 34.315 35.205 -0.890 1
1 176 . 7 1 1 A 16 16 VAL N N 16 123.375 118.089 5.286 1
1 177 . 7 1 1 A 17 17 ASP H H 17 7.938 8.426 -0.488 1
1 178 . 7 1 1 A 17 17 ASP HA H 17 5.639 5.298 0.341 1
1 181 . 7 1 1 A 17 17 ASP C C 17 177.550 175.562 1.988 1
1 182 . 7 1 1 A 17 17 ASP CA C 17 54.991 53.915 1.076 1
1 183 . 7 1 1 A 17 17 ASP CB C 17 43.020 42.206 0.814 1
1 184 . 7 1 1 A 17 17 ASP N N 17 124.698 122.126 2.572 1
1 185 . 7 1 1 A 18 18 TRP H H 18 9.636 9.044 0.592 1
1 186 . 7 1 1 A 18 18 TRP HA H 18 5.793 5.964 -0.171 1
1 195 . 7 1 1 A 18 18 TRP C C 18 176.051 175.298 0.753 1
1 196 . 7 1 1 A 18 18 TRP CA C 18 56.881 56.171 0.710 1
1 197 . 7 1 1 A 18 18 TRP CB C 18 34.097 34.192 -0.095 1
1 203 . 7 1 1 A 18 18 TRP N N 18 123.330 121.742 1.588 1
1 205 . 7 1 1 A 19 19 VAL H H 19 10.592 9.057 1.535 1
1 206 . 7 1 1 A 19 19 VAL HA H 19 5.409 4.939 0.470 1
1 214 . 7 1 1 A 19 19 VAL C C 19 170.168 173.443 -3.275 1
1 215 . 7 1 1 A 19 19 VAL CA C 19 60.297 60.639 -0.342 1
1 216 . 7 1 1 A 19 19 VAL CB C 19 36.269 36.130 0.139 1
1 219 . 7 1 1 A 19 19 VAL N N 19 122.558 120.958 1.600 1
1 220 . 7 1 1 A 20 20 GLN H H 20 8.359 8.737 -0.378 1
1 221 . 7 1 1 A 20 20 GLN HA H 20 4.728 4.522 0.206 1
1 228 . 7 1 1 A 20 20 GLN C C 20 176.280 175.048 1.232 1
1 229 . 7 1 1 A 20 20 GLN CA C 20 53.251 53.114 0.137 1
1 230 . 7 1 1 A 20 20 GLN CB C 20 28.640 31.212 -2.572 1
1 232 . 7 1 1 A 20 20 GLN N N 20 132.425 125.841 6.584 1
1 234 . 7 1 1 A 21 21 CYS H H 21 8.618 8.547 0.071 1
1 235 . 7 1 1 A 21 21 CYS HA H 21 4.601 4.843 -0.242 1
1 238 . 7 1 1 A 21 21 CYS C C 21 177.580 175.233 2.347 1
1 239 . 7 1 1 A 21 21 CYS CA C 21 61.339 59.454 1.885 1
1 240 . 7 1 1 A 21 21 CYS CB C 21 32.597 28.036 4.561 1
1 241 . 7 1 1 A 21 21 CYS N N 21 128.017 124.516 3.501 1
1 242 . 7 1 1 A 22 22 ASP H H 22 10.211 9.450 0.761 1
1 243 . 7 1 1 A 22 22 ASP HA H 22 4.926 4.877 0.049 1
1 246 . 7 1 1 A 22 22 ASP C C 22 177.366 176.674 0.692 1
1 247 . 7 1 1 A 22 22 ASP CA C 22 56.782 54.017 2.765 1
1 248 . 7 1 1 A 22 22 ASP CB C 22 43.715 41.657 2.058 1
1 249 . 7 1 1 A 22 22 ASP N N 22 128.881 125.713 3.168 1
1 250 . 7 1 1 A 23 23 GLY H H 23 11.136 7.964 3.172 1
1 251 . 7 1 1 A 23 23 GLY HA2 H 23 3.556 4.022 -0.466 1
1 252 . 7 1 1 A 23 23 GLY HA3 H 23 4.026 4.033 -0.007 1
1 253 . 7 1 1 A 23 23 GLY C C 23 173.584 174.412 -0.828 1
1 254 . 7 1 1 A 23 23 GLY CA C 23 45.651 45.370 0.281 1
1 255 . 7 1 1 A 23 23 GLY N N 23 117.638 107.643 9.995 1
1 256 . 7 1 1 A 24 24 GLY H H 24 8.906 7.294 1.612 1
1 257 . 7 1 1 A 24 24 GLY HA2 H 24 3.451 3.981 -0.530 1
1 258 . 7 1 1 A 24 24 GLY HA3 H 24 4.722 3.982 0.740 1
1 259 . 7 1 1 A 24 24 GLY C C 24 175.467 174.805 0.662 1
1 260 . 7 1 1 A 24 24 GLY CA C 24 45.165 45.410 -0.245 1
1 261 . 7 1 1 A 24 24 GLY N N 24 109.634 107.479 2.155 1
1 262 . 7 1 1 A 25 25 CYS H H 25 7.599 8.076 -0.477 1
1 263 . 7 1 1 A 25 25 CYS HA H 25 4.450 4.287 0.163 1
1 266 . 7 1 1 A 25 25 CYS C C 25 175.747 174.457 1.290 1
1 267 . 7 1 1 A 25 25 CYS CA C 25 60.192 60.603 -0.411 1
1 268 . 7 1 1 A 25 25 CYS CB C 25 30.266 28.430 1.836 1
1 269 . 7 1 1 A 25 25 CYS N N 25 119.707 120.688 -0.981 1
1 270 . 7 1 1 A 26 26 ASP H H 26 8.156 8.011 0.145 1
1 271 . 7 1 1 A 26 26 ASP HA H 26 4.364 4.285 0.079 1
1 274 . 7 1 1 A 26 26 ASP C C 26 175.426 174.518 0.908 1
1 275 . 7 1 1 A 26 26 ASP CA C 26 56.106 55.374 0.732 1
1 276 . 7 1 1 A 26 26 ASP CB C 26 40.889 39.157 1.732 1
1 277 . 7 1 1 A 26 26 ASP N N 26 118.432 117.956 0.476 1
1 278 . 7 1 1 A 27 27 GLU H H 27 9.181 7.660 1.521 1
1 279 . 7 1 1 A 27 27 GLU HA H 27 4.379 4.920 -0.541 1
1 284 . 7 1 1 A 27 27 GLU C C 27 175.329 175.012 0.317 1
1 285 . 7 1 1 A 27 27 GLU CA C 27 58.179 54.689 3.490 1
1 286 . 7 1 1 A 27 27 GLU CB C 27 30.604 33.196 -2.592 1
1 288 . 7 1 1 A 27 27 GLU N N 27 122.798 116.621 6.177 1
1 289 . 7 1 1 A 28 28 TRP H H 28 8.472 8.906 -0.434 1
1 290 . 7 1 1 A 28 28 TRP HA H 28 4.934 5.625 -0.691 1
1 299 . 7 1 1 A 28 28 TRP C C 28 175.838 176.179 -0.341 1
1 300 . 7 1 1 A 28 28 TRP CA C 28 57.313 55.664 1.649 1
1 301 . 7 1 1 A 28 28 TRP CB C 28 31.956 31.139 0.817 1
1 307 . 7 1 1 A 28 28 TRP N N 28 117.567 119.565 -1.998 1
1 309 . 7 1 1 A 29 29 PHE H H 29 9.792 9.029 0.763 1
1 310 . 7 1 1 A 29 29 PHE HA H 29 4.865 5.465 -0.600 1
1 316 . 7 1 1 A 29 29 PHE C C 29 176.573 172.786 3.787 1
1 317 . 7 1 1 A 29 29 PHE CA C 29 56.788 55.535 1.253 1
1 318 . 7 1 1 A 29 29 PHE CB C 29 42.755 41.858 0.897 1
1 322 . 7 1 1 A 29 29 PHE N N 29 120.754 118.873 1.881 1
1 323 . 7 1 1 A 30 30 HIS H H 30 9.889 8.561 1.328 1
1 324 . 7 1 1 A 30 30 HIS HA H 30 4.383 5.028 -0.645 1
1 328 . 7 1 1 A 30 30 HIS C C 30 177.229 176.301 0.928 1
1 329 . 7 1 1 A 30 30 HIS CA C 30 57.127 55.201 1.926 1
1 330 . 7 1 1 A 30 30 HIS CB C 30 29.589 31.614 -2.025 1
1 332 . 7 1 1 A 30 30 HIS N N 30 124.925 117.407 7.518 1
1 333 . 7 1 1 A 31 31 GLN H H 31 8.636 9.174 -0.538 1
1 334 . 7 1 1 A 31 31 GLN HA H 31 3.563 3.962 -0.399 1
1 341 . 7 1 1 A 31 31 GLN C C 31 178.836 178.056 0.780 1
1 342 . 7 1 1 A 31 31 GLN CA C 31 60.702 59.509 1.193 1
1 343 . 7 1 1 A 31 31 GLN CB C 31 26.688 28.302 -1.614 1
1 345 . 7 1 1 A 31 31 GLN N N 31 124.356 123.304 1.052 1
1 347 . 7 1 1 A 32 32 VAL H H 32 8.975 7.910 1.065 1
1 348 . 7 1 1 A 32 32 VAL HA H 32 4.096 3.891 0.205 1
1 356 . 7 1 1 A 32 32 VAL CA C 32 64.568 64.600 -0.032 1
1 357 . 7 1 1 A 32 32 VAL CB C 32 31.689 31.423 0.266 1
1 360 . 7 1 1 A 32 32 VAL N N 32 114.507 115.756 -1.249 1
1 361 . 7 1 1 A 33 33 CYS H H 33 6.770 7.617 -0.847 1
1 362 . 7 1 1 A 33 33 CYS HA H 33 4.139 4.330 -0.191 1
1 365 . 7 1 1 A 33 33 CYS C C 33 177.175 175.382 1.793 1
1 366 . 7 1 1 A 33 33 CYS CA C 33 62.799 61.037 1.762 1
1 367 . 7 1 1 A 33 33 CYS CB C 33 29.256 27.739 1.517 1
1 368 . 7 1 1 A 33 33 CYS N N 33 120.275 119.550 0.725 1
1 369 . 7 1 1 A 34 34 VAL H H 34 7.144 7.386 -0.242 1
1 370 . 7 1 1 A 34 34 VAL HA H 34 4.599 4.290 0.309 1
1 378 . 7 1 1 A 34 34 VAL C C 34 176.099 176.049 0.050 1
1 379 . 7 1 1 A 34 34 VAL CA C 34 60.218 61.837 -1.619 1
1 380 . 7 1 1 A 34 34 VAL CB C 34 31.918 31.986 -0.068 1
1 383 . 7 1 1 A 34 34 VAL N N 34 106.458 119.781 -13.323 1
1 384 . 7 1 1 A 35 35 GLY H H 35 7.519 7.952 -0.433 1
1 385 . 7 1 1 A 35 35 GLY HA2 H 35 3.897 3.938 -0.041 1
1 386 . 7 1 1 A 35 35 GLY HA3 H 35 3.954 3.947 0.007 1
1 387 . 7 1 1 A 35 35 GLY C C 35 174.669 174.820 -0.151 1
1 388 . 7 1 1 A 35 35 GLY CA C 35 47.173 46.873 0.300 1
1 389 . 7 1 1 A 35 35 GLY N N 35 110.261 111.353 -1.092 1
1 390 . 7 1 1 A 36 36 VAL H H 36 7.556 8.670 -1.114 1
1 391 . 7 1 1 A 36 36 VAL HA H 36 4.480 4.027 0.453 1
1 399 . 7 1 1 A 36 36 VAL C C 36 174.103 175.329 -1.226 1
1 400 . 7 1 1 A 36 36 VAL CA C 36 60.273 61.923 -1.650 1
1 401 . 7 1 1 A 36 36 VAL CB C 36 34.388 32.599 1.789 1
1 404 . 7 1 1 A 36 36 VAL N N 36 117.579 120.527 -2.948 1
1 405 . 7 1 1 A 37 37 SER H H 37 8.097 8.529 -0.432 1
1 406 . 7 1 1 A 37 37 SER HA H 37 4.846 5.001 -0.155 1
1 409 . 7 1 1 A 37 37 SER CA C 37 55.675 55.444 0.231 1
1 410 . 7 1 1 A 37 37 SER CB C 37 63.614 64.545 -0.931 1
1 411 . 7 1 1 A 37 37 SER N N 37 122.439 121.754 0.685 1
1 412 . 7 1 1 A 38 38 PRO HA H 38 4.467 4.272 0.195 1
1 418 . 7 1 1 A 38 38 PRO C C 38 179.393 178.740 0.653 1
1 419 . 7 1 1 A 38 38 PRO CA C 38 65.685 65.632 0.053 1
1 420 . 7 1 1 A 38 38 PRO CB C 38 32.027 31.771 0.256 1
1 423 . 7 1 1 A 39 39 GLU H H 39 8.536 8.423 0.113 1
1 424 . 7 1 1 A 39 39 GLU HA H 39 4.080 4.041 0.039 1
1 429 . 7 1 1 A 39 39 GLU C C 39 178.722 179.468 -0.746 1
1 430 . 7 1 1 A 39 39 GLU CA C 39 59.711 59.767 -0.056 1
1 431 . 7 1 1 A 39 39 GLU CB C 39 28.947 29.122 -0.175 1
1 433 . 7 1 1 A 39 39 GLU N N 39 116.083 117.502 -1.419 1
1 434 . 7 1 1 A 40 40 MET H H 40 7.578 8.256 -0.678 1
1 435 . 7 1 1 A 40 40 MET HA H 40 4.224 4.197 0.027 1
1 439 . 7 1 1 A 40 40 MET C C 40 178.433 178.072 0.361 1
1 440 . 7 1 1 A 40 40 MET CA C 40 58.112 58.534 -0.422 1
1 441 . 7 1 1 A 40 40 MET CB C 40 33.685 33.061 0.624 1
1 443 . 7 1 1 A 40 40 MET N N 40 119.520 119.041 0.479 1
1 444 . 7 1 1 A 41 41 ALA H H 41 8.324 7.468 0.856 1
1 445 . 7 1 1 A 41 41 ALA HA H 41 3.975 4.083 -0.108 1
1 449 . 7 1 1 A 41 41 ALA C C 41 177.857 178.757 -0.900 1
1 450 . 7 1 1 A 41 41 ALA CA C 41 54.797 54.921 -0.124 1
1 451 . 7 1 1 A 41 41 ALA CB C 41 18.982 18.282 0.700 1
1 452 . 7 1 1 A 41 41 ALA N N 41 121.259 121.244 0.015 1
1 453 . 7 1 1 A 42 42 GLU H H 42 7.833 7.669 0.164 1
1 454 . 7 1 1 A 42 42 GLU HA H 42 4.273 4.253 0.020 1
1 458 . 7 1 1 A 42 42 GLU C C 42 178.431 178.569 -0.138 1
1 459 . 7 1 1 A 42 42 GLU CA C 42 58.268 58.411 -0.143 1
1 460 . 7 1 1 A 42 42 GLU CB C 42 30.338 29.846 0.492 1
1 462 . 7 1 1 A 42 42 GLU N N 42 112.040 117.168 -5.128 1
1 463 . 7 1 1 A 43 43 ASN H H 43 7.688 7.628 0.060 1
1 464 . 7 1 1 A 43 43 ASN HA H 43 4.764 4.680 0.084 1
1 469 . 7 1 1 A 43 43 ASN C C 43 174.879 175.527 -0.648 1
1 470 . 7 1 1 A 43 43 ASN CA C 43 54.854 55.212 -0.358 1
1 471 . 7 1 1 A 43 43 ASN CB C 43 41.148 39.542 1.606 1
1 472 . 7 1 1 A 43 43 ASN N N 43 113.488 116.707 -3.219 1
1 474 . 7 1 1 A 44 44 GLU H H 44 7.861 7.384 0.477 1
1 475 . 7 1 1 A 44 44 GLU HA H 44 4.777 4.824 -0.047 1
1 480 . 7 1 1 A 44 44 GLU C C 44 176.482 175.579 0.903 1
1 481 . 7 1 1 A 44 44 GLU CA C 44 54.576 54.465 0.111 1
1 482 . 7 1 1 A 44 44 GLU CB C 44 32.781 34.705 -1.924 1
1 484 . 7 1 1 A 44 44 GLU N N 44 118.109 117.082 1.027 1
1 485 . 7 1 1 A 45 45 ASP H H 45 8.707 8.562 0.145 1
1 486 . 7 1 1 A 45 45 ASP HA H 45 4.755 4.628 0.127 1
1 488 . 7 1 1 A 45 45 ASP C C 45 176.643 175.155 1.488 1
1 489 . 7 1 1 A 45 45 ASP CA C 45 54.764 54.597 0.167 1
1 490 . 7 1 1 A 45 45 ASP CB C 45 40.807 40.883 -0.076 1
1 491 . 7 1 1 A 45 45 ASP N N 45 123.334 120.940 2.394 1
1 492 . 7 1 1 A 46 46 TYR H H 46 9.868 9.012 0.856 1
1 493 . 7 1 1 A 46 46 TYR HA H 46 4.671 5.416 -0.745 1
1 498 . 7 1 1 A 46 46 TYR C C 46 172.045 174.008 -1.963 1
1 499 . 7 1 1 A 46 46 TYR CA C 46 58.409 56.306 2.103 1
1 500 . 7 1 1 A 46 46 TYR CB C 46 40.085 41.778 -1.693 1
1 503 . 7 1 1 A 46 46 TYR N N 46 124.561 124.888 -0.327 1
1 504 . 7 1 1 A 47 47 ILE H H 47 7.520 8.471 -0.951 1
1 505 . 7 1 1 A 47 47 ILE HA H 47 4.344 4.532 -0.188 1
1 515 . 7 1 1 A 47 47 ILE C C 47 174.691 175.541 -0.850 1
1 516 . 7 1 1 A 47 47 ILE CA C 47 58.279 59.639 -1.360 1
1 517 . 7 1 1 A 47 47 ILE CB C 47 37.652 40.445 -2.793 1
1 521 . 7 1 1 A 47 47 ILE N N 47 128.737 126.919 1.818 1
1 522 . 7 1 1 A 48 48 CYS H H 48 9.142 8.373 0.769 1
1 523 . 7 1 1 A 48 48 CYS HA H 48 4.126 4.433 -0.307 1
1 526 . 7 1 1 A 48 48 CYS C C 48 175.153 176.220 -1.067 1
1 527 . 7 1 1 A 48 48 CYS CA C 48 58.302 57.676 0.626 1
1 528 . 7 1 1 A 48 48 CYS CB C 48 32.494 29.694 2.800 1
1 529 . 7 1 1 A 48 48 CYS N N 48 130.912 126.405 4.507 1
1 530 . 7 1 1 A 49 49 ILE H H 49 7.748 8.645 -0.897 1
1 531 . 7 1 1 A 49 49 ILE HA H 49 3.956 3.775 0.181 1
1 541 . 7 1 1 A 49 49 ILE C C 49 177.115 177.564 -0.449 1
1 542 . 7 1 1 A 49 49 ILE CA C 49 63.096 63.606 -0.510 1
1 543 . 7 1 1 A 49 49 ILE CB C 49 38.630 37.681 0.949 1
1 547 . 7 1 1 A 49 49 ILE N N 49 113.518 118.622 -5.104 1
1 548 . 7 1 1 A 50 50 ASN H H 50 8.859 8.296 0.563 1
1 549 . 7 1 1 A 50 50 ASN HA H 50 4.709 4.484 0.225 1
1 554 . 7 1 1 A 50 50 ASN C C 50 176.868 176.910 -0.042 1
1 555 . 7 1 1 A 50 50 ASN CA C 50 55.433 55.961 -0.528 1
1 556 . 7 1 1 A 50 50 ASN CB C 50 39.690 38.282 1.408 1
1 557 . 7 1 1 A 50 50 ASN N N 50 121.721 119.303 2.418 1
1 559 . 7 1 1 A 51 51 CYS H H 51 8.213 7.471 0.742 1
1 560 . 7 1 1 A 51 51 CYS HA H 51 4.113 4.518 -0.405 1
1 563 . 7 1 1 A 51 51 CYS C C 51 174.832 174.612 0.220 1
1 564 . 7 1 1 A 51 51 CYS CA C 51 62.048 58.330 3.718 1
1 565 . 7 1 1 A 51 51 CYS CB C 51 31.516 27.451 4.065 1
1 566 . 7 1 1 A 51 51 CYS N N 51 123.810 115.041 8.769 1
1 3 . 8 1 1 A 2 2 VAL H H 2 8.368 7.907 0.461 1
1 4 . 8 1 1 A 2 2 VAL HA H 2 5.250 4.659 0.591 1
1 12 . 8 1 1 A 2 2 VAL C C 2 176.070 174.964 1.106 1
1 13 . 8 1 1 A 2 2 VAL CA C 2 60.705 60.574 0.131 1
1 14 . 8 1 1 A 2 2 VAL CB C 2 34.398 34.548 -0.150 1
1 17 . 8 1 1 A 2 2 VAL N N 2 119.964 118.110 1.854 1
1 18 . 8 1 1 A 3 3 CYS H H 3 9.183 9.033 0.150 1
1 19 . 8 1 1 A 3 3 CYS HA H 3 5.172 5.159 0.013 1
1 22 . 8 1 1 A 3 3 CYS C C 3 173.772 174.327 -0.555 1
1 23 . 8 1 1 A 3 3 CYS CA C 3 56.558 56.265 0.293 1
1 24 . 8 1 1 A 3 3 CYS CB C 3 32.206 30.251 1.955 1
1 25 . 8 1 1 A 3 3 CYS N N 3 128.120 124.559 3.561 1
1 26 . 8 1 1 A 4 4 ALA H H 4 7.110 8.423 -1.313 1
1 27 . 8 1 1 A 4 4 ALA HA H 4 4.234 4.688 -0.454 1
1 31 . 8 1 1 A 4 4 ALA C C 4 177.661 176.271 1.390 1
1 32 . 8 1 1 A 4 4 ALA CA C 4 52.987 51.239 1.748 1
1 33 . 8 1 1 A 4 4 ALA CB C 4 19.004 18.084 0.920 1
1 34 . 8 1 1 A 4 4 ALA N N 4 117.697 123.598 -5.901 1
1 35 . 8 1 1 A 5 5 ALA H H 5 9.154 7.411 1.743 1
1 36 . 8 1 1 A 5 5 ALA HA H 5 4.565 4.781 -0.216 1
1 40 . 8 1 1 A 5 5 ALA C C 5 177.851 177.790 0.061 1
1 41 . 8 1 1 A 5 5 ALA CA C 5 53.029 50.811 2.218 1
1 42 . 8 1 1 A 5 5 ALA CB C 5 19.533 20.742 -1.209 1
1 43 . 8 1 1 A 5 5 ALA N N 5 125.563 122.906 2.657 1
1 44 . 8 1 1 A 6 6 GLN H H 6 8.946 8.970 -0.024 1
1 45 . 8 1 1 A 6 6 GLN HA H 6 4.098 3.995 0.103 1
1 52 . 8 1 1 A 6 6 GLN C C 6 176.708 177.102 -0.394 1
1 53 . 8 1 1 A 6 6 GLN CA C 6 58.555 59.355 -0.800 1
1 54 . 8 1 1 A 6 6 GLN CB C 6 28.397 28.940 -0.543 1
1 56 . 8 1 1 A 6 6 GLN N N 6 122.944 122.729 0.215 1
1 58 . 8 1 1 A 7 7 ASN H H 7 8.399 7.748 0.651 1
1 59 . 8 1 1 A 7 7 ASN HA H 7 4.848 4.921 -0.073 1
1 64 . 8 1 1 A 7 7 ASN C C 7 173.923 174.666 -0.743 1
1 65 . 8 1 1 A 7 7 ASN CA C 7 51.808 52.048 -0.240 1
1 66 . 8 1 1 A 7 7 ASN CB C 7 37.850 38.823 -0.973 1
1 67 . 8 1 1 A 7 7 ASN N N 7 115.700 115.638 0.062 1
1 69 . 8 1 1 A 8 8 CYS H H 8 7.655 7.178 0.477 1
1 70 . 8 1 1 A 8 8 CYS HA H 8 4.947 4.428 0.519 1
1 73 . 8 1 1 A 8 8 CYS C C 8 177.267 174.711 2.556 1
1 74 . 8 1 1 A 8 8 CYS CA C 8 59.479 59.717 -0.238 1
1 75 . 8 1 1 A 8 8 CYS CB C 8 29.085 28.613 0.472 1
1 76 . 8 1 1 A 8 8 CYS N N 8 122.410 120.681 1.729 1
1 77 . 8 1 1 A 9 9 GLN H H 9 9.901 8.709 1.192 1
1 78 . 8 1 1 A 9 9 GLN HA H 9 4.193 4.957 -0.764 1
1 85 . 8 1 1 A 9 9 GLN C C 9 175.088 174.354 0.734 1
1 86 . 8 1 1 A 9 9 GLN CA C 9 56.730 54.488 2.242 1
1 87 . 8 1 1 A 9 9 GLN CB C 9 28.833 32.184 -3.351 1
1 89 . 8 1 1 A 9 9 GLN N N 9 133.116 124.222 8.894 1
1 91 . 8 1 1 A 10 10 ARG H H 10 10.013 8.502 1.511 1
1 92 . 8 1 1 A 10 10 ARG HA H 10 4.138 4.875 -0.737 1
1 98 . 8 1 1 A 10 10 ARG CA C 10 55.426 52.827 2.599 1
1 99 . 8 1 1 A 10 10 ARG CB C 10 28.647 31.095 -2.448 1
1 102 . 8 1 1 A 10 10 ARG N N 10 121.692 121.677 0.015 1
1 103 . 8 1 1 A 11 11 PRO HA H 11 4.178 4.575 -0.397 1
1 110 . 8 1 1 A 11 11 PRO C C 11 177.355 176.446 0.909 1
1 111 . 8 1 1 A 11 11 PRO CA C 11 63.005 63.387 -0.382 1
1 112 . 8 1 1 A 11 11 PRO CB C 11 31.662 31.766 -0.104 1
1 115 . 8 1 1 A 12 12 CYS H H 12 8.662 7.850 0.812 1
1 116 . 8 1 1 A 12 12 CYS HA H 12 4.629 4.496 0.133 1
1 119 . 8 1 1 A 12 12 CYS C C 12 173.972 174.718 -0.746 1
1 120 . 8 1 1 A 12 12 CYS CA C 12 58.103 58.834 -0.731 1
1 121 . 8 1 1 A 12 12 CYS CB C 12 27.951 26.862 1.089 1
1 122 . 8 1 1 A 12 12 CYS N N 12 120.690 118.672 2.018 1
1 123 . 8 1 1 A 13 13 LYS H H 13 7.138 8.548 -1.410 1
1 124 . 8 1 1 A 13 13 LYS HA H 13 4.406 4.615 -0.209 1
1 131 . 8 1 1 A 13 13 LYS C C 13 174.846 177.583 -2.737 1
1 132 . 8 1 1 A 13 13 LYS CA C 13 55.401 55.161 0.240 1
1 133 . 8 1 1 A 13 13 LYS CB C 13 34.650 34.144 0.506 1
1 137 . 8 1 1 A 13 13 LYS N N 13 121.573 124.772 -3.199 1
1 138 . 8 1 1 A 14 14 ASP H H 14 8.395 8.676 -0.281 1
1 139 . 8 1 1 A 14 14 ASP HA H 14 4.301 4.420 -0.119 1
1 142 . 8 1 1 A 14 14 ASP C C 14 176.114 176.687 -0.573 1
1 143 . 8 1 1 A 14 14 ASP CA C 14 57.107 57.110 -0.003 1
1 144 . 8 1 1 A 14 14 ASP CB C 14 40.801 41.198 -0.397 1
1 145 . 8 1 1 A 14 14 ASP N N 14 118.919 120.926 -2.007 1
1 146 . 8 1 1 A 15 15 LYS H H 15 7.593 7.912 -0.319 1
1 147 . 8 1 1 A 15 15 LYS HA H 15 4.818 4.777 0.041 1
1 155 . 8 1 1 A 15 15 LYS C C 15 175.145 176.188 -1.043 1
1 156 . 8 1 1 A 15 15 LYS CA C 15 55.491 55.874 -0.383 1
1 157 . 8 1 1 A 15 15 LYS CB C 15 34.485 33.150 1.335 1
1 161 . 8 1 1 A 15 15 LYS N N 15 117.259 117.867 -0.608 1
1 162 . 8 1 1 A 16 16 VAL H H 16 8.811 8.918 -0.107 1
1 163 . 8 1 1 A 16 16 VAL HA H 16 4.083 4.961 -0.878 1
1 171 . 8 1 1 A 16 16 VAL C C 16 174.356 174.095 0.261 1
1 172 . 8 1 1 A 16 16 VAL CA C 16 61.679 58.773 2.906 1
1 173 . 8 1 1 A 16 16 VAL CB C 16 34.315 35.927 -1.612 1
1 176 . 8 1 1 A 16 16 VAL N N 16 123.375 117.650 5.725 1
1 177 . 8 1 1 A 17 17 ASP H H 17 7.938 8.580 -0.642 1
1 178 . 8 1 1 A 17 17 ASP HA H 17 5.639 5.407 0.232 1
1 181 . 8 1 1 A 17 17 ASP C C 17 177.550 175.563 1.987 1
1 182 . 8 1 1 A 17 17 ASP CA C 17 54.991 53.310 1.681 1
1 183 . 8 1 1 A 17 17 ASP CB C 17 43.020 43.263 -0.243 1
1 184 . 8 1 1 A 17 17 ASP N N 17 124.698 121.617 3.081 1
1 185 . 8 1 1 A 18 18 TRP H H 18 9.636 9.154 0.482 1
1 186 . 8 1 1 A 18 18 TRP HA H 18 5.793 6.018 -0.225 1
1 195 . 8 1 1 A 18 18 TRP C C 18 176.051 175.412 0.639 1
1 196 . 8 1 1 A 18 18 TRP CA C 18 56.881 56.146 0.735 1
1 197 . 8 1 1 A 18 18 TRP CB C 18 34.097 34.454 -0.357 1
1 203 . 8 1 1 A 18 18 TRP N N 18 123.330 122.022 1.308 1
1 205 . 8 1 1 A 19 19 VAL H H 19 10.592 8.955 1.637 1
1 206 . 8 1 1 A 19 19 VAL HA H 19 5.409 4.979 0.430 1
1 214 . 8 1 1 A 19 19 VAL C C 19 170.168 173.644 -3.476 1
1 215 . 8 1 1 A 19 19 VAL CA C 19 60.297 60.693 -0.396 1
1 216 . 8 1 1 A 19 19 VAL CB C 19 36.269 35.990 0.279 1
1 219 . 8 1 1 A 19 19 VAL N N 19 122.558 120.161 2.397 1
1 220 . 8 1 1 A 20 20 GLN H H 20 8.359 8.871 -0.512 1
1 221 . 8 1 1 A 20 20 GLN HA H 20 4.728 4.521 0.207 1
1 228 . 8 1 1 A 20 20 GLN C C 20 176.280 175.423 0.857 1
1 229 . 8 1 1 A 20 20 GLN CA C 20 53.251 53.306 -0.055 1
1 230 . 8 1 1 A 20 20 GLN CB C 20 28.640 31.135 -2.495 1
1 232 . 8 1 1 A 20 20 GLN N N 20 132.425 126.453 5.972 1
1 234 . 8 1 1 A 21 21 CYS H H 21 8.618 8.369 0.249 1
1 235 . 8 1 1 A 21 21 CYS HA H 21 4.601 4.873 -0.272 1
1 238 . 8 1 1 A 21 21 CYS C C 21 177.580 175.695 1.885 1
1 239 . 8 1 1 A 21 21 CYS CA C 21 61.339 59.367 1.972 1
1 240 . 8 1 1 A 21 21 CYS CB C 21 32.597 28.483 4.114 1
1 241 . 8 1 1 A 21 21 CYS N N 21 128.017 125.183 2.834 1
1 242 . 8 1 1 A 22 22 ASP H H 22 10.211 9.340 0.871 1
1 243 . 8 1 1 A 22 22 ASP HA H 22 4.926 4.830 0.096 1
1 246 . 8 1 1 A 22 22 ASP C C 22 177.366 176.973 0.393 1
1 247 . 8 1 1 A 22 22 ASP CA C 22 56.782 54.367 2.415 1
1 248 . 8 1 1 A 22 22 ASP CB C 22 43.715 41.260 2.455 1
1 249 . 8 1 1 A 22 22 ASP N N 22 128.881 127.622 1.259 1
1 250 . 8 1 1 A 23 23 GLY H H 23 11.136 7.442 3.694 1
1 251 . 8 1 1 A 23 23 GLY HA2 H 23 3.556 3.909 -0.353 1
1 252 . 8 1 1 A 23 23 GLY HA3 H 23 4.026 3.915 0.111 1
1 253 . 8 1 1 A 23 23 GLY C C 23 173.584 174.158 -0.574 1
1 254 . 8 1 1 A 23 23 GLY CA C 23 45.651 45.201 0.450 1
1 255 . 8 1 1 A 23 23 GLY N N 23 117.638 107.979 9.659 1
1 256 . 8 1 1 A 24 24 GLY H H 24 8.906 8.018 0.888 1
1 257 . 8 1 1 A 24 24 GLY HA2 H 24 3.451 3.990 -0.539 1
1 258 . 8 1 1 A 24 24 GLY HA3 H 24 4.722 3.996 0.726 1
1 259 . 8 1 1 A 24 24 GLY C C 24 175.467 174.939 0.528 1
1 260 . 8 1 1 A 24 24 GLY CA C 24 45.165 45.225 -0.060 1
1 261 . 8 1 1 A 24 24 GLY N N 24 109.634 107.704 1.930 1
1 262 . 8 1 1 A 25 25 CYS H H 25 7.599 7.671 -0.072 1
1 263 . 8 1 1 A 25 25 CYS HA H 25 4.450 4.358 0.092 1
1 266 . 8 1 1 A 25 25 CYS C C 25 175.747 175.063 0.684 1
1 267 . 8 1 1 A 25 25 CYS CA C 25 60.192 60.279 -0.087 1
1 268 . 8 1 1 A 25 25 CYS CB C 25 30.266 28.661 1.605 1
1 269 . 8 1 1 A 25 25 CYS N N 25 119.707 119.249 0.458 1
1 270 . 8 1 1 A 26 26 ASP H H 26 8.156 7.879 0.277 1
1 271 . 8 1 1 A 26 26 ASP HA H 26 4.364 4.094 0.270 1
1 274 . 8 1 1 A 26 26 ASP C C 26 175.426 174.926 0.500 1
1 275 . 8 1 1 A 26 26 ASP CA C 26 56.106 55.439 0.667 1
1 276 . 8 1 1 A 26 26 ASP CB C 26 40.889 39.570 1.319 1
1 277 . 8 1 1 A 26 26 ASP N N 26 118.432 117.354 1.078 1
1 278 . 8 1 1 A 27 27 GLU H H 27 9.181 7.436 1.745 1
1 279 . 8 1 1 A 27 27 GLU HA H 27 4.379 4.209 0.170 1
1 284 . 8 1 1 A 27 27 GLU C C 27 175.329 175.641 -0.312 1
1 285 . 8 1 1 A 27 27 GLU CA C 27 58.179 56.184 1.995 1
1 286 . 8 1 1 A 27 27 GLU CB C 27 30.604 30.137 0.467 1
1 288 . 8 1 1 A 27 27 GLU N N 27 122.798 117.507 5.291 1
1 289 . 8 1 1 A 28 28 TRP H H 28 8.472 8.842 -0.370 1
1 290 . 8 1 1 A 28 28 TRP HA H 28 4.934 5.768 -0.834 1
1 299 . 8 1 1 A 28 28 TRP C C 28 175.838 175.960 -0.122 1
1 300 . 8 1 1 A 28 28 TRP CA C 28 57.313 55.452 1.861 1
1 301 . 8 1 1 A 28 28 TRP CB C 28 31.956 30.591 1.365 1
1 307 . 8 1 1 A 28 28 TRP N N 28 117.567 122.569 -5.002 1
1 309 . 8 1 1 A 29 29 PHE H H 29 9.792 9.301 0.491 1
1 310 . 8 1 1 A 29 29 PHE HA H 29 4.865 5.564 -0.699 1
1 316 . 8 1 1 A 29 29 PHE C C 29 176.573 174.941 1.632 1
1 317 . 8 1 1 A 29 29 PHE CA C 29 56.788 56.344 0.444 1
1 318 . 8 1 1 A 29 29 PHE CB C 29 42.755 43.531 -0.776 1
1 322 . 8 1 1 A 29 29 PHE N N 29 120.754 121.223 -0.469 1
1 323 . 8 1 1 A 30 30 HIS H H 30 9.889 8.535 1.354 1
1 324 . 8 1 1 A 30 30 HIS HA H 30 4.383 5.003 -0.620 1
1 328 . 8 1 1 A 30 30 HIS C C 30 177.229 176.340 0.889 1
1 329 . 8 1 1 A 30 30 HIS CA C 30 57.127 55.097 2.030 1
1 330 . 8 1 1 A 30 30 HIS CB C 30 29.589 31.377 -1.788 1
1 332 . 8 1 1 A 30 30 HIS N N 30 124.925 118.384 6.541 1
1 333 . 8 1 1 A 31 31 GLN H H 31 8.636 9.036 -0.400 1
1 334 . 8 1 1 A 31 31 GLN HA H 31 3.563 3.823 -0.260 1
1 341 . 8 1 1 A 31 31 GLN C C 31 178.836 177.989 0.847 1
1 342 . 8 1 1 A 31 31 GLN CA C 31 60.702 59.729 0.973 1
1 343 . 8 1 1 A 31 31 GLN CB C 31 26.688 28.339 -1.651 1
1 345 . 8 1 1 A 31 31 GLN N N 31 124.356 122.880 1.476 1
1 347 . 8 1 1 A 32 32 VAL H H 32 8.975 7.959 1.016 1
1 348 . 8 1 1 A 32 32 VAL HA H 32 4.096 3.889 0.207 1
1 356 . 8 1 1 A 32 32 VAL CA C 32 64.568 64.583 -0.015 1
1 357 . 8 1 1 A 32 32 VAL CB C 32 31.689 31.371 0.318 1
1 360 . 8 1 1 A 32 32 VAL N N 32 114.507 115.316 -0.809 1
1 361 . 8 1 1 A 33 33 CYS H H 33 6.770 7.642 -0.872 1
1 362 . 8 1 1 A 33 33 CYS HA H 33 4.139 4.298 -0.159 1
1 365 . 8 1 1 A 33 33 CYS C C 33 177.175 175.489 1.686 1
1 366 . 8 1 1 A 33 33 CYS CA C 33 62.799 61.171 1.628 1
1 367 . 8 1 1 A 33 33 CYS CB C 33 29.256 27.721 1.535 1
1 368 . 8 1 1 A 33 33 CYS N N 33 120.275 119.544 0.731 1
1 369 . 8 1 1 A 34 34 VAL H H 34 7.144 7.361 -0.217 1
1 370 . 8 1 1 A 34 34 VAL HA H 34 4.599 4.216 0.383 1
1 378 . 8 1 1 A 34 34 VAL C C 34 176.099 176.009 0.090 1
1 379 . 8 1 1 A 34 34 VAL CA C 34 60.218 62.031 -1.813 1
1 380 . 8 1 1 A 34 34 VAL CB C 34 31.918 31.994 -0.076 1
1 383 . 8 1 1 A 34 34 VAL N N 34 106.458 119.581 -13.123 1
1 384 . 8 1 1 A 35 35 GLY H H 35 7.519 7.836 -0.317 1
1 385 . 8 1 1 A 35 35 GLY HA2 H 35 3.897 3.934 -0.037 1
1 386 . 8 1 1 A 35 35 GLY HA3 H 35 3.954 3.953 0.001 1
1 387 . 8 1 1 A 35 35 GLY C C 35 174.669 174.527 0.142 1
1 388 . 8 1 1 A 35 35 GLY CA C 35 47.173 46.809 0.364 1
1 389 . 8 1 1 A 35 35 GLY N N 35 110.261 111.233 -0.972 1
1 390 . 8 1 1 A 36 36 VAL H H 36 7.556 8.330 -0.774 1
1 391 . 8 1 1 A 36 36 VAL HA H 36 4.480 4.338 0.142 1
1 399 . 8 1 1 A 36 36 VAL C C 36 174.103 174.626 -0.523 1
1 400 . 8 1 1 A 36 36 VAL CA C 36 60.273 60.823 -0.550 1
1 401 . 8 1 1 A 36 36 VAL CB C 36 34.388 33.485 0.903 1
1 404 . 8 1 1 A 36 36 VAL N N 36 117.579 119.786 -2.207 1
1 405 . 8 1 1 A 37 37 SER H H 37 8.097 8.620 -0.523 1
1 406 . 8 1 1 A 37 37 SER HA H 37 4.846 4.934 -0.088 1
1 409 . 8 1 1 A 37 37 SER CA C 37 55.675 55.342 0.333 1
1 410 . 8 1 1 A 37 37 SER CB C 37 63.614 64.662 -1.048 1
1 411 . 8 1 1 A 37 37 SER N N 37 122.439 120.894 1.545 1
1 412 . 8 1 1 A 38 38 PRO HA H 38 4.467 4.309 0.158 1
1 418 . 8 1 1 A 38 38 PRO C C 38 179.393 178.508 0.885 1
1 419 . 8 1 1 A 38 38 PRO CA C 38 65.685 65.711 -0.026 1
1 420 . 8 1 1 A 38 38 PRO CB C 38 32.027 31.663 0.364 1
1 423 . 8 1 1 A 39 39 GLU H H 39 8.536 8.486 0.050 1
1 424 . 8 1 1 A 39 39 GLU HA H 39 4.080 4.050 0.030 1
1 429 . 8 1 1 A 39 39 GLU C C 39 178.722 179.439 -0.717 1
1 430 . 8 1 1 A 39 39 GLU CA C 39 59.711 59.597 0.114 1
1 431 . 8 1 1 A 39 39 GLU CB C 39 28.947 29.018 -0.071 1
1 433 . 8 1 1 A 39 39 GLU N N 39 116.083 117.711 -1.628 1
1 434 . 8 1 1 A 40 40 MET H H 40 7.578 8.231 -0.653 1
1 435 . 8 1 1 A 40 40 MET HA H 40 4.224 4.185 0.039 1
1 439 . 8 1 1 A 40 40 MET C C 40 178.433 178.177 0.256 1
1 440 . 8 1 1 A 40 40 MET CA C 40 58.112 58.567 -0.455 1
1 441 . 8 1 1 A 40 40 MET CB C 40 33.685 33.081 0.604 1
1 443 . 8 1 1 A 40 40 MET N N 40 119.520 119.370 0.150 1
1 444 . 8 1 1 A 41 41 ALA H H 41 8.324 7.571 0.753 1
1 445 . 8 1 1 A 41 41 ALA HA H 41 3.975 4.170 -0.195 1
1 449 . 8 1 1 A 41 41 ALA C C 41 177.857 178.612 -0.755 1
1 450 . 8 1 1 A 41 41 ALA CA C 41 54.797 54.275 0.522 1
1 451 . 8 1 1 A 41 41 ALA CB C 41 18.982 18.317 0.665 1
1 452 . 8 1 1 A 41 41 ALA N N 41 121.259 121.317 -0.058 1
1 453 . 8 1 1 A 42 42 GLU H H 42 7.833 7.914 -0.081 1
1 454 . 8 1 1 A 42 42 GLU HA H 42 4.273 4.247 0.026 1
1 458 . 8 1 1 A 42 42 GLU C C 42 178.431 177.624 0.807 1
1 459 . 8 1 1 A 42 42 GLU CA C 42 58.268 58.098 0.170 1
1 460 . 8 1 1 A 42 42 GLU CB C 42 30.338 29.944 0.394 1
1 462 . 8 1 1 A 42 42 GLU N N 42 112.040 116.979 -4.939 1
1 463 . 8 1 1 A 43 43 ASN H H 43 7.688 7.799 -0.111 1
1 464 . 8 1 1 A 43 43 ASN HA H 43 4.764 4.788 -0.024 1
1 469 . 8 1 1 A 43 43 ASN C C 43 174.879 174.505 0.374 1
1 470 . 8 1 1 A 43 43 ASN CA C 43 54.854 54.810 0.044 1
1 471 . 8 1 1 A 43 43 ASN CB C 43 41.148 40.193 0.955 1
1 472 . 8 1 1 A 43 43 ASN N N 43 113.488 118.410 -4.922 1
1 474 . 8 1 1 A 44 44 GLU H H 44 7.861 7.845 0.016 1
1 475 . 8 1 1 A 44 44 GLU HA H 44 4.777 4.772 0.005 1
1 480 . 8 1 1 A 44 44 GLU C C 44 176.482 175.806 0.676 1
1 481 . 8 1 1 A 44 44 GLU CA C 44 54.576 54.680 -0.104 1
1 482 . 8 1 1 A 44 44 GLU CB C 44 32.781 34.036 -1.255 1
1 484 . 8 1 1 A 44 44 GLU N N 44 118.109 116.261 1.848 1
1 485 . 8 1 1 A 45 45 ASP H H 45 8.707 8.530 0.177 1
1 486 . 8 1 1 A 45 45 ASP HA H 45 4.755 4.714 0.041 1
1 488 . 8 1 1 A 45 45 ASP C C 45 176.643 175.185 1.458 1
1 489 . 8 1 1 A 45 45 ASP CA C 45 54.764 54.600 0.164 1
1 490 . 8 1 1 A 45 45 ASP CB C 45 40.807 40.742 0.065 1
1 491 . 8 1 1 A 45 45 ASP N N 45 123.334 122.220 1.114 1
1 492 . 8 1 1 A 46 46 TYR H H 46 9.868 8.603 1.265 1
1 493 . 8 1 1 A 46 46 TYR HA H 46 4.671 4.959 -0.288 1
1 498 . 8 1 1 A 46 46 TYR C C 46 172.045 174.207 -2.162 1
1 499 . 8 1 1 A 46 46 TYR CA C 46 58.409 56.999 1.410 1
1 500 . 8 1 1 A 46 46 TYR CB C 46 40.085 40.059 0.026 1
1 503 . 8 1 1 A 46 46 TYR N N 46 124.561 125.473 -0.912 1
1 504 . 8 1 1 A 47 47 ILE H H 47 7.520 8.695 -1.175 1
1 505 . 8 1 1 A 47 47 ILE HA H 47 4.344 4.409 -0.065 1
1 515 . 8 1 1 A 47 47 ILE C C 47 174.691 175.770 -1.079 1
1 516 . 8 1 1 A 47 47 ILE CA C 47 58.279 59.757 -1.478 1
1 517 . 8 1 1 A 47 47 ILE CB C 47 37.652 40.055 -2.403 1
1 521 . 8 1 1 A 47 47 ILE N N 47 128.737 127.824 0.913 1
1 522 . 8 1 1 A 48 48 CYS H H 48 9.142 8.429 0.713 1
1 523 . 8 1 1 A 48 48 CYS HA H 48 4.126 4.428 -0.302 1
1 526 . 8 1 1 A 48 48 CYS C C 48 175.153 176.304 -1.151 1
1 527 . 8 1 1 A 48 48 CYS CA C 48 58.302 57.760 0.542 1
1 528 . 8 1 1 A 48 48 CYS CB C 48 32.494 29.834 2.660 1
1 529 . 8 1 1 A 48 48 CYS N N 48 130.912 126.997 3.915 1
1 530 . 8 1 1 A 49 49 ILE H H 49 7.748 8.681 -0.933 1
1 531 . 8 1 1 A 49 49 ILE HA H 49 3.956 3.769 0.187 1
1 541 . 8 1 1 A 49 49 ILE C C 49 177.115 177.341 -0.226 1
1 542 . 8 1 1 A 49 49 ILE CA C 49 63.096 63.840 -0.744 1
1 543 . 8 1 1 A 49 49 ILE CB C 49 38.630 37.657 0.973 1
1 547 . 8 1 1 A 49 49 ILE N N 49 113.518 118.748 -5.230 1
1 548 . 8 1 1 A 50 50 ASN H H 50 8.859 8.285 0.574 1
1 549 . 8 1 1 A 50 50 ASN HA H 50 4.709 4.597 0.112 1
1 554 . 8 1 1 A 50 50 ASN C C 50 176.868 176.647 0.221 1
1 555 . 8 1 1 A 50 50 ASN CA C 50 55.433 55.753 -0.320 1
1 556 . 8 1 1 A 50 50 ASN CB C 50 39.690 38.751 0.939 1
1 557 . 8 1 1 A 50 50 ASN N N 50 121.721 119.616 2.105 1
1 559 . 8 1 1 A 51 51 CYS H H 51 8.213 7.508 0.705 1
1 560 . 8 1 1 A 51 51 CYS HA H 51 4.113 4.646 -0.533 1
1 563 . 8 1 1 A 51 51 CYS C C 51 174.832 174.496 0.336 1
1 564 . 8 1 1 A 51 51 CYS CA C 51 62.048 58.239 3.809 1
1 565 . 8 1 1 A 51 51 CYS CB C 51 31.516 28.262 3.254 1
1 566 . 8 1 1 A 51 51 CYS N N 51 123.810 115.115 8.695 1
1 3 . 9 1 1 A 2 2 VAL H H 2 8.368 8.916 -0.548 1
1 4 . 9 1 1 A 2 2 VAL HA H 2 5.250 4.672 0.578 1
1 12 . 9 1 1 A 2 2 VAL C C 2 176.070 175.615 0.455 1
1 13 . 9 1 1 A 2 2 VAL CA C 2 60.705 61.432 -0.727 1
1 14 . 9 1 1 A 2 2 VAL CB C 2 34.398 33.939 0.459 1
1 17 . 9 1 1 A 2 2 VAL N N 2 119.964 123.626 -3.662 1
1 18 . 9 1 1 A 3 3 CYS H H 3 9.183 9.026 0.157 1
1 19 . 9 1 1 A 3 3 CYS HA H 3 5.172 5.272 -0.100 1
1 22 . 9 1 1 A 3 3 CYS C C 3 173.772 174.467 -0.695 1
1 23 . 9 1 1 A 3 3 CYS CA C 3 56.558 56.584 -0.026 1
1 24 . 9 1 1 A 3 3 CYS CB C 3 32.206 30.231 1.975 1
1 25 . 9 1 1 A 3 3 CYS N N 3 128.120 124.182 3.938 1
1 26 . 9 1 1 A 4 4 ALA H H 4 7.110 8.700 -1.590 1
1 27 . 9 1 1 A 4 4 ALA HA H 4 4.234 4.669 -0.435 1
1 31 . 9 1 1 A 4 4 ALA C C 4 177.661 176.223 1.438 1
1 32 . 9 1 1 A 4 4 ALA CA C 4 52.987 51.292 1.695 1
1 33 . 9 1 1 A 4 4 ALA CB C 4 19.004 17.849 1.155 1
1 34 . 9 1 1 A 4 4 ALA N N 4 117.697 123.612 -5.915 1
1 35 . 9 1 1 A 5 5 ALA H H 5 9.154 7.365 1.789 1
1 36 . 9 1 1 A 5 5 ALA HA H 5 4.565 4.696 -0.131 1
1 40 . 9 1 1 A 5 5 ALA C C 5 177.851 177.754 0.097 1
1 41 . 9 1 1 A 5 5 ALA CA C 5 53.029 50.646 2.383 1
1 42 . 9 1 1 A 5 5 ALA CB C 5 19.533 20.669 -1.136 1
1 43 . 9 1 1 A 5 5 ALA N N 5 125.563 122.842 2.721 1
1 44 . 9 1 1 A 6 6 GLN H H 6 8.946 8.906 0.040 1
1 45 . 9 1 1 A 6 6 GLN HA H 6 4.098 3.996 0.102 1
1 52 . 9 1 1 A 6 6 GLN C C 6 176.708 176.465 0.243 1
1 53 . 9 1 1 A 6 6 GLN CA C 6 58.555 59.393 -0.838 1
1 54 . 9 1 1 A 6 6 GLN CB C 6 28.397 29.047 -0.650 1
1 56 . 9 1 1 A 6 6 GLN N N 6 122.944 122.106 0.838 1
1 58 . 9 1 1 A 7 7 ASN H H 7 8.399 7.925 0.474 1
1 59 . 9 1 1 A 7 7 ASN HA H 7 4.848 4.956 -0.108 1
1 64 . 9 1 1 A 7 7 ASN C C 7 173.923 173.621 0.302 1
1 65 . 9 1 1 A 7 7 ASN CA C 7 51.808 51.574 0.234 1
1 66 . 9 1 1 A 7 7 ASN CB C 7 37.850 38.575 -0.725 1
1 67 . 9 1 1 A 7 7 ASN N N 7 115.700 116.879 -1.179 1
1 69 . 9 1 1 A 8 8 CYS H H 8 7.655 8.803 -1.148 1
1 70 . 9 1 1 A 8 8 CYS HA H 8 4.947 5.132 -0.185 1
1 73 . 9 1 1 A 8 8 CYS C C 8 177.267 173.757 3.510 1
1 74 . 9 1 1 A 8 8 CYS CA C 8 59.479 57.579 1.900 1
1 75 . 9 1 1 A 8 8 CYS CB C 8 29.085 30.000 -0.915 1
1 76 . 9 1 1 A 8 8 CYS N N 8 122.410 123.641 -1.231 1
1 77 . 9 1 1 A 9 9 GLN H H 9 9.901 8.606 1.295 1
1 78 . 9 1 1 A 9 9 GLN HA H 9 4.193 4.891 -0.698 1
1 85 . 9 1 1 A 9 9 GLN C C 9 175.088 174.101 0.987 1
1 86 . 9 1 1 A 9 9 GLN CA C 9 56.730 54.754 1.976 1
1 87 . 9 1 1 A 9 9 GLN CB C 9 28.833 31.893 -3.060 1
1 89 . 9 1 1 A 9 9 GLN N N 9 133.116 124.343 8.773 1
1 91 . 9 1 1 A 10 10 ARG H H 10 10.013 8.665 1.348 1
1 92 . 9 1 1 A 10 10 ARG HA H 10 4.138 4.684 -0.546 1
1 98 . 9 1 1 A 10 10 ARG CA C 10 55.426 52.509 2.917 1
1 99 . 9 1 1 A 10 10 ARG CB C 10 28.647 31.350 -2.703 1
1 102 . 9 1 1 A 10 10 ARG N N 10 121.692 123.886 -2.194 1
1 103 . 9 1 1 A 11 11 PRO HA H 11 4.178 4.260 -0.082 1
1 110 . 9 1 1 A 11 11 PRO C C 11 177.355 177.252 0.103 1
1 111 . 9 1 1 A 11 11 PRO CA C 11 63.005 65.330 -2.325 1
1 112 . 9 1 1 A 11 11 PRO CB C 11 31.662 31.430 0.232 1
1 115 . 9 1 1 A 12 12 CYS H H 12 8.662 7.946 0.716 1
1 116 . 9 1 1 A 12 12 CYS HA H 12 4.629 4.175 0.454 1
1 119 . 9 1 1 A 12 12 CYS C C 12 173.972 174.056 -0.084 1
1 120 . 9 1 1 A 12 12 CYS CA C 12 58.103 60.285 -2.182 1
1 121 . 9 1 1 A 12 12 CYS CB C 12 27.951 26.306 1.645 1
1 122 . 9 1 1 A 12 12 CYS N N 12 120.690 115.033 5.657 1
1 123 . 9 1 1 A 13 13 LYS H H 13 7.138 7.927 -0.789 1
1 124 . 9 1 1 A 13 13 LYS HA H 13 4.406 4.437 -0.031 1
1 131 . 9 1 1 A 13 13 LYS C C 13 174.846 177.354 -2.508 1
1 132 . 9 1 1 A 13 13 LYS CA C 13 55.401 55.025 0.376 1
1 133 . 9 1 1 A 13 13 LYS CB C 13 34.650 33.889 0.761 1
1 137 . 9 1 1 A 13 13 LYS N N 13 121.573 119.333 2.240 1
1 138 . 9 1 1 A 14 14 ASP H H 14 8.395 8.628 -0.233 1
1 139 . 9 1 1 A 14 14 ASP HA H 14 4.301 4.505 -0.204 1
1 142 . 9 1 1 A 14 14 ASP C C 14 176.114 176.886 -0.772 1
1 143 . 9 1 1 A 14 14 ASP CA C 14 57.107 56.751 0.356 1
1 144 . 9 1 1 A 14 14 ASP CB C 14 40.801 40.828 -0.027 1
1 145 . 9 1 1 A 14 14 ASP N N 14 118.919 120.978 -2.059 1
1 146 . 9 1 1 A 15 15 LYS H H 15 7.593 7.893 -0.300 1
1 147 . 9 1 1 A 15 15 LYS HA H 15 4.818 4.457 0.361 1
1 155 . 9 1 1 A 15 15 LYS C C 15 175.145 175.351 -0.206 1
1 156 . 9 1 1 A 15 15 LYS CA C 15 55.491 55.586 -0.095 1
1 157 . 9 1 1 A 15 15 LYS CB C 15 34.485 31.475 3.010 1
1 161 . 9 1 1 A 15 15 LYS N N 15 117.259 118.388 -1.129 1
1 162 . 9 1 1 A 16 16 VAL H H 16 8.811 8.586 0.225 1
1 163 . 9 1 1 A 16 16 VAL HA H 16 4.083 5.013 -0.930 1
1 171 . 9 1 1 A 16 16 VAL C C 16 174.356 174.428 -0.072 1
1 172 . 9 1 1 A 16 16 VAL CA C 16 61.679 60.308 1.371 1
1 173 . 9 1 1 A 16 16 VAL CB C 16 34.315 34.455 -0.140 1
1 176 . 9 1 1 A 16 16 VAL N N 16 123.375 118.962 4.413 1
1 177 . 9 1 1 A 17 17 ASP H H 17 7.938 8.828 -0.890 1
1 178 . 9 1 1 A 17 17 ASP HA H 17 5.639 5.597 0.042 1
1 181 . 9 1 1 A 17 17 ASP C C 17 177.550 175.143 2.407 1
1 182 . 9 1 1 A 17 17 ASP CA C 17 54.991 52.888 2.103 1
1 183 . 9 1 1 A 17 17 ASP CB C 17 43.020 43.972 -0.952 1
1 184 . 9 1 1 A 17 17 ASP N N 17 124.698 125.111 -0.413 1
1 185 . 9 1 1 A 18 18 TRP H H 18 9.636 9.161 0.475 1
1 186 . 9 1 1 A 18 18 TRP HA H 18 5.793 5.914 -0.121 1
1 195 . 9 1 1 A 18 18 TRP C C 18 176.051 175.518 0.533 1
1 196 . 9 1 1 A 18 18 TRP CA C 18 56.881 55.968 0.913 1
1 197 . 9 1 1 A 18 18 TRP CB C 18 34.097 33.959 0.138 1
1 203 . 9 1 1 A 18 18 TRP N N 18 123.330 120.791 2.539 1
1 205 . 9 1 1 A 19 19 VAL H H 19 10.592 9.276 1.316 1
1 206 . 9 1 1 A 19 19 VAL HA H 19 5.409 5.031 0.378 1
1 214 . 9 1 1 A 19 19 VAL C C 19 170.168 173.942 -3.774 1
1 215 . 9 1 1 A 19 19 VAL CA C 19 60.297 60.725 -0.428 1
1 216 . 9 1 1 A 19 19 VAL CB C 19 36.269 36.106 0.163 1
1 219 . 9 1 1 A 19 19 VAL N N 19 122.558 121.028 1.530 1
1 220 . 9 1 1 A 20 20 GLN H H 20 8.359 8.825 -0.466 1
1 221 . 9 1 1 A 20 20 GLN HA H 20 4.728 4.506 0.222 1
1 228 . 9 1 1 A 20 20 GLN C C 20 176.280 175.221 1.059 1
1 229 . 9 1 1 A 20 20 GLN CA C 20 53.251 53.435 -0.184 1
1 230 . 9 1 1 A 20 20 GLN CB C 20 28.640 31.514 -2.874 1
1 232 . 9 1 1 A 20 20 GLN N N 20 132.425 125.980 6.445 1
1 234 . 9 1 1 A 21 21 CYS H H 21 8.618 8.222 0.396 1
1 235 . 9 1 1 A 21 21 CYS HA H 21 4.601 4.888 -0.287 1
1 238 . 9 1 1 A 21 21 CYS C C 21 177.580 175.230 2.350 1
1 239 . 9 1 1 A 21 21 CYS CA C 21 61.339 59.750 1.589 1
1 240 . 9 1 1 A 21 21 CYS CB C 21 32.597 27.981 4.616 1
1 241 . 9 1 1 A 21 21 CYS N N 21 128.017 124.693 3.324 1
1 242 . 9 1 1 A 22 22 ASP H H 22 10.211 9.497 0.714 1
1 243 . 9 1 1 A 22 22 ASP HA H 22 4.926 4.866 0.060 1
1 246 . 9 1 1 A 22 22 ASP C C 22 177.366 176.781 0.585 1
1 247 . 9 1 1 A 22 22 ASP CA C 22 56.782 54.098 2.684 1
1 248 . 9 1 1 A 22 22 ASP CB C 22 43.715 41.543 2.172 1
1 249 . 9 1 1 A 22 22 ASP N N 22 128.881 125.863 3.018 1
1 250 . 9 1 1 A 23 23 GLY H H 23 11.136 7.928 3.208 1
1 251 . 9 1 1 A 23 23 GLY HA2 H 23 3.556 3.960 -0.404 1
1 252 . 9 1 1 A 23 23 GLY HA3 H 23 4.026 3.970 0.056 1
1 253 . 9 1 1 A 23 23 GLY C C 23 173.584 174.672 -1.088 1
1 254 . 9 1 1 A 23 23 GLY CA C 23 45.651 45.303 0.348 1
1 255 . 9 1 1 A 23 23 GLY N N 23 117.638 107.716 9.922 1
1 256 . 9 1 1 A 24 24 GLY H H 24 8.906 7.717 1.189 1
1 257 . 9 1 1 A 24 24 GLY HA2 H 24 3.451 3.973 -0.522 1
1 258 . 9 1 1 A 24 24 GLY HA3 H 24 4.722 3.978 0.744 1
1 259 . 9 1 1 A 24 24 GLY C C 24 175.467 174.925 0.542 1
1 260 . 9 1 1 A 24 24 GLY CA C 24 45.165 45.287 -0.122 1
1 261 . 9 1 1 A 24 24 GLY N N 24 109.634 107.312 2.322 1
1 262 . 9 1 1 A 25 25 CYS H H 25 7.599 7.935 -0.336 1
1 263 . 9 1 1 A 25 25 CYS HA H 25 4.450 4.281 0.169 1
1 266 . 9 1 1 A 25 25 CYS C C 25 175.747 174.641 1.106 1
1 267 . 9 1 1 A 25 25 CYS CA C 25 60.192 60.308 -0.116 1
1 268 . 9 1 1 A 25 25 CYS CB C 25 30.266 28.344 1.922 1
1 269 . 9 1 1 A 25 25 CYS N N 25 119.707 120.177 -0.470 1
1 270 . 9 1 1 A 26 26 ASP H H 26 8.156 7.982 0.174 1
1 271 . 9 1 1 A 26 26 ASP HA H 26 4.364 4.056 0.308 1
1 274 . 9 1 1 A 26 26 ASP C C 26 175.426 174.560 0.866 1
1 275 . 9 1 1 A 26 26 ASP CA C 26 56.106 55.408 0.698 1
1 276 . 9 1 1 A 26 26 ASP CB C 26 40.889 39.276 1.613 1
1 277 . 9 1 1 A 26 26 ASP N N 26 118.432 117.820 0.612 1
1 278 . 9 1 1 A 27 27 GLU H H 27 9.181 7.775 1.406 1
1 279 . 9 1 1 A 27 27 GLU HA H 27 4.379 4.644 -0.265 1
1 284 . 9 1 1 A 27 27 GLU C C 27 175.329 175.743 -0.414 1
1 285 . 9 1 1 A 27 27 GLU CA C 27 58.179 54.574 3.605 1
1 286 . 9 1 1 A 27 27 GLU CB C 27 30.604 31.524 -0.920 1
1 288 . 9 1 1 A 27 27 GLU N N 27 122.798 117.064 5.734 1
1 289 . 9 1 1 A 28 28 TRP H H 28 8.472 8.914 -0.442 1
1 290 . 9 1 1 A 28 28 TRP HA H 28 4.934 5.212 -0.278 1
1 299 . 9 1 1 A 28 28 TRP C C 28 175.838 176.197 -0.359 1
1 300 . 9 1 1 A 28 28 TRP CA C 28 57.313 55.763 1.550 1
1 301 . 9 1 1 A 28 28 TRP CB C 28 31.956 30.982 0.974 1
1 307 . 9 1 1 A 28 28 TRP N N 28 117.567 121.576 -4.009 1
1 309 . 9 1 1 A 29 29 PHE H H 29 9.792 9.233 0.559 1
1 310 . 9 1 1 A 29 29 PHE HA H 29 4.865 5.287 -0.422 1
1 316 . 9 1 1 A 29 29 PHE C C 29 176.573 173.938 2.635 1
1 317 . 9 1 1 A 29 29 PHE CA C 29 56.788 55.669 1.119 1
1 318 . 9 1 1 A 29 29 PHE CB C 29 42.755 42.462 0.293 1
1 322 . 9 1 1 A 29 29 PHE N N 29 120.754 119.982 0.772 1
1 323 . 9 1 1 A 30 30 HIS H H 30 9.889 8.552 1.337 1
1 324 . 9 1 1 A 30 30 HIS HA H 30 4.383 4.986 -0.603 1
1 328 . 9 1 1 A 30 30 HIS C C 30 177.229 176.078 1.151 1
1 329 . 9 1 1 A 30 30 HIS CA C 30 57.127 54.977 2.150 1
1 330 . 9 1 1 A 30 30 HIS CB C 30 29.589 31.897 -2.308 1
1 332 . 9 1 1 A 30 30 HIS N N 30 124.925 117.944 6.981 1
1 333 . 9 1 1 A 31 31 GLN H H 31 8.636 9.064 -0.428 1
1 334 . 9 1 1 A 31 31 GLN HA H 31 3.563 3.853 -0.290 1
1 341 . 9 1 1 A 31 31 GLN C C 31 178.836 178.031 0.805 1
1 342 . 9 1 1 A 31 31 GLN CA C 31 60.702 59.748 0.954 1
1 343 . 9 1 1 A 31 31 GLN CB C 31 26.688 28.383 -1.695 1
1 345 . 9 1 1 A 31 31 GLN N N 31 124.356 122.931 1.425 1
1 347 . 9 1 1 A 32 32 VAL H H 32 8.975 7.923 1.052 1
1 348 . 9 1 1 A 32 32 VAL HA H 32 4.096 3.875 0.221 1
1 356 . 9 1 1 A 32 32 VAL CA C 32 64.568 64.567 0.001 1
1 357 . 9 1 1 A 32 32 VAL CB C 32 31.689 31.535 0.154 1
1 360 . 9 1 1 A 32 32 VAL N N 32 114.507 115.287 -0.780 1
1 361 . 9 1 1 A 33 33 CYS H H 33 6.770 7.725 -0.955 1
1 362 . 9 1 1 A 33 33 CYS HA H 33 4.139 4.289 -0.150 1
1 365 . 9 1 1 A 33 33 CYS C C 33 177.175 175.504 1.671 1
1 366 . 9 1 1 A 33 33 CYS CA C 33 62.799 61.067 1.732 1
1 367 . 9 1 1 A 33 33 CYS CB C 33 29.256 27.853 1.403 1
1 368 . 9 1 1 A 33 33 CYS N N 33 120.275 119.952 0.323 1
1 369 . 9 1 1 A 34 34 VAL H H 34 7.144 7.522 -0.378 1
1 370 . 9 1 1 A 34 34 VAL HA H 34 4.599 4.259 0.340 1
1 378 . 9 1 1 A 34 34 VAL C C 34 176.099 175.901 0.198 1
1 379 . 9 1 1 A 34 34 VAL CA C 34 60.218 61.835 -1.617 1
1 380 . 9 1 1 A 34 34 VAL CB C 34 31.918 31.846 0.072 1
1 383 . 9 1 1 A 34 34 VAL N N 34 106.458 119.613 -13.155 1
1 384 . 9 1 1 A 35 35 GLY H H 35 7.519 7.903 -0.384 1
1 385 . 9 1 1 A 35 35 GLY HA2 H 35 3.897 3.927 -0.030 1
1 386 . 9 1 1 A 35 35 GLY HA3 H 35 3.954 3.942 0.012 1
1 387 . 9 1 1 A 35 35 GLY C C 35 174.669 174.633 0.036 1
1 388 . 9 1 1 A 35 35 GLY CA C 35 47.173 46.870 0.303 1
1 389 . 9 1 1 A 35 35 GLY N N 35 110.261 111.318 -1.057 1
1 390 . 9 1 1 A 36 36 VAL H H 36 7.556 8.376 -0.820 1
1 391 . 9 1 1 A 36 36 VAL HA H 36 4.480 4.112 0.368 1
1 399 . 9 1 1 A 36 36 VAL C C 36 174.103 174.919 -0.816 1
1 400 . 9 1 1 A 36 36 VAL CA C 36 60.273 61.271 -0.998 1
1 401 . 9 1 1 A 36 36 VAL CB C 36 34.388 32.925 1.463 1
1 404 . 9 1 1 A 36 36 VAL N N 36 117.579 120.008 -2.429 1
1 405 . 9 1 1 A 37 37 SER H H 37 8.097 8.537 -0.440 1
1 406 . 9 1 1 A 37 37 SER HA H 37 4.846 4.961 -0.115 1
1 409 . 9 1 1 A 37 37 SER CA C 37 55.675 55.444 0.231 1
1 410 . 9 1 1 A 37 37 SER CB C 37 63.614 64.547 -0.933 1
1 411 . 9 1 1 A 37 37 SER N N 37 122.439 121.200 1.239 1
1 412 . 9 1 1 A 38 38 PRO HA H 38 4.467 4.262 0.205 1
1 418 . 9 1 1 A 38 38 PRO C C 38 179.393 178.605 0.788 1
1 419 . 9 1 1 A 38 38 PRO CA C 38 65.685 65.634 0.051 1
1 420 . 9 1 1 A 38 38 PRO CB C 38 32.027 31.843 0.184 1
1 423 . 9 1 1 A 39 39 GLU H H 39 8.536 8.395 0.141 1
1 424 . 9 1 1 A 39 39 GLU HA H 39 4.080 4.045 0.035 1
1 429 . 9 1 1 A 39 39 GLU C C 39 178.722 179.428 -0.706 1
1 430 . 9 1 1 A 39 39 GLU CA C 39 59.711 59.716 -0.005 1
1 431 . 9 1 1 A 39 39 GLU CB C 39 28.947 29.119 -0.172 1
1 433 . 9 1 1 A 39 39 GLU N N 39 116.083 117.467 -1.384 1
1 434 . 9 1 1 A 40 40 MET H H 40 7.578 8.325 -0.747 1
1 435 . 9 1 1 A 40 40 MET HA H 40 4.224 4.204 0.020 1
1 439 . 9 1 1 A 40 40 MET C C 40 178.433 178.023 0.410 1
1 440 . 9 1 1 A 40 40 MET CA C 40 58.112 58.556 -0.444 1
1 441 . 9 1 1 A 40 40 MET CB C 40 33.685 33.037 0.648 1
1 443 . 9 1 1 A 40 40 MET N N 40 119.520 119.044 0.476 1
1 444 . 9 1 1 A 41 41 ALA H H 41 8.324 7.539 0.785 1
1 445 . 9 1 1 A 41 41 ALA HA H 41 3.975 4.090 -0.115 1
1 449 . 9 1 1 A 41 41 ALA C C 41 177.857 178.856 -0.999 1
1 450 . 9 1 1 A 41 41 ALA CA C 41 54.797 55.218 -0.421 1
1 451 . 9 1 1 A 41 41 ALA CB C 41 18.982 18.236 0.746 1
1 452 . 9 1 1 A 41 41 ALA N N 41 121.259 121.229 0.030 1
1 453 . 9 1 1 A 42 42 GLU H H 42 7.833 7.817 0.016 1
1 454 . 9 1 1 A 42 42 GLU HA H 42 4.273 4.219 0.054 1
1 458 . 9 1 1 A 42 42 GLU C C 42 178.431 177.956 0.475 1
1 459 . 9 1 1 A 42 42 GLU CA C 42 58.268 58.703 -0.435 1
1 460 . 9 1 1 A 42 42 GLU CB C 42 30.338 29.656 0.682 1
1 462 . 9 1 1 A 42 42 GLU N N 42 112.040 117.979 -5.939 1
1 463 . 9 1 1 A 43 43 ASN H H 43 7.688 7.600 0.088 1
1 464 . 9 1 1 A 43 43 ASN HA H 43 4.764 4.744 0.020 1
1 469 . 9 1 1 A 43 43 ASN C C 43 174.879 175.319 -0.440 1
1 470 . 9 1 1 A 43 43 ASN CA C 43 54.854 54.777 0.077 1
1 471 . 9 1 1 A 43 43 ASN CB C 43 41.148 40.096 1.052 1
1 472 . 9 1 1 A 43 43 ASN N N 43 113.488 116.392 -2.904 1
1 474 . 9 1 1 A 44 44 GLU H H 44 7.861 8.019 -0.158 1
1 475 . 9 1 1 A 44 44 GLU HA H 44 4.777 4.792 -0.015 1
1 480 . 9 1 1 A 44 44 GLU C C 44 176.482 175.835 0.647 1
1 481 . 9 1 1 A 44 44 GLU CA C 44 54.576 54.847 -0.271 1
1 482 . 9 1 1 A 44 44 GLU CB C 44 32.781 34.303 -1.522 1
1 484 . 9 1 1 A 44 44 GLU N N 44 118.109 117.212 0.897 1
1 485 . 9 1 1 A 45 45 ASP H H 45 8.707 8.628 0.079 1
1 486 . 9 1 1 A 45 45 ASP HA H 45 4.755 4.752 0.003 1
1 488 . 9 1 1 A 45 45 ASP C C 45 176.643 175.098 1.545 1
1 489 . 9 1 1 A 45 45 ASP CA C 45 54.764 54.268 0.496 1
1 490 . 9 1 1 A 45 45 ASP CB C 45 40.807 40.956 -0.149 1
1 491 . 9 1 1 A 45 45 ASP N N 45 123.334 121.296 2.038 1
1 492 . 9 1 1 A 46 46 TYR H H 46 9.868 8.528 1.340 1
1 493 . 9 1 1 A 46 46 TYR HA H 46 4.671 5.330 -0.659 1
1 498 . 9 1 1 A 46 46 TYR C C 46 172.045 174.153 -2.108 1
1 499 . 9 1 1 A 46 46 TYR CA C 46 58.409 56.355 2.054 1
1 500 . 9 1 1 A 46 46 TYR CB C 46 40.085 41.880 -1.795 1
1 503 . 9 1 1 A 46 46 TYR N N 46 124.561 125.221 -0.660 1
1 504 . 9 1 1 A 47 47 ILE H H 47 7.520 8.509 -0.989 1
1 505 . 9 1 1 A 47 47 ILE HA H 47 4.344 4.503 -0.159 1
1 515 . 9 1 1 A 47 47 ILE C C 47 174.691 175.525 -0.834 1
1 516 . 9 1 1 A 47 47 ILE CA C 47 58.279 59.612 -1.333 1
1 517 . 9 1 1 A 47 47 ILE CB C 47 37.652 40.458 -2.806 1
1 521 . 9 1 1 A 47 47 ILE N N 47 128.737 126.987 1.750 1
1 522 . 9 1 1 A 48 48 CYS H H 48 9.142 8.485 0.657 1
1 523 . 9 1 1 A 48 48 CYS HA H 48 4.126 4.318 -0.192 1
1 526 . 9 1 1 A 48 48 CYS C C 48 175.153 176.188 -1.035 1
1 527 . 9 1 1 A 48 48 CYS CA C 48 58.302 57.587 0.715 1
1 528 . 9 1 1 A 48 48 CYS CB C 48 32.494 29.738 2.756 1
1 529 . 9 1 1 A 48 48 CYS N N 48 130.912 126.512 4.400 1
1 530 . 9 1 1 A 49 49 ILE H H 49 7.748 8.677 -0.929 1
1 531 . 9 1 1 A 49 49 ILE HA H 49 3.956 3.764 0.192 1
1 541 . 9 1 1 A 49 49 ILE C C 49 177.115 177.581 -0.466 1
1 542 . 9 1 1 A 49 49 ILE CA C 49 63.096 63.658 -0.562 1
1 543 . 9 1 1 A 49 49 ILE CB C 49 38.630 37.638 0.992 1
1 547 . 9 1 1 A 49 49 ILE N N 49 113.518 118.840 -5.322 1
1 548 . 9 1 1 A 50 50 ASN H H 50 8.859 8.283 0.576 1
1 549 . 9 1 1 A 50 50 ASN HA H 50 4.709 4.493 0.216 1
1 554 . 9 1 1 A 50 50 ASN C C 50 176.868 176.913 -0.045 1
1 555 . 9 1 1 A 50 50 ASN CA C 50 55.433 55.974 -0.541 1
1 556 . 9 1 1 A 50 50 ASN CB C 50 39.690 38.273 1.417 1
1 557 . 9 1 1 A 50 50 ASN N N 50 121.721 119.338 2.383 1
1 559 . 9 1 1 A 51 51 CYS H H 51 8.213 7.546 0.667 1
1 560 . 9 1 1 A 51 51 CYS HA H 51 4.113 4.513 -0.400 1
1 563 . 9 1 1 A 51 51 CYS C C 51 174.832 174.696 0.136 1
1 564 . 9 1 1 A 51 51 CYS CA C 51 62.048 58.383 3.665 1
1 565 . 9 1 1 A 51 51 CYS CB C 51 31.516 27.412 4.104 1
1 566 . 9 1 1 A 51 51 CYS N N 51 123.810 115.447 8.363 1
1 3 . 10 1 1 A 2 2 VAL H H 2 8.368 7.988 0.380 1
1 4 . 10 1 1 A 2 2 VAL HA H 2 5.250 4.516 0.734 1
1 12 . 10 1 1 A 2 2 VAL C C 2 176.070 174.739 1.331 1
1 13 . 10 1 1 A 2 2 VAL CA C 2 60.705 61.291 -0.586 1
1 14 . 10 1 1 A 2 2 VAL CB C 2 34.398 33.723 0.675 1
1 17 . 10 1 1 A 2 2 VAL N N 2 119.964 119.447 0.517 1
1 18 . 10 1 1 A 3 3 CYS H H 3 9.183 9.353 -0.170 1
1 19 . 10 1 1 A 3 3 CYS HA H 3 5.172 5.137 0.035 1
1 22 . 10 1 1 A 3 3 CYS C C 3 173.772 173.948 -0.176 1
1 23 . 10 1 1 A 3 3 CYS CA C 3 56.558 56.217 0.341 1
1 24 . 10 1 1 A 3 3 CYS CB C 3 32.206 30.822 1.384 1
1 25 . 10 1 1 A 3 3 CYS N N 3 128.120 124.743 3.377 1
1 26 . 10 1 1 A 4 4 ALA H H 4 7.110 9.010 -1.900 1
1 27 . 10 1 1 A 4 4 ALA HA H 4 4.234 4.683 -0.449 1
1 31 . 10 1 1 A 4 4 ALA C C 4 177.661 176.207 1.454 1
1 32 . 10 1 1 A 4 4 ALA CA C 4 52.987 51.171 1.816 1
1 33 . 10 1 1 A 4 4 ALA CB C 4 19.004 18.036 0.968 1
1 34 . 10 1 1 A 4 4 ALA N N 4 117.697 123.605 -5.908 1
1 35 . 10 1 1 A 5 5 ALA H H 5 9.154 7.445 1.709 1
1 36 . 10 1 1 A 5 5 ALA HA H 5 4.565 4.672 -0.107 1
1 40 . 10 1 1 A 5 5 ALA C C 5 177.851 177.764 0.087 1
1 41 . 10 1 1 A 5 5 ALA CA C 5 53.029 50.712 2.317 1
1 42 . 10 1 1 A 5 5 ALA CB C 5 19.533 20.801 -1.268 1
1 43 . 10 1 1 A 5 5 ALA N N 5 125.563 122.799 2.764 1
1 44 . 10 1 1 A 6 6 GLN H H 6 8.946 8.723 0.223 1
1 45 . 10 1 1 A 6 6 GLN HA H 6 4.098 4.044 0.054 1
1 52 . 10 1 1 A 6 6 GLN C C 6 176.708 177.049 -0.341 1
1 53 . 10 1 1 A 6 6 GLN CA C 6 58.555 59.342 -0.787 1
1 54 . 10 1 1 A 6 6 GLN CB C 6 28.397 28.886 -0.489 1
1 56 . 10 1 1 A 6 6 GLN N N 6 122.944 121.782 1.162 1
1 58 . 10 1 1 A 7 7 ASN H H 7 8.399 7.737 0.662 1
1 59 . 10 1 1 A 7 7 ASN HA H 7 4.848 4.914 -0.066 1
1 64 . 10 1 1 A 7 7 ASN C C 7 173.923 173.939 -0.016 1
1 65 . 10 1 1 A 7 7 ASN CA C 7 51.808 51.846 -0.038 1
1 66 . 10 1 1 A 7 7 ASN CB C 7 37.850 37.751 0.099 1
1 67 . 10 1 1 A 7 7 ASN N N 7 115.700 116.662 -0.962 1
1 69 . 10 1 1 A 8 8 CYS H H 8 7.655 8.624 -0.969 1
1 70 . 10 1 1 A 8 8 CYS HA H 8 4.947 5.271 -0.324 1
1 73 . 10 1 1 A 8 8 CYS C C 8 177.267 173.773 3.494 1
1 74 . 10 1 1 A 8 8 CYS CA C 8 59.479 57.463 2.016 1
1 75 . 10 1 1 A 8 8 CYS CB C 8 29.085 30.319 -1.234 1
1 76 . 10 1 1 A 8 8 CYS N N 8 122.410 123.674 -1.264 1
1 77 . 10 1 1 A 9 9 GLN H H 9 9.901 8.718 1.183 1
1 78 . 10 1 1 A 9 9 GLN HA H 9 4.193 4.895 -0.702 1
1 85 . 10 1 1 A 9 9 GLN C C 9 175.088 174.787 0.301 1
1 86 . 10 1 1 A 9 9 GLN CA C 9 56.730 54.478 2.252 1
1 87 . 10 1 1 A 9 9 GLN CB C 9 28.833 31.548 -2.715 1
1 89 . 10 1 1 A 9 9 GLN N N 9 133.116 125.709 7.407 1
1 91 . 10 1 1 A 10 10 ARG H H 10 10.013 8.767 1.246 1
1 92 . 10 1 1 A 10 10 ARG HA H 10 4.138 4.642 -0.504 1
1 98 . 10 1 1 A 10 10 ARG CA C 10 55.426 52.478 2.948 1
1 99 . 10 1 1 A 10 10 ARG CB C 10 28.647 30.530 -1.883 1
1 102 . 10 1 1 A 10 10 ARG N N 10 121.692 123.411 -1.719 1
1 103 . 10 1 1 A 11 11 PRO HA H 11 4.178 4.218 -0.040 1
1 110 . 10 1 1 A 11 11 PRO C C 11 177.355 177.286 0.069 1
1 111 . 10 1 1 A 11 11 PRO CA C 11 63.005 65.680 -2.675 1
1 112 . 10 1 1 A 11 11 PRO CB C 11 31.662 31.435 0.227 1
1 115 . 10 1 1 A 12 12 CYS H H 12 8.662 7.927 0.735 1
1 116 . 10 1 1 A 12 12 CYS HA H 12 4.629 4.154 0.475 1
1 119 . 10 1 1 A 12 12 CYS C C 12 173.972 173.587 0.385 1
1 120 . 10 1 1 A 12 12 CYS CA C 12 58.103 60.419 -2.316 1
1 121 . 10 1 1 A 12 12 CYS CB C 12 27.951 26.525 1.426 1
1 122 . 10 1 1 A 12 12 CYS N N 12 120.690 114.935 5.755 1
1 123 . 10 1 1 A 13 13 LYS H H 13 7.138 7.818 -0.680 1
1 124 . 10 1 1 A 13 13 LYS HA H 13 4.406 4.300 0.106 1
1 131 . 10 1 1 A 13 13 LYS C C 13 174.846 177.023 -2.177 1
1 132 . 10 1 1 A 13 13 LYS CA C 13 55.401 55.486 -0.085 1
1 133 . 10 1 1 A 13 13 LYS CB C 13 34.650 33.819 0.831 1
1 137 . 10 1 1 A 13 13 LYS N N 13 121.573 121.737 -0.164 1
1 138 . 10 1 1 A 14 14 ASP H H 14 8.395 8.723 -0.328 1
1 139 . 10 1 1 A 14 14 ASP HA H 14 4.301 4.300 0.001 1
1 142 . 10 1 1 A 14 14 ASP C C 14 176.114 176.670 -0.556 1
1 143 . 10 1 1 A 14 14 ASP CA C 14 57.107 57.701 -0.594 1
1 144 . 10 1 1 A 14 14 ASP CB C 14 40.801 40.979 -0.178 1
1 145 . 10 1 1 A 14 14 ASP N N 14 118.919 122.561 -3.642 1
1 146 . 10 1 1 A 15 15 LYS H H 15 7.593 7.939 -0.346 1
1 147 . 10 1 1 A 15 15 LYS HA H 15 4.818 4.851 -0.033 1
1 155 . 10 1 1 A 15 15 LYS C C 15 175.145 175.696 -0.551 1
1 156 . 10 1 1 A 15 15 LYS CA C 15 55.491 55.207 0.284 1
1 157 . 10 1 1 A 15 15 LYS CB C 15 34.485 34.982 -0.497 1
1 161 . 10 1 1 A 15 15 LYS N N 15 117.259 117.906 -0.647 1
1 162 . 10 1 1 A 16 16 VAL H H 16 8.811 9.084 -0.273 1
1 163 . 10 1 1 A 16 16 VAL HA H 16 4.083 4.899 -0.816 1
1 171 . 10 1 1 A 16 16 VAL C C 16 174.356 173.868 0.488 1
1 172 . 10 1 1 A 16 16 VAL CA C 16 61.679 59.359 2.320 1
1 173 . 10 1 1 A 16 16 VAL CB C 16 34.315 35.614 -1.299 1
1 176 . 10 1 1 A 16 16 VAL N N 16 123.375 117.365 6.010 1
1 177 . 10 1 1 A 17 17 ASP H H 17 7.938 8.685 -0.747 1
1 178 . 10 1 1 A 17 17 ASP HA H 17 5.639 5.490 0.149 1
1 181 . 10 1 1 A 17 17 ASP C C 17 177.550 175.548 2.002 1
1 182 . 10 1 1 A 17 17 ASP CA C 17 54.991 53.102 1.889 1
1 183 . 10 1 1 A 17 17 ASP CB C 17 43.020 43.437 -0.417 1
1 184 . 10 1 1 A 17 17 ASP N N 17 124.698 122.391 2.307 1
1 185 . 10 1 1 A 18 18 TRP H H 18 9.636 9.220 0.416 1
1 186 . 10 1 1 A 18 18 TRP HA H 18 5.793 5.932 -0.139 1
1 195 . 10 1 1 A 18 18 TRP C C 18 176.051 175.381 0.670 1
1 196 . 10 1 1 A 18 18 TRP CA C 18 56.881 55.916 0.965 1
1 197 . 10 1 1 A 18 18 TRP CB C 18 34.097 34.154 -0.057 1
1 203 . 10 1 1 A 18 18 TRP N N 18 123.330 121.791 1.539 1
1 205 . 10 1 1 A 19 19 VAL H H 19 10.592 9.139 1.453 1
1 206 . 10 1 1 A 19 19 VAL HA H 19 5.409 4.934 0.475 1
1 214 . 10 1 1 A 19 19 VAL C C 19 170.168 173.743 -3.575 1
1 215 . 10 1 1 A 19 19 VAL CA C 19 60.297 60.595 -0.298 1
1 216 . 10 1 1 A 19 19 VAL CB C 19 36.269 36.163 0.106 1
1 219 . 10 1 1 A 19 19 VAL N N 19 122.558 120.561 1.997 1
1 220 . 10 1 1 A 20 20 GLN H H 20 8.359 8.708 -0.349 1
1 221 . 10 1 1 A 20 20 GLN HA H 20 4.728 4.243 0.485 1
1 228 . 10 1 1 A 20 20 GLN C C 20 176.280 174.977 1.303 1
1 229 . 10 1 1 A 20 20 GLN CA C 20 53.251 53.566 -0.315 1
1 230 . 10 1 1 A 20 20 GLN CB C 20 28.640 31.156 -2.516 1
1 232 . 10 1 1 A 20 20 GLN N N 20 132.425 125.084 7.341 1
1 234 . 10 1 1 A 21 21 CYS H H 21 8.618 8.392 0.226 1
1 235 . 10 1 1 A 21 21 CYS HA H 21 4.601 4.884 -0.283 1
1 238 . 10 1 1 A 21 21 CYS C C 21 177.580 175.270 2.310 1
1 239 . 10 1 1 A 21 21 CYS CA C 21 61.339 58.772 2.567 1
1 240 . 10 1 1 A 21 21 CYS CB C 21 32.597 28.593 4.004 1
1 241 . 10 1 1 A 21 21 CYS N N 21 128.017 124.656 3.361 1
1 242 . 10 1 1 A 22 22 ASP H H 22 10.211 9.220 0.991 1
1 243 . 10 1 1 A 22 22 ASP HA H 22 4.926 4.791 0.135 1
1 246 . 10 1 1 A 22 22 ASP C C 22 177.366 176.172 1.194 1
1 247 . 10 1 1 A 22 22 ASP CA C 22 56.782 54.245 2.537 1
1 248 . 10 1 1 A 22 22 ASP CB C 22 43.715 41.395 2.320 1
1 249 . 10 1 1 A 22 22 ASP N N 22 128.881 127.040 1.841 1
1 250 . 10 1 1 A 23 23 GLY H H 23 11.136 8.111 3.025 1
1 251 . 10 1 1 A 23 23 GLY HA2 H 23 3.556 4.070 -0.514 1
1 252 . 10 1 1 A 23 23 GLY HA3 H 23 4.026 4.079 -0.053 1
1 253 . 10 1 1 A 23 23 GLY C C 23 173.584 174.843 -1.259 1
1 254 . 10 1 1 A 23 23 GLY CA C 23 45.651 45.382 0.269 1
1 255 . 10 1 1 A 23 23 GLY N N 23 117.638 108.781 8.857 1
1 256 . 10 1 1 A 24 24 GLY H H 24 8.906 8.309 0.597 1
1 257 . 10 1 1 A 24 24 GLY HA2 H 24 3.451 3.772 -0.321 1
1 258 . 10 1 1 A 24 24 GLY HA3 H 24 4.722 3.773 0.949 1
1 259 . 10 1 1 A 24 24 GLY C C 24 175.467 176.050 -0.583 1
1 260 . 10 1 1 A 24 24 GLY CA C 24 45.165 46.901 -1.736 1
1 261 . 10 1 1 A 24 24 GLY N N 24 109.634 109.737 -0.103 1
1 262 . 10 1 1 A 25 25 CYS H H 25 7.599 7.685 -0.086 1
1 263 . 10 1 1 A 25 25 CYS HA H 25 4.450 4.324 0.126 1
1 266 . 10 1 1 A 25 25 CYS C C 25 175.747 174.369 1.378 1
1 267 . 10 1 1 A 25 25 CYS CA C 25 60.192 60.579 -0.387 1
1 268 . 10 1 1 A 25 25 CYS CB C 25 30.266 28.323 1.943 1
1 269 . 10 1 1 A 25 25 CYS N N 25 119.707 120.602 -0.895 1
1 270 . 10 1 1 A 26 26 ASP H H 26 8.156 8.017 0.139 1
1 271 . 10 1 1 A 26 26 ASP HA H 26 4.364 4.339 0.025 1
1 274 . 10 1 1 A 26 26 ASP C C 26 175.426 174.449 0.977 1
1 275 . 10 1 1 A 26 26 ASP CA C 26 56.106 55.275 0.831 1
1 276 . 10 1 1 A 26 26 ASP CB C 26 40.889 39.182 1.707 1
1 277 . 10 1 1 A 26 26 ASP N N 26 118.432 118.221 0.211 1
1 278 . 10 1 1 A 27 27 GLU H H 27 9.181 7.777 1.404 1
1 279 . 10 1 1 A 27 27 GLU HA H 27 4.379 4.916 -0.537 1
1 284 . 10 1 1 A 27 27 GLU C C 27 175.329 174.916 0.413 1
1 285 . 10 1 1 A 27 27 GLU CA C 27 58.179 54.666 3.513 1
1 286 . 10 1 1 A 27 27 GLU CB C 27 30.604 32.869 -2.265 1
1 288 . 10 1 1 A 27 27 GLU N N 27 122.798 116.541 6.257 1
1 289 . 10 1 1 A 28 28 TRP H H 28 8.472 8.964 -0.492 1
1 290 . 10 1 1 A 28 28 TRP HA H 28 4.934 5.411 -0.477 1
1 299 . 10 1 1 A 28 28 TRP C C 28 175.838 176.202 -0.364 1
1 300 . 10 1 1 A 28 28 TRP CA C 28 57.313 55.765 1.548 1
1 301 . 10 1 1 A 28 28 TRP CB C 28 31.956 30.833 1.123 1
1 307 . 10 1 1 A 28 28 TRP N N 28 117.567 120.072 -2.505 1
1 309 . 10 1 1 A 29 29 PHE H H 29 9.792 9.070 0.722 1
1 310 . 10 1 1 A 29 29 PHE HA H 29 4.865 5.387 -0.522 1
1 316 . 10 1 1 A 29 29 PHE C C 29 176.573 172.611 3.962 1
1 317 . 10 1 1 A 29 29 PHE CA C 29 56.788 55.471 1.317 1
1 318 . 10 1 1 A 29 29 PHE CB C 29 42.755 41.805 0.950 1
1 322 . 10 1 1 A 29 29 PHE N N 29 120.754 118.925 1.829 1
1 323 . 10 1 1 A 30 30 HIS H H 30 9.889 8.587 1.302 1
1 324 . 10 1 1 A 30 30 HIS HA H 30 4.383 5.066 -0.683 1
1 328 . 10 1 1 A 30 30 HIS C C 30 177.229 176.162 1.067 1
1 329 . 10 1 1 A 30 30 HIS CA C 30 57.127 55.010 2.117 1
1 330 . 10 1 1 A 30 30 HIS CB C 30 29.589 32.131 -2.542 1
1 332 . 10 1 1 A 30 30 HIS N N 30 124.925 117.216 7.709 1
1 333 . 10 1 1 A 31 31 GLN H H 31 8.636 9.090 -0.454 1
1 334 . 10 1 1 A 31 31 GLN HA H 31 3.563 3.863 -0.300 1
1 341 . 10 1 1 A 31 31 GLN C C 31 178.836 177.979 0.857 1
1 342 . 10 1 1 A 31 31 GLN CA C 31 60.702 59.766 0.936 1
1 343 . 10 1 1 A 31 31 GLN CB C 31 26.688 28.410 -1.722 1
1 345 . 10 1 1 A 31 31 GLN N N 31 124.356 122.954 1.402 1
1 347 . 10 1 1 A 32 32 VAL H H 32 8.975 7.948 1.027 1
1 348 . 10 1 1 A 32 32 VAL HA H 32 4.096 3.889 0.207 1
1 356 . 10 1 1 A 32 32 VAL CA C 32 64.568 64.600 -0.032 1
1 357 . 10 1 1 A 32 32 VAL CB C 32 31.689 31.519 0.170 1
1 360 . 10 1 1 A 32 32 VAL N N 32 114.507 115.549 -1.042 1
1 361 . 10 1 1 A 33 33 CYS H H 33 6.770 7.731 -0.961 1
1 362 . 10 1 1 A 33 33 CYS HA H 33 4.139 4.316 -0.177 1
1 365 . 10 1 1 A 33 33 CYS C C 33 177.175 175.513 1.662 1
1 366 . 10 1 1 A 33 33 CYS CA C 33 62.799 61.074 1.725 1
1 367 . 10 1 1 A 33 33 CYS CB C 33 29.256 27.800 1.456 1
1 368 . 10 1 1 A 33 33 CYS N N 33 120.275 119.976 0.299 1
1 369 . 10 1 1 A 34 34 VAL H H 34 7.144 7.553 -0.409 1
1 370 . 10 1 1 A 34 34 VAL HA H 34 4.599 4.268 0.331 1
1 378 . 10 1 1 A 34 34 VAL C C 34 176.099 176.005 0.094 1
1 379 . 10 1 1 A 34 34 VAL CA C 34 60.218 61.851 -1.633 1
1 380 . 10 1 1 A 34 34 VAL CB C 34 31.918 31.882 0.036 1
1 383 . 10 1 1 A 34 34 VAL N N 34 106.458 119.627 -13.169 1
1 384 . 10 1 1 A 35 35 GLY H H 35 7.519 7.921 -0.402 1
1 385 . 10 1 1 A 35 35 GLY HA2 H 35 3.897 3.939 -0.042 1
1 386 . 10 1 1 A 35 35 GLY HA3 H 35 3.954 3.951 0.003 1
1 387 . 10 1 1 A 35 35 GLY C C 35 174.669 174.650 0.019 1
1 388 . 10 1 1 A 35 35 GLY CA C 35 47.173 46.884 0.289 1
1 389 . 10 1 1 A 35 35 GLY N N 35 110.261 111.338 -1.077 1
1 390 . 10 1 1 A 36 36 VAL H H 36 7.556 8.456 -0.900 1
1 391 . 10 1 1 A 36 36 VAL HA H 36 4.480 4.229 0.251 1
1 399 . 10 1 1 A 36 36 VAL C C 36 174.103 174.961 -0.858 1
1 400 . 10 1 1 A 36 36 VAL CA C 36 60.273 61.253 -0.980 1
1 401 . 10 1 1 A 36 36 VAL CB C 36 34.388 33.041 1.347 1
1 404 . 10 1 1 A 36 36 VAL N N 36 117.579 119.974 -2.395 1
1 405 . 10 1 1 A 37 37 SER H H 37 8.097 8.674 -0.577 1
1 406 . 10 1 1 A 37 37 SER HA H 37 4.846 4.930 -0.084 1
1 409 . 10 1 1 A 37 37 SER CA C 37 55.675 55.575 0.100 1
1 410 . 10 1 1 A 37 37 SER CB C 37 63.614 64.611 -0.997 1
1 411 . 10 1 1 A 37 37 SER N N 37 122.439 121.273 1.166 1
1 412 . 10 1 1 A 38 38 PRO HA H 38 4.467 4.245 0.222 1
1 418 . 10 1 1 A 38 38 PRO C C 38 179.393 178.797 0.596 1
1 419 . 10 1 1 A 38 38 PRO CA C 38 65.685 65.485 0.200 1
1 420 . 10 1 1 A 38 38 PRO CB C 38 32.027 31.930 0.097 1
1 423 . 10 1 1 A 39 39 GLU H H 39 8.536 8.357 0.179 1
1 424 . 10 1 1 A 39 39 GLU HA H 39 4.080 4.052 0.028 1
1 429 . 10 1 1 A 39 39 GLU C C 39 178.722 179.527 -0.805 1
1 430 . 10 1 1 A 39 39 GLU CA C 39 59.711 59.821 -0.110 1
1 431 . 10 1 1 A 39 39 GLU CB C 39 28.947 29.207 -0.260 1
1 433 . 10 1 1 A 39 39 GLU N N 39 116.083 117.376 -1.293 1
1 434 . 10 1 1 A 40 40 MET H H 40 7.578 8.292 -0.714 1
1 435 . 10 1 1 A 40 40 MET HA H 40 4.224 4.210 0.014 1
1 439 . 10 1 1 A 40 40 MET C C 40 178.433 178.088 0.345 1
1 440 . 10 1 1 A 40 40 MET CA C 40 58.112 58.745 -0.633 1
1 441 . 10 1 1 A 40 40 MET CB C 40 33.685 33.243 0.442 1
1 443 . 10 1 1 A 40 40 MET N N 40 119.520 118.901 0.619 1
1 444 . 10 1 1 A 41 41 ALA H H 41 8.324 7.562 0.762 1
1 445 . 10 1 1 A 41 41 ALA HA H 41 3.975 4.065 -0.090 1
1 449 . 10 1 1 A 41 41 ALA C C 41 177.857 178.568 -0.711 1
1 450 . 10 1 1 A 41 41 ALA CA C 41 54.797 55.075 -0.278 1
1 451 . 10 1 1 A 41 41 ALA CB C 41 18.982 18.207 0.775 1
1 452 . 10 1 1 A 41 41 ALA N N 41 121.259 121.239 0.020 1
1 453 . 10 1 1 A 42 42 GLU H H 42 7.833 7.783 0.050 1
1 454 . 10 1 1 A 42 42 GLU HA H 42 4.273 4.253 0.020 1
1 458 . 10 1 1 A 42 42 GLU C C 42 178.431 177.573 0.858 1
1 459 . 10 1 1 A 42 42 GLU CA C 42 58.268 58.463 -0.195 1
1 460 . 10 1 1 A 42 42 GLU CB C 42 30.338 29.944 0.394 1
1 462 . 10 1 1 A 42 42 GLU N N 42 112.040 117.135 -5.095 1
1 463 . 10 1 1 A 43 43 ASN H H 43 7.688 7.585 0.103 1
1 464 . 10 1 1 A 43 43 ASN HA H 43 4.764 4.782 -0.018 1
1 469 . 10 1 1 A 43 43 ASN C C 43 174.879 175.401 -0.522 1
1 470 . 10 1 1 A 43 43 ASN CA C 43 54.854 54.642 0.212 1
1 471 . 10 1 1 A 43 43 ASN CB C 43 41.148 39.954 1.194 1
1 472 . 10 1 1 A 43 43 ASN N N 43 113.488 116.224 -2.736 1
1 474 . 10 1 1 A 44 44 GLU H H 44 7.861 7.689 0.172 1
1 475 . 10 1 1 A 44 44 GLU HA H 44 4.777 4.809 -0.032 1
1 480 . 10 1 1 A 44 44 GLU C C 44 176.482 175.620 0.862 1
1 481 . 10 1 1 A 44 44 GLU CA C 44 54.576 54.413 0.163 1
1 482 . 10 1 1 A 44 44 GLU CB C 44 32.781 34.413 -1.632 1
1 484 . 10 1 1 A 44 44 GLU N N 44 118.109 116.980 1.129 1
1 485 . 10 1 1 A 45 45 ASP H H 45 8.707 8.497 0.210 1
1 486 . 10 1 1 A 45 45 ASP HA H 45 4.755 4.615 0.140 1
1 488 . 10 1 1 A 45 45 ASP C C 45 176.643 175.243 1.400 1
1 489 . 10 1 1 A 45 45 ASP CA C 45 54.764 54.557 0.207 1
1 490 . 10 1 1 A 45 45 ASP CB C 45 40.807 40.897 -0.090 1
1 491 . 10 1 1 A 45 45 ASP N N 45 123.334 120.811 2.523 1
1 492 . 10 1 1 A 46 46 TYR H H 46 9.868 9.042 0.826 1
1 493 . 10 1 1 A 46 46 TYR HA H 46 4.671 5.448 -0.777 1
1 498 . 10 1 1 A 46 46 TYR C C 46 172.045 174.064 -2.019 1
1 499 . 10 1 1 A 46 46 TYR CA C 46 58.409 56.171 2.238 1
1 500 . 10 1 1 A 46 46 TYR CB C 46 40.085 41.642 -1.557 1
1 503 . 10 1 1 A 46 46 TYR N N 46 124.561 125.317 -0.756 1
1 504 . 10 1 1 A 47 47 ILE H H 47 7.520 8.649 -1.129 1
1 505 . 10 1 1 A 47 47 ILE HA H 47 4.344 4.505 -0.161 1
1 515 . 10 1 1 A 47 47 ILE C C 47 174.691 175.591 -0.900 1
1 516 . 10 1 1 A 47 47 ILE CA C 47 58.279 59.713 -1.434 1
1 517 . 10 1 1 A 47 47 ILE CB C 47 37.652 40.011 -2.359 1
1 521 . 10 1 1 A 47 47 ILE N N 47 128.737 127.053 1.684 1
1 522 . 10 1 1 A 48 48 CYS H H 48 9.142 8.315 0.827 1
1 523 . 10 1 1 A 48 48 CYS HA H 48 4.126 4.321 -0.195 1
1 526 . 10 1 1 A 48 48 CYS C C 48 175.153 176.133 -0.980 1
1 527 . 10 1 1 A 48 48 CYS CA C 48 58.302 57.745 0.557 1
1 528 . 10 1 1 A 48 48 CYS CB C 48 32.494 29.486 3.008 1
1 529 . 10 1 1 A 48 48 CYS N N 48 130.912 126.961 3.951 1
1 530 . 10 1 1 A 49 49 ILE H H 49 7.748 8.617 -0.869 1
1 531 . 10 1 1 A 49 49 ILE HA H 49 3.956 3.758 0.198 1
1 541 . 10 1 1 A 49 49 ILE C C 49 177.115 177.645 -0.530 1
1 542 . 10 1 1 A 49 49 ILE CA C 49 63.096 63.824 -0.728 1
1 543 . 10 1 1 A 49 49 ILE CB C 49 38.630 37.562 1.068 1
1 547 . 10 1 1 A 49 49 ILE N N 49 113.518 118.574 -5.056 1
1 548 . 10 1 1 A 50 50 ASN H H 50 8.859 8.246 0.613 1
1 549 . 10 1 1 A 50 50 ASN HA H 50 4.709 4.507 0.202 1
1 554 . 10 1 1 A 50 50 ASN C C 50 176.868 176.936 -0.068 1
1 555 . 10 1 1 A 50 50 ASN CA C 50 55.433 55.912 -0.479 1
1 556 . 10 1 1 A 50 50 ASN CB C 50 39.690 38.623 1.067 1
1 557 . 10 1 1 A 50 50 ASN N N 50 121.721 119.633 2.088 1
1 559 . 10 1 1 A 51 51 CYS H H 51 8.213 7.340 0.873 1
1 560 . 10 1 1 A 51 51 CYS HA H 51 4.113 4.555 -0.442 1
1 563 . 10 1 1 A 51 51 CYS C C 51 174.832 174.231 0.601 1
1 564 . 10 1 1 A 51 51 CYS CA C 51 62.048 58.444 3.604 1
1 565 . 10 1 1 A 51 51 CYS CB C 51 31.516 27.916 3.600 1
1 566 . 10 1 1 A 51 51 CYS N N 51 123.810 114.898 8.912 1
1 3 . 11 1 1 A 2 2 VAL H H 2 8.368 7.841 0.527 1
1 4 . 11 1 1 A 2 2 VAL HA H 2 5.250 4.527 0.723 1
1 12 . 11 1 1 A 2 2 VAL C C 2 176.070 175.258 0.812 1
1 13 . 11 1 1 A 2 2 VAL CA C 2 60.705 61.333 -0.628 1
1 14 . 11 1 1 A 2 2 VAL CB C 2 34.398 33.745 0.653 1
1 17 . 11 1 1 A 2 2 VAL N N 2 119.964 121.612 -1.648 1
1 18 . 11 1 1 A 3 3 CYS H H 3 9.183 8.817 0.366 1
1 19 . 11 1 1 A 3 3 CYS HA H 3 5.172 5.068 0.104 1
1 22 . 11 1 1 A 3 3 CYS C C 3 173.772 174.630 -0.858 1
1 23 . 11 1 1 A 3 3 CYS CA C 3 56.558 56.463 0.095 1
1 24 . 11 1 1 A 3 3 CYS CB C 3 32.206 29.989 2.217 1
1 25 . 11 1 1 A 3 3 CYS N N 3 128.120 124.142 3.978 1
1 26 . 11 1 1 A 4 4 ALA H H 4 7.110 8.607 -1.497 1
1 27 . 11 1 1 A 4 4 ALA HA H 4 4.234 4.655 -0.421 1
1 31 . 11 1 1 A 4 4 ALA C C 4 177.661 176.331 1.330 1
1 32 . 11 1 1 A 4 4 ALA CA C 4 52.987 51.292 1.695 1
1 33 . 11 1 1 A 4 4 ALA CB C 4 19.004 17.803 1.201 1
1 34 . 11 1 1 A 4 4 ALA N N 4 117.697 123.391 -5.694 1
1 35 . 11 1 1 A 5 5 ALA H H 5 9.154 7.440 1.714 1
1 36 . 11 1 1 A 5 5 ALA HA H 5 4.565 4.752 -0.187 1
1 40 . 11 1 1 A 5 5 ALA C C 5 177.851 177.738 0.113 1
1 41 . 11 1 1 A 5 5 ALA CA C 5 53.029 50.793 2.236 1
1 42 . 11 1 1 A 5 5 ALA CB C 5 19.533 20.684 -1.151 1
1 43 . 11 1 1 A 5 5 ALA N N 5 125.563 122.937 2.626 1
1 44 . 11 1 1 A 6 6 GLN H H 6 8.946 8.945 0.001 1
1 45 . 11 1 1 A 6 6 GLN HA H 6 4.098 4.002 0.096 1
1 52 . 11 1 1 A 6 6 GLN C C 6 176.708 176.471 0.237 1
1 53 . 11 1 1 A 6 6 GLN CA C 6 58.555 59.388 -0.833 1
1 54 . 11 1 1 A 6 6 GLN CB C 6 28.397 28.977 -0.580 1
1 56 . 11 1 1 A 6 6 GLN N N 6 122.944 123.209 -0.265 1
1 58 . 11 1 1 A 7 7 ASN H H 7 8.399 7.932 0.467 1
1 59 . 11 1 1 A 7 7 ASN HA H 7 4.848 4.988 -0.140 1
1 64 . 11 1 1 A 7 7 ASN C C 7 173.923 173.622 0.301 1
1 65 . 11 1 1 A 7 7 ASN CA C 7 51.808 51.521 0.287 1
1 66 . 11 1 1 A 7 7 ASN CB C 7 37.850 38.522 -0.672 1
1 67 . 11 1 1 A 7 7 ASN N N 7 115.700 116.708 -1.008 1
1 69 . 11 1 1 A 8 8 CYS H H 8 7.655 8.836 -1.181 1
1 70 . 11 1 1 A 8 8 CYS HA H 8 4.947 5.142 -0.195 1
1 73 . 11 1 1 A 8 8 CYS C C 8 177.267 174.041 3.226 1
1 74 . 11 1 1 A 8 8 CYS CA C 8 59.479 57.692 1.787 1
1 75 . 11 1 1 A 8 8 CYS CB C 8 29.085 30.178 -1.093 1
1 76 . 11 1 1 A 8 8 CYS N N 8 122.410 123.669 -1.259 1
1 77 . 11 1 1 A 9 9 GLN H H 9 9.901 9.007 0.894 1
1 78 . 11 1 1 A 9 9 GLN HA H 9 4.193 4.950 -0.757 1
1 85 . 11 1 1 A 9 9 GLN C C 9 175.088 174.161 0.927 1
1 86 . 11 1 1 A 9 9 GLN CA C 9 56.730 54.227 2.503 1
1 87 . 11 1 1 A 9 9 GLN CB C 9 28.833 31.819 -2.986 1
1 89 . 11 1 1 A 9 9 GLN N N 9 133.116 121.606 11.510 1
1 91 . 11 1 1 A 10 10 ARG H H 10 10.013 8.569 1.444 1
1 92 . 11 1 1 A 10 10 ARG HA H 10 4.138 4.557 -0.419 1
1 98 . 11 1 1 A 10 10 ARG CA C 10 55.426 52.938 2.488 1
1 99 . 11 1 1 A 10 10 ARG CB C 10 28.647 31.105 -2.458 1
1 102 . 11 1 1 A 10 10 ARG N N 10 121.692 124.277 -2.585 1
1 103 . 11 1 1 A 11 11 PRO HA H 11 4.178 4.236 -0.058 1
1 110 . 11 1 1 A 11 11 PRO C C 11 177.355 177.258 0.097 1
1 111 . 11 1 1 A 11 11 PRO CA C 11 63.005 65.804 -2.799 1
1 112 . 11 1 1 A 11 11 PRO CB C 11 31.662 31.377 0.285 1
1 115 . 11 1 1 A 12 12 CYS H H 12 8.662 7.930 0.732 1
1 116 . 11 1 1 A 12 12 CYS HA H 12 4.629 4.156 0.473 1
1 119 . 11 1 1 A 12 12 CYS C C 12 173.972 173.936 0.036 1
1 120 . 11 1 1 A 12 12 CYS CA C 12 58.103 60.342 -2.239 1
1 121 . 11 1 1 A 12 12 CYS CB C 12 27.951 26.370 1.581 1
1 122 . 11 1 1 A 12 12 CYS N N 12 120.690 114.629 6.061 1
1 123 . 11 1 1 A 13 13 LYS H H 13 7.138 7.893 -0.755 1
1 124 . 11 1 1 A 13 13 LYS HA H 13 4.406 4.343 0.063 1
1 131 . 11 1 1 A 13 13 LYS C C 13 174.846 177.439 -2.593 1
1 132 . 11 1 1 A 13 13 LYS CA C 13 55.401 55.569 -0.168 1
1 133 . 11 1 1 A 13 13 LYS CB C 13 34.650 33.717 0.933 1
1 137 . 11 1 1 A 13 13 LYS N N 13 121.573 119.468 2.105 1
1 138 . 11 1 1 A 14 14 ASP H H 14 8.395 9.029 -0.634 1
1 139 . 11 1 1 A 14 14 ASP HA H 14 4.301 4.248 0.053 1
1 142 . 11 1 1 A 14 14 ASP C C 14 176.114 175.515 0.599 1
1 143 . 11 1 1 A 14 14 ASP CA C 14 57.107 57.273 -0.166 1
1 144 . 11 1 1 A 14 14 ASP CB C 14 40.801 41.380 -0.579 1
1 145 . 11 1 1 A 14 14 ASP N N 14 118.919 122.705 -3.786 1
1 146 . 11 1 1 A 15 15 LYS H H 15 7.593 7.868 -0.275 1
1 147 . 11 1 1 A 15 15 LYS HA H 15 4.818 4.811 0.007 1
1 155 . 11 1 1 A 15 15 LYS C C 15 175.145 175.734 -0.589 1
1 156 . 11 1 1 A 15 15 LYS CA C 15 55.491 54.955 0.536 1
1 157 . 11 1 1 A 15 15 LYS CB C 15 34.485 35.105 -0.620 1
1 161 . 11 1 1 A 15 15 LYS N N 15 117.259 117.200 0.059 1
1 162 . 11 1 1 A 16 16 VAL H H 16 8.811 9.018 -0.207 1
1 163 . 11 1 1 A 16 16 VAL HA H 16 4.083 4.922 -0.839 1
1 171 . 11 1 1 A 16 16 VAL C C 16 174.356 173.967 0.389 1
1 172 . 11 1 1 A 16 16 VAL CA C 16 61.679 58.884 2.795 1
1 173 . 11 1 1 A 16 16 VAL CB C 16 34.315 35.670 -1.355 1
1 176 . 11 1 1 A 16 16 VAL N N 16 123.375 117.744 5.631 1
1 177 . 11 1 1 A 17 17 ASP H H 17 7.938 8.600 -0.662 1
1 178 . 11 1 1 A 17 17 ASP HA H 17 5.639 5.428 0.211 1
1 181 . 11 1 1 A 17 17 ASP C C 17 177.550 175.583 1.967 1
1 182 . 11 1 1 A 17 17 ASP CA C 17 54.991 53.209 1.782 1
1 183 . 11 1 1 A 17 17 ASP CB C 17 43.020 43.338 -0.318 1
1 184 . 11 1 1 A 17 17 ASP N N 17 124.698 122.022 2.676 1
1 185 . 11 1 1 A 18 18 TRP H H 18 9.636 9.156 0.480 1
1 186 . 11 1 1 A 18 18 TRP HA H 18 5.793 5.991 -0.198 1
1 195 . 11 1 1 A 18 18 TRP C C 18 176.051 175.494 0.557 1
1 196 . 11 1 1 A 18 18 TRP CA C 18 56.881 56.010 0.871 1
1 197 . 11 1 1 A 18 18 TRP CB C 18 34.097 34.315 -0.218 1
1 203 . 11 1 1 A 18 18 TRP N N 18 123.330 121.971 1.359 1
1 205 . 11 1 1 A 19 19 VAL H H 19 10.592 9.195 1.397 1
1 206 . 11 1 1 A 19 19 VAL HA H 19 5.409 5.043 0.366 1
1 214 . 11 1 1 A 19 19 VAL C C 19 170.168 174.330 -4.162 1
1 215 . 11 1 1 A 19 19 VAL CA C 19 60.297 60.606 -0.309 1
1 216 . 11 1 1 A 19 19 VAL CB C 19 36.269 35.877 0.392 1
1 219 . 11 1 1 A 19 19 VAL N N 19 122.558 120.261 2.297 1
1 220 . 11 1 1 A 20 20 GLN H H 20 8.359 8.836 -0.477 1
1 221 . 11 1 1 A 20 20 GLN HA H 20 4.728 4.505 0.223 1
1 228 . 11 1 1 A 20 20 GLN C C 20 176.280 175.396 0.884 1
1 229 . 11 1 1 A 20 20 GLN CA C 20 53.251 53.819 -0.568 1
1 230 . 11 1 1 A 20 20 GLN CB C 20 28.640 30.872 -2.232 1
1 232 . 11 1 1 A 20 20 GLN N N 20 132.425 125.483 6.942 1
1 234 . 11 1 1 A 21 21 CYS H H 21 8.618 8.429 0.189 1
1 235 . 11 1 1 A 21 21 CYS HA H 21 4.601 4.898 -0.297 1
1 238 . 11 1 1 A 21 21 CYS C C 21 177.580 174.983 2.597 1
1 239 . 11 1 1 A 21 21 CYS CA C 21 61.339 58.857 2.482 1
1 240 . 11 1 1 A 21 21 CYS CB C 21 32.597 28.566 4.031 1
1 241 . 11 1 1 A 21 21 CYS N N 21 128.017 123.832 4.185 1
1 242 . 11 1 1 A 22 22 ASP H H 22 10.211 9.406 0.805 1
1 243 . 11 1 1 A 22 22 ASP HA H 22 4.926 4.952 -0.026 1
1 246 . 11 1 1 A 22 22 ASP C C 22 177.366 176.793 0.573 1
1 247 . 11 1 1 A 22 22 ASP CA C 22 56.782 53.961 2.821 1
1 248 . 11 1 1 A 22 22 ASP CB C 22 43.715 41.673 2.042 1
1 249 . 11 1 1 A 22 22 ASP N N 22 128.881 125.335 3.546 1
1 250 . 11 1 1 A 23 23 GLY H H 23 11.136 7.962 3.174 1
1 251 . 11 1 1 A 23 23 GLY HA2 H 23 3.556 3.977 -0.421 1
1 252 . 11 1 1 A 23 23 GLY HA3 H 23 4.026 3.988 0.038 1
1 253 . 11 1 1 A 23 23 GLY C C 23 173.584 174.456 -0.872 1
1 254 . 11 1 1 A 23 23 GLY CA C 23 45.651 45.306 0.345 1
1 255 . 11 1 1 A 23 23 GLY N N 23 117.638 107.695 9.943 1
1 256 . 11 1 1 A 24 24 GLY H H 24 8.906 7.995 0.911 1
1 257 . 11 1 1 A 24 24 GLY HA2 H 24 3.451 3.974 -0.523 1
1 258 . 11 1 1 A 24 24 GLY HA3 H 24 4.722 3.978 0.744 1
1 259 . 11 1 1 A 24 24 GLY C C 24 175.467 174.665 0.802 1
1 260 . 11 1 1 A 24 24 GLY CA C 24 45.165 45.283 -0.118 1
1 261 . 11 1 1 A 24 24 GLY N N 24 109.634 107.228 2.406 1
1 262 . 11 1 1 A 25 25 CYS H H 25 7.599 8.232 -0.633 1
1 263 . 11 1 1 A 25 25 CYS HA H 25 4.450 4.112 0.338 1
1 266 . 11 1 1 A 25 25 CYS C C 25 175.747 174.597 1.150 1
1 267 . 11 1 1 A 25 25 CYS CA C 25 60.192 62.184 -1.992 1
1 268 . 11 1 1 A 25 25 CYS CB C 25 30.266 27.584 2.682 1
1 269 . 11 1 1 A 25 25 CYS N N 25 119.707 120.097 -0.390 1
1 270 . 11 1 1 A 26 26 ASP H H 26 8.156 8.014 0.142 1
1 271 . 11 1 1 A 26 26 ASP HA H 26 4.364 4.055 0.309 1
1 274 . 11 1 1 A 26 26 ASP C C 26 175.426 174.366 1.060 1
1 275 . 11 1 1 A 26 26 ASP CA C 26 56.106 55.073 1.033 1
1 276 . 11 1 1 A 26 26 ASP CB C 26 40.889 38.720 2.169 1
1 277 . 11 1 1 A 26 26 ASP N N 26 118.432 117.266 1.166 1
1 278 . 11 1 1 A 27 27 GLU H H 27 9.181 7.423 1.758 1
1 279 . 11 1 1 A 27 27 GLU HA H 27 4.379 4.804 -0.425 1
1 284 . 11 1 1 A 27 27 GLU C C 27 175.329 174.588 0.741 1
1 285 . 11 1 1 A 27 27 GLU CA C 27 58.179 54.349 3.830 1
1 286 . 11 1 1 A 27 27 GLU CB C 27 30.604 32.998 -2.394 1
1 288 . 11 1 1 A 27 27 GLU N N 27 122.798 116.420 6.378 1
1 289 . 11 1 1 A 28 28 TRP H H 28 8.472 8.713 -0.241 1
1 290 . 11 1 1 A 28 28 TRP HA H 28 4.934 5.702 -0.768 1
1 299 . 11 1 1 A 28 28 TRP C C 28 175.838 175.616 0.222 1
1 300 . 11 1 1 A 28 28 TRP CA C 28 57.313 55.830 1.483 1
1 301 . 11 1 1 A 28 28 TRP CB C 28 31.956 31.325 0.631 1
1 307 . 11 1 1 A 28 28 TRP N N 28 117.567 119.448 -1.881 1
1 309 . 11 1 1 A 29 29 PHE H H 29 9.792 9.537 0.255 1
1 310 . 11 1 1 A 29 29 PHE HA H 29 4.865 5.444 -0.579 1
1 316 . 11 1 1 A 29 29 PHE C C 29 176.573 174.746 1.827 1
1 317 . 11 1 1 A 29 29 PHE CA C 29 56.788 56.226 0.562 1
1 318 . 11 1 1 A 29 29 PHE CB C 29 42.755 43.748 -0.993 1
1 322 . 11 1 1 A 29 29 PHE N N 29 120.754 120.395 0.359 1
1 323 . 11 1 1 A 30 30 HIS H H 30 9.889 8.478 1.411 1
1 324 . 11 1 1 A 30 30 HIS HA H 30 4.383 5.009 -0.626 1
1 328 . 11 1 1 A 30 30 HIS C C 30 177.229 176.069 1.160 1
1 329 . 11 1 1 A 30 30 HIS CA C 30 57.127 54.791 2.336 1
1 330 . 11 1 1 A 30 30 HIS CB C 30 29.589 32.294 -2.705 1
1 332 . 11 1 1 A 30 30 HIS N N 30 124.925 118.217 6.708 1
1 333 . 11 1 1 A 31 31 GLN H H 31 8.636 9.108 -0.472 1
1 334 . 11 1 1 A 31 31 GLN HA H 31 3.563 3.796 -0.233 1
1 341 . 11 1 1 A 31 31 GLN C C 31 178.836 177.982 0.854 1
1 342 . 11 1 1 A 31 31 GLN CA C 31 60.702 59.779 0.923 1
1 343 . 11 1 1 A 31 31 GLN CB C 31 26.688 28.302 -1.614 1
1 345 . 11 1 1 A 31 31 GLN N N 31 124.356 123.121 1.235 1
1 347 . 11 1 1 A 32 32 VAL H H 32 8.975 7.922 1.053 1
1 348 . 11 1 1 A 32 32 VAL HA H 32 4.096 3.865 0.231 1
1 356 . 11 1 1 A 32 32 VAL CA C 32 64.568 64.568 0.000 1
1 357 . 11 1 1 A 32 32 VAL CB C 32 31.689 31.437 0.252 1
1 360 . 11 1 1 A 32 32 VAL N N 32 114.507 115.516 -1.009 1
1 361 . 11 1 1 A 33 33 CYS H H 33 6.770 7.667 -0.897 1
1 362 . 11 1 1 A 33 33 CYS HA H 33 4.139 4.306 -0.167 1
1 365 . 11 1 1 A 33 33 CYS C C 33 177.175 175.654 1.521 1
1 366 . 11 1 1 A 33 33 CYS CA C 33 62.799 61.321 1.478 1
1 367 . 11 1 1 A 33 33 CYS CB C 33 29.256 27.802 1.454 1
1 368 . 11 1 1 A 33 33 CYS N N 33 120.275 119.983 0.292 1
1 369 . 11 1 1 A 34 34 VAL H H 34 7.144 7.490 -0.346 1
1 370 . 11 1 1 A 34 34 VAL HA H 34 4.599 4.223 0.376 1
1 378 . 11 1 1 A 34 34 VAL C C 34 176.099 175.968 0.131 1
1 379 . 11 1 1 A 34 34 VAL CA C 34 60.218 62.040 -1.822 1
1 380 . 11 1 1 A 34 34 VAL CB C 34 31.918 31.676 0.242 1
1 383 . 11 1 1 A 34 34 VAL N N 34 106.458 119.388 -12.930 1
1 384 . 11 1 1 A 35 35 GLY H H 35 7.519 7.827 -0.308 1
1 385 . 11 1 1 A 35 35 GLY HA2 H 35 3.897 3.921 -0.024 1
1 386 . 11 1 1 A 35 35 GLY HA3 H 35 3.954 3.941 0.013 1
1 387 . 11 1 1 A 35 35 GLY C C 35 174.669 174.629 0.040 1
1 388 . 11 1 1 A 35 35 GLY CA C 35 47.173 46.916 0.257 1
1 389 . 11 1 1 A 35 35 GLY N N 35 110.261 111.313 -1.052 1
1 390 . 11 1 1 A 36 36 VAL H H 36 7.556 8.244 -0.688 1
1 391 . 11 1 1 A 36 36 VAL HA H 36 4.480 4.298 0.182 1
1 399 . 11 1 1 A 36 36 VAL C C 36 174.103 174.675 -0.572 1
1 400 . 11 1 1 A 36 36 VAL CA C 36 60.273 61.031 -0.758 1
1 401 . 11 1 1 A 36 36 VAL CB C 36 34.388 33.479 0.909 1
1 404 . 11 1 1 A 36 36 VAL N N 36 117.579 119.673 -2.094 1
1 405 . 11 1 1 A 37 37 SER H H 37 8.097 8.586 -0.489 1
1 406 . 11 1 1 A 37 37 SER HA H 37 4.846 4.968 -0.122 1
1 409 . 11 1 1 A 37 37 SER CA C 37 55.675 55.203 0.472 1
1 410 . 11 1 1 A 37 37 SER CB C 37 63.614 64.825 -1.211 1
1 411 . 11 1 1 A 37 37 SER N N 37 122.439 119.461 2.978 1
1 412 . 11 1 1 A 38 38 PRO HA H 38 4.467 4.229 0.238 1
1 418 . 11 1 1 A 38 38 PRO C C 38 179.393 178.920 0.473 1
1 419 . 11 1 1 A 38 38 PRO CA C 38 65.685 65.622 0.063 1
1 420 . 11 1 1 A 38 38 PRO CB C 38 32.027 31.905 0.122 1
1 423 . 11 1 1 A 39 39 GLU H H 39 8.536 8.397 0.139 1
1 424 . 11 1 1 A 39 39 GLU HA H 39 4.080 4.049 0.031 1
1 429 . 11 1 1 A 39 39 GLU C C 39 178.722 179.490 -0.768 1
1 430 . 11 1 1 A 39 39 GLU CA C 39 59.711 59.757 -0.046 1
1 431 . 11 1 1 A 39 39 GLU CB C 39 28.947 29.172 -0.225 1
1 433 . 11 1 1 A 39 39 GLU N N 39 116.083 117.409 -1.326 1
1 434 . 11 1 1 A 40 40 MET H H 40 7.578 8.306 -0.728 1
1 435 . 11 1 1 A 40 40 MET HA H 40 4.224 4.214 0.010 1
1 439 . 11 1 1 A 40 40 MET C C 40 178.433 178.123 0.310 1
1 440 . 11 1 1 A 40 40 MET CA C 40 58.112 58.548 -0.436 1
1 441 . 11 1 1 A 40 40 MET CB C 40 33.685 33.082 0.603 1
1 443 . 11 1 1 A 40 40 MET N N 40 119.520 119.083 0.437 1
1 444 . 11 1 1 A 41 41 ALA H H 41 8.324 7.610 0.714 1
1 445 . 11 1 1 A 41 41 ALA HA H 41 3.975 4.014 -0.039 1
1 449 . 11 1 1 A 41 41 ALA C C 41 177.857 178.292 -0.435 1
1 450 . 11 1 1 A 41 41 ALA CA C 41 54.797 54.862 -0.065 1
1 451 . 11 1 1 A 41 41 ALA CB C 41 18.982 18.246 0.736 1
1 452 . 11 1 1 A 41 41 ALA N N 41 121.259 121.224 0.035 1
1 453 . 11 1 1 A 42 42 GLU H H 42 7.833 7.665 0.168 1
1 454 . 11 1 1 A 42 42 GLU HA H 42 4.273 4.267 0.006 1
1 458 . 11 1 1 A 42 42 GLU C C 42 178.431 177.771 0.660 1
1 459 . 11 1 1 A 42 42 GLU CA C 42 58.268 58.173 0.095 1
1 460 . 11 1 1 A 42 42 GLU CB C 42 30.338 30.050 0.288 1
1 462 . 11 1 1 A 42 42 GLU N N 42 112.040 116.990 -4.950 1
1 463 . 11 1 1 A 43 43 ASN H H 43 7.688 7.637 0.051 1
1 464 . 11 1 1 A 43 43 ASN HA H 43 4.764 4.788 -0.024 1
1 469 . 11 1 1 A 43 43 ASN C C 43 174.879 174.887 -0.008 1
1 470 . 11 1 1 A 43 43 ASN CA C 43 54.854 54.835 0.019 1
1 471 . 11 1 1 A 43 43 ASN CB C 43 41.148 40.274 0.874 1
1 472 . 11 1 1 A 43 43 ASN N N 43 113.488 116.261 -2.773 1
1 474 . 11 1 1 A 44 44 GLU H H 44 7.861 8.042 -0.181 1
1 475 . 11 1 1 A 44 44 GLU HA H 44 4.777 4.807 -0.030 1
1 480 . 11 1 1 A 44 44 GLU C C 44 176.482 174.233 2.249 1
1 481 . 11 1 1 A 44 44 GLU CA C 44 54.576 55.111 -0.535 1
1 482 . 11 1 1 A 44 44 GLU CB C 44 32.781 33.441 -0.660 1
1 484 . 11 1 1 A 44 44 GLU N N 44 118.109 118.123 -0.014 1
1 485 . 11 1 1 A 45 45 ASP H H 45 8.707 8.584 0.123 1
1 486 . 11 1 1 A 45 45 ASP HA H 45 4.755 4.595 0.160 1
1 488 . 11 1 1 A 45 45 ASP C C 45 176.643 175.277 1.366 1
1 489 . 11 1 1 A 45 45 ASP CA C 45 54.764 54.873 -0.109 1
1 490 . 11 1 1 A 45 45 ASP CB C 45 40.807 40.943 -0.136 1
1 491 . 11 1 1 A 45 45 ASP N N 45 123.334 123.166 0.168 1
1 492 . 11 1 1 A 46 46 TYR H H 46 9.868 8.527 1.341 1
1 493 . 11 1 1 A 46 46 TYR HA H 46 4.671 5.310 -0.639 1
1 498 . 11 1 1 A 46 46 TYR C C 46 172.045 174.133 -2.088 1
1 499 . 11 1 1 A 46 46 TYR CA C 46 58.409 56.323 2.086 1
1 500 . 11 1 1 A 46 46 TYR CB C 46 40.085 41.583 -1.498 1
1 503 . 11 1 1 A 46 46 TYR N N 46 124.561 124.883 -0.322 1
1 504 . 11 1 1 A 47 47 ILE H H 47 7.520 8.567 -1.047 1
1 505 . 11 1 1 A 47 47 ILE HA H 47 4.344 4.543 -0.199 1
1 515 . 11 1 1 A 47 47 ILE C C 47 174.691 175.768 -1.077 1
1 516 . 11 1 1 A 47 47 ILE CA C 47 58.279 59.634 -1.355 1
1 517 . 11 1 1 A 47 47 ILE CB C 47 37.652 40.159 -2.507 1
1 521 . 11 1 1 A 47 47 ILE N N 47 128.737 126.985 1.752 1
1 522 . 11 1 1 A 48 48 CYS H H 48 9.142 8.350 0.792 1
1 523 . 11 1 1 A 48 48 CYS HA H 48 4.126 4.489 -0.363 1
1 526 . 11 1 1 A 48 48 CYS C C 48 175.153 176.595 -1.442 1
1 527 . 11 1 1 A 48 48 CYS CA C 48 58.302 57.374 0.928 1
1 528 . 11 1 1 A 48 48 CYS CB C 48 32.494 29.750 2.744 1
1 529 . 11 1 1 A 48 48 CYS N N 48 130.912 126.272 4.640 1
1 530 . 11 1 1 A 49 49 ILE H H 49 7.748 8.658 -0.910 1
1 531 . 11 1 1 A 49 49 ILE HA H 49 3.956 3.784 0.172 1
1 541 . 11 1 1 A 49 49 ILE C C 49 177.115 177.561 -0.446 1
1 542 . 11 1 1 A 49 49 ILE CA C 49 63.096 63.849 -0.753 1
1 543 . 11 1 1 A 49 49 ILE CB C 49 38.630 37.557 1.073 1
1 547 . 11 1 1 A 49 49 ILE N N 49 113.518 118.091 -4.573 1
1 548 . 11 1 1 A 50 50 ASN H H 50 8.859 8.448 0.411 1
1 549 . 11 1 1 A 50 50 ASN HA H 50 4.709 4.615 0.094 1
1 554 . 11 1 1 A 50 50 ASN C C 50 176.868 176.478 0.390 1
1 555 . 11 1 1 A 50 50 ASN CA C 50 55.433 55.382 0.051 1
1 556 . 11 1 1 A 50 50 ASN CB C 50 39.690 38.684 1.006 1
1 557 . 11 1 1 A 50 50 ASN N N 50 121.721 119.603 2.118 1
1 559 . 11 1 1 A 51 51 CYS H H 51 8.213 7.313 0.900 1
1 560 . 11 1 1 A 51 51 CYS HA H 51 4.113 4.631 -0.518 1
1 563 . 11 1 1 A 51 51 CYS C C 51 174.832 174.425 0.407 1
1 564 . 11 1 1 A 51 51 CYS CA C 51 62.048 58.339 3.709 1
1 565 . 11 1 1 A 51 51 CYS CB C 51 31.516 28.278 3.238 1
1 566 . 11 1 1 A 51 51 CYS N N 51 123.810 115.601 8.209 1
1 3 . 12 1 1 A 2 2 VAL H H 2 8.368 9.050 -0.682 1
1 4 . 12 1 1 A 2 2 VAL HA H 2 5.250 4.650 0.600 1
1 12 . 12 1 1 A 2 2 VAL C C 2 176.070 175.502 0.568 1
1 13 . 12 1 1 A 2 2 VAL CA C 2 60.705 61.318 -0.613 1
1 14 . 12 1 1 A 2 2 VAL CB C 2 34.398 33.834 0.564 1
1 17 . 12 1 1 A 2 2 VAL N N 2 119.964 127.299 -7.335 1
1 18 . 12 1 1 A 3 3 CYS H H 3 9.183 9.038 0.145 1
1 19 . 12 1 1 A 3 3 CYS HA H 3 5.172 5.141 0.031 1
1 22 . 12 1 1 A 3 3 CYS C C 3 173.772 174.283 -0.511 1
1 23 . 12 1 1 A 3 3 CYS CA C 3 56.558 56.389 0.169 1
1 24 . 12 1 1 A 3 3 CYS CB C 3 32.206 30.156 2.050 1
1 25 . 12 1 1 A 3 3 CYS N N 3 128.120 124.362 3.758 1
1 26 . 12 1 1 A 4 4 ALA H H 4 7.110 8.575 -1.465 1
1 27 . 12 1 1 A 4 4 ALA HA H 4 4.234 4.805 -0.571 1
1 31 . 12 1 1 A 4 4 ALA C C 4 177.661 176.377 1.284 1
1 32 . 12 1 1 A 4 4 ALA CA C 4 52.987 51.142 1.845 1
1 33 . 12 1 1 A 4 4 ALA CB C 4 19.004 18.466 0.538 1
1 34 . 12 1 1 A 4 4 ALA N N 4 117.697 123.617 -5.920 1
1 35 . 12 1 1 A 5 5 ALA H H 5 9.154 7.586 1.568 1
1 36 . 12 1 1 A 5 5 ALA HA H 5 4.565 4.752 -0.187 1
1 40 . 12 1 1 A 5 5 ALA C C 5 177.851 177.705 0.146 1
1 41 . 12 1 1 A 5 5 ALA CA C 5 53.029 50.914 2.115 1
1 42 . 12 1 1 A 5 5 ALA CB C 5 19.533 20.515 -0.982 1
1 43 . 12 1 1 A 5 5 ALA N N 5 125.563 122.849 2.714 1
1 44 . 12 1 1 A 6 6 GLN H H 6 8.946 8.913 0.033 1
1 45 . 12 1 1 A 6 6 GLN HA H 6 4.098 4.000 0.098 1
1 52 . 12 1 1 A 6 6 GLN C C 6 176.708 176.393 0.315 1
1 53 . 12 1 1 A 6 6 GLN CA C 6 58.555 59.384 -0.829 1
1 54 . 12 1 1 A 6 6 GLN CB C 6 28.397 28.973 -0.576 1
1 56 . 12 1 1 A 6 6 GLN N N 6 122.944 123.170 -0.226 1
1 58 . 12 1 1 A 7 7 ASN H H 7 8.399 7.926 0.473 1
1 59 . 12 1 1 A 7 7 ASN HA H 7 4.848 4.976 -0.128 1
1 64 . 12 1 1 A 7 7 ASN C C 7 173.923 173.734 0.189 1
1 65 . 12 1 1 A 7 7 ASN CA C 7 51.808 51.550 0.258 1
1 66 . 12 1 1 A 7 7 ASN CB C 7 37.850 38.430 -0.580 1
1 67 . 12 1 1 A 7 7 ASN N N 7 115.700 116.726 -1.026 1
1 69 . 12 1 1 A 8 8 CYS H H 8 7.655 8.846 -1.191 1
1 70 . 12 1 1 A 8 8 CYS HA H 8 4.947 5.239 -0.292 1
1 73 . 12 1 1 A 8 8 CYS C C 8 177.267 173.850 3.417 1
1 74 . 12 1 1 A 8 8 CYS CA C 8 59.479 57.567 1.912 1
1 75 . 12 1 1 A 8 8 CYS CB C 8 29.085 29.931 -0.846 1
1 76 . 12 1 1 A 8 8 CYS N N 8 122.410 124.470 -2.060 1
1 77 . 12 1 1 A 9 9 GLN H H 9 9.901 8.727 1.174 1
1 78 . 12 1 1 A 9 9 GLN HA H 9 4.193 4.866 -0.673 1
1 85 . 12 1 1 A 9 9 GLN C C 9 175.088 174.644 0.444 1
1 86 . 12 1 1 A 9 9 GLN CA C 9 56.730 54.566 2.164 1
1 87 . 12 1 1 A 9 9 GLN CB C 9 28.833 31.697 -2.864 1
1 89 . 12 1 1 A 9 9 GLN N N 9 133.116 125.335 7.781 1
1 91 . 12 1 1 A 10 10 ARG H H 10 10.013 8.753 1.260 1
1 92 . 12 1 1 A 10 10 ARG HA H 10 4.138 4.758 -0.620 1
1 98 . 12 1 1 A 10 10 ARG CA C 10 55.426 52.382 3.044 1
1 99 . 12 1 1 A 10 10 ARG CB C 10 28.647 30.386 -1.739 1
1 102 . 12 1 1 A 10 10 ARG N N 10 121.692 123.338 -1.646 1
1 103 . 12 1 1 A 11 11 PRO HA H 11 4.178 4.267 -0.089 1
1 110 . 12 1 1 A 11 11 PRO C C 11 177.355 177.261 0.094 1
1 111 . 12 1 1 A 11 11 PRO CA C 11 63.005 65.237 -2.232 1
1 112 . 12 1 1 A 11 11 PRO CB C 11 31.662 31.514 0.148 1
1 115 . 12 1 1 A 12 12 CYS H H 12 8.662 7.874 0.788 1
1 116 . 12 1 1 A 12 12 CYS HA H 12 4.629 4.145 0.484 1
1 119 . 12 1 1 A 12 12 CYS C C 12 173.972 174.050 -0.078 1
1 120 . 12 1 1 A 12 12 CYS CA C 12 58.103 60.424 -2.321 1
1 121 . 12 1 1 A 12 12 CYS CB C 12 27.951 26.591 1.360 1
1 122 . 12 1 1 A 12 12 CYS N N 12 120.690 114.991 5.699 1
1 123 . 12 1 1 A 13 13 LYS H H 13 7.138 7.850 -0.712 1
1 124 . 12 1 1 A 13 13 LYS HA H 13 4.406 4.320 0.086 1
1 131 . 12 1 1 A 13 13 LYS C C 13 174.846 177.558 -2.712 1
1 132 . 12 1 1 A 13 13 LYS CA C 13 55.401 55.836 -0.435 1
1 133 . 12 1 1 A 13 13 LYS CB C 13 34.650 33.470 1.180 1
1 137 . 12 1 1 A 13 13 LYS N N 13 121.573 119.939 1.634 1
1 138 . 12 1 1 A 14 14 ASP H H 14 8.395 8.706 -0.311 1
1 139 . 12 1 1 A 14 14 ASP HA H 14 4.301 4.343 -0.042 1
1 142 . 12 1 1 A 14 14 ASP C C 14 176.114 176.922 -0.808 1
1 143 . 12 1 1 A 14 14 ASP CA C 14 57.107 57.106 0.001 1
1 144 . 12 1 1 A 14 14 ASP CB C 14 40.801 41.043 -0.242 1
1 145 . 12 1 1 A 14 14 ASP N N 14 118.919 120.845 -1.926 1
1 146 . 12 1 1 A 15 15 LYS H H 15 7.593 8.096 -0.503 1
1 147 . 12 1 1 A 15 15 LYS HA H 15 4.818 4.466 0.352 1
1 155 . 12 1 1 A 15 15 LYS C C 15 175.145 175.523 -0.378 1
1 156 . 12 1 1 A 15 15 LYS CA C 15 55.491 55.340 0.151 1
1 157 . 12 1 1 A 15 15 LYS CB C 15 34.485 32.153 2.332 1
1 161 . 12 1 1 A 15 15 LYS N N 15 117.259 118.120 -0.861 1
1 162 . 12 1 1 A 16 16 VAL H H 16 8.811 8.311 0.500 1
1 163 . 12 1 1 A 16 16 VAL HA H 16 4.083 4.939 -0.856 1
1 171 . 12 1 1 A 16 16 VAL C C 16 174.356 173.988 0.368 1
1 172 . 12 1 1 A 16 16 VAL CA C 16 61.679 60.505 1.174 1
1 173 . 12 1 1 A 16 16 VAL CB C 16 34.315 33.499 0.816 1
1 176 . 12 1 1 A 16 16 VAL N N 16 123.375 120.153 3.222 1
1 177 . 12 1 1 A 17 17 ASP H H 17 7.938 8.872 -0.934 1
1 178 . 12 1 1 A 17 17 ASP HA H 17 5.639 5.774 -0.135 1
1 181 . 12 1 1 A 17 17 ASP C C 17 177.550 174.690 2.860 1
1 182 . 12 1 1 A 17 17 ASP CA C 17 54.991 52.661 2.330 1
1 183 . 12 1 1 A 17 17 ASP CB C 17 43.020 44.542 -1.522 1
1 184 . 12 1 1 A 17 17 ASP N N 17 124.698 123.927 0.771 1
1 185 . 12 1 1 A 18 18 TRP H H 18 9.636 9.204 0.432 1
1 186 . 12 1 1 A 18 18 TRP HA H 18 5.793 5.892 -0.099 1
1 195 . 12 1 1 A 18 18 TRP C C 18 176.051 175.414 0.637 1
1 196 . 12 1 1 A 18 18 TRP CA C 18 56.881 56.006 0.875 1
1 197 . 12 1 1 A 18 18 TRP CB C 18 34.097 34.703 -0.606 1
1 203 . 12 1 1 A 18 18 TRP N N 18 123.330 123.872 -0.542 1
1 205 . 12 1 1 A 19 19 VAL H H 19 10.592 9.113 1.479 1
1 206 . 12 1 1 A 19 19 VAL HA H 19 5.409 5.047 0.362 1
1 214 . 12 1 1 A 19 19 VAL C C 19 170.168 174.730 -4.562 1
1 215 . 12 1 1 A 19 19 VAL CA C 19 60.297 60.611 -0.314 1
1 216 . 12 1 1 A 19 19 VAL CB C 19 36.269 35.924 0.345 1
1 219 . 12 1 1 A 19 19 VAL N N 19 122.558 120.141 2.417 1
1 220 . 12 1 1 A 20 20 GLN H H 20 8.359 8.815 -0.456 1
1 221 . 12 1 1 A 20 20 GLN HA H 20 4.728 4.368 0.360 1
1 228 . 12 1 1 A 20 20 GLN C C 20 176.280 175.207 1.073 1
1 229 . 12 1 1 A 20 20 GLN CA C 20 53.251 54.116 -0.865 1
1 230 . 12 1 1 A 20 20 GLN CB C 20 28.640 30.530 -1.890 1
1 232 . 12 1 1 A 20 20 GLN N N 20 132.425 125.626 6.799 1
1 234 . 12 1 1 A 21 21 CYS H H 21 8.618 8.349 0.269 1
1 235 . 12 1 1 A 21 21 CYS HA H 21 4.601 4.920 -0.319 1
1 238 . 12 1 1 A 21 21 CYS C C 21 177.580 175.666 1.914 1
1 239 . 12 1 1 A 21 21 CYS CA C 21 61.339 58.434 2.905 1
1 240 . 12 1 1 A 21 21 CYS CB C 21 32.597 28.846 3.751 1
1 241 . 12 1 1 A 21 21 CYS N N 21 128.017 124.192 3.825 1
1 242 . 12 1 1 A 22 22 ASP H H 22 10.211 9.426 0.785 1
1 243 . 12 1 1 A 22 22 ASP HA H 22 4.926 4.848 0.078 1
1 246 . 12 1 1 A 22 22 ASP C C 22 177.366 176.442 0.924 1
1 247 . 12 1 1 A 22 22 ASP CA C 22 56.782 54.387 2.395 1
1 248 . 12 1 1 A 22 22 ASP CB C 22 43.715 41.409 2.306 1
1 249 . 12 1 1 A 22 22 ASP N N 22 128.881 125.874 3.007 1
1 250 . 12 1 1 A 23 23 GLY H H 23 11.136 8.243 2.893 1
1 251 . 12 1 1 A 23 23 GLY HA2 H 23 3.556 4.017 -0.461 1
1 252 . 12 1 1 A 23 23 GLY HA3 H 23 4.026 4.019 0.007 1
1 253 . 12 1 1 A 23 23 GLY C C 23 173.584 175.017 -1.433 1
1 254 . 12 1 1 A 23 23 GLY CA C 23 45.651 44.467 1.184 1
1 255 . 12 1 1 A 23 23 GLY N N 23 117.638 108.322 9.316 1
1 256 . 12 1 1 A 24 24 GLY H H 24 8.906 8.693 0.213 1
1 257 . 12 1 1 A 24 24 GLY HA2 H 24 3.451 3.903 -0.452 1
1 258 . 12 1 1 A 24 24 GLY HA3 H 24 4.722 3.910 0.812 1
1 259 . 12 1 1 A 24 24 GLY C C 24 175.467 175.126 0.341 1
1 260 . 12 1 1 A 24 24 GLY CA C 24 45.165 45.726 -0.561 1
1 261 . 12 1 1 A 24 24 GLY N N 24 109.634 108.760 0.874 1
1 262 . 12 1 1 A 25 25 CYS H H 25 7.599 7.382 0.217 1
1 263 . 12 1 1 A 25 25 CYS HA H 25 4.450 4.358 0.092 1
1 266 . 12 1 1 A 25 25 CYS C C 25 175.747 175.298 0.449 1
1 267 . 12 1 1 A 25 25 CYS CA C 25 60.192 60.397 -0.205 1
1 268 . 12 1 1 A 25 25 CYS CB C 25 30.266 28.570 1.696 1
1 269 . 12 1 1 A 25 25 CYS N N 25 119.707 117.679 2.028 1
1 270 . 12 1 1 A 26 26 ASP H H 26 8.156 8.062 0.094 1
1 271 . 12 1 1 A 26 26 ASP HA H 26 4.364 4.197 0.167 1
1 274 . 12 1 1 A 26 26 ASP C C 26 175.426 174.796 0.630 1
1 275 . 12 1 1 A 26 26 ASP CA C 26 56.106 54.804 1.302 1
1 276 . 12 1 1 A 26 26 ASP CB C 26 40.889 38.498 2.391 1
1 277 . 12 1 1 A 26 26 ASP N N 26 118.432 120.826 -2.394 1
1 278 . 12 1 1 A 27 27 GLU H H 27 9.181 7.497 1.684 1
1 279 . 12 1 1 A 27 27 GLU HA H 27 4.379 4.761 -0.382 1
1 284 . 12 1 1 A 27 27 GLU C C 27 175.329 174.758 0.571 1
1 285 . 12 1 1 A 27 27 GLU CA C 27 58.179 54.567 3.612 1
1 286 . 12 1 1 A 27 27 GLU CB C 27 30.604 32.364 -1.760 1
1 288 . 12 1 1 A 27 27 GLU N N 27 122.798 118.019 4.779 1
1 289 . 12 1 1 A 28 28 TRP H H 28 8.472 8.751 -0.279 1
1 290 . 12 1 1 A 28 28 TRP HA H 28 4.934 5.698 -0.764 1
1 299 . 12 1 1 A 28 28 TRP C C 28 175.838 175.614 0.224 1
1 300 . 12 1 1 A 28 28 TRP CA C 28 57.313 55.387 1.926 1
1 301 . 12 1 1 A 28 28 TRP CB C 28 31.956 30.904 1.052 1
1 307 . 12 1 1 A 28 28 TRP N N 28 117.567 119.381 -1.814 1
1 309 . 12 1 1 A 29 29 PHE H H 29 9.792 9.455 0.337 1
1 310 . 12 1 1 A 29 29 PHE HA H 29 4.865 5.217 -0.352 1
1 316 . 12 1 1 A 29 29 PHE C C 29 176.573 174.825 1.748 1
1 317 . 12 1 1 A 29 29 PHE CA C 29 56.788 56.229 0.559 1
1 318 . 12 1 1 A 29 29 PHE CB C 29 42.755 43.588 -0.833 1
1 322 . 12 1 1 A 29 29 PHE N N 29 120.754 120.986 -0.232 1
1 323 . 12 1 1 A 30 30 HIS H H 30 9.889 8.535 1.354 1
1 324 . 12 1 1 A 30 30 HIS HA H 30 4.383 4.978 -0.595 1
1 328 . 12 1 1 A 30 30 HIS C C 30 177.229 176.065 1.164 1
1 329 . 12 1 1 A 30 30 HIS CA C 30 57.127 55.004 2.123 1
1 330 . 12 1 1 A 30 30 HIS CB C 30 29.589 31.924 -2.335 1
1 332 . 12 1 1 A 30 30 HIS N N 30 124.925 118.204 6.721 1
1 333 . 12 1 1 A 31 31 GLN H H 31 8.636 9.070 -0.434 1
1 334 . 12 1 1 A 31 31 GLN HA H 31 3.563 3.820 -0.257 1
1 341 . 12 1 1 A 31 31 GLN C C 31 178.836 177.951 0.885 1
1 342 . 12 1 1 A 31 31 GLN CA C 31 60.702 59.795 0.907 1
1 343 . 12 1 1 A 31 31 GLN CB C 31 26.688 28.394 -1.706 1
1 345 . 12 1 1 A 31 31 GLN N N 31 124.356 123.054 1.302 1
1 347 . 12 1 1 A 32 32 VAL H H 32 8.975 7.949 1.026 1
1 348 . 12 1 1 A 32 32 VAL HA H 32 4.096 3.887 0.209 1
1 356 . 12 1 1 A 32 32 VAL CA C 32 64.568 64.603 -0.035 1
1 357 . 12 1 1 A 32 32 VAL CB C 32 31.689 31.397 0.292 1
1 360 . 12 1 1 A 32 32 VAL N N 32 114.507 115.525 -1.018 1
1 361 . 12 1 1 A 33 33 CYS H H 33 6.770 7.679 -0.909 1
1 362 . 12 1 1 A 33 33 CYS HA H 33 4.139 4.321 -0.182 1
1 365 . 12 1 1 A 33 33 CYS C C 33 177.175 175.609 1.566 1
1 366 . 12 1 1 A 33 33 CYS CA C 33 62.799 61.323 1.476 1
1 367 . 12 1 1 A 33 33 CYS CB C 33 29.256 27.770 1.486 1
1 368 . 12 1 1 A 33 33 CYS N N 33 120.275 119.994 0.281 1
1 369 . 12 1 1 A 34 34 VAL H H 34 7.144 7.464 -0.320 1
1 370 . 12 1 1 A 34 34 VAL HA H 34 4.599 4.224 0.375 1
1 378 . 12 1 1 A 34 34 VAL C C 34 176.099 175.967 0.132 1
1 379 . 12 1 1 A 34 34 VAL CA C 34 60.218 62.049 -1.831 1
1 380 . 12 1 1 A 34 34 VAL CB C 34 31.918 31.718 0.200 1
1 383 . 12 1 1 A 34 34 VAL N N 34 106.458 119.390 -12.932 1
1 384 . 12 1 1 A 35 35 GLY H H 35 7.519 7.857 -0.338 1
1 385 . 12 1 1 A 35 35 GLY HA2 H 35 3.897 3.921 -0.024 1
1 386 . 12 1 1 A 35 35 GLY HA3 H 35 3.954 3.938 0.016 1
1 387 . 12 1 1 A 35 35 GLY C C 35 174.669 174.618 0.051 1
1 388 . 12 1 1 A 35 35 GLY CA C 35 47.173 46.863 0.310 1
1 389 . 12 1 1 A 35 35 GLY N N 35 110.261 111.323 -1.062 1
1 390 . 12 1 1 A 36 36 VAL H H 36 7.556 8.357 -0.801 1
1 391 . 12 1 1 A 36 36 VAL HA H 36 4.480 4.115 0.365 1
1 399 . 12 1 1 A 36 36 VAL C C 36 174.103 175.065 -0.962 1
1 400 . 12 1 1 A 36 36 VAL CA C 36 60.273 61.341 -1.068 1
1 401 . 12 1 1 A 36 36 VAL CB C 36 34.388 32.939 1.449 1
1 404 . 12 1 1 A 36 36 VAL N N 36 117.579 120.220 -2.641 1
1 405 . 12 1 1 A 37 37 SER H H 37 8.097 8.621 -0.524 1
1 406 . 12 1 1 A 37 37 SER HA H 37 4.846 4.983 -0.137 1
1 409 . 12 1 1 A 37 37 SER CA C 37 55.675 55.413 0.262 1
1 410 . 12 1 1 A 37 37 SER CB C 37 63.614 64.570 -0.956 1
1 411 . 12 1 1 A 37 37 SER N N 37 122.439 120.964 1.475 1
1 412 . 12 1 1 A 38 38 PRO HA H 38 4.467 4.250 0.217 1
1 418 . 12 1 1 A 38 38 PRO C C 38 179.393 178.163 1.230 1
1 419 . 12 1 1 A 38 38 PRO CA C 38 65.685 65.646 0.039 1
1 420 . 12 1 1 A 38 38 PRO CB C 38 32.027 31.743 0.284 1
1 423 . 12 1 1 A 39 39 GLU H H 39 8.536 8.370 0.166 1
1 424 . 12 1 1 A 39 39 GLU HA H 39 4.080 4.122 -0.042 1
1 429 . 12 1 1 A 39 39 GLU C C 39 178.722 178.818 -0.096 1
1 430 . 12 1 1 A 39 39 GLU CA C 39 59.711 59.400 0.311 1
1 431 . 12 1 1 A 39 39 GLU CB C 39 28.947 29.001 -0.054 1
1 433 . 12 1 1 A 39 39 GLU N N 39 116.083 117.416 -1.333 1
1 434 . 12 1 1 A 40 40 MET H H 40 7.578 8.390 -0.812 1
1 435 . 12 1 1 A 40 40 MET HA H 40 4.224 4.192 0.032 1
1 439 . 12 1 1 A 40 40 MET C C 40 178.433 178.257 0.176 1
1 440 . 12 1 1 A 40 40 MET CA C 40 58.112 58.530 -0.418 1
1 441 . 12 1 1 A 40 40 MET CB C 40 33.685 33.212 0.473 1
1 443 . 12 1 1 A 40 40 MET N N 40 119.520 118.642 0.878 1
1 444 . 12 1 1 A 41 41 ALA H H 41 8.324 7.511 0.813 1
1 445 . 12 1 1 A 41 41 ALA HA H 41 3.975 4.162 -0.187 1
1 449 . 12 1 1 A 41 41 ALA C C 41 177.857 178.654 -0.797 1
1 450 . 12 1 1 A 41 41 ALA CA C 41 54.797 54.244 0.553 1
1 451 . 12 1 1 A 41 41 ALA CB C 41 18.982 18.309 0.673 1
1 452 . 12 1 1 A 41 41 ALA N N 41 121.259 121.337 -0.078 1
1 453 . 12 1 1 A 42 42 GLU H H 42 7.833 7.942 -0.109 1
1 454 . 12 1 1 A 42 42 GLU HA H 42 4.273 4.245 0.028 1
1 458 . 12 1 1 A 42 42 GLU C C 42 178.431 177.294 1.137 1
1 459 . 12 1 1 A 42 42 GLU CA C 42 58.268 58.132 0.136 1
1 460 . 12 1 1 A 42 42 GLU CB C 42 30.338 30.033 0.305 1
1 462 . 12 1 1 A 42 42 GLU N N 42 112.040 117.137 -5.097 1
1 463 . 12 1 1 A 43 43 ASN H H 43 7.688 7.633 0.055 1
1 464 . 12 1 1 A 43 43 ASN HA H 43 4.764 4.821 -0.057 1
1 469 . 12 1 1 A 43 43 ASN C C 43 174.879 175.298 -0.419 1
1 470 . 12 1 1 A 43 43 ASN CA C 43 54.854 54.606 0.248 1
1 471 . 12 1 1 A 43 43 ASN CB C 43 41.148 40.416 0.732 1
1 472 . 12 1 1 A 43 43 ASN N N 43 113.488 116.753 -3.265 1
1 474 . 12 1 1 A 44 44 GLU H H 44 7.861 7.993 -0.132 1
1 475 . 12 1 1 A 44 44 GLU HA H 44 4.777 4.818 -0.041 1
1 480 . 12 1 1 A 44 44 GLU C C 44 176.482 175.908 0.574 1
1 481 . 12 1 1 A 44 44 GLU CA C 44 54.576 54.615 -0.039 1
1 482 . 12 1 1 A 44 44 GLU CB C 44 32.781 34.517 -1.736 1
1 484 . 12 1 1 A 44 44 GLU N N 44 118.109 117.148 0.961 1
1 485 . 12 1 1 A 45 45 ASP H H 45 8.707 8.572 0.135 1
1 486 . 12 1 1 A 45 45 ASP HA H 45 4.755 4.715 0.040 1
1 488 . 12 1 1 A 45 45 ASP C C 45 176.643 175.273 1.370 1
1 489 . 12 1 1 A 45 45 ASP CA C 45 54.764 54.885 -0.121 1
1 490 . 12 1 1 A 45 45 ASP CB C 45 40.807 40.933 -0.126 1
1 491 . 12 1 1 A 45 45 ASP N N 45 123.334 122.605 0.729 1
1 492 . 12 1 1 A 46 46 TYR H H 46 9.868 8.653 1.215 1
1 493 . 12 1 1 A 46 46 TYR HA H 46 4.671 5.312 -0.641 1
1 498 . 12 1 1 A 46 46 TYR C C 46 172.045 174.098 -2.053 1
1 499 . 12 1 1 A 46 46 TYR CA C 46 58.409 56.218 2.191 1
1 500 . 12 1 1 A 46 46 TYR CB C 46 40.085 41.499 -1.414 1
1 503 . 12 1 1 A 46 46 TYR N N 46 124.561 124.904 -0.343 1
1 504 . 12 1 1 A 47 47 ILE H H 47 7.520 8.659 -1.139 1
1 505 . 12 1 1 A 47 47 ILE HA H 47 4.344 4.400 -0.056 1
1 515 . 12 1 1 A 47 47 ILE C C 47 174.691 175.586 -0.895 1
1 516 . 12 1 1 A 47 47 ILE CA C 47 58.279 59.738 -1.459 1
1 517 . 12 1 1 A 47 47 ILE CB C 47 37.652 39.844 -2.192 1
1 521 . 12 1 1 A 47 47 ILE N N 47 128.737 127.056 1.681 1
1 522 . 12 1 1 A 48 48 CYS H H 48 9.142 8.440 0.702 1
1 523 . 12 1 1 A 48 48 CYS HA H 48 4.126 4.309 -0.183 1
1 526 . 12 1 1 A 48 48 CYS C C 48 175.153 176.215 -1.062 1
1 527 . 12 1 1 A 48 48 CYS CA C 48 58.302 57.831 0.471 1
1 528 . 12 1 1 A 48 48 CYS CB C 48 32.494 29.537 2.957 1
1 529 . 12 1 1 A 48 48 CYS N N 48 130.912 127.113 3.799 1
1 530 . 12 1 1 A 49 49 ILE H H 49 7.748 8.625 -0.877 1
1 531 . 12 1 1 A 49 49 ILE HA H 49 3.956 3.780 0.176 1
1 541 . 12 1 1 A 49 49 ILE C C 49 177.115 177.586 -0.471 1
1 542 . 12 1 1 A 49 49 ILE CA C 49 63.096 63.890 -0.794 1
1 543 . 12 1 1 A 49 49 ILE CB C 49 38.630 37.707 0.923 1
1 547 . 12 1 1 A 49 49 ILE N N 49 113.518 118.615 -5.097 1
1 548 . 12 1 1 A 50 50 ASN H H 50 8.859 8.295 0.564 1
1 549 . 12 1 1 A 50 50 ASN HA H 50 4.709 4.498 0.211 1
1 554 . 12 1 1 A 50 50 ASN C C 50 176.868 176.924 -0.056 1
1 555 . 12 1 1 A 50 50 ASN CA C 50 55.433 55.824 -0.391 1
1 556 . 12 1 1 A 50 50 ASN CB C 50 39.690 38.554 1.136 1
1 557 . 12 1 1 A 50 50 ASN N N 50 121.721 119.645 2.076 1
1 559 . 12 1 1 A 51 51 CYS H H 51 8.213 7.463 0.750 1
1 560 . 12 1 1 A 51 51 CYS HA H 51 4.113 4.521 -0.408 1
1 563 . 12 1 1 A 51 51 CYS C C 51 174.832 174.501 0.331 1
1 564 . 12 1 1 A 51 51 CYS CA C 51 62.048 58.301 3.747 1
1 565 . 12 1 1 A 51 51 CYS CB C 51 31.516 27.370 4.146 1
1 566 . 12 1 1 A 51 51 CYS N N 51 123.810 115.300 8.510 1
1 3 . 13 1 1 A 2 2 VAL H H 2 8.368 8.093 0.275 1
1 4 . 13 1 1 A 2 2 VAL HA H 2 5.250 4.697 0.553 1
1 12 . 13 1 1 A 2 2 VAL C C 2 176.070 174.915 1.155 1
1 13 . 13 1 1 A 2 2 VAL CA C 2 60.705 60.922 -0.217 1
1 14 . 13 1 1 A 2 2 VAL CB C 2 34.398 34.462 -0.064 1
1 17 . 13 1 1 A 2 2 VAL N N 2 119.964 117.922 2.042 1
1 18 . 13 1 1 A 3 3 CYS H H 3 9.183 9.273 -0.090 1
1 19 . 13 1 1 A 3 3 CYS HA H 3 5.172 5.164 0.008 1
1 22 . 13 1 1 A 3 3 CYS C C 3 173.772 173.831 -0.059 1
1 23 . 13 1 1 A 3 3 CYS CA C 3 56.558 56.169 0.389 1
1 24 . 13 1 1 A 3 3 CYS CB C 3 32.206 31.003 1.203 1
1 25 . 13 1 1 A 3 3 CYS N N 3 128.120 124.749 3.371 1
1 26 . 13 1 1 A 4 4 ALA H H 4 7.110 8.996 -1.886 1
1 27 . 13 1 1 A 4 4 ALA HA H 4 4.234 4.690 -0.456 1
1 31 . 13 1 1 A 4 4 ALA C C 4 177.661 176.224 1.437 1
1 32 . 13 1 1 A 4 4 ALA CA C 4 52.987 51.272 1.715 1
1 33 . 13 1 1 A 4 4 ALA CB C 4 19.004 17.876 1.128 1
1 34 . 13 1 1 A 4 4 ALA N N 4 117.697 123.654 -5.957 1
1 35 . 13 1 1 A 5 5 ALA H H 5 9.154 7.527 1.627 1
1 36 . 13 1 1 A 5 5 ALA HA H 5 4.565 4.716 -0.151 1
1 40 . 13 1 1 A 5 5 ALA C C 5 177.851 177.860 -0.009 1
1 41 . 13 1 1 A 5 5 ALA CA C 5 53.029 50.708 2.321 1
1 42 . 13 1 1 A 5 5 ALA CB C 5 19.533 20.543 -1.010 1
1 43 . 13 1 1 A 5 5 ALA N N 5 125.563 122.785 2.778 1
1 44 . 13 1 1 A 6 6 GLN H H 6 8.946 8.718 0.228 1
1 45 . 13 1 1 A 6 6 GLN HA H 6 4.098 4.017 0.081 1
1 52 . 13 1 1 A 6 6 GLN C C 6 176.708 176.894 -0.186 1
1 53 . 13 1 1 A 6 6 GLN CA C 6 58.555 59.598 -1.043 1
1 54 . 13 1 1 A 6 6 GLN CB C 6 28.397 28.666 -0.269 1
1 56 . 13 1 1 A 6 6 GLN N N 6 122.944 123.285 -0.341 1
1 58 . 13 1 1 A 7 7 ASN H H 7 8.399 7.762 0.637 1
1 59 . 13 1 1 A 7 7 ASN HA H 7 4.848 4.901 -0.053 1
1 64 . 13 1 1 A 7 7 ASN C C 7 173.923 174.021 -0.098 1
1 65 . 13 1 1 A 7 7 ASN CA C 7 51.808 51.620 0.188 1
1 66 . 13 1 1 A 7 7 ASN CB C 7 37.850 38.145 -0.295 1
1 67 . 13 1 1 A 7 7 ASN N N 7 115.700 116.475 -0.775 1
1 69 . 13 1 1 A 8 8 CYS H H 8 7.655 8.752 -1.097 1
1 70 . 13 1 1 A 8 8 CYS HA H 8 4.947 5.253 -0.306 1
1 73 . 13 1 1 A 8 8 CYS C C 8 177.267 173.744 3.523 1
1 74 . 13 1 1 A 8 8 CYS CA C 8 59.479 57.584 1.895 1
1 75 . 13 1 1 A 8 8 CYS CB C 8 29.085 30.050 -0.965 1
1 76 . 13 1 1 A 8 8 CYS N N 8 122.410 124.221 -1.811 1
1 77 . 13 1 1 A 9 9 GLN H H 9 9.901 8.742 1.159 1
1 78 . 13 1 1 A 9 9 GLN HA H 9 4.193 4.867 -0.674 1
1 85 . 13 1 1 A 9 9 GLN C C 9 175.088 174.794 0.294 1
1 86 . 13 1 1 A 9 9 GLN CA C 9 56.730 54.292 2.438 1
1 87 . 13 1 1 A 9 9 GLN CB C 9 28.833 31.814 -2.981 1
1 89 . 13 1 1 A 9 9 GLN N N 9 133.116 125.328 7.788 1
1 91 . 13 1 1 A 10 10 ARG H H 10 10.013 8.777 1.236 1
1 92 . 13 1 1 A 10 10 ARG HA H 10 4.138 4.640 -0.502 1
1 98 . 13 1 1 A 10 10 ARG CA C 10 55.426 52.634 2.792 1
1 99 . 13 1 1 A 10 10 ARG CB C 10 28.647 30.568 -1.921 1
1 102 . 13 1 1 A 10 10 ARG N N 10 121.692 123.876 -2.184 1
1 103 . 13 1 1 A 11 11 PRO HA H 11 4.178 4.212 -0.034 1
1 110 . 13 1 1 A 11 11 PRO C C 11 177.355 177.391 -0.036 1
1 111 . 13 1 1 A 11 11 PRO CA C 11 63.005 65.793 -2.788 1
1 112 . 13 1 1 A 11 11 PRO CB C 11 31.662 31.428 0.234 1
1 115 . 13 1 1 A 12 12 CYS H H 12 8.662 7.912 0.750 1
1 116 . 13 1 1 A 12 12 CYS HA H 12 4.629 4.143 0.486 1
1 119 . 13 1 1 A 12 12 CYS C C 12 173.972 173.976 -0.004 1
1 120 . 13 1 1 A 12 12 CYS CA C 12 58.103 60.425 -2.322 1
1 121 . 13 1 1 A 12 12 CYS CB C 12 27.951 26.462 1.489 1
1 122 . 13 1 1 A 12 12 CYS N N 12 120.690 114.550 6.140 1
1 123 . 13 1 1 A 13 13 LYS H H 13 7.138 7.896 -0.758 1
1 124 . 13 1 1 A 13 13 LYS HA H 13 4.406 4.335 0.071 1
1 131 . 13 1 1 A 13 13 LYS C C 13 174.846 177.576 -2.730 1
1 132 . 13 1 1 A 13 13 LYS CA C 13 55.401 55.657 -0.256 1
1 133 . 13 1 1 A 13 13 LYS CB C 13 34.650 33.719 0.931 1
1 137 . 13 1 1 A 13 13 LYS N N 13 121.573 119.770 1.803 1
1 138 . 13 1 1 A 14 14 ASP H H 14 8.395 8.692 -0.297 1
1 139 . 13 1 1 A 14 14 ASP HA H 14 4.301 4.375 -0.074 1
1 142 . 13 1 1 A 14 14 ASP C C 14 176.114 176.857 -0.743 1
1 143 . 13 1 1 A 14 14 ASP CA C 14 57.107 57.209 -0.102 1
1 144 . 13 1 1 A 14 14 ASP CB C 14 40.801 41.228 -0.427 1
1 145 . 13 1 1 A 14 14 ASP N N 14 118.919 120.686 -1.767 1
1 146 . 13 1 1 A 15 15 LYS H H 15 7.593 7.905 -0.312 1
1 147 . 13 1 1 A 15 15 LYS HA H 15 4.818 4.786 0.032 1
1 155 . 13 1 1 A 15 15 LYS C C 15 175.145 176.044 -0.899 1
1 156 . 13 1 1 A 15 15 LYS CA C 15 55.491 55.703 -0.212 1
1 157 . 13 1 1 A 15 15 LYS CB C 15 34.485 34.011 0.474 1
1 161 . 13 1 1 A 15 15 LYS N N 15 117.259 117.834 -0.575 1
1 162 . 13 1 1 A 16 16 VAL H H 16 8.811 8.980 -0.169 1
1 163 . 13 1 1 A 16 16 VAL HA H 16 4.083 4.885 -0.802 1
1 171 . 13 1 1 A 16 16 VAL C C 16 174.356 173.810 0.546 1
1 172 . 13 1 1 A 16 16 VAL CA C 16 61.679 59.400 2.279 1
1 173 . 13 1 1 A 16 16 VAL CB C 16 34.315 35.773 -1.458 1
1 176 . 13 1 1 A 16 16 VAL N N 16 123.375 117.631 5.744 1
1 177 . 13 1 1 A 17 17 ASP H H 17 7.938 8.689 -0.751 1
1 178 . 13 1 1 A 17 17 ASP HA H 17 5.639 5.482 0.157 1
1 181 . 13 1 1 A 17 17 ASP C C 17 177.550 175.347 2.203 1
1 182 . 13 1 1 A 17 17 ASP CA C 17 54.991 53.010 1.981 1
1 183 . 13 1 1 A 17 17 ASP CB C 17 43.020 43.361 -0.341 1
1 184 . 13 1 1 A 17 17 ASP N N 17 124.698 122.840 1.858 1
1 185 . 13 1 1 A 18 18 TRP H H 18 9.636 9.144 0.492 1
1 186 . 13 1 1 A 18 18 TRP HA H 18 5.793 5.957 -0.164 1
1 195 . 13 1 1 A 18 18 TRP C C 18 176.051 175.410 0.641 1
1 196 . 13 1 1 A 18 18 TRP CA C 18 56.881 56.101 0.780 1
1 197 . 13 1 1 A 18 18 TRP CB C 18 34.097 34.355 -0.258 1
1 203 . 13 1 1 A 18 18 TRP N N 18 123.330 121.635 1.695 1
1 205 . 13 1 1 A 19 19 VAL H H 19 10.592 9.140 1.452 1
1 206 . 13 1 1 A 19 19 VAL HA H 19 5.409 4.984 0.425 1
1 214 . 13 1 1 A 19 19 VAL C C 19 170.168 173.419 -3.251 1
1 215 . 13 1 1 A 19 19 VAL CA C 19 60.297 60.679 -0.382 1
1 216 . 13 1 1 A 19 19 VAL CB C 19 36.269 36.171 0.098 1
1 219 . 13 1 1 A 19 19 VAL N N 19 122.558 120.938 1.620 1
1 220 . 13 1 1 A 20 20 GLN H H 20 8.359 8.754 -0.395 1
1 221 . 13 1 1 A 20 20 GLN HA H 20 4.728 4.511 0.217 1
1 228 . 13 1 1 A 20 20 GLN C C 20 176.280 175.008 1.272 1
1 229 . 13 1 1 A 20 20 GLN CA C 20 53.251 53.102 0.149 1
1 230 . 13 1 1 A 20 20 GLN CB C 20 28.640 31.340 -2.700 1
1 232 . 13 1 1 A 20 20 GLN N N 20 132.425 125.801 6.624 1
1 234 . 13 1 1 A 21 21 CYS H H 21 8.618 8.475 0.143 1
1 235 . 13 1 1 A 21 21 CYS HA H 21 4.601 4.983 -0.382 1
1 238 . 13 1 1 A 21 21 CYS C C 21 177.580 175.403 2.177 1
1 239 . 13 1 1 A 21 21 CYS CA C 21 61.339 59.501 1.838 1
1 240 . 13 1 1 A 21 21 CYS CB C 21 32.597 28.555 4.042 1
1 241 . 13 1 1 A 21 21 CYS N N 21 128.017 124.863 3.154 1
1 242 . 13 1 1 A 22 22 ASP H H 22 10.211 9.434 0.777 1
1 243 . 13 1 1 A 22 22 ASP HA H 22 4.926 4.836 0.090 1
1 246 . 13 1 1 A 22 22 ASP C C 22 177.366 177.093 0.273 1
1 247 . 13 1 1 A 22 22 ASP CA C 22 56.782 54.152 2.630 1
1 248 . 13 1 1 A 22 22 ASP CB C 22 43.715 41.346 2.369 1
1 249 . 13 1 1 A 22 22 ASP N N 22 128.881 126.083 2.798 1
1 250 . 13 1 1 A 23 23 GLY H H 23 11.136 7.534 3.602 1
1 251 . 13 1 1 A 23 23 GLY HA2 H 23 3.556 3.933 -0.377 1
1 252 . 13 1 1 A 23 23 GLY HA3 H 23 4.026 3.944 0.082 1
1 253 . 13 1 1 A 23 23 GLY C C 23 173.584 174.390 -0.806 1
1 254 . 13 1 1 A 23 23 GLY CA C 23 45.651 45.254 0.397 1
1 255 . 13 1 1 A 23 23 GLY N N 23 117.638 107.507 10.131 1
1 256 . 13 1 1 A 24 24 GLY H H 24 8.906 7.791 1.115 1
1 257 . 13 1 1 A 24 24 GLY HA2 H 24 3.451 3.988 -0.537 1
1 258 . 13 1 1 A 24 24 GLY HA3 H 24 4.722 3.990 0.732 1
1 259 . 13 1 1 A 24 24 GLY C C 24 175.467 174.967 0.500 1
1 260 . 13 1 1 A 24 24 GLY CA C 24 45.165 45.241 -0.076 1
1 261 . 13 1 1 A 24 24 GLY N N 24 109.634 107.856 1.778 1
1 262 . 13 1 1 A 25 25 CYS H H 25 7.599 7.828 -0.229 1
1 263 . 13 1 1 A 25 25 CYS HA H 25 4.450 4.343 0.107 1
1 266 . 13 1 1 A 25 25 CYS C C 25 175.747 174.635 1.112 1
1 267 . 13 1 1 A 25 25 CYS CA C 25 60.192 60.304 -0.112 1
1 268 . 13 1 1 A 25 25 CYS CB C 25 30.266 28.555 1.711 1
1 269 . 13 1 1 A 25 25 CYS N N 25 119.707 118.946 0.761 1
1 270 . 13 1 1 A 26 26 ASP H H 26 8.156 7.998 0.158 1
1 271 . 13 1 1 A 26 26 ASP HA H 26 4.364 4.227 0.137 1
1 274 . 13 1 1 A 26 26 ASP C C 26 175.426 174.531 0.895 1
1 275 . 13 1 1 A 26 26 ASP CA C 26 56.106 55.321 0.785 1
1 276 . 13 1 1 A 26 26 ASP CB C 26 40.889 39.132 1.757 1
1 277 . 13 1 1 A 26 26 ASP N N 26 118.432 117.994 0.438 1
1 278 . 13 1 1 A 27 27 GLU H H 27 9.181 7.823 1.358 1
1 279 . 13 1 1 A 27 27 GLU HA H 27 4.379 4.794 -0.415 1
1 284 . 13 1 1 A 27 27 GLU C C 27 175.329 175.513 -0.184 1
1 285 . 13 1 1 A 27 27 GLU CA C 27 58.179 54.783 3.396 1
1 286 . 13 1 1 A 27 27 GLU CB C 27 30.604 31.915 -1.311 1
1 288 . 13 1 1 A 27 27 GLU N N 27 122.798 116.823 5.975 1
1 289 . 13 1 1 A 28 28 TRP H H 28 8.472 8.955 -0.483 1
1 290 . 13 1 1 A 28 28 TRP HA H 28 4.934 5.491 -0.557 1
1 299 . 13 1 1 A 28 28 TRP C C 28 175.838 176.270 -0.432 1
1 300 . 13 1 1 A 28 28 TRP CA C 28 57.313 55.511 1.802 1
1 301 . 13 1 1 A 28 28 TRP CB C 28 31.956 30.636 1.320 1
1 307 . 13 1 1 A 28 28 TRP N N 28 117.567 120.285 -2.718 1
1 309 . 13 1 1 A 29 29 PHE H H 29 9.792 9.041 0.751 1
1 310 . 13 1 1 A 29 29 PHE HA H 29 4.865 5.412 -0.547 1
1 316 . 13 1 1 A 29 29 PHE C C 29 176.573 172.782 3.791 1
1 317 . 13 1 1 A 29 29 PHE CA C 29 56.788 55.334 1.454 1
1 318 . 13 1 1 A 29 29 PHE CB C 29 42.755 41.861 0.894 1
1 322 . 13 1 1 A 29 29 PHE N N 29 120.754 119.285 1.469 1
1 323 . 13 1 1 A 30 30 HIS H H 30 9.889 8.516 1.373 1
1 324 . 13 1 1 A 30 30 HIS HA H 30 4.383 5.109 -0.726 1
1 328 . 13 1 1 A 30 30 HIS C C 30 177.229 176.244 0.985 1
1 329 . 13 1 1 A 30 30 HIS CA C 30 57.127 55.066 2.061 1
1 330 . 13 1 1 A 30 30 HIS CB C 30 29.589 31.795 -2.206 1
1 332 . 13 1 1 A 30 30 HIS N N 30 124.925 117.122 7.803 1
1 333 . 13 1 1 A 31 31 GLN H H 31 8.636 9.075 -0.439 1
1 334 . 13 1 1 A 31 31 GLN HA H 31 3.563 3.856 -0.293 1
1 341 . 13 1 1 A 31 31 GLN C C 31 178.836 178.014 0.822 1
1 342 . 13 1 1 A 31 31 GLN CA C 31 60.702 59.755 0.947 1
1 343 . 13 1 1 A 31 31 GLN CB C 31 26.688 28.321 -1.633 1
1 345 . 13 1 1 A 31 31 GLN N N 31 124.356 122.922 1.434 1
1 347 . 13 1 1 A 32 32 VAL H H 32 8.975 7.940 1.035 1
1 348 . 13 1 1 A 32 32 VAL HA H 32 4.096 3.885 0.211 1
1 356 . 13 1 1 A 32 32 VAL CA C 32 64.568 64.620 -0.052 1
1 357 . 13 1 1 A 32 32 VAL CB C 32 31.689 31.419 0.270 1
1 360 . 13 1 1 A 32 32 VAL N N 32 114.507 115.311 -0.804 1
1 361 . 13 1 1 A 33 33 CYS H H 33 6.770 7.660 -0.890 1
1 362 . 13 1 1 A 33 33 CYS HA H 33 4.139 4.309 -0.170 1
1 365 . 13 1 1 A 33 33 CYS C C 33 177.175 175.490 1.685 1
1 366 . 13 1 1 A 33 33 CYS CA C 33 62.799 61.159 1.640 1
1 367 . 13 1 1 A 33 33 CYS CB C 33 29.256 27.934 1.322 1
1 368 . 13 1 1 A 33 33 CYS N N 33 120.275 119.764 0.511 1
1 369 . 13 1 1 A 34 34 VAL H H 34 7.144 7.496 -0.352 1
1 370 . 13 1 1 A 34 34 VAL HA H 34 4.599 4.280 0.319 1
1 378 . 13 1 1 A 34 34 VAL C C 34 176.099 176.011 0.088 1
1 379 . 13 1 1 A 34 34 VAL CA C 34 60.218 61.835 -1.617 1
1 380 . 13 1 1 A 34 34 VAL CB C 34 31.918 31.968 -0.050 1
1 383 . 13 1 1 A 34 34 VAL N N 34 106.458 119.703 -13.245 1
1 384 . 13 1 1 A 35 35 GLY H H 35 7.519 7.898 -0.379 1
1 385 . 13 1 1 A 35 35 GLY HA2 H 35 3.897 3.937 -0.040 1
1 386 . 13 1 1 A 35 35 GLY HA3 H 35 3.954 3.955 -0.001 1
1 387 . 13 1 1 A 35 35 GLY C C 35 174.669 174.560 0.109 1
1 388 . 13 1 1 A 35 35 GLY CA C 35 47.173 46.927 0.246 1
1 389 . 13 1 1 A 35 35 GLY N N 35 110.261 111.321 -1.060 1
1 390 . 13 1 1 A 36 36 VAL H H 36 7.556 8.251 -0.695 1
1 391 . 13 1 1 A 36 36 VAL HA H 36 4.480 4.304 0.176 1
1 399 . 13 1 1 A 36 36 VAL C C 36 174.103 175.713 -1.610 1
1 400 . 13 1 1 A 36 36 VAL CA C 36 60.273 60.869 -0.596 1
1 401 . 13 1 1 A 36 36 VAL CB C 36 34.388 33.368 1.020 1
1 404 . 13 1 1 A 36 36 VAL N N 36 117.579 119.761 -2.182 1
1 405 . 13 1 1 A 37 37 SER H H 37 8.097 8.506 -0.409 1
1 406 . 13 1 1 A 37 37 SER HA H 37 4.846 5.025 -0.179 1
1 409 . 13 1 1 A 37 37 SER CA C 37 55.675 54.998 0.677 1
1 410 . 13 1 1 A 37 37 SER CB C 37 63.614 64.465 -0.851 1
1 411 . 13 1 1 A 37 37 SER N N 37 122.439 118.452 3.987 1
1 412 . 13 1 1 A 38 38 PRO HA H 38 4.467 4.264 0.203 1
1 418 . 13 1 1 A 38 38 PRO C C 38 179.393 178.679 0.714 1
1 419 . 13 1 1 A 38 38 PRO CA C 38 65.685 65.612 0.073 1
1 420 . 13 1 1 A 38 38 PRO CB C 38 32.027 31.851 0.176 1
1 423 . 13 1 1 A 39 39 GLU H H 39 8.536 8.403 0.133 1
1 424 . 13 1 1 A 39 39 GLU HA H 39 4.080 4.050 0.030 1
1 429 . 13 1 1 A 39 39 GLU C C 39 178.722 179.483 -0.761 1
1 430 . 13 1 1 A 39 39 GLU CA C 39 59.711 59.758 -0.047 1
1 431 . 13 1 1 A 39 39 GLU CB C 39 28.947 29.238 -0.291 1
1 433 . 13 1 1 A 39 39 GLU N N 39 116.083 117.303 -1.220 1
1 434 . 13 1 1 A 40 40 MET H H 40 7.578 8.194 -0.616 1
1 435 . 13 1 1 A 40 40 MET HA H 40 4.224 4.202 0.022 1
1 439 . 13 1 1 A 40 40 MET C C 40 178.433 178.127 0.306 1
1 440 . 13 1 1 A 40 40 MET CA C 40 58.112 58.602 -0.490 1
1 441 . 13 1 1 A 40 40 MET CB C 40 33.685 33.060 0.625 1
1 443 . 13 1 1 A 40 40 MET N N 40 119.520 119.072 0.448 1
1 444 . 13 1 1 A 41 41 ALA H H 41 8.324 7.640 0.684 1
1 445 . 13 1 1 A 41 41 ALA HA H 41 3.975 4.032 -0.057 1
1 449 . 13 1 1 A 41 41 ALA C C 41 177.857 178.586 -0.729 1
1 450 . 13 1 1 A 41 41 ALA CA C 41 54.797 55.131 -0.334 1
1 451 . 13 1 1 A 41 41 ALA CB C 41 18.982 18.138 0.844 1
1 452 . 13 1 1 A 41 41 ALA N N 41 121.259 121.170 0.089 1
1 453 . 13 1 1 A 42 42 GLU H H 42 7.833 7.557 0.276 1
1 454 . 13 1 1 A 42 42 GLU HA H 42 4.273 4.206 0.067 1
1 458 . 13 1 1 A 42 42 GLU C C 42 178.431 178.982 -0.551 1
1 459 . 13 1 1 A 42 42 GLU CA C 42 58.268 58.560 -0.292 1
1 460 . 13 1 1 A 42 42 GLU CB C 42 30.338 29.565 0.773 1
1 462 . 13 1 1 A 42 42 GLU N N 42 112.040 117.424 -5.384 1
1 463 . 13 1 1 A 43 43 ASN H H 43 7.688 7.545 0.143 1
1 464 . 13 1 1 A 43 43 ASN HA H 43 4.764 4.639 0.125 1
1 469 . 13 1 1 A 43 43 ASN C C 43 174.879 174.934 -0.055 1
1 470 . 13 1 1 A 43 43 ASN CA C 43 54.854 55.096 -0.242 1
1 471 . 13 1 1 A 43 43 ASN CB C 43 41.148 39.777 1.371 1
1 472 . 13 1 1 A 43 43 ASN N N 43 113.488 118.115 -4.627 1
1 474 . 13 1 1 A 44 44 GLU H H 44 7.861 7.727 0.134 1
1 475 . 13 1 1 A 44 44 GLU HA H 44 4.777 4.803 -0.026 1
1 480 . 13 1 1 A 44 44 GLU C C 44 176.482 175.407 1.075 1
1 481 . 13 1 1 A 44 44 GLU CA C 44 54.576 54.419 0.157 1
1 482 . 13 1 1 A 44 44 GLU CB C 44 32.781 34.524 -1.743 1
1 484 . 13 1 1 A 44 44 GLU N N 44 118.109 115.217 2.892 1
1 485 . 13 1 1 A 45 45 ASP H H 45 8.707 8.513 0.194 1
1 486 . 13 1 1 A 45 45 ASP HA H 45 4.755 4.637 0.118 1
1 488 . 13 1 1 A 45 45 ASP C C 45 176.643 175.295 1.348 1
1 489 . 13 1 1 A 45 45 ASP CA C 45 54.764 54.767 -0.003 1
1 490 . 13 1 1 A 45 45 ASP CB C 45 40.807 40.944 -0.137 1
1 491 . 13 1 1 A 45 45 ASP N N 45 123.334 120.495 2.839 1
1 492 . 13 1 1 A 46 46 TYR H H 46 9.868 9.148 0.720 1
1 493 . 13 1 1 A 46 46 TYR HA H 46 4.671 5.349 -0.678 1
1 498 . 13 1 1 A 46 46 TYR C C 46 172.045 173.756 -1.711 1
1 499 . 13 1 1 A 46 46 TYR CA C 46 58.409 56.285 2.124 1
1 500 . 13 1 1 A 46 46 TYR CB C 46 40.085 41.945 -1.860 1
1 503 . 13 1 1 A 46 46 TYR N N 46 124.561 123.660 0.901 1
1 504 . 13 1 1 A 47 47 ILE H H 47 7.520 8.599 -1.079 1
1 505 . 13 1 1 A 47 47 ILE HA H 47 4.344 4.466 -0.122 1
1 515 . 13 1 1 A 47 47 ILE C C 47 174.691 175.375 -0.684 1
1 516 . 13 1 1 A 47 47 ILE CA C 47 58.279 59.819 -1.540 1
1 517 . 13 1 1 A 47 47 ILE CB C 47 37.652 40.283 -2.631 1
1 521 . 13 1 1 A 47 47 ILE N N 47 128.737 127.026 1.711 1
1 522 . 13 1 1 A 48 48 CYS H H 48 9.142 8.509 0.633 1
1 523 . 13 1 1 A 48 48 CYS HA H 48 4.126 4.190 -0.064 1
1 526 . 13 1 1 A 48 48 CYS C C 48 175.153 176.258 -1.105 1
1 527 . 13 1 1 A 48 48 CYS CA C 48 58.302 58.256 0.046 1
1 528 . 13 1 1 A 48 48 CYS CB C 48 32.494 29.312 3.182 1
1 529 . 13 1 1 A 48 48 CYS N N 48 130.912 126.960 3.952 1
1 530 . 13 1 1 A 49 49 ILE H H 49 7.748 8.617 -0.869 1
1 531 . 13 1 1 A 49 49 ILE HA H 49 3.956 3.758 0.198 1
1 541 . 13 1 1 A 49 49 ILE C C 49 177.115 177.343 -0.228 1
1 542 . 13 1 1 A 49 49 ILE CA C 49 63.096 63.531 -0.435 1
1 543 . 13 1 1 A 49 49 ILE CB C 49 38.630 37.671 0.959 1
1 547 . 13 1 1 A 49 49 ILE N N 49 113.518 119.194 -5.676 1
1 548 . 13 1 1 A 50 50 ASN H H 50 8.859 8.232 0.627 1
1 549 . 13 1 1 A 50 50 ASN HA H 50 4.709 4.506 0.203 1
1 554 . 13 1 1 A 50 50 ASN C C 50 176.868 176.663 0.205 1
1 555 . 13 1 1 A 50 50 ASN CA C 50 55.433 55.788 -0.355 1
1 556 . 13 1 1 A 50 50 ASN CB C 50 39.690 38.468 1.222 1
1 557 . 13 1 1 A 50 50 ASN N N 50 121.721 119.498 2.223 1
1 559 . 13 1 1 A 51 51 CYS H H 51 8.213 7.456 0.757 1
1 560 . 13 1 1 A 51 51 CYS HA H 51 4.113 4.469 -0.356 1
1 563 . 13 1 1 A 51 51 CYS C C 51 174.832 174.540 0.292 1
1 564 . 13 1 1 A 51 51 CYS CA C 51 62.048 58.461 3.587 1
1 565 . 13 1 1 A 51 51 CYS CB C 51 31.516 27.558 3.958 1
1 566 . 13 1 1 A 51 51 CYS N N 51 123.810 115.310 8.500 1
1 3 . 14 1 1 A 2 2 VAL H H 2 8.368 9.181 -0.813 1
1 4 . 14 1 1 A 2 2 VAL HA H 2 5.250 4.748 0.502 1
1 12 . 14 1 1 A 2 2 VAL C C 2 176.070 175.383 0.687 1
1 13 . 14 1 1 A 2 2 VAL CA C 2 60.705 61.434 -0.729 1
1 14 . 14 1 1 A 2 2 VAL CB C 2 34.398 33.997 0.401 1
1 17 . 14 1 1 A 2 2 VAL N N 2 119.964 127.220 -7.256 1
1 18 . 14 1 1 A 3 3 CYS H H 3 9.183 9.283 -0.100 1
1 19 . 14 1 1 A 3 3 CYS HA H 3 5.172 5.293 -0.121 1
1 22 . 14 1 1 A 3 3 CYS C C 3 173.772 174.453 -0.681 1
1 23 . 14 1 1 A 3 3 CYS CA C 3 56.558 56.501 0.057 1
1 24 . 14 1 1 A 3 3 CYS CB C 3 32.206 30.392 1.814 1
1 25 . 14 1 1 A 3 3 CYS N N 3 128.120 124.847 3.273 1
1 26 . 14 1 1 A 4 4 ALA H H 4 7.110 8.459 -1.349 1
1 27 . 14 1 1 A 4 4 ALA HA H 4 4.234 4.704 -0.470 1
1 31 . 14 1 1 A 4 4 ALA C C 4 177.661 176.338 1.323 1
1 32 . 14 1 1 A 4 4 ALA CA C 4 52.987 51.215 1.772 1
1 33 . 14 1 1 A 4 4 ALA CB C 4 19.004 18.021 0.983 1
1 34 . 14 1 1 A 4 4 ALA N N 4 117.697 123.626 -5.929 1
1 35 . 14 1 1 A 5 5 ALA H H 5 9.154 7.461 1.693 1
1 36 . 14 1 1 A 5 5 ALA HA H 5 4.565 4.751 -0.186 1
1 40 . 14 1 1 A 5 5 ALA C C 5 177.851 177.981 -0.130 1
1 41 . 14 1 1 A 5 5 ALA CA C 5 53.029 50.763 2.266 1
1 42 . 14 1 1 A 5 5 ALA CB C 5 19.533 20.564 -1.031 1
1 43 . 14 1 1 A 5 5 ALA N N 5 125.563 122.971 2.592 1
1 44 . 14 1 1 A 6 6 GLN H H 6 8.946 8.834 0.112 1
1 45 . 14 1 1 A 6 6 GLN HA H 6 4.098 4.051 0.047 1
1 52 . 14 1 1 A 6 6 GLN C C 6 176.708 176.764 -0.056 1
1 53 . 14 1 1 A 6 6 GLN CA C 6 58.555 59.258 -0.703 1
1 54 . 14 1 1 A 6 6 GLN CB C 6 28.397 28.840 -0.443 1
1 56 . 14 1 1 A 6 6 GLN N N 6 122.944 123.498 -0.554 1
1 58 . 14 1 1 A 7 7 ASN H H 7 8.399 7.774 0.625 1
1 59 . 14 1 1 A 7 7 ASN HA H 7 4.848 4.939 -0.091 1
1 64 . 14 1 1 A 7 7 ASN C C 7 173.923 173.809 0.114 1
1 65 . 14 1 1 A 7 7 ASN CA C 7 51.808 51.778 0.030 1
1 66 . 14 1 1 A 7 7 ASN CB C 7 37.850 38.631 -0.781 1
1 67 . 14 1 1 A 7 7 ASN N N 7 115.700 116.362 -0.662 1
1 69 . 14 1 1 A 8 8 CYS H H 8 7.655 8.352 -0.697 1
1 70 . 14 1 1 A 8 8 CYS HA H 8 4.947 5.095 -0.148 1
1 73 . 14 1 1 A 8 8 CYS C C 8 177.267 173.841 3.426 1
1 74 . 14 1 1 A 8 8 CYS CA C 8 59.479 57.583 1.896 1
1 75 . 14 1 1 A 8 8 CYS CB C 8 29.085 30.166 -1.081 1
1 76 . 14 1 1 A 8 8 CYS N N 8 122.410 122.844 -0.434 1
1 77 . 14 1 1 A 9 9 GLN H H 9 9.901 8.719 1.182 1
1 78 . 14 1 1 A 9 9 GLN HA H 9 4.193 4.796 -0.603 1
1 85 . 14 1 1 A 9 9 GLN C C 9 175.088 174.627 0.461 1
1 86 . 14 1 1 A 9 9 GLN CA C 9 56.730 54.825 1.905 1
1 87 . 14 1 1 A 9 9 GLN CB C 9 28.833 31.659 -2.826 1
1 89 . 14 1 1 A 9 9 GLN N N 9 133.116 124.654 8.462 1
1 91 . 14 1 1 A 10 10 ARG H H 10 10.013 8.695 1.318 1
1 92 . 14 1 1 A 10 10 ARG HA H 10 4.138 4.804 -0.666 1
1 98 . 14 1 1 A 10 10 ARG CA C 10 55.426 52.485 2.941 1
1 99 . 14 1 1 A 10 10 ARG CB C 10 28.647 30.536 -1.889 1
1 102 . 14 1 1 A 10 10 ARG N N 10 121.692 122.549 -0.857 1
1 103 . 14 1 1 A 11 11 PRO HA H 11 4.178 4.232 -0.054 1
1 110 . 14 1 1 A 11 11 PRO C C 11 177.355 177.274 0.081 1
1 111 . 14 1 1 A 11 11 PRO CA C 11 63.005 65.673 -2.668 1
1 112 . 14 1 1 A 11 11 PRO CB C 11 31.662 31.362 0.300 1
1 115 . 14 1 1 A 12 12 CYS H H 12 8.662 7.928 0.734 1
1 116 . 14 1 1 A 12 12 CYS HA H 12 4.629 4.130 0.499 1
1 119 . 14 1 1 A 12 12 CYS C C 12 173.972 173.975 -0.003 1
1 120 . 14 1 1 A 12 12 CYS CA C 12 58.103 60.319 -2.216 1
1 121 . 14 1 1 A 12 12 CYS CB C 12 27.951 26.261 1.690 1
1 122 . 14 1 1 A 12 12 CYS N N 12 120.690 114.926 5.764 1
1 123 . 14 1 1 A 13 13 LYS H H 13 7.138 7.914 -0.776 1
1 124 . 14 1 1 A 13 13 LYS HA H 13 4.406 4.326 0.080 1
1 131 . 14 1 1 A 13 13 LYS C C 13 174.846 177.610 -2.764 1
1 132 . 14 1 1 A 13 13 LYS CA C 13 55.401 55.917 -0.516 1
1 133 . 14 1 1 A 13 13 LYS CB C 13 34.650 33.384 1.266 1
1 137 . 14 1 1 A 13 13 LYS N N 13 121.573 120.443 1.130 1
1 138 . 14 1 1 A 14 14 ASP H H 14 8.395 8.650 -0.255 1
1 139 . 14 1 1 A 14 14 ASP HA H 14 4.301 4.342 -0.041 1
1 142 . 14 1 1 A 14 14 ASP C C 14 176.114 176.845 -0.731 1
1 143 . 14 1 1 A 14 14 ASP CA C 14 57.107 57.422 -0.315 1
1 144 . 14 1 1 A 14 14 ASP CB C 14 40.801 41.009 -0.208 1
1 145 . 14 1 1 A 14 14 ASP N N 14 118.919 120.349 -1.430 1
1 146 . 14 1 1 A 15 15 LYS H H 15 7.593 7.820 -0.227 1
1 147 . 14 1 1 A 15 15 LYS HA H 15 4.818 4.883 -0.065 1
1 155 . 14 1 1 A 15 15 LYS C C 15 175.145 175.400 -0.255 1
1 156 . 14 1 1 A 15 15 LYS CA C 15 55.491 55.006 0.485 1
1 157 . 14 1 1 A 15 15 LYS CB C 15 34.485 35.687 -1.202 1
1 161 . 14 1 1 A 15 15 LYS N N 15 117.259 118.410 -1.151 1
1 162 . 14 1 1 A 16 16 VAL H H 16 8.811 9.198 -0.387 1
1 163 . 14 1 1 A 16 16 VAL HA H 16 4.083 4.911 -0.828 1
1 171 . 14 1 1 A 16 16 VAL C C 16 174.356 174.355 0.001 1
1 172 . 14 1 1 A 16 16 VAL CA C 16 61.679 59.148 2.531 1
1 173 . 14 1 1 A 16 16 VAL CB C 16 34.315 34.911 -0.596 1
1 176 . 14 1 1 A 16 16 VAL N N 16 123.375 118.110 5.265 1
1 177 . 14 1 1 A 17 17 ASP H H 17 7.938 8.446 -0.508 1
1 178 . 14 1 1 A 17 17 ASP HA H 17 5.639 5.257 0.382 1
1 181 . 14 1 1 A 17 17 ASP C C 17 177.550 175.259 2.291 1
1 182 . 14 1 1 A 17 17 ASP CA C 17 54.991 53.079 1.912 1
1 183 . 14 1 1 A 17 17 ASP CB C 17 43.020 42.988 0.032 1
1 184 . 14 1 1 A 17 17 ASP N N 17 124.698 121.257 3.441 1
1 185 . 14 1 1 A 18 18 TRP H H 18 9.636 9.041 0.595 1
1 186 . 14 1 1 A 18 18 TRP HA H 18 5.793 6.135 -0.342 1
1 195 . 14 1 1 A 18 18 TRP C C 18 176.051 175.548 0.503 1
1 196 . 14 1 1 A 18 18 TRP CA C 18 56.881 56.124 0.757 1
1 197 . 14 1 1 A 18 18 TRP CB C 18 34.097 34.133 -0.036 1
1 203 . 14 1 1 A 18 18 TRP N N 18 123.330 121.977 1.353 1
1 205 . 14 1 1 A 19 19 VAL H H 19 10.592 8.817 1.775 1
1 206 . 14 1 1 A 19 19 VAL HA H 19 5.409 4.973 0.436 1
1 214 . 14 1 1 A 19 19 VAL C C 19 170.168 173.859 -3.691 1
1 215 . 14 1 1 A 19 19 VAL CA C 19 60.297 61.119 -0.822 1
1 216 . 14 1 1 A 19 19 VAL CB C 19 36.269 36.284 -0.015 1
1 219 . 14 1 1 A 19 19 VAL N N 19 122.558 121.193 1.365 1
1 220 . 14 1 1 A 20 20 GLN H H 20 8.359 8.880 -0.521 1
1 221 . 14 1 1 A 20 20 GLN HA H 20 4.728 4.643 0.085 1
1 228 . 14 1 1 A 20 20 GLN C C 20 176.280 175.320 0.960 1
1 229 . 14 1 1 A 20 20 GLN CA C 20 53.251 53.568 -0.317 1
1 230 . 14 1 1 A 20 20 GLN CB C 20 28.640 31.028 -2.388 1
1 232 . 14 1 1 A 20 20 GLN N N 20 132.425 126.786 5.639 1
1 234 . 14 1 1 A 21 21 CYS H H 21 8.618 8.478 0.140 1
1 235 . 14 1 1 A 21 21 CYS HA H 21 4.601 4.835 -0.234 1
1 238 . 14 1 1 A 21 21 CYS C C 21 177.580 175.523 2.057 1
1 239 . 14 1 1 A 21 21 CYS CA C 21 61.339 59.205 2.134 1
1 240 . 14 1 1 A 21 21 CYS CB C 21 32.597 28.698 3.899 1
1 241 . 14 1 1 A 21 21 CYS N N 21 128.017 124.721 3.296 1
1 242 . 14 1 1 A 22 22 ASP H H 22 10.211 9.582 0.629 1
1 243 . 14 1 1 A 22 22 ASP HA H 22 4.926 4.803 0.123 1
1 246 . 14 1 1 A 22 22 ASP C C 22 177.366 176.947 0.419 1
1 247 . 14 1 1 A 22 22 ASP CA C 22 56.782 54.356 2.426 1
1 248 . 14 1 1 A 22 22 ASP CB C 22 43.715 41.388 2.327 1
1 249 . 14 1 1 A 22 22 ASP N N 22 128.881 127.613 1.268 1
1 250 . 14 1 1 A 23 23 GLY H H 23 11.136 7.602 3.534 1
1 251 . 14 1 1 A 23 23 GLY HA2 H 23 3.556 3.891 -0.335 1
1 252 . 14 1 1 A 23 23 GLY HA3 H 23 4.026 3.902 0.124 1
1 253 . 14 1 1 A 23 23 GLY C C 23 173.584 174.297 -0.713 1
1 254 . 14 1 1 A 23 23 GLY CA C 23 45.651 45.258 0.393 1
1 255 . 14 1 1 A 23 23 GLY N N 23 117.638 107.973 9.665 1
1 256 . 14 1 1 A 24 24 GLY H H 24 8.906 7.835 1.071 1
1 257 . 14 1 1 A 24 24 GLY HA2 H 24 3.451 3.990 -0.539 1
1 258 . 14 1 1 A 24 24 GLY HA3 H 24 4.722 3.997 0.725 1
1 259 . 14 1 1 A 24 24 GLY C C 24 175.467 174.973 0.494 1
1 260 . 14 1 1 A 24 24 GLY CA C 24 45.165 45.223 -0.058 1
1 261 . 14 1 1 A 24 24 GLY N N 24 109.634 107.508 2.126 1
1 262 . 14 1 1 A 25 25 CYS H H 25 7.599 7.797 -0.198 1
1 263 . 14 1 1 A 25 25 CYS HA H 25 4.450 4.357 0.093 1
1 266 . 14 1 1 A 25 25 CYS C C 25 175.747 175.393 0.354 1
1 267 . 14 1 1 A 25 25 CYS CA C 25 60.192 60.224 -0.032 1
1 268 . 14 1 1 A 25 25 CYS CB C 25 30.266 28.231 2.035 1
1 269 . 14 1 1 A 25 25 CYS N N 25 119.707 119.230 0.477 1
1 270 . 14 1 1 A 26 26 ASP H H 26 8.156 8.097 0.059 1
1 271 . 14 1 1 A 26 26 ASP HA H 26 4.364 4.143 0.221 1
1 274 . 14 1 1 A 26 26 ASP C C 26 175.426 174.847 0.579 1
1 275 . 14 1 1 A 26 26 ASP CA C 26 56.106 54.902 1.204 1
1 276 . 14 1 1 A 26 26 ASP CB C 26 40.889 38.503 2.386 1
1 277 . 14 1 1 A 26 26 ASP N N 26 118.432 120.613 -2.181 1
1 278 . 14 1 1 A 27 27 GLU H H 27 9.181 7.821 1.360 1
1 279 . 14 1 1 A 27 27 GLU HA H 27 4.379 4.490 -0.111 1
1 284 . 14 1 1 A 27 27 GLU C C 27 175.329 175.699 -0.370 1
1 285 . 14 1 1 A 27 27 GLU CA C 27 58.179 55.336 2.843 1
1 286 . 14 1 1 A 27 27 GLU CB C 27 30.604 30.422 0.182 1
1 288 . 14 1 1 A 27 27 GLU N N 27 122.798 118.449 4.349 1
1 289 . 14 1 1 A 28 28 TRP H H 28 8.472 8.793 -0.321 1
1 290 . 14 1 1 A 28 28 TRP HA H 28 4.934 5.560 -0.626 1
1 299 . 14 1 1 A 28 28 TRP C C 28 175.838 176.142 -0.304 1
1 300 . 14 1 1 A 28 28 TRP CA C 28 57.313 55.739 1.574 1
1 301 . 14 1 1 A 28 28 TRP CB C 28 31.956 30.496 1.460 1
1 307 . 14 1 1 A 28 28 TRP N N 28 117.567 121.724 -4.157 1
1 309 . 14 1 1 A 29 29 PHE H H 29 9.792 9.311 0.481 1
1 310 . 14 1 1 A 29 29 PHE HA H 29 4.865 5.461 -0.596 1
1 316 . 14 1 1 A 29 29 PHE C C 29 176.573 174.912 1.661 1
1 317 . 14 1 1 A 29 29 PHE CA C 29 56.788 56.331 0.457 1
1 318 . 14 1 1 A 29 29 PHE CB C 29 42.755 43.619 -0.864 1
1 322 . 14 1 1 A 29 29 PHE N N 29 120.754 121.087 -0.333 1
1 323 . 14 1 1 A 30 30 HIS H H 30 9.889 8.522 1.367 1
1 324 . 14 1 1 A 30 30 HIS HA H 30 4.383 5.077 -0.694 1
1 328 . 14 1 1 A 30 30 HIS C C 30 177.229 176.241 0.988 1
1 329 . 14 1 1 A 30 30 HIS CA C 30 57.127 55.080 2.047 1
1 330 . 14 1 1 A 30 30 HIS CB C 30 29.589 31.458 -1.869 1
1 332 . 14 1 1 A 30 30 HIS N N 30 124.925 118.404 6.521 1
1 333 . 14 1 1 A 31 31 GLN H H 31 8.636 8.989 -0.353 1
1 334 . 14 1 1 A 31 31 GLN HA H 31 3.563 3.810 -0.247 1
1 341 . 14 1 1 A 31 31 GLN C C 31 178.836 177.997 0.839 1
1 342 . 14 1 1 A 31 31 GLN CA C 31 60.702 59.682 1.020 1
1 343 . 14 1 1 A 31 31 GLN CB C 31 26.688 28.359 -1.671 1
1 345 . 14 1 1 A 31 31 GLN N N 31 124.356 123.103 1.253 1
1 347 . 14 1 1 A 32 32 VAL H H 32 8.975 7.920 1.055 1
1 348 . 14 1 1 A 32 32 VAL HA H 32 4.096 3.869 0.227 1
1 356 . 14 1 1 A 32 32 VAL CA C 32 64.568 64.565 0.003 1
1 357 . 14 1 1 A 32 32 VAL CB C 32 31.689 31.539 0.150 1
1 360 . 14 1 1 A 32 32 VAL N N 32 114.507 115.731 -1.224 1
1 361 . 14 1 1 A 33 33 CYS H H 33 6.770 7.739 -0.969 1
1 362 . 14 1 1 A 33 33 CYS HA H 33 4.139 4.303 -0.164 1
1 365 . 14 1 1 A 33 33 CYS C C 33 177.175 175.654 1.521 1
1 366 . 14 1 1 A 33 33 CYS CA C 33 62.799 61.221 1.578 1
1 367 . 14 1 1 A 33 33 CYS CB C 33 29.256 27.764 1.492 1
1 368 . 14 1 1 A 33 33 CYS N N 33 120.275 119.953 0.322 1
1 369 . 14 1 1 A 34 34 VAL H H 34 7.144 7.481 -0.337 1
1 370 . 14 1 1 A 34 34 VAL HA H 34 4.599 4.205 0.394 1
1 378 . 14 1 1 A 34 34 VAL C C 34 176.099 175.973 0.126 1
1 379 . 14 1 1 A 34 34 VAL CA C 34 60.218 62.155 -1.937 1
1 380 . 14 1 1 A 34 34 VAL CB C 34 31.918 31.756 0.162 1
1 383 . 14 1 1 A 34 34 VAL N N 34 106.458 119.378 -12.920 1
1 384 . 14 1 1 A 35 35 GLY H H 35 7.519 7.822 -0.303 1
1 385 . 14 1 1 A 35 35 GLY HA2 H 35 3.897 3.916 -0.019 1
1 386 . 14 1 1 A 35 35 GLY HA3 H 35 3.954 3.932 0.022 1
1 387 . 14 1 1 A 35 35 GLY C C 35 174.669 174.698 -0.029 1
1 388 . 14 1 1 A 35 35 GLY CA C 35 47.173 46.857 0.316 1
1 389 . 14 1 1 A 35 35 GLY N N 35 110.261 111.334 -1.073 1
1 390 . 14 1 1 A 36 36 VAL H H 36 7.556 8.477 -0.921 1
1 391 . 14 1 1 A 36 36 VAL HA H 36 4.480 4.056 0.424 1
1 399 . 14 1 1 A 36 36 VAL C C 36 174.103 175.124 -1.021 1
1 400 . 14 1 1 A 36 36 VAL CA C 36 60.273 61.607 -1.334 1
1 401 . 14 1 1 A 36 36 VAL CB C 36 34.388 32.740 1.648 1
1 404 . 14 1 1 A 36 36 VAL N N 36 117.579 120.271 -2.692 1
1 405 . 14 1 1 A 37 37 SER H H 37 8.097 8.662 -0.565 1
1 406 . 14 1 1 A 37 37 SER HA H 37 4.846 4.928 -0.082 1
1 409 . 14 1 1 A 37 37 SER CA C 37 55.675 55.585 0.090 1
1 410 . 14 1 1 A 37 37 SER CB C 37 63.614 64.485 -0.871 1
1 411 . 14 1 1 A 37 37 SER N N 37 122.439 121.310 1.129 1
1 412 . 14 1 1 A 38 38 PRO HA H 38 4.467 4.294 0.173 1
1 418 . 14 1 1 A 38 38 PRO C C 38 179.393 178.707 0.686 1
1 419 . 14 1 1 A 38 38 PRO CA C 38 65.685 65.656 0.029 1
1 420 . 14 1 1 A 38 38 PRO CB C 38 32.027 31.681 0.346 1
1 423 . 14 1 1 A 39 39 GLU H H 39 8.536 8.507 0.029 1
1 424 . 14 1 1 A 39 39 GLU HA H 39 4.080 4.041 0.039 1
1 429 . 14 1 1 A 39 39 GLU C C 39 178.722 179.468 -0.746 1
1 430 . 14 1 1 A 39 39 GLU CA C 39 59.711 59.625 0.086 1
1 431 . 14 1 1 A 39 39 GLU CB C 39 28.947 29.053 -0.106 1
1 433 . 14 1 1 A 39 39 GLU N N 39 116.083 117.671 -1.588 1
1 434 . 14 1 1 A 40 40 MET H H 40 7.578 8.324 -0.746 1
1 435 . 14 1 1 A 40 40 MET HA H 40 4.224 4.193 0.031 1
1 439 . 14 1 1 A 40 40 MET C C 40 178.433 178.038 0.395 1
1 440 . 14 1 1 A 40 40 MET CA C 40 58.112 58.787 -0.675 1
1 441 . 14 1 1 A 40 40 MET CB C 40 33.685 33.178 0.507 1
1 443 . 14 1 1 A 40 40 MET N N 40 119.520 119.259 0.261 1
1 444 . 14 1 1 A 41 41 ALA H H 41 8.324 7.508 0.816 1
1 445 . 14 1 1 A 41 41 ALA HA H 41 3.975 4.152 -0.177 1
1 449 . 14 1 1 A 41 41 ALA C C 41 177.857 178.803 -0.946 1
1 450 . 14 1 1 A 41 41 ALA CA C 41 54.797 55.027 -0.230 1
1 451 . 14 1 1 A 41 41 ALA CB C 41 18.982 18.310 0.672 1
1 452 . 14 1 1 A 41 41 ALA N N 41 121.259 121.198 0.061 1
1 453 . 14 1 1 A 42 42 GLU H H 42 7.833 7.717 0.116 1
1 454 . 14 1 1 A 42 42 GLU HA H 42 4.273 4.267 0.006 1
1 458 . 14 1 1 A 42 42 GLU C C 42 178.431 178.105 0.326 1
1 459 . 14 1 1 A 42 42 GLU CA C 42 58.268 58.303 -0.035 1
1 460 . 14 1 1 A 42 42 GLU CB C 42 30.338 29.905 0.433 1
1 462 . 14 1 1 A 42 42 GLU N N 42 112.040 116.896 -4.856 1
1 463 . 14 1 1 A 43 43 ASN H H 43 7.688 7.656 0.032 1
1 464 . 14 1 1 A 43 43 ASN HA H 43 4.764 4.709 0.055 1
1 469 . 14 1 1 A 43 43 ASN C C 43 174.879 175.495 -0.616 1
1 470 . 14 1 1 A 43 43 ASN CA C 43 54.854 55.165 -0.311 1
1 471 . 14 1 1 A 43 43 ASN CB C 43 41.148 39.526 1.622 1
1 472 . 14 1 1 A 43 43 ASN N N 43 113.488 116.348 -2.860 1
1 474 . 14 1 1 A 44 44 GLU H H 44 7.861 7.631 0.230 1
1 475 . 14 1 1 A 44 44 GLU HA H 44 4.777 4.781 -0.004 1
1 480 . 14 1 1 A 44 44 GLU C C 44 176.482 175.483 0.999 1
1 481 . 14 1 1 A 44 44 GLU CA C 44 54.576 54.560 0.016 1
1 482 . 14 1 1 A 44 44 GLU CB C 44 32.781 34.189 -1.408 1
1 484 . 14 1 1 A 44 44 GLU N N 44 118.109 116.889 1.220 1
1 485 . 14 1 1 A 45 45 ASP H H 45 8.707 8.509 0.198 1
1 486 . 14 1 1 A 45 45 ASP HA H 45 4.755 4.740 0.015 1
1 488 . 14 1 1 A 45 45 ASP C C 45 176.643 175.183 1.460 1
1 489 . 14 1 1 A 45 45 ASP CA C 45 54.764 54.659 0.105 1
1 490 . 14 1 1 A 45 45 ASP CB C 45 40.807 41.052 -0.245 1
1 491 . 14 1 1 A 45 45 ASP N N 45 123.334 120.697 2.637 1
1 492 . 14 1 1 A 46 46 TYR H H 46 9.868 8.820 1.048 1
1 493 . 14 1 1 A 46 46 TYR HA H 46 4.671 5.479 -0.808 1
1 498 . 14 1 1 A 46 46 TYR C C 46 172.045 173.979 -1.934 1
1 499 . 14 1 1 A 46 46 TYR CA C 46 58.409 56.210 2.199 1
1 500 . 14 1 1 A 46 46 TYR CB C 46 40.085 41.684 -1.599 1
1 503 . 14 1 1 A 46 46 TYR N N 46 124.561 124.114 0.447 1
1 504 . 14 1 1 A 47 47 ILE H H 47 7.520 8.650 -1.130 1
1 505 . 14 1 1 A 47 47 ILE HA H 47 4.344 4.448 -0.104 1
1 515 . 14 1 1 A 47 47 ILE C C 47 174.691 175.389 -0.698 1
1 516 . 14 1 1 A 47 47 ILE CA C 47 58.279 59.770 -1.491 1
1 517 . 14 1 1 A 47 47 ILE CB C 47 37.652 39.313 -1.661 1
1 521 . 14 1 1 A 47 47 ILE N N 47 128.737 127.148 1.589 1
1 522 . 14 1 1 A 48 48 CYS H H 48 9.142 8.301 0.841 1
1 523 . 14 1 1 A 48 48 CYS HA H 48 4.126 4.265 -0.139 1
1 526 . 14 1 1 A 48 48 CYS C C 48 175.153 176.235 -1.082 1
1 527 . 14 1 1 A 48 48 CYS CA C 48 58.302 58.033 0.269 1
1 528 . 14 1 1 A 48 48 CYS CB C 48 32.494 29.506 2.988 1
1 529 . 14 1 1 A 48 48 CYS N N 48 130.912 127.019 3.893 1
1 530 . 14 1 1 A 49 49 ILE H H 49 7.748 8.626 -0.878 1
1 531 . 14 1 1 A 49 49 ILE HA H 49 3.956 3.778 0.178 1
1 541 . 14 1 1 A 49 49 ILE C C 49 177.115 177.422 -0.307 1
1 542 . 14 1 1 A 49 49 ILE CA C 49 63.096 63.451 -0.355 1
1 543 . 14 1 1 A 49 49 ILE CB C 49 38.630 37.702 0.928 1
1 547 . 14 1 1 A 49 49 ILE N N 49 113.518 118.622 -5.104 1
1 548 . 14 1 1 A 50 50 ASN H H 50 8.859 8.209 0.650 1
1 549 . 14 1 1 A 50 50 ASN HA H 50 4.709 4.500 0.209 1
1 554 . 14 1 1 A 50 50 ASN C C 50 176.868 177.034 -0.166 1
1 555 . 14 1 1 A 50 50 ASN CA C 50 55.433 55.877 -0.444 1
1 556 . 14 1 1 A 50 50 ASN CB C 50 39.690 38.174 1.516 1
1 557 . 14 1 1 A 50 50 ASN N N 50 121.721 119.324 2.397 1
1 559 . 14 1 1 A 51 51 CYS H H 51 8.213 7.419 0.794 1
1 560 . 14 1 1 A 51 51 CYS HA H 51 4.113 4.469 -0.356 1
1 563 . 14 1 1 A 51 51 CYS C C 51 174.832 174.792 0.040 1
1 564 . 14 1 1 A 51 51 CYS CA C 51 62.048 58.851 3.197 1
1 565 . 14 1 1 A 51 51 CYS CB C 51 31.516 27.620 3.896 1
1 566 . 14 1 1 A 51 51 CYS N N 51 123.810 115.946 7.864 1
1 3 . 15 1 1 A 2 2 VAL H H 2 8.368 7.839 0.529 1
1 4 . 15 1 1 A 2 2 VAL HA H 2 5.250 4.549 0.701 1
1 12 . 15 1 1 A 2 2 VAL C C 2 176.070 175.131 0.939 1
1 13 . 15 1 1 A 2 2 VAL CA C 2 60.705 61.478 -0.773 1
1 14 . 15 1 1 A 2 2 VAL CB C 2 34.398 33.725 0.673 1
1 17 . 15 1 1 A 2 2 VAL N N 2 119.964 121.202 -1.238 1
1 18 . 15 1 1 A 3 3 CYS H H 3 9.183 8.932 0.251 1
1 19 . 15 1 1 A 3 3 CYS HA H 3 5.172 5.129 0.043 1
1 22 . 15 1 1 A 3 3 CYS C C 3 173.772 174.414 -0.642 1
1 23 . 15 1 1 A 3 3 CYS CA C 3 56.558 56.625 -0.067 1
1 24 . 15 1 1 A 3 3 CYS CB C 3 32.206 29.966 2.240 1
1 25 . 15 1 1 A 3 3 CYS N N 3 128.120 124.140 3.980 1
1 26 . 15 1 1 A 4 4 ALA H H 4 7.110 8.365 -1.255 1
1 27 . 15 1 1 A 4 4 ALA HA H 4 4.234 4.701 -0.467 1
1 31 . 15 1 1 A 4 4 ALA C C 4 177.661 176.288 1.373 1
1 32 . 15 1 1 A 4 4 ALA CA C 4 52.987 51.239 1.748 1
1 33 . 15 1 1 A 4 4 ALA CB C 4 19.004 18.084 0.920 1
1 34 . 15 1 1 A 4 4 ALA N N 4 117.697 123.459 -5.762 1
1 35 . 15 1 1 A 5 5 ALA H H 5 9.154 7.459 1.695 1
1 36 . 15 1 1 A 5 5 ALA HA H 5 4.565 4.763 -0.198 1
1 40 . 15 1 1 A 5 5 ALA C C 5 177.851 177.934 -0.083 1
1 41 . 15 1 1 A 5 5 ALA CA C 5 53.029 50.814 2.215 1
1 42 . 15 1 1 A 5 5 ALA CB C 5 19.533 20.752 -1.219 1
1 43 . 15 1 1 A 5 5 ALA N N 5 125.563 122.922 2.641 1
1 44 . 15 1 1 A 6 6 GLN H H 6 8.946 8.684 0.262 1
1 45 . 15 1 1 A 6 6 GLN HA H 6 4.098 4.029 0.069 1
1 52 . 15 1 1 A 6 6 GLN C C 6 176.708 176.698 0.010 1
1 53 . 15 1 1 A 6 6 GLN CA C 6 58.555 59.416 -0.861 1
1 54 . 15 1 1 A 6 6 GLN CB C 6 28.397 28.611 -0.214 1
1 56 . 15 1 1 A 6 6 GLN N N 6 122.944 122.123 0.821 1
1 58 . 15 1 1 A 7 7 ASN H H 7 8.399 7.886 0.513 1
1 59 . 15 1 1 A 7 7 ASN HA H 7 4.848 4.962 -0.114 1
1 64 . 15 1 1 A 7 7 ASN C C 7 173.923 173.724 0.199 1
1 65 . 15 1 1 A 7 7 ASN CA C 7 51.808 51.492 0.316 1
1 66 . 15 1 1 A 7 7 ASN CB C 7 37.850 38.763 -0.913 1
1 67 . 15 1 1 A 7 7 ASN N N 7 115.700 116.403 -0.703 1
1 69 . 15 1 1 A 8 8 CYS H H 8 7.655 8.110 -0.455 1
1 70 . 15 1 1 A 8 8 CYS HA H 8 4.947 5.230 -0.283 1
1 73 . 15 1 1 A 8 8 CYS C C 8 177.267 173.758 3.509 1
1 74 . 15 1 1 A 8 8 CYS CA C 8 59.479 57.619 1.860 1
1 75 . 15 1 1 A 8 8 CYS CB C 8 29.085 30.063 -0.978 1
1 76 . 15 1 1 A 8 8 CYS N N 8 122.410 123.358 -0.948 1
1 77 . 15 1 1 A 9 9 GLN H H 9 9.901 8.773 1.128 1
1 78 . 15 1 1 A 9 9 GLN HA H 9 4.193 4.911 -0.718 1
1 85 . 15 1 1 A 9 9 GLN C C 9 175.088 174.229 0.859 1
1 86 . 15 1 1 A 9 9 GLN CA C 9 56.730 54.598 2.132 1
1 87 . 15 1 1 A 9 9 GLN CB C 9 28.833 31.438 -2.605 1
1 89 . 15 1 1 A 9 9 GLN N N 9 133.116 125.179 7.937 1
1 91 . 15 1 1 A 10 10 ARG H H 10 10.013 8.551 1.462 1
1 92 . 15 1 1 A 10 10 ARG HA H 10 4.138 4.485 -0.347 1
1 98 . 15 1 1 A 10 10 ARG CA C 10 55.426 53.256 2.170 1
1 99 . 15 1 1 A 10 10 ARG CB C 10 28.647 31.008 -2.361 1
1 102 . 15 1 1 A 10 10 ARG N N 10 121.692 124.260 -2.568 1
1 103 . 15 1 1 A 11 11 PRO HA H 11 4.178 4.233 -0.055 1
1 110 . 15 1 1 A 11 11 PRO C C 11 177.355 177.272 0.083 1
1 111 . 15 1 1 A 11 11 PRO CA C 11 63.005 65.508 -2.503 1
1 112 . 15 1 1 A 11 11 PRO CB C 11 31.662 31.457 0.205 1
1 115 . 15 1 1 A 12 12 CYS H H 12 8.662 7.943 0.719 1
1 116 . 15 1 1 A 12 12 CYS HA H 12 4.629 4.156 0.473 1
1 119 . 15 1 1 A 12 12 CYS C C 12 173.972 173.980 -0.008 1
1 120 . 15 1 1 A 12 12 CYS CA C 12 58.103 60.323 -2.220 1
1 121 . 15 1 1 A 12 12 CYS CB C 12 27.951 26.181 1.770 1
1 122 . 15 1 1 A 12 12 CYS N N 12 120.690 114.967 5.723 1
1 123 . 15 1 1 A 13 13 LYS H H 13 7.138 7.929 -0.791 1
1 124 . 15 1 1 A 13 13 LYS HA H 13 4.406 4.340 0.066 1
1 131 . 15 1 1 A 13 13 LYS C C 13 174.846 177.624 -2.778 1
1 132 . 15 1 1 A 13 13 LYS CA C 13 55.401 55.645 -0.244 1
1 133 . 15 1 1 A 13 13 LYS CB C 13 34.650 33.407 1.243 1
1 137 . 15 1 1 A 13 13 LYS N N 13 121.573 119.612 1.961 1
1 138 . 15 1 1 A 14 14 ASP H H 14 8.395 8.760 -0.365 1
1 139 . 15 1 1 A 14 14 ASP HA H 14 4.301 4.304 -0.003 1
1 142 . 15 1 1 A 14 14 ASP C C 14 176.114 176.884 -0.770 1
1 143 . 15 1 1 A 14 14 ASP CA C 14 57.107 57.707 -0.600 1
1 144 . 15 1 1 A 14 14 ASP CB C 14 40.801 40.960 -0.159 1
1 145 . 15 1 1 A 14 14 ASP N N 14 118.919 120.534 -1.615 1
1 146 . 15 1 1 A 15 15 LYS H H 15 7.593 7.740 -0.147 1
1 147 . 15 1 1 A 15 15 LYS HA H 15 4.818 4.826 -0.008 1
1 155 . 15 1 1 A 15 15 LYS C C 15 175.145 175.226 -0.081 1
1 156 . 15 1 1 A 15 15 LYS CA C 15 55.491 55.179 0.312 1
1 157 . 15 1 1 A 15 15 LYS CB C 15 34.485 36.136 -1.651 1
1 161 . 15 1 1 A 15 15 LYS N N 15 117.259 117.189 0.070 1
1 162 . 15 1 1 A 16 16 VAL H H 16 8.811 8.954 -0.143 1
1 163 . 15 1 1 A 16 16 VAL HA H 16 4.083 4.926 -0.843 1
1 171 . 15 1 1 A 16 16 VAL C C 16 174.356 174.078 0.278 1
1 172 . 15 1 1 A 16 16 VAL CA C 16 61.679 59.191 2.488 1
1 173 . 15 1 1 A 16 16 VAL CB C 16 34.315 35.302 -0.987 1
1 176 . 15 1 1 A 16 16 VAL N N 16 123.375 118.390 4.985 1
1 177 . 15 1 1 A 17 17 ASP H H 17 7.938 8.650 -0.712 1
1 178 . 15 1 1 A 17 17 ASP HA H 17 5.639 5.473 0.166 1
1 181 . 15 1 1 A 17 17 ASP C C 17 177.550 175.359 2.191 1
1 182 . 15 1 1 A 17 17 ASP CA C 17 54.991 53.079 1.912 1
1 183 . 15 1 1 A 17 17 ASP CB C 17 43.020 43.367 -0.347 1
1 184 . 15 1 1 A 17 17 ASP N N 17 124.698 121.739 2.959 1
1 185 . 15 1 1 A 18 18 TRP H H 18 9.636 9.162 0.474 1
1 186 . 15 1 1 A 18 18 TRP HA H 18 5.793 6.066 -0.273 1
1 195 . 15 1 1 A 18 18 TRP C C 18 176.051 175.493 0.558 1
1 196 . 15 1 1 A 18 18 TRP CA C 18 56.881 56.169 0.712 1
1 197 . 15 1 1 A 18 18 TRP CB C 18 34.097 34.297 -0.200 1
1 203 . 15 1 1 A 18 18 TRP N N 18 123.330 121.862 1.468 1
1 205 . 15 1 1 A 19 19 VAL H H 19 10.592 9.069 1.523 1
1 206 . 15 1 1 A 19 19 VAL HA H 19 5.409 5.113 0.296 1
1 214 . 15 1 1 A 19 19 VAL C C 19 170.168 174.011 -3.843 1
1 215 . 15 1 1 A 19 19 VAL CA C 19 60.297 60.847 -0.550 1
1 216 . 15 1 1 A 19 19 VAL CB C 19 36.269 36.041 0.228 1
1 219 . 15 1 1 A 19 19 VAL N N 19 122.558 121.032 1.526 1
1 220 . 15 1 1 A 20 20 GLN H H 20 8.359 8.933 -0.574 1
1 221 . 15 1 1 A 20 20 GLN HA H 20 4.728 4.937 -0.209 1
1 228 . 15 1 1 A 20 20 GLN C C 20 176.280 175.757 0.523 1
1 229 . 15 1 1 A 20 20 GLN CA C 20 53.251 53.603 -0.352 1
1 230 . 15 1 1 A 20 20 GLN CB C 20 28.640 31.134 -2.494 1
1 232 . 15 1 1 A 20 20 GLN N N 20 132.425 125.967 6.458 1
1 234 . 15 1 1 A 21 21 CYS H H 21 8.618 8.393 0.225 1
1 235 . 15 1 1 A 21 21 CYS HA H 21 4.601 4.956 -0.355 1
1 238 . 15 1 1 A 21 21 CYS C C 21 177.580 174.759 2.821 1
1 239 . 15 1 1 A 21 21 CYS CA C 21 61.339 59.002 2.337 1
1 240 . 15 1 1 A 21 21 CYS CB C 21 32.597 28.008 4.589 1
1 241 . 15 1 1 A 21 21 CYS N N 21 128.017 123.290 4.727 1
1 242 . 15 1 1 A 22 22 ASP H H 22 10.211 9.364 0.847 1
1 243 . 15 1 1 A 22 22 ASP HA H 22 4.926 4.821 0.105 1
1 246 . 15 1 1 A 22 22 ASP C C 22 177.366 176.391 0.975 1
1 247 . 15 1 1 A 22 22 ASP CA C 22 56.782 54.483 2.299 1
1 248 . 15 1 1 A 22 22 ASP CB C 22 43.715 41.403 2.312 1
1 249 . 15 1 1 A 22 22 ASP N N 22 128.881 124.531 4.350 1
1 250 . 15 1 1 A 23 23 GLY H H 23 11.136 8.159 2.977 1
1 251 . 15 1 1 A 23 23 GLY HA2 H 23 3.556 3.994 -0.438 1
1 252 . 15 1 1 A 23 23 GLY HA3 H 23 4.026 4.000 0.026 1
1 253 . 15 1 1 A 23 23 GLY C C 23 173.584 174.784 -1.200 1
1 254 . 15 1 1 A 23 23 GLY CA C 23 45.651 44.474 1.177 1
1 255 . 15 1 1 A 23 23 GLY N N 23 117.638 108.137 9.501 1
1 256 . 15 1 1 A 24 24 GLY H H 24 8.906 8.623 0.283 1
1 257 . 15 1 1 A 24 24 GLY HA2 H 24 3.451 3.964 -0.513 1
1 258 . 15 1 1 A 24 24 GLY HA3 H 24 4.722 3.972 0.750 1
1 259 . 15 1 1 A 24 24 GLY C C 24 175.467 174.742 0.725 1
1 260 . 15 1 1 A 24 24 GLY CA C 24 45.165 45.166 -0.001 1
1 261 . 15 1 1 A 24 24 GLY N N 24 109.634 108.469 1.165 1
1 262 . 15 1 1 A 25 25 CYS H H 25 7.599 7.564 0.035 1
1 263 . 15 1 1 A 25 25 CYS HA H 25 4.450 4.467 -0.017 1
1 266 . 15 1 1 A 25 25 CYS C C 25 175.747 174.263 1.484 1
1 267 . 15 1 1 A 25 25 CYS CA C 25 60.192 59.441 0.751 1
1 268 . 15 1 1 A 25 25 CYS CB C 25 30.266 28.968 1.298 1
1 269 . 15 1 1 A 25 25 CYS N N 25 119.707 116.944 2.763 1
1 270 . 15 1 1 A 26 26 ASP H H 26 8.156 7.990 0.166 1
1 271 . 15 1 1 A 26 26 ASP HA H 26 4.364 4.092 0.272 1
1 274 . 15 1 1 A 26 26 ASP C C 26 175.426 174.687 0.739 1
1 275 . 15 1 1 A 26 26 ASP CA C 26 56.106 55.257 0.849 1
1 276 . 15 1 1 A 26 26 ASP CB C 26 40.889 39.027 1.862 1
1 277 . 15 1 1 A 26 26 ASP N N 26 118.432 117.968 0.464 1
1 278 . 15 1 1 A 27 27 GLU H H 27 9.181 7.574 1.607 1
1 279 . 15 1 1 A 27 27 GLU HA H 27 4.379 4.544 -0.165 1
1 284 . 15 1 1 A 27 27 GLU C C 27 175.329 175.588 -0.259 1
1 285 . 15 1 1 A 27 27 GLU CA C 27 58.179 54.609 3.570 1
1 286 . 15 1 1 A 27 27 GLU CB C 27 30.604 30.772 -0.168 1
1 288 . 15 1 1 A 27 27 GLU N N 27 122.798 116.948 5.850 1
1 289 . 15 1 1 A 28 28 TRP H H 28 8.472 8.755 -0.283 1
1 290 . 15 1 1 A 28 28 TRP HA H 28 4.934 5.610 -0.676 1
1 299 . 15 1 1 A 28 28 TRP C C 28 175.838 175.620 0.218 1
1 300 . 15 1 1 A 28 28 TRP CA C 28 57.313 55.309 2.004 1
1 301 . 15 1 1 A 28 28 TRP CB C 28 31.956 30.833 1.123 1
1 307 . 15 1 1 A 28 28 TRP N N 28 117.567 121.395 -3.828 1
1 309 . 15 1 1 A 29 29 PHE H H 29 9.792 9.218 0.574 1
1 310 . 15 1 1 A 29 29 PHE HA H 29 4.865 5.121 -0.256 1
1 316 . 15 1 1 A 29 29 PHE C C 29 176.573 174.813 1.760 1
1 317 . 15 1 1 A 29 29 PHE CA C 29 56.788 56.407 0.381 1
1 318 . 15 1 1 A 29 29 PHE CB C 29 42.755 43.712 -0.957 1
1 322 . 15 1 1 A 29 29 PHE N N 29 120.754 121.081 -0.327 1
1 323 . 15 1 1 A 30 30 HIS H H 30 9.889 8.594 1.295 1
1 324 . 15 1 1 A 30 30 HIS HA H 30 4.383 5.060 -0.677 1
1 328 . 15 1 1 A 30 30 HIS C C 30 177.229 176.254 0.975 1
1 329 . 15 1 1 A 30 30 HIS CA C 30 57.127 55.165 1.962 1
1 330 . 15 1 1 A 30 30 HIS CB C 30 29.589 31.366 -1.777 1
1 332 . 15 1 1 A 30 30 HIS N N 30 124.925 118.319 6.606 1
1 333 . 15 1 1 A 31 31 GLN H H 31 8.636 8.718 -0.082 1
1 334 . 15 1 1 A 31 31 GLN HA H 31 3.563 3.903 -0.340 1
1 341 . 15 1 1 A 31 31 GLN C C 31 178.836 178.014 0.822 1
1 342 . 15 1 1 A 31 31 GLN CA C 31 60.702 59.274 1.428 1
1 343 . 15 1 1 A 31 31 GLN CB C 31 26.688 28.349 -1.661 1
1 345 . 15 1 1 A 31 31 GLN N N 31 124.356 123.059 1.297 1
1 347 . 15 1 1 A 32 32 VAL H H 32 8.975 7.895 1.080 1
1 348 . 15 1 1 A 32 32 VAL HA H 32 4.096 3.882 0.214 1
1 356 . 15 1 1 A 32 32 VAL CA C 32 64.568 64.610 -0.042 1
1 357 . 15 1 1 A 32 32 VAL CB C 32 31.689 31.411 0.278 1
1 360 . 15 1 1 A 32 32 VAL N N 32 114.507 116.026 -1.519 1
1 361 . 15 1 1 A 33 33 CYS H H 33 6.770 7.654 -0.884 1
1 362 . 15 1 1 A 33 33 CYS HA H 33 4.139 4.319 -0.180 1
1 365 . 15 1 1 A 33 33 CYS C C 33 177.175 175.595 1.580 1
1 366 . 15 1 1 A 33 33 CYS CA C 33 62.799 61.411 1.388 1
1 367 . 15 1 1 A 33 33 CYS CB C 33 29.256 28.020 1.236 1
1 368 . 15 1 1 A 33 33 CYS N N 33 120.275 119.766 0.509 1
1 369 . 15 1 1 A 34 34 VAL H H 34 7.144 7.507 -0.363 1
1 370 . 15 1 1 A 34 34 VAL HA H 34 4.599 4.254 0.345 1
1 378 . 15 1 1 A 34 34 VAL C C 34 176.099 175.871 0.228 1
1 379 . 15 1 1 A 34 34 VAL CA C 34 60.218 61.942 -1.724 1
1 380 . 15 1 1 A 34 34 VAL CB C 34 31.918 31.787 0.131 1
1 383 . 15 1 1 A 34 34 VAL N N 34 106.458 119.331 -12.873 1
1 384 . 15 1 1 A 35 35 GLY H H 35 7.519 7.824 -0.305 1
1 385 . 15 1 1 A 35 35 GLY HA2 H 35 3.897 3.915 -0.018 1
1 386 . 15 1 1 A 35 35 GLY HA3 H 35 3.954 3.922 0.032 1
1 387 . 15 1 1 A 35 35 GLY C C 35 174.669 174.482 0.187 1
1 388 . 15 1 1 A 35 35 GLY CA C 35 47.173 46.844 0.329 1
1 389 . 15 1 1 A 35 35 GLY N N 35 110.261 111.128 -0.867 1
1 390 . 15 1 1 A 36 36 VAL H H 36 7.556 8.282 -0.726 1
1 391 . 15 1 1 A 36 36 VAL HA H 36 4.480 4.293 0.187 1
1 399 . 15 1 1 A 36 36 VAL C C 36 174.103 174.710 -0.607 1
1 400 . 15 1 1 A 36 36 VAL CA C 36 60.273 60.904 -0.631 1
1 401 . 15 1 1 A 36 36 VAL CB C 36 34.388 33.592 0.796 1
1 404 . 15 1 1 A 36 36 VAL N N 36 117.579 119.728 -2.149 1
1 405 . 15 1 1 A 37 37 SER H H 37 8.097 8.632 -0.535 1
1 406 . 15 1 1 A 37 37 SER HA H 37 4.846 5.021 -0.175 1
1 409 . 15 1 1 A 37 37 SER CA C 37 55.675 55.419 0.256 1
1 410 . 15 1 1 A 37 37 SER CB C 37 63.614 64.608 -0.994 1
1 411 . 15 1 1 A 37 37 SER N N 37 122.439 121.784 0.655 1
1 412 . 15 1 1 A 38 38 PRO HA H 38 4.467 4.522 -0.055 1
1 418 . 15 1 1 A 38 38 PRO C C 38 179.393 178.666 0.727 1
1 419 . 15 1 1 A 38 38 PRO CA C 38 65.685 65.606 0.079 1
1 420 . 15 1 1 A 38 38 PRO CB C 38 32.027 31.870 0.157 1
1 423 . 15 1 1 A 39 39 GLU H H 39 8.536 8.326 0.210 1
1 424 . 15 1 1 A 39 39 GLU HA H 39 4.080 4.051 0.029 1
1 429 . 15 1 1 A 39 39 GLU C C 39 178.722 179.486 -0.764 1
1 430 . 15 1 1 A 39 39 GLU CA C 39 59.711 59.787 -0.076 1
1 431 . 15 1 1 A 39 39 GLU CB C 39 28.947 29.211 -0.264 1
1 433 . 15 1 1 A 39 39 GLU N N 39 116.083 117.313 -1.230 1
1 434 . 15 1 1 A 40 40 MET H H 40 7.578 8.174 -0.596 1
1 435 . 15 1 1 A 40 40 MET HA H 40 4.224 4.202 0.022 1
1 439 . 15 1 1 A 40 40 MET C C 40 178.433 178.082 0.351 1
1 440 . 15 1 1 A 40 40 MET CA C 40 58.112 58.560 -0.448 1
1 441 . 15 1 1 A 40 40 MET CB C 40 33.685 33.103 0.582 1
1 443 . 15 1 1 A 40 40 MET N N 40 119.520 118.846 0.674 1
1 444 . 15 1 1 A 41 41 ALA H H 41 8.324 7.536 0.788 1
1 445 . 15 1 1 A 41 41 ALA HA H 41 3.975 4.154 -0.179 1
1 449 . 15 1 1 A 41 41 ALA C C 41 177.857 178.986 -1.129 1
1 450 . 15 1 1 A 41 41 ALA CA C 41 54.797 54.804 -0.007 1
1 451 . 15 1 1 A 41 41 ALA CB C 41 18.982 18.311 0.671 1
1 452 . 15 1 1 A 41 41 ALA N N 41 121.259 121.228 0.031 1
1 453 . 15 1 1 A 42 42 GLU H H 42 7.833 7.974 -0.141 1
1 454 . 15 1 1 A 42 42 GLU HA H 42 4.273 4.231 0.042 1
1 458 . 15 1 1 A 42 42 GLU C C 42 178.431 177.932 0.499 1
1 459 . 15 1 1 A 42 42 GLU CA C 42 58.268 58.386 -0.118 1
1 460 . 15 1 1 A 42 42 GLU CB C 42 30.338 29.592 0.746 1
1 462 . 15 1 1 A 42 42 GLU N N 42 112.040 117.618 -5.578 1
1 463 . 15 1 1 A 43 43 ASN H H 43 7.688 7.622 0.066 1
1 464 . 15 1 1 A 43 43 ASN HA H 43 4.764 4.713 0.051 1
1 469 . 15 1 1 A 43 43 ASN C C 43 174.879 175.471 -0.592 1
1 470 . 15 1 1 A 43 43 ASN CA C 43 54.854 55.005 -0.151 1
1 471 . 15 1 1 A 43 43 ASN CB C 43 41.148 39.687 1.461 1
1 472 . 15 1 1 A 43 43 ASN N N 43 113.488 116.530 -3.042 1
1 474 . 15 1 1 A 44 44 GLU H H 44 7.861 7.506 0.355 1
1 475 . 15 1 1 A 44 44 GLU HA H 44 4.777 4.760 0.017 1
1 480 . 15 1 1 A 44 44 GLU C C 44 176.482 175.693 0.789 1
1 481 . 15 1 1 A 44 44 GLU CA C 44 54.576 54.484 0.092 1
1 482 . 15 1 1 A 44 44 GLU CB C 44 32.781 34.652 -1.871 1
1 484 . 15 1 1 A 44 44 GLU N N 44 118.109 117.057 1.052 1
1 485 . 15 1 1 A 45 45 ASP H H 45 8.707 8.534 0.173 1
1 486 . 15 1 1 A 45 45 ASP HA H 45 4.755 4.771 -0.016 1
1 488 . 15 1 1 A 45 45 ASP C C 45 176.643 175.250 1.393 1
1 489 . 15 1 1 A 45 45 ASP CA C 45 54.764 54.564 0.200 1
1 490 . 15 1 1 A 45 45 ASP CB C 45 40.807 40.717 0.090 1
1 491 . 15 1 1 A 45 45 ASP N N 45 123.334 121.101 2.233 1
1 492 . 15 1 1 A 46 46 TYR H H 46 9.868 9.217 0.651 1
1 493 . 15 1 1 A 46 46 TYR HA H 46 4.671 5.473 -0.802 1
1 498 . 15 1 1 A 46 46 TYR C C 46 172.045 173.993 -1.948 1
1 499 . 15 1 1 A 46 46 TYR CA C 46 58.409 56.108 2.301 1
1 500 . 15 1 1 A 46 46 TYR CB C 46 40.085 41.485 -1.400 1
1 503 . 15 1 1 A 46 46 TYR N N 46 124.561 125.037 -0.476 1
1 504 . 15 1 1 A 47 47 ILE H H 47 7.520 8.885 -1.365 1
1 505 . 15 1 1 A 47 47 ILE HA H 47 4.344 4.512 -0.168 1
1 515 . 15 1 1 A 47 47 ILE C C 47 174.691 175.709 -1.018 1
1 516 . 15 1 1 A 47 47 ILE CA C 47 58.279 59.774 -1.495 1
1 517 . 15 1 1 A 47 47 ILE CB C 47 37.652 39.582 -1.930 1
1 521 . 15 1 1 A 47 47 ILE N N 47 128.737 127.563 1.174 1
1 522 . 15 1 1 A 48 48 CYS H H 48 9.142 8.456 0.686 1
1 523 . 15 1 1 A 48 48 CYS HA H 48 4.126 4.535 -0.409 1
1 526 . 15 1 1 A 48 48 CYS C C 48 175.153 176.686 -1.533 1
1 527 . 15 1 1 A 48 48 CYS CA C 48 58.302 56.869 1.433 1
1 528 . 15 1 1 A 48 48 CYS CB C 48 32.494 29.553 2.941 1
1 529 . 15 1 1 A 48 48 CYS N N 48 130.912 126.142 4.770 1
1 530 . 15 1 1 A 49 49 ILE H H 49 7.748 8.634 -0.886 1
1 531 . 15 1 1 A 49 49 ILE HA H 49 3.956 3.774 0.182 1
1 541 . 15 1 1 A 49 49 ILE C C 49 177.115 177.650 -0.535 1
1 542 . 15 1 1 A 49 49 ILE CA C 49 63.096 63.710 -0.614 1
1 543 . 15 1 1 A 49 49 ILE CB C 49 38.630 37.593 1.037 1
1 547 . 15 1 1 A 49 49 ILE N N 49 113.518 117.799 -4.281 1
1 548 . 15 1 1 A 50 50 ASN H H 50 8.859 7.992 0.867 1
1 549 . 15 1 1 A 50 50 ASN HA H 50 4.709 4.513 0.196 1
1 554 . 15 1 1 A 50 50 ASN C C 50 176.868 176.959 -0.091 1
1 555 . 15 1 1 A 50 50 ASN CA C 50 55.433 56.053 -0.620 1
1 556 . 15 1 1 A 50 50 ASN CB C 50 39.690 38.331 1.359 1
1 557 . 15 1 1 A 50 50 ASN N N 50 121.721 120.033 1.688 1
1 559 . 15 1 1 A 51 51 CYS H H 51 8.213 7.570 0.643 1
1 560 . 15 1 1 A 51 51 CYS HA H 51 4.113 4.441 -0.328 1
1 563 . 15 1 1 A 51 51 CYS C C 51 174.832 174.555 0.277 1
1 564 . 15 1 1 A 51 51 CYS CA C 51 62.048 59.636 2.412 1
1 565 . 15 1 1 A 51 51 CYS CB C 51 31.516 27.570 3.946 1
1 566 . 15 1 1 A 51 51 CYS N N 51 123.810 116.612 7.198 1
1 3 . 16 1 1 A 2 2 VAL H H 2 8.368 8.117 0.251 1
1 4 . 16 1 1 A 2 2 VAL HA H 2 5.250 4.658 0.592 1
1 12 . 16 1 1 A 2 2 VAL C C 2 176.070 174.915 1.155 1
1 13 . 16 1 1 A 2 2 VAL CA C 2 60.705 61.230 -0.525 1
1 14 . 16 1 1 A 2 2 VAL CB C 2 34.398 33.963 0.435 1
1 17 . 16 1 1 A 2 2 VAL N N 2 119.964 117.535 2.429 1
1 18 . 16 1 1 A 3 3 CYS H H 3 9.183 9.375 -0.192 1
1 19 . 16 1 1 A 3 3 CYS HA H 3 5.172 5.356 -0.184 1
1 22 . 16 1 1 A 3 3 CYS C C 3 173.772 173.520 0.252 1
1 23 . 16 1 1 A 3 3 CYS CA C 3 56.558 56.175 0.383 1
1 24 . 16 1 1 A 3 3 CYS CB C 3 32.206 30.771 1.435 1
1 25 . 16 1 1 A 3 3 CYS N N 3 128.120 124.612 3.508 1
1 26 . 16 1 1 A 4 4 ALA H H 4 7.110 8.272 -1.162 1
1 27 . 16 1 1 A 4 4 ALA HA H 4 4.234 4.887 -0.653 1
1 31 . 16 1 1 A 4 4 ALA C C 4 177.661 176.645 1.016 1
1 32 . 16 1 1 A 4 4 ALA CA C 4 52.987 50.783 2.204 1
1 33 . 16 1 1 A 4 4 ALA CB C 4 19.004 19.549 -0.545 1
1 34 . 16 1 1 A 4 4 ALA N N 4 117.697 124.004 -6.307 1
1 35 . 16 1 1 A 5 5 ALA H H 5 9.154 8.409 0.745 1
1 36 . 16 1 1 A 5 5 ALA HA H 5 4.565 4.919 -0.354 1
1 40 . 16 1 1 A 5 5 ALA C C 5 177.851 176.345 1.506 1
1 41 . 16 1 1 A 5 5 ALA CA C 5 53.029 50.867 2.162 1
1 42 . 16 1 1 A 5 5 ALA CB C 5 19.533 23.937 -4.404 1
1 43 . 16 1 1 A 5 5 ALA N N 5 125.563 126.624 -1.061 1
1 44 . 16 1 1 A 6 6 GLN H H 6 8.946 8.453 0.493 1
1 45 . 16 1 1 A 6 6 GLN HA H 6 4.098 4.485 -0.387 1
1 52 . 16 1 1 A 6 6 GLN C C 6 176.708 175.589 1.119 1
1 53 . 16 1 1 A 6 6 GLN CA C 6 58.555 56.975 1.580 1
1 54 . 16 1 1 A 6 6 GLN CB C 6 28.397 29.989 -1.592 1
1 56 . 16 1 1 A 6 6 GLN N N 6 122.944 115.845 7.099 1
1 58 . 16 1 1 A 7 7 ASN H H 7 8.399 8.136 0.263 1
1 59 . 16 1 1 A 7 7 ASN HA H 7 4.848 5.003 -0.155 1
1 64 . 16 1 1 A 7 7 ASN C C 7 173.923 174.776 -0.853 1
1 65 . 16 1 1 A 7 7 ASN CA C 7 51.808 52.084 -0.276 1
1 66 . 16 1 1 A 7 7 ASN CB C 7 37.850 39.354 -1.504 1
1 67 . 16 1 1 A 7 7 ASN N N 7 115.700 117.260 -1.560 1
1 69 . 16 1 1 A 8 8 CYS H H 8 7.655 7.462 0.193 1
1 70 . 16 1 1 A 8 8 CYS HA H 8 4.947 4.363 0.584 1
1 73 . 16 1 1 A 8 8 CYS C C 8 177.267 174.425 2.842 1
1 74 . 16 1 1 A 8 8 CYS CA C 8 59.479 60.246 -0.767 1
1 75 . 16 1 1 A 8 8 CYS CB C 8 29.085 28.177 0.908 1
1 76 . 16 1 1 A 8 8 CYS N N 8 122.410 119.477 2.933 1
1 77 . 16 1 1 A 9 9 GLN H H 9 9.901 8.953 0.948 1
1 78 . 16 1 1 A 9 9 GLN HA H 9 4.193 4.824 -0.631 1
1 85 . 16 1 1 A 9 9 GLN C C 9 175.088 175.089 -0.001 1
1 86 . 16 1 1 A 9 9 GLN CA C 9 56.730 54.062 2.668 1
1 87 . 16 1 1 A 9 9 GLN CB C 9 28.833 31.796 -2.963 1
1 89 . 16 1 1 A 9 9 GLN N N 9 133.116 125.218 7.898 1
1 91 . 16 1 1 A 10 10 ARG H H 10 10.013 8.600 1.413 1
1 92 . 16 1 1 A 10 10 ARG HA H 10 4.138 4.281 -0.143 1
1 98 . 16 1 1 A 10 10 ARG CA C 10 55.426 53.969 1.457 1
1 99 . 16 1 1 A 10 10 ARG CB C 10 28.647 30.628 -1.981 1
1 102 . 16 1 1 A 10 10 ARG N N 10 121.692 124.917 -3.225 1
1 103 . 16 1 1 A 11 11 PRO HA H 11 4.178 4.329 -0.151 1
1 110 . 16 1 1 A 11 11 PRO C C 11 177.355 177.513 -0.158 1
1 111 . 16 1 1 A 11 11 PRO CA C 11 63.005 65.496 -2.491 1
1 112 . 16 1 1 A 11 11 PRO CB C 11 31.662 31.255 0.407 1
1 115 . 16 1 1 A 12 12 CYS H H 12 8.662 7.901 0.761 1
1 116 . 16 1 1 A 12 12 CYS HA H 12 4.629 4.158 0.471 1
1 119 . 16 1 1 A 12 12 CYS C C 12 173.972 173.986 -0.014 1
1 120 . 16 1 1 A 12 12 CYS CA C 12 58.103 60.476 -2.373 1
1 121 . 16 1 1 A 12 12 CYS CB C 12 27.951 26.443 1.508 1
1 122 . 16 1 1 A 12 12 CYS N N 12 120.690 114.818 5.872 1
1 123 . 16 1 1 A 13 13 LYS H H 13 7.138 7.742 -0.604 1
1 124 . 16 1 1 A 13 13 LYS HA H 13 4.406 4.322 0.084 1
1 131 . 16 1 1 A 13 13 LYS C C 13 174.846 177.580 -2.734 1
1 132 . 16 1 1 A 13 13 LYS CA C 13 55.401 56.376 -0.975 1
1 133 . 16 1 1 A 13 13 LYS CB C 13 34.650 33.341 1.309 1
1 137 . 16 1 1 A 13 13 LYS N N 13 121.573 120.481 1.092 1
1 138 . 16 1 1 A 14 14 ASP H H 14 8.395 8.689 -0.294 1
1 139 . 16 1 1 A 14 14 ASP HA H 14 4.301 4.322 -0.021 1
1 142 . 16 1 1 A 14 14 ASP C C 14 176.114 176.635 -0.521 1
1 143 . 16 1 1 A 14 14 ASP CA C 14 57.107 57.381 -0.274 1
1 144 . 16 1 1 A 14 14 ASP CB C 14 40.801 40.901 -0.100 1
1 145 . 16 1 1 A 14 14 ASP N N 14 118.919 120.128 -1.209 1
1 146 . 16 1 1 A 15 15 LYS H H 15 7.593 7.743 -0.150 1
1 147 . 16 1 1 A 15 15 LYS HA H 15 4.818 4.876 -0.058 1
1 155 . 16 1 1 A 15 15 LYS C C 15 175.145 175.047 0.098 1
1 156 . 16 1 1 A 15 15 LYS CA C 15 55.491 55.485 0.006 1
1 157 . 16 1 1 A 15 15 LYS CB C 15 34.485 36.465 -1.980 1
1 161 . 16 1 1 A 15 15 LYS N N 15 117.259 116.863 0.396 1
1 162 . 16 1 1 A 16 16 VAL H H 16 8.811 8.900 -0.089 1
1 163 . 16 1 1 A 16 16 VAL HA H 16 4.083 4.892 -0.809 1
1 171 . 16 1 1 A 16 16 VAL C C 16 174.356 174.347 0.009 1
1 172 . 16 1 1 A 16 16 VAL CA C 16 61.679 58.814 2.865 1
1 173 . 16 1 1 A 16 16 VAL CB C 16 34.315 35.910 -1.595 1
1 176 . 16 1 1 A 16 16 VAL N N 16 123.375 117.475 5.900 1
1 177 . 16 1 1 A 17 17 ASP H H 17 7.938 8.463 -0.525 1
1 178 . 16 1 1 A 17 17 ASP HA H 17 5.639 5.263 0.376 1
1 181 . 16 1 1 A 17 17 ASP C C 17 177.550 175.175 2.375 1
1 182 . 16 1 1 A 17 17 ASP CA C 17 54.991 54.081 0.910 1
1 183 . 16 1 1 A 17 17 ASP CB C 17 43.020 42.342 0.678 1
1 184 . 16 1 1 A 17 17 ASP N N 17 124.698 121.838 2.860 1
1 185 . 16 1 1 A 18 18 TRP H H 18 9.636 9.110 0.526 1
1 186 . 16 1 1 A 18 18 TRP HA H 18 5.793 5.551 0.242 1
1 195 . 16 1 1 A 18 18 TRP C C 18 176.051 175.347 0.704 1
1 196 . 16 1 1 A 18 18 TRP CA C 18 56.881 55.977 0.904 1
1 197 . 16 1 1 A 18 18 TRP CB C 18 34.097 34.558 -0.461 1
1 203 . 16 1 1 A 18 18 TRP N N 18 123.330 120.212 3.118 1
1 205 . 16 1 1 A 19 19 VAL H H 19 10.592 9.043 1.549 1
1 206 . 16 1 1 A 19 19 VAL HA H 19 5.409 5.102 0.307 1
1 214 . 16 1 1 A 19 19 VAL C C 19 170.168 174.494 -4.326 1
1 215 . 16 1 1 A 19 19 VAL CA C 19 60.297 60.673 -0.376 1
1 216 . 16 1 1 A 19 19 VAL CB C 19 36.269 36.267 0.002 1
1 219 . 16 1 1 A 19 19 VAL N N 19 122.558 120.094 2.464 1
1 220 . 16 1 1 A 20 20 GLN H H 20 8.359 8.822 -0.463 1
1 221 . 16 1 1 A 20 20 GLN HA H 20 4.728 4.366 0.362 1
1 228 . 16 1 1 A 20 20 GLN C C 20 176.280 174.770 1.510 1
1 229 . 16 1 1 A 20 20 GLN CA C 20 53.251 53.633 -0.382 1
1 230 . 16 1 1 A 20 20 GLN CB C 20 28.640 31.532 -2.892 1
1 232 . 16 1 1 A 20 20 GLN N N 20 132.425 124.842 7.583 1
1 234 . 16 1 1 A 21 21 CYS H H 21 8.618 8.557 0.061 1
1 235 . 16 1 1 A 21 21 CYS HA H 21 4.601 4.961 -0.360 1
1 238 . 16 1 1 A 21 21 CYS C C 21 177.580 175.102 2.478 1
1 239 . 16 1 1 A 21 21 CYS CA C 21 61.339 58.411 2.928 1
1 240 . 16 1 1 A 21 21 CYS CB C 21 32.597 27.829 4.768 1
1 241 . 16 1 1 A 21 21 CYS N N 21 128.017 124.586 3.431 1
1 242 . 16 1 1 A 22 22 ASP H H 22 10.211 8.996 1.215 1
1 243 . 16 1 1 A 22 22 ASP HA H 22 4.926 4.724 0.202 1
1 246 . 16 1 1 A 22 22 ASP C C 22 177.366 177.243 0.123 1
1 247 . 16 1 1 A 22 22 ASP CA C 22 56.782 54.481 2.301 1
1 248 . 16 1 1 A 22 22 ASP CB C 22 43.715 41.137 2.578 1
1 249 . 16 1 1 A 22 22 ASP N N 22 128.881 127.835 1.046 1
1 250 . 16 1 1 A 23 23 GLY H H 23 11.136 7.857 3.279 1
1 251 . 16 1 1 A 23 23 GLY HA2 H 23 3.556 4.063 -0.507 1
1 252 . 16 1 1 A 23 23 GLY HA3 H 23 4.026 4.075 -0.049 1
1 253 . 16 1 1 A 23 23 GLY C C 23 173.584 175.235 -1.651 1
1 254 . 16 1 1 A 23 23 GLY CA C 23 45.651 45.480 0.171 1
1 255 . 16 1 1 A 23 23 GLY N N 23 117.638 107.263 10.375 1
1 256 . 16 1 1 A 24 24 GLY H H 24 8.906 7.758 1.148 1
1 257 . 16 1 1 A 24 24 GLY HA2 H 24 3.451 4.067 -0.616 1
1 258 . 16 1 1 A 24 24 GLY HA3 H 24 4.722 4.071 0.651 1
1 259 . 16 1 1 A 24 24 GLY C C 24 175.467 174.814 0.653 1
1 260 . 16 1 1 A 24 24 GLY CA C 24 45.165 46.087 -0.922 1
1 261 . 16 1 1 A 24 24 GLY N N 24 109.634 108.443 1.191 1
1 262 . 16 1 1 A 25 25 CYS H H 25 7.599 8.037 -0.438 1
1 263 . 16 1 1 A 25 25 CYS HA H 25 4.450 4.231 0.219 1
1 266 . 16 1 1 A 25 25 CYS C C 25 175.747 175.274 0.473 1
1 267 . 16 1 1 A 25 25 CYS CA C 25 60.192 61.151 -0.959 1
1 268 . 16 1 1 A 25 25 CYS CB C 25 30.266 28.520 1.746 1
1 269 . 16 1 1 A 25 25 CYS N N 25 119.707 121.190 -1.483 1
1 270 . 16 1 1 A 26 26 ASP H H 26 8.156 7.673 0.483 1
1 271 . 16 1 1 A 26 26 ASP HA H 26 4.364 4.330 0.034 1
1 274 . 16 1 1 A 26 26 ASP C C 26 175.426 174.794 0.632 1
1 275 . 16 1 1 A 26 26 ASP CA C 26 56.106 55.081 1.025 1
1 276 . 16 1 1 A 26 26 ASP CB C 26 40.889 38.351 2.538 1
1 277 . 16 1 1 A 26 26 ASP N N 26 118.432 121.773 -3.341 1
1 278 . 16 1 1 A 27 27 GLU H H 27 9.181 7.749 1.432 1
1 279 . 16 1 1 A 27 27 GLU HA H 27 4.379 4.557 -0.178 1
1 284 . 16 1 1 A 27 27 GLU C C 27 175.329 175.217 0.112 1
1 285 . 16 1 1 A 27 27 GLU CA C 27 58.179 54.656 3.523 1
1 286 . 16 1 1 A 27 27 GLU CB C 27 30.604 31.145 -0.541 1
1 288 . 16 1 1 A 27 27 GLU N N 27 122.798 118.436 4.362 1
1 289 . 16 1 1 A 28 28 TRP H H 28 8.472 8.675 -0.203 1
1 290 . 16 1 1 A 28 28 TRP HA H 28 4.934 5.597 -0.663 1
1 299 . 16 1 1 A 28 28 TRP C C 28 175.838 175.105 0.733 1
1 300 . 16 1 1 A 28 28 TRP CA C 28 57.313 55.611 1.702 1
1 301 . 16 1 1 A 28 28 TRP CB C 28 31.956 31.962 -0.006 1
1 307 . 16 1 1 A 28 28 TRP N N 28 117.567 119.761 -2.194 1
1 309 . 16 1 1 A 29 29 PHE H H 29 9.792 9.270 0.522 1
1 310 . 16 1 1 A 29 29 PHE HA H 29 4.865 5.341 -0.476 1
1 316 . 16 1 1 A 29 29 PHE C C 29 176.573 175.359 1.214 1
1 317 . 16 1 1 A 29 29 PHE CA C 29 56.788 56.327 0.461 1
1 318 . 16 1 1 A 29 29 PHE CB C 29 42.755 43.483 -0.728 1
1 322 . 16 1 1 A 29 29 PHE N N 29 120.754 119.755 0.999 1
1 323 . 16 1 1 A 30 30 HIS H H 30 9.889 8.570 1.319 1
1 324 . 16 1 1 A 30 30 HIS HA H 30 4.383 4.694 -0.311 1
1 328 . 16 1 1 A 30 30 HIS C C 30 177.229 176.569 0.660 1
1 329 . 16 1 1 A 30 30 HIS CA C 30 57.127 56.332 0.795 1
1 330 . 16 1 1 A 30 30 HIS CB C 30 29.589 30.732 -1.143 1
1 332 . 16 1 1 A 30 30 HIS N N 30 124.925 120.099 4.826 1
1 333 . 16 1 1 A 31 31 GLN H H 31 8.636 9.059 -0.423 1
1 334 . 16 1 1 A 31 31 GLN HA H 31 3.563 3.896 -0.333 1
1 341 . 16 1 1 A 31 31 GLN C C 31 178.836 178.430 0.406 1
1 342 . 16 1 1 A 31 31 GLN CA C 31 60.702 58.756 1.946 1
1 343 . 16 1 1 A 31 31 GLN CB C 31 26.688 28.935 -2.247 1
1 345 . 16 1 1 A 31 31 GLN N N 31 124.356 122.028 2.328 1
1 347 . 16 1 1 A 32 32 VAL H H 32 8.975 7.892 1.083 1
1 348 . 16 1 1 A 32 32 VAL HA H 32 4.096 3.760 0.336 1
1 356 . 16 1 1 A 32 32 VAL CA C 32 64.568 65.069 -0.501 1
1 357 . 16 1 1 A 32 32 VAL CB C 32 31.689 31.538 0.151 1
1 360 . 16 1 1 A 32 32 VAL N N 32 114.507 116.216 -1.709 1
1 361 . 16 1 1 A 33 33 CYS H H 33 6.770 8.228 -1.458 1
1 362 . 16 1 1 A 33 33 CYS HA H 33 4.139 4.177 -0.038 1
1 365 . 16 1 1 A 33 33 CYS C C 33 177.175 177.017 0.158 1
1 366 . 16 1 1 A 33 33 CYS CA C 33 62.799 62.148 0.651 1
1 367 . 16 1 1 A 33 33 CYS CB C 33 29.256 27.440 1.816 1
1 368 . 16 1 1 A 33 33 CYS N N 33 120.275 120.028 0.247 1
1 369 . 16 1 1 A 34 34 VAL H H 34 7.144 7.650 -0.506 1
1 370 . 16 1 1 A 34 34 VAL HA H 34 4.599 4.127 0.472 1
1 378 . 16 1 1 A 34 34 VAL C C 34 176.099 175.914 0.185 1
1 379 . 16 1 1 A 34 34 VAL CA C 34 60.218 62.861 -2.643 1
1 380 . 16 1 1 A 34 34 VAL CB C 34 31.918 32.046 -0.128 1
1 383 . 16 1 1 A 34 34 VAL N N 34 106.458 118.996 -12.538 1
1 384 . 16 1 1 A 35 35 GLY H H 35 7.519 7.946 -0.427 1
1 385 . 16 1 1 A 35 35 GLY HA2 H 35 3.897 3.983 -0.086 1
1 386 . 16 1 1 A 35 35 GLY HA3 H 35 3.954 3.990 -0.036 1
1 387 . 16 1 1 A 35 35 GLY C C 35 174.669 174.686 -0.017 1
1 388 . 16 1 1 A 35 35 GLY CA C 35 47.173 45.035 2.138 1
1 389 . 16 1 1 A 35 35 GLY N N 35 110.261 110.104 0.157 1
1 390 . 16 1 1 A 36 36 VAL H H 36 7.556 7.586 -0.030 1
1 391 . 16 1 1 A 36 36 VAL HA H 36 4.480 3.641 0.839 1
1 399 . 16 1 1 A 36 36 VAL C C 36 174.103 174.939 -0.836 1
1 400 . 16 1 1 A 36 36 VAL CA C 36 60.273 62.537 -2.264 1
1 401 . 16 1 1 A 36 36 VAL CB C 36 34.388 31.254 3.134 1
1 404 . 16 1 1 A 36 36 VAL N N 36 117.579 122.585 -5.006 1
1 405 . 16 1 1 A 37 37 SER H H 37 8.097 8.344 -0.247 1
1 406 . 16 1 1 A 37 37 SER HA H 37 4.846 4.386 0.460 1
1 409 . 16 1 1 A 37 37 SER CA C 37 55.675 57.038 -1.363 1
1 410 . 16 1 1 A 37 37 SER CB C 37 63.614 63.204 0.410 1
1 411 . 16 1 1 A 37 37 SER N N 37 122.439 124.047 -1.608 1
1 412 . 16 1 1 A 38 38 PRO HA H 38 4.467 4.507 -0.040 1
1 418 . 16 1 1 A 38 38 PRO C C 38 179.393 177.868 1.525 1
1 419 . 16 1 1 A 38 38 PRO CA C 38 65.685 65.100 0.585 1
1 420 . 16 1 1 A 38 38 PRO CB C 38 32.027 32.114 -0.087 1
1 423 . 16 1 1 A 39 39 GLU H H 39 8.536 8.223 0.313 1
1 424 . 16 1 1 A 39 39 GLU HA H 39 4.080 4.086 -0.006 1
1 429 . 16 1 1 A 39 39 GLU C C 39 178.722 178.940 -0.218 1
1 430 . 16 1 1 A 39 39 GLU CA C 39 59.711 59.387 0.324 1
1 431 . 16 1 1 A 39 39 GLU CB C 39 28.947 29.404 -0.457 1
1 433 . 16 1 1 A 39 39 GLU N N 39 116.083 118.053 -1.970 1
1 434 . 16 1 1 A 40 40 MET H H 40 7.578 8.034 -0.456 1
1 435 . 16 1 1 A 40 40 MET HA H 40 4.224 4.255 -0.031 1
1 439 . 16 1 1 A 40 40 MET C C 40 178.433 178.239 0.194 1
1 440 . 16 1 1 A 40 40 MET CA C 40 58.112 58.639 -0.527 1
1 441 . 16 1 1 A 40 40 MET CB C 40 33.685 32.781 0.904 1
1 443 . 16 1 1 A 40 40 MET N N 40 119.520 119.055 0.465 1
1 444 . 16 1 1 A 41 41 ALA H H 41 8.324 7.770 0.554 1
1 445 . 16 1 1 A 41 41 ALA HA H 41 3.975 3.974 0.001 1
1 449 . 16 1 1 A 41 41 ALA C C 41 177.857 179.115 -1.258 1
1 450 . 16 1 1 A 41 41 ALA CA C 41 54.797 55.523 -0.726 1
1 451 . 16 1 1 A 41 41 ALA CB C 41 18.982 18.211 0.771 1
1 452 . 16 1 1 A 41 41 ALA N N 41 121.259 121.368 -0.109 1
1 453 . 16 1 1 A 42 42 GLU H H 42 7.833 7.609 0.224 1
1 454 . 16 1 1 A 42 42 GLU HA H 42 4.273 4.305 -0.032 1
1 458 . 16 1 1 A 42 42 GLU C C 42 178.431 177.936 0.495 1
1 459 . 16 1 1 A 42 42 GLU CA C 42 58.268 57.493 0.775 1
1 460 . 16 1 1 A 42 42 GLU CB C 42 30.338 29.736 0.602 1
1 462 . 16 1 1 A 42 42 GLU N N 42 112.040 116.025 -3.985 1
1 463 . 16 1 1 A 43 43 ASN H H 43 7.688 7.683 0.005 1
1 464 . 16 1 1 A 43 43 ASN HA H 43 4.764 4.773 -0.009 1
1 469 . 16 1 1 A 43 43 ASN C C 43 174.879 174.607 0.272 1
1 470 . 16 1 1 A 43 43 ASN CA C 43 54.854 54.822 0.032 1
1 471 . 16 1 1 A 43 43 ASN CB C 43 41.148 38.574 2.574 1
1 472 . 16 1 1 A 43 43 ASN N N 43 113.488 116.834 -3.346 1
1 474 . 16 1 1 A 44 44 GLU H H 44 7.861 7.773 0.088 1
1 475 . 16 1 1 A 44 44 GLU HA H 44 4.777 4.758 0.019 1
1 480 . 16 1 1 A 44 44 GLU C C 44 176.482 175.685 0.797 1
1 481 . 16 1 1 A 44 44 GLU CA C 44 54.576 54.820 -0.244 1
1 482 . 16 1 1 A 44 44 GLU CB C 44 32.781 33.116 -0.335 1
1 484 . 16 1 1 A 44 44 GLU N N 44 118.109 115.600 2.509 1
1 485 . 16 1 1 A 45 45 ASP H H 45 8.707 8.800 -0.093 1
1 486 . 16 1 1 A 45 45 ASP HA H 45 4.755 4.140 0.615 1
1 488 . 16 1 1 A 45 45 ASP C C 45 176.643 175.510 1.133 1
1 489 . 16 1 1 A 45 45 ASP CA C 45 54.764 55.135 -0.371 1
1 490 . 16 1 1 A 45 45 ASP CB C 45 40.807 39.796 1.011 1
1 491 . 16 1 1 A 45 45 ASP N N 45 123.334 120.751 2.583 1
1 492 . 16 1 1 A 46 46 TYR H H 46 9.868 8.653 1.215 1
1 493 . 16 1 1 A 46 46 TYR HA H 46 4.671 4.959 -0.288 1
1 498 . 16 1 1 A 46 46 TYR C C 46 172.045 174.297 -2.252 1
1 499 . 16 1 1 A 46 46 TYR CA C 46 58.409 56.577 1.832 1
1 500 . 16 1 1 A 46 46 TYR CB C 46 40.085 39.645 0.440 1
1 503 . 16 1 1 A 46 46 TYR N N 46 124.561 125.739 -1.178 1
1 504 . 16 1 1 A 47 47 ILE H H 47 7.520 8.481 -0.961 1
1 505 . 16 1 1 A 47 47 ILE HA H 47 4.344 4.239 0.105 1
1 515 . 16 1 1 A 47 47 ILE C C 47 174.691 176.147 -1.456 1
1 516 . 16 1 1 A 47 47 ILE CA C 47 58.279 60.340 -2.061 1
1 517 . 16 1 1 A 47 47 ILE CB C 47 37.652 38.270 -0.618 1
1 521 . 16 1 1 A 47 47 ILE N N 47 128.737 128.204 0.533 1
1 522 . 16 1 1 A 48 48 CYS H H 48 9.142 8.273 0.869 1
1 523 . 16 1 1 A 48 48 CYS HA H 48 4.126 4.551 -0.425 1
1 526 . 16 1 1 A 48 48 CYS C C 48 175.153 175.746 -0.593 1
1 527 . 16 1 1 A 48 48 CYS CA C 48 58.302 57.129 1.173 1
1 528 . 16 1 1 A 48 48 CYS CB C 48 32.494 30.012 2.482 1
1 529 . 16 1 1 A 48 48 CYS N N 48 130.912 123.695 7.217 1
1 530 . 16 1 1 A 49 49 ILE H H 49 7.748 8.809 -1.061 1
1 531 . 16 1 1 A 49 49 ILE HA H 49 3.956 3.707 0.249 1
1 541 . 16 1 1 A 49 49 ILE C C 49 177.115 177.511 -0.396 1
1 542 . 16 1 1 A 49 49 ILE CA C 49 63.096 64.363 -1.267 1
1 543 . 16 1 1 A 49 49 ILE CB C 49 38.630 37.486 1.144 1
1 547 . 16 1 1 A 49 49 ILE N N 49 113.518 119.636 -6.118 1
1 548 . 16 1 1 A 50 50 ASN H H 50 8.859 8.225 0.634 1
1 549 . 16 1 1 A 50 50 ASN HA H 50 4.709 4.507 0.202 1
1 554 . 16 1 1 A 50 50 ASN C C 50 176.868 178.180 -1.312 1
1 555 . 16 1 1 A 50 50 ASN CA C 50 55.433 56.126 -0.693 1
1 556 . 16 1 1 A 50 50 ASN CB C 50 39.690 37.896 1.794 1
1 557 . 16 1 1 A 50 50 ASN N N 50 121.721 120.892 0.829 1
1 559 . 16 1 1 A 51 51 CYS H H 51 8.213 7.755 0.458 1
1 560 . 16 1 1 A 51 51 CYS HA H 51 4.113 4.200 -0.087 1
1 563 . 16 1 1 A 51 51 CYS C C 51 174.832 177.371 -2.539 1
1 564 . 16 1 1 A 51 51 CYS CA C 51 62.048 62.465 -0.417 1
1 565 . 16 1 1 A 51 51 CYS CB C 51 31.516 27.842 3.674 1
1 566 . 16 1 1 A 51 51 CYS N N 51 123.810 118.305 5.505 1
1 3 . 17 1 1 A 2 2 VAL H H 2 8.368 8.093 0.275 1
1 4 . 17 1 1 A 2 2 VAL HA H 2 5.250 4.567 0.683 1
1 12 . 17 1 1 A 2 2 VAL C C 2 176.070 175.137 0.933 1
1 13 . 17 1 1 A 2 2 VAL CA C 2 60.705 61.292 -0.587 1
1 14 . 17 1 1 A 2 2 VAL CB C 2 34.398 34.007 0.391 1
1 17 . 17 1 1 A 2 2 VAL N N 2 119.964 118.470 1.494 1
1 18 . 17 1 1 A 3 3 CYS H H 3 9.183 9.006 0.177 1
1 19 . 17 1 1 A 3 3 CYS HA H 3 5.172 5.249 -0.077 1
1 22 . 17 1 1 A 3 3 CYS C C 3 173.772 174.416 -0.644 1
1 23 . 17 1 1 A 3 3 CYS CA C 3 56.558 56.388 0.170 1
1 24 . 17 1 1 A 3 3 CYS CB C 3 32.206 30.102 2.104 1
1 25 . 17 1 1 A 3 3 CYS N N 3 128.120 124.362 3.758 1
1 26 . 17 1 1 A 4 4 ALA H H 4 7.110 8.953 -1.843 1
1 27 . 17 1 1 A 4 4 ALA HA H 4 4.234 4.762 -0.528 1
1 31 . 17 1 1 A 4 4 ALA C C 4 177.661 176.296 1.365 1
1 32 . 17 1 1 A 4 4 ALA CA C 4 52.987 51.133 1.854 1
1 33 . 17 1 1 A 4 4 ALA CB C 4 19.004 18.569 0.435 1
1 34 . 17 1 1 A 4 4 ALA N N 4 117.697 123.468 -5.771 1
1 35 . 17 1 1 A 5 5 ALA H H 5 9.154 7.563 1.591 1
1 36 . 17 1 1 A 5 5 ALA HA H 5 4.565 4.807 -0.242 1
1 40 . 17 1 1 A 5 5 ALA C C 5 177.851 177.967 -0.116 1
1 41 . 17 1 1 A 5 5 ALA CA C 5 53.029 50.764 2.265 1
1 42 . 17 1 1 A 5 5 ALA CB C 5 19.533 20.543 -1.010 1
1 43 . 17 1 1 A 5 5 ALA N N 5 125.563 122.980 2.583 1
1 44 . 17 1 1 A 6 6 GLN H H 6 8.946 8.669 0.277 1
1 45 . 17 1 1 A 6 6 GLN HA H 6 4.098 4.025 0.073 1
1 52 . 17 1 1 A 6 6 GLN C C 6 176.708 176.833 -0.125 1
1 53 . 17 1 1 A 6 6 GLN CA C 6 58.555 59.420 -0.865 1
1 54 . 17 1 1 A 6 6 GLN CB C 6 28.397 28.641 -0.244 1
1 56 . 17 1 1 A 6 6 GLN N N 6 122.944 123.027 -0.083 1
1 58 . 17 1 1 A 7 7 ASN H H 7 8.399 7.934 0.465 1
1 59 . 17 1 1 A 7 7 ASN HA H 7 4.848 4.992 -0.144 1
1 64 . 17 1 1 A 7 7 ASN C C 7 173.923 173.630 0.293 1
1 65 . 17 1 1 A 7 7 ASN CA C 7 51.808 51.508 0.300 1
1 66 . 17 1 1 A 7 7 ASN CB C 7 37.850 38.514 -0.664 1
1 67 . 17 1 1 A 7 7 ASN N N 7 115.700 116.176 -0.476 1
1 69 . 17 1 1 A 8 8 CYS H H 8 7.655 8.779 -1.124 1
1 70 . 17 1 1 A 8 8 CYS HA H 8 4.947 5.203 -0.256 1
1 73 . 17 1 1 A 8 8 CYS C C 8 177.267 173.861 3.406 1
1 74 . 17 1 1 A 8 8 CYS CA C 8 59.479 57.476 2.003 1
1 75 . 17 1 1 A 8 8 CYS CB C 8 29.085 29.993 -0.908 1
1 76 . 17 1 1 A 8 8 CYS N N 8 122.410 123.867 -1.457 1
1 77 . 17 1 1 A 9 9 GLN H H 9 9.901 8.511 1.390 1
1 78 . 17 1 1 A 9 9 GLN HA H 9 4.193 4.809 -0.616 1
1 85 . 17 1 1 A 9 9 GLN C C 9 175.088 174.886 0.202 1
1 86 . 17 1 1 A 9 9 GLN CA C 9 56.730 54.685 2.045 1
1 87 . 17 1 1 A 9 9 GLN CB C 9 28.833 30.998 -2.165 1
1 89 . 17 1 1 A 9 9 GLN N N 9 133.116 124.460 8.656 1
1 91 . 17 1 1 A 10 10 ARG H H 10 10.013 8.846 1.167 1
1 92 . 17 1 1 A 10 10 ARG HA H 10 4.138 4.796 -0.658 1
1 98 . 17 1 1 A 10 10 ARG CA C 10 55.426 52.515 2.911 1
1 99 . 17 1 1 A 10 10 ARG CB C 10 28.647 30.508 -1.861 1
1 102 . 17 1 1 A 10 10 ARG N N 10 121.692 123.307 -1.615 1
1 103 . 17 1 1 A 11 11 PRO HA H 11 4.178 4.288 -0.110 1
1 110 . 17 1 1 A 11 11 PRO C C 11 177.355 177.324 0.031 1
1 111 . 17 1 1 A 11 11 PRO CA C 11 63.005 65.458 -2.453 1
1 112 . 17 1 1 A 11 11 PRO CB C 11 31.662 31.399 0.263 1
1 115 . 17 1 1 A 12 12 CYS H H 12 8.662 7.964 0.698 1
1 116 . 17 1 1 A 12 12 CYS HA H 12 4.629 4.178 0.451 1
1 119 . 17 1 1 A 12 12 CYS C C 12 173.972 173.761 0.211 1
1 120 . 17 1 1 A 12 12 CYS CA C 12 58.103 60.354 -2.251 1
1 121 . 17 1 1 A 12 12 CYS CB C 12 27.951 26.253 1.698 1
1 122 . 17 1 1 A 12 12 CYS N N 12 120.690 114.968 5.722 1
1 123 . 17 1 1 A 13 13 LYS H H 13 7.138 7.794 -0.656 1
1 124 . 17 1 1 A 13 13 LYS HA H 13 4.406 4.197 0.209 1
1 131 . 17 1 1 A 13 13 LYS C C 13 174.846 177.251 -2.405 1
1 132 . 17 1 1 A 13 13 LYS CA C 13 55.401 56.041 -0.640 1
1 133 . 17 1 1 A 13 13 LYS CB C 13 34.650 33.901 0.749 1
1 137 . 17 1 1 A 13 13 LYS N N 13 121.573 121.678 -0.105 1
1 138 . 17 1 1 A 14 14 ASP H H 14 8.395 8.610 -0.215 1
1 139 . 17 1 1 A 14 14 ASP HA H 14 4.301 4.342 -0.041 1
1 142 . 17 1 1 A 14 14 ASP C C 14 176.114 176.542 -0.428 1
1 143 . 17 1 1 A 14 14 ASP CA C 14 57.107 57.182 -0.075 1
1 144 . 17 1 1 A 14 14 ASP CB C 14 40.801 41.262 -0.461 1
1 145 . 17 1 1 A 14 14 ASP N N 14 118.919 121.989 -3.070 1
1 146 . 17 1 1 A 15 15 LYS H H 15 7.593 7.739 -0.146 1
1 147 . 17 1 1 A 15 15 LYS HA H 15 4.818 4.844 -0.026 1
1 155 . 17 1 1 A 15 15 LYS C C 15 175.145 174.919 0.226 1
1 156 . 17 1 1 A 15 15 LYS CA C 15 55.491 55.329 0.162 1
1 157 . 17 1 1 A 15 15 LYS CB C 15 34.485 36.032 -1.547 1
1 161 . 17 1 1 A 15 15 LYS N N 15 117.259 117.224 0.035 1
1 162 . 17 1 1 A 16 16 VAL H H 16 8.811 8.940 -0.129 1
1 163 . 17 1 1 A 16 16 VAL HA H 16 4.083 4.919 -0.836 1
1 171 . 17 1 1 A 16 16 VAL C C 16 174.356 173.741 0.615 1
1 172 . 17 1 1 A 16 16 VAL CA C 16 61.679 59.205 2.474 1
1 173 . 17 1 1 A 16 16 VAL CB C 16 34.315 35.831 -1.516 1
1 176 . 17 1 1 A 16 16 VAL N N 16 123.375 118.070 5.305 1
1 177 . 17 1 1 A 17 17 ASP H H 17 7.938 8.701 -0.763 1
1 178 . 17 1 1 A 17 17 ASP HA H 17 5.639 5.522 0.117 1
1 181 . 17 1 1 A 17 17 ASP C C 17 177.550 175.509 2.041 1
1 182 . 17 1 1 A 17 17 ASP CA C 17 54.991 53.082 1.909 1
1 183 . 17 1 1 A 17 17 ASP CB C 17 43.020 43.427 -0.407 1
1 184 . 17 1 1 A 17 17 ASP N N 17 124.698 122.116 2.582 1
1 185 . 17 1 1 A 18 18 TRP H H 18 9.636 9.229 0.407 1
1 186 . 17 1 1 A 18 18 TRP HA H 18 5.793 6.077 -0.284 1
1 195 . 17 1 1 A 18 18 TRP C C 18 176.051 175.579 0.472 1
1 196 . 17 1 1 A 18 18 TRP CA C 18 56.881 56.136 0.745 1
1 197 . 17 1 1 A 18 18 TRP CB C 18 34.097 33.798 0.299 1
1 203 . 17 1 1 A 18 18 TRP N N 18 123.330 121.809 1.521 1
1 205 . 17 1 1 A 19 19 VAL H H 19 10.592 9.205 1.387 1
1 206 . 17 1 1 A 19 19 VAL HA H 19 5.409 5.055 0.354 1
1 214 . 17 1 1 A 19 19 VAL C C 19 170.168 173.879 -3.711 1
1 215 . 17 1 1 A 19 19 VAL CA C 19 60.297 60.913 -0.616 1
1 216 . 17 1 1 A 19 19 VAL CB C 19 36.269 36.240 0.029 1
1 219 . 17 1 1 A 19 19 VAL N N 19 122.558 120.828 1.730 1
1 220 . 17 1 1 A 20 20 GLN H H 20 8.359 8.894 -0.535 1
1 221 . 17 1 1 A 20 20 GLN HA H 20 4.728 4.677 0.051 1
1 228 . 17 1 1 A 20 20 GLN C C 20 176.280 175.440 0.840 1
1 229 . 17 1 1 A 20 20 GLN CA C 20 53.251 53.455 -0.204 1
1 230 . 17 1 1 A 20 20 GLN CB C 20 28.640 30.325 -1.685 1
1 232 . 17 1 1 A 20 20 GLN N N 20 132.425 126.697 5.728 1
1 234 . 17 1 1 A 21 21 CYS H H 21 8.618 8.595 0.023 1
1 235 . 17 1 1 A 21 21 CYS HA H 21 4.601 4.862 -0.261 1
1 238 . 17 1 1 A 21 21 CYS C C 21 177.580 175.053 2.527 1
1 239 . 17 1 1 A 21 21 CYS CA C 21 61.339 59.498 1.841 1
1 240 . 17 1 1 A 21 21 CYS CB C 21 32.597 27.955 4.642 1
1 241 . 17 1 1 A 21 21 CYS N N 21 128.017 124.778 3.239 1
1 242 . 17 1 1 A 22 22 ASP H H 22 10.211 9.329 0.882 1
1 243 . 17 1 1 A 22 22 ASP HA H 22 4.926 4.818 0.108 1
1 246 . 17 1 1 A 22 22 ASP C C 22 177.366 176.942 0.424 1
1 247 . 17 1 1 A 22 22 ASP CA C 22 56.782 54.175 2.607 1
1 248 . 17 1 1 A 22 22 ASP CB C 22 43.715 41.231 2.484 1
1 249 . 17 1 1 A 22 22 ASP N N 22 128.881 127.313 1.568 1
1 250 . 17 1 1 A 23 23 GLY H H 23 11.136 7.596 3.540 1
1 251 . 17 1 1 A 23 23 GLY HA2 H 23 3.556 3.890 -0.334 1
1 252 . 17 1 1 A 23 23 GLY HA3 H 23 4.026 3.898 0.128 1
1 253 . 17 1 1 A 23 23 GLY C C 23 173.584 174.272 -0.688 1
1 254 . 17 1 1 A 23 23 GLY CA C 23 45.651 45.135 0.516 1
1 255 . 17 1 1 A 23 23 GLY N N 23 117.638 107.971 9.667 1
1 256 . 17 1 1 A 24 24 GLY H H 24 8.906 8.123 0.783 1
1 257 . 17 1 1 A 24 24 GLY HA2 H 24 3.451 3.998 -0.547 1
1 258 . 17 1 1 A 24 24 GLY HA3 H 24 4.722 4.006 0.716 1
1 259 . 17 1 1 A 24 24 GLY C C 24 175.467 175.742 -0.275 1
1 260 . 17 1 1 A 24 24 GLY CA C 24 45.165 45.421 -0.256 1
1 261 . 17 1 1 A 24 24 GLY N N 24 109.634 108.172 1.462 1
1 262 . 17 1 1 A 25 25 CYS H H 25 7.599 8.119 -0.520 1
1 263 . 17 1 1 A 25 25 CYS HA H 25 4.450 4.339 0.111 1
1 266 . 17 1 1 A 25 25 CYS C C 25 175.747 174.106 1.641 1
1 267 . 17 1 1 A 25 25 CYS CA C 25 60.192 62.123 -1.931 1
1 268 . 17 1 1 A 25 25 CYS CB C 25 30.266 28.242 2.024 1
1 269 . 17 1 1 A 25 25 CYS N N 25 119.707 119.816 -0.109 1
1 270 . 17 1 1 A 26 26 ASP H H 26 8.156 7.534 0.622 1
1 271 . 17 1 1 A 26 26 ASP HA H 26 4.364 4.410 -0.046 1
1 274 . 17 1 1 A 26 26 ASP C C 26 175.426 174.777 0.649 1
1 275 . 17 1 1 A 26 26 ASP CA C 26 56.106 55.278 0.828 1
1 276 . 17 1 1 A 26 26 ASP CB C 26 40.889 39.241 1.648 1
1 277 . 17 1 1 A 26 26 ASP N N 26 118.432 117.443 0.989 1
1 278 . 17 1 1 A 27 27 GLU H H 27 9.181 7.819 1.362 1
1 279 . 17 1 1 A 27 27 GLU HA H 27 4.379 4.132 0.247 1
1 284 . 17 1 1 A 27 27 GLU C C 27 175.329 175.888 -0.559 1
1 285 . 17 1 1 A 27 27 GLU CA C 27 58.179 55.845 2.334 1
1 286 . 17 1 1 A 27 27 GLU CB C 27 30.604 29.927 0.677 1
1 288 . 17 1 1 A 27 27 GLU N N 27 122.798 117.511 5.287 1
1 289 . 17 1 1 A 28 28 TRP H H 28 8.472 8.798 -0.326 1
1 290 . 17 1 1 A 28 28 TRP HA H 28 4.934 5.340 -0.406 1
1 299 . 17 1 1 A 28 28 TRP C C 28 175.838 176.243 -0.405 1
1 300 . 17 1 1 A 28 28 TRP CA C 28 57.313 56.145 1.168 1
1 301 . 17 1 1 A 28 28 TRP CB C 28 31.956 30.432 1.524 1
1 307 . 17 1 1 A 28 28 TRP N N 28 117.567 122.932 -5.365 1
1 309 . 17 1 1 A 29 29 PHE H H 29 9.792 9.680 0.112 1
1 310 . 17 1 1 A 29 29 PHE HA H 29 4.865 5.151 -0.286 1
1 316 . 17 1 1 A 29 29 PHE C C 29 176.573 174.991 1.582 1
1 317 . 17 1 1 A 29 29 PHE CA C 29 56.788 56.407 0.381 1
1 318 . 17 1 1 A 29 29 PHE CB C 29 42.755 43.467 -0.712 1
1 322 . 17 1 1 A 29 29 PHE N N 29 120.754 122.048 -1.294 1
1 323 . 17 1 1 A 30 30 HIS H H 30 9.889 8.490 1.399 1
1 324 . 17 1 1 A 30 30 HIS HA H 30 4.383 5.006 -0.623 1
1 328 . 17 1 1 A 30 30 HIS C C 30 177.229 176.196 1.033 1
1 329 . 17 1 1 A 30 30 HIS CA C 30 57.127 54.958 2.169 1
1 330 . 17 1 1 A 30 30 HIS CB C 30 29.589 31.891 -2.302 1
1 332 . 17 1 1 A 30 30 HIS N N 30 124.925 118.112 6.813 1
1 333 . 17 1 1 A 31 31 GLN H H 31 8.636 8.658 -0.022 1
1 334 . 17 1 1 A 31 31 GLN HA H 31 3.563 3.824 -0.261 1
1 341 . 17 1 1 A 31 31 GLN C C 31 178.836 177.942 0.894 1
1 342 . 17 1 1 A 31 31 GLN CA C 31 60.702 59.729 0.973 1
1 343 . 17 1 1 A 31 31 GLN CB C 31 26.688 28.338 -1.650 1
1 345 . 17 1 1 A 31 31 GLN N N 31 124.356 122.910 1.446 1
1 347 . 17 1 1 A 32 32 VAL H H 32 8.975 7.934 1.041 1
1 348 . 17 1 1 A 32 32 VAL HA H 32 4.096 3.887 0.209 1
1 356 . 17 1 1 A 32 32 VAL CA C 32 64.568 64.647 -0.079 1
1 357 . 17 1 1 A 32 32 VAL CB C 32 31.689 31.518 0.171 1
1 360 . 17 1 1 A 32 32 VAL N N 32 114.507 115.841 -1.334 1
1 361 . 17 1 1 A 33 33 CYS H H 33 6.770 7.770 -1.000 1
1 362 . 17 1 1 A 33 33 CYS HA H 33 4.139 4.298 -0.159 1
1 365 . 17 1 1 A 33 33 CYS C C 33 177.175 175.678 1.497 1
1 366 . 17 1 1 A 33 33 CYS CA C 33 62.799 61.433 1.366 1
1 367 . 17 1 1 A 33 33 CYS CB C 33 29.256 27.832 1.424 1
1 368 . 17 1 1 A 33 33 CYS N N 33 120.275 120.000 0.275 1
1 369 . 17 1 1 A 34 34 VAL H H 34 7.144 7.528 -0.384 1
1 370 . 17 1 1 A 34 34 VAL HA H 34 4.599 4.207 0.392 1
1 378 . 17 1 1 A 34 34 VAL C C 34 176.099 175.867 0.232 1
1 379 . 17 1 1 A 34 34 VAL CA C 34 60.218 62.011 -1.793 1
1 380 . 17 1 1 A 34 34 VAL CB C 34 31.918 31.732 0.186 1
1 383 . 17 1 1 A 34 34 VAL N N 34 106.458 119.527 -13.069 1
1 384 . 17 1 1 A 35 35 GLY H H 35 7.519 7.816 -0.297 1
1 385 . 17 1 1 A 35 35 GLY HA2 H 35 3.897 3.918 -0.021 1
1 386 . 17 1 1 A 35 35 GLY HA3 H 35 3.954 3.931 0.023 1
1 387 . 17 1 1 A 35 35 GLY C C 35 174.669 174.592 0.077 1
1 388 . 17 1 1 A 35 35 GLY CA C 35 47.173 46.747 0.426 1
1 389 . 17 1 1 A 35 35 GLY N N 35 110.261 111.159 -0.898 1
1 390 . 17 1 1 A 36 36 VAL H H 36 7.556 8.261 -0.705 1
1 391 . 17 1 1 A 36 36 VAL HA H 36 4.480 4.129 0.351 1
1 399 . 17 1 1 A 36 36 VAL C C 36 174.103 175.147 -1.044 1
1 400 . 17 1 1 A 36 36 VAL CA C 36 60.273 61.264 -0.991 1
1 401 . 17 1 1 A 36 36 VAL CB C 36 34.388 32.984 1.404 1
1 404 . 17 1 1 A 36 36 VAL N N 36 117.579 119.757 -2.178 1
1 405 . 17 1 1 A 37 37 SER H H 37 8.097 8.612 -0.515 1
1 406 . 17 1 1 A 37 37 SER HA H 37 4.846 4.920 -0.074 1
1 409 . 17 1 1 A 37 37 SER CA C 37 55.675 55.708 -0.033 1
1 410 . 17 1 1 A 37 37 SER CB C 37 63.614 64.642 -1.028 1
1 411 . 17 1 1 A 37 37 SER N N 37 122.439 121.818 0.621 1
1 412 . 17 1 1 A 38 38 PRO HA H 38 4.467 4.252 0.215 1
1 418 . 17 1 1 A 38 38 PRO C C 38 179.393 178.627 0.766 1
1 419 . 17 1 1 A 38 38 PRO CA C 38 65.685 65.598 0.087 1
1 420 . 17 1 1 A 38 38 PRO CB C 38 32.027 31.913 0.114 1
1 423 . 17 1 1 A 39 39 GLU H H 39 8.536 8.391 0.145 1
1 424 . 17 1 1 A 39 39 GLU HA H 39 4.080 4.042 0.038 1
1 429 . 17 1 1 A 39 39 GLU C C 39 178.722 179.462 -0.740 1
1 430 . 17 1 1 A 39 39 GLU CA C 39 59.711 59.718 -0.007 1
1 431 . 17 1 1 A 39 39 GLU CB C 39 28.947 29.136 -0.189 1
1 433 . 17 1 1 A 39 39 GLU N N 39 116.083 117.264 -1.181 1
1 434 . 17 1 1 A 40 40 MET H H 40 7.578 8.275 -0.697 1
1 435 . 17 1 1 A 40 40 MET HA H 40 4.224 4.190 0.034 1
1 439 . 17 1 1 A 40 40 MET C C 40 178.433 178.168 0.265 1
1 440 . 17 1 1 A 40 40 MET CA C 40 58.112 58.574 -0.462 1
1 441 . 17 1 1 A 40 40 MET CB C 40 33.685 33.053 0.632 1
1 443 . 17 1 1 A 40 40 MET N N 40 119.520 118.959 0.561 1
1 444 . 17 1 1 A 41 41 ALA H H 41 8.324 7.533 0.791 1
1 445 . 17 1 1 A 41 41 ALA HA H 41 3.975 4.153 -0.178 1
1 449 . 17 1 1 A 41 41 ALA C C 41 177.857 178.632 -0.775 1
1 450 . 17 1 1 A 41 41 ALA CA C 41 54.797 54.255 0.542 1
1 451 . 17 1 1 A 41 41 ALA CB C 41 18.982 18.304 0.678 1
1 452 . 17 1 1 A 41 41 ALA N N 41 121.259 121.308 -0.049 1
1 453 . 17 1 1 A 42 42 GLU H H 42 7.833 7.830 0.003 1
1 454 . 17 1 1 A 42 42 GLU HA H 42 4.273 4.241 0.032 1
1 458 . 17 1 1 A 42 42 GLU C C 42 178.431 178.081 0.350 1
1 459 . 17 1 1 A 42 42 GLU CA C 42 58.268 58.093 0.175 1
1 460 . 17 1 1 A 42 42 GLU CB C 42 30.338 29.800 0.538 1
1 462 . 17 1 1 A 42 42 GLU N N 42 112.040 117.048 -5.008 1
1 463 . 17 1 1 A 43 43 ASN H H 43 7.688 7.660 0.028 1
1 464 . 17 1 1 A 43 43 ASN HA H 43 4.764 4.698 0.066 1
1 469 . 17 1 1 A 43 43 ASN C C 43 174.879 174.781 0.098 1
1 470 . 17 1 1 A 43 43 ASN CA C 43 54.854 55.009 -0.155 1
1 471 . 17 1 1 A 43 43 ASN CB C 43 41.148 40.110 1.038 1
1 472 . 17 1 1 A 43 43 ASN N N 43 113.488 118.301 -4.813 1
1 474 . 17 1 1 A 44 44 GLU H H 44 7.861 7.636 0.225 1
1 475 . 17 1 1 A 44 44 GLU HA H 44 4.777 4.777 0.000 1
1 480 . 17 1 1 A 44 44 GLU C C 44 176.482 175.464 1.018 1
1 481 . 17 1 1 A 44 44 GLU CA C 44 54.576 54.517 0.059 1
1 482 . 17 1 1 A 44 44 GLU CB C 44 32.781 34.548 -1.767 1
1 484 . 17 1 1 A 44 44 GLU N N 44 118.109 115.464 2.645 1
1 485 . 17 1 1 A 45 45 ASP H H 45 8.707 8.542 0.165 1
1 486 . 17 1 1 A 45 45 ASP HA H 45 4.755 4.695 0.060 1
1 488 . 17 1 1 A 45 45 ASP C C 45 176.643 175.233 1.410 1
1 489 . 17 1 1 A 45 45 ASP CA C 45 54.764 54.680 0.084 1
1 490 . 17 1 1 A 45 45 ASP CB C 45 40.807 40.949 -0.142 1
1 491 . 17 1 1 A 45 45 ASP N N 45 123.334 120.726 2.608 1
1 492 . 17 1 1 A 46 46 TYR H H 46 9.868 9.103 0.765 1
1 493 . 17 1 1 A 46 46 TYR HA H 46 4.671 5.496 -0.825 1
1 498 . 17 1 1 A 46 46 TYR C C 46 172.045 173.989 -1.944 1
1 499 . 17 1 1 A 46 46 TYR CA C 46 58.409 56.147 2.262 1
1 500 . 17 1 1 A 46 46 TYR CB C 46 40.085 41.820 -1.735 1
1 503 . 17 1 1 A 46 46 TYR N N 46 124.561 124.017 0.544 1
1 504 . 17 1 1 A 47 47 ILE H H 47 7.520 8.687 -1.167 1
1 505 . 17 1 1 A 47 47 ILE HA H 47 4.344 4.750 -0.406 1
1 515 . 17 1 1 A 47 47 ILE C C 47 174.691 175.485 -0.794 1
1 516 . 17 1 1 A 47 47 ILE CA C 47 58.279 59.648 -1.369 1
1 517 . 17 1 1 A 47 47 ILE CB C 47 37.652 40.665 -3.013 1
1 521 . 17 1 1 A 47 47 ILE N N 47 128.737 127.351 1.386 1
1 522 . 17 1 1 A 48 48 CYS H H 48 9.142 8.023 1.119 1
1 523 . 17 1 1 A 48 48 CYS HA H 48 4.126 4.581 -0.455 1
1 526 . 17 1 1 A 48 48 CYS C C 48 175.153 176.330 -1.177 1
1 527 . 17 1 1 A 48 48 CYS CA C 48 58.302 56.931 1.371 1
1 528 . 17 1 1 A 48 48 CYS CB C 48 32.494 28.754 3.740 1
1 529 . 17 1 1 A 48 48 CYS N N 48 130.912 124.876 6.036 1
1 530 . 17 1 1 A 49 49 ILE H H 49 7.748 8.436 -0.688 1
1 531 . 17 1 1 A 49 49 ILE HA H 49 3.956 3.949 0.007 1
1 541 . 17 1 1 A 49 49 ILE C C 49 177.115 177.380 -0.265 1
1 542 . 17 1 1 A 49 49 ILE CA C 49 63.096 63.305 -0.209 1
1 543 . 17 1 1 A 49 49 ILE CB C 49 38.630 38.028 0.602 1
1 547 . 17 1 1 A 49 49 ILE N N 49 113.518 117.319 -3.801 1
1 548 . 17 1 1 A 50 50 ASN H H 50 8.859 7.791 1.068 1
1 549 . 17 1 1 A 50 50 ASN HA H 50 4.709 4.585 0.124 1
1 554 . 17 1 1 A 50 50 ASN C C 50 176.868 176.391 0.477 1
1 555 . 17 1 1 A 50 50 ASN CA C 50 55.433 55.221 0.212 1
1 556 . 17 1 1 A 50 50 ASN CB C 50 39.690 38.875 0.815 1
1 557 . 17 1 1 A 50 50 ASN N N 50 121.721 119.350 2.371 1
1 559 . 17 1 1 A 51 51 CYS H H 51 8.213 7.822 0.391 1
1 560 . 17 1 1 A 51 51 CYS HA H 51 4.113 4.619 -0.506 1
1 563 . 17 1 1 A 51 51 CYS C C 51 174.832 175.381 -0.549 1
1 564 . 17 1 1 A 51 51 CYS CA C 51 62.048 59.690 2.358 1
1 565 . 17 1 1 A 51 51 CYS CB C 51 31.516 29.293 2.223 1
1 566 . 17 1 1 A 51 51 CYS N N 51 123.810 116.119 7.691 1
1 3 . 18 1 1 A 2 2 VAL H H 2 8.368 8.065 0.303 1
1 4 . 18 1 1 A 2 2 VAL HA H 2 5.250 4.636 0.614 1
1 12 . 18 1 1 A 2 2 VAL C C 2 176.070 174.937 1.133 1
1 13 . 18 1 1 A 2 2 VAL CA C 2 60.705 61.325 -0.620 1
1 14 . 18 1 1 A 2 2 VAL CB C 2 34.398 33.819 0.579 1
1 17 . 18 1 1 A 2 2 VAL N N 2 119.964 118.296 1.668 1
1 18 . 18 1 1 A 3 3 CYS H H 3 9.183 9.340 -0.157 1
1 19 . 18 1 1 A 3 3 CYS HA H 3 5.172 5.294 -0.122 1
1 22 . 18 1 1 A 3 3 CYS C C 3 173.772 173.188 0.584 1
1 23 . 18 1 1 A 3 3 CYS CA C 3 56.558 56.163 0.395 1
1 24 . 18 1 1 A 3 3 CYS CB C 3 32.206 31.085 1.121 1
1 25 . 18 1 1 A 3 3 CYS N N 3 128.120 124.536 3.584 1
1 26 . 18 1 1 A 4 4 ALA H H 4 7.110 8.115 -1.005 1
1 27 . 18 1 1 A 4 4 ALA HA H 4 4.234 5.031 -0.797 1
1 31 . 18 1 1 A 4 4 ALA C C 4 177.661 176.610 1.051 1
1 32 . 18 1 1 A 4 4 ALA CA C 4 52.987 50.742 2.245 1
1 33 . 18 1 1 A 4 4 ALA CB C 4 19.004 20.924 -1.920 1
1 34 . 18 1 1 A 4 4 ALA N N 4 117.697 123.831 -6.134 1
1 35 . 18 1 1 A 5 5 ALA H H 5 9.154 8.365 0.789 1
1 36 . 18 1 1 A 5 5 ALA HA H 5 4.565 4.900 -0.335 1
1 40 . 18 1 1 A 5 5 ALA C C 5 177.851 177.542 0.309 1
1 41 . 18 1 1 A 5 5 ALA CA C 5 53.029 52.066 0.963 1
1 42 . 18 1 1 A 5 5 ALA CB C 5 19.533 22.418 -2.885 1
1 43 . 18 1 1 A 5 5 ALA N N 5 125.563 124.836 0.727 1
1 44 . 18 1 1 A 6 6 GLN H H 6 8.946 8.831 0.115 1
1 45 . 18 1 1 A 6 6 GLN HA H 6 4.098 3.989 0.109 1
1 52 . 18 1 1 A 6 6 GLN C C 6 176.708 176.007 0.701 1
1 53 . 18 1 1 A 6 6 GLN CA C 6 58.555 59.512 -0.957 1
1 54 . 18 1 1 A 6 6 GLN CB C 6 28.397 28.934 -0.537 1
1 56 . 18 1 1 A 6 6 GLN N N 6 122.944 121.345 1.599 1
1 58 . 18 1 1 A 7 7 ASN H H 7 8.399 7.957 0.442 1
1 59 . 18 1 1 A 7 7 ASN HA H 7 4.848 5.023 -0.175 1
1 64 . 18 1 1 A 7 7 ASN C C 7 173.923 173.689 0.234 1
1 65 . 18 1 1 A 7 7 ASN CA C 7 51.808 51.562 0.246 1
1 66 . 18 1 1 A 7 7 ASN CB C 7 37.850 38.438 -0.588 1
1 67 . 18 1 1 A 7 7 ASN N N 7 115.700 116.988 -1.288 1
1 69 . 18 1 1 A 8 8 CYS H H 8 7.655 8.973 -1.318 1
1 70 . 18 1 1 A 8 8 CYS HA H 8 4.947 5.188 -0.241 1
1 73 . 18 1 1 A 8 8 CYS C C 8 177.267 173.546 3.721 1
1 74 . 18 1 1 A 8 8 CYS CA C 8 59.479 57.252 2.227 1
1 75 . 18 1 1 A 8 8 CYS CB C 8 29.085 29.931 -0.846 1
1 76 . 18 1 1 A 8 8 CYS N N 8 122.410 125.639 -3.229 1
1 77 . 18 1 1 A 9 9 GLN H H 9 9.901 8.599 1.302 1
1 78 . 18 1 1 A 9 9 GLN HA H 9 4.193 4.734 -0.541 1
1 85 . 18 1 1 A 9 9 GLN C C 9 175.088 174.943 0.145 1
1 86 . 18 1 1 A 9 9 GLN CA C 9 56.730 54.681 2.049 1
1 87 . 18 1 1 A 9 9 GLN CB C 9 28.833 30.683 -1.850 1
1 89 . 18 1 1 A 9 9 GLN N N 9 133.116 125.535 7.581 1
1 91 . 18 1 1 A 10 10 ARG H H 10 10.013 8.726 1.287 1
1 92 . 18 1 1 A 10 10 ARG HA H 10 4.138 4.784 -0.646 1
1 98 . 18 1 1 A 10 10 ARG CA C 10 55.426 52.319 3.107 1
1 99 . 18 1 1 A 10 10 ARG CB C 10 28.647 30.542 -1.895 1
1 102 . 18 1 1 A 10 10 ARG N N 10 121.692 122.862 -1.170 1
1 103 . 18 1 1 A 11 11 PRO HA H 11 4.178 4.256 -0.078 1
1 110 . 18 1 1 A 11 11 PRO C C 11 177.355 177.077 0.278 1
1 111 . 18 1 1 A 11 11 PRO CA C 11 63.005 65.602 -2.597 1
1 112 . 18 1 1 A 11 11 PRO CB C 11 31.662 31.334 0.328 1
1 115 . 18 1 1 A 12 12 CYS H H 12 8.662 7.998 0.664 1
1 116 . 18 1 1 A 12 12 CYS HA H 12 4.629 4.188 0.441 1
1 119 . 18 1 1 A 12 12 CYS C C 12 173.972 173.473 0.499 1
1 120 . 18 1 1 A 12 12 CYS CA C 12 58.103 59.738 -1.635 1
1 121 . 18 1 1 A 12 12 CYS CB C 12 27.951 26.566 1.385 1
1 122 . 18 1 1 A 12 12 CYS N N 12 120.690 115.828 4.862 1
1 123 . 18 1 1 A 13 13 LYS H H 13 7.138 8.279 -1.141 1
1 124 . 18 1 1 A 13 13 LYS HA H 13 4.406 4.872 -0.466 1
1 131 . 18 1 1 A 13 13 LYS C C 13 174.846 176.136 -1.290 1
1 132 . 18 1 1 A 13 13 LYS CA C 13 55.401 54.141 1.260 1
1 133 . 18 1 1 A 13 13 LYS CB C 13 34.650 35.981 -1.331 1
1 137 . 18 1 1 A 13 13 LYS N N 13 121.573 123.262 -1.689 1
1 138 . 18 1 1 A 14 14 ASP H H 14 8.395 8.473 -0.078 1
1 139 . 18 1 1 A 14 14 ASP HA H 14 4.301 4.440 -0.139 1
1 142 . 18 1 1 A 14 14 ASP C C 14 176.114 176.277 -0.163 1
1 143 . 18 1 1 A 14 14 ASP CA C 14 57.107 57.209 -0.102 1
1 144 . 18 1 1 A 14 14 ASP CB C 14 40.801 41.339 -0.538 1
1 145 . 18 1 1 A 14 14 ASP N N 14 118.919 121.172 -2.253 1
1 146 . 18 1 1 A 15 15 LYS H H 15 7.593 7.672 -0.079 1
1 147 . 18 1 1 A 15 15 LYS HA H 15 4.818 4.838 -0.020 1
1 155 . 18 1 1 A 15 15 LYS C C 15 175.145 175.661 -0.516 1
1 156 . 18 1 1 A 15 15 LYS CA C 15 55.491 55.020 0.471 1
1 157 . 18 1 1 A 15 15 LYS CB C 15 34.485 35.556 -1.071 1
1 161 . 18 1 1 A 15 15 LYS N N 15 117.259 117.321 -0.062 1
1 162 . 18 1 1 A 16 16 VAL H H 16 8.811 8.906 -0.095 1
1 163 . 18 1 1 A 16 16 VAL HA H 16 4.083 4.897 -0.814 1
1 171 . 18 1 1 A 16 16 VAL C C 16 174.356 173.793 0.563 1
1 172 . 18 1 1 A 16 16 VAL CA C 16 61.679 59.048 2.631 1
1 173 . 18 1 1 A 16 16 VAL CB C 16 34.315 36.076 -1.761 1
1 176 . 18 1 1 A 16 16 VAL N N 16 123.375 117.611 5.764 1
1 177 . 18 1 1 A 17 17 ASP H H 17 7.938 8.638 -0.700 1
1 178 . 18 1 1 A 17 17 ASP HA H 17 5.639 5.469 0.170 1
1 181 . 18 1 1 A 17 17 ASP C C 17 177.550 175.316 2.234 1
1 182 . 18 1 1 A 17 17 ASP CA C 17 54.991 53.017 1.974 1
1 183 . 18 1 1 A 17 17 ASP CB C 17 43.020 43.428 -0.408 1
1 184 . 18 1 1 A 17 17 ASP N N 17 124.698 121.771 2.927 1
1 185 . 18 1 1 A 18 18 TRP H H 18 9.636 9.165 0.471 1
1 186 . 18 1 1 A 18 18 TRP HA H 18 5.793 6.054 -0.261 1
1 195 . 18 1 1 A 18 18 TRP C C 18 176.051 175.352 0.699 1
1 196 . 18 1 1 A 18 18 TRP CA C 18 56.881 56.098 0.783 1
1 197 . 18 1 1 A 18 18 TRP CB C 18 34.097 34.339 -0.242 1
1 203 . 18 1 1 A 18 18 TRP N N 18 123.330 121.683 1.647 1
1 205 . 18 1 1 A 19 19 VAL H H 19 10.592 9.099 1.493 1
1 206 . 18 1 1 A 19 19 VAL HA H 19 5.409 5.104 0.305 1
1 214 . 18 1 1 A 19 19 VAL C C 19 170.168 174.232 -4.064 1
1 215 . 18 1 1 A 19 19 VAL CA C 19 60.297 60.779 -0.482 1
1 216 . 18 1 1 A 19 19 VAL CB C 19 36.269 36.329 -0.060 1
1 219 . 18 1 1 A 19 19 VAL N N 19 122.558 121.046 1.512 1
1 220 . 18 1 1 A 20 20 GLN H H 20 8.359 8.822 -0.463 1
1 221 . 18 1 1 A 20 20 GLN HA H 20 4.728 4.983 -0.255 1
1 228 . 18 1 1 A 20 20 GLN C C 20 176.280 175.684 0.596 1
1 229 . 18 1 1 A 20 20 GLN CA C 20 53.251 53.497 -0.246 1
1 230 . 18 1 1 A 20 20 GLN CB C 20 28.640 31.813 -3.173 1
1 232 . 18 1 1 A 20 20 GLN N N 20 132.425 125.957 6.468 1
1 234 . 18 1 1 A 21 21 CYS H H 21 8.618 8.415 0.203 1
1 235 . 18 1 1 A 21 21 CYS HA H 21 4.601 4.912 -0.311 1
1 238 . 18 1 1 A 21 21 CYS C C 21 177.580 174.760 2.820 1
1 239 . 18 1 1 A 21 21 CYS CA C 21 61.339 59.102 2.237 1
1 240 . 18 1 1 A 21 21 CYS CB C 21 32.597 28.170 4.427 1
1 241 . 18 1 1 A 21 21 CYS N N 21 128.017 123.827 4.190 1
1 242 . 18 1 1 A 22 22 ASP H H 22 10.211 9.429 0.782 1
1 243 . 18 1 1 A 22 22 ASP HA H 22 4.926 4.852 0.074 1
1 246 . 18 1 1 A 22 22 ASP C C 22 177.366 176.269 1.097 1
1 247 . 18 1 1 A 22 22 ASP CA C 22 56.782 54.175 2.607 1
1 248 . 18 1 1 A 22 22 ASP CB C 22 43.715 41.193 2.522 1
1 249 . 18 1 1 A 22 22 ASP N N 22 128.881 123.913 4.968 1
1 250 . 18 1 1 A 23 23 GLY H H 23 11.136 8.271 2.865 1
1 251 . 18 1 1 A 23 23 GLY HA2 H 23 3.556 3.990 -0.434 1
1 252 . 18 1 1 A 23 23 GLY HA3 H 23 4.026 3.995 0.031 1
1 253 . 18 1 1 A 23 23 GLY C C 23 173.584 174.909 -1.325 1
1 254 . 18 1 1 A 23 23 GLY CA C 23 45.651 44.578 1.073 1
1 255 . 18 1 1 A 23 23 GLY N N 23 117.638 108.493 9.145 1
1 256 . 18 1 1 A 24 24 GLY H H 24 8.906 8.613 0.293 1
1 257 . 18 1 1 A 24 24 GLY HA2 H 24 3.451 3.968 -0.517 1
1 258 . 18 1 1 A 24 24 GLY HA3 H 24 4.722 3.975 0.747 1
1 259 . 18 1 1 A 24 24 GLY C C 24 175.467 174.770 0.697 1
1 260 . 18 1 1 A 24 24 GLY CA C 24 45.165 45.230 -0.065 1
1 261 . 18 1 1 A 24 24 GLY N N 24 109.634 109.487 0.147 1
1 262 . 18 1 1 A 25 25 CYS H H 25 7.599 7.603 -0.004 1
1 263 . 18 1 1 A 25 25 CYS HA H 25 4.450 4.424 0.026 1
1 266 . 18 1 1 A 25 25 CYS C C 25 175.747 174.302 1.445 1
1 267 . 18 1 1 A 25 25 CYS CA C 25 60.192 59.150 1.042 1
1 268 . 18 1 1 A 25 25 CYS CB C 25 30.266 28.639 1.627 1
1 269 . 18 1 1 A 25 25 CYS N N 25 119.707 116.791 2.916 1
1 270 . 18 1 1 A 26 26 ASP H H 26 8.156 7.988 0.168 1
1 271 . 18 1 1 A 26 26 ASP HA H 26 4.364 4.096 0.268 1
1 274 . 18 1 1 A 26 26 ASP C C 26 175.426 174.378 1.048 1
1 275 . 18 1 1 A 26 26 ASP CA C 26 56.106 55.270 0.836 1
1 276 . 18 1 1 A 26 26 ASP CB C 26 40.889 39.057 1.832 1
1 277 . 18 1 1 A 26 26 ASP N N 26 118.432 118.067 0.365 1
1 278 . 18 1 1 A 27 27 GLU H H 27 9.181 7.407 1.774 1
1 279 . 18 1 1 A 27 27 GLU HA H 27 4.379 4.593 -0.214 1
1 284 . 18 1 1 A 27 27 GLU C C 27 175.329 175.449 -0.120 1
1 285 . 18 1 1 A 27 27 GLU CA C 27 58.179 54.468 3.711 1
1 286 . 18 1 1 A 27 27 GLU CB C 27 30.604 30.991 -0.387 1
1 288 . 18 1 1 A 27 27 GLU N N 27 122.798 116.667 6.131 1
1 289 . 18 1 1 A 28 28 TRP H H 28 8.472 8.727 -0.255 1
1 290 . 18 1 1 A 28 28 TRP HA H 28 4.934 5.743 -0.809 1
1 299 . 18 1 1 A 28 28 TRP C C 28 175.838 176.008 -0.170 1
1 300 . 18 1 1 A 28 28 TRP CA C 28 57.313 55.468 1.845 1
1 301 . 18 1 1 A 28 28 TRP CB C 28 31.956 30.773 1.183 1
1 307 . 18 1 1 A 28 28 TRP N N 28 117.567 120.664 -3.097 1
1 309 . 18 1 1 A 29 29 PHE H H 29 9.792 9.285 0.507 1
1 310 . 18 1 1 A 29 29 PHE HA H 29 4.865 5.303 -0.438 1
1 316 . 18 1 1 A 29 29 PHE C C 29 176.573 175.147 1.426 1
1 317 . 18 1 1 A 29 29 PHE CA C 29 56.788 56.451 0.337 1
1 318 . 18 1 1 A 29 29 PHE CB C 29 42.755 43.526 -0.771 1
1 322 . 18 1 1 A 29 29 PHE N N 29 120.754 122.247 -1.493 1
1 323 . 18 1 1 A 30 30 HIS H H 30 9.889 8.525 1.364 1
1 324 . 18 1 1 A 30 30 HIS HA H 30 4.383 4.992 -0.609 1
1 328 . 18 1 1 A 30 30 HIS C C 30 177.229 176.395 0.834 1
1 329 . 18 1 1 A 30 30 HIS CA C 30 57.127 55.715 1.412 1
1 330 . 18 1 1 A 30 30 HIS CB C 30 29.589 30.992 -1.403 1
1 332 . 18 1 1 A 30 30 HIS N N 30 124.925 118.408 6.517 1
1 333 . 18 1 1 A 31 31 GLN H H 31 8.636 9.225 -0.589 1
1 334 . 18 1 1 A 31 31 GLN HA H 31 3.563 3.917 -0.354 1
1 341 . 18 1 1 A 31 31 GLN C C 31 178.836 178.032 0.804 1
1 342 . 18 1 1 A 31 31 GLN CA C 31 60.702 59.217 1.485 1
1 343 . 18 1 1 A 31 31 GLN CB C 31 26.688 28.402 -1.714 1
1 345 . 18 1 1 A 31 31 GLN N N 31 124.356 123.202 1.154 1
1 347 . 18 1 1 A 32 32 VAL H H 32 8.975 7.895 1.080 1
1 348 . 18 1 1 A 32 32 VAL HA H 32 4.096 3.880 0.216 1
1 356 . 18 1 1 A 32 32 VAL CA C 32 64.568 64.554 0.014 1
1 357 . 18 1 1 A 32 32 VAL CB C 32 31.689 31.485 0.204 1
1 360 . 18 1 1 A 32 32 VAL N N 32 114.507 115.986 -1.479 1
1 361 . 18 1 1 A 33 33 CYS H H 33 6.770 7.619 -0.849 1
1 362 . 18 1 1 A 33 33 CYS HA H 33 4.139 4.303 -0.164 1
1 365 . 18 1 1 A 33 33 CYS C C 33 177.175 175.671 1.504 1
1 366 . 18 1 1 A 33 33 CYS CA C 33 62.799 61.319 1.480 1
1 367 . 18 1 1 A 33 33 CYS CB C 33 29.256 27.793 1.463 1
1 368 . 18 1 1 A 33 33 CYS N N 33 120.275 119.972 0.303 1
1 369 . 18 1 1 A 34 34 VAL H H 34 7.144 7.492 -0.348 1
1 370 . 18 1 1 A 34 34 VAL HA H 34 4.599 4.222 0.377 1
1 378 . 18 1 1 A 34 34 VAL C C 34 176.099 175.980 0.119 1
1 379 . 18 1 1 A 34 34 VAL CA C 34 60.218 62.169 -1.951 1
1 380 . 18 1 1 A 34 34 VAL CB C 34 31.918 31.762 0.156 1
1 383 . 18 1 1 A 34 34 VAL N N 34 106.458 119.191 -12.733 1
1 384 . 18 1 1 A 35 35 GLY H H 35 7.519 7.838 -0.319 1
1 385 . 18 1 1 A 35 35 GLY HA2 H 35 3.897 3.920 -0.023 1
1 386 . 18 1 1 A 35 35 GLY HA3 H 35 3.954 3.930 0.024 1
1 387 . 18 1 1 A 35 35 GLY C C 35 174.669 174.584 0.085 1
1 388 . 18 1 1 A 35 35 GLY CA C 35 47.173 46.769 0.404 1
1 389 . 18 1 1 A 35 35 GLY N N 35 110.261 111.321 -1.060 1
1 390 . 18 1 1 A 36 36 VAL H H 36 7.556 8.383 -0.827 1
1 391 . 18 1 1 A 36 36 VAL HA H 36 4.480 4.097 0.383 1
1 399 . 18 1 1 A 36 36 VAL C C 36 174.103 175.066 -0.963 1
1 400 . 18 1 1 A 36 36 VAL CA C 36 60.273 61.215 -0.942 1
1 401 . 18 1 1 A 36 36 VAL CB C 36 34.388 32.972 1.416 1
1 404 . 18 1 1 A 36 36 VAL N N 36 117.579 119.995 -2.416 1
1 405 . 18 1 1 A 37 37 SER H H 37 8.097 8.607 -0.510 1
1 406 . 18 1 1 A 37 37 SER HA H 37 4.846 4.921 -0.075 1
1 409 . 18 1 1 A 37 37 SER CA C 37 55.675 55.717 -0.042 1
1 410 . 18 1 1 A 37 37 SER CB C 37 63.614 64.512 -0.898 1
1 411 . 18 1 1 A 37 37 SER N N 37 122.439 121.886 0.553 1
1 412 . 18 1 1 A 38 38 PRO HA H 38 4.467 4.562 -0.095 1
1 418 . 18 1 1 A 38 38 PRO C C 38 179.393 178.569 0.824 1
1 419 . 18 1 1 A 38 38 PRO CA C 38 65.685 65.721 -0.036 1
1 420 . 18 1 1 A 38 38 PRO CB C 38 32.027 31.678 0.349 1
1 423 . 18 1 1 A 39 39 GLU H H 39 8.536 8.504 0.032 1
1 424 . 18 1 1 A 39 39 GLU HA H 39 4.080 4.114 -0.034 1
1 429 . 18 1 1 A 39 39 GLU C C 39 178.722 179.109 -0.387 1
1 430 . 18 1 1 A 39 39 GLU CA C 39 59.711 59.309 0.402 1
1 431 . 18 1 1 A 39 39 GLU CB C 39 28.947 28.893 0.054 1
1 433 . 18 1 1 A 39 39 GLU N N 39 116.083 117.458 -1.375 1
1 434 . 18 1 1 A 40 40 MET H H 40 7.578 8.169 -0.591 1
1 435 . 18 1 1 A 40 40 MET HA H 40 4.224 4.146 0.078 1
1 439 . 18 1 1 A 40 40 MET C C 40 178.433 178.135 0.298 1
1 440 . 18 1 1 A 40 40 MET CA C 40 58.112 58.510 -0.398 1
1 441 . 18 1 1 A 40 40 MET CB C 40 33.685 33.176 0.509 1
1 443 . 18 1 1 A 40 40 MET N N 40 119.520 119.465 0.055 1
1 444 . 18 1 1 A 41 41 ALA H H 41 8.324 7.458 0.866 1
1 445 . 18 1 1 A 41 41 ALA HA H 41 3.975 4.159 -0.184 1
1 449 . 18 1 1 A 41 41 ALA C C 41 177.857 178.858 -1.001 1
1 450 . 18 1 1 A 41 41 ALA CA C 41 54.797 54.136 0.661 1
1 451 . 18 1 1 A 41 41 ALA CB C 41 18.982 18.439 0.543 1
1 452 . 18 1 1 A 41 41 ALA N N 41 121.259 121.323 -0.064 1
1 453 . 18 1 1 A 42 42 GLU H H 42 7.833 7.855 -0.022 1
1 454 . 18 1 1 A 42 42 GLU HA H 42 4.273 4.237 0.036 1
1 458 . 18 1 1 A 42 42 GLU C C 42 178.431 178.003 0.428 1
1 459 . 18 1 1 A 42 42 GLU CA C 42 58.268 58.689 -0.421 1
1 460 . 18 1 1 A 42 42 GLU CB C 42 30.338 29.758 0.580 1
1 462 . 18 1 1 A 42 42 GLU N N 42 112.040 117.574 -5.534 1
1 463 . 18 1 1 A 43 43 ASN H H 43 7.688 7.623 0.065 1
1 464 . 18 1 1 A 43 43 ASN HA H 43 4.764 4.753 0.011 1
1 469 . 18 1 1 A 43 43 ASN C C 43 174.879 175.490 -0.611 1
1 470 . 18 1 1 A 43 43 ASN CA C 43 54.854 54.857 -0.003 1
1 471 . 18 1 1 A 43 43 ASN CB C 43 41.148 39.806 1.342 1
1 472 . 18 1 1 A 43 43 ASN N N 43 113.488 116.210 -2.722 1
1 474 . 18 1 1 A 44 44 GLU H H 44 7.861 7.785 0.076 1
1 475 . 18 1 1 A 44 44 GLU HA H 44 4.777 4.786 -0.009 1
1 480 . 18 1 1 A 44 44 GLU C C 44 176.482 175.776 0.706 1
1 481 . 18 1 1 A 44 44 GLU CA C 44 54.576 54.490 0.086 1
1 482 . 18 1 1 A 44 44 GLU CB C 44 32.781 34.361 -1.580 1
1 484 . 18 1 1 A 44 44 GLU N N 44 118.109 117.087 1.022 1
1 485 . 18 1 1 A 45 45 ASP H H 45 8.707 8.588 0.119 1
1 486 . 18 1 1 A 45 45 ASP HA H 45 4.755 4.757 -0.002 1
1 488 . 18 1 1 A 45 45 ASP C C 45 176.643 175.181 1.462 1
1 489 . 18 1 1 A 45 45 ASP CA C 45 54.764 54.365 0.399 1
1 490 . 18 1 1 A 45 45 ASP CB C 45 40.807 41.033 -0.226 1
1 491 . 18 1 1 A 45 45 ASP N N 45 123.334 121.180 2.154 1
1 492 . 18 1 1 A 46 46 TYR H H 46 9.868 9.086 0.782 1
1 493 . 18 1 1 A 46 46 TYR HA H 46 4.671 5.318 -0.647 1
1 498 . 18 1 1 A 46 46 TYR C C 46 172.045 174.004 -1.959 1
1 499 . 18 1 1 A 46 46 TYR CA C 46 58.409 56.285 2.124 1
1 500 . 18 1 1 A 46 46 TYR CB C 46 40.085 40.800 -0.715 1
1 503 . 18 1 1 A 46 46 TYR N N 46 124.561 125.255 -0.694 1
1 504 . 18 1 1 A 47 47 ILE H H 47 7.520 8.837 -1.317 1
1 505 . 18 1 1 A 47 47 ILE HA H 47 4.344 4.420 -0.076 1
1 515 . 18 1 1 A 47 47 ILE C C 47 174.691 175.648 -0.957 1
1 516 . 18 1 1 A 47 47 ILE CA C 47 58.279 59.874 -1.595 1
1 517 . 18 1 1 A 47 47 ILE CB C 47 37.652 38.988 -1.336 1
1 521 . 18 1 1 A 47 47 ILE N N 47 128.737 127.464 1.273 1
1 522 . 18 1 1 A 48 48 CYS H H 48 9.142 8.553 0.589 1
1 523 . 18 1 1 A 48 48 CYS HA H 48 4.126 4.285 -0.159 1
1 526 . 18 1 1 A 48 48 CYS C C 48 175.153 176.136 -0.983 1
1 527 . 18 1 1 A 48 48 CYS CA C 48 58.302 57.709 0.593 1
1 528 . 18 1 1 A 48 48 CYS CB C 48 32.494 29.790 2.704 1
1 529 . 18 1 1 A 48 48 CYS N N 48 130.912 127.002 3.910 1
1 530 . 18 1 1 A 49 49 ILE H H 49 7.748 8.656 -0.908 1
1 531 . 18 1 1 A 49 49 ILE HA H 49 3.956 3.763 0.193 1
1 541 . 18 1 1 A 49 49 ILE C C 49 177.115 177.553 -0.438 1
1 542 . 18 1 1 A 49 49 ILE CA C 49 63.096 64.024 -0.928 1
1 543 . 18 1 1 A 49 49 ILE CB C 49 38.630 37.601 1.029 1
1 547 . 18 1 1 A 49 49 ILE N N 49 113.518 118.594 -5.076 1
1 548 . 18 1 1 A 50 50 ASN H H 50 8.859 8.257 0.602 1
1 549 . 18 1 1 A 50 50 ASN HA H 50 4.709 4.545 0.164 1
1 554 . 18 1 1 A 50 50 ASN C C 50 176.868 176.743 0.125 1
1 555 . 18 1 1 A 50 50 ASN CA C 50 55.433 55.820 -0.387 1
1 556 . 18 1 1 A 50 50 ASN CB C 50 39.690 38.521 1.169 1
1 557 . 18 1 1 A 50 50 ASN N N 50 121.721 119.722 1.999 1
1 559 . 18 1 1 A 51 51 CYS H H 51 8.213 7.543 0.670 1
1 560 . 18 1 1 A 51 51 CYS HA H 51 4.113 4.418 -0.305 1
1 563 . 18 1 1 A 51 51 CYS C C 51 174.832 174.683 0.149 1
1 564 . 18 1 1 A 51 51 CYS CA C 51 62.048 59.158 2.890 1
1 565 . 18 1 1 A 51 51 CYS CB C 51 31.516 27.149 4.367 1
1 566 . 18 1 1 A 51 51 CYS N N 51 123.810 115.889 7.921 1
1 3 . 19 1 1 A 2 2 VAL H H 2 8.368 9.224 -0.856 1
1 4 . 19 1 1 A 2 2 VAL HA H 2 5.250 4.731 0.519 1
1 12 . 19 1 1 A 2 2 VAL C C 2 176.070 175.586 0.484 1
1 13 . 19 1 1 A 2 2 VAL CA C 2 60.705 61.364 -0.659 1
1 14 . 19 1 1 A 2 2 VAL CB C 2 34.398 33.922 0.476 1
1 17 . 19 1 1 A 2 2 VAL N N 2 119.964 127.065 -7.101 1
1 18 . 19 1 1 A 3 3 CYS H H 3 9.183 8.797 0.386 1
1 19 . 19 1 1 A 3 3 CYS HA H 3 5.172 5.207 -0.035 1
1 22 . 19 1 1 A 3 3 CYS C C 3 173.772 174.624 -0.852 1
1 23 . 19 1 1 A 3 3 CYS CA C 3 56.558 56.485 0.073 1
1 24 . 19 1 1 A 3 3 CYS CB C 3 32.206 30.048 2.158 1
1 25 . 19 1 1 A 3 3 CYS N N 3 128.120 124.127 3.993 1
1 26 . 19 1 1 A 4 4 ALA H H 4 7.110 8.535 -1.425 1
1 27 . 19 1 1 A 4 4 ALA HA H 4 4.234 4.632 -0.398 1
1 31 . 19 1 1 A 4 4 ALA C C 4 177.661 176.307 1.354 1
1 32 . 19 1 1 A 4 4 ALA CA C 4 52.987 51.372 1.615 1
1 33 . 19 1 1 A 4 4 ALA CB C 4 19.004 17.580 1.424 1
1 34 . 19 1 1 A 4 4 ALA N N 4 117.697 123.298 -5.601 1
1 35 . 19 1 1 A 5 5 ALA H H 5 9.154 7.485 1.669 1
1 36 . 19 1 1 A 5 5 ALA HA H 5 4.565 4.779 -0.214 1
1 40 . 19 1 1 A 5 5 ALA C C 5 177.851 177.980 -0.129 1
1 41 . 19 1 1 A 5 5 ALA CA C 5 53.029 50.708 2.321 1
1 42 . 19 1 1 A 5 5 ALA CB C 5 19.533 20.547 -1.014 1
1 43 . 19 1 1 A 5 5 ALA N N 5 125.563 122.995 2.568 1
1 44 . 19 1 1 A 6 6 GLN H H 6 8.946 8.707 0.239 1
1 45 . 19 1 1 A 6 6 GLN HA H 6 4.098 4.026 0.072 1
1 52 . 19 1 1 A 6 6 GLN C C 6 176.708 176.758 -0.050 1
1 53 . 19 1 1 A 6 6 GLN CA C 6 58.555 59.411 -0.856 1
1 54 . 19 1 1 A 6 6 GLN CB C 6 28.397 28.643 -0.246 1
1 56 . 19 1 1 A 6 6 GLN N N 6 122.944 123.278 -0.334 1
1 58 . 19 1 1 A 7 7 ASN H H 7 8.399 7.828 0.571 1
1 59 . 19 1 1 A 7 7 ASN HA H 7 4.848 4.966 -0.118 1
1 64 . 19 1 1 A 7 7 ASN C C 7 173.923 173.730 0.193 1
1 65 . 19 1 1 A 7 7 ASN CA C 7 51.808 51.569 0.239 1
1 66 . 19 1 1 A 7 7 ASN CB C 7 37.850 38.622 -0.772 1
1 67 . 19 1 1 A 7 7 ASN N N 7 115.700 116.436 -0.736 1
1 69 . 19 1 1 A 8 8 CYS H H 8 7.655 8.635 -0.980 1
1 70 . 19 1 1 A 8 8 CYS HA H 8 4.947 5.232 -0.285 1
1 73 . 19 1 1 A 8 8 CYS C C 8 177.267 173.724 3.543 1
1 74 . 19 1 1 A 8 8 CYS CA C 8 59.479 57.579 1.900 1
1 75 . 19 1 1 A 8 8 CYS CB C 8 29.085 30.075 -0.990 1
1 76 . 19 1 1 A 8 8 CYS N N 8 122.410 123.600 -1.190 1
1 77 . 19 1 1 A 9 9 GLN H H 9 9.901 8.612 1.289 1
1 78 . 19 1 1 A 9 9 GLN HA H 9 4.193 4.812 -0.619 1
1 85 . 19 1 1 A 9 9 GLN C C 9 175.088 174.211 0.877 1
1 86 . 19 1 1 A 9 9 GLN CA C 9 56.730 54.823 1.907 1
1 87 . 19 1 1 A 9 9 GLN CB C 9 28.833 31.326 -2.493 1
1 89 . 19 1 1 A 9 9 GLN N N 9 133.116 125.365 7.751 1
1 91 . 19 1 1 A 10 10 ARG H H 10 10.013 8.627 1.386 1
1 92 . 19 1 1 A 10 10 ARG HA H 10 4.138 4.652 -0.514 1
1 98 . 19 1 1 A 10 10 ARG CA C 10 55.426 52.748 2.678 1
1 99 . 19 1 1 A 10 10 ARG CB C 10 28.647 31.256 -2.609 1
1 102 . 19 1 1 A 10 10 ARG N N 10 121.692 123.787 -2.095 1
1 103 . 19 1 1 A 11 11 PRO HA H 11 4.178 4.281 -0.103 1
1 110 . 19 1 1 A 11 11 PRO C C 11 177.355 178.030 -0.675 1
1 111 . 19 1 1 A 11 11 PRO CA C 11 63.005 65.474 -2.469 1
1 112 . 19 1 1 A 11 11 PRO CB C 11 31.662 31.355 0.307 1
1 115 . 19 1 1 A 12 12 CYS H H 12 8.662 8.078 0.584 1
1 116 . 19 1 1 A 12 12 CYS HA H 12 4.629 4.193 0.436 1
1 119 . 19 1 1 A 12 12 CYS C C 12 173.972 174.134 -0.162 1
1 120 . 19 1 1 A 12 12 CYS CA C 12 58.103 60.016 -1.913 1
1 121 . 19 1 1 A 12 12 CYS CB C 12 27.951 25.525 2.426 1
1 122 . 19 1 1 A 12 12 CYS N N 12 120.690 115.045 5.645 1
1 123 . 19 1 1 A 13 13 LYS H H 13 7.138 7.946 -0.808 1
1 124 . 19 1 1 A 13 13 LYS HA H 13 4.406 4.481 -0.075 1
1 131 . 19 1 1 A 13 13 LYS C C 13 174.846 177.529 -2.683 1
1 132 . 19 1 1 A 13 13 LYS CA C 13 55.401 55.307 0.094 1
1 133 . 19 1 1 A 13 13 LYS CB C 13 34.650 33.700 0.950 1
1 137 . 19 1 1 A 13 13 LYS N N 13 121.573 120.125 1.448 1
1 138 . 19 1 1 A 14 14 ASP H H 14 8.395 8.671 -0.276 1
1 139 . 19 1 1 A 14 14 ASP HA H 14 4.301 4.341 -0.040 1
1 142 . 19 1 1 A 14 14 ASP C C 14 176.114 176.655 -0.541 1
1 143 . 19 1 1 A 14 14 ASP CA C 14 57.107 57.362 -0.255 1
1 144 . 19 1 1 A 14 14 ASP CB C 14 40.801 41.248 -0.447 1
1 145 . 19 1 1 A 14 14 ASP N N 14 118.919 120.943 -2.024 1
1 146 . 19 1 1 A 15 15 LYS H H 15 7.593 7.739 -0.146 1
1 147 . 19 1 1 A 15 15 LYS HA H 15 4.818 4.868 -0.050 1
1 155 . 19 1 1 A 15 15 LYS C C 15 175.145 174.952 0.193 1
1 156 . 19 1 1 A 15 15 LYS CA C 15 55.491 55.391 0.100 1
1 157 . 19 1 1 A 15 15 LYS CB C 15 34.485 36.356 -1.871 1
1 161 . 19 1 1 A 15 15 LYS N N 15 117.259 117.180 0.079 1
1 162 . 19 1 1 A 16 16 VAL H H 16 8.811 8.866 -0.055 1
1 163 . 19 1 1 A 16 16 VAL HA H 16 4.083 4.901 -0.818 1
1 171 . 19 1 1 A 16 16 VAL C C 16 174.356 173.754 0.602 1
1 172 . 19 1 1 A 16 16 VAL CA C 16 61.679 59.210 2.469 1
1 173 . 19 1 1 A 16 16 VAL CB C 16 34.315 35.830 -1.515 1
1 176 . 19 1 1 A 16 16 VAL N N 16 123.375 117.609 5.766 1
1 177 . 19 1 1 A 17 17 ASP H H 17 7.938 8.611 -0.673 1
1 178 . 19 1 1 A 17 17 ASP HA H 17 5.639 5.437 0.202 1
1 181 . 19 1 1 A 17 17 ASP C C 17 177.550 175.415 2.135 1
1 182 . 19 1 1 A 17 17 ASP CA C 17 54.991 53.079 1.912 1
1 183 . 19 1 1 A 17 17 ASP CB C 17 43.020 43.323 -0.303 1
1 184 . 19 1 1 A 17 17 ASP N N 17 124.698 122.317 2.381 1
1 185 . 19 1 1 A 18 18 TRP H H 18 9.636 9.119 0.517 1
1 186 . 19 1 1 A 18 18 TRP HA H 18 5.793 6.018 -0.225 1
1 195 . 19 1 1 A 18 18 TRP C C 18 176.051 175.380 0.671 1
1 196 . 19 1 1 A 18 18 TRP CA C 18 56.881 56.151 0.730 1
1 197 . 19 1 1 A 18 18 TRP CB C 18 34.097 34.407 -0.310 1
1 203 . 19 1 1 A 18 18 TRP N N 18 123.330 121.739 1.591 1
1 205 . 19 1 1 A 19 19 VAL H H 19 10.592 9.084 1.508 1
1 206 . 19 1 1 A 19 19 VAL HA H 19 5.409 5.107 0.302 1
1 214 . 19 1 1 A 19 19 VAL C C 19 170.168 174.002 -3.834 1
1 215 . 19 1 1 A 19 19 VAL CA C 19 60.297 60.804 -0.507 1
1 216 . 19 1 1 A 19 19 VAL CB C 19 36.269 36.053 0.216 1
1 219 . 19 1 1 A 19 19 VAL N N 19 122.558 121.045 1.513 1
1 220 . 19 1 1 A 20 20 GLN H H 20 8.359 8.752 -0.393 1
1 221 . 19 1 1 A 20 20 GLN HA H 20 4.728 4.761 -0.033 1
1 228 . 19 1 1 A 20 20 GLN C C 20 176.280 175.532 0.748 1
1 229 . 19 1 1 A 20 20 GLN CA C 20 53.251 53.697 -0.446 1
1 230 . 19 1 1 A 20 20 GLN CB C 20 28.640 30.688 -2.048 1
1 232 . 19 1 1 A 20 20 GLN N N 20 132.425 125.991 6.434 1
1 234 . 19 1 1 A 21 21 CYS H H 21 8.618 8.510 0.108 1
1 235 . 19 1 1 A 21 21 CYS HA H 21 4.601 4.436 0.165 1
1 238 . 19 1 1 A 21 21 CYS C C 21 177.580 175.741 1.839 1
1 239 . 19 1 1 A 21 21 CYS CA C 21 61.339 59.768 1.571 1
1 240 . 19 1 1 A 21 21 CYS CB C 21 32.597 28.725 3.872 1
1 241 . 19 1 1 A 21 21 CYS N N 21 128.017 124.816 3.201 1
1 242 . 19 1 1 A 22 22 ASP H H 22 10.211 9.298 0.913 1
1 243 . 19 1 1 A 22 22 ASP HA H 22 4.926 4.758 0.168 1
1 246 . 19 1 1 A 22 22 ASP C C 22 177.366 176.678 0.688 1
1 247 . 19 1 1 A 22 22 ASP CA C 22 56.782 54.882 1.900 1
1 248 . 19 1 1 A 22 22 ASP CB C 22 43.715 41.117 2.598 1
1 249 . 19 1 1 A 22 22 ASP N N 22 128.881 126.256 2.625 1
1 250 . 19 1 1 A 23 23 GLY H H 23 11.136 8.051 3.085 1
1 251 . 19 1 1 A 23 23 GLY HA2 H 23 3.556 3.980 -0.424 1
1 252 . 19 1 1 A 23 23 GLY HA3 H 23 4.026 3.987 0.039 1
1 253 . 19 1 1 A 23 23 GLY C C 23 173.584 174.645 -1.061 1
1 254 . 19 1 1 A 23 23 GLY CA C 23 45.651 44.556 1.095 1
1 255 . 19 1 1 A 23 23 GLY N N 23 117.638 108.191 9.447 1
1 256 . 19 1 1 A 24 24 GLY H H 24 8.906 8.616 0.290 1
1 257 . 19 1 1 A 24 24 GLY HA2 H 24 3.451 3.966 -0.515 1
1 258 . 19 1 1 A 24 24 GLY HA3 H 24 4.722 3.976 0.746 1
1 259 . 19 1 1 A 24 24 GLY C C 24 175.467 174.949 0.518 1
1 260 . 19 1 1 A 24 24 GLY CA C 24 45.165 45.029 0.136 1
1 261 . 19 1 1 A 24 24 GLY N N 24 109.634 109.480 0.154 1
1 262 . 19 1 1 A 25 25 CYS H H 25 7.599 7.676 -0.077 1
1 263 . 19 1 1 A 25 25 CYS HA H 25 4.450 4.415 0.035 1
1 266 . 19 1 1 A 25 25 CYS C C 25 175.747 174.091 1.656 1
1 267 . 19 1 1 A 25 25 CYS CA C 25 60.192 62.296 -2.104 1
1 268 . 19 1 1 A 25 25 CYS CB C 25 30.266 28.705 1.561 1
1 269 . 19 1 1 A 25 25 CYS N N 25 119.707 117.843 1.864 1
1 270 . 19 1 1 A 26 26 ASP H H 26 8.156 7.920 0.236 1
1 271 . 19 1 1 A 26 26 ASP HA H 26 4.364 4.011 0.353 1
1 274 . 19 1 1 A 26 26 ASP C C 26 175.426 174.742 0.684 1
1 275 . 19 1 1 A 26 26 ASP CA C 26 56.106 55.300 0.806 1
1 276 . 19 1 1 A 26 26 ASP CB C 26 40.889 39.201 1.688 1
1 277 . 19 1 1 A 26 26 ASP N N 26 118.432 117.455 0.977 1
1 278 . 19 1 1 A 27 27 GLU H H 27 9.181 7.855 1.326 1
1 279 . 19 1 1 A 27 27 GLU HA H 27 4.379 4.254 0.125 1
1 284 . 19 1 1 A 27 27 GLU C C 27 175.329 175.895 -0.566 1
1 285 . 19 1 1 A 27 27 GLU CA C 27 58.179 55.679 2.500 1
1 286 . 19 1 1 A 27 27 GLU CB C 27 30.604 30.119 0.485 1
1 288 . 19 1 1 A 27 27 GLU N N 27 122.798 117.307 5.491 1
1 289 . 19 1 1 A 28 28 TRP H H 28 8.472 8.768 -0.296 1
1 290 . 19 1 1 A 28 28 TRP HA H 28 4.934 5.271 -0.337 1
1 299 . 19 1 1 A 28 28 TRP C C 28 175.838 176.153 -0.315 1
1 300 . 19 1 1 A 28 28 TRP CA C 28 57.313 55.824 1.489 1
1 301 . 19 1 1 A 28 28 TRP CB C 28 31.956 30.427 1.529 1
1 307 . 19 1 1 A 28 28 TRP N N 28 117.567 123.122 -5.555 1
1 309 . 19 1 1 A 29 29 PHE H H 29 9.792 9.509 0.283 1
1 310 . 19 1 1 A 29 29 PHE HA H 29 4.865 5.168 -0.303 1
1 316 . 19 1 1 A 29 29 PHE C C 29 176.573 175.021 1.552 1
1 317 . 19 1 1 A 29 29 PHE CA C 29 56.788 56.357 0.431 1
1 318 . 19 1 1 A 29 29 PHE CB C 29 42.755 43.573 -0.818 1
1 322 . 19 1 1 A 29 29 PHE N N 29 120.754 121.589 -0.835 1
1 323 . 19 1 1 A 30 30 HIS H H 30 9.889 8.554 1.335 1
1 324 . 19 1 1 A 30 30 HIS HA H 30 4.383 4.960 -0.577 1
1 328 . 19 1 1 A 30 30 HIS C C 30 177.229 176.689 0.540 1
1 329 . 19 1 1 A 30 30 HIS CA C 30 57.127 55.386 1.741 1
1 330 . 19 1 1 A 30 30 HIS CB C 30 29.589 31.294 -1.705 1
1 332 . 19 1 1 A 30 30 HIS N N 30 124.925 118.313 6.612 1
1 333 . 19 1 1 A 31 31 GLN H H 31 8.636 8.899 -0.263 1
1 334 . 19 1 1 A 31 31 GLN HA H 31 3.563 3.954 -0.391 1
1 341 . 19 1 1 A 31 31 GLN C C 31 178.836 178.121 0.715 1
1 342 . 19 1 1 A 31 31 GLN CA C 31 60.702 59.263 1.439 1
1 343 . 19 1 1 A 31 31 GLN CB C 31 26.688 28.365 -1.677 1
1 345 . 19 1 1 A 31 31 GLN N N 31 124.356 123.049 1.307 1
1 347 . 19 1 1 A 32 32 VAL H H 32 8.975 7.888 1.087 1
1 348 . 19 1 1 A 32 32 VAL HA H 32 4.096 3.870 0.226 1
1 356 . 19 1 1 A 32 32 VAL CA C 32 64.568 64.596 -0.028 1
1 357 . 19 1 1 A 32 32 VAL CB C 32 31.689 31.367 0.322 1
1 360 . 19 1 1 A 32 32 VAL N N 32 114.507 115.951 -1.444 1
1 361 . 19 1 1 A 33 33 CYS H H 33 6.770 7.582 -0.812 1
1 362 . 19 1 1 A 33 33 CYS HA H 33 4.139 4.320 -0.181 1
1 365 . 19 1 1 A 33 33 CYS C C 33 177.175 175.559 1.616 1
1 366 . 19 1 1 A 33 33 CYS CA C 33 62.799 61.144 1.655 1
1 367 . 19 1 1 A 33 33 CYS CB C 33 29.256 27.886 1.370 1
1 368 . 19 1 1 A 33 33 CYS N N 33 120.275 119.764 0.511 1
1 369 . 19 1 1 A 34 34 VAL H H 34 7.144 7.385 -0.241 1
1 370 . 19 1 1 A 34 34 VAL HA H 34 4.599 4.230 0.369 1
1 378 . 19 1 1 A 34 34 VAL C C 34 176.099 175.817 0.282 1
1 379 . 19 1 1 A 34 34 VAL CA C 34 60.218 61.904 -1.686 1
1 380 . 19 1 1 A 34 34 VAL CB C 34 31.918 31.770 0.148 1
1 383 . 19 1 1 A 34 34 VAL N N 34 106.458 119.309 -12.851 1
1 384 . 19 1 1 A 35 35 GLY H H 35 7.519 7.779 -0.260 1
1 385 . 19 1 1 A 35 35 GLY HA2 H 35 3.897 3.907 -0.010 1
1 386 . 19 1 1 A 35 35 GLY HA3 H 35 3.954 3.911 0.043 1
1 387 . 19 1 1 A 35 35 GLY C C 35 174.669 174.576 0.093 1
1 388 . 19 1 1 A 35 35 GLY CA C 35 47.173 46.641 0.532 1
1 389 . 19 1 1 A 35 35 GLY N N 35 110.261 111.114 -0.853 1
1 390 . 19 1 1 A 36 36 VAL H H 36 7.556 8.333 -0.777 1
1 391 . 19 1 1 A 36 36 VAL HA H 36 4.480 4.126 0.354 1
1 399 . 19 1 1 A 36 36 VAL C C 36 174.103 174.954 -0.851 1
1 400 . 19 1 1 A 36 36 VAL CA C 36 60.273 61.492 -1.219 1
1 401 . 19 1 1 A 36 36 VAL CB C 36 34.388 32.919 1.469 1
1 404 . 19 1 1 A 36 36 VAL N N 36 117.579 120.139 -2.560 1
1 405 . 19 1 1 A 37 37 SER H H 37 8.097 8.560 -0.463 1
1 406 . 19 1 1 A 37 37 SER HA H 37 4.846 4.927 -0.081 1
1 409 . 19 1 1 A 37 37 SER CA C 37 55.675 55.327 0.348 1
1 410 . 19 1 1 A 37 37 SER CB C 37 63.614 64.687 -1.073 1
1 411 . 19 1 1 A 37 37 SER N N 37 122.439 120.155 2.284 1
1 412 . 19 1 1 A 38 38 PRO HA H 38 4.467 4.209 0.258 1
1 418 . 19 1 1 A 38 38 PRO C C 38 179.393 178.939 0.454 1
1 419 . 19 1 1 A 38 38 PRO CA C 38 65.685 65.648 0.037 1
1 420 . 19 1 1 A 38 38 PRO CB C 38 32.027 31.750 0.277 1
1 423 . 19 1 1 A 39 39 GLU H H 39 8.536 8.490 0.046 1
1 424 . 19 1 1 A 39 39 GLU HA H 39 4.080 4.167 -0.087 1
1 429 . 19 1 1 A 39 39 GLU C C 39 178.722 179.454 -0.732 1
1 430 . 19 1 1 A 39 39 GLU CA C 39 59.711 59.749 -0.038 1
1 431 . 19 1 1 A 39 39 GLU CB C 39 28.947 29.149 -0.202 1
1 433 . 19 1 1 A 39 39 GLU N N 39 116.083 117.745 -1.662 1
1 434 . 19 1 1 A 40 40 MET H H 40 7.578 8.108 -0.530 1
1 435 . 19 1 1 A 40 40 MET HA H 40 4.224 4.177 0.047 1
1 439 . 19 1 1 A 40 40 MET C C 40 178.433 178.051 0.382 1
1 440 . 19 1 1 A 40 40 MET CA C 40 58.112 58.775 -0.663 1
1 441 . 19 1 1 A 40 40 MET CB C 40 33.685 33.266 0.419 1
1 443 . 19 1 1 A 40 40 MET N N 40 119.520 119.024 0.496 1
1 444 . 19 1 1 A 41 41 ALA H H 41 8.324 7.634 0.690 1
1 445 . 19 1 1 A 41 41 ALA HA H 41 3.975 4.184 -0.209 1
1 449 . 19 1 1 A 41 41 ALA C C 41 177.857 178.816 -0.959 1
1 450 . 19 1 1 A 41 41 ALA CA C 41 54.797 54.563 0.234 1
1 451 . 19 1 1 A 41 41 ALA CB C 41 18.982 18.390 0.592 1
1 452 . 19 1 1 A 41 41 ALA N N 41 121.259 121.222 0.037 1
1 453 . 19 1 1 A 42 42 GLU H H 42 7.833 7.958 -0.125 1
1 454 . 19 1 1 A 42 42 GLU HA H 42 4.273 4.307 -0.034 1
1 458 . 19 1 1 A 42 42 GLU C C 42 178.431 178.166 0.265 1
1 459 . 19 1 1 A 42 42 GLU CA C 42 58.268 58.359 -0.091 1
1 460 . 19 1 1 A 42 42 GLU CB C 42 30.338 30.223 0.115 1
1 462 . 19 1 1 A 42 42 GLU N N 42 112.040 117.034 -4.994 1
1 463 . 19 1 1 A 43 43 ASN H H 43 7.688 7.578 0.110 1
1 464 . 19 1 1 A 43 43 ASN HA H 43 4.764 4.714 0.050 1
1 469 . 19 1 1 A 43 43 ASN C C 43 174.879 175.260 -0.381 1
1 470 . 19 1 1 A 43 43 ASN CA C 43 54.854 55.030 -0.176 1
1 471 . 19 1 1 A 43 43 ASN CB C 43 41.148 39.618 1.530 1
1 472 . 19 1 1 A 43 43 ASN N N 43 113.488 116.321 -2.833 1
1 474 . 19 1 1 A 44 44 GLU H H 44 7.861 7.587 0.274 1
1 475 . 19 1 1 A 44 44 GLU HA H 44 4.777 4.796 -0.019 1
1 480 . 19 1 1 A 44 44 GLU C C 44 176.482 175.598 0.884 1
1 481 . 19 1 1 A 44 44 GLU CA C 44 54.576 54.846 -0.270 1
1 482 . 19 1 1 A 44 44 GLU CB C 44 32.781 34.255 -1.474 1
1 484 . 19 1 1 A 44 44 GLU N N 44 118.109 117.158 0.951 1
1 485 . 19 1 1 A 45 45 ASP H H 45 8.707 8.452 0.255 1
1 486 . 19 1 1 A 45 45 ASP HA H 45 4.755 4.919 -0.164 1
1 488 . 19 1 1 A 45 45 ASP C C 45 176.643 175.051 1.592 1
1 489 . 19 1 1 A 45 45 ASP CA C 45 54.764 54.413 0.351 1
1 490 . 19 1 1 A 45 45 ASP CB C 45 40.807 40.819 -0.012 1
1 491 . 19 1 1 A 45 45 ASP N N 45 123.334 120.764 2.570 1
1 492 . 19 1 1 A 46 46 TYR H H 46 9.868 9.320 0.548 1
1 493 . 19 1 1 A 46 46 TYR HA H 46 4.671 5.504 -0.833 1
1 498 . 19 1 1 A 46 46 TYR C C 46 172.045 173.858 -1.813 1
1 499 . 19 1 1 A 46 46 TYR CA C 46 58.409 56.204 2.205 1
1 500 . 19 1 1 A 46 46 TYR CB C 46 40.085 41.797 -1.712 1
1 503 . 19 1 1 A 46 46 TYR N N 46 124.561 124.526 0.035 1
1 504 . 19 1 1 A 47 47 ILE H H 47 7.520 8.801 -1.281 1
1 505 . 19 1 1 A 47 47 ILE HA H 47 4.344 4.589 -0.245 1
1 515 . 19 1 1 A 47 47 ILE C C 47 174.691 175.634 -0.943 1
1 516 . 19 1 1 A 47 47 ILE CA C 47 58.279 59.277 -0.998 1
1 517 . 19 1 1 A 47 47 ILE CB C 47 37.652 41.002 -3.350 1
1 521 . 19 1 1 A 47 47 ILE N N 47 128.737 126.969 1.768 1
1 522 . 19 1 1 A 48 48 CYS H H 48 9.142 8.147 0.995 1
1 523 . 19 1 1 A 48 48 CYS HA H 48 4.126 4.382 -0.256 1
1 526 . 19 1 1 A 48 48 CYS C C 48 175.153 176.714 -1.561 1
1 527 . 19 1 1 A 48 48 CYS CA C 48 58.302 57.222 1.080 1
1 528 . 19 1 1 A 48 48 CYS CB C 48 32.494 28.169 4.325 1
1 529 . 19 1 1 A 48 48 CYS N N 48 130.912 124.847 6.065 1
1 530 . 19 1 1 A 49 49 ILE H H 49 7.748 8.499 -0.751 1
1 531 . 19 1 1 A 49 49 ILE HA H 49 3.956 3.922 0.034 1
1 541 . 19 1 1 A 49 49 ILE C C 49 177.115 177.778 -0.663 1
1 542 . 19 1 1 A 49 49 ILE CA C 49 63.096 64.023 -0.927 1
1 543 . 19 1 1 A 49 49 ILE CB C 49 38.630 37.534 1.096 1
1 547 . 19 1 1 A 49 49 ILE N N 49 113.518 117.374 -3.856 1
1 548 . 19 1 1 A 50 50 ASN H H 50 8.859 8.419 0.440 1
1 549 . 19 1 1 A 50 50 ASN HA H 50 4.709 4.535 0.174 1
1 554 . 19 1 1 A 50 50 ASN C C 50 176.868 176.923 -0.055 1
1 555 . 19 1 1 A 50 50 ASN CA C 50 55.433 55.984 -0.551 1
1 556 . 19 1 1 A 50 50 ASN CB C 50 39.690 38.659 1.031 1
1 557 . 19 1 1 A 50 50 ASN N N 50 121.721 119.389 2.332 1
1 559 . 19 1 1 A 51 51 CYS H H 51 8.213 7.752 0.461 1
1 560 . 19 1 1 A 51 51 CYS HA H 51 4.113 4.474 -0.361 1
1 563 . 19 1 1 A 51 51 CYS C C 51 174.832 175.766 -0.934 1
1 564 . 19 1 1 A 51 51 CYS CA C 51 62.048 59.247 2.801 1
1 565 . 19 1 1 A 51 51 CYS CB C 51 31.516 28.532 2.984 1
1 566 . 19 1 1 A 51 51 CYS N N 51 123.810 114.681 9.129 1
1 3 . 20 1 1 A 2 2 VAL H H 2 8.368 8.047 0.321 1
1 4 . 20 1 1 A 2 2 VAL HA H 2 5.250 4.676 0.574 1
1 12 . 20 1 1 A 2 2 VAL C C 2 176.070 174.734 1.336 1
1 13 . 20 1 1 A 2 2 VAL CA C 2 60.705 61.240 -0.535 1
1 14 . 20 1 1 A 2 2 VAL CB C 2 34.398 34.022 0.376 1
1 17 . 20 1 1 A 2 2 VAL N N 2 119.964 118.466 1.498 1
1 18 . 20 1 1 A 3 3 CYS H H 3 9.183 9.221 -0.038 1
1 19 . 20 1 1 A 3 3 CYS HA H 3 5.172 5.255 -0.083 1
1 22 . 20 1 1 A 3 3 CYS C C 3 173.772 173.886 -0.114 1
1 23 . 20 1 1 A 3 3 CYS CA C 3 56.558 56.349 0.209 1
1 24 . 20 1 1 A 3 3 CYS CB C 3 32.206 31.718 0.488 1
1 25 . 20 1 1 A 3 3 CYS N N 3 128.120 124.451 3.669 1
1 26 . 20 1 1 A 4 4 ALA H H 4 7.110 8.490 -1.380 1
1 27 . 20 1 1 A 4 4 ALA HA H 4 4.234 4.748 -0.514 1
1 31 . 20 1 1 A 4 4 ALA C C 4 177.661 176.284 1.377 1
1 32 . 20 1 1 A 4 4 ALA CA C 4 52.987 51.284 1.703 1
1 33 . 20 1 1 A 4 4 ALA CB C 4 19.004 17.858 1.146 1
1 34 . 20 1 1 A 4 4 ALA N N 4 117.697 123.744 -6.047 1
1 35 . 20 1 1 A 5 5 ALA H H 5 9.154 7.399 1.755 1
1 36 . 20 1 1 A 5 5 ALA HA H 5 4.565 4.790 -0.225 1
1 40 . 20 1 1 A 5 5 ALA C C 5 177.851 177.917 -0.066 1
1 41 . 20 1 1 A 5 5 ALA CA C 5 53.029 50.666 2.363 1
1 42 . 20 1 1 A 5 5 ALA CB C 5 19.533 20.836 -1.303 1
1 43 . 20 1 1 A 5 5 ALA N N 5 125.563 122.900 2.663 1
1 44 . 20 1 1 A 6 6 GLN H H 6 8.946 8.650 0.296 1
1 45 . 20 1 1 A 6 6 GLN HA H 6 4.098 4.036 0.062 1
1 52 . 20 1 1 A 6 6 GLN C C 6 176.708 176.804 -0.096 1
1 53 . 20 1 1 A 6 6 GLN CA C 6 58.555 59.420 -0.865 1
1 54 . 20 1 1 A 6 6 GLN CB C 6 28.397 28.668 -0.271 1
1 56 . 20 1 1 A 6 6 GLN N N 6 122.944 122.061 0.883 1
1 58 . 20 1 1 A 7 7 ASN H H 7 8.399 7.830 0.569 1
1 59 . 20 1 1 A 7 7 ASN HA H 7 4.848 4.925 -0.077 1
1 64 . 20 1 1 A 7 7 ASN C C 7 173.923 173.871 0.052 1
1 65 . 20 1 1 A 7 7 ASN CA C 7 51.808 51.603 0.205 1
1 66 . 20 1 1 A 7 7 ASN CB C 7 37.850 38.402 -0.552 1
1 67 . 20 1 1 A 7 7 ASN N N 7 115.700 116.301 -0.601 1
1 69 . 20 1 1 A 8 8 CYS H H 8 7.655 8.761 -1.106 1
1 70 . 20 1 1 A 8 8 CYS HA H 8 4.947 5.196 -0.249 1
1 73 . 20 1 1 A 8 8 CYS C C 8 177.267 173.613 3.654 1
1 74 . 20 1 1 A 8 8 CYS CA C 8 59.479 57.451 2.028 1
1 75 . 20 1 1 A 8 8 CYS CB C 8 29.085 29.965 -0.880 1
1 76 . 20 1 1 A 8 8 CYS N N 8 122.410 124.250 -1.840 1
1 77 . 20 1 1 A 9 9 GLN H H 9 9.901 8.652 1.249 1
1 78 . 20 1 1 A 9 9 GLN HA H 9 4.193 4.797 -0.604 1
1 85 . 20 1 1 A 9 9 GLN C C 9 175.088 174.683 0.405 1
1 86 . 20 1 1 A 9 9 GLN CA C 9 56.730 54.609 2.121 1
1 87 . 20 1 1 A 9 9 GLN CB C 9 28.833 31.086 -2.253 1
1 89 . 20 1 1 A 9 9 GLN N N 9 133.116 125.298 7.818 1
1 91 . 20 1 1 A 10 10 ARG H H 10 10.013 8.772 1.241 1
1 92 . 20 1 1 A 10 10 ARG HA H 10 4.138 4.761 -0.623 1
1 98 . 20 1 1 A 10 10 ARG CA C 10 55.426 52.451 2.975 1
1 99 . 20 1 1 A 10 10 ARG CB C 10 28.647 30.540 -1.893 1
1 102 . 20 1 1 A 10 10 ARG N N 10 121.692 123.487 -1.795 1
1 103 . 20 1 1 A 11 11 PRO HA H 11 4.178 4.219 -0.041 1
1 110 . 20 1 1 A 11 11 PRO C C 11 177.355 177.273 0.082 1
1 111 . 20 1 1 A 11 11 PRO CA C 11 63.005 65.449 -2.444 1
1 112 . 20 1 1 A 11 11 PRO CB C 11 31.662 31.389 0.273 1
1 115 . 20 1 1 A 12 12 CYS H H 12 8.662 7.930 0.732 1
1 116 . 20 1 1 A 12 12 CYS HA H 12 4.629 4.144 0.485 1
1 119 . 20 1 1 A 12 12 CYS C C 12 173.972 173.965 0.007 1
1 120 . 20 1 1 A 12 12 CYS CA C 12 58.103 60.339 -2.236 1
1 121 . 20 1 1 A 12 12 CYS CB C 12 27.951 26.471 1.480 1
1 122 . 20 1 1 A 12 12 CYS N N 12 120.690 114.961 5.729 1
1 123 . 20 1 1 A 13 13 LYS H H 13 7.138 7.921 -0.783 1
1 124 . 20 1 1 A 13 13 LYS HA H 13 4.406 4.297 0.109 1
1 131 . 20 1 1 A 13 13 LYS C C 13 174.846 177.319 -2.473 1
1 132 . 20 1 1 A 13 13 LYS CA C 13 55.401 55.735 -0.334 1
1 133 . 20 1 1 A 13 13 LYS CB C 13 34.650 33.459 1.191 1
1 137 . 20 1 1 A 13 13 LYS N N 13 121.573 119.781 1.792 1
1 138 . 20 1 1 A 14 14 ASP H H 14 8.395 8.848 -0.453 1
1 139 . 20 1 1 A 14 14 ASP HA H 14 4.301 4.439 -0.138 1
1 142 . 20 1 1 A 14 14 ASP C C 14 176.114 175.897 0.217 1
1 143 . 20 1 1 A 14 14 ASP CA C 14 57.107 57.055 0.052 1
1 144 . 20 1 1 A 14 14 ASP CB C 14 40.801 40.286 0.515 1
1 145 . 20 1 1 A 14 14 ASP N N 14 118.919 121.194 -2.275 1
1 146 . 20 1 1 A 15 15 LYS H H 15 7.593 8.089 -0.496 1
1 147 . 20 1 1 A 15 15 LYS HA H 15 4.818 4.596 0.222 1
1 155 . 20 1 1 A 15 15 LYS C C 15 175.145 175.372 -0.227 1
1 156 . 20 1 1 A 15 15 LYS CA C 15 55.491 55.325 0.166 1
1 157 . 20 1 1 A 15 15 LYS CB C 15 34.485 32.558 1.927 1
1 161 . 20 1 1 A 15 15 LYS N N 15 117.259 117.371 -0.112 1
1 162 . 20 1 1 A 16 16 VAL H H 16 8.811 9.096 -0.285 1
1 163 . 20 1 1 A 16 16 VAL HA H 16 4.083 5.010 -0.927 1
1 171 . 20 1 1 A 16 16 VAL C C 16 174.356 174.480 -0.124 1
1 172 . 20 1 1 A 16 16 VAL CA C 16 61.679 60.125 1.554 1
1 173 . 20 1 1 A 16 16 VAL CB C 16 34.315 34.486 -0.171 1
1 176 . 20 1 1 A 16 16 VAL N N 16 123.375 118.655 4.720 1
1 177 . 20 1 1 A 17 17 ASP H H 17 7.938 8.641 -0.703 1
1 178 . 20 1 1 A 17 17 ASP HA H 17 5.639 5.520 0.119 1
1 181 . 20 1 1 A 17 17 ASP C C 17 177.550 175.398 2.152 1
1 182 . 20 1 1 A 17 17 ASP CA C 17 54.991 53.069 1.922 1
1 183 . 20 1 1 A 17 17 ASP CB C 17 43.020 43.418 -0.398 1
1 184 . 20 1 1 A 17 17 ASP N N 17 124.698 123.152 1.546 1
1 185 . 20 1 1 A 18 18 TRP H H 18 9.636 9.166 0.470 1
1 186 . 20 1 1 A 18 18 TRP HA H 18 5.793 5.862 -0.069 1
1 195 . 20 1 1 A 18 18 TRP C C 18 176.051 175.461 0.590 1
1 196 . 20 1 1 A 18 18 TRP CA C 18 56.881 56.057 0.824 1
1 197 . 20 1 1 A 18 18 TRP CB C 18 34.097 34.433 -0.336 1
1 203 . 20 1 1 A 18 18 TRP N N 18 123.330 121.636 1.694 1
1 205 . 20 1 1 A 19 19 VAL H H 19 10.592 9.092 1.500 1
1 206 . 20 1 1 A 19 19 VAL HA H 19 5.409 5.096 0.313 1
1 214 . 20 1 1 A 19 19 VAL C C 19 170.168 173.929 -3.761 1
1 215 . 20 1 1 A 19 19 VAL CA C 19 60.297 60.846 -0.549 1
1 216 . 20 1 1 A 19 19 VAL CB C 19 36.269 36.108 0.161 1
1 219 . 20 1 1 A 19 19 VAL N N 19 122.558 120.887 1.671 1
1 220 . 20 1 1 A 20 20 GLN H H 20 8.359 8.937 -0.578 1
1 221 . 20 1 1 A 20 20 GLN HA H 20 4.728 4.990 -0.262 1
1 228 . 20 1 1 A 20 20 GLN C C 20 176.280 175.703 0.577 1
1 229 . 20 1 1 A 20 20 GLN CA C 20 53.251 53.424 -0.173 1
1 230 . 20 1 1 A 20 20 GLN CB C 20 28.640 31.457 -2.817 1
1 232 . 20 1 1 A 20 20 GLN N N 20 132.425 126.118 6.307 1
1 234 . 20 1 1 A 21 21 CYS H H 21 8.618 8.312 0.306 1
1 235 . 20 1 1 A 21 21 CYS HA H 21 4.601 4.810 -0.209 1
1 238 . 20 1 1 A 21 21 CYS C C 21 177.580 174.727 2.853 1
1 239 . 20 1 1 A 21 21 CYS CA C 21 61.339 59.259 2.080 1
1 240 . 20 1 1 A 21 21 CYS CB C 21 32.597 28.151 4.446 1
1 241 . 20 1 1 A 21 21 CYS N N 21 128.017 123.928 4.089 1
1 242 . 20 1 1 A 22 22 ASP H H 22 10.211 9.416 0.795 1
1 243 . 20 1 1 A 22 22 ASP HA H 22 4.926 4.843 0.083 1
1 246 . 20 1 1 A 22 22 ASP C C 22 177.366 176.262 1.104 1
1 247 . 20 1 1 A 22 22 ASP CA C 22 56.782 54.182 2.600 1
1 248 . 20 1 1 A 22 22 ASP CB C 22 43.715 41.299 2.416 1
1 249 . 20 1 1 A 22 22 ASP N N 22 128.881 123.952 4.929 1
1 250 . 20 1 1 A 23 23 GLY H H 23 11.136 8.178 2.958 1
1 251 . 20 1 1 A 23 23 GLY HA2 H 23 3.556 3.985 -0.429 1
1 252 . 20 1 1 A 23 23 GLY HA3 H 23 4.026 3.992 0.034 1
1 253 . 20 1 1 A 23 23 GLY C C 23 173.584 174.636 -1.052 1
1 254 . 20 1 1 A 23 23 GLY CA C 23 45.651 44.474 1.177 1
1 255 . 20 1 1 A 23 23 GLY N N 23 117.638 108.365 9.273 1
1 256 . 20 1 1 A 24 24 GLY H H 24 8.906 8.614 0.292 1
1 257 . 20 1 1 A 24 24 GLY HA2 H 24 3.451 3.998 -0.547 1
1 258 . 20 1 1 A 24 24 GLY HA3 H 24 4.722 4.007 0.715 1
1 259 . 20 1 1 A 24 24 GLY C C 24 175.467 174.681 0.786 1
1 260 . 20 1 1 A 24 24 GLY CA C 24 45.165 45.015 0.150 1
1 261 . 20 1 1 A 24 24 GLY N N 24 109.634 109.563 0.071 1
1 262 . 20 1 1 A 25 25 CYS H H 25 7.599 7.555 0.044 1
1 263 . 20 1 1 A 25 25 CYS HA H 25 4.450 4.404 0.046 1
1 266 . 20 1 1 A 25 25 CYS C C 25 175.747 174.191 1.556 1
1 267 . 20 1 1 A 25 25 CYS CA C 25 60.192 59.087 1.105 1
1 268 . 20 1 1 A 25 25 CYS CB C 25 30.266 28.763 1.503 1
1 269 . 20 1 1 A 25 25 CYS N N 25 119.707 116.572 3.135 1
1 270 . 20 1 1 A 26 26 ASP H H 26 8.156 8.002 0.154 1
1 271 . 20 1 1 A 26 26 ASP HA H 26 4.364 4.099 0.265 1
1 274 . 20 1 1 A 26 26 ASP C C 26 175.426 174.813 0.613 1
1 275 . 20 1 1 A 26 26 ASP CA C 26 56.106 55.259 0.847 1
1 276 . 20 1 1 A 26 26 ASP CB C 26 40.889 39.087 1.802 1
1 277 . 20 1 1 A 26 26 ASP N N 26 118.432 117.991 0.441 1
1 278 . 20 1 1 A 27 27 GLU H H 27 9.181 7.710 1.471 1
1 279 . 20 1 1 A 27 27 GLU HA H 27 4.379 4.267 0.112 1
1 284 . 20 1 1 A 27 27 GLU C C 27 175.329 175.759 -0.430 1
1 285 . 20 1 1 A 27 27 GLU CA C 27 58.179 55.585 2.594 1
1 286 . 20 1 1 A 27 27 GLU CB C 27 30.604 30.306 0.298 1
1 288 . 20 1 1 A 27 27 GLU N N 27 122.798 117.416 5.382 1
1 289 . 20 1 1 A 28 28 TRP H H 28 8.472 8.787 -0.315 1
1 290 . 20 1 1 A 28 28 TRP HA H 28 4.934 5.275 -0.341 1
1 299 . 20 1 1 A 28 28 TRP C C 28 175.838 176.188 -0.350 1
1 300 . 20 1 1 A 28 28 TRP CA C 28 57.313 55.825 1.488 1
1 301 . 20 1 1 A 28 28 TRP CB C 28 31.956 30.457 1.499 1
1 307 . 20 1 1 A 28 28 TRP N N 28 117.567 122.295 -4.728 1
1 309 . 20 1 1 A 29 29 PHE H H 29 9.792 9.428 0.364 1
1 310 . 20 1 1 A 29 29 PHE HA H 29 4.865 5.504 -0.639 1
1 316 . 20 1 1 A 29 29 PHE C C 29 176.573 174.872 1.701 1
1 317 . 20 1 1 A 29 29 PHE CA C 29 56.788 56.325 0.463 1
1 318 . 20 1 1 A 29 29 PHE CB C 29 42.755 43.654 -0.899 1
1 322 . 20 1 1 A 29 29 PHE N N 29 120.754 121.395 -0.641 1
1 323 . 20 1 1 A 30 30 HIS H H 30 9.889 8.609 1.280 1
1 324 . 20 1 1 A 30 30 HIS HA H 30 4.383 4.855 -0.472 1
1 328 . 20 1 1 A 30 30 HIS C C 30 177.229 176.470 0.759 1
1 329 . 20 1 1 A 30 30 HIS CA C 30 57.127 55.334 1.793 1
1 330 . 20 1 1 A 30 30 HIS CB C 30 29.589 31.152 -1.563 1
1 332 . 20 1 1 A 30 30 HIS N N 30 124.925 118.318 6.607 1
1 333 . 20 1 1 A 31 31 GLN H H 31 8.636 8.741 -0.105 1
1 334 . 20 1 1 A 31 31 GLN HA H 31 3.563 3.960 -0.397 1
1 341 . 20 1 1 A 31 31 GLN C C 31 178.836 178.012 0.824 1
1 342 . 20 1 1 A 31 31 GLN CA C 31 60.702 59.163 1.539 1
1 343 . 20 1 1 A 31 31 GLN CB C 31 26.688 28.372 -1.684 1
1 345 . 20 1 1 A 31 31 GLN N N 31 124.356 123.212 1.144 1
1 347 . 20 1 1 A 32 32 VAL H H 32 8.975 7.823 1.152 1
1 348 . 20 1 1 A 32 32 VAL HA H 32 4.096 3.879 0.217 1
1 356 . 20 1 1 A 32 32 VAL CA C 32 64.568 64.560 0.008 1
1 357 . 20 1 1 A 32 32 VAL CB C 32 31.689 31.415 0.274 1
1 360 . 20 1 1 A 32 32 VAL N N 32 114.507 115.890 -1.383 1
1 361 . 20 1 1 A 33 33 CYS H H 33 6.770 7.599 -0.829 1
1 362 . 20 1 1 A 33 33 CYS HA H 33 4.139 4.316 -0.177 1
1 365 . 20 1 1 A 33 33 CYS C C 33 177.175 175.479 1.696 1
1 366 . 20 1 1 A 33 33 CYS CA C 33 62.799 60.961 1.838 1
1 367 . 20 1 1 A 33 33 CYS CB C 33 29.256 27.951 1.305 1
1 368 . 20 1 1 A 33 33 CYS N N 33 120.275 119.742 0.533 1
1 369 . 20 1 1 A 34 34 VAL H H 34 7.144 7.344 -0.200 1
1 370 . 20 1 1 A 34 34 VAL HA H 34 4.599 4.264 0.335 1
1 378 . 20 1 1 A 34 34 VAL C C 34 176.099 175.991 0.108 1
1 379 . 20 1 1 A 34 34 VAL CA C 34 60.218 61.682 -1.464 1
1 380 . 20 1 1 A 34 34 VAL CB C 34 31.918 31.704 0.214 1
1 383 . 20 1 1 A 34 34 VAL N N 34 106.458 119.555 -13.097 1
1 384 . 20 1 1 A 35 35 GLY H H 35 7.519 7.889 -0.370 1
1 385 . 20 1 1 A 35 35 GLY HA2 H 35 3.897 3.915 -0.018 1
1 386 . 20 1 1 A 35 35 GLY HA3 H 35 3.954 3.922 0.032 1
1 387 . 20 1 1 A 35 35 GLY C C 35 174.669 174.640 0.029 1
1 388 . 20 1 1 A 35 35 GLY CA C 35 47.173 46.744 0.429 1
1 389 . 20 1 1 A 35 35 GLY N N 35 110.261 111.122 -0.861 1
1 390 . 20 1 1 A 36 36 VAL H H 36 7.556 8.442 -0.886 1
1 391 . 20 1 1 A 36 36 VAL HA H 36 4.480 4.005 0.475 1
1 399 . 20 1 1 A 36 36 VAL C C 36 174.103 175.327 -1.224 1
1 400 . 20 1 1 A 36 36 VAL CA C 36 60.273 61.768 -1.495 1
1 401 . 20 1 1 A 36 36 VAL CB C 36 34.388 32.749 1.639 1
1 404 . 20 1 1 A 36 36 VAL N N 36 117.579 120.257 -2.678 1
1 405 . 20 1 1 A 37 37 SER H H 37 8.097 8.657 -0.560 1
1 406 . 20 1 1 A 37 37 SER HA H 37 4.846 4.978 -0.132 1
1 409 . 20 1 1 A 37 37 SER CA C 37 55.675 55.431 0.244 1
1 410 . 20 1 1 A 37 37 SER CB C 37 63.614 64.496 -0.882 1
1 411 . 20 1 1 A 37 37 SER N N 37 122.439 122.094 0.345 1
1 412 . 20 1 1 A 38 38 PRO HA H 38 4.467 4.416 0.051 1
1 418 . 20 1 1 A 38 38 PRO C C 38 179.393 177.964 1.429 1
1 419 . 20 1 1 A 38 38 PRO CA C 38 65.685 65.653 0.032 1
1 420 . 20 1 1 A 38 38 PRO CB C 38 32.027 31.736 0.291 1
1 423 . 20 1 1 A 39 39 GLU H H 39 8.536 8.354 0.182 1
1 424 . 20 1 1 A 39 39 GLU HA H 39 4.080 4.105 -0.025 1
1 429 . 20 1 1 A 39 39 GLU C C 39 178.722 178.860 -0.138 1
1 430 . 20 1 1 A 39 39 GLU CA C 39 59.711 59.428 0.283 1
1 431 . 20 1 1 A 39 39 GLU CB C 39 28.947 28.902 0.045 1
1 433 . 20 1 1 A 39 39 GLU N N 39 116.083 118.047 -1.964 1
1 434 . 20 1 1 A 40 40 MET H H 40 7.578 8.170 -0.592 1
1 435 . 20 1 1 A 40 40 MET HA H 40 4.224 4.200 0.024 1
1 439 . 20 1 1 A 40 40 MET C C 40 178.433 178.241 0.192 1
1 440 . 20 1 1 A 40 40 MET CA C 40 58.112 58.508 -0.396 1
1 441 . 20 1 1 A 40 40 MET CB C 40 33.685 33.183 0.502 1
1 443 . 20 1 1 A 40 40 MET N N 40 119.520 118.625 0.895 1
1 444 . 20 1 1 A 41 41 ALA H H 41 8.324 7.494 0.830 1
1 445 . 20 1 1 A 41 41 ALA HA H 41 3.975 4.164 -0.189 1
1 449 . 20 1 1 A 41 41 ALA C C 41 177.857 178.516 -0.659 1
1 450 . 20 1 1 A 41 41 ALA CA C 41 54.797 54.187 0.610 1
1 451 . 20 1 1 A 41 41 ALA CB C 41 18.982 18.359 0.623 1
1 452 . 20 1 1 A 41 41 ALA N N 41 121.259 121.332 -0.073 1
1 453 . 20 1 1 A 42 42 GLU H H 42 7.833 7.737 0.096 1
1 454 . 20 1 1 A 42 42 GLU HA H 42 4.273 4.241 0.032 1
1 458 . 20 1 1 A 42 42 GLU C C 42 178.431 178.454 -0.023 1
1 459 . 20 1 1 A 42 42 GLU CA C 42 58.268 58.491 -0.223 1
1 460 . 20 1 1 A 42 42 GLU CB C 42 30.338 29.707 0.631 1
1 462 . 20 1 1 A 42 42 GLU N N 42 112.040 117.655 -5.615 1
1 463 . 20 1 1 A 43 43 ASN H H 43 7.688 7.591 0.097 1
1 464 . 20 1 1 A 43 43 ASN HA H 43 4.764 4.669 0.095 1
1 469 . 20 1 1 A 43 43 ASN C C 43 174.879 174.897 -0.018 1
1 470 . 20 1 1 A 43 43 ASN CA C 43 54.854 54.920 -0.066 1
1 471 . 20 1 1 A 43 43 ASN CB C 43 41.148 40.085 1.063 1
1 472 . 20 1 1 A 43 43 ASN N N 43 113.488 118.285 -4.797 1
1 474 . 20 1 1 A 44 44 GLU H H 44 7.861 7.778 0.083 1
1 475 . 20 1 1 A 44 44 GLU HA H 44 4.777 4.797 -0.020 1
1 480 . 20 1 1 A 44 44 GLU C C 44 176.482 175.766 0.716 1
1 481 . 20 1 1 A 44 44 GLU CA C 44 54.576 54.572 0.004 1
1 482 . 20 1 1 A 44 44 GLU CB C 44 32.781 34.700 -1.919 1
1 484 . 20 1 1 A 44 44 GLU N N 44 118.109 116.078 2.031 1
1 485 . 20 1 1 A 45 45 ASP H H 45 8.707 8.654 0.053 1
1 486 . 20 1 1 A 45 45 ASP HA H 45 4.755 4.795 -0.040 1
1 488 . 20 1 1 A 45 45 ASP C C 45 176.643 175.288 1.355 1
1 489 . 20 1 1 A 45 45 ASP CA C 45 54.764 54.512 0.252 1
1 490 . 20 1 1 A 45 45 ASP CB C 45 40.807 40.935 -0.128 1
1 491 . 20 1 1 A 45 45 ASP N N 45 123.334 121.202 2.132 1
1 492 . 20 1 1 A 46 46 TYR H H 46 9.868 9.286 0.582 1
1 493 . 20 1 1 A 46 46 TYR HA H 46 4.671 5.329 -0.658 1
1 498 . 20 1 1 A 46 46 TYR C C 46 172.045 173.967 -1.922 1
1 499 . 20 1 1 A 46 46 TYR CA C 46 58.409 56.151 2.258 1
1 500 . 20 1 1 A 46 46 TYR CB C 46 40.085 40.945 -0.860 1
1 503 . 20 1 1 A 46 46 TYR N N 46 124.561 125.065 -0.504 1
1 504 . 20 1 1 A 47 47 ILE H H 47 7.520 9.023 -1.503 1
1 505 . 20 1 1 A 47 47 ILE HA H 47 4.344 4.536 -0.192 1
1 515 . 20 1 1 A 47 47 ILE C C 47 174.691 175.674 -0.983 1
1 516 . 20 1 1 A 47 47 ILE CA C 47 58.279 59.874 -1.595 1
1 517 . 20 1 1 A 47 47 ILE CB C 47 37.652 38.776 -1.124 1
1 521 . 20 1 1 A 47 47 ILE N N 47 128.737 128.103 0.634 1
1 522 . 20 1 1 A 48 48 CYS H H 48 9.142 8.476 0.666 1
1 523 . 20 1 1 A 48 48 CYS HA H 48 4.126 4.499 -0.373 1
1 526 . 20 1 1 A 48 48 CYS C C 48 175.153 176.692 -1.539 1
1 527 . 20 1 1 A 48 48 CYS CA C 48 58.302 57.100 1.202 1
1 528 . 20 1 1 A 48 48 CYS CB C 48 32.494 29.557 2.937 1
1 529 . 20 1 1 A 48 48 CYS N N 48 130.912 126.488 4.424 1
1 530 . 20 1 1 A 49 49 ILE H H 49 7.748 8.608 -0.860 1
1 531 . 20 1 1 A 49 49 ILE HA H 49 3.956 3.781 0.175 1
1 541 . 20 1 1 A 49 49 ILE C C 49 177.115 177.603 -0.488 1
1 542 . 20 1 1 A 49 49 ILE CA C 49 63.096 64.023 -0.927 1
1 543 . 20 1 1 A 49 49 ILE CB C 49 38.630 37.637 0.993 1
1 547 . 20 1 1 A 49 49 ILE N N 49 113.518 117.724 -4.206 1
1 548 . 20 1 1 A 50 50 ASN H H 50 8.859 8.021 0.838 1
1 549 . 20 1 1 A 50 50 ASN HA H 50 4.709 4.578 0.131 1
1 554 . 20 1 1 A 50 50 ASN C C 50 176.868 176.399 0.469 1
1 555 . 20 1 1 A 50 50 ASN CA C 50 55.433 55.321 0.112 1
1 556 . 20 1 1 A 50 50 ASN CB C 50 39.690 38.322 1.368 1
1 557 . 20 1 1 A 50 50 ASN N N 50 121.721 119.616 2.105 1
1 559 . 20 1 1 A 51 51 CYS H H 51 8.213 7.500 0.713 1
1 560 . 20 1 1 A 51 51 CYS HA H 51 4.113 4.453 -0.340 1
1 563 . 20 1 1 A 51 51 CYS C C 51 174.832 174.662 0.170 1
1 564 . 20 1 1 A 51 51 CYS CA C 51 62.048 58.528 3.520 1
1 565 . 20 1 1 A 51 51 CYS CB C 51 31.516 27.483 4.033 1
1 566 . 20 1 1 A 51 51 CYS N N 51 123.810 116.257 7.553 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 47 1.248 1
2 1 1 1 "RMS(OBS, PRED)" CA 50 1.514 1
3 1 1 1 "RMS(OBS, PRED)" CB 47 1.571 1
4 1 1 1 "RMS(OBS, PRED)" H 48 0.990 1
5 1 1 1 "RMS(OBS, PRED)" HA 53 0.342 1
6 1 1 1 "RMS(OBS, PRED)" N 48 4.308 1
7 1 2 1 "RMS(OBS, PRED)" C 47 1.249 1
8 1 2 1 "RMS(OBS, PRED)" CA 50 1.598 1
9 1 2 1 "RMS(OBS, PRED)" CB 47 1.586 1
10 1 2 1 "RMS(OBS, PRED)" H 48 0.978 1
11 1 2 1 "RMS(OBS, PRED)" HA 53 0.366 1
12 1 2 1 "RMS(OBS, PRED)" N 48 4.114 1
13 1 3 1 "RMS(OBS, PRED)" C 47 1.218 1
14 1 3 1 "RMS(OBS, PRED)" CA 50 1.528 1
15 1 3 1 "RMS(OBS, PRED)" CB 47 1.505 1
16 1 3 1 "RMS(OBS, PRED)" H 48 0.906 1
17 1 3 1 "RMS(OBS, PRED)" HA 53 0.375 1
18 1 3 1 "RMS(OBS, PRED)" N 48 4.276 1
19 1 4 1 "RMS(OBS, PRED)" C 47 1.353 1
20 1 4 1 "RMS(OBS, PRED)" CA 50 1.495 1
21 1 4 1 "RMS(OBS, PRED)" CB 47 1.672 1
22 1 4 1 "RMS(OBS, PRED)" H 48 0.971 1
23 1 4 1 "RMS(OBS, PRED)" HA 53 0.403 1
24 1 4 1 "RMS(OBS, PRED)" N 48 4.257 1
25 1 5 1 "RMS(OBS, PRED)" C 47 1.329 1
26 1 5 1 "RMS(OBS, PRED)" CA 50 1.435 1
27 1 5 1 "RMS(OBS, PRED)" CB 47 1.584 1
28 1 5 1 "RMS(OBS, PRED)" H 48 0.929 1
29 1 5 1 "RMS(OBS, PRED)" HA 53 0.372 1
30 1 5 1 "RMS(OBS, PRED)" N 48 4.105 1
31 1 6 1 "RMS(OBS, PRED)" C 47 1.245 1
32 1 6 1 "RMS(OBS, PRED)" CA 50 1.518 1
33 1 6 1 "RMS(OBS, PRED)" CB 47 1.568 1
34 1 6 1 "RMS(OBS, PRED)" H 48 0.908 1
35 1 6 1 "RMS(OBS, PRED)" HA 53 0.347 1
36 1 6 1 "RMS(OBS, PRED)" N 48 4.230 1
37 1 7 1 "RMS(OBS, PRED)" C 47 1.343 1
38 1 7 1 "RMS(OBS, PRED)" CA 50 1.510 1
39 1 7 1 "RMS(OBS, PRED)" CB 47 1.668 1
40 1 7 1 "RMS(OBS, PRED)" H 48 0.956 1
41 1 7 1 "RMS(OBS, PRED)" HA 53 0.375 1
42 1 7 1 "RMS(OBS, PRED)" N 48 4.278 1
43 1 8 1 "RMS(OBS, PRED)" C 47 1.179 1
44 1 8 1 "RMS(OBS, PRED)" CA 50 1.303 1
45 1 8 1 "RMS(OBS, PRED)" CB 47 1.521 1
46 1 8 1 "RMS(OBS, PRED)" H 48 0.985 1
47 1 8 1 "RMS(OBS, PRED)" HA 53 0.366 1
48 1 8 1 "RMS(OBS, PRED)" N 48 4.157 1
49 1 9 1 "RMS(OBS, PRED)" C 47 1.307 1
50 1 9 1 "RMS(OBS, PRED)" CA 50 1.460 1
51 1 9 1 "RMS(OBS, PRED)" CB 47 1.730 1
52 1 9 1 "RMS(OBS, PRED)" H 48 0.941 1
53 1 9 1 "RMS(OBS, PRED)" HA 53 0.339 1
54 1 9 1 "RMS(OBS, PRED)" N 48 4.263 1
55 1 10 1 "RMS(OBS, PRED)" C 47 1.366 1
56 1 10 1 "RMS(OBS, PRED)" CA 50 1.551 1
57 1 10 1 "RMS(OBS, PRED)" CB 47 1.588 1
58 1 10 1 "RMS(OBS, PRED)" H 48 0.920 1
59 1 10 1 "RMS(OBS, PRED)" HA 53 0.368 1
60 1 10 1 "RMS(OBS, PRED)" N 48 4.184 1
61 1 11 1 "RMS(OBS, PRED)" C 47 1.324 1
62 1 11 1 "RMS(OBS, PRED)" CA 50 1.572 1
63 1 11 1 "RMS(OBS, PRED)" CB 47 1.623 1
64 1 11 1 "RMS(OBS, PRED)" H 48 0.938 1
65 1 11 1 "RMS(OBS, PRED)" HA 53 0.363 1
66 1 11 1 "RMS(OBS, PRED)" N 48 4.402 1
67 1 12 1 "RMS(OBS, PRED)" C 47 1.333 1
68 1 12 1 "RMS(OBS, PRED)" CA 50 1.533 1
69 1 12 1 "RMS(OBS, PRED)" CB 47 1.616 1
70 1 12 1 "RMS(OBS, PRED)" H 48 0.904 1
71 1 12 1 "RMS(OBS, PRED)" HA 53 0.359 1
72 1 12 1 "RMS(OBS, PRED)" N 48 4.165 1
73 1 13 1 "RMS(OBS, PRED)" C 47 1.333 1
74 1 13 1 "RMS(OBS, PRED)" CA 50 1.499 1
75 1 13 1 "RMS(OBS, PRED)" CB 47 1.610 1
76 1 13 1 "RMS(OBS, PRED)" H 48 0.951 1
77 1 13 1 "RMS(OBS, PRED)" HA 53 0.342 1
78 1 13 1 "RMS(OBS, PRED)" N 48 4.343 1
79 1 14 1 "RMS(OBS, PRED)" C 47 1.214 1
80 1 14 1 "RMS(OBS, PRED)" CA 50 1.455 1
81 1 14 1 "RMS(OBS, PRED)" CB 47 1.580 1
82 1 14 1 "RMS(OBS, PRED)" H 48 0.954 1
83 1 14 1 "RMS(OBS, PRED)" HA 53 0.354 1
84 1 14 1 "RMS(OBS, PRED)" N 48 4.176 1
85 1 15 1 "RMS(OBS, PRED)" C 47 1.314 1
86 1 15 1 "RMS(OBS, PRED)" CA 50 1.448 1
87 1 15 1 "RMS(OBS, PRED)" CB 47 1.613 1
88 1 15 1 "RMS(OBS, PRED)" H 48 0.884 1
89 1 15 1 "RMS(OBS, PRED)" HA 53 0.349 1
90 1 15 1 "RMS(OBS, PRED)" N 48 4.134 1
91 1 16 1 "RMS(OBS, PRED)" C 47 1.360 1
92 1 16 1 "RMS(OBS, PRED)" CA 50 1.529 1
93 1 16 1 "RMS(OBS, PRED)" CB 47 1.829 1
94 1 16 1 "RMS(OBS, PRED)" H 48 0.888 1
95 1 16 1 "RMS(OBS, PRED)" HA 53 0.378 1
96 1 16 1 "RMS(OBS, PRED)" N 48 4.351 1
97 1 17 1 "RMS(OBS, PRED)" C 47 1.234 1
98 1 17 1 "RMS(OBS, PRED)" CA 50 1.411 1
99 1 17 1 "RMS(OBS, PRED)" CB 47 1.582 1
100 1 17 1 "RMS(OBS, PRED)" H 48 0.952 1
101 1 17 1 "RMS(OBS, PRED)" HA 53 0.352 1
102 1 17 1 "RMS(OBS, PRED)" N 48 4.197 1
103 1 18 1 "RMS(OBS, PRED)" C 47 1.272 1
104 1 18 1 "RMS(OBS, PRED)" CA 50 1.501 1
105 1 18 1 "RMS(OBS, PRED)" CB 47 1.623 1
106 1 18 1 "RMS(OBS, PRED)" H 48 0.865 1
107 1 18 1 "RMS(OBS, PRED)" HA 53 0.365 1
108 1 18 1 "RMS(OBS, PRED)" N 48 4.132 1
109 1 19 1 "RMS(OBS, PRED)" C 47 1.265 1
110 1 19 1 "RMS(OBS, PRED)" CA 50 1.389 1
111 1 19 1 "RMS(OBS, PRED)" CB 47 1.684 1
112 1 19 1 "RMS(OBS, PRED)" H 48 0.884 1
113 1 19 1 "RMS(OBS, PRED)" HA 53 0.330 1
114 1 19 1 "RMS(OBS, PRED)" N 48 4.325 1
115 1 20 1 "RMS(OBS, PRED)" C 47 1.303 1
116 1 20 1 "RMS(OBS, PRED)" CA 50 1.468 1
117 1 20 1 "RMS(OBS, PRED)" CB 47 1.544 1
118 1 20 1 "RMS(OBS, PRED)" H 48 0.897 1
119 1 20 1 "RMS(OBS, PRED)" HA 53 0.343 1
120 1 20 1 "RMS(OBS, PRED)" N 48 4.183 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 3 . 1 1 A 2 2 VAL H H 2 8.368 8.287 0.081 2
1 4 . 1 1 A 2 2 VAL HA H 2 5.250 4.647 0.603 2
1 12 . 1 1 A 2 2 VAL C C 2 176.070 175.129 0.941 2
1 13 . 1 1 A 2 2 VAL CA C 2 60.705 61.215 -0.510 2
1 14 . 1 1 A 2 2 VAL CB C 2 34.398 34.068 0.330 2
1 17 . 1 1 A 2 2 VAL N N 2 119.964 120.723 -0.759 2
1 18 . 1 1 A 3 3 CYS H H 3 9.183 9.145 0.038 2
1 19 . 1 1 A 3 3 CYS HA H 3 5.172 5.215 -0.043 2
1 22 . 1 1 A 3 3 CYS C C 3 173.772 174.143 -0.371 2
1 23 . 1 1 A 3 3 CYS CA C 3 56.558 56.357 0.201 2
1 24 . 1 1 A 3 3 CYS CB C 3 32.206 30.519 1.687 2
1 25 . 1 1 A 3 3 CYS N N 3 128.120 124.555 3.565 2
1 26 . 1 1 A 4 4 ALA H H 4 7.110 8.548 -1.438 2
1 27 . 1 1 A 4 4 ALA HA H 4 4.234 4.723 -0.489 2
1 31 . 1 1 A 4 4 ALA C C 4 177.661 176.340 1.321 2
1 32 . 1 1 A 4 4 ALA CA C 4 52.987 51.225 1.762 2
1 33 . 1 1 A 4 4 ALA CB C 4 19.004 18.263 0.741 2
1 34 . 1 1 A 4 4 ALA N N 4 117.697 123.634 -5.937 2
1 35 . 1 1 A 5 5 ALA H H 5 9.154 7.580 1.574 2
1 36 . 1 1 A 5 5 ALA HA H 5 4.565 4.756 -0.191 2
1 40 . 1 1 A 5 5 ALA C C 5 177.851 177.717 0.134 2
1 41 . 1 1 A 5 5 ALA CA C 5 53.029 50.877 2.152 2
1 42 . 1 1 A 5 5 ALA CB C 5 19.533 20.941 -1.408 2
1 43 . 1 1 A 5 5 ALA N N 5 125.563 123.319 2.244 2
1 44 . 1 1 A 6 6 GLN H H 6 8.946 8.784 0.162 2
1 45 . 1 1 A 6 6 GLN HA H 6 4.098 4.046 0.052 2
1 52 . 1 1 A 6 6 GLN C C 6 176.708 176.623 0.085 2
1 53 . 1 1 A 6 6 GLN CA C 6 58.555 59.245 -0.690 2
1 54 . 1 1 A 6 6 GLN CB C 6 28.397 28.860 -0.463 2
1 56 . 1 1 A 6 6 GLN N N 6 122.944 122.315 0.629 2
1 58 . 1 1 A 7 7 ASN H H 7 8.399 7.866 0.533 2
1 59 . 1 1 A 7 7 ASN HA H 7 4.848 4.954 -0.106 2
1 64 . 1 1 A 7 7 ASN C C 7 173.923 173.953 -0.031 2
1 65 . 1 1 A 7 7 ASN CA C 7 51.808 51.721 0.087 2
1 66 . 1 1 A 7 7 ASN CB C 7 37.850 38.531 -0.681 2
1 67 . 1 1 A 7 7 ASN N N 7 115.700 116.456 -0.756 2
1 69 . 1 1 A 8 8 CYS H H 8 7.655 8.438 -0.783 2
1 70 . 1 1 A 8 8 CYS HA H 8 4.947 5.042 -0.095 2
1 73 . 1 1 A 8 8 CYS C C 8 177.267 173.886 3.381 2
1 74 . 1 1 A 8 8 CYS CA C 8 59.479 58.046 1.433 2
1 75 . 1 1 A 8 8 CYS CB C 8 29.085 29.729 -0.644 2
1 76 . 1 1 A 8 8 CYS N N 8 122.410 123.220 -0.810 2
1 77 . 1 1 A 9 9 GLN H H 9 9.901 8.704 1.197 2
1 78 . 1 1 A 9 9 GLN HA H 9 4.193 4.884 -0.691 2
1 85 . 1 1 A 9 9 GLN C C 9 175.088 174.520 0.568 2
1 86 . 1 1 A 9 9 GLN CA C 9 56.730 54.497 2.233 2
1 87 . 1 1 A 9 9 GLN CB C 9 28.833 31.589 -2.756 2
1 89 . 1 1 A 9 9 GLN N N 9 133.116 124.750 8.366 2
1 91 . 1 1 A 10 10 ARG H H 10 10.013 8.672 1.341 2
1 92 . 1 1 A 10 10 ARG HA H 10 4.138 4.689 -0.551 2
1 98 . 1 1 A 10 10 ARG CA C 10 55.426 52.682 2.744 2
1 99 . 1 1 A 10 10 ARG CB C 10 28.647 30.820 -2.173 2
1 102 . 1 1 A 10 10 ARG N N 10 121.692 123.754 -2.062 2
1 103 . 1 1 A 11 11 PRO HA H 11 4.178 4.292 -0.114 2
1 110 . 1 1 A 11 11 PRO C C 11 177.355 177.201 0.154 2
1 111 . 1 1 A 11 11 PRO CA C 11 63.005 65.310 -2.305 2
1 112 . 1 1 A 11 11 PRO CB C 11 31.662 31.349 0.313 2
1 115 . 1 1 A 12 12 CYS H H 12 8.662 7.952 0.710 2
1 116 . 1 1 A 12 12 CYS HA H 12 4.629 4.204 0.425 2
1 119 . 1 1 A 12 12 CYS C C 12 173.972 173.949 0.023 2
1 120 . 1 1 A 12 12 CYS CA C 12 58.103 60.114 -2.010 2
1 121 . 1 1 A 12 12 CYS CB C 12 27.951 26.346 1.605 2
1 122 . 1 1 A 12 12 CYS N N 12 120.690 115.561 5.129 2
1 123 . 1 1 A 13 13 LYS H H 13 7.138 7.986 -0.848 2
1 124 . 1 1 A 13 13 LYS HA H 13 4.406 4.423 -0.017 2
1 131 . 1 1 A 13 13 LYS C C 13 174.846 177.361 -2.515 2
1 132 . 1 1 A 13 13 LYS CA C 13 55.401 55.476 -0.075 2
1 133 . 1 1 A 13 13 LYS CB C 13 34.650 33.920 0.730 2
1 137 . 1 1 A 13 13 LYS N N 13 121.573 120.849 0.724 2
1 138 . 1 1 A 14 14 ASP H H 14 8.395 8.723 -0.328 2
1 139 . 1 1 A 14 14 ASP HA H 14 4.301 4.361 -0.060 2
1 142 . 1 1 A 14 14 ASP C C 14 176.114 176.460 -0.346 2
1 143 . 1 1 A 14 14 ASP CA C 14 57.107 57.194 -0.087 2
1 144 . 1 1 A 14 14 ASP CB C 14 40.801 41.112 -0.311 2
1 145 . 1 1 A 14 14 ASP N N 14 118.919 121.167 -2.248 2
1 146 . 1 1 A 15 15 LYS H H 15 7.593 7.870 -0.277 2
1 147 . 1 1 A 15 15 LYS HA H 15 4.818 4.761 0.057 2
1 155 . 1 1 A 15 15 LYS C C 15 175.145 175.495 -0.350 2
1 156 . 1 1 A 15 15 LYS CA C 15 55.491 55.299 0.192 2
1 157 . 1 1 A 15 15 LYS CB C 15 34.485 34.633 -0.148 2
1 161 . 1 1 A 15 15 LYS N N 15 117.259 117.546 -0.287 2
1 162 . 1 1 A 16 16 VAL H H 16 8.811 8.954 -0.143 2
1 163 . 1 1 A 16 16 VAL HA H 16 4.083 4.930 -0.847 2
1 171 . 1 1 A 16 16 VAL C C 16 174.356 174.086 0.270 2
1 172 . 1 1 A 16 16 VAL CA C 16 61.679 59.327 2.352 2
1 173 . 1 1 A 16 16 VAL CB C 16 34.315 35.371 -1.056 2
1 176 . 1 1 A 16 16 VAL N N 16 123.375 118.089 5.286 2
1 177 . 1 1 A 17 17 ASP H H 17 7.938 8.635 -0.697 2
1 178 . 1 1 A 17 17 ASP HA H 17 5.639 5.443 0.196 2
1 181 . 1 1 A 17 17 ASP C C 17 177.550 175.362 2.188 2
1 182 . 1 1 A 17 17 ASP CA C 17 54.991 53.248 1.743 2
1 183 . 1 1 A 17 17 ASP CB C 17 43.020 43.235 -0.215 2
1 184 . 1 1 A 17 17 ASP N N 17 124.698 122.400 2.298 2
1 185 . 1 1 A 18 18 TRP H H 18 9.636 9.151 0.485 2
1 186 . 1 1 A 18 18 TRP HA H 18 5.793 5.964 -0.171 2
1 195 . 1 1 A 18 18 TRP C C 18 176.051 175.423 0.628 2
1 196 . 1 1 A 18 18 TRP CA C 18 56.881 56.050 0.831 2
1 197 . 1 1 A 18 18 TRP CB C 18 34.097 34.333 -0.236 2
1 203 . 1 1 A 18 18 TRP N N 18 123.330 121.716 1.614 2
1 205 . 1 1 A 19 19 VAL H H 19 10.592 9.095 1.497 2
1 206 . 1 1 A 19 19 VAL HA H 19 5.409 5.032 0.377 2
1 214 . 1 1 A 19 19 VAL C C 19 170.168 173.948 -3.780 2
1 215 . 1 1 A 19 19 VAL CA C 19 60.297 60.742 -0.445 2
1 216 . 1 1 A 19 19 VAL CB C 19 36.269 36.113 0.156 2
1 219 . 1 1 A 19 19 VAL N N 19 122.558 120.669 1.889 2
1 220 . 1 1 A 20 20 GLN H H 20 8.359 8.823 -0.464 2
1 221 . 1 1 A 20 20 GLN HA H 20 4.728 4.580 0.148 2
1 228 . 1 1 A 20 20 GLN C C 20 176.280 175.303 0.977 2
1 229 . 1 1 A 20 20 GLN CA C 20 53.251 53.561 -0.310 2
1 230 . 1 1 A 20 20 GLN CB C 20 28.640 31.094 -2.454 2
1 232 . 1 1 A 20 20 GLN N N 20 132.425 125.934 6.491 2
1 234 . 1 1 A 21 21 CYS H H 21 8.618 8.437 0.181 2
1 235 . 1 1 A 21 21 CYS HA H 21 4.601 4.912 -0.311 2
1 238 . 1 1 A 21 21 CYS C C 21 177.580 175.192 2.388 2
1 239 . 1 1 A 21 21 CYS CA C 21 61.339 59.193 2.146 2
1 240 . 1 1 A 21 21 CYS CB C 21 32.597 28.348 4.249 2
1 241 . 1 1 A 21 21 CYS N N 21 128.017 124.465 3.552 2
1 242 . 1 1 A 22 22 ASP H H 22 10.211 9.372 0.839 2
1 243 . 1 1 A 22 22 ASP HA H 22 4.926 4.834 0.092 2
1 246 . 1 1 A 22 22 ASP C C 22 177.366 176.763 0.603 2
1 247 . 1 1 A 22 22 ASP CA C 22 56.782 54.239 2.543 2
1 248 . 1 1 A 22 22 ASP CB C 22 43.715 41.393 2.322 2
1 249 . 1 1 A 22 22 ASP N N 22 128.881 126.116 2.765 2
1 250 . 1 1 A 23 23 GLY H H 23 11.136 7.868 3.268 2
1 251 . 1 1 A 23 23 GLY HA2 H 23 3.556 3.968 -0.412 2
1 252 . 1 1 A 23 23 GLY HA3 H 23 4.026 3.977 0.049 2
1 253 . 1 1 A 23 23 GLY C C 23 173.584 174.604 -1.020 2
1 254 . 1 1 A 23 23 GLY CA C 23 45.651 45.056 0.595 2
1 255 . 1 1 A 23 23 GLY N N 23 117.638 107.953 9.685 2
1 256 . 1 1 A 24 24 GLY H H 24 8.906 8.065 0.841 2
1 257 . 1 1 A 24 24 GLY HA2 H 24 3.451 3.971 -0.520 2
1 258 . 1 1 A 24 24 GLY HA3 H 24 4.722 3.976 0.746 2
1 259 . 1 1 A 24 24 GLY C C 24 175.467 174.978 0.489 2
1 260 . 1 1 A 24 24 GLY CA C 24 45.165 45.388 -0.223 2
1 261 . 1 1 A 24 24 GLY N N 24 109.634 108.205 1.429 2
1 262 . 1 1 A 25 25 CYS H H 25 7.599 7.826 -0.227 2
1 263 . 1 1 A 25 25 CYS HA H 25 4.450 4.307 0.143 2
1 266 . 1 1 A 25 25 CYS C C 25 175.747 174.649 1.098 2
1 267 . 1 1 A 25 25 CYS CA C 25 60.192 60.704 -0.512 2
1 268 . 1 1 A 25 25 CYS CB C 25 30.266 28.428 1.838 2
1 269 . 1 1 A 25 25 CYS N N 25 119.707 119.126 0.581 2
1 270 . 1 1 A 26 26 ASP H H 26 8.156 7.952 0.204 2
1 271 . 1 1 A 26 26 ASP HA H 26 4.364 4.225 0.139 2
1 274 . 1 1 A 26 26 ASP C C 26 175.426 174.642 0.784 2
1 275 . 1 1 A 26 26 ASP CA C 26 56.106 55.253 0.853 2
1 276 . 1 1 A 26 26 ASP CB C 26 40.889 38.995 1.895 2
1 277 . 1 1 A 26 26 ASP N N 26 118.432 118.175 0.257 2
1 278 . 1 1 A 27 27 GLU H H 27 9.181 7.657 1.524 2
1 279 . 1 1 A 27 27 GLU HA H 27 4.379 4.589 -0.210 2
1 284 . 1 1 A 27 27 GLU C C 27 175.329 175.419 -0.090 2
1 285 . 1 1 A 27 27 GLU CA C 27 58.179 54.901 3.278 2
1 286 . 1 1 A 27 27 GLU CB C 27 30.604 31.315 -0.711 2
1 288 . 1 1 A 27 27 GLU N N 27 122.798 117.154 5.644 2
1 289 . 1 1 A 28 28 TRP H H 28 8.472 8.804 -0.332 2
1 290 . 1 1 A 28 28 TRP HA H 28 4.934 5.524 -0.590 2
1 299 . 1 1 A 28 28 TRP C C 28 175.838 175.890 -0.052 2
1 300 . 1 1 A 28 28 TRP CA C 28 57.313 55.598 1.715 2
1 301 . 1 1 A 28 28 TRP CB C 28 31.956 30.972 0.984 2
1 307 . 1 1 A 28 28 TRP N N 28 117.567 120.791 -3.224 2
1 309 . 1 1 A 29 29 PHE H H 29 9.792 9.313 0.479 2
1 310 . 1 1 A 29 29 PHE HA H 29 4.865 5.399 -0.534 2
1 316 . 1 1 A 29 29 PHE C C 29 176.573 174.454 2.119 2
1 317 . 1 1 A 29 29 PHE CA C 29 56.788 56.127 0.661 2
1 318 . 1 1 A 29 29 PHE CB C 29 42.755 43.197 -0.441 2
1 322 . 1 1 A 29 29 PHE N N 29 120.754 120.547 0.207 2
1 323 . 1 1 A 30 30 HIS H H 30 9.889 8.518 1.371 2
1 324 . 1 1 A 30 30 HIS HA H 30 4.383 4.982 -0.599 2
1 328 . 1 1 A 30 30 HIS C C 30 177.229 176.294 0.935 2
1 329 . 1 1 A 30 30 HIS CA C 30 57.127 55.195 1.932 2
1 330 . 1 1 A 30 30 HIS CB C 30 29.589 31.558 -1.969 2
1 332 . 1 1 A 30 30 HIS N N 30 124.925 118.207 6.718 2
1 333 . 1 1 A 31 31 GLN H H 31 8.636 8.989 -0.353 2
1 334 . 1 1 A 31 31 GLN HA H 31 3.563 3.865 -0.302 2
1 341 . 1 1 A 31 31 GLN C C 31 178.836 178.023 0.813 2
1 342 . 1 1 A 31 31 GLN CA C 31 60.702 59.553 1.149 2
1 343 . 1 1 A 31 31 GLN CB C 31 26.688 28.389 -1.701 2
1 345 . 1 1 A 31 31 GLN N N 31 124.356 122.942 1.414 2
1 347 . 1 1 A 32 32 VAL H H 32 8.975 7.909 1.066 2
1 348 . 1 1 A 32 32 VAL HA H 32 4.096 3.871 0.225 2
1 356 . 1 1 A 32 32 VAL CA C 32 64.568 64.607 -0.039 2
1 357 . 1 1 A 32 32 VAL CB C 32 31.689 31.487 0.202 2
1 360 . 1 1 A 32 32 VAL N N 32 114.507 115.624 -1.117 2
1 361 . 1 1 A 33 33 CYS H H 33 6.770 7.745 -0.975 2
1 362 . 1 1 A 33 33 CYS HA H 33 4.139 4.295 -0.156 2
1 365 . 1 1 A 33 33 CYS C C 33 177.175 175.714 1.461 2
1 366 . 1 1 A 33 33 CYS CA C 33 62.799 61.260 1.539 2
1 367 . 1 1 A 33 33 CYS CB C 33 29.256 27.740 1.516 2
1 368 . 1 1 A 33 33 CYS N N 33 120.275 119.856 0.419 2
1 369 . 1 1 A 34 34 VAL H H 34 7.144 7.473 -0.329 2
1 370 . 1 1 A 34 34 VAL HA H 34 4.599 4.224 0.375 2
1 378 . 1 1 A 34 34 VAL C C 34 176.099 175.974 0.125 2
1 379 . 1 1 A 34 34 VAL CA C 34 60.218 62.102 -1.884 2
1 380 . 1 1 A 34 34 VAL CB C 34 31.918 31.914 0.004 2
1 383 . 1 1 A 34 34 VAL N N 34 106.458 119.408 -12.950 2
1 384 . 1 1 A 35 35 GLY H H 35 7.519 7.884 -0.365 2
1 385 . 1 1 A 35 35 GLY HA2 H 35 3.897 3.932 -0.035 2
1 386 . 1 1 A 35 35 GLY HA3 H 35 3.954 3.944 0.010 2
1 387 . 1 1 A 35 35 GLY C C 35 174.669 174.582 0.087 2
1 388 . 1 1 A 35 35 GLY CA C 35 47.173 46.662 0.511 2
1 389 . 1 1 A 35 35 GLY N N 35 110.261 111.051 -0.790 2
1 390 . 1 1 A 36 36 VAL H H 36 7.556 8.334 -0.778 2
1 391 . 1 1 A 36 36 VAL HA H 36 4.480 4.138 0.342 2
1 399 . 1 1 A 36 36 VAL C C 36 174.103 175.045 -0.942 2
1 400 . 1 1 A 36 36 VAL CA C 36 60.273 61.356 -1.083 2
1 401 . 1 1 A 36 36 VAL CB C 36 34.388 32.944 1.444 2
1 404 . 1 1 A 36 36 VAL N N 36 117.579 120.175 -2.596 2
1 405 . 1 1 A 37 37 SER H H 37 8.097 8.580 -0.483 2
1 406 . 1 1 A 37 37 SER HA H 37 4.846 4.908 -0.062 2
1 409 . 1 1 A 37 37 SER CA C 37 55.675 55.509 0.166 2
1 410 . 1 1 A 37 37 SER CB C 37 63.614 64.443 -0.829 2
1 411 . 1 1 A 37 37 SER N N 37 122.439 120.993 1.446 2
1 412 . 1 1 A 38 38 PRO HA H 38 4.467 4.339 0.128 2
1 418 . 1 1 A 38 38 PRO C C 38 179.393 178.512 0.881 2
1 419 . 1 1 A 38 38 PRO CA C 38 65.685 65.583 0.102 2
1 420 . 1 1 A 38 38 PRO CB C 38 32.027 31.816 0.211 2
1 423 . 1 1 A 39 39 GLU H H 39 8.536 8.397 0.139 2
1 424 . 1 1 A 39 39 GLU HA H 39 4.080 4.073 0.007 2
1 429 . 1 1 A 39 39 GLU C C 39 178.722 179.280 -0.558 2
1 430 . 1 1 A 39 39 GLU CA C 39 59.711 59.616 0.095 2
1 431 . 1 1 A 39 39 GLU CB C 39 28.947 29.126 -0.179 2
1 433 . 1 1 A 39 39 GLU N N 39 116.083 117.641 -1.558 2
1 434 . 1 1 A 40 40 MET H H 40 7.578 8.237 -0.659 2
1 435 . 1 1 A 40 40 MET HA H 40 4.224 4.196 0.028 2
1 439 . 1 1 A 40 40 MET C C 40 178.433 178.126 0.307 2
1 440 . 1 1 A 40 40 MET CA C 40 58.112 58.630 -0.518 2
1 441 . 1 1 A 40 40 MET CB C 40 33.685 33.082 0.603 2
1 443 . 1 1 A 40 40 MET N N 40 119.520 118.998 0.522 2
1 444 . 1 1 A 41 41 ALA H H 41 8.324 7.580 0.744 2
1 445 . 1 1 A 41 41 ALA HA H 41 3.975 4.101 -0.126 2
1 449 . 1 1 A 41 41 ALA C C 41 177.857 178.667 -0.810 2
1 450 . 1 1 A 41 41 ALA CA C 41 54.797 54.737 0.060 2
1 451 . 1 1 A 41 41 ALA CB C 41 18.982 18.289 0.693 2
1 452 . 1 1 A 41 41 ALA N N 41 121.259 121.247 0.012 2
1 453 . 1 1 A 42 42 GLU H H 42 7.833 7.783 0.050 2
1 454 . 1 1 A 42 42 GLU HA H 42 4.273 4.248 0.025 2
1 458 . 1 1 A 42 42 GLU C C 42 178.431 177.945 0.486 2
1 459 . 1 1 A 42 42 GLU CA C 42 58.268 58.233 0.035 2
1 460 . 1 1 A 42 42 GLU CB C 42 30.338 29.841 0.497 2
1 462 . 1 1 A 42 42 GLU N N 42 112.040 117.079 -5.039 2
1 463 . 1 1 A 43 43 ASN H H 43 7.688 7.628 0.060 2
1 464 . 1 1 A 43 43 ASN HA H 43 4.764 4.742 0.022 2
1 469 . 1 1 A 43 43 ASN C C 43 174.879 175.135 -0.256 2
1 470 . 1 1 A 43 43 ASN CA C 43 54.854 54.903 -0.049 2
1 471 . 1 1 A 43 43 ASN CB C 43 41.148 39.927 1.221 2
1 472 . 1 1 A 43 43 ASN N N 43 113.488 116.998 -3.510 2
1 474 . 1 1 A 44 44 GLU H H 44 7.861 7.776 0.085 2
1 475 . 1 1 A 44 44 GLU HA H 44 4.777 4.790 -0.013 2
1 480 . 1 1 A 44 44 GLU C C 44 176.482 175.614 0.868 2
1 481 . 1 1 A 44 44 GLU CA C 44 54.576 54.620 -0.044 2
1 482 . 1 1 A 44 44 GLU CB C 44 32.781 34.236 -1.455 2
1 484 . 1 1 A 44 44 GLU N N 44 118.109 116.641 1.468 2
1 485 . 1 1 A 45 45 ASP H H 45 8.707 8.582 0.125 2
1 486 . 1 1 A 45 45 ASP HA H 45 4.755 4.670 0.085 2
1 488 . 1 1 A 45 45 ASP C C 45 176.643 175.248 1.395 2
1 489 . 1 1 A 45 45 ASP CA C 45 54.764 54.659 0.105 2
1 490 . 1 1 A 45 45 ASP CB C 45 40.807 40.828 -0.021 2
1 491 . 1 1 A 45 45 ASP N N 45 123.334 121.279 2.055 2
1 492 . 1 1 A 46 46 TYR H H 46 9.868 8.892 0.976 2
1 493 . 1 1 A 46 46 TYR HA H 46 4.671 5.347 -0.676 2
1 498 . 1 1 A 46 46 TYR C C 46 172.045 174.027 -1.982 2
1 499 . 1 1 A 46 46 TYR CA C 46 58.409 56.259 2.150 2
1 500 . 1 1 A 46 46 TYR CB C 46 40.085 41.332 -1.247 2
1 503 . 1 1 A 46 46 TYR N N 46 124.561 124.930 -0.369 2
1 504 . 1 1 A 47 47 ILE H H 47 7.520 8.677 -1.157 2
1 505 . 1 1 A 47 47 ILE HA H 47 4.344 4.496 -0.152 2
1 515 . 1 1 A 47 47 ILE C C 47 174.691 175.621 -0.930 2
1 516 . 1 1 A 47 47 ILE CA C 47 58.279 59.759 -1.480 2
1 517 . 1 1 A 47 47 ILE CB C 47 37.652 39.842 -2.190 2
1 521 . 1 1 A 47 47 ILE N N 47 128.737 127.393 1.344 2
1 522 . 1 1 A 48 48 CYS H H 48 9.142 8.378 0.764 2
1 523 . 1 1 A 48 48 CYS HA H 48 4.126 4.388 -0.262 2
1 526 . 1 1 A 48 48 CYS C C 48 175.153 176.324 -1.171 2
1 527 . 1 1 A 48 48 CYS CA C 48 58.302 57.615 0.687 2
1 528 . 1 1 A 48 48 CYS CB C 48 32.494 29.495 2.999 2
1 529 . 1 1 A 48 48 CYS N N 48 130.912 126.272 4.640 2
1 530 . 1 1 A 49 49 ILE H H 49 7.748 8.637 -0.889 2
1 531 . 1 1 A 49 49 ILE HA H 49 3.956 3.787 0.169 2
1 541 . 1 1 A 49 49 ILE C C 49 177.115 177.521 -0.406 2
1 542 . 1 1 A 49 49 ILE CA C 49 63.096 63.768 -0.672 2
1 543 . 1 1 A 49 49 ILE CB C 49 38.630 37.645 0.985 2
1 547 . 1 1 A 49 49 ILE N N 49 113.518 118.457 -4.939 2
1 548 . 1 1 A 50 50 ASN H H 50 8.859 8.254 0.605 2
1 549 . 1 1 A 50 50 ASN HA H 50 4.709 4.548 0.161 2
1 554 . 1 1 A 50 50 ASN C C 50 176.868 176.744 0.124 2
1 555 . 1 1 A 50 50 ASN CA C 50 55.433 55.685 -0.252 2
1 556 . 1 1 A 50 50 ASN CB C 50 39.690 38.490 1.200 2
1 557 . 1 1 A 50 50 ASN N N 50 121.721 119.630 2.091 2
1 559 . 1 1 A 51 51 CYS H H 51 8.213 7.546 0.667 2
1 560 . 1 1 A 51 51 CYS HA H 51 4.113 4.524 -0.411 2
1 563 . 1 1 A 51 51 CYS C C 51 174.832 174.761 0.071 2
1 564 . 1 1 A 51 51 CYS CA C 51 62.048 58.829 3.219 2
1 565 . 1 1 A 51 51 CYS CB C 51 31.516 27.967 3.549 2
1 566 . 1 1 A 51 51 CYS N N 51 123.810 115.727 8.083 2
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