data_16209_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16209
_Entry.PDB_ID 2KGG
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 VAL H H 2 8.398 9.205 -0.807 1
1 2 . 1 1 1 A 2 2 VAL HA H 2 5.045 4.567 0.478 1
1 10 . 1 1 1 A 2 2 VAL C C 2 175.547 175.904 -0.357 1
1 11 . 1 1 1 A 2 2 VAL CA C 2 60.781 61.256 -0.475 1
1 12 . 1 1 1 A 2 2 VAL CB C 2 34.251 34.002 0.249 1
1 15 . 1 1 1 A 3 3 CYS H H 3 9.217 9.123 0.094 1
1 16 . 1 1 1 A 3 3 CYS HA H 3 5.017 4.823 0.194 1
1 19 . 1 1 1 A 3 3 CYS C C 3 174.515 174.490 0.025 1
1 20 . 1 1 1 A 3 3 CYS CA C 3 57.354 57.842 -0.488 1
1 21 . 1 1 1 A 3 3 CYS CB C 3 31.812 29.262 2.550 1
1 22 . 1 1 1 A 3 3 CYS N N 3 128.514 125.785 2.729 1
1 23 . 1 1 1 A 4 4 ALA H H 4 7.577 8.480 -0.903 1
1 24 . 1 1 1 A 4 4 ALA HA H 4 4.294 4.833 -0.539 1
1 28 . 1 1 1 A 4 4 ALA C C 4 177.618 176.534 1.084 1
1 29 . 1 1 1 A 4 4 ALA CA C 4 52.672 50.835 1.837 1
1 30 . 1 1 1 A 4 4 ALA CB C 4 18.970 20.154 -1.184 1
1 31 . 1 1 1 A 4 4 ALA N N 4 121.274 123.829 -2.555 1
1 32 . 1 1 1 A 5 5 ALA H H 5 9.064 8.548 0.516 1
1 33 . 1 1 1 A 5 5 ALA HA H 5 4.553 4.943 -0.390 1
1 37 . 1 1 1 A 5 5 ALA C C 5 177.906 177.379 0.527 1
1 38 . 1 1 1 A 5 5 ALA CA C 5 53.048 52.169 0.879 1
1 39 . 1 1 1 A 5 5 ALA CB C 5 19.508 22.509 -3.001 1
1 40 . 1 1 1 A 5 5 ALA N N 5 125.546 124.724 0.822 1
1 41 . 1 1 1 A 6 6 GLN H H 6 9.013 8.697 0.316 1
1 42 . 1 1 1 A 6 6 GLN HA H 6 4.099 4.165 -0.066 1
1 48 . 1 1 1 A 6 6 GLN C C 6 176.725 176.474 0.251 1
1 49 . 1 1 1 A 6 6 GLN CA C 6 58.528 58.934 -0.406 1
1 50 . 1 1 1 A 6 6 GLN CB C 6 28.394 28.759 -0.365 1
1 52 . 1 1 1 A 6 6 GLN N N 6 123.087 121.703 1.384 1
1 54 . 1 1 1 A 7 7 ASN H H 7 8.406 7.932 0.474 1
1 55 . 1 1 1 A 7 7 ASN HA H 7 4.883 5.073 -0.190 1
1 59 . 1 1 1 A 7 7 ASN C C 7 173.875 173.485 0.390 1
1 60 . 1 1 1 A 7 7 ASN CA C 7 51.765 51.842 -0.077 1
1 61 . 1 1 1 A 7 7 ASN CB C 7 37.899 39.322 -1.423 1
1 62 . 1 1 1 A 7 7 ASN N N 7 115.683 116.363 -0.680 1
1 64 . 1 1 1 A 8 8 CYS H H 8 7.743 8.683 -0.940 1
1 65 . 1 1 1 A 8 8 CYS HA H 8 4.975 4.803 0.172 1
1 68 . 1 1 1 A 8 8 CYS C C 8 177.334 176.480 0.854 1
1 69 . 1 1 1 A 8 8 CYS CA C 8 59.497 57.794 1.703 1
1 70 . 1 1 1 A 8 8 CYS CB C 8 29.111 29.782 -0.671 1
1 71 . 1 1 1 A 8 8 CYS N N 8 122.794 126.078 -3.284 1
1 72 . 1 1 1 A 9 9 GLN H H 9 9.862 8.830 1.032 1
1 73 . 1 1 1 A 9 9 GLN HA H 9 4.190 4.119 0.071 1
1 80 . 1 1 1 A 9 9 GLN C C 9 175.014 175.111 -0.097 1
1 81 . 1 1 1 A 9 9 GLN CA C 9 56.768 56.032 0.736 1
1 82 . 1 1 1 A 9 9 GLN CB C 9 28.755 28.763 -0.008 1
1 84 . 1 1 1 A 9 9 GLN N N 9 133.013 127.134 5.879 1
1 86 . 1 1 1 A 10 10 ARG H H 10 10.074 7.540 2.534 1
1 87 . 1 1 1 A 10 10 ARG HA H 10 4.152 3.928 0.224 1
1 93 . 1 1 1 A 10 10 ARG CA C 10 55.345 56.574 -1.229 1
1 94 . 1 1 1 A 10 10 ARG CB C 10 27.843 28.016 -0.173 1
1 97 . 1 1 1 A 10 10 ARG N N 10 122.014 115.741 6.273 1
1 98 . 1 1 1 A 11 11 PRO HA H 11 4.278 4.577 -0.299 1
1 104 . 1 1 1 A 11 11 PRO C C 11 177.028 175.620 1.408 1
1 105 . 1 1 1 A 11 11 PRO CA C 11 62.703 62.263 0.440 1
1 106 . 1 1 1 A 11 11 PRO CB C 11 31.618 32.107 -0.489 1
1 109 . 1 1 1 A 12 12 CYS H H 12 8.488 8.584 -0.096 1
1 110 . 1 1 1 A 12 12 CYS HA H 12 4.519 5.078 -0.559 1
1 113 . 1 1 1 A 12 12 CYS C C 12 174.690 173.660 1.030 1
1 114 . 1 1 1 A 12 12 CYS CA C 12 58.146 58.199 -0.053 1
1 115 . 1 1 1 A 12 12 CYS CB C 12 28.174 29.675 -1.501 1
1 116 . 1 1 1 A 12 12 CYS N N 12 118.868 121.838 -2.970 1
1 117 . 1 1 1 A 13 13 LYS H H 13 7.827 8.827 -1.000 1
1 118 . 1 1 1 A 13 13 LYS HA H 13 4.231 4.913 -0.682 1
1 124 . 1 1 1 A 13 13 LYS C C 13 175.756 176.075 -0.319 1
1 125 . 1 1 1 A 13 13 LYS CA C 13 56.836 54.944 1.892 1
1 126 . 1 1 1 A 13 13 LYS CB C 13 33.502 36.212 -2.710 1
1 130 . 1 1 1 A 13 13 LYS N N 13 122.032 126.931 -4.899 1
1 131 . 1 1 1 A 14 14 ASP H H 14 8.348 8.972 -0.624 1
1 132 . 1 1 1 A 14 14 ASP HA H 14 4.429 4.640 -0.211 1
1 135 . 1 1 1 A 14 14 ASP C C 14 176.011 176.239 -0.228 1
1 136 . 1 1 1 A 14 14 ASP CA C 14 55.877 54.273 1.604 1
1 137 . 1 1 1 A 14 14 ASP CB C 14 40.879 40.733 0.146 1
1 138 . 1 1 1 A 14 14 ASP N N 14 119.433 120.559 -1.126 1
1 139 . 1 1 1 A 15 15 LYS H H 15 7.898 7.729 0.169 1
1 140 . 1 1 1 A 15 15 LYS HA H 15 4.448 4.588 -0.140 1
1 146 . 1 1 1 A 15 15 LYS C C 15 175.094 175.439 -0.345 1
1 147 . 1 1 1 A 15 15 LYS CA C 15 55.647 55.472 0.175 1
1 148 . 1 1 1 A 15 15 LYS CB C 15 32.563 32.590 -0.027 1
1 151 . 1 1 1 A 15 15 LYS N N 15 119.751 116.719 3.032 1
1 152 . 1 1 1 A 16 16 VAL H H 16 7.977 7.661 0.316 1
1 153 . 1 1 1 A 16 16 VAL HA H 16 3.990 4.604 -0.614 1
1 161 . 1 1 1 A 16 16 VAL C C 16 173.871 174.942 -1.071 1
1 162 . 1 1 1 A 16 16 VAL CA C 16 61.261 60.903 0.358 1
1 163 . 1 1 1 A 16 16 VAL CB C 16 33.377 34.120 -0.743 1
1 166 . 1 1 1 A 16 16 VAL N N 16 122.186 120.832 1.354 1
1 167 . 1 1 1 A 17 17 ASP H H 17 7.749 8.788 -1.039 1
1 168 . 1 1 1 A 17 17 ASP HA H 17 5.082 4.914 0.168 1
1 171 . 1 1 1 A 17 17 ASP C C 17 176.746 176.551 0.195 1
1 172 . 1 1 1 A 17 17 ASP CA C 17 54.120 54.840 -0.720 1
1 173 . 1 1 1 A 17 17 ASP CB C 17 42.721 41.241 1.480 1
1 174 . 1 1 1 A 17 17 ASP N N 17 122.699 129.588 -6.889 1
1 175 . 1 1 1 A 18 18 TRP H H 18 9.513 9.388 0.125 1
1 176 . 1 1 1 A 18 18 TRP HA H 18 5.604 5.514 0.090 1
1 185 . 1 1 1 A 18 18 TRP C C 18 176.365 175.297 1.068 1
1 186 . 1 1 1 A 18 18 TRP CA C 18 57.700 55.975 1.725 1
1 187 . 1 1 1 A 18 18 TRP CB C 18 34.107 32.324 1.783 1
1 193 . 1 1 1 A 18 18 TRP N N 18 123.857 122.423 1.434 1
1 195 . 1 1 1 A 19 19 VAL H H 19 10.238 9.102 1.136 1
1 196 . 1 1 1 A 19 19 VAL HA H 19 4.670 4.978 -0.308 1
1 204 . 1 1 1 A 19 19 VAL CA C 19 61.089 59.530 1.559 1
1 205 . 1 1 1 A 19 19 VAL CB C 19 35.518 35.126 0.392 1
1 208 . 1 1 1 A 19 19 VAL N N 19 121.049 116.423 4.626 1
1 209 . 1 1 1 A 20 20 GLN H H 20 8.584 8.771 -0.187 1
1 210 . 1 1 1 A 20 20 GLN HA H 20 4.635 5.134 -0.499 1
1 217 . 1 1 1 A 20 20 GLN C C 20 175.662 175.005 0.657 1
1 218 . 1 1 1 A 20 20 GLN CA C 20 53.063 53.691 -0.628 1
1 219 . 1 1 1 A 20 20 GLN CB C 20 29.098 31.003 -1.905 1
1 221 . 1 1 1 A 20 20 GLN N N 20 130.340 123.070 7.270 1
1 223 . 1 1 1 A 21 21 CYS H H 21 8.740 8.846 -0.106 1
1 224 . 1 1 1 A 21 21 CYS HA H 21 4.588 5.303 -0.715 1
1 227 . 1 1 1 A 21 21 CYS CA C 21 60.617 58.191 2.426 1
1 228 . 1 1 1 A 21 21 CYS CB C 21 31.913 28.244 3.669 1
1 229 . 1 1 1 A 21 21 CYS N N 21 126.319 123.665 2.654 1
1 230 . 1 1 1 A 22 22 ASP H H 22 9.742 8.680 1.062 1
1 231 . 1 1 1 A 22 22 ASP HA H 22 5.079 4.724 0.355 1
1 234 . 1 1 1 A 22 22 ASP C C 22 178.015 176.804 1.211 1
1 235 . 1 1 1 A 22 22 ASP CA C 22 55.185 54.324 0.861 1
1 236 . 1 1 1 A 22 22 ASP CB C 22 42.664 41.263 1.401 1
1 237 . 1 1 1 A 22 22 ASP N N 22 130.603 126.356 4.247 1
1 238 . 1 1 1 A 23 23 GLY H H 23 10.762 8.014 2.748 1
1 239 . 1 1 1 A 23 23 GLY HA2 H 23 4.156 3.879 0.277 1
1 240 . 1 1 1 A 23 23 GLY HA3 H 23 3.536 3.900 -0.364 1
1 241 . 1 1 1 A 23 23 GLY C C 23 173.898 174.413 -0.515 1
1 242 . 1 1 1 A 23 23 GLY CA C 23 45.351 45.293 0.058 1
1 243 . 1 1 1 A 23 23 GLY N N 23 116.158 108.126 8.032 1
1 244 . 1 1 1 A 24 24 GLY H H 24 8.904 7.850 1.054 1
1 245 . 1 1 1 A 24 24 GLY HA2 H 24 3.499 4.017 -0.518 1
1 246 . 1 1 1 A 24 24 GLY HA3 H 24 4.740 4.018 0.722 1
1 247 . 1 1 1 A 24 24 GLY C C 24 175.291 175.818 -0.527 1
1 248 . 1 1 1 A 24 24 GLY CA C 24 45.209 45.367 -0.158 1
1 249 . 1 1 1 A 24 24 GLY N N 24 109.769 106.911 2.858 1
1 250 . 1 1 1 A 25 25 CYS H H 25 7.639 8.139 -0.500 1
1 251 . 1 1 1 A 25 25 CYS HA H 25 4.465 4.489 -0.024 1
1 254 . 1 1 1 A 25 25 CYS C C 25 175.738 174.190 1.548 1
1 255 . 1 1 1 A 25 25 CYS CA C 25 60.097 61.211 -1.114 1
1 256 . 1 1 1 A 25 25 CYS CB C 25 30.248 28.531 1.717 1
1 257 . 1 1 1 A 25 25 CYS N N 25 119.776 119.954 -0.178 1
1 258 . 1 1 1 A 26 26 ASP H H 26 8.209 7.720 0.489 1
1 259 . 1 1 1 A 26 26 ASP HA H 26 4.283 4.187 0.096 1
1 261 . 1 1 1 A 26 26 ASP C C 26 175.280 174.850 0.430 1
1 262 . 1 1 1 A 26 26 ASP CA C 26 56.107 55.418 0.689 1
1 263 . 1 1 1 A 26 26 ASP CB C 26 39.958 39.616 0.342 1
1 264 . 1 1 1 A 26 26 ASP N N 26 117.501 117.505 -0.004 1
1 265 . 1 1 1 A 27 27 GLU H H 27 9.023 8.031 0.992 1
1 266 . 1 1 1 A 27 27 GLU HA H 27 4.372 4.640 -0.268 1
1 271 . 1 1 1 A 27 27 GLU C C 27 174.686 175.427 -0.741 1
1 272 . 1 1 1 A 27 27 GLU CA C 27 58.185 55.536 2.649 1
1 273 . 1 1 1 A 27 27 GLU CB C 27 30.552 30.753 -0.201 1
1 275 . 1 1 1 A 27 27 GLU N N 27 123.133 117.663 5.470 1
1 276 . 1 1 1 A 28 28 TRP H H 28 8.452 8.872 -0.420 1
1 277 . 1 1 1 A 28 28 TRP HA H 28 4.967 5.821 -0.854 1
1 286 . 1 1 1 A 28 28 TRP C C 28 175.501 175.663 -0.162 1
1 287 . 1 1 1 A 28 28 TRP CA C 28 57.211 55.150 2.061 1
1 288 . 1 1 1 A 28 28 TRP CB C 28 31.524 31.913 -0.389 1
1 294 . 1 1 1 A 28 28 TRP N N 28 118.126 120.924 -2.798 1
1 296 . 1 1 1 A 29 29 PHE H H 29 9.699 10.015 -0.316 1
1 297 . 1 1 1 A 29 29 PHE HA H 29 4.994 5.198 -0.204 1
1 303 . 1 1 1 A 29 29 PHE C C 29 176.176 175.327 0.849 1
1 304 . 1 1 1 A 29 29 PHE CA C 29 56.712 56.626 0.086 1
1 305 . 1 1 1 A 29 29 PHE CB C 29 43.056 42.715 0.341 1
1 309 . 1 1 1 A 29 29 PHE N N 29 119.283 121.986 -2.703 1
1 310 . 1 1 1 A 30 30 HIS H H 30 9.676 8.484 1.192 1
1 311 . 1 1 1 A 30 30 HIS HA H 30 4.400 4.578 -0.178 1
1 316 . 1 1 1 A 30 30 HIS C C 30 177.509 176.112 1.397 1
1 317 . 1 1 1 A 30 30 HIS CA C 30 56.723 55.368 1.355 1
1 318 . 1 1 1 A 30 30 HIS CB C 30 29.686 30.836 -1.150 1
1 320 . 1 1 1 A 30 30 HIS N N 30 124.436 119.369 5.067 1
1 321 . 1 1 1 A 31 31 GLN H H 31 8.537 9.027 -0.490 1
1 322 . 1 1 1 A 31 31 GLN HA H 31 3.486 3.833 -0.347 1
1 329 . 1 1 1 A 31 31 GLN C C 31 179.005 178.259 0.746 1
1 330 . 1 1 1 A 31 31 GLN CA C 31 60.606 59.023 1.583 1
1 331 . 1 1 1 A 31 31 GLN CB C 31 26.624 28.227 -1.603 1
1 333 . 1 1 1 A 31 31 GLN N N 31 124.297 122.781 1.516 1
1 335 . 1 1 1 A 32 32 VAL H H 32 8.688 7.957 0.731 1
1 336 . 1 1 1 A 32 32 VAL HA H 32 4.060 3.807 0.253 1
1 344 . 1 1 1 A 32 32 VAL C C 32 178.001 177.549 0.452 1
1 345 . 1 1 1 A 32 32 VAL CA C 32 64.333 64.537 -0.204 1
1 346 . 1 1 1 A 32 32 VAL CB C 32 31.703 31.576 0.127 1
1 349 . 1 1 1 A 32 32 VAL N N 32 113.575 119.114 -5.539 1
1 350 . 1 1 1 A 33 33 CYS H H 33 6.893 8.230 -1.337 1
1 351 . 1 1 1 A 33 33 CYS HA H 33 4.151 4.192 -0.041 1
1 354 . 1 1 1 A 33 33 CYS C C 33 177.137 175.647 1.490 1
1 355 . 1 1 1 A 33 33 CYS CA C 33 62.650 61.653 0.997 1
1 356 . 1 1 1 A 33 33 CYS CB C 33 29.399 27.317 2.082 1
1 357 . 1 1 1 A 33 33 CYS N N 33 120.368 120.039 0.329 1
1 358 . 1 1 1 A 34 34 VAL H H 34 7.137 7.788 -0.651 1
1 359 . 1 1 1 A 34 34 VAL HA H 34 4.564 4.324 0.240 1
1 367 . 1 1 1 A 34 34 VAL C C 34 175.969 175.924 0.045 1
1 368 . 1 1 1 A 34 34 VAL CA C 34 60.138 62.581 -2.443 1
1 369 . 1 1 1 A 34 34 VAL CB C 34 31.887 31.962 -0.075 1
1 372 . 1 1 1 A 34 34 VAL N N 34 106.615 118.824 -12.209 1
1 373 . 1 1 1 A 35 35 GLY H H 35 7.506 7.839 -0.333 1
1 374 . 1 1 1 A 35 35 GLY HA2 H 35 3.864 3.907 -0.043 1
1 375 . 1 1 1 A 35 35 GLY HA3 H 35 3.940 3.922 0.018 1
1 376 . 1 1 1 A 35 35 GLY C C 35 174.670 174.266 0.404 1
1 377 . 1 1 1 A 35 35 GLY CA C 35 47.029 46.885 0.144 1
1 378 . 1 1 1 A 35 35 GLY N N 35 110.034 111.426 -1.392 1
1 379 . 1 1 1 A 36 36 VAL H H 36 7.621 8.176 -0.555 1
1 380 . 1 1 1 A 36 36 VAL HA H 36 4.300 4.506 -0.206 1
1 388 . 1 1 1 A 36 36 VAL C C 36 174.260 174.851 -0.591 1
1 389 . 1 1 1 A 36 36 VAL CA C 36 61.084 60.370 0.714 1
1 390 . 1 1 1 A 36 36 VAL CB C 36 34.059 35.154 -1.095 1
1 393 . 1 1 1 A 36 36 VAL N N 36 119.403 119.667 -0.264 1
1 394 . 1 1 1 A 37 37 SER H H 37 8.007 8.730 -0.723 1
1 395 . 1 1 1 A 37 37 SER HA H 37 4.861 4.997 -0.136 1
1 398 . 1 1 1 A 37 37 SER CA C 37 55.564 55.938 -0.374 1
1 399 . 1 1 1 A 37 37 SER CB C 37 63.789 63.770 0.019 1
1 400 . 1 1 1 A 37 37 SER N N 37 122.814 119.845 2.969 1
1 401 . 1 1 1 A 38 38 PRO HA H 38 4.337 4.750 -0.413 1
1 407 . 1 1 1 A 38 38 PRO C C 38 179.162 177.713 1.449 1
1 408 . 1 1 1 A 38 38 PRO CA C 38 65.551 64.687 0.864 1
1 409 . 1 1 1 A 38 38 PRO CB C 38 31.882 31.983 -0.101 1
1 412 . 1 1 1 A 39 39 GLU H H 39 8.520 8.265 0.255 1
1 413 . 1 1 1 A 39 39 GLU HA H 39 4.126 4.134 -0.008 1
1 418 . 1 1 1 A 39 39 GLU C C 39 178.588 178.884 -0.296 1
1 419 . 1 1 1 A 39 39 GLU CA C 39 59.321 59.440 -0.119 1
1 420 . 1 1 1 A 39 39 GLU CB C 39 29.016 29.091 -0.075 1
1 422 . 1 1 1 A 39 39 GLU N N 39 116.621 118.136 -1.515 1
1 423 . 1 1 1 A 40 40 MET H H 40 7.707 7.987 -0.280 1
1 424 . 1 1 1 A 40 40 MET HA H 40 4.169 4.385 -0.216 1
1 431 . 1 1 1 A 40 40 MET C C 40 177.937 177.970 -0.033 1
1 432 . 1 1 1 A 40 40 MET CA C 40 58.076 57.454 0.622 1
1 433 . 1 1 1 A 40 40 MET CB C 40 33.752 32.150 1.602 1
1 436 . 1 1 1 A 40 40 MET N N 40 120.129 119.372 0.757 1
1 437 . 1 1 1 A 41 41 ALA H H 41 8.214 8.034 0.180 1
1 438 . 1 1 1 A 41 41 ALA HA H 41 4.148 3.944 0.204 1
1 442 . 1 1 1 A 41 41 ALA C C 41 179.237 179.367 -0.130 1
1 443 . 1 1 1 A 41 41 ALA CA C 41 54.188 55.512 -1.324 1
1 444 . 1 1 1 A 41 41 ALA CB C 41 18.596 18.457 0.139 1
1 445 . 1 1 1 A 41 41 ALA N N 41 121.551 121.550 0.001 1
1 446 . 1 1 1 A 42 42 GLU H H 42 7.823 7.681 0.142 1
1 447 . 1 1 1 A 42 42 GLU HA H 42 4.377 4.228 0.149 1
1 450 . 1 1 1 A 42 42 GLU C C 42 177.669 177.584 0.085 1
1 451 . 1 1 1 A 42 42 GLU CA C 42 57.775 58.211 -0.436 1
1 452 . 1 1 1 A 42 42 GLU CB C 42 30.495 30.075 0.420 1
1 454 . 1 1 1 A 42 42 GLU N N 42 115.185 117.938 -2.753 1
1 455 . 1 1 1 A 43 43 ASN H H 43 7.817 7.476 0.341 1
1 456 . 1 1 1 A 43 43 ASN HA H 43 4.845 4.848 -0.003 1
1 461 . 1 1 1 A 43 43 ASN C C 43 174.634 175.260 -0.626 1
1 462 . 1 1 1 A 43 43 ASN CA C 43 54.343 54.071 0.272 1
1 463 . 1 1 1 A 43 43 ASN CB C 43 40.910 40.993 -0.083 1
1 464 . 1 1 1 A 43 43 ASN N N 43 115.082 116.060 -0.978 1
1 466 . 1 1 1 A 44 44 GLU H H 44 8.140 8.320 -0.180 1
1 467 . 1 1 1 A 44 44 GLU HA H 44 4.572 4.742 -0.170 1
1 471 . 1 1 1 A 44 44 GLU C C 44 172.191 174.189 -1.998 1
1 472 . 1 1 1 A 44 44 GLU CA C 44 55.221 54.794 0.427 1
1 473 . 1 1 1 A 44 44 GLU CB C 44 32.235 33.326 -1.091 1
1 475 . 1 1 1 A 44 44 GLU N N 44 119.186 116.995 2.191 1
1 476 . 1 1 1 A 45 45 ASP H H 45 8.392 8.638 -0.246 1
1 477 . 1 1 1 A 45 45 ASP HA H 45 5.044 4.892 0.152 1
1 480 . 1 1 1 A 45 45 ASP CA C 45 53.829 52.781 1.048 1
1 481 . 1 1 1 A 45 45 ASP CB C 45 41.271 41.646 -0.375 1
1 482 . 1 1 1 A 45 45 ASP N N 45 121.008 121.845 -0.837 1
1 483 . 1 1 1 A 46 46 TYR H H 46 9.307 8.981 0.326 1
1 484 . 1 1 1 A 46 46 TYR HA H 46 4.508 4.651 -0.143 1
1 489 . 1 1 1 A 46 46 TYR C C 46 172.490 174.226 -1.736 1
1 490 . 1 1 1 A 46 46 TYR CA C 46 58.416 57.117 1.299 1
1 491 . 1 1 1 A 46 46 TYR CB C 46 39.842 38.673 1.169 1
1 494 . 1 1 1 A 46 46 TYR N N 46 124.739 128.069 -3.330 1
1 495 . 1 1 1 A 47 47 ILE H H 47 7.204 8.686 -1.482 1
1 496 . 1 1 1 A 47 47 ILE HA H 47 4.464 4.350 0.114 1
1 506 . 1 1 1 A 47 47 ILE C C 47 174.754 175.110 -0.356 1
1 507 . 1 1 1 A 47 47 ILE CA C 47 58.308 59.921 -1.613 1
1 508 . 1 1 1 A 47 47 ILE CB C 47 37.997 39.350 -1.353 1
1 512 . 1 1 1 A 47 47 ILE N N 47 128.235 127.831 0.404 1
1 513 . 1 1 1 A 48 48 CYS H H 48 9.441 8.162 1.279 1
1 514 . 1 1 1 A 48 48 CYS HA H 48 4.132 4.365 -0.233 1
1 517 . 1 1 1 A 48 48 CYS C C 48 175.259 175.396 -0.137 1
1 518 . 1 1 1 A 48 48 CYS CA C 48 58.247 56.183 2.064 1
1 519 . 1 1 1 A 48 48 CYS CB C 48 32.230 29.296 2.934 1
1 520 . 1 1 1 A 48 48 CYS N N 48 131.299 123.164 8.135 1
1 521 . 1 1 1 A 49 49 ILE H H 49 7.753 8.603 -0.850 1
1 522 . 1 1 1 A 49 49 ILE HA H 49 3.968 3.859 0.109 1
1 532 . 1 1 1 A 49 49 ILE C C 49 177.248 177.636 -0.388 1
1 533 . 1 1 1 A 49 49 ILE CA C 49 63.078 64.204 -1.126 1
1 534 . 1 1 1 A 49 49 ILE CB C 49 38.535 37.703 0.832 1
1 538 . 1 1 1 A 49 49 ILE N N 49 113.316 121.572 -8.256 1
1 539 . 1 1 1 A 50 50 ASN H H 50 8.884 7.742 1.142 1
1 540 . 1 1 1 A 50 50 ASN HA H 50 4.729 4.552 0.177 1
1 545 . 1 1 1 A 50 50 ASN C C 50 176.793 177.940 -1.147 1
1 546 . 1 1 1 A 50 50 ASN CA C 50 55.405 55.889 -0.484 1
1 547 . 1 1 1 A 50 50 ASN CB C 50 39.719 38.254 1.465 1
1 548 . 1 1 1 A 50 50 ASN N N 50 121.756 119.621 2.135 1
1 550 . 1 1 1 A 51 51 CYS H H 51 8.179 8.035 0.144 1
1 551 . 1 1 1 A 51 51 CYS HA H 51 4.121 4.223 -0.102 1
1 554 . 1 1 1 A 51 51 CYS C C 51 174.880 176.595 -1.715 1
1 555 . 1 1 1 A 51 51 CYS CA C 51 61.889 63.389 -1.500 1
1 556 . 1 1 1 A 51 51 CYS CB C 51 31.444 27.166 4.278 1
1 557 . 1 1 1 A 51 51 CYS N N 51 123.907 118.277 5.630 1
1 1 . 2 1 1 A 2 2 VAL H H 2 8.398 8.936 -0.538 1
1 2 . 2 1 1 A 2 2 VAL HA H 2 5.045 4.534 0.511 1
1 10 . 2 1 1 A 2 2 VAL C C 2 175.547 175.875 -0.328 1
1 11 . 2 1 1 A 2 2 VAL CA C 2 60.781 61.364 -0.583 1
1 12 . 2 1 1 A 2 2 VAL CB C 2 34.251 33.728 0.523 1
1 15 . 2 1 1 A 3 3 CYS H H 3 9.217 9.223 -0.006 1
1 16 . 2 1 1 A 3 3 CYS HA H 3 5.017 4.966 0.051 1
1 19 . 2 1 1 A 3 3 CYS C C 3 174.515 174.558 -0.043 1
1 20 . 2 1 1 A 3 3 CYS CA C 3 57.354 57.523 -0.169 1
1 21 . 2 1 1 A 3 3 CYS CB C 3 31.812 29.076 2.736 1
1 22 . 2 1 1 A 3 3 CYS N N 3 128.514 126.088 2.426 1
1 23 . 2 1 1 A 4 4 ALA H H 4 7.577 8.311 -0.734 1
1 24 . 2 1 1 A 4 4 ALA HA H 4 4.294 4.825 -0.531 1
1 28 . 2 1 1 A 4 4 ALA C C 4 177.618 176.428 1.190 1
1 29 . 2 1 1 A 4 4 ALA CA C 4 52.672 50.567 2.105 1
1 30 . 2 1 1 A 4 4 ALA CB C 4 18.970 20.186 -1.216 1
1 31 . 2 1 1 A 4 4 ALA N N 4 121.274 123.448 -2.174 1
1 32 . 2 1 1 A 5 5 ALA H H 5 9.064 8.351 0.713 1
1 33 . 2 1 1 A 5 5 ALA HA H 5 4.553 4.904 -0.351 1
1 37 . 2 1 1 A 5 5 ALA C C 5 177.906 177.304 0.602 1
1 38 . 2 1 1 A 5 5 ALA CA C 5 53.048 51.809 1.239 1
1 39 . 2 1 1 A 5 5 ALA CB C 5 19.508 22.046 -2.538 1
1 40 . 2 1 1 A 5 5 ALA N N 5 125.546 124.257 1.289 1
1 41 . 2 1 1 A 6 6 GLN H H 6 9.013 8.599 0.414 1
1 42 . 2 1 1 A 6 6 GLN HA H 6 4.099 4.154 -0.055 1
1 48 . 2 1 1 A 6 6 GLN C C 6 176.725 176.255 0.470 1
1 49 . 2 1 1 A 6 6 GLN CA C 6 58.528 59.023 -0.495 1
1 50 . 2 1 1 A 6 6 GLN CB C 6 28.394 28.899 -0.505 1
1 52 . 2 1 1 A 6 6 GLN N N 6 123.087 121.129 1.958 1
1 54 . 2 1 1 A 7 7 ASN H H 7 8.406 7.980 0.426 1
1 55 . 2 1 1 A 7 7 ASN HA H 7 4.883 5.101 -0.218 1
1 59 . 2 1 1 A 7 7 ASN C C 7 173.875 173.394 0.481 1
1 60 . 2 1 1 A 7 7 ASN CA C 7 51.765 52.135 -0.370 1
1 61 . 2 1 1 A 7 7 ASN CB C 7 37.899 40.233 -2.334 1
1 62 . 2 1 1 A 7 7 ASN N N 7 115.683 116.077 -0.394 1
1 64 . 2 1 1 A 8 8 CYS H H 8 7.743 8.851 -1.108 1
1 65 . 2 1 1 A 8 8 CYS HA H 8 4.975 4.776 0.199 1
1 68 . 2 1 1 A 8 8 CYS C C 8 177.334 176.447 0.887 1
1 69 . 2 1 1 A 8 8 CYS CA C 8 59.497 57.782 1.715 1
1 70 . 2 1 1 A 8 8 CYS CB C 8 29.111 29.812 -0.701 1
1 71 . 2 1 1 A 8 8 CYS N N 8 122.794 126.332 -3.538 1
1 72 . 2 1 1 A 9 9 GLN H H 9 9.862 8.822 1.040 1
1 73 . 2 1 1 A 9 9 GLN HA H 9 4.190 4.134 0.056 1
1 80 . 2 1 1 A 9 9 GLN C C 9 175.014 175.214 -0.200 1
1 81 . 2 1 1 A 9 9 GLN CA C 9 56.768 55.926 0.842 1
1 82 . 2 1 1 A 9 9 GLN CB C 9 28.755 28.811 -0.056 1
1 84 . 2 1 1 A 9 9 GLN N N 9 133.013 127.125 5.888 1
1 86 . 2 1 1 A 10 10 ARG H H 10 10.074 7.686 2.388 1
1 87 . 2 1 1 A 10 10 ARG HA H 10 4.152 3.961 0.191 1
1 93 . 2 1 1 A 10 10 ARG CA C 10 55.345 56.934 -1.589 1
1 94 . 2 1 1 A 10 10 ARG CB C 10 27.843 28.859 -1.016 1
1 97 . 2 1 1 A 10 10 ARG N N 10 122.014 119.289 2.725 1
1 98 . 2 1 1 A 11 11 PRO HA H 11 4.278 4.655 -0.377 1
1 104 . 2 1 1 A 11 11 PRO C C 11 177.028 175.503 1.525 1
1 105 . 2 1 1 A 11 11 PRO CA C 11 62.703 62.041 0.662 1
1 106 . 2 1 1 A 11 11 PRO CB C 11 31.618 32.187 -0.569 1
1 109 . 2 1 1 A 12 12 CYS H H 12 8.488 8.632 -0.144 1
1 110 . 2 1 1 A 12 12 CYS HA H 12 4.519 5.168 -0.649 1
1 113 . 2 1 1 A 12 12 CYS C C 12 174.690 173.518 1.172 1
1 114 . 2 1 1 A 12 12 CYS CA C 12 58.146 57.951 0.195 1
1 115 . 2 1 1 A 12 12 CYS CB C 12 28.174 30.241 -2.067 1
1 116 . 2 1 1 A 12 12 CYS N N 12 118.868 121.326 -2.458 1
1 117 . 2 1 1 A 13 13 LYS H H 13 7.827 8.452 -0.625 1
1 118 . 2 1 1 A 13 13 LYS HA H 13 4.231 4.782 -0.551 1
1 124 . 2 1 1 A 13 13 LYS C C 13 175.756 176.465 -0.709 1
1 125 . 2 1 1 A 13 13 LYS CA C 13 56.836 54.357 2.479 1
1 126 . 2 1 1 A 13 13 LYS CB C 13 33.502 36.014 -2.512 1
1 130 . 2 1 1 A 13 13 LYS N N 13 122.032 126.824 -4.792 1
1 131 . 2 1 1 A 14 14 ASP H H 14 8.348 8.646 -0.298 1
1 132 . 2 1 1 A 14 14 ASP HA H 14 4.429 4.513 -0.084 1
1 135 . 2 1 1 A 14 14 ASP C C 14 176.011 177.389 -1.378 1
1 136 . 2 1 1 A 14 14 ASP CA C 14 55.877 56.726 -0.849 1
1 137 . 2 1 1 A 14 14 ASP CB C 14 40.879 41.191 -0.312 1
1 138 . 2 1 1 A 14 14 ASP N N 14 119.433 121.918 -2.485 1
1 139 . 2 1 1 A 15 15 LYS H H 15 7.898 7.759 0.139 1
1 140 . 2 1 1 A 15 15 LYS HA H 15 4.448 4.427 0.021 1
1 146 . 2 1 1 A 15 15 LYS C C 15 175.094 175.931 -0.837 1
1 147 . 2 1 1 A 15 15 LYS CA C 15 55.647 56.032 -0.385 1
1 148 . 2 1 1 A 15 15 LYS CB C 15 32.563 31.415 1.148 1
1 151 . 2 1 1 A 15 15 LYS N N 15 119.751 117.576 2.175 1
1 152 . 2 1 1 A 16 16 VAL H H 16 7.977 7.918 0.059 1
1 153 . 2 1 1 A 16 16 VAL HA H 16 3.990 4.525 -0.535 1
1 161 . 2 1 1 A 16 16 VAL C C 16 173.871 174.380 -0.509 1
1 162 . 2 1 1 A 16 16 VAL CA C 16 61.261 60.823 0.438 1
1 163 . 2 1 1 A 16 16 VAL CB C 16 33.377 33.363 0.014 1
1 166 . 2 1 1 A 16 16 VAL N N 16 122.186 122.898 -0.712 1
1 167 . 2 1 1 A 17 17 ASP H H 17 7.749 8.888 -1.139 1
1 168 . 2 1 1 A 17 17 ASP HA H 17 5.082 4.997 0.085 1
1 171 . 2 1 1 A 17 17 ASP C C 17 176.746 176.384 0.362 1
1 172 . 2 1 1 A 17 17 ASP CA C 17 54.120 54.775 -0.655 1
1 173 . 2 1 1 A 17 17 ASP CB C 17 42.721 41.099 1.622 1
1 174 . 2 1 1 A 17 17 ASP N N 17 122.699 128.848 -6.149 1
1 175 . 2 1 1 A 18 18 TRP H H 18 9.513 9.333 0.180 1
1 176 . 2 1 1 A 18 18 TRP HA H 18 5.604 5.418 0.186 1
1 185 . 2 1 1 A 18 18 TRP C C 18 176.365 175.539 0.826 1
1 186 . 2 1 1 A 18 18 TRP CA C 18 57.700 56.469 1.231 1
1 187 . 2 1 1 A 18 18 TRP CB C 18 34.107 32.191 1.916 1
1 193 . 2 1 1 A 18 18 TRP N N 18 123.857 123.042 0.815 1
1 195 . 2 1 1 A 19 19 VAL H H 19 10.238 9.047 1.191 1
1 196 . 2 1 1 A 19 19 VAL HA H 19 4.670 4.824 -0.154 1
1 204 . 2 1 1 A 19 19 VAL CA C 19 61.089 59.273 1.816 1
1 205 . 2 1 1 A 19 19 VAL CB C 19 35.518 34.870 0.648 1
1 208 . 2 1 1 A 19 19 VAL N N 19 121.049 116.253 4.796 1
1 209 . 2 1 1 A 20 20 GLN H H 20 8.584 8.627 -0.043 1
1 210 . 2 1 1 A 20 20 GLN HA H 20 4.635 5.234 -0.599 1
1 217 . 2 1 1 A 20 20 GLN C C 20 175.662 174.994 0.668 1
1 218 . 2 1 1 A 20 20 GLN CA C 20 53.063 53.633 -0.570 1
1 219 . 2 1 1 A 20 20 GLN CB C 20 29.098 31.348 -2.250 1
1 221 . 2 1 1 A 20 20 GLN N N 20 130.340 122.607 7.733 1
1 223 . 2 1 1 A 21 21 CYS H H 21 8.740 8.987 -0.247 1
1 224 . 2 1 1 A 21 21 CYS HA H 21 4.588 5.030 -0.442 1
1 227 . 2 1 1 A 21 21 CYS CA C 21 60.617 58.529 2.088 1
1 228 . 2 1 1 A 21 21 CYS CB C 21 31.913 28.221 3.692 1
1 229 . 2 1 1 A 21 21 CYS N N 21 126.319 123.828 2.491 1
1 230 . 2 1 1 A 22 22 ASP H H 22 9.742 8.706 1.036 1
1 231 . 2 1 1 A 22 22 ASP HA H 22 5.079 4.752 0.327 1
1 234 . 2 1 1 A 22 22 ASP C C 22 178.015 176.808 1.207 1
1 235 . 2 1 1 A 22 22 ASP CA C 22 55.185 54.404 0.781 1
1 236 . 2 1 1 A 22 22 ASP CB C 22 42.664 41.277 1.387 1
1 237 . 2 1 1 A 22 22 ASP N N 22 130.603 126.256 4.347 1
1 238 . 2 1 1 A 23 23 GLY H H 23 10.762 8.109 2.653 1
1 239 . 2 1 1 A 23 23 GLY HA2 H 23 4.156 3.880 0.276 1
1 240 . 2 1 1 A 23 23 GLY HA3 H 23 3.536 3.899 -0.363 1
1 241 . 2 1 1 A 23 23 GLY C C 23 173.898 174.506 -0.608 1
1 242 . 2 1 1 A 23 23 GLY CA C 23 45.351 45.469 -0.118 1
1 243 . 2 1 1 A 23 23 GLY N N 23 116.158 108.185 7.973 1
1 244 . 2 1 1 A 24 24 GLY H H 24 8.904 7.752 1.152 1
1 245 . 2 1 1 A 24 24 GLY HA2 H 24 3.499 4.033 -0.534 1
1 246 . 2 1 1 A 24 24 GLY HA3 H 24 4.740 4.033 0.707 1
1 247 . 2 1 1 A 24 24 GLY C C 24 175.291 175.766 -0.475 1
1 248 . 2 1 1 A 24 24 GLY CA C 24 45.209 45.379 -0.170 1
1 249 . 2 1 1 A 24 24 GLY N N 24 109.769 106.419 3.350 1
1 250 . 2 1 1 A 25 25 CYS H H 25 7.639 8.214 -0.575 1
1 251 . 2 1 1 A 25 25 CYS HA H 25 4.465 4.547 -0.082 1
1 254 . 2 1 1 A 25 25 CYS C C 25 175.738 174.223 1.515 1
1 255 . 2 1 1 A 25 25 CYS CA C 25 60.097 60.699 -0.602 1
1 256 . 2 1 1 A 25 25 CYS CB C 25 30.248 28.565 1.683 1
1 257 . 2 1 1 A 25 25 CYS N N 25 119.776 119.880 -0.104 1
1 258 . 2 1 1 A 26 26 ASP H H 26 8.209 7.747 0.462 1
1 259 . 2 1 1 A 26 26 ASP HA H 26 4.283 4.233 0.050 1
1 261 . 2 1 1 A 26 26 ASP C C 26 175.280 174.891 0.389 1
1 262 . 2 1 1 A 26 26 ASP CA C 26 56.107 55.464 0.643 1
1 263 . 2 1 1 A 26 26 ASP CB C 26 39.958 39.681 0.277 1
1 264 . 2 1 1 A 26 26 ASP N N 26 117.501 117.756 -0.255 1
1 265 . 2 1 1 A 27 27 GLU H H 27 9.023 8.064 0.959 1
1 266 . 2 1 1 A 27 27 GLU HA H 27 4.372 4.713 -0.341 1
1 271 . 2 1 1 A 27 27 GLU C C 27 174.686 175.621 -0.935 1
1 272 . 2 1 1 A 27 27 GLU CA C 27 58.185 55.282 2.903 1
1 273 . 2 1 1 A 27 27 GLU CB C 27 30.552 30.695 -0.143 1
1 275 . 2 1 1 A 27 27 GLU N N 27 123.133 117.643 5.490 1
1 276 . 2 1 1 A 28 28 TRP H H 28 8.452 8.918 -0.466 1
1 277 . 2 1 1 A 28 28 TRP HA H 28 4.967 5.843 -0.876 1
1 286 . 2 1 1 A 28 28 TRP C C 28 175.501 175.736 -0.235 1
1 287 . 2 1 1 A 28 28 TRP CA C 28 57.211 55.160 2.051 1
1 288 . 2 1 1 A 28 28 TRP CB C 28 31.524 31.799 -0.275 1
1 294 . 2 1 1 A 28 28 TRP N N 28 118.126 120.523 -2.397 1
1 296 . 2 1 1 A 29 29 PHE H H 29 9.699 10.041 -0.342 1
1 297 . 2 1 1 A 29 29 PHE HA H 29 4.994 5.210 -0.216 1
1 303 . 2 1 1 A 29 29 PHE C C 29 176.176 175.244 0.932 1
1 304 . 2 1 1 A 29 29 PHE CA C 29 56.712 56.324 0.388 1
1 305 . 2 1 1 A 29 29 PHE CB C 29 43.056 43.200 -0.144 1
1 309 . 2 1 1 A 29 29 PHE N N 29 119.283 121.807 -2.524 1
1 310 . 2 1 1 A 30 30 HIS H H 30 9.676 8.338 1.338 1
1 311 . 2 1 1 A 30 30 HIS HA H 30 4.400 4.592 -0.192 1
1 316 . 2 1 1 A 30 30 HIS C C 30 177.509 176.093 1.416 1
1 317 . 2 1 1 A 30 30 HIS CA C 30 56.723 54.867 1.856 1
1 318 . 2 1 1 A 30 30 HIS CB C 30 29.686 31.166 -1.480 1
1 320 . 2 1 1 A 30 30 HIS N N 30 124.436 119.253 5.183 1
1 321 . 2 1 1 A 31 31 GLN H H 31 8.537 8.931 -0.394 1
1 322 . 2 1 1 A 31 31 GLN HA H 31 3.486 3.759 -0.273 1
1 329 . 2 1 1 A 31 31 GLN C C 31 179.005 178.414 0.591 1
1 330 . 2 1 1 A 31 31 GLN CA C 31 60.606 59.414 1.192 1
1 331 . 2 1 1 A 31 31 GLN CB C 31 26.624 28.381 -1.757 1
1 333 . 2 1 1 A 31 31 GLN N N 31 124.297 122.891 1.406 1
1 335 . 2 1 1 A 32 32 VAL H H 32 8.688 8.104 0.584 1
1 336 . 2 1 1 A 32 32 VAL HA H 32 4.060 3.739 0.321 1
1 344 . 2 1 1 A 32 32 VAL C C 32 178.001 177.624 0.377 1
1 345 . 2 1 1 A 32 32 VAL CA C 32 64.333 64.800 -0.467 1
1 346 . 2 1 1 A 32 32 VAL CB C 32 31.703 31.195 0.508 1
1 349 . 2 1 1 A 32 32 VAL N N 32 113.575 119.227 -5.652 1
1 350 . 2 1 1 A 33 33 CYS H H 33 6.893 8.273 -1.380 1
1 351 . 2 1 1 A 33 33 CYS HA H 33 4.151 4.189 -0.038 1
1 354 . 2 1 1 A 33 33 CYS C C 33 177.137 175.528 1.609 1
1 355 . 2 1 1 A 33 33 CYS CA C 33 62.650 61.505 1.145 1
1 356 . 2 1 1 A 33 33 CYS CB C 33 29.399 27.130 2.269 1
1 357 . 2 1 1 A 33 33 CYS N N 33 120.368 119.309 1.059 1
1 358 . 2 1 1 A 34 34 VAL H H 34 7.137 7.756 -0.619 1
1 359 . 2 1 1 A 34 34 VAL HA H 34 4.564 4.365 0.199 1
1 367 . 2 1 1 A 34 34 VAL C C 34 175.969 175.997 -0.028 1
1 368 . 2 1 1 A 34 34 VAL CA C 34 60.138 62.251 -2.113 1
1 369 . 2 1 1 A 34 34 VAL CB C 34 31.887 31.795 0.092 1
1 372 . 2 1 1 A 34 34 VAL N N 34 106.615 118.643 -12.028 1
1 373 . 2 1 1 A 35 35 GLY H H 35 7.506 7.678 -0.172 1
1 374 . 2 1 1 A 35 35 GLY HA2 H 35 3.864 3.955 -0.091 1
1 375 . 2 1 1 A 35 35 GLY HA3 H 35 3.940 3.965 -0.025 1
1 376 . 2 1 1 A 35 35 GLY C C 35 174.670 174.679 -0.009 1
1 377 . 2 1 1 A 35 35 GLY CA C 35 47.029 46.665 0.364 1
1 378 . 2 1 1 A 35 35 GLY N N 35 110.034 111.277 -1.243 1
1 379 . 2 1 1 A 36 36 VAL H H 36 7.621 8.674 -1.053 1
1 380 . 2 1 1 A 36 36 VAL HA H 36 4.300 4.331 -0.031 1
1 388 . 2 1 1 A 36 36 VAL C C 36 174.260 176.077 -1.817 1
1 389 . 2 1 1 A 36 36 VAL CA C 36 61.084 61.643 -0.559 1
1 390 . 2 1 1 A 36 36 VAL CB C 36 34.059 33.061 0.998 1
1 393 . 2 1 1 A 36 36 VAL N N 36 119.403 119.953 -0.550 1
1 394 . 2 1 1 A 37 37 SER H H 37 8.007 9.017 -1.010 1
1 395 . 2 1 1 A 37 37 SER HA H 37 4.861 5.040 -0.179 1
1 398 . 2 1 1 A 37 37 SER CA C 37 55.564 55.895 -0.331 1
1 399 . 2 1 1 A 37 37 SER CB C 37 63.789 63.890 -0.101 1
1 400 . 2 1 1 A 37 37 SER N N 37 122.814 119.575 3.239 1
1 401 . 2 1 1 A 38 38 PRO HA H 38 4.337 4.995 -0.658 1
1 407 . 2 1 1 A 38 38 PRO C C 38 179.162 177.790 1.372 1
1 408 . 2 1 1 A 38 38 PRO CA C 38 65.551 64.721 0.830 1
1 409 . 2 1 1 A 38 38 PRO CB C 38 31.882 32.016 -0.134 1
1 412 . 2 1 1 A 39 39 GLU H H 39 8.520 8.275 0.245 1
1 413 . 2 1 1 A 39 39 GLU HA H 39 4.126 4.140 -0.014 1
1 418 . 2 1 1 A 39 39 GLU C C 39 178.588 178.806 -0.218 1
1 419 . 2 1 1 A 39 39 GLU CA C 39 59.321 59.435 -0.114 1
1 420 . 2 1 1 A 39 39 GLU CB C 39 29.016 29.097 -0.081 1
1 422 . 2 1 1 A 39 39 GLU N N 39 116.621 118.137 -1.516 1
1 423 . 2 1 1 A 40 40 MET H H 40 7.707 7.923 -0.216 1
1 424 . 2 1 1 A 40 40 MET HA H 40 4.169 4.408 -0.239 1
1 431 . 2 1 1 A 40 40 MET C C 40 177.937 177.972 -0.035 1
1 432 . 2 1 1 A 40 40 MET CA C 40 58.076 57.326 0.750 1
1 433 . 2 1 1 A 40 40 MET CB C 40 33.752 32.113 1.639 1
1 436 . 2 1 1 A 40 40 MET N N 40 120.129 119.394 0.735 1
1 437 . 2 1 1 A 41 41 ALA H H 41 8.214 7.975 0.239 1
1 438 . 2 1 1 A 41 41 ALA HA H 41 4.148 3.980 0.168 1
1 442 . 2 1 1 A 41 41 ALA C C 41 179.237 179.035 0.202 1
1 443 . 2 1 1 A 41 41 ALA CA C 41 54.188 55.440 -1.252 1
1 444 . 2 1 1 A 41 41 ALA CB C 41 18.596 18.339 0.257 1
1 445 . 2 1 1 A 41 41 ALA N N 41 121.551 121.590 -0.039 1
1 446 . 2 1 1 A 42 42 GLU H H 42 7.823 8.223 -0.400 1
1 447 . 2 1 1 A 42 42 GLU HA H 42 4.377 4.211 0.166 1
1 450 . 2 1 1 A 42 42 GLU C C 42 177.669 177.317 0.352 1
1 451 . 2 1 1 A 42 42 GLU CA C 42 57.775 57.993 -0.218 1
1 452 . 2 1 1 A 42 42 GLU CB C 42 30.495 30.116 0.379 1
1 454 . 2 1 1 A 42 42 GLU N N 42 115.185 117.191 -2.006 1
1 455 . 2 1 1 A 43 43 ASN H H 43 7.817 7.885 -0.068 1
1 456 . 2 1 1 A 43 43 ASN HA H 43 4.845 4.842 0.003 1
1 461 . 2 1 1 A 43 43 ASN C C 43 174.634 175.278 -0.644 1
1 462 . 2 1 1 A 43 43 ASN CA C 43 54.343 54.077 0.266 1
1 463 . 2 1 1 A 43 43 ASN CB C 43 40.910 40.991 -0.081 1
1 464 . 2 1 1 A 43 43 ASN N N 43 115.082 116.003 -0.921 1
1 466 . 2 1 1 A 44 44 GLU H H 44 8.140 8.124 0.016 1
1 467 . 2 1 1 A 44 44 GLU HA H 44 4.572 4.788 -0.216 1
1 471 . 2 1 1 A 44 44 GLU C C 44 172.191 175.630 -3.439 1
1 472 . 2 1 1 A 44 44 GLU CA C 44 55.221 54.590 0.631 1
1 473 . 2 1 1 A 44 44 GLU CB C 44 32.235 34.168 -1.933 1
1 475 . 2 1 1 A 44 44 GLU N N 44 119.186 116.944 2.242 1
1 476 . 2 1 1 A 45 45 ASP H H 45 8.392 8.551 -0.159 1
1 477 . 2 1 1 A 45 45 ASP HA H 45 5.044 4.846 0.198 1
1 480 . 2 1 1 A 45 45 ASP CA C 45 53.829 54.416 -0.587 1
1 481 . 2 1 1 A 45 45 ASP CB C 45 41.271 41.232 0.039 1
1 482 . 2 1 1 A 45 45 ASP N N 45 121.008 121.284 -0.276 1
1 483 . 2 1 1 A 46 46 TYR H H 46 9.307 8.931 0.376 1
1 484 . 2 1 1 A 46 46 TYR HA H 46 4.508 4.664 -0.156 1
1 489 . 2 1 1 A 46 46 TYR C C 46 172.490 174.159 -1.669 1
1 490 . 2 1 1 A 46 46 TYR CA C 46 58.416 57.109 1.307 1
1 491 . 2 1 1 A 46 46 TYR CB C 46 39.842 38.632 1.210 1
1 494 . 2 1 1 A 46 46 TYR N N 46 124.739 126.012 -1.273 1
1 495 . 2 1 1 A 47 47 ILE H H 47 7.204 8.767 -1.563 1
1 496 . 2 1 1 A 47 47 ILE HA H 47 4.464 4.579 -0.115 1
1 506 . 2 1 1 A 47 47 ILE C C 47 174.754 174.762 -0.008 1
1 507 . 2 1 1 A 47 47 ILE CA C 47 58.308 59.343 -1.035 1
1 508 . 2 1 1 A 47 47 ILE CB C 47 37.997 40.492 -2.495 1
1 512 . 2 1 1 A 47 47 ILE N N 47 128.235 127.702 0.533 1
1 513 . 2 1 1 A 48 48 CYS H H 48 9.441 7.971 1.470 1
1 514 . 2 1 1 A 48 48 CYS HA H 48 4.132 4.427 -0.295 1
1 517 . 2 1 1 A 48 48 CYS C C 48 175.259 175.395 -0.136 1
1 518 . 2 1 1 A 48 48 CYS CA C 48 58.247 55.941 2.306 1
1 519 . 2 1 1 A 48 48 CYS CB C 48 32.230 29.536 2.694 1
1 520 . 2 1 1 A 48 48 CYS N N 48 131.299 122.401 8.898 1
1 521 . 2 1 1 A 49 49 ILE H H 49 7.753 8.661 -0.908 1
1 522 . 2 1 1 A 49 49 ILE HA H 49 3.968 3.855 0.113 1
1 532 . 2 1 1 A 49 49 ILE C C 49 177.248 177.584 -0.336 1
1 533 . 2 1 1 A 49 49 ILE CA C 49 63.078 64.259 -1.181 1
1 534 . 2 1 1 A 49 49 ILE CB C 49 38.535 37.674 0.861 1
1 538 . 2 1 1 A 49 49 ILE N N 49 113.316 121.304 -7.988 1
1 539 . 2 1 1 A 50 50 ASN H H 50 8.884 7.853 1.031 1
1 540 . 2 1 1 A 50 50 ASN HA H 50 4.729 4.556 0.173 1
1 545 . 2 1 1 A 50 50 ASN C C 50 176.793 177.922 -1.129 1
1 546 . 2 1 1 A 50 50 ASN CA C 50 55.405 55.996 -0.591 1
1 547 . 2 1 1 A 50 50 ASN CB C 50 39.719 38.443 1.276 1
1 548 . 2 1 1 A 50 50 ASN N N 50 121.756 119.744 2.012 1
1 550 . 2 1 1 A 51 51 CYS H H 51 8.179 7.849 0.330 1
1 551 . 2 1 1 A 51 51 CYS HA H 51 4.121 4.351 -0.230 1
1 554 . 2 1 1 A 51 51 CYS C C 51 174.880 176.186 -1.306 1
1 555 . 2 1 1 A 51 51 CYS CA C 51 61.889 63.236 -1.347 1
1 556 . 2 1 1 A 51 51 CYS CB C 51 31.444 27.624 3.820 1
1 557 . 2 1 1 A 51 51 CYS N N 51 123.907 118.514 5.393 1
1 1 . 3 1 1 A 2 2 VAL H H 2 8.398 7.711 0.687 1
1 2 . 3 1 1 A 2 2 VAL HA H 2 5.045 4.652 0.393 1
1 10 . 3 1 1 A 2 2 VAL C C 2 175.547 175.668 -0.121 1
1 11 . 3 1 1 A 2 2 VAL CA C 2 60.781 60.450 0.331 1
1 12 . 3 1 1 A 2 2 VAL CB C 2 34.251 35.072 -0.821 1
1 15 . 3 1 1 A 3 3 CYS H H 3 9.217 9.004 0.213 1
1 16 . 3 1 1 A 3 3 CYS HA H 3 5.017 5.018 -0.001 1
1 19 . 3 1 1 A 3 3 CYS C C 3 174.515 174.529 -0.014 1
1 20 . 3 1 1 A 3 3 CYS CA C 3 57.354 57.242 0.112 1
1 21 . 3 1 1 A 3 3 CYS CB C 3 31.812 29.098 2.714 1
1 22 . 3 1 1 A 3 3 CYS N N 3 128.514 125.419 3.095 1
1 23 . 3 1 1 A 4 4 ALA H H 4 7.577 8.346 -0.769 1
1 24 . 3 1 1 A 4 4 ALA HA H 4 4.294 4.675 -0.381 1
1 28 . 3 1 1 A 4 4 ALA C C 4 177.618 176.476 1.142 1
1 29 . 3 1 1 A 4 4 ALA CA C 4 52.672 51.042 1.630 1
1 30 . 3 1 1 A 4 4 ALA CB C 4 18.970 19.842 -0.872 1
1 31 . 3 1 1 A 4 4 ALA N N 4 121.274 123.086 -1.812 1
1 32 . 3 1 1 A 5 5 ALA H H 5 9.064 8.402 0.662 1
1 33 . 3 1 1 A 5 5 ALA HA H 5 4.553 4.920 -0.367 1
1 37 . 3 1 1 A 5 5 ALA C C 5 177.906 177.217 0.689 1
1 38 . 3 1 1 A 5 5 ALA CA C 5 53.048 51.691 1.357 1
1 39 . 3 1 1 A 5 5 ALA CB C 5 19.508 22.167 -2.659 1
1 40 . 3 1 1 A 5 5 ALA N N 5 125.546 125.137 0.409 1
1 41 . 3 1 1 A 6 6 GLN H H 6 9.013 8.604 0.409 1
1 42 . 3 1 1 A 6 6 GLN HA H 6 4.099 4.155 -0.056 1
1 48 . 3 1 1 A 6 6 GLN C C 6 176.725 176.212 0.513 1
1 49 . 3 1 1 A 6 6 GLN CA C 6 58.528 58.980 -0.452 1
1 50 . 3 1 1 A 6 6 GLN CB C 6 28.394 28.900 -0.506 1
1 52 . 3 1 1 A 6 6 GLN N N 6 123.087 120.980 2.107 1
1 54 . 3 1 1 A 7 7 ASN H H 7 8.406 7.979 0.427 1
1 55 . 3 1 1 A 7 7 ASN HA H 7 4.883 5.124 -0.241 1
1 59 . 3 1 1 A 7 7 ASN C C 7 173.875 173.339 0.536 1
1 60 . 3 1 1 A 7 7 ASN CA C 7 51.765 51.841 -0.076 1
1 61 . 3 1 1 A 7 7 ASN CB C 7 37.899 40.210 -2.311 1
1 62 . 3 1 1 A 7 7 ASN N N 7 115.683 116.296 -0.613 1
1 64 . 3 1 1 A 8 8 CYS H H 8 7.743 8.869 -1.126 1
1 65 . 3 1 1 A 8 8 CYS HA H 8 4.975 4.744 0.231 1
1 68 . 3 1 1 A 8 8 CYS C C 8 177.334 176.094 1.240 1
1 69 . 3 1 1 A 8 8 CYS CA C 8 59.497 57.453 2.044 1
1 70 . 3 1 1 A 8 8 CYS CB C 8 29.111 29.138 -0.027 1
1 71 . 3 1 1 A 8 8 CYS N N 8 122.794 126.453 -3.659 1
1 72 . 3 1 1 A 9 9 GLN H H 9 9.862 8.759 1.103 1
1 73 . 3 1 1 A 9 9 GLN HA H 9 4.190 4.110 0.080 1
1 80 . 3 1 1 A 9 9 GLN C C 9 175.014 175.126 -0.112 1
1 81 . 3 1 1 A 9 9 GLN CA C 9 56.768 56.050 0.718 1
1 82 . 3 1 1 A 9 9 GLN CB C 9 28.755 28.819 -0.064 1
1 84 . 3 1 1 A 9 9 GLN N N 9 133.013 127.360 5.653 1
1 86 . 3 1 1 A 10 10 ARG H H 10 10.074 7.434 2.640 1
1 87 . 3 1 1 A 10 10 ARG HA H 10 4.152 3.896 0.256 1
1 93 . 3 1 1 A 10 10 ARG CA C 10 55.345 56.600 -1.255 1
1 94 . 3 1 1 A 10 10 ARG CB C 10 27.843 27.946 -0.103 1
1 97 . 3 1 1 A 10 10 ARG N N 10 122.014 115.698 6.316 1
1 98 . 3 1 1 A 11 11 PRO HA H 11 4.278 4.294 -0.016 1
1 104 . 3 1 1 A 11 11 PRO C C 11 177.028 175.764 1.264 1
1 105 . 3 1 1 A 11 11 PRO CA C 11 62.703 63.035 -0.332 1
1 106 . 3 1 1 A 11 11 PRO CB C 11 31.618 31.810 -0.192 1
1 109 . 3 1 1 A 12 12 CYS H H 12 8.488 8.518 -0.030 1
1 110 . 3 1 1 A 12 12 CYS HA H 12 4.519 5.113 -0.594 1
1 113 . 3 1 1 A 12 12 CYS C C 12 174.690 174.142 0.548 1
1 114 . 3 1 1 A 12 12 CYS CA C 12 58.146 57.481 0.665 1
1 115 . 3 1 1 A 12 12 CYS CB C 12 28.174 28.577 -0.403 1
1 116 . 3 1 1 A 12 12 CYS N N 12 118.868 122.407 -3.539 1
1 117 . 3 1 1 A 13 13 LYS H H 13 7.827 8.465 -0.638 1
1 118 . 3 1 1 A 13 13 LYS HA H 13 4.231 4.805 -0.574 1
1 124 . 3 1 1 A 13 13 LYS C C 13 175.756 176.255 -0.499 1
1 125 . 3 1 1 A 13 13 LYS CA C 13 56.836 54.587 2.249 1
1 126 . 3 1 1 A 13 13 LYS CB C 13 33.502 35.738 -2.236 1
1 130 . 3 1 1 A 13 13 LYS N N 13 122.032 125.197 -3.165 1
1 131 . 3 1 1 A 14 14 ASP H H 14 8.348 8.521 -0.173 1
1 132 . 3 1 1 A 14 14 ASP HA H 14 4.429 4.650 -0.221 1
1 135 . 3 1 1 A 14 14 ASP C C 14 176.011 177.012 -1.001 1
1 136 . 3 1 1 A 14 14 ASP CA C 14 55.877 56.412 -0.535 1
1 137 . 3 1 1 A 14 14 ASP CB C 14 40.879 42.348 -1.469 1
1 138 . 3 1 1 A 14 14 ASP N N 14 119.433 121.622 -2.189 1
1 139 . 3 1 1 A 15 15 LYS H H 15 7.898 7.686 0.212 1
1 140 . 3 1 1 A 15 15 LYS HA H 15 4.448 4.426 0.022 1
1 146 . 3 1 1 A 15 15 LYS C C 15 175.094 175.649 -0.555 1
1 147 . 3 1 1 A 15 15 LYS CA C 15 55.647 55.740 -0.093 1
1 148 . 3 1 1 A 15 15 LYS CB C 15 32.563 31.527 1.036 1
1 151 . 3 1 1 A 15 15 LYS N N 15 119.751 117.919 1.832 1
1 152 . 3 1 1 A 16 16 VAL H H 16 7.977 7.883 0.094 1
1 153 . 3 1 1 A 16 16 VAL HA H 16 3.990 4.549 -0.559 1
1 161 . 3 1 1 A 16 16 VAL C C 16 173.871 174.172 -0.301 1
1 162 . 3 1 1 A 16 16 VAL CA C 16 61.261 60.659 0.602 1
1 163 . 3 1 1 A 16 16 VAL CB C 16 33.377 34.523 -1.146 1
1 166 . 3 1 1 A 16 16 VAL N N 16 122.186 123.052 -0.866 1
1 167 . 3 1 1 A 17 17 ASP H H 17 7.749 8.944 -1.195 1
1 168 . 3 1 1 A 17 17 ASP HA H 17 5.082 5.058 0.024 1
1 171 . 3 1 1 A 17 17 ASP C C 17 176.746 176.375 0.371 1
1 172 . 3 1 1 A 17 17 ASP CA C 17 54.120 54.932 -0.812 1
1 173 . 3 1 1 A 17 17 ASP CB C 17 42.721 41.306 1.415 1
1 174 . 3 1 1 A 17 17 ASP N N 17 122.699 128.368 -5.669 1
1 175 . 3 1 1 A 18 18 TRP H H 18 9.513 9.293 0.220 1
1 176 . 3 1 1 A 18 18 TRP HA H 18 5.604 5.479 0.125 1
1 185 . 3 1 1 A 18 18 TRP C C 18 176.365 175.032 1.333 1
1 186 . 3 1 1 A 18 18 TRP CA C 18 57.700 55.932 1.768 1
1 187 . 3 1 1 A 18 18 TRP CB C 18 34.107 32.384 1.723 1
1 193 . 3 1 1 A 18 18 TRP N N 18 123.857 122.474 1.383 1
1 195 . 3 1 1 A 19 19 VAL H H 19 10.238 9.078 1.160 1
1 196 . 3 1 1 A 19 19 VAL HA H 19 4.670 4.820 -0.150 1
1 204 . 3 1 1 A 19 19 VAL CA C 19 61.089 59.422 1.667 1
1 205 . 3 1 1 A 19 19 VAL CB C 19 35.518 34.724 0.794 1
1 208 . 3 1 1 A 19 19 VAL N N 19 121.049 116.213 4.836 1
1 209 . 3 1 1 A 20 20 GLN H H 20 8.584 8.804 -0.220 1
1 210 . 3 1 1 A 20 20 GLN HA H 20 4.635 5.328 -0.693 1
1 217 . 3 1 1 A 20 20 GLN C C 20 175.662 175.208 0.454 1
1 218 . 3 1 1 A 20 20 GLN CA C 20 53.063 53.782 -0.719 1
1 219 . 3 1 1 A 20 20 GLN CB C 20 29.098 31.046 -1.948 1
1 221 . 3 1 1 A 20 20 GLN N N 20 130.340 123.245 7.095 1
1 223 . 3 1 1 A 21 21 CYS H H 21 8.740 8.974 -0.234 1
1 224 . 3 1 1 A 21 21 CYS HA H 21 4.588 5.136 -0.548 1
1 227 . 3 1 1 A 21 21 CYS CA C 21 60.617 58.517 2.100 1
1 228 . 3 1 1 A 21 21 CYS CB C 21 31.913 27.817 4.096 1
1 229 . 3 1 1 A 21 21 CYS N N 21 126.319 124.063 2.256 1
1 230 . 3 1 1 A 22 22 ASP H H 22 9.742 8.719 1.023 1
1 231 . 3 1 1 A 22 22 ASP HA H 22 5.079 4.679 0.400 1
1 234 . 3 1 1 A 22 22 ASP C C 22 178.015 177.061 0.954 1
1 235 . 3 1 1 A 22 22 ASP CA C 22 55.185 54.737 0.448 1
1 236 . 3 1 1 A 22 22 ASP CB C 22 42.664 40.906 1.758 1
1 237 . 3 1 1 A 22 22 ASP N N 22 130.603 126.522 4.081 1
1 238 . 3 1 1 A 23 23 GLY H H 23 10.762 7.960 2.802 1
1 239 . 3 1 1 A 23 23 GLY HA2 H 23 4.156 3.912 0.244 1
1 240 . 3 1 1 A 23 23 GLY HA3 H 23 3.536 3.937 -0.401 1
1 241 . 3 1 1 A 23 23 GLY C C 23 173.898 174.516 -0.618 1
1 242 . 3 1 1 A 23 23 GLY CA C 23 45.351 45.267 0.084 1
1 243 . 3 1 1 A 23 23 GLY N N 23 116.158 108.127 8.031 1
1 244 . 3 1 1 A 24 24 GLY H H 24 8.904 7.773 1.131 1
1 245 . 3 1 1 A 24 24 GLY HA2 H 24 3.499 4.022 -0.523 1
1 246 . 3 1 1 A 24 24 GLY HA3 H 24 4.740 4.024 0.716 1
1 247 . 3 1 1 A 24 24 GLY C C 24 175.291 175.891 -0.600 1
1 248 . 3 1 1 A 24 24 GLY CA C 24 45.209 45.388 -0.179 1
1 249 . 3 1 1 A 24 24 GLY N N 24 109.769 107.079 2.690 1
1 250 . 3 1 1 A 25 25 CYS H H 25 7.639 8.239 -0.600 1
1 251 . 3 1 1 A 25 25 CYS HA H 25 4.465 4.548 -0.083 1
1 254 . 3 1 1 A 25 25 CYS C C 25 175.738 174.114 1.624 1
1 255 . 3 1 1 A 25 25 CYS CA C 25 60.097 59.990 0.107 1
1 256 . 3 1 1 A 25 25 CYS CB C 25 30.248 28.793 1.455 1
1 257 . 3 1 1 A 25 25 CYS N N 25 119.776 119.356 0.420 1
1 258 . 3 1 1 A 26 26 ASP H H 26 8.209 7.893 0.316 1
1 259 . 3 1 1 A 26 26 ASP HA H 26 4.283 4.188 0.095 1
1 261 . 3 1 1 A 26 26 ASP C C 26 175.280 174.893 0.387 1
1 262 . 3 1 1 A 26 26 ASP CA C 26 56.107 55.482 0.625 1
1 263 . 3 1 1 A 26 26 ASP CB C 26 39.958 39.599 0.359 1
1 264 . 3 1 1 A 26 26 ASP N N 26 117.501 117.778 -0.277 1
1 265 . 3 1 1 A 27 27 GLU H H 27 9.023 8.081 0.942 1
1 266 . 3 1 1 A 27 27 GLU HA H 27 4.372 4.656 -0.284 1
1 271 . 3 1 1 A 27 27 GLU C C 27 174.686 175.593 -0.907 1
1 272 . 3 1 1 A 27 27 GLU CA C 27 58.185 55.499 2.686 1
1 273 . 3 1 1 A 27 27 GLU CB C 27 30.552 30.901 -0.349 1
1 275 . 3 1 1 A 27 27 GLU N N 27 123.133 117.606 5.527 1
1 276 . 3 1 1 A 28 28 TRP H H 28 8.452 8.921 -0.469 1
1 277 . 3 1 1 A 28 28 TRP HA H 28 4.967 5.873 -0.906 1
1 286 . 3 1 1 A 28 28 TRP C C 28 175.501 175.634 -0.133 1
1 287 . 3 1 1 A 28 28 TRP CA C 28 57.211 55.406 1.805 1
1 288 . 3 1 1 A 28 28 TRP CB C 28 31.524 31.666 -0.142 1
1 294 . 3 1 1 A 28 28 TRP N N 28 118.126 120.567 -2.441 1
1 296 . 3 1 1 A 29 29 PHE H H 29 9.699 10.005 -0.306 1
1 297 . 3 1 1 A 29 29 PHE HA H 29 4.994 5.198 -0.204 1
1 303 . 3 1 1 A 29 29 PHE C C 29 176.176 175.253 0.923 1
1 304 . 3 1 1 A 29 29 PHE CA C 29 56.712 56.447 0.265 1
1 305 . 3 1 1 A 29 29 PHE CB C 29 43.056 42.712 0.344 1
1 309 . 3 1 1 A 29 29 PHE N N 29 119.283 122.555 -3.272 1
1 310 . 3 1 1 A 30 30 HIS H H 30 9.676 8.288 1.388 1
1 311 . 3 1 1 A 30 30 HIS HA H 30 4.400 4.506 -0.106 1
1 316 . 3 1 1 A 30 30 HIS C C 30 177.509 176.032 1.477 1
1 317 . 3 1 1 A 30 30 HIS CA C 30 56.723 54.970 1.753 1
1 318 . 3 1 1 A 30 30 HIS CB C 30 29.686 31.095 -1.409 1
1 320 . 3 1 1 A 30 30 HIS N N 30 124.436 119.041 5.395 1
1 321 . 3 1 1 A 31 31 GLN H H 31 8.537 8.907 -0.370 1
1 322 . 3 1 1 A 31 31 GLN HA H 31 3.486 3.755 -0.269 1
1 329 . 3 1 1 A 31 31 GLN C C 31 179.005 178.364 0.641 1
1 330 . 3 1 1 A 31 31 GLN CA C 31 60.606 59.332 1.274 1
1 331 . 3 1 1 A 31 31 GLN CB C 31 26.624 28.271 -1.647 1
1 333 . 3 1 1 A 31 31 GLN N N 31 124.297 122.845 1.452 1
1 335 . 3 1 1 A 32 32 VAL H H 32 8.688 8.054 0.634 1
1 336 . 3 1 1 A 32 32 VAL HA H 32 4.060 3.804 0.256 1
1 344 . 3 1 1 A 32 32 VAL C C 32 178.001 177.615 0.386 1
1 345 . 3 1 1 A 32 32 VAL CA C 32 64.333 64.564 -0.231 1
1 346 . 3 1 1 A 32 32 VAL CB C 32 31.703 31.311 0.392 1
1 349 . 3 1 1 A 32 32 VAL N N 32 113.575 119.226 -5.651 1
1 350 . 3 1 1 A 33 33 CYS H H 33 6.893 8.135 -1.242 1
1 351 . 3 1 1 A 33 33 CYS HA H 33 4.151 4.145 0.006 1
1 354 . 3 1 1 A 33 33 CYS C C 33 177.137 175.549 1.588 1
1 355 . 3 1 1 A 33 33 CYS CA C 33 62.650 61.416 1.234 1
1 356 . 3 1 1 A 33 33 CYS CB C 33 29.399 27.137 2.262 1
1 357 . 3 1 1 A 33 33 CYS N N 33 120.368 119.627 0.741 1
1 358 . 3 1 1 A 34 34 VAL H H 34 7.137 7.762 -0.625 1
1 359 . 3 1 1 A 34 34 VAL HA H 34 4.564 4.360 0.204 1
1 367 . 3 1 1 A 34 34 VAL C C 34 175.969 175.964 0.005 1
1 368 . 3 1 1 A 34 34 VAL CA C 34 60.138 62.391 -2.253 1
1 369 . 3 1 1 A 34 34 VAL CB C 34 31.887 31.904 -0.017 1
1 372 . 3 1 1 A 34 34 VAL N N 34 106.615 118.618 -12.003 1
1 373 . 3 1 1 A 35 35 GLY H H 35 7.506 7.859 -0.353 1
1 374 . 3 1 1 A 35 35 GLY HA2 H 35 3.864 3.942 -0.078 1
1 375 . 3 1 1 A 35 35 GLY HA3 H 35 3.940 3.954 -0.014 1
1 376 . 3 1 1 A 35 35 GLY C C 35 174.670 174.759 -0.089 1
1 377 . 3 1 1 A 35 35 GLY CA C 35 47.029 46.872 0.157 1
1 378 . 3 1 1 A 35 35 GLY N N 35 110.034 111.487 -1.453 1
1 379 . 3 1 1 A 36 36 VAL H H 36 7.621 8.688 -1.067 1
1 380 . 3 1 1 A 36 36 VAL HA H 36 4.300 4.319 -0.019 1
1 388 . 3 1 1 A 36 36 VAL C C 36 174.260 176.165 -1.905 1
1 389 . 3 1 1 A 36 36 VAL CA C 36 61.084 61.722 -0.638 1
1 390 . 3 1 1 A 36 36 VAL CB C 36 34.059 33.080 0.979 1
1 393 . 3 1 1 A 36 36 VAL N N 36 119.403 120.287 -0.884 1
1 394 . 3 1 1 A 37 37 SER H H 37 8.007 8.891 -0.884 1
1 395 . 3 1 1 A 37 37 SER HA H 37 4.861 5.039 -0.178 1
1 398 . 3 1 1 A 37 37 SER CA C 37 55.564 55.830 -0.266 1
1 399 . 3 1 1 A 37 37 SER CB C 37 63.789 64.031 -0.242 1
1 400 . 3 1 1 A 37 37 SER N N 37 122.814 119.602 3.212 1
1 401 . 3 1 1 A 38 38 PRO HA H 38 4.337 4.687 -0.350 1
1 407 . 3 1 1 A 38 38 PRO C C 38 179.162 178.577 0.585 1
1 408 . 3 1 1 A 38 38 PRO CA C 38 65.551 65.620 -0.069 1
1 409 . 3 1 1 A 38 38 PRO CB C 38 31.882 31.893 -0.011 1
1 412 . 3 1 1 A 39 39 GLU H H 39 8.520 8.464 0.056 1
1 413 . 3 1 1 A 39 39 GLU HA H 39 4.126 4.175 -0.049 1
1 418 . 3 1 1 A 39 39 GLU C C 39 178.588 178.998 -0.410 1
1 419 . 3 1 1 A 39 39 GLU CA C 39 59.321 59.502 -0.181 1
1 420 . 3 1 1 A 39 39 GLU CB C 39 29.016 28.969 0.047 1
1 422 . 3 1 1 A 39 39 GLU N N 39 116.621 117.216 -0.595 1
1 423 . 3 1 1 A 40 40 MET H H 40 7.707 7.990 -0.283 1
1 424 . 3 1 1 A 40 40 MET HA H 40 4.169 4.324 -0.155 1
1 431 . 3 1 1 A 40 40 MET C C 40 177.937 178.141 -0.204 1
1 432 . 3 1 1 A 40 40 MET CA C 40 58.076 57.821 0.255 1
1 433 . 3 1 1 A 40 40 MET CB C 40 33.752 32.416 1.336 1
1 436 . 3 1 1 A 40 40 MET N N 40 120.129 120.149 -0.020 1
1 437 . 3 1 1 A 41 41 ALA H H 41 8.214 7.909 0.305 1
1 438 . 3 1 1 A 41 41 ALA HA H 41 4.148 3.955 0.193 1
1 442 . 3 1 1 A 41 41 ALA C C 41 179.237 179.293 -0.056 1
1 443 . 3 1 1 A 41 41 ALA CA C 41 54.188 55.445 -1.257 1
1 444 . 3 1 1 A 41 41 ALA CB C 41 18.596 18.284 0.312 1
1 445 . 3 1 1 A 41 41 ALA N N 41 121.551 121.591 -0.040 1
1 446 . 3 1 1 A 42 42 GLU H H 42 7.823 7.826 -0.003 1
1 447 . 3 1 1 A 42 42 GLU HA H 42 4.377 4.240 0.137 1
1 450 . 3 1 1 A 42 42 GLU C C 42 177.669 177.815 -0.146 1
1 451 . 3 1 1 A 42 42 GLU CA C 42 57.775 58.476 -0.701 1
1 452 . 3 1 1 A 42 42 GLU CB C 42 30.495 30.099 0.396 1
1 454 . 3 1 1 A 42 42 GLU N N 42 115.185 118.259 -3.074 1
1 455 . 3 1 1 A 43 43 ASN H H 43 7.817 8.307 -0.490 1
1 456 . 3 1 1 A 43 43 ASN HA H 43 4.845 4.844 0.001 1
1 461 . 3 1 1 A 43 43 ASN C C 43 174.634 175.287 -0.653 1
1 462 . 3 1 1 A 43 43 ASN CA C 43 54.343 54.092 0.251 1
1 463 . 3 1 1 A 43 43 ASN CB C 43 40.910 40.700 0.210 1
1 464 . 3 1 1 A 43 43 ASN N N 43 115.082 116.321 -1.239 1
1 466 . 3 1 1 A 44 44 GLU H H 44 8.140 7.644 0.496 1
1 467 . 3 1 1 A 44 44 GLU HA H 44 4.572 4.751 -0.179 1
1 471 . 3 1 1 A 44 44 GLU C C 44 172.191 175.121 -2.930 1
1 472 . 3 1 1 A 44 44 GLU CA C 44 55.221 54.554 0.667 1
1 473 . 3 1 1 A 44 44 GLU CB C 44 32.235 33.174 -0.939 1
1 475 . 3 1 1 A 44 44 GLU N N 44 119.186 116.956 2.230 1
1 476 . 3 1 1 A 45 45 ASP H H 45 8.392 8.540 -0.148 1
1 477 . 3 1 1 A 45 45 ASP HA H 45 5.044 4.884 0.160 1
1 480 . 3 1 1 A 45 45 ASP CA C 45 53.829 54.149 -0.320 1
1 481 . 3 1 1 A 45 45 ASP CB C 45 41.271 41.515 -0.244 1
1 482 . 3 1 1 A 45 45 ASP N N 45 121.008 120.819 0.189 1
1 483 . 3 1 1 A 46 46 TYR H H 46 9.307 8.977 0.330 1
1 484 . 3 1 1 A 46 46 TYR HA H 46 4.508 4.650 -0.142 1
1 489 . 3 1 1 A 46 46 TYR C C 46 172.490 174.189 -1.699 1
1 490 . 3 1 1 A 46 46 TYR CA C 46 58.416 57.475 0.941 1
1 491 . 3 1 1 A 46 46 TYR CB C 46 39.842 38.465 1.377 1
1 494 . 3 1 1 A 46 46 TYR N N 46 124.739 126.226 -1.487 1
1 495 . 3 1 1 A 47 47 ILE H H 47 7.204 8.783 -1.579 1
1 496 . 3 1 1 A 47 47 ILE HA H 47 4.464 4.629 -0.165 1
1 506 . 3 1 1 A 47 47 ILE C C 47 174.754 174.579 0.175 1
1 507 . 3 1 1 A 47 47 ILE CA C 47 58.308 59.310 -1.002 1
1 508 . 3 1 1 A 47 47 ILE CB C 47 37.997 40.341 -2.344 1
1 512 . 3 1 1 A 47 47 ILE N N 47 128.235 127.554 0.681 1
1 513 . 3 1 1 A 48 48 CYS H H 48 9.441 8.034 1.407 1
1 514 . 3 1 1 A 48 48 CYS HA H 48 4.132 4.442 -0.310 1
1 517 . 3 1 1 A 48 48 CYS C C 48 175.259 175.381 -0.122 1
1 518 . 3 1 1 A 48 48 CYS CA C 48 58.247 55.994 2.253 1
1 519 . 3 1 1 A 48 48 CYS CB C 48 32.230 29.483 2.747 1
1 520 . 3 1 1 A 48 48 CYS N N 48 131.299 122.642 8.657 1
1 521 . 3 1 1 A 49 49 ILE H H 49 7.753 8.683 -0.930 1
1 522 . 3 1 1 A 49 49 ILE HA H 49 3.968 3.859 0.109 1
1 532 . 3 1 1 A 49 49 ILE C C 49 177.248 177.601 -0.353 1
1 533 . 3 1 1 A 49 49 ILE CA C 49 63.078 64.227 -1.149 1
1 534 . 3 1 1 A 49 49 ILE CB C 49 38.535 37.712 0.823 1
1 538 . 3 1 1 A 49 49 ILE N N 49 113.316 121.256 -7.940 1
1 539 . 3 1 1 A 50 50 ASN H H 50 8.884 7.901 0.983 1
1 540 . 3 1 1 A 50 50 ASN HA H 50 4.729 4.592 0.137 1
1 545 . 3 1 1 A 50 50 ASN C C 50 176.793 177.786 -0.993 1
1 546 . 3 1 1 A 50 50 ASN CA C 50 55.405 55.879 -0.474 1
1 547 . 3 1 1 A 50 50 ASN CB C 50 39.719 38.441 1.278 1
1 548 . 3 1 1 A 50 50 ASN N N 50 121.756 119.712 2.044 1
1 550 . 3 1 1 A 51 51 CYS H H 51 8.179 7.824 0.355 1
1 551 . 3 1 1 A 51 51 CYS HA H 51 4.121 4.369 -0.248 1
1 554 . 3 1 1 A 51 51 CYS C C 51 174.880 176.049 -1.169 1
1 555 . 3 1 1 A 51 51 CYS CA C 51 61.889 63.315 -1.426 1
1 556 . 3 1 1 A 51 51 CYS CB C 51 31.444 27.819 3.625 1
1 557 . 3 1 1 A 51 51 CYS N N 51 123.907 118.559 5.348 1
1 1 . 4 1 1 A 2 2 VAL H H 2 8.398 7.672 0.726 1
1 2 . 4 1 1 A 2 2 VAL HA H 2 5.045 4.739 0.306 1
1 10 . 4 1 1 A 2 2 VAL C C 2 175.547 175.785 -0.238 1
1 11 . 4 1 1 A 2 2 VAL CA C 2 60.781 60.236 0.545 1
1 12 . 4 1 1 A 2 2 VAL CB C 2 34.251 35.589 -1.338 1
1 15 . 4 1 1 A 3 3 CYS H H 3 9.217 9.013 0.204 1
1 16 . 4 1 1 A 3 3 CYS HA H 3 5.017 4.949 0.068 1
1 19 . 4 1 1 A 3 3 CYS C C 3 174.515 174.553 -0.038 1
1 20 . 4 1 1 A 3 3 CYS CA C 3 57.354 57.426 -0.072 1
1 21 . 4 1 1 A 3 3 CYS CB C 3 31.812 29.046 2.766 1
1 22 . 4 1 1 A 3 3 CYS N N 3 128.514 125.709 2.805 1
1 23 . 4 1 1 A 4 4 ALA H H 4 7.577 8.316 -0.739 1
1 24 . 4 1 1 A 4 4 ALA HA H 4 4.294 4.767 -0.473 1
1 28 . 4 1 1 A 4 4 ALA C C 4 177.618 176.340 1.278 1
1 29 . 4 1 1 A 4 4 ALA CA C 4 52.672 50.709 1.963 1
1 30 . 4 1 1 A 4 4 ALA CB C 4 18.970 20.052 -1.082 1
1 31 . 4 1 1 A 4 4 ALA N N 4 121.274 123.294 -2.020 1
1 32 . 4 1 1 A 5 5 ALA H H 5 9.064 8.319 0.745 1
1 33 . 4 1 1 A 5 5 ALA HA H 5 4.553 4.925 -0.372 1
1 37 . 4 1 1 A 5 5 ALA C C 5 177.906 177.345 0.561 1
1 38 . 4 1 1 A 5 5 ALA CA C 5 53.048 51.855 1.193 1
1 39 . 4 1 1 A 5 5 ALA CB C 5 19.508 22.222 -2.714 1
1 40 . 4 1 1 A 5 5 ALA N N 5 125.546 125.198 0.348 1
1 41 . 4 1 1 A 6 6 GLN H H 6 9.013 8.633 0.380 1
1 42 . 4 1 1 A 6 6 GLN HA H 6 4.099 4.157 -0.058 1
1 48 . 4 1 1 A 6 6 GLN C C 6 176.725 176.255 0.470 1
1 49 . 4 1 1 A 6 6 GLN CA C 6 58.528 59.087 -0.559 1
1 50 . 4 1 1 A 6 6 GLN CB C 6 28.394 28.898 -0.504 1
1 52 . 4 1 1 A 6 6 GLN N N 6 123.087 121.215 1.872 1
1 54 . 4 1 1 A 7 7 ASN H H 7 8.406 8.276 0.130 1
1 55 . 4 1 1 A 7 7 ASN HA H 7 4.883 5.062 -0.179 1
1 59 . 4 1 1 A 7 7 ASN C C 7 173.875 173.365 0.510 1
1 60 . 4 1 1 A 7 7 ASN CA C 7 51.765 52.435 -0.670 1
1 61 . 4 1 1 A 7 7 ASN CB C 7 37.899 39.703 -1.804 1
1 62 . 4 1 1 A 7 7 ASN N N 7 115.683 117.955 -2.272 1
1 64 . 4 1 1 A 8 8 CYS H H 8 7.743 8.853 -1.110 1
1 65 . 4 1 1 A 8 8 CYS HA H 8 4.975 4.716 0.259 1
1 68 . 4 1 1 A 8 8 CYS C C 8 177.334 176.173 1.161 1
1 69 . 4 1 1 A 8 8 CYS CA C 8 59.497 57.355 2.142 1
1 70 . 4 1 1 A 8 8 CYS CB C 8 29.111 29.163 -0.052 1
1 71 . 4 1 1 A 8 8 CYS N N 8 122.794 124.512 -1.718 1
1 72 . 4 1 1 A 9 9 GLN H H 9 9.862 8.834 1.028 1
1 73 . 4 1 1 A 9 9 GLN HA H 9 4.190 4.132 0.058 1
1 80 . 4 1 1 A 9 9 GLN C C 9 175.014 175.015 -0.001 1
1 81 . 4 1 1 A 9 9 GLN CA C 9 56.768 55.728 1.040 1
1 82 . 4 1 1 A 9 9 GLN CB C 9 28.755 28.868 -0.113 1
1 84 . 4 1 1 A 9 9 GLN N N 9 133.013 127.052 5.961 1
1 86 . 4 1 1 A 10 10 ARG H H 10 10.074 7.422 2.652 1
1 87 . 4 1 1 A 10 10 ARG HA H 10 4.152 3.889 0.263 1
1 93 . 4 1 1 A 10 10 ARG CA C 10 55.345 56.584 -1.239 1
1 94 . 4 1 1 A 10 10 ARG CB C 10 27.843 27.742 0.101 1
1 97 . 4 1 1 A 10 10 ARG N N 10 122.014 115.741 6.273 1
1 98 . 4 1 1 A 11 11 PRO HA H 11 4.278 4.505 -0.227 1
1 104 . 4 1 1 A 11 11 PRO C C 11 177.028 175.544 1.484 1
1 105 . 4 1 1 A 11 11 PRO CA C 11 62.703 62.627 0.076 1
1 106 . 4 1 1 A 11 11 PRO CB C 11 31.618 32.153 -0.535 1
1 109 . 4 1 1 A 12 12 CYS H H 12 8.488 8.576 -0.088 1
1 110 . 4 1 1 A 12 12 CYS HA H 12 4.519 5.191 -0.672 1
1 113 . 4 1 1 A 12 12 CYS C C 12 174.690 173.626 1.064 1
1 114 . 4 1 1 A 12 12 CYS CA C 12 58.146 57.746 0.400 1
1 115 . 4 1 1 A 12 12 CYS CB C 12 28.174 30.247 -2.073 1
1 116 . 4 1 1 A 12 12 CYS N N 12 118.868 121.328 -2.460 1
1 117 . 4 1 1 A 13 13 LYS H H 13 7.827 8.661 -0.834 1
1 118 . 4 1 1 A 13 13 LYS HA H 13 4.231 4.888 -0.657 1
1 124 . 4 1 1 A 13 13 LYS C C 13 175.756 176.289 -0.533 1
1 125 . 4 1 1 A 13 13 LYS CA C 13 56.836 54.822 2.014 1
1 126 . 4 1 1 A 13 13 LYS CB C 13 33.502 36.843 -3.341 1
1 130 . 4 1 1 A 13 13 LYS N N 13 122.032 126.833 -4.801 1
1 131 . 4 1 1 A 14 14 ASP H H 14 8.348 8.687 -0.339 1
1 132 . 4 1 1 A 14 14 ASP HA H 14 4.429 4.650 -0.221 1
1 135 . 4 1 1 A 14 14 ASP C C 14 176.011 175.883 0.128 1
1 136 . 4 1 1 A 14 14 ASP CA C 14 55.877 55.372 0.505 1
1 137 . 4 1 1 A 14 14 ASP CB C 14 40.879 41.303 -0.424 1
1 138 . 4 1 1 A 14 14 ASP N N 14 119.433 120.954 -1.521 1
1 139 . 4 1 1 A 15 15 LYS H H 15 7.898 7.902 -0.004 1
1 140 . 4 1 1 A 15 15 LYS HA H 15 4.448 4.711 -0.263 1
1 146 . 4 1 1 A 15 15 LYS C C 15 175.094 175.443 -0.349 1
1 147 . 4 1 1 A 15 15 LYS CA C 15 55.647 55.266 0.381 1
1 148 . 4 1 1 A 15 15 LYS CB C 15 32.563 33.640 -1.077 1
1 151 . 4 1 1 A 15 15 LYS N N 15 119.751 119.346 0.405 1
1 152 . 4 1 1 A 16 16 VAL H H 16 7.977 8.468 -0.491 1
1 153 . 4 1 1 A 16 16 VAL HA H 16 3.990 4.470 -0.480 1
1 161 . 4 1 1 A 16 16 VAL C C 16 173.871 174.232 -0.361 1
1 162 . 4 1 1 A 16 16 VAL CA C 16 61.261 61.370 -0.109 1
1 163 . 4 1 1 A 16 16 VAL CB C 16 33.377 33.467 -0.090 1
1 166 . 4 1 1 A 16 16 VAL N N 16 122.186 123.310 -1.124 1
1 167 . 4 1 1 A 17 17 ASP H H 17 7.749 8.944 -1.195 1
1 168 . 4 1 1 A 17 17 ASP HA H 17 5.082 4.765 0.317 1
1 171 . 4 1 1 A 17 17 ASP C C 17 176.746 176.522 0.224 1
1 172 . 4 1 1 A 17 17 ASP CA C 17 54.120 54.988 -0.868 1
1 173 . 4 1 1 A 17 17 ASP CB C 17 42.721 41.251 1.470 1
1 174 . 4 1 1 A 17 17 ASP N N 17 122.699 129.149 -6.450 1
1 175 . 4 1 1 A 18 18 TRP H H 18 9.513 9.332 0.181 1
1 176 . 4 1 1 A 18 18 TRP HA H 18 5.604 5.477 0.127 1
1 185 . 4 1 1 A 18 18 TRP C C 18 176.365 175.070 1.295 1
1 186 . 4 1 1 A 18 18 TRP CA C 18 57.700 55.875 1.825 1
1 187 . 4 1 1 A 18 18 TRP CB C 18 34.107 32.325 1.782 1
1 193 . 4 1 1 A 18 18 TRP N N 18 123.857 122.717 1.140 1
1 195 . 4 1 1 A 19 19 VAL H H 19 10.238 9.038 1.200 1
1 196 . 4 1 1 A 19 19 VAL HA H 19 4.670 4.845 -0.175 1
1 204 . 4 1 1 A 19 19 VAL CA C 19 61.089 59.552 1.537 1
1 205 . 4 1 1 A 19 19 VAL CB C 19 35.518 34.811 0.707 1
1 208 . 4 1 1 A 19 19 VAL N N 19 121.049 116.206 4.843 1
1 209 . 4 1 1 A 20 20 GLN H H 20 8.584 8.815 -0.231 1
1 210 . 4 1 1 A 20 20 GLN HA H 20 4.635 5.169 -0.534 1
1 217 . 4 1 1 A 20 20 GLN C C 20 175.662 175.247 0.415 1
1 218 . 4 1 1 A 20 20 GLN CA C 20 53.063 53.811 -0.748 1
1 219 . 4 1 1 A 20 20 GLN CB C 20 29.098 30.056 -0.958 1
1 221 . 4 1 1 A 20 20 GLN N N 20 130.340 123.678 6.662 1
1 223 . 4 1 1 A 21 21 CYS H H 21 8.740 8.972 -0.232 1
1 224 . 4 1 1 A 21 21 CYS HA H 21 4.588 5.182 -0.594 1
1 227 . 4 1 1 A 21 21 CYS CA C 21 60.617 58.507 2.110 1
1 228 . 4 1 1 A 21 21 CYS CB C 21 31.913 28.284 3.629 1
1 229 . 4 1 1 A 21 21 CYS N N 21 126.319 123.987 2.332 1
1 230 . 4 1 1 A 22 22 ASP H H 22 9.742 8.393 1.349 1
1 231 . 4 1 1 A 22 22 ASP HA H 22 5.079 4.626 0.453 1
1 234 . 4 1 1 A 22 22 ASP C C 22 178.015 176.876 1.139 1
1 235 . 4 1 1 A 22 22 ASP CA C 22 55.185 54.832 0.353 1
1 236 . 4 1 1 A 22 22 ASP CB C 22 42.664 40.693 1.971 1
1 237 . 4 1 1 A 22 22 ASP N N 22 130.603 126.222 4.381 1
1 238 . 4 1 1 A 23 23 GLY H H 23 10.762 7.988 2.774 1
1 239 . 4 1 1 A 23 23 GLY HA2 H 23 4.156 3.888 0.268 1
1 240 . 4 1 1 A 23 23 GLY HA3 H 23 3.536 3.907 -0.371 1
1 241 . 4 1 1 A 23 23 GLY C C 23 173.898 174.422 -0.524 1
1 242 . 4 1 1 A 23 23 GLY CA C 23 45.351 45.412 -0.061 1
1 243 . 4 1 1 A 23 23 GLY N N 23 116.158 107.935 8.223 1
1 244 . 4 1 1 A 24 24 GLY H H 24 8.904 7.353 1.551 1
1 245 . 4 1 1 A 24 24 GLY HA2 H 24 3.499 4.017 -0.518 1
1 246 . 4 1 1 A 24 24 GLY HA3 H 24 4.740 4.018 0.722 1
1 247 . 4 1 1 A 24 24 GLY C C 24 175.291 175.804 -0.513 1
1 248 . 4 1 1 A 24 24 GLY CA C 24 45.209 45.394 -0.185 1
1 249 . 4 1 1 A 24 24 GLY N N 24 109.769 106.829 2.940 1
1 250 . 4 1 1 A 25 25 CYS H H 25 7.639 8.164 -0.525 1
1 251 . 4 1 1 A 25 25 CYS HA H 25 4.465 4.546 -0.081 1
1 254 . 4 1 1 A 25 25 CYS C C 25 175.738 174.272 1.466 1
1 255 . 4 1 1 A 25 25 CYS CA C 25 60.097 60.405 -0.308 1
1 256 . 4 1 1 A 25 25 CYS CB C 25 30.248 28.732 1.516 1
1 257 . 4 1 1 A 25 25 CYS N N 25 119.776 119.794 -0.018 1
1 258 . 4 1 1 A 26 26 ASP H H 26 8.209 7.692 0.517 1
1 259 . 4 1 1 A 26 26 ASP HA H 26 4.283 4.213 0.070 1
1 261 . 4 1 1 A 26 26 ASP C C 26 175.280 174.994 0.286 1
1 262 . 4 1 1 A 26 26 ASP CA C 26 56.107 55.477 0.630 1
1 263 . 4 1 1 A 26 26 ASP CB C 26 39.958 39.826 0.132 1
1 264 . 4 1 1 A 26 26 ASP N N 26 117.501 117.796 -0.295 1
1 265 . 4 1 1 A 27 27 GLU H H 27 9.023 8.090 0.933 1
1 266 . 4 1 1 A 27 27 GLU HA H 27 4.372 4.573 -0.201 1
1 271 . 4 1 1 A 27 27 GLU C C 27 174.686 175.536 -0.850 1
1 272 . 4 1 1 A 27 27 GLU CA C 27 58.185 55.679 2.506 1
1 273 . 4 1 1 A 27 27 GLU CB C 27 30.552 30.976 -0.424 1
1 275 . 4 1 1 A 27 27 GLU N N 27 123.133 117.704 5.429 1
1 276 . 4 1 1 A 28 28 TRP H H 28 8.452 8.956 -0.504 1
1 277 . 4 1 1 A 28 28 TRP HA H 28 4.967 5.819 -0.852 1
1 286 . 4 1 1 A 28 28 TRP C C 28 175.501 175.799 -0.298 1
1 287 . 4 1 1 A 28 28 TRP CA C 28 57.211 55.256 1.955 1
1 288 . 4 1 1 A 28 28 TRP CB C 28 31.524 31.878 -0.354 1
1 294 . 4 1 1 A 28 28 TRP N N 28 118.126 120.727 -2.601 1
1 296 . 4 1 1 A 29 29 PHE H H 29 9.699 9.962 -0.263 1
1 297 . 4 1 1 A 29 29 PHE HA H 29 4.994 5.160 -0.166 1
1 303 . 4 1 1 A 29 29 PHE C C 29 176.176 175.230 0.946 1
1 304 . 4 1 1 A 29 29 PHE CA C 29 56.712 56.398 0.314 1
1 305 . 4 1 1 A 29 29 PHE CB C 29 43.056 42.663 0.393 1
1 309 . 4 1 1 A 29 29 PHE N N 29 119.283 122.147 -2.864 1
1 310 . 4 1 1 A 30 30 HIS H H 30 9.676 8.280 1.396 1
1 311 . 4 1 1 A 30 30 HIS HA H 30 4.400 4.469 -0.069 1
1 316 . 4 1 1 A 30 30 HIS C C 30 177.509 176.049 1.460 1
1 317 . 4 1 1 A 30 30 HIS CA C 30 56.723 55.008 1.715 1
1 318 . 4 1 1 A 30 30 HIS CB C 30 29.686 31.085 -1.399 1
1 320 . 4 1 1 A 30 30 HIS N N 30 124.436 119.017 5.419 1
1 321 . 4 1 1 A 31 31 GLN H H 31 8.537 9.002 -0.465 1
1 322 . 4 1 1 A 31 31 GLN HA H 31 3.486 3.828 -0.342 1
1 329 . 4 1 1 A 31 31 GLN C C 31 179.005 178.393 0.612 1
1 330 . 4 1 1 A 31 31 GLN CA C 31 60.606 59.324 1.282 1
1 331 . 4 1 1 A 31 31 GLN CB C 31 26.624 28.356 -1.732 1
1 333 . 4 1 1 A 31 31 GLN N N 31 124.297 122.927 1.370 1
1 335 . 4 1 1 A 32 32 VAL H H 32 8.688 8.073 0.615 1
1 336 . 4 1 1 A 32 32 VAL HA H 32 4.060 3.812 0.248 1
1 344 . 4 1 1 A 32 32 VAL C C 32 178.001 177.547 0.454 1
1 345 . 4 1 1 A 32 32 VAL CA C 32 64.333 64.604 -0.271 1
1 346 . 4 1 1 A 32 32 VAL CB C 32 31.703 31.424 0.279 1
1 349 . 4 1 1 A 32 32 VAL N N 32 113.575 119.226 -5.651 1
1 350 . 4 1 1 A 33 33 CYS H H 33 6.893 8.244 -1.351 1
1 351 . 4 1 1 A 33 33 CYS HA H 33 4.151 4.162 -0.011 1
1 354 . 4 1 1 A 33 33 CYS C C 33 177.137 175.603 1.534 1
1 355 . 4 1 1 A 33 33 CYS CA C 33 62.650 61.603 1.047 1
1 356 . 4 1 1 A 33 33 CYS CB C 33 29.399 27.196 2.203 1
1 357 . 4 1 1 A 33 33 CYS N N 33 120.368 119.488 0.880 1
1 358 . 4 1 1 A 34 34 VAL H H 34 7.137 7.689 -0.552 1
1 359 . 4 1 1 A 34 34 VAL HA H 34 4.564 4.352 0.212 1
1 367 . 4 1 1 A 34 34 VAL C C 34 175.969 175.992 -0.023 1
1 368 . 4 1 1 A 34 34 VAL CA C 34 60.138 62.545 -2.407 1
1 369 . 4 1 1 A 34 34 VAL CB C 34 31.887 31.978 -0.091 1
1 372 . 4 1 1 A 34 34 VAL N N 34 106.615 118.883 -12.268 1
1 373 . 4 1 1 A 35 35 GLY H H 35 7.506 7.856 -0.350 1
1 374 . 4 1 1 A 35 35 GLY HA2 H 35 3.864 3.934 -0.070 1
1 375 . 4 1 1 A 35 35 GLY HA3 H 35 3.940 3.945 -0.005 1
1 376 . 4 1 1 A 35 35 GLY C C 35 174.670 174.508 0.162 1
1 377 . 4 1 1 A 35 35 GLY CA C 35 47.029 46.948 0.081 1
1 378 . 4 1 1 A 35 35 GLY N N 35 110.034 111.647 -1.613 1
1 379 . 4 1 1 A 36 36 VAL H H 36 7.621 8.371 -0.750 1
1 380 . 4 1 1 A 36 36 VAL HA H 36 4.300 4.637 -0.337 1
1 388 . 4 1 1 A 36 36 VAL C C 36 174.260 175.047 -0.787 1
1 389 . 4 1 1 A 36 36 VAL CA C 36 61.084 60.523 0.561 1
1 390 . 4 1 1 A 36 36 VAL CB C 36 34.059 34.487 -0.428 1
1 393 . 4 1 1 A 36 36 VAL N N 36 119.403 119.851 -0.448 1
1 394 . 4 1 1 A 37 37 SER H H 37 8.007 8.826 -0.819 1
1 395 . 4 1 1 A 37 37 SER HA H 37 4.861 5.039 -0.178 1
1 398 . 4 1 1 A 37 37 SER CA C 37 55.564 55.981 -0.417 1
1 399 . 4 1 1 A 37 37 SER CB C 37 63.789 63.840 -0.051 1
1 400 . 4 1 1 A 37 37 SER N N 37 122.814 119.387 3.427 1
1 401 . 4 1 1 A 38 38 PRO HA H 38 4.337 4.704 -0.367 1
1 407 . 4 1 1 A 38 38 PRO C C 38 179.162 178.616 0.546 1
1 408 . 4 1 1 A 38 38 PRO CA C 38 65.551 65.528 0.023 1
1 409 . 4 1 1 A 38 38 PRO CB C 38 31.882 31.882 0.000 1
1 412 . 4 1 1 A 39 39 GLU H H 39 8.520 8.502 0.018 1
1 413 . 4 1 1 A 39 39 GLU HA H 39 4.126 4.103 0.023 1
1 418 . 4 1 1 A 39 39 GLU C C 39 178.588 179.001 -0.413 1
1 419 . 4 1 1 A 39 39 GLU CA C 39 59.321 59.225 0.096 1
1 420 . 4 1 1 A 39 39 GLU CB C 39 29.016 29.014 0.002 1
1 422 . 4 1 1 A 39 39 GLU N N 39 116.621 117.101 -0.480 1
1 423 . 4 1 1 A 40 40 MET H H 40 7.707 7.993 -0.286 1
1 424 . 4 1 1 A 40 40 MET HA H 40 4.169 4.330 -0.161 1
1 431 . 4 1 1 A 40 40 MET C C 40 177.937 177.965 -0.028 1
1 432 . 4 1 1 A 40 40 MET CA C 40 58.076 57.793 0.283 1
1 433 . 4 1 1 A 40 40 MET CB C 40 33.752 32.417 1.335 1
1 436 . 4 1 1 A 40 40 MET N N 40 120.129 120.098 0.031 1
1 437 . 4 1 1 A 41 41 ALA H H 41 8.214 7.954 0.260 1
1 438 . 4 1 1 A 41 41 ALA HA H 41 4.148 3.964 0.184 1
1 442 . 4 1 1 A 41 41 ALA C C 41 179.237 179.149 0.088 1
1 443 . 4 1 1 A 41 41 ALA CA C 41 54.188 55.514 -1.326 1
1 444 . 4 1 1 A 41 41 ALA CB C 41 18.596 18.621 -0.025 1
1 445 . 4 1 1 A 41 41 ALA N N 41 121.551 121.666 -0.115 1
1 446 . 4 1 1 A 42 42 GLU H H 42 7.823 7.991 -0.168 1
1 447 . 4 1 1 A 42 42 GLU HA H 42 4.377 4.361 0.016 1
1 450 . 4 1 1 A 42 42 GLU C C 42 177.669 177.881 -0.212 1
1 451 . 4 1 1 A 42 42 GLU CA C 42 57.775 57.857 -0.082 1
1 452 . 4 1 1 A 42 42 GLU CB C 42 30.495 30.375 0.120 1
1 454 . 4 1 1 A 42 42 GLU N N 42 115.185 116.755 -1.570 1
1 455 . 4 1 1 A 43 43 ASN H H 43 7.817 7.916 -0.099 1
1 456 . 4 1 1 A 43 43 ASN HA H 43 4.845 4.818 0.027 1
1 461 . 4 1 1 A 43 43 ASN C C 43 174.634 175.209 -0.575 1
1 462 . 4 1 1 A 43 43 ASN CA C 43 54.343 54.051 0.292 1
1 463 . 4 1 1 A 43 43 ASN CB C 43 40.910 40.083 0.827 1
1 464 . 4 1 1 A 43 43 ASN N N 43 115.082 115.990 -0.908 1
1 466 . 4 1 1 A 44 44 GLU H H 44 8.140 7.601 0.539 1
1 467 . 4 1 1 A 44 44 GLU HA H 44 4.572 4.808 -0.236 1
1 471 . 4 1 1 A 44 44 GLU C C 44 172.191 173.906 -1.715 1
1 472 . 4 1 1 A 44 44 GLU CA C 44 55.221 54.697 0.524 1
1 473 . 4 1 1 A 44 44 GLU CB C 44 32.235 33.748 -1.513 1
1 475 . 4 1 1 A 44 44 GLU N N 44 119.186 116.989 2.197 1
1 476 . 4 1 1 A 45 45 ASP H H 45 8.392 8.686 -0.294 1
1 477 . 4 1 1 A 45 45 ASP HA H 45 5.044 4.922 0.122 1
1 480 . 4 1 1 A 45 45 ASP CA C 45 53.829 52.915 0.914 1
1 481 . 4 1 1 A 45 45 ASP CB C 45 41.271 42.399 -1.128 1
1 482 . 4 1 1 A 45 45 ASP N N 45 121.008 121.859 -0.851 1
1 483 . 4 1 1 A 46 46 TYR H H 46 9.307 8.958 0.349 1
1 484 . 4 1 1 A 46 46 TYR HA H 46 4.508 4.652 -0.144 1
1 489 . 4 1 1 A 46 46 TYR C C 46 172.490 174.160 -1.670 1
1 490 . 4 1 1 A 46 46 TYR CA C 46 58.416 56.930 1.486 1
1 491 . 4 1 1 A 46 46 TYR CB C 46 39.842 38.674 1.168 1
1 494 . 4 1 1 A 46 46 TYR N N 46 124.739 127.808 -3.069 1
1 495 . 4 1 1 A 47 47 ILE H H 47 7.204 8.764 -1.560 1
1 496 . 4 1 1 A 47 47 ILE HA H 47 4.464 4.512 -0.048 1
1 506 . 4 1 1 A 47 47 ILE C C 47 174.754 174.663 0.091 1
1 507 . 4 1 1 A 47 47 ILE CA C 47 58.308 59.537 -1.229 1
1 508 . 4 1 1 A 47 47 ILE CB C 47 37.997 40.140 -2.143 1
1 512 . 4 1 1 A 47 47 ILE N N 47 128.235 127.962 0.273 1
1 513 . 4 1 1 A 48 48 CYS H H 48 9.441 7.962 1.479 1
1 514 . 4 1 1 A 48 48 CYS HA H 48 4.132 4.396 -0.264 1
1 517 . 4 1 1 A 48 48 CYS C C 48 175.259 175.341 -0.082 1
1 518 . 4 1 1 A 48 48 CYS CA C 48 58.247 55.963 2.284 1
1 519 . 4 1 1 A 48 48 CYS CB C 48 32.230 29.651 2.579 1
1 520 . 4 1 1 A 48 48 CYS N N 48 131.299 122.818 8.481 1
1 521 . 4 1 1 A 49 49 ILE H H 49 7.753 8.666 -0.913 1
1 522 . 4 1 1 A 49 49 ILE HA H 49 3.968 3.832 0.136 1
1 532 . 4 1 1 A 49 49 ILE C C 49 177.248 177.581 -0.333 1
1 533 . 4 1 1 A 49 49 ILE CA C 49 63.078 64.152 -1.074 1
1 534 . 4 1 1 A 49 49 ILE CB C 49 38.535 37.636 0.899 1
1 538 . 4 1 1 A 49 49 ILE N N 49 113.316 121.295 -7.979 1
1 539 . 4 1 1 A 50 50 ASN H H 50 8.884 7.697 1.187 1
1 540 . 4 1 1 A 50 50 ASN HA H 50 4.729 4.560 0.169 1
1 545 . 4 1 1 A 50 50 ASN C C 50 176.793 177.939 -1.146 1
1 546 . 4 1 1 A 50 50 ASN CA C 50 55.405 55.963 -0.558 1
1 547 . 4 1 1 A 50 50 ASN CB C 50 39.719 38.337 1.382 1
1 548 . 4 1 1 A 50 50 ASN N N 50 121.756 119.720 2.036 1
1 550 . 4 1 1 A 51 51 CYS H H 51 8.179 7.979 0.200 1
1 551 . 4 1 1 A 51 51 CYS HA H 51 4.121 4.217 -0.096 1
1 554 . 4 1 1 A 51 51 CYS C C 51 174.880 176.234 -1.354 1
1 555 . 4 1 1 A 51 51 CYS CA C 51 61.889 63.195 -1.306 1
1 556 . 4 1 1 A 51 51 CYS CB C 51 31.444 26.956 4.488 1
1 557 . 4 1 1 A 51 51 CYS N N 51 123.907 118.272 5.635 1
1 1 . 5 1 1 A 2 2 VAL H H 2 8.398 8.543 -0.145 1
1 2 . 5 1 1 A 2 2 VAL HA H 2 5.045 4.755 0.290 1
1 10 . 5 1 1 A 2 2 VAL C C 2 175.547 175.764 -0.217 1
1 11 . 5 1 1 A 2 2 VAL CA C 2 60.781 60.660 0.121 1
1 12 . 5 1 1 A 2 2 VAL CB C 2 34.251 34.953 -0.702 1
1 15 . 5 1 1 A 3 3 CYS H H 3 9.217 8.994 0.223 1
1 16 . 5 1 1 A 3 3 CYS HA H 3 5.017 4.855 0.162 1
1 19 . 5 1 1 A 3 3 CYS C C 3 174.515 174.512 0.003 1
1 20 . 5 1 1 A 3 3 CYS CA C 3 57.354 57.553 -0.199 1
1 21 . 5 1 1 A 3 3 CYS CB C 3 31.812 28.950 2.862 1
1 22 . 5 1 1 A 3 3 CYS N N 3 128.514 125.386 3.128 1
1 23 . 5 1 1 A 4 4 ALA H H 4 7.577 8.404 -0.827 1
1 24 . 5 1 1 A 4 4 ALA HA H 4 4.294 4.803 -0.509 1
1 28 . 5 1 1 A 4 4 ALA C C 4 177.618 176.392 1.226 1
1 29 . 5 1 1 A 4 4 ALA CA C 4 52.672 50.654 2.018 1
1 30 . 5 1 1 A 4 4 ALA CB C 4 18.970 20.119 -1.149 1
1 31 . 5 1 1 A 4 4 ALA N N 4 121.274 123.327 -2.053 1
1 32 . 5 1 1 A 5 5 ALA H H 5 9.064 8.337 0.727 1
1 33 . 5 1 1 A 5 5 ALA HA H 5 4.553 4.919 -0.366 1
1 37 . 5 1 1 A 5 5 ALA C C 5 177.906 177.344 0.562 1
1 38 . 5 1 1 A 5 5 ALA CA C 5 53.048 51.696 1.352 1
1 39 . 5 1 1 A 5 5 ALA CB C 5 19.508 22.178 -2.670 1
1 40 . 5 1 1 A 5 5 ALA N N 5 125.546 124.220 1.326 1
1 41 . 5 1 1 A 6 6 GLN H H 6 9.013 8.949 0.064 1
1 42 . 5 1 1 A 6 6 GLN HA H 6 4.099 4.054 0.045 1
1 48 . 5 1 1 A 6 6 GLN C C 6 176.725 175.396 1.329 1
1 49 . 5 1 1 A 6 6 GLN CA C 6 58.528 58.924 -0.396 1
1 50 . 5 1 1 A 6 6 GLN CB C 6 28.394 28.779 -0.385 1
1 52 . 5 1 1 A 6 6 GLN N N 6 123.087 120.329 2.758 1
1 54 . 5 1 1 A 7 7 ASN H H 7 8.406 7.973 0.433 1
1 55 . 5 1 1 A 7 7 ASN HA H 7 4.883 5.128 -0.245 1
1 59 . 5 1 1 A 7 7 ASN C C 7 173.875 173.190 0.685 1
1 60 . 5 1 1 A 7 7 ASN CA C 7 51.765 52.835 -1.070 1
1 61 . 5 1 1 A 7 7 ASN CB C 7 37.899 40.881 -2.982 1
1 62 . 5 1 1 A 7 7 ASN N N 7 115.683 116.260 -0.577 1
1 64 . 5 1 1 A 8 8 CYS H H 8 7.743 8.823 -1.080 1
1 65 . 5 1 1 A 8 8 CYS HA H 8 4.975 4.916 0.059 1
1 68 . 5 1 1 A 8 8 CYS C C 8 177.334 176.075 1.259 1
1 69 . 5 1 1 A 8 8 CYS CA C 8 59.497 57.184 2.313 1
1 70 . 5 1 1 A 8 8 CYS CB C 8 29.111 30.278 -1.167 1
1 71 . 5 1 1 A 8 8 CYS N N 8 122.794 126.393 -3.599 1
1 72 . 5 1 1 A 9 9 GLN H H 9 9.862 8.843 1.019 1
1 73 . 5 1 1 A 9 9 GLN HA H 9 4.190 4.161 0.029 1
1 80 . 5 1 1 A 9 9 GLN C C 9 175.014 175.003 0.011 1
1 81 . 5 1 1 A 9 9 GLN CA C 9 56.768 55.771 0.997 1
1 82 . 5 1 1 A 9 9 GLN CB C 9 28.755 28.857 -0.102 1
1 84 . 5 1 1 A 9 9 GLN N N 9 133.013 126.954 6.059 1
1 86 . 5 1 1 A 10 10 ARG H H 10 10.074 7.434 2.640 1
1 87 . 5 1 1 A 10 10 ARG HA H 10 4.152 3.920 0.232 1
1 93 . 5 1 1 A 10 10 ARG CA C 10 55.345 56.340 -0.995 1
1 94 . 5 1 1 A 10 10 ARG CB C 10 27.843 28.129 -0.286 1
1 97 . 5 1 1 A 10 10 ARG N N 10 122.014 115.704 6.310 1
1 98 . 5 1 1 A 11 11 PRO HA H 11 4.278 4.643 -0.365 1
1 104 . 5 1 1 A 11 11 PRO C C 11 177.028 175.509 1.519 1
1 105 . 5 1 1 A 11 11 PRO CA C 11 62.703 62.088 0.615 1
1 106 . 5 1 1 A 11 11 PRO CB C 11 31.618 32.124 -0.506 1
1 109 . 5 1 1 A 12 12 CYS H H 12 8.488 8.608 -0.120 1
1 110 . 5 1 1 A 12 12 CYS HA H 12 4.519 5.097 -0.578 1
1 113 . 5 1 1 A 12 12 CYS C C 12 174.690 173.405 1.285 1
1 114 . 5 1 1 A 12 12 CYS CA C 12 58.146 57.889 0.257 1
1 115 . 5 1 1 A 12 12 CYS CB C 12 28.174 29.973 -1.799 1
1 116 . 5 1 1 A 12 12 CYS N N 12 118.868 121.379 -2.511 1
1 117 . 5 1 1 A 13 13 LYS H H 13 7.827 8.870 -1.043 1
1 118 . 5 1 1 A 13 13 LYS HA H 13 4.231 4.909 -0.678 1
1 124 . 5 1 1 A 13 13 LYS C C 13 175.756 176.534 -0.778 1
1 125 . 5 1 1 A 13 13 LYS CA C 13 56.836 54.732 2.104 1
1 126 . 5 1 1 A 13 13 LYS CB C 13 33.502 36.444 -2.942 1
1 130 . 5 1 1 A 13 13 LYS N N 13 122.032 126.915 -4.883 1
1 131 . 5 1 1 A 14 14 ASP H H 14 8.348 8.566 -0.218 1
1 132 . 5 1 1 A 14 14 ASP HA H 14 4.429 4.697 -0.268 1
1 135 . 5 1 1 A 14 14 ASP C C 14 176.011 176.840 -0.829 1
1 136 . 5 1 1 A 14 14 ASP CA C 14 55.877 55.138 0.739 1
1 137 . 5 1 1 A 14 14 ASP CB C 14 40.879 40.694 0.185 1
1 138 . 5 1 1 A 14 14 ASP N N 14 119.433 122.538 -3.105 1
1 139 . 5 1 1 A 15 15 LYS H H 15 7.898 7.797 0.101 1
1 140 . 5 1 1 A 15 15 LYS HA H 15 4.448 4.541 -0.093 1
1 146 . 5 1 1 A 15 15 LYS C C 15 175.094 176.208 -1.114 1
1 147 . 5 1 1 A 15 15 LYS CA C 15 55.647 55.525 0.122 1
1 148 . 5 1 1 A 15 15 LYS CB C 15 32.563 33.813 -1.250 1
1 151 . 5 1 1 A 15 15 LYS N N 15 119.751 117.017 2.734 1
1 152 . 5 1 1 A 16 16 VAL H H 16 7.977 7.557 0.420 1
1 153 . 5 1 1 A 16 16 VAL HA H 16 3.990 4.536 -0.546 1
1 161 . 5 1 1 A 16 16 VAL C C 16 173.871 174.726 -0.855 1
1 162 . 5 1 1 A 16 16 VAL CA C 16 61.261 61.193 0.068 1
1 163 . 5 1 1 A 16 16 VAL CB C 16 33.377 33.169 0.208 1
1 166 . 5 1 1 A 16 16 VAL N N 16 122.186 121.692 0.494 1
1 167 . 5 1 1 A 17 17 ASP H H 17 7.749 9.066 -1.317 1
1 168 . 5 1 1 A 17 17 ASP HA H 17 5.082 5.042 0.040 1
1 171 . 5 1 1 A 17 17 ASP C C 17 176.746 175.730 1.016 1
1 172 . 5 1 1 A 17 17 ASP CA C 17 54.120 54.267 -0.147 1
1 173 . 5 1 1 A 17 17 ASP CB C 17 42.721 42.134 0.587 1
1 174 . 5 1 1 A 17 17 ASP N N 17 122.699 130.439 -7.740 1
1 175 . 5 1 1 A 18 18 TRP H H 18 9.513 9.234 0.279 1
1 176 . 5 1 1 A 18 18 TRP HA H 18 5.604 5.492 0.112 1
1 185 . 5 1 1 A 18 18 TRP C C 18 176.365 174.988 1.377 1
1 186 . 5 1 1 A 18 18 TRP CA C 18 57.700 56.060 1.640 1
1 187 . 5 1 1 A 18 18 TRP CB C 18 34.107 33.231 0.876 1
1 193 . 5 1 1 A 18 18 TRP N N 18 123.857 124.485 -0.628 1
1 195 . 5 1 1 A 19 19 VAL H H 19 10.238 8.876 1.362 1
1 196 . 5 1 1 A 19 19 VAL HA H 19 4.670 4.863 -0.193 1
1 204 . 5 1 1 A 19 19 VAL CA C 19 61.089 59.325 1.764 1
1 205 . 5 1 1 A 19 19 VAL CB C 19 35.518 34.837 0.681 1
1 208 . 5 1 1 A 19 19 VAL N N 19 121.049 116.230 4.819 1
1 209 . 5 1 1 A 20 20 GLN H H 20 8.584 8.754 -0.170 1
1 210 . 5 1 1 A 20 20 GLN HA H 20 4.635 5.309 -0.674 1
1 217 . 5 1 1 A 20 20 GLN C C 20 175.662 175.142 0.520 1
1 218 . 5 1 1 A 20 20 GLN CA C 20 53.063 53.773 -0.710 1
1 219 . 5 1 1 A 20 20 GLN CB C 20 29.098 31.149 -2.051 1
1 221 . 5 1 1 A 20 20 GLN N N 20 130.340 122.864 7.476 1
1 223 . 5 1 1 A 21 21 CYS H H 21 8.740 8.833 -0.093 1
1 224 . 5 1 1 A 21 21 CYS HA H 21 4.588 5.207 -0.619 1
1 227 . 5 1 1 A 21 21 CYS CA C 21 60.617 58.493 2.124 1
1 228 . 5 1 1 A 21 21 CYS CB C 21 31.913 28.412 3.501 1
1 229 . 5 1 1 A 21 21 CYS N N 21 126.319 123.745 2.574 1
1 230 . 5 1 1 A 22 22 ASP H H 22 9.742 8.702 1.040 1
1 231 . 5 1 1 A 22 22 ASP HA H 22 5.079 4.764 0.315 1
1 234 . 5 1 1 A 22 22 ASP C C 22 178.015 177.088 0.927 1
1 235 . 5 1 1 A 22 22 ASP CA C 22 55.185 54.350 0.835 1
1 236 . 5 1 1 A 22 22 ASP CB C 22 42.664 41.345 1.319 1
1 237 . 5 1 1 A 22 22 ASP N N 22 130.603 126.281 4.322 1
1 238 . 5 1 1 A 23 23 GLY H H 23 10.762 7.980 2.782 1
1 239 . 5 1 1 A 23 23 GLY HA2 H 23 4.156 3.938 0.218 1
1 240 . 5 1 1 A 23 23 GLY HA3 H 23 3.536 3.957 -0.421 1
1 241 . 5 1 1 A 23 23 GLY C C 23 173.898 174.508 -0.610 1
1 242 . 5 1 1 A 23 23 GLY CA C 23 45.351 45.328 0.023 1
1 243 . 5 1 1 A 23 23 GLY N N 23 116.158 107.794 8.364 1
1 244 . 5 1 1 A 24 24 GLY H H 24 8.904 7.833 1.071 1
1 245 . 5 1 1 A 24 24 GLY HA2 H 24 3.499 4.008 -0.509 1
1 246 . 5 1 1 A 24 24 GLY HA3 H 24 4.740 4.009 0.731 1
1 247 . 5 1 1 A 24 24 GLY C C 24 175.291 175.955 -0.664 1
1 248 . 5 1 1 A 24 24 GLY CA C 24 45.209 45.392 -0.183 1
1 249 . 5 1 1 A 24 24 GLY N N 24 109.769 107.127 2.642 1
1 250 . 5 1 1 A 25 25 CYS H H 25 7.639 8.225 -0.586 1
1 251 . 5 1 1 A 25 25 CYS HA H 25 4.465 4.494 -0.029 1
1 254 . 5 1 1 A 25 25 CYS C C 25 175.738 174.208 1.530 1
1 255 . 5 1 1 A 25 25 CYS CA C 25 60.097 61.615 -1.518 1
1 256 . 5 1 1 A 25 25 CYS CB C 25 30.248 28.701 1.547 1
1 257 . 5 1 1 A 25 25 CYS N N 25 119.776 119.713 0.063 1
1 258 . 5 1 1 A 26 26 ASP H H 26 8.209 7.800 0.409 1
1 259 . 5 1 1 A 26 26 ASP HA H 26 4.283 4.315 -0.032 1
1 261 . 5 1 1 A 26 26 ASP C C 26 175.280 174.898 0.382 1
1 262 . 5 1 1 A 26 26 ASP CA C 26 56.107 55.486 0.621 1
1 263 . 5 1 1 A 26 26 ASP CB C 26 39.958 39.524 0.434 1
1 264 . 5 1 1 A 26 26 ASP N N 26 117.501 117.534 -0.033 1
1 265 . 5 1 1 A 27 27 GLU H H 27 9.023 8.052 0.971 1
1 266 . 5 1 1 A 27 27 GLU HA H 27 4.372 4.642 -0.270 1
1 271 . 5 1 1 A 27 27 GLU C C 27 174.686 175.537 -0.851 1
1 272 . 5 1 1 A 27 27 GLU CA C 27 58.185 55.574 2.611 1
1 273 . 5 1 1 A 27 27 GLU CB C 27 30.552 30.939 -0.387 1
1 275 . 5 1 1 A 27 27 GLU N N 27 123.133 117.554 5.579 1
1 276 . 5 1 1 A 28 28 TRP H H 28 8.452 8.907 -0.455 1
1 277 . 5 1 1 A 28 28 TRP HA H 28 4.967 5.792 -0.825 1
1 286 . 5 1 1 A 28 28 TRP C C 28 175.501 175.706 -0.205 1
1 287 . 5 1 1 A 28 28 TRP CA C 28 57.211 54.949 2.262 1
1 288 . 5 1 1 A 28 28 TRP CB C 28 31.524 32.108 -0.584 1
1 294 . 5 1 1 A 28 28 TRP N N 28 118.126 120.064 -1.938 1
1 296 . 5 1 1 A 29 29 PHE H H 29 9.699 9.910 -0.211 1
1 297 . 5 1 1 A 29 29 PHE HA H 29 4.994 5.218 -0.224 1
1 303 . 5 1 1 A 29 29 PHE C C 29 176.176 175.140 1.036 1
1 304 . 5 1 1 A 29 29 PHE CA C 29 56.712 56.455 0.257 1
1 305 . 5 1 1 A 29 29 PHE CB C 29 43.056 42.953 0.103 1
1 309 . 5 1 1 A 29 29 PHE N N 29 119.283 122.204 -2.921 1
1 310 . 5 1 1 A 30 30 HIS H H 30 9.676 8.284 1.392 1
1 311 . 5 1 1 A 30 30 HIS HA H 30 4.400 4.514 -0.114 1
1 316 . 5 1 1 A 30 30 HIS C C 30 177.509 175.992 1.517 1
1 317 . 5 1 1 A 30 30 HIS CA C 30 56.723 54.763 1.960 1
1 318 . 5 1 1 A 30 30 HIS CB C 30 29.686 31.118 -1.432 1
1 320 . 5 1 1 A 30 30 HIS N N 30 124.436 119.049 5.387 1
1 321 . 5 1 1 A 31 31 GLN H H 31 8.537 8.885 -0.348 1
1 322 . 5 1 1 A 31 31 GLN HA H 31 3.486 3.765 -0.279 1
1 329 . 5 1 1 A 31 31 GLN C C 31 179.005 178.239 0.766 1
1 330 . 5 1 1 A 31 31 GLN CA C 31 60.606 59.506 1.100 1
1 331 . 5 1 1 A 31 31 GLN CB C 31 26.624 28.181 -1.557 1
1 333 . 5 1 1 A 31 31 GLN N N 31 124.297 122.857 1.440 1
1 335 . 5 1 1 A 32 32 VAL H H 32 8.688 8.107 0.581 1
1 336 . 5 1 1 A 32 32 VAL HA H 32 4.060 3.814 0.246 1
1 344 . 5 1 1 A 32 32 VAL C C 32 178.001 177.646 0.355 1
1 345 . 5 1 1 A 32 32 VAL CA C 32 64.333 64.427 -0.094 1
1 346 . 5 1 1 A 32 32 VAL CB C 32 31.703 31.456 0.247 1
1 349 . 5 1 1 A 32 32 VAL N N 32 113.575 119.068 -5.493 1
1 350 . 5 1 1 A 33 33 CYS H H 33 6.893 8.225 -1.332 1
1 351 . 5 1 1 A 33 33 CYS HA H 33 4.151 4.191 -0.040 1
1 354 . 5 1 1 A 33 33 CYS C C 33 177.137 175.523 1.614 1
1 355 . 5 1 1 A 33 33 CYS CA C 33 62.650 61.456 1.194 1
1 356 . 5 1 1 A 33 33 CYS CB C 33 29.399 27.077 2.322 1
1 357 . 5 1 1 A 33 33 CYS N N 33 120.368 119.216 1.152 1
1 358 . 5 1 1 A 34 34 VAL H H 34 7.137 7.733 -0.596 1
1 359 . 5 1 1 A 34 34 VAL HA H 34 4.564 4.360 0.204 1
1 367 . 5 1 1 A 34 34 VAL C C 34 175.969 175.986 -0.017 1
1 368 . 5 1 1 A 34 34 VAL CA C 34 60.138 62.261 -2.123 1
1 369 . 5 1 1 A 34 34 VAL CB C 34 31.887 31.771 0.116 1
1 372 . 5 1 1 A 34 34 VAL N N 34 106.615 118.702 -12.087 1
1 373 . 5 1 1 A 35 35 GLY H H 35 7.506 7.641 -0.135 1
1 374 . 5 1 1 A 35 35 GLY HA2 H 35 3.864 3.933 -0.069 1
1 375 . 5 1 1 A 35 35 GLY HA3 H 35 3.940 3.943 -0.003 1
1 376 . 5 1 1 A 35 35 GLY C C 35 174.670 174.498 0.172 1
1 377 . 5 1 1 A 35 35 GLY CA C 35 47.029 46.994 0.035 1
1 378 . 5 1 1 A 35 35 GLY N N 35 110.034 111.554 -1.520 1
1 379 . 5 1 1 A 36 36 VAL H H 36 7.621 8.415 -0.794 1
1 380 . 5 1 1 A 36 36 VAL HA H 36 4.300 4.625 -0.325 1
1 388 . 5 1 1 A 36 36 VAL C C 36 174.260 175.277 -1.017 1
1 389 . 5 1 1 A 36 36 VAL CA C 36 61.084 60.606 0.478 1
1 390 . 5 1 1 A 36 36 VAL CB C 36 34.059 34.317 -0.258 1
1 393 . 5 1 1 A 36 36 VAL N N 36 119.403 119.991 -0.588 1
1 394 . 5 1 1 A 37 37 SER H H 37 8.007 8.823 -0.816 1
1 395 . 5 1 1 A 37 37 SER HA H 37 4.861 5.047 -0.186 1
1 398 . 5 1 1 A 37 37 SER CA C 37 55.564 56.016 -0.452 1
1 399 . 5 1 1 A 37 37 SER CB C 37 63.789 64.028 -0.239 1
1 400 . 5 1 1 A 37 37 SER N N 37 122.814 119.763 3.051 1
1 401 . 5 1 1 A 38 38 PRO HA H 38 4.337 4.530 -0.193 1
1 407 . 5 1 1 A 38 38 PRO C C 38 179.162 178.690 0.472 1
1 408 . 5 1 1 A 38 38 PRO CA C 38 65.551 65.499 0.052 1
1 409 . 5 1 1 A 38 38 PRO CB C 38 31.882 31.886 -0.004 1
1 412 . 5 1 1 A 39 39 GLU H H 39 8.520 8.497 0.023 1
1 413 . 5 1 1 A 39 39 GLU HA H 39 4.126 4.085 0.041 1
1 418 . 5 1 1 A 39 39 GLU C C 39 178.588 179.046 -0.458 1
1 419 . 5 1 1 A 39 39 GLU CA C 39 59.321 59.266 0.055 1
1 420 . 5 1 1 A 39 39 GLU CB C 39 29.016 29.016 0.000 1
1 422 . 5 1 1 A 39 39 GLU N N 39 116.621 117.832 -1.211 1
1 423 . 5 1 1 A 40 40 MET H H 40 7.707 7.866 -0.159 1
1 424 . 5 1 1 A 40 40 MET HA H 40 4.169 4.346 -0.177 1
1 431 . 5 1 1 A 40 40 MET C C 40 177.937 177.941 -0.004 1
1 432 . 5 1 1 A 40 40 MET CA C 40 58.076 57.501 0.575 1
1 433 . 5 1 1 A 40 40 MET CB C 40 33.752 33.263 0.489 1
1 436 . 5 1 1 A 40 40 MET N N 40 120.129 120.172 -0.043 1
1 437 . 5 1 1 A 41 41 ALA H H 41 8.214 7.931 0.283 1
1 438 . 5 1 1 A 41 41 ALA HA H 41 4.148 3.972 0.176 1
1 442 . 5 1 1 A 41 41 ALA C C 41 179.237 179.212 0.025 1
1 443 . 5 1 1 A 41 41 ALA CA C 41 54.188 55.525 -1.337 1
1 444 . 5 1 1 A 41 41 ALA CB C 41 18.596 18.603 -0.007 1
1 445 . 5 1 1 A 41 41 ALA N N 41 121.551 121.420 0.131 1
1 446 . 5 1 1 A 42 42 GLU H H 42 7.823 7.776 0.047 1
1 447 . 5 1 1 A 42 42 GLU HA H 42 4.377 4.178 0.199 1
1 450 . 5 1 1 A 42 42 GLU C C 42 177.669 177.403 0.266 1
1 451 . 5 1 1 A 42 42 GLU CA C 42 57.775 57.864 -0.089 1
1 452 . 5 1 1 A 42 42 GLU CB C 42 30.495 30.084 0.411 1
1 454 . 5 1 1 A 42 42 GLU N N 42 115.185 117.502 -2.317 1
1 455 . 5 1 1 A 43 43 ASN H H 43 7.817 7.529 0.288 1
1 456 . 5 1 1 A 43 43 ASN HA H 43 4.845 4.847 -0.002 1
1 461 . 5 1 1 A 43 43 ASN C C 43 174.634 175.107 -0.473 1
1 462 . 5 1 1 A 43 43 ASN CA C 43 54.343 54.047 0.296 1
1 463 . 5 1 1 A 43 43 ASN CB C 43 40.910 41.476 -0.566 1
1 464 . 5 1 1 A 43 43 ASN N N 43 115.082 115.812 -0.730 1
1 466 . 5 1 1 A 44 44 GLU H H 44 8.140 8.194 -0.054 1
1 467 . 5 1 1 A 44 44 GLU HA H 44 4.572 4.833 -0.261 1
1 471 . 5 1 1 A 44 44 GLU C C 44 172.191 174.491 -2.300 1
1 472 . 5 1 1 A 44 44 GLU CA C 44 55.221 54.730 0.491 1
1 473 . 5 1 1 A 44 44 GLU CB C 44 32.235 33.988 -1.753 1
1 475 . 5 1 1 A 44 44 GLU N N 44 119.186 116.994 2.192 1
1 476 . 5 1 1 A 45 45 ASP H H 45 8.392 8.595 -0.203 1
1 477 . 5 1 1 A 45 45 ASP HA H 45 5.044 4.748 0.296 1
1 480 . 5 1 1 A 45 45 ASP CA C 45 53.829 53.598 0.231 1
1 481 . 5 1 1 A 45 45 ASP CB C 45 41.271 41.218 0.053 1
1 482 . 5 1 1 A 45 45 ASP N N 45 121.008 122.120 -1.112 1
1 483 . 5 1 1 A 46 46 TYR H H 46 9.307 8.955 0.352 1
1 484 . 5 1 1 A 46 46 TYR HA H 46 4.508 4.654 -0.146 1
1 489 . 5 1 1 A 46 46 TYR C C 46 172.490 174.029 -1.539 1
1 490 . 5 1 1 A 46 46 TYR CA C 46 58.416 57.231 1.185 1
1 491 . 5 1 1 A 46 46 TYR CB C 46 39.842 38.684 1.158 1
1 494 . 5 1 1 A 46 46 TYR N N 46 124.739 127.890 -3.151 1
1 495 . 5 1 1 A 47 47 ILE H H 47 7.204 8.677 -1.473 1
1 496 . 5 1 1 A 47 47 ILE HA H 47 4.464 4.601 -0.137 1
1 506 . 5 1 1 A 47 47 ILE C C 47 174.754 175.119 -0.365 1
1 507 . 5 1 1 A 47 47 ILE CA C 47 58.308 59.176 -0.868 1
1 508 . 5 1 1 A 47 47 ILE CB C 47 37.997 40.749 -2.752 1
1 512 . 5 1 1 A 47 47 ILE N N 47 128.235 127.676 0.559 1
1 513 . 5 1 1 A 48 48 CYS H H 48 9.441 8.220 1.221 1
1 514 . 5 1 1 A 48 48 CYS HA H 48 4.132 4.431 -0.299 1
1 517 . 5 1 1 A 48 48 CYS C C 48 175.259 175.420 -0.161 1
1 518 . 5 1 1 A 48 48 CYS CA C 48 58.247 56.573 1.674 1
1 519 . 5 1 1 A 48 48 CYS CB C 48 32.230 28.947 3.283 1
1 520 . 5 1 1 A 48 48 CYS N N 48 131.299 123.161 8.138 1
1 521 . 5 1 1 A 49 49 ILE H H 49 7.753 8.613 -0.860 1
1 522 . 5 1 1 A 49 49 ILE HA H 49 3.968 3.843 0.125 1
1 532 . 5 1 1 A 49 49 ILE C C 49 177.248 177.597 -0.349 1
1 533 . 5 1 1 A 49 49 ILE CA C 49 63.078 64.201 -1.123 1
1 534 . 5 1 1 A 49 49 ILE CB C 49 38.535 37.732 0.803 1
1 538 . 5 1 1 A 49 49 ILE N N 49 113.316 121.582 -8.266 1
1 539 . 5 1 1 A 50 50 ASN H H 50 8.884 7.823 1.061 1
1 540 . 5 1 1 A 50 50 ASN HA H 50 4.729 4.588 0.141 1
1 545 . 5 1 1 A 50 50 ASN C C 50 176.793 177.760 -0.967 1
1 546 . 5 1 1 A 50 50 ASN CA C 50 55.405 55.872 -0.467 1
1 547 . 5 1 1 A 50 50 ASN CB C 50 39.719 38.357 1.362 1
1 548 . 5 1 1 A 50 50 ASN N N 50 121.756 119.770 1.986 1
1 550 . 5 1 1 A 51 51 CYS H H 51 8.179 7.797 0.382 1
1 551 . 5 1 1 A 51 51 CYS HA H 51 4.121 4.383 -0.262 1
1 554 . 5 1 1 A 51 51 CYS C C 51 174.880 175.325 -0.445 1
1 555 . 5 1 1 A 51 51 CYS CA C 51 61.889 62.713 -0.824 1
1 556 . 5 1 1 A 51 51 CYS CB C 51 31.444 27.819 3.625 1
1 557 . 5 1 1 A 51 51 CYS N N 51 123.907 118.416 5.491 1
1 1 . 6 1 1 A 2 2 VAL H H 2 8.398 8.076 0.322 1
1 2 . 6 1 1 A 2 2 VAL HA H 2 5.045 4.307 0.738 1
1 10 . 6 1 1 A 2 2 VAL C C 2 175.547 175.584 -0.037 1
1 11 . 6 1 1 A 2 2 VAL CA C 2 60.781 61.932 -1.151 1
1 12 . 6 1 1 A 2 2 VAL CB C 2 34.251 32.907 1.344 1
1 15 . 6 1 1 A 3 3 CYS H H 3 9.217 9.223 -0.006 1
1 16 . 6 1 1 A 3 3 CYS HA H 3 5.017 4.848 0.169 1
1 19 . 6 1 1 A 3 3 CYS C C 3 174.515 174.470 0.045 1
1 20 . 6 1 1 A 3 3 CYS CA C 3 57.354 57.684 -0.330 1
1 21 . 6 1 1 A 3 3 CYS CB C 3 31.812 29.320 2.492 1
1 22 . 6 1 1 A 3 3 CYS N N 3 128.514 126.491 2.023 1
1 23 . 6 1 1 A 4 4 ALA H H 4 7.577 8.133 -0.556 1
1 24 . 6 1 1 A 4 4 ALA HA H 4 4.294 4.909 -0.615 1
1 28 . 6 1 1 A 4 4 ALA C C 4 177.618 176.388 1.230 1
1 29 . 6 1 1 A 4 4 ALA CA C 4 52.672 50.455 2.217 1
1 30 . 6 1 1 A 4 4 ALA CB C 4 18.970 20.341 -1.371 1
1 31 . 6 1 1 A 4 4 ALA N N 4 121.274 123.677 -2.403 1
1 32 . 6 1 1 A 5 5 ALA H H 5 9.064 8.308 0.756 1
1 33 . 6 1 1 A 5 5 ALA HA H 5 4.553 4.952 -0.399 1
1 37 . 6 1 1 A 5 5 ALA C C 5 177.906 177.211 0.695 1
1 38 . 6 1 1 A 5 5 ALA CA C 5 53.048 51.652 1.396 1
1 39 . 6 1 1 A 5 5 ALA CB C 5 19.508 22.259 -2.751 1
1 40 . 6 1 1 A 5 5 ALA N N 5 125.546 124.230 1.316 1
1 41 . 6 1 1 A 6 6 GLN H H 6 9.013 8.596 0.417 1
1 42 . 6 1 1 A 6 6 GLN HA H 6 4.099 4.157 -0.058 1
1 48 . 6 1 1 A 6 6 GLN C C 6 176.725 176.230 0.495 1
1 49 . 6 1 1 A 6 6 GLN CA C 6 58.528 58.982 -0.454 1
1 50 . 6 1 1 A 6 6 GLN CB C 6 28.394 28.876 -0.482 1
1 52 . 6 1 1 A 6 6 GLN N N 6 123.087 120.846 2.241 1
1 54 . 6 1 1 A 7 7 ASN H H 7 8.406 7.973 0.433 1
1 55 . 6 1 1 A 7 7 ASN HA H 7 4.883 5.076 -0.193 1
1 59 . 6 1 1 A 7 7 ASN C C 7 173.875 173.286 0.589 1
1 60 . 6 1 1 A 7 7 ASN CA C 7 51.765 52.718 -0.953 1
1 61 . 6 1 1 A 7 7 ASN CB C 7 37.899 40.369 -2.470 1
1 62 . 6 1 1 A 7 7 ASN N N 7 115.683 116.177 -0.494 1
1 64 . 6 1 1 A 8 8 CYS H H 8 7.743 8.829 -1.086 1
1 65 . 6 1 1 A 8 8 CYS HA H 8 4.975 4.775 0.200 1
1 68 . 6 1 1 A 8 8 CYS C C 8 177.334 176.048 1.286 1
1 69 . 6 1 1 A 8 8 CYS CA C 8 59.497 57.559 1.938 1
1 70 . 6 1 1 A 8 8 CYS CB C 8 29.111 28.842 0.269 1
1 71 . 6 1 1 A 8 8 CYS N N 8 122.794 126.422 -3.628 1
1 72 . 6 1 1 A 9 9 GLN H H 9 9.862 8.819 1.043 1
1 73 . 6 1 1 A 9 9 GLN HA H 9 4.190 4.121 0.069 1
1 80 . 6 1 1 A 9 9 GLN C C 9 175.014 175.095 -0.081 1
1 81 . 6 1 1 A 9 9 GLN CA C 9 56.768 55.791 0.977 1
1 82 . 6 1 1 A 9 9 GLN CB C 9 28.755 28.797 -0.042 1
1 84 . 6 1 1 A 9 9 GLN N N 9 133.013 127.016 5.997 1
1 86 . 6 1 1 A 10 10 ARG H H 10 10.074 7.362 2.712 1
1 87 . 6 1 1 A 10 10 ARG HA H 10 4.152 3.886 0.266 1
1 93 . 6 1 1 A 10 10 ARG CA C 10 55.345 56.565 -1.220 1
1 94 . 6 1 1 A 10 10 ARG CB C 10 27.843 27.830 0.013 1
1 97 . 6 1 1 A 10 10 ARG N N 10 122.014 115.695 6.319 1
1 98 . 6 1 1 A 11 11 PRO HA H 11 4.278 4.578 -0.300 1
1 104 . 6 1 1 A 11 11 PRO C C 11 177.028 175.501 1.527 1
1 105 . 6 1 1 A 11 11 PRO CA C 11 62.703 62.388 0.315 1
1 106 . 6 1 1 A 11 11 PRO CB C 11 31.618 32.257 -0.639 1
1 109 . 6 1 1 A 12 12 CYS H H 12 8.488 8.608 -0.120 1
1 110 . 6 1 1 A 12 12 CYS HA H 12 4.519 5.246 -0.727 1
1 113 . 6 1 1 A 12 12 CYS C C 12 174.690 173.617 1.073 1
1 114 . 6 1 1 A 12 12 CYS CA C 12 58.146 57.925 0.221 1
1 115 . 6 1 1 A 12 12 CYS CB C 12 28.174 30.213 -2.039 1
1 116 . 6 1 1 A 12 12 CYS N N 12 118.868 121.150 -2.282 1
1 117 . 6 1 1 A 13 13 LYS H H 13 7.827 8.505 -0.678 1
1 118 . 6 1 1 A 13 13 LYS HA H 13 4.231 4.854 -0.623 1
1 124 . 6 1 1 A 13 13 LYS C C 13 175.756 176.317 -0.561 1
1 125 . 6 1 1 A 13 13 LYS CA C 13 56.836 54.496 2.340 1
1 126 . 6 1 1 A 13 13 LYS CB C 13 33.502 36.772 -3.270 1
1 130 . 6 1 1 A 13 13 LYS N N 13 122.032 126.604 -4.572 1
1 131 . 6 1 1 A 14 14 ASP H H 14 8.348 9.050 -0.702 1
1 132 . 6 1 1 A 14 14 ASP HA H 14 4.429 4.413 0.016 1
1 135 . 6 1 1 A 14 14 ASP C C 14 176.011 178.274 -2.263 1
1 136 . 6 1 1 A 14 14 ASP CA C 14 55.877 57.133 -1.256 1
1 137 . 6 1 1 A 14 14 ASP CB C 14 40.879 40.769 0.110 1
1 138 . 6 1 1 A 14 14 ASP N N 14 119.433 122.017 -2.584 1
1 139 . 6 1 1 A 15 15 LYS H H 15 7.898 7.962 -0.064 1
1 140 . 6 1 1 A 15 15 LYS HA H 15 4.448 4.329 0.119 1
1 146 . 6 1 1 A 15 15 LYS C C 15 175.094 175.512 -0.418 1
1 147 . 6 1 1 A 15 15 LYS CA C 15 55.647 56.843 -1.196 1
1 148 . 6 1 1 A 15 15 LYS CB C 15 32.563 31.949 0.614 1
1 151 . 6 1 1 A 15 15 LYS N N 15 119.751 117.156 2.595 1
1 152 . 6 1 1 A 16 16 VAL H H 16 7.977 7.808 0.169 1
1 153 . 6 1 1 A 16 16 VAL HA H 16 3.990 4.727 -0.737 1
1 161 . 6 1 1 A 16 16 VAL C C 16 173.871 173.384 0.487 1
1 162 . 6 1 1 A 16 16 VAL CA C 16 61.261 60.541 0.720 1
1 163 . 6 1 1 A 16 16 VAL CB C 16 33.377 34.304 -0.927 1
1 166 . 6 1 1 A 16 16 VAL N N 16 122.186 120.116 2.070 1
1 167 . 6 1 1 A 17 17 ASP H H 17 7.749 9.229 -1.480 1
1 168 . 6 1 1 A 17 17 ASP HA H 17 5.082 5.013 0.069 1
1 171 . 6 1 1 A 17 17 ASP C C 17 176.746 175.753 0.993 1
1 172 . 6 1 1 A 17 17 ASP CA C 17 54.120 54.415 -0.295 1
1 173 . 6 1 1 A 17 17 ASP CB C 17 42.721 42.108 0.613 1
1 174 . 6 1 1 A 17 17 ASP N N 17 122.699 130.276 -7.577 1
1 175 . 6 1 1 A 18 18 TRP H H 18 9.513 9.348 0.165 1
1 176 . 6 1 1 A 18 18 TRP HA H 18 5.604 5.518 0.086 1
1 185 . 6 1 1 A 18 18 TRP C C 18 176.365 175.010 1.355 1
1 186 . 6 1 1 A 18 18 TRP CA C 18 57.700 56.080 1.620 1
1 187 . 6 1 1 A 18 18 TRP CB C 18 34.107 32.674 1.433 1
1 193 . 6 1 1 A 18 18 TRP N N 18 123.857 125.096 -1.239 1
1 195 . 6 1 1 A 19 19 VAL H H 19 10.238 9.143 1.095 1
1 196 . 6 1 1 A 19 19 VAL HA H 19 4.670 4.851 -0.181 1
1 204 . 6 1 1 A 19 19 VAL CA C 19 61.089 59.399 1.690 1
1 205 . 6 1 1 A 19 19 VAL CB C 19 35.518 34.854 0.664 1
1 208 . 6 1 1 A 19 19 VAL N N 19 121.049 116.312 4.737 1
1 209 . 6 1 1 A 20 20 GLN H H 20 8.584 8.748 -0.164 1
1 210 . 6 1 1 A 20 20 GLN HA H 20 4.635 5.199 -0.564 1
1 217 . 6 1 1 A 20 20 GLN C C 20 175.662 175.084 0.578 1
1 218 . 6 1 1 A 20 20 GLN CA C 20 53.063 53.735 -0.672 1
1 219 . 6 1 1 A 20 20 GLN CB C 20 29.098 30.967 -1.869 1
1 221 . 6 1 1 A 20 20 GLN N N 20 130.340 123.228 7.112 1
1 223 . 6 1 1 A 21 21 CYS H H 21 8.740 8.799 -0.059 1
1 224 . 6 1 1 A 21 21 CYS HA H 21 4.588 5.119 -0.531 1
1 227 . 6 1 1 A 21 21 CYS CA C 21 60.617 58.240 2.377 1
1 228 . 6 1 1 A 21 21 CYS CB C 21 31.913 28.642 3.271 1
1 229 . 6 1 1 A 21 21 CYS N N 21 126.319 123.871 2.448 1
1 230 . 6 1 1 A 22 22 ASP H H 22 9.742 8.709 1.033 1
1 231 . 6 1 1 A 22 22 ASP HA H 22 5.079 4.772 0.307 1
1 234 . 6 1 1 A 22 22 ASP C C 22 178.015 176.916 1.099 1
1 235 . 6 1 1 A 22 22 ASP CA C 22 55.185 54.227 0.958 1
1 236 . 6 1 1 A 22 22 ASP CB C 22 42.664 41.389 1.275 1
1 237 . 6 1 1 A 22 22 ASP N N 22 130.603 125.836 4.767 1
1 238 . 6 1 1 A 23 23 GLY H H 23 10.762 8.048 2.714 1
1 239 . 6 1 1 A 23 23 GLY HA2 H 23 4.156 3.881 0.275 1
1 240 . 6 1 1 A 23 23 GLY HA3 H 23 3.536 3.903 -0.367 1
1 241 . 6 1 1 A 23 23 GLY C C 23 173.898 174.504 -0.606 1
1 242 . 6 1 1 A 23 23 GLY CA C 23 45.351 45.385 -0.034 1
1 243 . 6 1 1 A 23 23 GLY N N 23 116.158 108.161 7.997 1
1 244 . 6 1 1 A 24 24 GLY H H 24 8.904 7.777 1.127 1
1 245 . 6 1 1 A 24 24 GLY HA2 H 24 3.499 4.028 -0.529 1
1 246 . 6 1 1 A 24 24 GLY HA3 H 24 4.740 4.029 0.711 1
1 247 . 6 1 1 A 24 24 GLY C C 24 175.291 175.810 -0.519 1
1 248 . 6 1 1 A 24 24 GLY CA C 24 45.209 45.364 -0.155 1
1 249 . 6 1 1 A 24 24 GLY N N 24 109.769 106.732 3.037 1
1 250 . 6 1 1 A 25 25 CYS H H 25 7.639 8.136 -0.497 1
1 251 . 6 1 1 A 25 25 CYS HA H 25 4.465 4.547 -0.082 1
1 254 . 6 1 1 A 25 25 CYS C C 25 175.738 174.162 1.576 1
1 255 . 6 1 1 A 25 25 CYS CA C 25 60.097 60.264 -0.167 1
1 256 . 6 1 1 A 25 25 CYS CB C 25 30.248 28.749 1.499 1
1 257 . 6 1 1 A 25 25 CYS N N 25 119.776 119.865 -0.089 1
1 258 . 6 1 1 A 26 26 ASP H H 26 8.209 7.788 0.421 1
1 259 . 6 1 1 A 26 26 ASP HA H 26 4.283 4.223 0.060 1
1 261 . 6 1 1 A 26 26 ASP C C 26 175.280 174.973 0.307 1
1 262 . 6 1 1 A 26 26 ASP CA C 26 56.107 55.453 0.654 1
1 263 . 6 1 1 A 26 26 ASP CB C 26 39.958 39.736 0.222 1
1 264 . 6 1 1 A 26 26 ASP N N 26 117.501 117.679 -0.178 1
1 265 . 6 1 1 A 27 27 GLU H H 27 9.023 8.077 0.946 1
1 266 . 6 1 1 A 27 27 GLU HA H 27 4.372 4.646 -0.274 1
1 271 . 6 1 1 A 27 27 GLU C C 27 174.686 175.614 -0.928 1
1 272 . 6 1 1 A 27 27 GLU CA C 27 58.185 55.628 2.557 1
1 273 . 6 1 1 A 27 27 GLU CB C 27 30.552 30.841 -0.289 1
1 275 . 6 1 1 A 27 27 GLU N N 27 123.133 117.721 5.412 1
1 276 . 6 1 1 A 28 28 TRP H H 28 8.452 8.910 -0.458 1
1 277 . 6 1 1 A 28 28 TRP HA H 28 4.967 5.746 -0.779 1
1 286 . 6 1 1 A 28 28 TRP C C 28 175.501 175.689 -0.188 1
1 287 . 6 1 1 A 28 28 TRP CA C 28 57.211 55.467 1.744 1
1 288 . 6 1 1 A 28 28 TRP CB C 28 31.524 31.356 0.168 1
1 294 . 6 1 1 A 28 28 TRP N N 28 118.126 120.752 -2.626 1
1 296 . 6 1 1 A 29 29 PHE H H 29 9.699 9.905 -0.206 1
1 297 . 6 1 1 A 29 29 PHE HA H 29 4.994 5.158 -0.164 1
1 303 . 6 1 1 A 29 29 PHE C C 29 176.176 175.166 1.010 1
1 304 . 6 1 1 A 29 29 PHE CA C 29 56.712 56.473 0.239 1
1 305 . 6 1 1 A 29 29 PHE CB C 29 43.056 43.111 -0.055 1
1 309 . 6 1 1 A 29 29 PHE N N 29 119.283 121.854 -2.571 1
1 310 . 6 1 1 A 30 30 HIS H H 30 9.676 8.337 1.339 1
1 311 . 6 1 1 A 30 30 HIS HA H 30 4.400 4.530 -0.130 1
1 316 . 6 1 1 A 30 30 HIS C C 30 177.509 176.344 1.165 1
1 317 . 6 1 1 A 30 30 HIS CA C 30 56.723 55.359 1.364 1
1 318 . 6 1 1 A 30 30 HIS CB C 30 29.686 30.905 -1.219 1
1 320 . 6 1 1 A 30 30 HIS N N 30 124.436 119.275 5.161 1
1 321 . 6 1 1 A 31 31 GLN H H 31 8.537 8.894 -0.357 1
1 322 . 6 1 1 A 31 31 GLN HA H 31 3.486 3.742 -0.256 1
1 329 . 6 1 1 A 31 31 GLN C C 31 179.005 178.097 0.908 1
1 330 . 6 1 1 A 31 31 GLN CA C 31 60.606 59.595 1.011 1
1 331 . 6 1 1 A 31 31 GLN CB C 31 26.624 28.353 -1.729 1
1 333 . 6 1 1 A 31 31 GLN N N 31 124.297 122.802 1.495 1
1 335 . 6 1 1 A 32 32 VAL H H 32 8.688 8.140 0.548 1
1 336 . 6 1 1 A 32 32 VAL HA H 32 4.060 3.769 0.291 1
1 344 . 6 1 1 A 32 32 VAL C C 32 178.001 177.706 0.295 1
1 345 . 6 1 1 A 32 32 VAL CA C 32 64.333 64.677 -0.344 1
1 346 . 6 1 1 A 32 32 VAL CB C 32 31.703 31.077 0.626 1
1 349 . 6 1 1 A 32 32 VAL N N 32 113.575 119.621 -6.046 1
1 350 . 6 1 1 A 33 33 CYS H H 33 6.893 8.112 -1.219 1
1 351 . 6 1 1 A 33 33 CYS HA H 33 4.151 4.175 -0.024 1
1 354 . 6 1 1 A 33 33 CYS C C 33 177.137 175.351 1.786 1
1 355 . 6 1 1 A 33 33 CYS CA C 33 62.650 61.178 1.472 1
1 356 . 6 1 1 A 33 33 CYS CB C 33 29.399 27.290 2.109 1
1 357 . 6 1 1 A 33 33 CYS N N 33 120.368 119.615 0.753 1
1 358 . 6 1 1 A 34 34 VAL H H 34 7.137 7.714 -0.577 1
1 359 . 6 1 1 A 34 34 VAL HA H 34 4.564 4.377 0.187 1
1 367 . 6 1 1 A 34 34 VAL C C 34 175.969 176.076 -0.107 1
1 368 . 6 1 1 A 34 34 VAL CA C 34 60.138 62.231 -2.093 1
1 369 . 6 1 1 A 34 34 VAL CB C 34 31.887 31.947 -0.060 1
1 372 . 6 1 1 A 34 34 VAL N N 34 106.615 118.784 -12.169 1
1 373 . 6 1 1 A 35 35 GLY H H 35 7.506 7.605 -0.099 1
1 374 . 6 1 1 A 35 35 GLY HA2 H 35 3.864 3.956 -0.092 1
1 375 . 6 1 1 A 35 35 GLY HA3 H 35 3.940 3.968 -0.028 1
1 376 . 6 1 1 A 35 35 GLY C C 35 174.670 174.747 -0.077 1
1 377 . 6 1 1 A 35 35 GLY CA C 35 47.029 46.559 0.470 1
1 378 . 6 1 1 A 35 35 GLY N N 35 110.034 111.283 -1.249 1
1 379 . 6 1 1 A 36 36 VAL H H 36 7.621 8.600 -0.979 1
1 380 . 6 1 1 A 36 36 VAL HA H 36 4.300 4.276 0.024 1
1 388 . 6 1 1 A 36 36 VAL C C 36 174.260 175.846 -1.586 1
1 389 . 6 1 1 A 36 36 VAL CA C 36 61.084 61.707 -0.623 1
1 390 . 6 1 1 A 36 36 VAL CB C 36 34.059 32.971 1.088 1
1 393 . 6 1 1 A 36 36 VAL N N 36 119.403 120.051 -0.648 1
1 394 . 6 1 1 A 37 37 SER H H 37 8.007 8.961 -0.954 1
1 395 . 6 1 1 A 37 37 SER HA H 37 4.861 5.038 -0.177 1
1 398 . 6 1 1 A 37 37 SER CA C 37 55.564 55.928 -0.364 1
1 399 . 6 1 1 A 37 37 SER CB C 37 63.789 63.831 -0.042 1
1 400 . 6 1 1 A 37 37 SER N N 37 122.814 120.691 2.123 1
1 401 . 6 1 1 A 38 38 PRO HA H 38 4.337 4.847 -0.510 1
1 407 . 6 1 1 A 38 38 PRO C C 38 179.162 177.931 1.231 1
1 408 . 6 1 1 A 38 38 PRO CA C 38 65.551 65.048 0.503 1
1 409 . 6 1 1 A 38 38 PRO CB C 38 31.882 32.070 -0.188 1
1 412 . 6 1 1 A 39 39 GLU H H 39 8.520 8.245 0.275 1
1 413 . 6 1 1 A 39 39 GLU HA H 39 4.126 4.153 -0.027 1
1 418 . 6 1 1 A 39 39 GLU C C 39 178.588 178.851 -0.263 1
1 419 . 6 1 1 A 39 39 GLU CA C 39 59.321 59.272 0.049 1
1 420 . 6 1 1 A 39 39 GLU CB C 39 29.016 29.052 -0.036 1
1 422 . 6 1 1 A 39 39 GLU N N 39 116.621 118.033 -1.412 1
1 423 . 6 1 1 A 40 40 MET H H 40 7.707 7.877 -0.170 1
1 424 . 6 1 1 A 40 40 MET HA H 40 4.169 4.456 -0.287 1
1 431 . 6 1 1 A 40 40 MET C C 40 177.937 177.918 0.019 1
1 432 . 6 1 1 A 40 40 MET CA C 40 58.076 57.189 0.887 1
1 433 . 6 1 1 A 40 40 MET CB C 40 33.752 32.201 1.551 1
1 436 . 6 1 1 A 40 40 MET N N 40 120.129 119.720 0.409 1
1 437 . 6 1 1 A 41 41 ALA H H 41 8.214 7.927 0.287 1
1 438 . 6 1 1 A 41 41 ALA HA H 41 4.148 3.991 0.157 1
1 442 . 6 1 1 A 41 41 ALA C C 41 179.237 179.775 -0.538 1
1 443 . 6 1 1 A 41 41 ALA CA C 41 54.188 55.462 -1.274 1
1 444 . 6 1 1 A 41 41 ALA CB C 41 18.596 18.447 0.149 1
1 445 . 6 1 1 A 41 41 ALA N N 41 121.551 121.474 0.077 1
1 446 . 6 1 1 A 42 42 GLU H H 42 7.823 7.594 0.229 1
1 447 . 6 1 1 A 42 42 GLU HA H 42 4.377 4.171 0.206 1
1 450 . 6 1 1 A 42 42 GLU C C 42 177.669 177.201 0.468 1
1 451 . 6 1 1 A 42 42 GLU CA C 42 57.775 58.319 -0.544 1
1 452 . 6 1 1 A 42 42 GLU CB C 42 30.495 29.660 0.835 1
1 454 . 6 1 1 A 42 42 GLU N N 42 115.185 117.613 -2.428 1
1 455 . 6 1 1 A 43 43 ASN H H 43 7.817 7.675 0.142 1
1 456 . 6 1 1 A 43 43 ASN HA H 43 4.845 4.870 -0.025 1
1 461 . 6 1 1 A 43 43 ASN C C 43 174.634 175.130 -0.496 1
1 462 . 6 1 1 A 43 43 ASN CA C 43 54.343 54.177 0.166 1
1 463 . 6 1 1 A 43 43 ASN CB C 43 40.910 41.372 -0.462 1
1 464 . 6 1 1 A 43 43 ASN N N 43 115.082 115.875 -0.793 1
1 466 . 6 1 1 A 44 44 GLU H H 44 8.140 8.282 -0.142 1
1 467 . 6 1 1 A 44 44 GLU HA H 44 4.572 4.722 -0.150 1
1 471 . 6 1 1 A 44 44 GLU C C 44 172.191 175.796 -3.605 1
1 472 . 6 1 1 A 44 44 GLU CA C 44 55.221 54.730 0.491 1
1 473 . 6 1 1 A 44 44 GLU CB C 44 32.235 33.608 -1.373 1
1 475 . 6 1 1 A 44 44 GLU N N 44 119.186 117.181 2.005 1
1 476 . 6 1 1 A 45 45 ASP H H 45 8.392 8.572 -0.180 1
1 477 . 6 1 1 A 45 45 ASP HA H 45 5.044 4.834 0.210 1
1 480 . 6 1 1 A 45 45 ASP CA C 45 53.829 54.414 -0.585 1
1 481 . 6 1 1 A 45 45 ASP CB C 45 41.271 41.148 0.123 1
1 482 . 6 1 1 A 45 45 ASP N N 45 121.008 121.331 -0.323 1
1 483 . 6 1 1 A 46 46 TYR H H 46 9.307 8.897 0.410 1
1 484 . 6 1 1 A 46 46 TYR HA H 46 4.508 4.627 -0.119 1
1 489 . 6 1 1 A 46 46 TYR C C 46 172.490 174.168 -1.678 1
1 490 . 6 1 1 A 46 46 TYR CA C 46 58.416 57.535 0.881 1
1 491 . 6 1 1 A 46 46 TYR CB C 46 39.842 38.372 1.470 1
1 494 . 6 1 1 A 46 46 TYR N N 46 124.739 126.199 -1.460 1
1 495 . 6 1 1 A 47 47 ILE H H 47 7.204 8.710 -1.506 1
1 496 . 6 1 1 A 47 47 ILE HA H 47 4.464 4.480 -0.016 1
1 506 . 6 1 1 A 47 47 ILE C C 47 174.754 175.191 -0.437 1
1 507 . 6 1 1 A 47 47 ILE CA C 47 58.308 59.433 -1.125 1
1 508 . 6 1 1 A 47 47 ILE CB C 47 37.997 39.937 -1.940 1
1 512 . 6 1 1 A 47 47 ILE N N 47 128.235 127.790 0.445 1
1 513 . 6 1 1 A 48 48 CYS H H 48 9.441 8.198 1.243 1
1 514 . 6 1 1 A 48 48 CYS HA H 48 4.132 4.422 -0.290 1
1 517 . 6 1 1 A 48 48 CYS C C 48 175.259 175.426 -0.167 1
1 518 . 6 1 1 A 48 48 CYS CA C 48 58.247 56.513 1.734 1
1 519 . 6 1 1 A 48 48 CYS CB C 48 32.230 28.967 3.263 1
1 520 . 6 1 1 A 48 48 CYS N N 48 131.299 123.260 8.039 1
1 521 . 6 1 1 A 49 49 ILE H H 49 7.753 8.648 -0.895 1
1 522 . 6 1 1 A 49 49 ILE HA H 49 3.968 3.901 0.067 1
1 532 . 6 1 1 A 49 49 ILE C C 49 177.248 177.717 -0.469 1
1 533 . 6 1 1 A 49 49 ILE CA C 49 63.078 64.134 -1.056 1
1 534 . 6 1 1 A 49 49 ILE CB C 49 38.535 37.733 0.802 1
1 538 . 6 1 1 A 49 49 ILE N N 49 113.316 121.615 -8.299 1
1 539 . 6 1 1 A 50 50 ASN H H 50 8.884 7.825 1.059 1
1 540 . 6 1 1 A 50 50 ASN HA H 50 4.729 4.582 0.147 1
1 545 . 6 1 1 A 50 50 ASN C C 50 176.793 177.860 -1.067 1
1 546 . 6 1 1 A 50 50 ASN CA C 50 55.405 55.924 -0.519 1
1 547 . 6 1 1 A 50 50 ASN CB C 50 39.719 38.340 1.379 1
1 548 . 6 1 1 A 50 50 ASN N N 50 121.756 119.547 2.209 1
1 550 . 6 1 1 A 51 51 CYS H H 51 8.179 7.970 0.209 1
1 551 . 6 1 1 A 51 51 CYS HA H 51 4.121 4.211 -0.090 1
1 554 . 6 1 1 A 51 51 CYS C C 51 174.880 175.609 -0.729 1
1 555 . 6 1 1 A 51 51 CYS CA C 51 61.889 63.185 -1.296 1
1 556 . 6 1 1 A 51 51 CYS CB C 51 31.444 26.926 4.518 1
1 557 . 6 1 1 A 51 51 CYS N N 51 123.907 118.273 5.634 1
1 1 . 7 1 1 A 2 2 VAL H H 2 8.398 9.252 -0.854 1
1 2 . 7 1 1 A 2 2 VAL HA H 2 5.045 4.650 0.395 1
1 10 . 7 1 1 A 2 2 VAL C C 2 175.547 175.810 -0.263 1
1 11 . 7 1 1 A 2 2 VAL CA C 2 60.781 60.899 -0.118 1
1 12 . 7 1 1 A 2 2 VAL CB C 2 34.251 34.479 -0.228 1
1 15 . 7 1 1 A 3 3 CYS H H 3 9.217 9.095 0.122 1
1 16 . 7 1 1 A 3 3 CYS HA H 3 5.017 4.869 0.148 1
1 19 . 7 1 1 A 3 3 CYS C C 3 174.515 174.488 0.027 1
1 20 . 7 1 1 A 3 3 CYS CA C 3 57.354 57.854 -0.500 1
1 21 . 7 1 1 A 3 3 CYS CB C 3 31.812 29.511 2.301 1
1 22 . 7 1 1 A 3 3 CYS N N 3 128.514 126.222 2.292 1
1 23 . 7 1 1 A 4 4 ALA H H 4 7.577 8.406 -0.829 1
1 24 . 7 1 1 A 4 4 ALA HA H 4 4.294 4.788 -0.494 1
1 28 . 7 1 1 A 4 4 ALA C C 4 177.618 176.465 1.153 1
1 29 . 7 1 1 A 4 4 ALA CA C 4 52.672 50.815 1.857 1
1 30 . 7 1 1 A 4 4 ALA CB C 4 18.970 20.028 -1.058 1
1 31 . 7 1 1 A 4 4 ALA N N 4 121.274 123.807 -2.533 1
1 32 . 7 1 1 A 5 5 ALA H H 5 9.064 8.363 0.701 1
1 33 . 7 1 1 A 5 5 ALA HA H 5 4.553 4.919 -0.366 1
1 37 . 7 1 1 A 5 5 ALA C C 5 177.906 177.358 0.548 1
1 38 . 7 1 1 A 5 5 ALA CA C 5 53.048 51.992 1.056 1
1 39 . 7 1 1 A 5 5 ALA CB C 5 19.508 22.390 -2.882 1
1 40 . 7 1 1 A 5 5 ALA N N 5 125.546 124.300 1.246 1
1 41 . 7 1 1 A 6 6 GLN H H 6 9.013 8.681 0.332 1
1 42 . 7 1 1 A 6 6 GLN HA H 6 4.099 4.147 -0.048 1
1 48 . 7 1 1 A 6 6 GLN C C 6 176.725 176.330 0.395 1
1 49 . 7 1 1 A 6 6 GLN CA C 6 58.528 59.083 -0.555 1
1 50 . 7 1 1 A 6 6 GLN CB C 6 28.394 28.868 -0.474 1
1 52 . 7 1 1 A 6 6 GLN N N 6 123.087 121.676 1.411 1
1 54 . 7 1 1 A 7 7 ASN H H 7 8.406 8.278 0.128 1
1 55 . 7 1 1 A 7 7 ASN HA H 7 4.883 4.943 -0.060 1
1 59 . 7 1 1 A 7 7 ASN C C 7 173.875 173.531 0.344 1
1 60 . 7 1 1 A 7 7 ASN CA C 7 51.765 52.208 -0.443 1
1 61 . 7 1 1 A 7 7 ASN CB C 7 37.899 39.126 -1.227 1
1 62 . 7 1 1 A 7 7 ASN N N 7 115.683 118.357 -2.674 1
1 64 . 7 1 1 A 8 8 CYS H H 8 7.743 8.737 -0.994 1
1 65 . 7 1 1 A 8 8 CYS HA H 8 4.975 4.732 0.243 1
1 68 . 7 1 1 A 8 8 CYS C C 8 177.334 176.462 0.872 1
1 69 . 7 1 1 A 8 8 CYS CA C 8 59.497 57.880 1.617 1
1 70 . 7 1 1 A 8 8 CYS CB C 8 29.111 29.404 -0.293 1
1 71 . 7 1 1 A 8 8 CYS N N 8 122.794 123.237 -0.443 1
1 72 . 7 1 1 A 9 9 GLN H H 9 9.862 8.822 1.040 1
1 73 . 7 1 1 A 9 9 GLN HA H 9 4.190 4.137 0.053 1
1 80 . 7 1 1 A 9 9 GLN C C 9 175.014 175.129 -0.115 1
1 81 . 7 1 1 A 9 9 GLN CA C 9 56.768 55.795 0.973 1
1 82 . 7 1 1 A 9 9 GLN CB C 9 28.755 28.868 -0.113 1
1 84 . 7 1 1 A 9 9 GLN N N 9 133.013 127.287 5.726 1
1 86 . 7 1 1 A 10 10 ARG H H 10 10.074 7.461 2.613 1
1 87 . 7 1 1 A 10 10 ARG HA H 10 4.152 3.927 0.225 1
1 93 . 7 1 1 A 10 10 ARG CA C 10 55.345 56.630 -1.285 1
1 94 . 7 1 1 A 10 10 ARG CB C 10 27.843 28.060 -0.217 1
1 97 . 7 1 1 A 10 10 ARG N N 10 122.014 115.718 6.296 1
1 98 . 7 1 1 A 11 11 PRO HA H 11 4.278 4.548 -0.270 1
1 104 . 7 1 1 A 11 11 PRO C C 11 177.028 175.624 1.404 1
1 105 . 7 1 1 A 11 11 PRO CA C 11 62.703 62.554 0.149 1
1 106 . 7 1 1 A 11 11 PRO CB C 11 31.618 32.026 -0.408 1
1 109 . 7 1 1 A 12 12 CYS H H 12 8.488 8.544 -0.056 1
1 110 . 7 1 1 A 12 12 CYS HA H 12 4.519 5.141 -0.622 1
1 113 . 7 1 1 A 12 12 CYS C C 12 174.690 173.708 0.982 1
1 114 . 7 1 1 A 12 12 CYS CA C 12 58.146 57.762 0.384 1
1 115 . 7 1 1 A 12 12 CYS CB C 12 28.174 30.017 -1.843 1
1 116 . 7 1 1 A 12 12 CYS N N 12 118.868 121.475 -2.607 1
1 117 . 7 1 1 A 13 13 LYS H H 13 7.827 8.621 -0.794 1
1 118 . 7 1 1 A 13 13 LYS HA H 13 4.231 4.863 -0.632 1
1 124 . 7 1 1 A 13 13 LYS C C 13 175.756 176.501 -0.745 1
1 125 . 7 1 1 A 13 13 LYS CA C 13 56.836 54.689 2.147 1
1 126 . 7 1 1 A 13 13 LYS CB C 13 33.502 36.593 -3.091 1
1 130 . 7 1 1 A 13 13 LYS N N 13 122.032 126.631 -4.599 1
1 131 . 7 1 1 A 14 14 ASP H H 14 8.348 8.545 -0.197 1
1 132 . 7 1 1 A 14 14 ASP HA H 14 4.429 4.590 -0.161 1
1 135 . 7 1 1 A 14 14 ASP C C 14 176.011 176.110 -0.099 1
1 136 . 7 1 1 A 14 14 ASP CA C 14 55.877 55.758 0.119 1
1 137 . 7 1 1 A 14 14 ASP CB C 14 40.879 40.730 0.149 1
1 138 . 7 1 1 A 14 14 ASP N N 14 119.433 121.521 -2.088 1
1 139 . 7 1 1 A 15 15 LYS H H 15 7.898 7.923 -0.025 1
1 140 . 7 1 1 A 15 15 LYS HA H 15 4.448 4.630 -0.182 1
1 146 . 7 1 1 A 15 15 LYS C C 15 175.094 175.294 -0.200 1
1 147 . 7 1 1 A 15 15 LYS CA C 15 55.647 55.376 0.271 1
1 148 . 7 1 1 A 15 15 LYS CB C 15 32.563 33.492 -0.929 1
1 151 . 7 1 1 A 15 15 LYS N N 15 119.751 119.203 0.548 1
1 152 . 7 1 1 A 16 16 VAL H H 16 7.977 8.286 -0.309 1
1 153 . 7 1 1 A 16 16 VAL HA H 16 3.990 4.550 -0.560 1
1 161 . 7 1 1 A 16 16 VAL C C 16 173.871 174.381 -0.510 1
1 162 . 7 1 1 A 16 16 VAL CA C 16 61.261 60.992 0.269 1
1 163 . 7 1 1 A 16 16 VAL CB C 16 33.377 33.306 0.071 1
1 166 . 7 1 1 A 16 16 VAL N N 16 122.186 123.344 -1.158 1
1 167 . 7 1 1 A 17 17 ASP H H 17 7.749 8.914 -1.165 1
1 168 . 7 1 1 A 17 17 ASP HA H 17 5.082 4.988 0.094 1
1 171 . 7 1 1 A 17 17 ASP C C 17 176.746 176.234 0.512 1
1 172 . 7 1 1 A 17 17 ASP CA C 17 54.120 55.061 -0.941 1
1 173 . 7 1 1 A 17 17 ASP CB C 17 42.721 41.274 1.447 1
1 174 . 7 1 1 A 17 17 ASP N N 17 122.699 129.086 -6.387 1
1 175 . 7 1 1 A 18 18 TRP H H 18 9.513 9.342 0.171 1
1 176 . 7 1 1 A 18 18 TRP HA H 18 5.604 5.471 0.133 1
1 185 . 7 1 1 A 18 18 TRP C C 18 176.365 175.255 1.110 1
1 186 . 7 1 1 A 18 18 TRP CA C 18 57.700 56.012 1.688 1
1 187 . 7 1 1 A 18 18 TRP CB C 18 34.107 32.447 1.660 1
1 193 . 7 1 1 A 18 18 TRP N N 18 123.857 122.283 1.574 1
1 195 . 7 1 1 A 19 19 VAL H H 19 10.238 9.075 1.163 1
1 196 . 7 1 1 A 19 19 VAL HA H 19 4.670 4.867 -0.197 1
1 204 . 7 1 1 A 19 19 VAL CA C 19 61.089 59.706 1.383 1
1 205 . 7 1 1 A 19 19 VAL CB C 19 35.518 34.647 0.871 1
1 208 . 7 1 1 A 19 19 VAL N N 19 121.049 116.374 4.675 1
1 209 . 7 1 1 A 20 20 GLN H H 20 8.584 8.728 -0.144 1
1 210 . 7 1 1 A 20 20 GLN HA H 20 4.635 5.096 -0.461 1
1 217 . 7 1 1 A 20 20 GLN C C 20 175.662 175.243 0.419 1
1 218 . 7 1 1 A 20 20 GLN CA C 20 53.063 53.634 -0.571 1
1 219 . 7 1 1 A 20 20 GLN CB C 20 29.098 29.990 -0.892 1
1 221 . 7 1 1 A 20 20 GLN N N 20 130.340 123.780 6.560 1
1 223 . 7 1 1 A 21 21 CYS H H 21 8.740 9.148 -0.408 1
1 224 . 7 1 1 A 21 21 CYS HA H 21 4.588 5.296 -0.708 1
1 227 . 7 1 1 A 21 21 CYS CA C 21 60.617 58.646 1.971 1
1 228 . 7 1 1 A 21 21 CYS CB C 21 31.913 28.072 3.841 1
1 229 . 7 1 1 A 21 21 CYS N N 21 126.319 124.056 2.263 1
1 230 . 7 1 1 A 22 22 ASP H H 22 9.742 8.710 1.032 1
1 231 . 7 1 1 A 22 22 ASP HA H 22 5.079 4.730 0.349 1
1 234 . 7 1 1 A 22 22 ASP C C 22 178.015 176.879 1.136 1
1 235 . 7 1 1 A 22 22 ASP CA C 22 55.185 54.724 0.461 1
1 236 . 7 1 1 A 22 22 ASP CB C 22 42.664 41.090 1.574 1
1 237 . 7 1 1 A 22 22 ASP N N 22 130.603 126.712 3.891 1
1 238 . 7 1 1 A 23 23 GLY H H 23 10.762 8.056 2.706 1
1 239 . 7 1 1 A 23 23 GLY HA2 H 23 4.156 3.881 0.275 1
1 240 . 7 1 1 A 23 23 GLY HA3 H 23 3.536 3.899 -0.363 1
1 241 . 7 1 1 A 23 23 GLY C C 23 173.898 174.406 -0.508 1
1 242 . 7 1 1 A 23 23 GLY CA C 23 45.351 45.393 -0.042 1
1 243 . 7 1 1 A 23 23 GLY N N 23 116.158 107.949 8.209 1
1 244 . 7 1 1 A 24 24 GLY H H 24 8.904 7.840 1.064 1
1 245 . 7 1 1 A 24 24 GLY HA2 H 24 3.499 4.020 -0.521 1
1 246 . 7 1 1 A 24 24 GLY HA3 H 24 4.740 4.021 0.719 1
1 247 . 7 1 1 A 24 24 GLY C C 24 175.291 175.786 -0.495 1
1 248 . 7 1 1 A 24 24 GLY CA C 24 45.209 45.378 -0.169 1
1 249 . 7 1 1 A 24 24 GLY N N 24 109.769 106.865 2.904 1
1 250 . 7 1 1 A 25 25 CYS H H 25 7.639 8.115 -0.476 1
1 251 . 7 1 1 A 25 25 CYS HA H 25 4.465 4.545 -0.080 1
1 254 . 7 1 1 A 25 25 CYS C C 25 175.738 174.295 1.443 1
1 255 . 7 1 1 A 25 25 CYS CA C 25 60.097 59.760 0.337 1
1 256 . 7 1 1 A 25 25 CYS CB C 25 30.248 28.770 1.478 1
1 257 . 7 1 1 A 25 25 CYS N N 25 119.776 119.781 -0.005 1
1 258 . 7 1 1 A 26 26 ASP H H 26 8.209 7.634 0.575 1
1 259 . 7 1 1 A 26 26 ASP HA H 26 4.283 4.264 0.019 1
1 261 . 7 1 1 A 26 26 ASP C C 26 175.280 174.837 0.443 1
1 262 . 7 1 1 A 26 26 ASP CA C 26 56.107 55.661 0.446 1
1 263 . 7 1 1 A 26 26 ASP CB C 26 39.958 39.384 0.574 1
1 264 . 7 1 1 A 26 26 ASP N N 26 117.501 117.768 -0.267 1
1 265 . 7 1 1 A 27 27 GLU H H 27 9.023 8.013 1.010 1
1 266 . 7 1 1 A 27 27 GLU HA H 27 4.372 4.687 -0.315 1
1 271 . 7 1 1 A 27 27 GLU C C 27 174.686 175.712 -1.026 1
1 272 . 7 1 1 A 27 27 GLU CA C 27 58.185 55.335 2.850 1
1 273 . 7 1 1 A 27 27 GLU CB C 27 30.552 30.595 -0.043 1
1 275 . 7 1 1 A 27 27 GLU N N 27 123.133 117.662 5.471 1
1 276 . 7 1 1 A 28 28 TRP H H 28 8.452 8.950 -0.498 1
1 277 . 7 1 1 A 28 28 TRP HA H 28 4.967 5.825 -0.858 1
1 286 . 7 1 1 A 28 28 TRP C C 28 175.501 175.659 -0.158 1
1 287 . 7 1 1 A 28 28 TRP CA C 28 57.211 55.271 1.940 1
1 288 . 7 1 1 A 28 28 TRP CB C 28 31.524 31.648 -0.124 1
1 294 . 7 1 1 A 28 28 TRP N N 28 118.126 120.711 -2.585 1
1 296 . 7 1 1 A 29 29 PHE H H 29 9.699 9.890 -0.191 1
1 297 . 7 1 1 A 29 29 PHE HA H 29 4.994 5.116 -0.122 1
1 303 . 7 1 1 A 29 29 PHE C C 29 176.176 175.152 1.024 1
1 304 . 7 1 1 A 29 29 PHE CA C 29 56.712 56.539 0.173 1
1 305 . 7 1 1 A 29 29 PHE CB C 29 43.056 42.618 0.438 1
1 309 . 7 1 1 A 29 29 PHE N N 29 119.283 122.163 -2.880 1
1 310 . 7 1 1 A 30 30 HIS H H 30 9.676 8.283 1.393 1
1 311 . 7 1 1 A 30 30 HIS HA H 30 4.400 4.520 -0.120 1
1 316 . 7 1 1 A 30 30 HIS C C 30 177.509 176.100 1.409 1
1 317 . 7 1 1 A 30 30 HIS CA C 30 56.723 55.270 1.453 1
1 318 . 7 1 1 A 30 30 HIS CB C 30 29.686 31.036 -1.350 1
1 320 . 7 1 1 A 30 30 HIS N N 30 124.436 119.075 5.361 1
1 321 . 7 1 1 A 31 31 GLN H H 31 8.537 8.930 -0.393 1
1 322 . 7 1 1 A 31 31 GLN HA H 31 3.486 3.816 -0.330 1
1 329 . 7 1 1 A 31 31 GLN C C 31 179.005 178.359 0.646 1
1 330 . 7 1 1 A 31 31 GLN CA C 31 60.606 59.202 1.404 1
1 331 . 7 1 1 A 31 31 GLN CB C 31 26.624 28.272 -1.648 1
1 333 . 7 1 1 A 31 31 GLN N N 31 124.297 122.847 1.450 1
1 335 . 7 1 1 A 32 32 VAL H H 32 8.688 7.998 0.690 1
1 336 . 7 1 1 A 32 32 VAL HA H 32 4.060 3.806 0.254 1
1 344 . 7 1 1 A 32 32 VAL C C 32 178.001 177.571 0.430 1
1 345 . 7 1 1 A 32 32 VAL CA C 32 64.333 64.418 -0.085 1
1 346 . 7 1 1 A 32 32 VAL CB C 32 31.703 31.500 0.203 1
1 349 . 7 1 1 A 32 32 VAL N N 32 113.575 118.894 -5.319 1
1 350 . 7 1 1 A 33 33 CYS H H 33 6.893 8.167 -1.274 1
1 351 . 7 1 1 A 33 33 CYS HA H 33 4.151 4.179 -0.028 1
1 354 . 7 1 1 A 33 33 CYS C C 33 177.137 175.637 1.500 1
1 355 . 7 1 1 A 33 33 CYS CA C 33 62.650 61.594 1.056 1
1 356 . 7 1 1 A 33 33 CYS CB C 33 29.399 27.264 2.135 1
1 357 . 7 1 1 A 33 33 CYS N N 33 120.368 119.482 0.886 1
1 358 . 7 1 1 A 34 34 VAL H H 34 7.137 7.650 -0.513 1
1 359 . 7 1 1 A 34 34 VAL HA H 34 4.564 4.345 0.219 1
1 367 . 7 1 1 A 34 34 VAL C C 34 175.969 176.011 -0.042 1
1 368 . 7 1 1 A 34 34 VAL CA C 34 60.138 62.491 -2.353 1
1 369 . 7 1 1 A 34 34 VAL CB C 34 31.887 31.985 -0.098 1
1 372 . 7 1 1 A 34 34 VAL N N 34 106.615 119.000 -12.385 1
1 373 . 7 1 1 A 35 35 GLY H H 35 7.506 7.596 -0.090 1
1 374 . 7 1 1 A 35 35 GLY HA2 H 35 3.864 3.937 -0.073 1
1 375 . 7 1 1 A 35 35 GLY HA3 H 35 3.940 3.948 -0.008 1
1 376 . 7 1 1 A 35 35 GLY C C 35 174.670 174.421 0.249 1
1 377 . 7 1 1 A 35 35 GLY CA C 35 47.029 46.942 0.087 1
1 378 . 7 1 1 A 35 35 GLY N N 35 110.034 111.585 -1.551 1
1 379 . 7 1 1 A 36 36 VAL H H 36 7.621 8.261 -0.640 1
1 380 . 7 1 1 A 36 36 VAL HA H 36 4.300 4.650 -0.350 1
1 388 . 7 1 1 A 36 36 VAL C C 36 174.260 175.344 -1.084 1
1 389 . 7 1 1 A 36 36 VAL CA C 36 61.084 60.351 0.733 1
1 390 . 7 1 1 A 36 36 VAL CB C 36 34.059 34.905 -0.846 1
1 393 . 7 1 1 A 36 36 VAL N N 36 119.403 119.785 -0.382 1
1 394 . 7 1 1 A 37 37 SER H H 37 8.007 8.639 -0.632 1
1 395 . 7 1 1 A 37 37 SER HA H 37 4.861 5.070 -0.209 1
1 398 . 7 1 1 A 37 37 SER CA C 37 55.564 55.409 0.155 1
1 399 . 7 1 1 A 37 37 SER CB C 37 63.789 64.230 -0.441 1
1 400 . 7 1 1 A 37 37 SER N N 37 122.814 118.434 4.380 1
1 401 . 7 1 1 A 38 38 PRO HA H 38 4.337 4.829 -0.492 1
1 407 . 7 1 1 A 38 38 PRO C C 38 179.162 177.732 1.430 1
1 408 . 7 1 1 A 38 38 PRO CA C 38 65.551 65.050 0.501 1
1 409 . 7 1 1 A 38 38 PRO CB C 38 31.882 31.933 -0.051 1
1 412 . 7 1 1 A 39 39 GLU H H 39 8.520 8.294 0.226 1
1 413 . 7 1 1 A 39 39 GLU HA H 39 4.126 4.165 -0.039 1
1 418 . 7 1 1 A 39 39 GLU C C 39 178.588 178.929 -0.341 1
1 419 . 7 1 1 A 39 39 GLU CA C 39 59.321 59.498 -0.177 1
1 420 . 7 1 1 A 39 39 GLU CB C 39 29.016 29.119 -0.103 1
1 422 . 7 1 1 A 39 39 GLU N N 39 116.621 118.124 -1.503 1
1 423 . 7 1 1 A 40 40 MET H H 40 7.707 8.046 -0.339 1
1 424 . 7 1 1 A 40 40 MET HA H 40 4.169 4.348 -0.179 1
1 431 . 7 1 1 A 40 40 MET C C 40 177.937 177.982 -0.045 1
1 432 . 7 1 1 A 40 40 MET CA C 40 58.076 57.612 0.464 1
1 433 . 7 1 1 A 40 40 MET CB C 40 33.752 32.240 1.512 1
1 436 . 7 1 1 A 40 40 MET N N 40 120.129 119.547 0.582 1
1 437 . 7 1 1 A 41 41 ALA H H 41 8.214 8.126 0.088 1
1 438 . 7 1 1 A 41 41 ALA HA H 41 4.148 4.005 0.143 1
1 442 . 7 1 1 A 41 41 ALA C C 41 179.237 179.165 0.072 1
1 443 . 7 1 1 A 41 41 ALA CA C 41 54.188 55.451 -1.263 1
1 444 . 7 1 1 A 41 41 ALA CB C 41 18.596 18.354 0.242 1
1 445 . 7 1 1 A 41 41 ALA N N 41 121.551 121.614 -0.063 1
1 446 . 7 1 1 A 42 42 GLU H H 42 7.823 7.810 0.013 1
1 447 . 7 1 1 A 42 42 GLU HA H 42 4.377 4.296 0.081 1
1 450 . 7 1 1 A 42 42 GLU C C 42 177.669 177.406 0.263 1
1 451 . 7 1 1 A 42 42 GLU CA C 42 57.775 57.297 0.478 1
1 452 . 7 1 1 A 42 42 GLU CB C 42 30.495 30.305 0.190 1
1 454 . 7 1 1 A 42 42 GLU N N 42 115.185 116.425 -1.240 1
1 455 . 7 1 1 A 43 43 ASN H H 43 7.817 7.630 0.187 1
1 456 . 7 1 1 A 43 43 ASN HA H 43 4.845 4.865 -0.020 1
1 461 . 7 1 1 A 43 43 ASN C C 43 174.634 175.145 -0.511 1
1 462 . 7 1 1 A 43 43 ASN CA C 43 54.343 53.861 0.482 1
1 463 . 7 1 1 A 43 43 ASN CB C 43 40.910 40.663 0.247 1
1 464 . 7 1 1 A 43 43 ASN N N 43 115.082 116.221 -1.139 1
1 466 . 7 1 1 A 44 44 GLU H H 44 8.140 7.741 0.399 1
1 467 . 7 1 1 A 44 44 GLU HA H 44 4.572 4.841 -0.269 1
1 471 . 7 1 1 A 44 44 GLU C C 44 172.191 173.640 -1.449 1
1 472 . 7 1 1 A 44 44 GLU CA C 44 55.221 54.459 0.762 1
1 473 . 7 1 1 A 44 44 GLU CB C 44 32.235 34.132 -1.897 1
1 475 . 7 1 1 A 44 44 GLU N N 44 119.186 117.216 1.970 1
1 476 . 7 1 1 A 45 45 ASP H H 45 8.392 8.687 -0.295 1
1 477 . 7 1 1 A 45 45 ASP HA H 45 5.044 4.921 0.123 1
1 480 . 7 1 1 A 45 45 ASP CA C 45 53.829 52.848 0.981 1
1 481 . 7 1 1 A 45 45 ASP CB C 45 41.271 42.541 -1.270 1
1 482 . 7 1 1 A 45 45 ASP N N 45 121.008 121.719 -0.711 1
1 483 . 7 1 1 A 46 46 TYR H H 46 9.307 8.964 0.343 1
1 484 . 7 1 1 A 46 46 TYR HA H 46 4.508 4.642 -0.134 1
1 489 . 7 1 1 A 46 46 TYR C C 46 172.490 174.269 -1.779 1
1 490 . 7 1 1 A 46 46 TYR CA C 46 58.416 56.989 1.427 1
1 491 . 7 1 1 A 46 46 TYR CB C 46 39.842 38.513 1.329 1
1 494 . 7 1 1 A 46 46 TYR N N 46 124.739 127.928 -3.189 1
1 495 . 7 1 1 A 47 47 ILE H H 47 7.204 8.151 -0.947 1
1 496 . 7 1 1 A 47 47 ILE HA H 47 4.464 4.269 0.195 1
1 506 . 7 1 1 A 47 47 ILE C C 47 174.754 175.170 -0.416 1
1 507 . 7 1 1 A 47 47 ILE CA C 47 58.308 60.039 -1.731 1
1 508 . 7 1 1 A 47 47 ILE CB C 47 37.997 39.447 -1.450 1
1 512 . 7 1 1 A 47 47 ILE N N 47 128.235 128.734 -0.499 1
1 513 . 7 1 1 A 48 48 CYS H H 48 9.441 8.228 1.213 1
1 514 . 7 1 1 A 48 48 CYS HA H 48 4.132 4.369 -0.237 1
1 517 . 7 1 1 A 48 48 CYS C C 48 175.259 175.415 -0.156 1
1 518 . 7 1 1 A 48 48 CYS CA C 48 58.247 56.294 1.953 1
1 519 . 7 1 1 A 48 48 CYS CB C 48 32.230 29.328 2.902 1
1 520 . 7 1 1 A 48 48 CYS N N 48 131.299 123.219 8.080 1
1 521 . 7 1 1 A 49 49 ILE H H 49 7.753 8.631 -0.878 1
1 522 . 7 1 1 A 49 49 ILE HA H 49 3.968 3.855 0.113 1
1 532 . 7 1 1 A 49 49 ILE C C 49 177.248 177.646 -0.398 1
1 533 . 7 1 1 A 49 49 ILE CA C 49 63.078 64.175 -1.097 1
1 534 . 7 1 1 A 49 49 ILE CB C 49 38.535 37.747 0.788 1
1 538 . 7 1 1 A 49 49 ILE N N 49 113.316 121.608 -8.292 1
1 539 . 7 1 1 A 50 50 ASN H H 50 8.884 7.864 1.020 1
1 540 . 7 1 1 A 50 50 ASN HA H 50 4.729 4.566 0.163 1
1 545 . 7 1 1 A 50 50 ASN C C 50 176.793 177.806 -1.013 1
1 546 . 7 1 1 A 50 50 ASN CA C 50 55.405 55.858 -0.453 1
1 547 . 7 1 1 A 50 50 ASN CB C 50 39.719 38.527 1.192 1
1 548 . 7 1 1 A 50 50 ASN N N 50 121.756 119.631 2.125 1
1 550 . 7 1 1 A 51 51 CYS H H 51 8.179 7.798 0.381 1
1 551 . 7 1 1 A 51 51 CYS HA H 51 4.121 4.365 -0.244 1
1 554 . 7 1 1 A 51 51 CYS C C 51 174.880 176.055 -1.175 1
1 555 . 7 1 1 A 51 51 CYS CA C 51 61.889 62.991 -1.102 1
1 556 . 7 1 1 A 51 51 CYS CB C 51 31.444 27.545 3.899 1
1 557 . 7 1 1 A 51 51 CYS N N 51 123.907 118.504 5.403 1
1 1 . 8 1 1 A 2 2 VAL H H 2 8.398 7.716 0.682 1
1 2 . 8 1 1 A 2 2 VAL HA H 2 5.045 4.729 0.316 1
1 10 . 8 1 1 A 2 2 VAL C C 2 175.547 175.776 -0.229 1
1 11 . 8 1 1 A 2 2 VAL CA C 2 60.781 60.408 0.373 1
1 12 . 8 1 1 A 2 2 VAL CB C 2 34.251 35.350 -1.099 1
1 15 . 8 1 1 A 3 3 CYS H H 3 9.217 9.048 0.169 1
1 16 . 8 1 1 A 3 3 CYS HA H 3 5.017 4.884 0.133 1
1 19 . 8 1 1 A 3 3 CYS C C 3 174.515 174.359 0.156 1
1 20 . 8 1 1 A 3 3 CYS CA C 3 57.354 57.611 -0.257 1
1 21 . 8 1 1 A 3 3 CYS CB C 3 31.812 28.850 2.962 1
1 22 . 8 1 1 A 3 3 CYS N N 3 128.514 126.569 1.945 1
1 23 . 8 1 1 A 4 4 ALA H H 4 7.577 8.150 -0.573 1
1 24 . 8 1 1 A 4 4 ALA HA H 4 4.294 4.831 -0.537 1
1 28 . 8 1 1 A 4 4 ALA C C 4 177.618 176.410 1.208 1
1 29 . 8 1 1 A 4 4 ALA CA C 4 52.672 50.475 2.197 1
1 30 . 8 1 1 A 4 4 ALA CB C 4 18.970 20.140 -1.170 1
1 31 . 8 1 1 A 4 4 ALA N N 4 121.274 123.314 -2.040 1
1 32 . 8 1 1 A 5 5 ALA H H 5 9.064 8.361 0.703 1
1 33 . 8 1 1 A 5 5 ALA HA H 5 4.553 4.924 -0.371 1
1 37 . 8 1 1 A 5 5 ALA C C 5 177.906 177.409 0.497 1
1 38 . 8 1 1 A 5 5 ALA CA C 5 53.048 52.193 0.855 1
1 39 . 8 1 1 A 5 5 ALA CB C 5 19.508 22.421 -2.913 1
1 40 . 8 1 1 A 5 5 ALA N N 5 125.546 124.807 0.739 1
1 41 . 8 1 1 A 6 6 GLN H H 6 9.013 8.713 0.300 1
1 42 . 8 1 1 A 6 6 GLN HA H 6 4.099 4.138 -0.039 1
1 48 . 8 1 1 A 6 6 GLN C C 6 176.725 176.406 0.319 1
1 49 . 8 1 1 A 6 6 GLN CA C 6 58.528 59.071 -0.543 1
1 50 . 8 1 1 A 6 6 GLN CB C 6 28.394 28.872 -0.478 1
1 52 . 8 1 1 A 6 6 GLN N N 6 123.087 122.213 0.874 1
1 54 . 8 1 1 A 7 7 ASN H H 7 8.406 7.988 0.418 1
1 55 . 8 1 1 A 7 7 ASN HA H 7 4.883 5.123 -0.240 1
1 59 . 8 1 1 A 7 7 ASN C C 7 173.875 173.479 0.396 1
1 60 . 8 1 1 A 7 7 ASN CA C 7 51.765 51.841 -0.076 1
1 61 . 8 1 1 A 7 7 ASN CB C 7 37.899 39.445 -1.546 1
1 62 . 8 1 1 A 7 7 ASN N N 7 115.683 116.684 -1.001 1
1 64 . 8 1 1 A 8 8 CYS H H 8 7.743 8.924 -1.181 1
1 65 . 8 1 1 A 8 8 CYS HA H 8 4.975 4.810 0.165 1
1 68 . 8 1 1 A 8 8 CYS C C 8 177.334 176.565 0.769 1
1 69 . 8 1 1 A 8 8 CYS CA C 8 59.497 57.586 1.911 1
1 70 . 8 1 1 A 8 8 CYS CB C 8 29.111 30.309 -1.198 1
1 71 . 8 1 1 A 8 8 CYS N N 8 122.794 126.383 -3.589 1
1 72 . 8 1 1 A 9 9 GLN H H 9 9.862 8.825 1.037 1
1 73 . 8 1 1 A 9 9 GLN HA H 9 4.190 4.146 0.044 1
1 80 . 8 1 1 A 9 9 GLN C C 9 175.014 175.150 -0.136 1
1 81 . 8 1 1 A 9 9 GLN CA C 9 56.768 55.911 0.857 1
1 82 . 8 1 1 A 9 9 GLN CB C 9 28.755 28.842 -0.087 1
1 84 . 8 1 1 A 9 9 GLN N N 9 133.013 127.081 5.932 1
1 86 . 8 1 1 A 10 10 ARG H H 10 10.074 7.719 2.355 1
1 87 . 8 1 1 A 10 10 ARG HA H 10 4.152 3.941 0.211 1
1 93 . 8 1 1 A 10 10 ARG CA C 10 55.345 56.913 -1.568 1
1 94 . 8 1 1 A 10 10 ARG CB C 10 27.843 28.850 -1.007 1
1 97 . 8 1 1 A 10 10 ARG N N 10 122.014 119.402 2.612 1
1 98 . 8 1 1 A 11 11 PRO HA H 11 4.278 4.694 -0.416 1
1 104 . 8 1 1 A 11 11 PRO C C 11 177.028 175.716 1.312 1
1 105 . 8 1 1 A 11 11 PRO CA C 11 62.703 62.110 0.593 1
1 106 . 8 1 1 A 11 11 PRO CB C 11 31.618 32.255 -0.637 1
1 109 . 8 1 1 A 12 12 CYS H H 12 8.488 8.461 0.027 1
1 110 . 8 1 1 A 12 12 CYS HA H 12 4.519 5.350 -0.831 1
1 113 . 8 1 1 A 12 12 CYS C C 12 174.690 173.872 0.818 1
1 114 . 8 1 1 A 12 12 CYS CA C 12 58.146 57.421 0.725 1
1 115 . 8 1 1 A 12 12 CYS CB C 12 28.174 30.147 -1.973 1
1 116 . 8 1 1 A 12 12 CYS N N 12 118.868 119.804 -0.936 1
1 117 . 8 1 1 A 13 13 LYS H H 13 7.827 8.663 -0.836 1
1 118 . 8 1 1 A 13 13 LYS HA H 13 4.231 4.885 -0.654 1
1 124 . 8 1 1 A 13 13 LYS C C 13 175.756 176.394 -0.638 1
1 125 . 8 1 1 A 13 13 LYS CA C 13 56.836 54.915 1.921 1
1 126 . 8 1 1 A 13 13 LYS CB C 13 33.502 36.836 -3.334 1
1 130 . 8 1 1 A 13 13 LYS N N 13 122.032 124.972 -2.940 1
1 131 . 8 1 1 A 14 14 ASP H H 14 8.348 8.673 -0.325 1
1 132 . 8 1 1 A 14 14 ASP HA H 14 4.429 4.619 -0.190 1
1 135 . 8 1 1 A 14 14 ASP C C 14 176.011 175.889 0.122 1
1 136 . 8 1 1 A 14 14 ASP CA C 14 55.877 55.347 0.530 1
1 137 . 8 1 1 A 14 14 ASP CB C 14 40.879 41.265 -0.386 1
1 138 . 8 1 1 A 14 14 ASP N N 14 119.433 121.439 -2.006 1
1 139 . 8 1 1 A 15 15 LYS H H 15 7.898 7.896 0.002 1
1 140 . 8 1 1 A 15 15 LYS HA H 15 4.448 4.674 -0.226 1
1 146 . 8 1 1 A 15 15 LYS C C 15 175.094 175.296 -0.202 1
1 147 . 8 1 1 A 15 15 LYS CA C 15 55.647 55.330 0.317 1
1 148 . 8 1 1 A 15 15 LYS CB C 15 32.563 33.559 -0.996 1
1 151 . 8 1 1 A 15 15 LYS N N 15 119.751 119.162 0.589 1
1 152 . 8 1 1 A 16 16 VAL H H 16 7.977 8.399 -0.422 1
1 153 . 8 1 1 A 16 16 VAL HA H 16 3.990 4.525 -0.535 1
1 161 . 8 1 1 A 16 16 VAL C C 16 173.871 174.340 -0.469 1
1 162 . 8 1 1 A 16 16 VAL CA C 16 61.261 60.873 0.388 1
1 163 . 8 1 1 A 16 16 VAL CB C 16 33.377 34.056 -0.679 1
1 166 . 8 1 1 A 16 16 VAL N N 16 122.186 123.317 -1.131 1
1 167 . 8 1 1 A 17 17 ASP H H 17 7.749 8.970 -1.221 1
1 168 . 8 1 1 A 17 17 ASP HA H 17 5.082 4.955 0.127 1
1 171 . 8 1 1 A 17 17 ASP C C 17 176.746 176.303 0.443 1
1 172 . 8 1 1 A 17 17 ASP CA C 17 54.120 54.857 -0.737 1
1 173 . 8 1 1 A 17 17 ASP CB C 17 42.721 41.181 1.540 1
1 174 . 8 1 1 A 17 17 ASP N N 17 122.699 128.674 -5.975 1
1 175 . 8 1 1 A 18 18 TRP H H 18 9.513 9.271 0.242 1
1 176 . 8 1 1 A 18 18 TRP HA H 18 5.604 5.489 0.115 1
1 185 . 8 1 1 A 18 18 TRP C C 18 176.365 175.442 0.923 1
1 186 . 8 1 1 A 18 18 TRP CA C 18 57.700 55.998 1.702 1
1 187 . 8 1 1 A 18 18 TRP CB C 18 34.107 32.441 1.666 1
1 193 . 8 1 1 A 18 18 TRP N N 18 123.857 122.205 1.652 1
1 195 . 8 1 1 A 19 19 VAL H H 19 10.238 9.053 1.185 1
1 196 . 8 1 1 A 19 19 VAL HA H 19 4.670 4.939 -0.269 1
1 204 . 8 1 1 A 19 19 VAL CA C 19 61.089 59.218 1.871 1
1 205 . 8 1 1 A 19 19 VAL CB C 19 35.518 34.899 0.619 1
1 208 . 8 1 1 A 19 19 VAL N N 19 121.049 116.311 4.738 1
1 209 . 8 1 1 A 20 20 GLN H H 20 8.584 8.684 -0.100 1
1 210 . 8 1 1 A 20 20 GLN HA H 20 4.635 5.314 -0.679 1
1 217 . 8 1 1 A 20 20 GLN C C 20 175.662 174.814 0.848 1
1 218 . 8 1 1 A 20 20 GLN CA C 20 53.063 53.563 -0.500 1
1 219 . 8 1 1 A 20 20 GLN CB C 20 29.098 31.468 -2.370 1
1 221 . 8 1 1 A 20 20 GLN N N 20 130.340 122.442 7.898 1
1 223 . 8 1 1 A 21 21 CYS H H 21 8.740 8.783 -0.043 1
1 224 . 8 1 1 A 21 21 CYS HA H 21 4.588 5.304 -0.716 1
1 227 . 8 1 1 A 21 21 CYS CA C 21 60.617 58.451 2.166 1
1 228 . 8 1 1 A 21 21 CYS CB C 21 31.913 28.525 3.388 1
1 229 . 8 1 1 A 21 21 CYS N N 21 126.319 123.776 2.543 1
1 230 . 8 1 1 A 22 22 ASP H H 22 9.742 8.438 1.304 1
1 231 . 8 1 1 A 22 22 ASP HA H 22 5.079 4.728 0.351 1
1 234 . 8 1 1 A 22 22 ASP C C 22 178.015 176.787 1.228 1
1 235 . 8 1 1 A 22 22 ASP CA C 22 55.185 54.289 0.896 1
1 236 . 8 1 1 A 22 22 ASP CB C 22 42.664 40.989 1.675 1
1 237 . 8 1 1 A 22 22 ASP N N 22 130.603 125.913 4.690 1
1 238 . 8 1 1 A 23 23 GLY H H 23 10.762 8.093 2.669 1
1 239 . 8 1 1 A 23 23 GLY HA2 H 23 4.156 3.898 0.258 1
1 240 . 8 1 1 A 23 23 GLY HA3 H 23 3.536 3.905 -0.369 1
1 241 . 8 1 1 A 23 23 GLY C C 23 173.898 174.484 -0.586 1
1 242 . 8 1 1 A 23 23 GLY CA C 23 45.351 45.627 -0.276 1
1 243 . 8 1 1 A 23 23 GLY N N 23 116.158 108.155 8.003 1
1 244 . 8 1 1 A 24 24 GLY H H 24 8.904 7.431 1.473 1
1 245 . 8 1 1 A 24 24 GLY HA2 H 24 3.499 4.038 -0.539 1
1 246 . 8 1 1 A 24 24 GLY HA3 H 24 4.740 4.039 0.701 1
1 247 . 8 1 1 A 24 24 GLY C C 24 175.291 175.626 -0.335 1
1 248 . 8 1 1 A 24 24 GLY CA C 24 45.209 45.167 0.042 1
1 249 . 8 1 1 A 24 24 GLY N N 24 109.769 106.867 2.902 1
1 250 . 8 1 1 A 25 25 CYS H H 25 7.639 8.121 -0.482 1
1 251 . 8 1 1 A 25 25 CYS HA H 25 4.465 4.504 -0.039 1
1 254 . 8 1 1 A 25 25 CYS C C 25 175.738 174.357 1.381 1
1 255 . 8 1 1 A 25 25 CYS CA C 25 60.097 60.007 0.090 1
1 256 . 8 1 1 A 25 25 CYS CB C 25 30.248 28.723 1.525 1
1 257 . 8 1 1 A 25 25 CYS N N 25 119.776 119.900 -0.124 1
1 258 . 8 1 1 A 26 26 ASP H H 26 8.209 7.479 0.730 1
1 259 . 8 1 1 A 26 26 ASP HA H 26 4.283 4.206 0.077 1
1 261 . 8 1 1 A 26 26 ASP C C 26 175.280 174.991 0.289 1
1 262 . 8 1 1 A 26 26 ASP CA C 26 56.107 55.641 0.466 1
1 263 . 8 1 1 A 26 26 ASP CB C 26 39.958 39.335 0.623 1
1 264 . 8 1 1 A 26 26 ASP N N 26 117.501 117.698 -0.197 1
1 265 . 8 1 1 A 27 27 GLU H H 27 9.023 8.013 1.010 1
1 266 . 8 1 1 A 27 27 GLU HA H 27 4.372 4.426 -0.054 1
1 271 . 8 1 1 A 27 27 GLU C C 27 174.686 175.155 -0.469 1
1 272 . 8 1 1 A 27 27 GLU CA C 27 58.185 55.798 2.387 1
1 273 . 8 1 1 A 27 27 GLU CB C 27 30.552 30.807 -0.255 1
1 275 . 8 1 1 A 27 27 GLU N N 27 123.133 117.656 5.477 1
1 276 . 8 1 1 A 28 28 TRP H H 28 8.452 8.913 -0.461 1
1 277 . 8 1 1 A 28 28 TRP HA H 28 4.967 5.988 -1.021 1
1 286 . 8 1 1 A 28 28 TRP C C 28 175.501 175.477 0.024 1
1 287 . 8 1 1 A 28 28 TRP CA C 28 57.211 54.807 2.404 1
1 288 . 8 1 1 A 28 28 TRP CB C 28 31.524 32.398 -0.874 1
1 294 . 8 1 1 A 28 28 TRP N N 28 118.126 120.656 -2.530 1
1 296 . 8 1 1 A 29 29 PHE H H 29 9.699 9.901 -0.202 1
1 297 . 8 1 1 A 29 29 PHE HA H 29 4.994 5.103 -0.109 1
1 303 . 8 1 1 A 29 29 PHE C C 29 176.176 175.260 0.916 1
1 304 . 8 1 1 A 29 29 PHE CA C 29 56.712 56.447 0.265 1
1 305 . 8 1 1 A 29 29 PHE CB C 29 43.056 42.378 0.678 1
1 309 . 8 1 1 A 29 29 PHE N N 29 119.283 122.563 -3.280 1
1 310 . 8 1 1 A 30 30 HIS H H 30 9.676 8.242 1.434 1
1 311 . 8 1 1 A 30 30 HIS HA H 30 4.400 4.420 -0.020 1
1 316 . 8 1 1 A 30 30 HIS C C 30 177.509 176.305 1.204 1
1 317 . 8 1 1 A 30 30 HIS CA C 30 56.723 55.614 1.109 1
1 318 . 8 1 1 A 30 30 HIS CB C 30 29.686 30.507 -0.821 1
1 320 . 8 1 1 A 30 30 HIS N N 30 124.436 119.268 5.168 1
1 321 . 8 1 1 A 31 31 GLN H H 31 8.537 8.847 -0.310 1
1 322 . 8 1 1 A 31 31 GLN HA H 31 3.486 3.789 -0.303 1
1 329 . 8 1 1 A 31 31 GLN C C 31 179.005 178.360 0.645 1
1 330 . 8 1 1 A 31 31 GLN CA C 31 60.606 59.355 1.251 1
1 331 . 8 1 1 A 31 31 GLN CB C 31 26.624 28.344 -1.720 1
1 333 . 8 1 1 A 31 31 GLN N N 31 124.297 122.784 1.513 1
1 335 . 8 1 1 A 32 32 VAL H H 32 8.688 8.084 0.604 1
1 336 . 8 1 1 A 32 32 VAL HA H 32 4.060 3.790 0.270 1
1 344 . 8 1 1 A 32 32 VAL C C 32 178.001 177.702 0.299 1
1 345 . 8 1 1 A 32 32 VAL CA C 32 64.333 64.691 -0.358 1
1 346 . 8 1 1 A 32 32 VAL CB C 32 31.703 31.199 0.504 1
1 349 . 8 1 1 A 32 32 VAL N N 32 113.575 119.264 -5.689 1
1 350 . 8 1 1 A 33 33 CYS H H 33 6.893 8.107 -1.214 1
1 351 . 8 1 1 A 33 33 CYS HA H 33 4.151 4.242 -0.091 1
1 354 . 8 1 1 A 33 33 CYS C C 33 177.137 175.616 1.521 1
1 355 . 8 1 1 A 33 33 CYS CA C 33 62.650 61.266 1.384 1
1 356 . 8 1 1 A 33 33 CYS CB C 33 29.399 27.271 2.128 1
1 357 . 8 1 1 A 33 33 CYS N N 33 120.368 119.627 0.741 1
1 358 . 8 1 1 A 34 34 VAL H H 34 7.137 7.732 -0.595 1
1 359 . 8 1 1 A 34 34 VAL HA H 34 4.564 4.330 0.234 1
1 367 . 8 1 1 A 34 34 VAL C C 34 175.969 176.064 -0.095 1
1 368 . 8 1 1 A 34 34 VAL CA C 34 60.138 62.271 -2.133 1
1 369 . 8 1 1 A 34 34 VAL CB C 34 31.887 31.821 0.066 1
1 372 . 8 1 1 A 34 34 VAL N N 34 106.615 119.067 -12.452 1
1 373 . 8 1 1 A 35 35 GLY H H 35 7.506 7.886 -0.380 1
1 374 . 8 1 1 A 35 35 GLY HA2 H 35 3.864 3.955 -0.091 1
1 375 . 8 1 1 A 35 35 GLY HA3 H 35 3.940 3.965 -0.025 1
1 376 . 8 1 1 A 35 35 GLY C C 35 174.670 174.739 -0.069 1
1 377 . 8 1 1 A 35 35 GLY CA C 35 47.029 46.694 0.335 1
1 378 . 8 1 1 A 35 35 GLY N N 35 110.034 111.146 -1.112 1
1 379 . 8 1 1 A 36 36 VAL H H 36 7.621 8.555 -0.934 1
1 380 . 8 1 1 A 36 36 VAL HA H 36 4.300 4.296 0.004 1
1 388 . 8 1 1 A 36 36 VAL C C 36 174.260 175.872 -1.612 1
1 389 . 8 1 1 A 36 36 VAL CA C 36 61.084 61.784 -0.700 1
1 390 . 8 1 1 A 36 36 VAL CB C 36 34.059 32.933 1.126 1
1 393 . 8 1 1 A 36 36 VAL N N 36 119.403 119.984 -0.581 1
1 394 . 8 1 1 A 37 37 SER H H 37 8.007 8.989 -0.982 1
1 395 . 8 1 1 A 37 37 SER HA H 37 4.861 5.033 -0.172 1
1 398 . 8 1 1 A 37 37 SER CA C 37 55.564 56.025 -0.461 1
1 399 . 8 1 1 A 37 37 SER CB C 37 63.789 63.774 0.015 1
1 400 . 8 1 1 A 37 37 SER N N 37 122.814 120.188 2.626 1
1 401 . 8 1 1 A 38 38 PRO HA H 38 4.337 4.765 -0.428 1
1 407 . 8 1 1 A 38 38 PRO C C 38 179.162 177.947 1.215 1
1 408 . 8 1 1 A 38 38 PRO CA C 38 65.551 64.979 0.572 1
1 409 . 8 1 1 A 38 38 PRO CB C 38 31.882 32.004 -0.122 1
1 412 . 8 1 1 A 39 39 GLU H H 39 8.520 8.273 0.247 1
1 413 . 8 1 1 A 39 39 GLU HA H 39 4.126 4.159 -0.033 1
1 418 . 8 1 1 A 39 39 GLU C C 39 178.588 178.872 -0.284 1
1 419 . 8 1 1 A 39 39 GLU CA C 39 59.321 59.372 -0.051 1
1 420 . 8 1 1 A 39 39 GLU CB C 39 29.016 29.063 -0.047 1
1 422 . 8 1 1 A 39 39 GLU N N 39 116.621 118.088 -1.467 1
1 423 . 8 1 1 A 40 40 MET H H 40 7.707 8.016 -0.309 1
1 424 . 8 1 1 A 40 40 MET HA H 40 4.169 4.424 -0.255 1
1 431 . 8 1 1 A 40 40 MET C C 40 177.937 178.027 -0.090 1
1 432 . 8 1 1 A 40 40 MET CA C 40 58.076 57.311 0.765 1
1 433 . 8 1 1 A 40 40 MET CB C 40 33.752 32.113 1.639 1
1 436 . 8 1 1 A 40 40 MET N N 40 120.129 119.680 0.449 1
1 437 . 8 1 1 A 41 41 ALA H H 41 8.214 7.953 0.261 1
1 438 . 8 1 1 A 41 41 ALA HA H 41 4.148 3.996 0.152 1
1 442 . 8 1 1 A 41 41 ALA C C 41 179.237 179.139 0.098 1
1 443 . 8 1 1 A 41 41 ALA CA C 41 54.188 55.544 -1.356 1
1 444 . 8 1 1 A 41 41 ALA CB C 41 18.596 18.628 -0.032 1
1 445 . 8 1 1 A 41 41 ALA N N 41 121.551 121.616 -0.065 1
1 446 . 8 1 1 A 42 42 GLU H H 42 7.823 8.235 -0.412 1
1 447 . 8 1 1 A 42 42 GLU HA H 42 4.377 4.209 0.168 1
1 450 . 8 1 1 A 42 42 GLU C C 42 177.669 177.521 0.148 1
1 451 . 8 1 1 A 42 42 GLU CA C 42 57.775 57.810 -0.035 1
1 452 . 8 1 1 A 42 42 GLU CB C 42 30.495 30.099 0.396 1
1 454 . 8 1 1 A 42 42 GLU N N 42 115.185 117.392 -2.207 1
1 455 . 8 1 1 A 43 43 ASN H H 43 7.817 7.567 0.250 1
1 456 . 8 1 1 A 43 43 ASN HA H 43 4.845 4.845 0.000 1
1 461 . 8 1 1 A 43 43 ASN C C 43 174.634 175.115 -0.481 1
1 462 . 8 1 1 A 43 43 ASN CA C 43 54.343 53.697 0.646 1
1 463 . 8 1 1 A 43 43 ASN CB C 43 40.910 41.030 -0.120 1
1 464 . 8 1 1 A 43 43 ASN N N 43 115.082 115.765 -0.683 1
1 466 . 8 1 1 A 44 44 GLU H H 44 8.140 8.052 0.088 1
1 467 . 8 1 1 A 44 44 GLU HA H 44 4.572 4.773 -0.201 1
1 471 . 8 1 1 A 44 44 GLU C C 44 172.191 175.258 -3.067 1
1 472 . 8 1 1 A 44 44 GLU CA C 44 55.221 54.585 0.636 1
1 473 . 8 1 1 A 44 44 GLU CB C 44 32.235 34.826 -2.591 1
1 475 . 8 1 1 A 44 44 GLU N N 44 119.186 116.980 2.206 1
1 476 . 8 1 1 A 45 45 ASP H H 45 8.392 8.530 -0.138 1
1 477 . 8 1 1 A 45 45 ASP HA H 45 5.044 5.001 0.043 1
1 480 . 8 1 1 A 45 45 ASP CA C 45 53.829 54.073 -0.244 1
1 481 . 8 1 1 A 45 45 ASP CB C 45 41.271 41.644 -0.373 1
1 482 . 8 1 1 A 45 45 ASP N N 45 121.008 121.016 -0.008 1
1 483 . 8 1 1 A 46 46 TYR H H 46 9.307 8.976 0.331 1
1 484 . 8 1 1 A 46 46 TYR HA H 46 4.508 4.632 -0.124 1
1 489 . 8 1 1 A 46 46 TYR C C 46 172.490 174.140 -1.650 1
1 490 . 8 1 1 A 46 46 TYR CA C 46 58.416 57.441 0.975 1
1 491 . 8 1 1 A 46 46 TYR CB C 46 39.842 38.643 1.199 1
1 494 . 8 1 1 A 46 46 TYR N N 46 124.739 126.072 -1.333 1
1 495 . 8 1 1 A 47 47 ILE H H 47 7.204 8.742 -1.538 1
1 496 . 8 1 1 A 47 47 ILE HA H 47 4.464 4.702 -0.238 1
1 506 . 8 1 1 A 47 47 ILE C C 47 174.754 175.080 -0.326 1
1 507 . 8 1 1 A 47 47 ILE CA C 47 58.308 59.322 -1.014 1
1 508 . 8 1 1 A 47 47 ILE CB C 47 37.997 40.318 -2.321 1
1 512 . 8 1 1 A 47 47 ILE N N 47 128.235 127.690 0.545 1
1 513 . 8 1 1 A 48 48 CYS H H 48 9.441 8.126 1.315 1
1 514 . 8 1 1 A 48 48 CYS HA H 48 4.132 4.454 -0.322 1
1 517 . 8 1 1 A 48 48 CYS C C 48 175.259 175.330 -0.071 1
1 518 . 8 1 1 A 48 48 CYS CA C 48 58.247 56.076 2.171 1
1 519 . 8 1 1 A 48 48 CYS CB C 48 32.230 29.781 2.449 1
1 520 . 8 1 1 A 48 48 CYS N N 48 131.299 122.414 8.885 1
1 521 . 8 1 1 A 49 49 ILE H H 49 7.753 8.576 -0.823 1
1 522 . 8 1 1 A 49 49 ILE HA H 49 3.968 3.833 0.135 1
1 532 . 8 1 1 A 49 49 ILE C C 49 177.248 177.627 -0.379 1
1 533 . 8 1 1 A 49 49 ILE CA C 49 63.078 64.057 -0.979 1
1 534 . 8 1 1 A 49 49 ILE CB C 49 38.535 37.799 0.736 1
1 538 . 8 1 1 A 49 49 ILE N N 49 113.316 121.607 -8.291 1
1 539 . 8 1 1 A 50 50 ASN H H 50 8.884 7.803 1.081 1
1 540 . 8 1 1 A 50 50 ASN HA H 50 4.729 4.585 0.144 1
1 545 . 8 1 1 A 50 50 ASN C C 50 176.793 177.933 -1.140 1
1 546 . 8 1 1 A 50 50 ASN CA C 50 55.405 55.742 -0.337 1
1 547 . 8 1 1 A 50 50 ASN CB C 50 39.719 38.275 1.444 1
1 548 . 8 1 1 A 50 50 ASN N N 50 121.756 119.777 1.979 1
1 550 . 8 1 1 A 51 51 CYS H H 51 8.179 7.900 0.279 1
1 551 . 8 1 1 A 51 51 CYS HA H 51 4.121 4.338 -0.217 1
1 554 . 8 1 1 A 51 51 CYS C C 51 174.880 176.619 -1.739 1
1 555 . 8 1 1 A 51 51 CYS CA C 51 61.889 63.502 -1.613 1
1 556 . 8 1 1 A 51 51 CYS CB C 51 31.444 27.442 4.002 1
1 557 . 8 1 1 A 51 51 CYS N N 51 123.907 118.583 5.324 1
1 1 . 9 1 1 A 2 2 VAL H H 2 8.398 8.761 -0.363 1
1 2 . 9 1 1 A 2 2 VAL HA H 2 5.045 4.815 0.230 1
1 10 . 9 1 1 A 2 2 VAL C C 2 175.547 175.476 0.071 1
1 11 . 9 1 1 A 2 2 VAL CA C 2 60.781 60.604 0.177 1
1 12 . 9 1 1 A 2 2 VAL CB C 2 34.251 34.849 -0.598 1
1 15 . 9 1 1 A 3 3 CYS H H 3 9.217 9.131 0.086 1
1 16 . 9 1 1 A 3 3 CYS HA H 3 5.017 5.111 -0.094 1
1 19 . 9 1 1 A 3 3 CYS C C 3 174.515 174.540 -0.025 1
1 20 . 9 1 1 A 3 3 CYS CA C 3 57.354 56.990 0.364 1
1 21 . 9 1 1 A 3 3 CYS CB C 3 31.812 29.425 2.387 1
1 22 . 9 1 1 A 3 3 CYS N N 3 128.514 125.120 3.394 1
1 23 . 9 1 1 A 4 4 ALA H H 4 7.577 8.046 -0.469 1
1 24 . 9 1 1 A 4 4 ALA HA H 4 4.294 4.961 -0.667 1
1 28 . 9 1 1 A 4 4 ALA C C 4 177.618 176.440 1.178 1
1 29 . 9 1 1 A 4 4 ALA CA C 4 52.672 50.435 2.237 1
1 30 . 9 1 1 A 4 4 ALA CB C 4 18.970 20.403 -1.433 1
1 31 . 9 1 1 A 4 4 ALA N N 4 121.274 123.104 -1.830 1
1 32 . 9 1 1 A 5 5 ALA H H 5 9.064 8.330 0.734 1
1 33 . 9 1 1 A 5 5 ALA HA H 5 4.553 4.957 -0.404 1
1 37 . 9 1 1 A 5 5 ALA C C 5 177.906 177.323 0.583 1
1 38 . 9 1 1 A 5 5 ALA CA C 5 53.048 51.587 1.461 1
1 39 . 9 1 1 A 5 5 ALA CB C 5 19.508 22.217 -2.709 1
1 40 . 9 1 1 A 5 5 ALA N N 5 125.546 124.110 1.436 1
1 41 . 9 1 1 A 6 6 GLN H H 6 9.013 8.953 0.060 1
1 42 . 9 1 1 A 6 6 GLN HA H 6 4.099 4.054 0.045 1
1 48 . 9 1 1 A 6 6 GLN C C 6 176.725 175.617 1.108 1
1 49 . 9 1 1 A 6 6 GLN CA C 6 58.528 58.771 -0.243 1
1 50 . 9 1 1 A 6 6 GLN CB C 6 28.394 28.549 -0.155 1
1 52 . 9 1 1 A 6 6 GLN N N 6 123.087 120.456 2.631 1
1 54 . 9 1 1 A 7 7 ASN H H 7 8.406 7.997 0.409 1
1 55 . 9 1 1 A 7 7 ASN HA H 7 4.883 5.072 -0.189 1
1 59 . 9 1 1 A 7 7 ASN C C 7 173.875 173.372 0.503 1
1 60 . 9 1 1 A 7 7 ASN CA C 7 51.765 52.362 -0.597 1
1 61 . 9 1 1 A 7 7 ASN CB C 7 37.899 40.139 -2.240 1
1 62 . 9 1 1 A 7 7 ASN N N 7 115.683 116.379 -0.696 1
1 64 . 9 1 1 A 8 8 CYS H H 8 7.743 8.841 -1.098 1
1 65 . 9 1 1 A 8 8 CYS HA H 8 4.975 4.758 0.217 1
1 68 . 9 1 1 A 8 8 CYS C C 8 177.334 176.111 1.223 1
1 69 . 9 1 1 A 8 8 CYS CA C 8 59.497 57.332 2.165 1
1 70 . 9 1 1 A 8 8 CYS CB C 8 29.111 29.346 -0.235 1
1 71 . 9 1 1 A 8 8 CYS N N 8 122.794 126.533 -3.739 1
1 72 . 9 1 1 A 9 9 GLN H H 9 9.862 8.833 1.029 1
1 73 . 9 1 1 A 9 9 GLN HA H 9 4.190 4.125 0.065 1
1 80 . 9 1 1 A 9 9 GLN C C 9 175.014 175.086 -0.072 1
1 81 . 9 1 1 A 9 9 GLN CA C 9 56.768 56.019 0.749 1
1 82 . 9 1 1 A 9 9 GLN CB C 9 28.755 28.783 -0.028 1
1 84 . 9 1 1 A 9 9 GLN N N 9 133.013 127.207 5.806 1
1 86 . 9 1 1 A 10 10 ARG H H 10 10.074 7.417 2.657 1
1 87 . 9 1 1 A 10 10 ARG HA H 10 4.152 3.914 0.238 1
1 93 . 9 1 1 A 10 10 ARG CA C 10 55.345 56.297 -0.952 1
1 94 . 9 1 1 A 10 10 ARG CB C 10 27.843 28.353 -0.510 1
1 97 . 9 1 1 A 10 10 ARG N N 10 122.014 115.651 6.363 1
1 98 . 9 1 1 A 11 11 PRO HA H 11 4.278 4.474 -0.196 1
1 104 . 9 1 1 A 11 11 PRO C C 11 177.028 175.822 1.206 1
1 105 . 9 1 1 A 11 11 PRO CA C 11 62.703 62.628 0.075 1
1 106 . 9 1 1 A 11 11 PRO CB C 11 31.618 32.039 -0.421 1
1 109 . 9 1 1 A 12 12 CYS H H 12 8.488 8.516 -0.028 1
1 110 . 9 1 1 A 12 12 CYS HA H 12 4.519 5.224 -0.705 1
1 113 . 9 1 1 A 12 12 CYS C C 12 174.690 174.194 0.496 1
1 114 . 9 1 1 A 12 12 CYS CA C 12 58.146 57.470 0.676 1
1 115 . 9 1 1 A 12 12 CYS CB C 12 28.174 28.862 -0.688 1
1 116 . 9 1 1 A 12 12 CYS N N 12 118.868 122.377 -3.509 1
1 117 . 9 1 1 A 13 13 LYS H H 13 7.827 8.519 -0.692 1
1 118 . 9 1 1 A 13 13 LYS HA H 13 4.231 4.816 -0.585 1
1 124 . 9 1 1 A 13 13 LYS C C 13 175.756 176.335 -0.579 1
1 125 . 9 1 1 A 13 13 LYS CA C 13 56.836 54.930 1.906 1
1 126 . 9 1 1 A 13 13 LYS CB C 13 33.502 35.857 -2.355 1
1 130 . 9 1 1 A 13 13 LYS N N 13 122.032 125.010 -2.978 1
1 131 . 9 1 1 A 14 14 ASP H H 14 8.348 8.599 -0.251 1
1 132 . 9 1 1 A 14 14 ASP HA H 14 4.429 4.498 -0.069 1
1 135 . 9 1 1 A 14 14 ASP C C 14 176.011 177.201 -1.190 1
1 136 . 9 1 1 A 14 14 ASP CA C 14 55.877 57.299 -1.422 1
1 137 . 9 1 1 A 14 14 ASP CB C 14 40.879 41.220 -0.341 1
1 138 . 9 1 1 A 14 14 ASP N N 14 119.433 121.505 -2.072 1
1 139 . 9 1 1 A 15 15 LYS H H 15 7.898 7.757 0.141 1
1 140 . 9 1 1 A 15 15 LYS HA H 15 4.448 4.507 -0.059 1
1 146 . 9 1 1 A 15 15 LYS C C 15 175.094 175.916 -0.822 1
1 147 . 9 1 1 A 15 15 LYS CA C 15 55.647 56.123 -0.476 1
1 148 . 9 1 1 A 15 15 LYS CB C 15 32.563 32.027 0.536 1
1 151 . 9 1 1 A 15 15 LYS N N 15 119.751 118.334 1.417 1
1 152 . 9 1 1 A 16 16 VAL H H 16 7.977 7.906 0.071 1
1 153 . 9 1 1 A 16 16 VAL HA H 16 3.990 4.587 -0.597 1
1 161 . 9 1 1 A 16 16 VAL C C 16 173.871 174.099 -0.228 1
1 162 . 9 1 1 A 16 16 VAL CA C 16 61.261 60.423 0.838 1
1 163 . 9 1 1 A 16 16 VAL CB C 16 33.377 34.472 -1.095 1
1 166 . 9 1 1 A 16 16 VAL N N 16 122.186 122.593 -0.407 1
1 167 . 9 1 1 A 17 17 ASP H H 17 7.749 9.004 -1.255 1
1 168 . 9 1 1 A 17 17 ASP HA H 17 5.082 5.208 -0.126 1
1 171 . 9 1 1 A 17 17 ASP C C 17 176.746 176.306 0.440 1
1 172 . 9 1 1 A 17 17 ASP CA C 17 54.120 54.416 -0.296 1
1 173 . 9 1 1 A 17 17 ASP CB C 17 42.721 41.597 1.124 1
1 174 . 9 1 1 A 17 17 ASP N N 17 122.699 127.851 -5.152 1
1 175 . 9 1 1 A 18 18 TRP H H 18 9.513 9.354 0.159 1
1 176 . 9 1 1 A 18 18 TRP HA H 18 5.604 5.481 0.123 1
1 185 . 9 1 1 A 18 18 TRP C C 18 176.365 175.243 1.122 1
1 186 . 9 1 1 A 18 18 TRP CA C 18 57.700 55.989 1.711 1
1 187 . 9 1 1 A 18 18 TRP CB C 18 34.107 32.331 1.776 1
1 193 . 9 1 1 A 18 18 TRP N N 18 123.857 123.068 0.789 1
1 195 . 9 1 1 A 19 19 VAL H H 19 10.238 9.070 1.168 1
1 196 . 9 1 1 A 19 19 VAL HA H 19 4.670 4.852 -0.182 1
1 204 . 9 1 1 A 19 19 VAL CA C 19 61.089 59.357 1.732 1
1 205 . 9 1 1 A 19 19 VAL CB C 19 35.518 34.846 0.672 1
1 208 . 9 1 1 A 19 19 VAL N N 19 121.049 116.292 4.757 1
1 209 . 9 1 1 A 20 20 GLN H H 20 8.584 8.700 -0.116 1
1 210 . 9 1 1 A 20 20 GLN HA H 20 4.635 5.339 -0.704 1
1 217 . 9 1 1 A 20 20 GLN C C 20 175.662 175.221 0.441 1
1 218 . 9 1 1 A 20 20 GLN CA C 20 53.063 53.740 -0.677 1
1 219 . 9 1 1 A 20 20 GLN CB C 20 29.098 31.107 -2.009 1
1 221 . 9 1 1 A 20 20 GLN N N 20 130.340 123.193 7.147 1
1 223 . 9 1 1 A 21 21 CYS H H 21 8.740 8.814 -0.074 1
1 224 . 9 1 1 A 21 21 CYS HA H 21 4.588 5.072 -0.484 1
1 227 . 9 1 1 A 21 21 CYS CA C 21 60.617 58.716 1.901 1
1 228 . 9 1 1 A 21 21 CYS CB C 21 31.913 28.583 3.330 1
1 229 . 9 1 1 A 21 21 CYS N N 21 126.319 123.985 2.334 1
1 230 . 9 1 1 A 22 22 ASP H H 22 9.742 8.927 0.815 1
1 231 . 9 1 1 A 22 22 ASP HA H 22 5.079 4.775 0.304 1
1 234 . 9 1 1 A 22 22 ASP C C 22 178.015 176.945 1.070 1
1 235 . 9 1 1 A 22 22 ASP CA C 22 55.185 54.319 0.866 1
1 236 . 9 1 1 A 22 22 ASP CB C 22 42.664 41.214 1.450 1
1 237 . 9 1 1 A 22 22 ASP N N 22 130.603 125.459 5.144 1
1 238 . 9 1 1 A 23 23 GLY H H 23 10.762 8.049 2.713 1
1 239 . 9 1 1 A 23 23 GLY HA2 H 23 4.156 3.888 0.268 1
1 240 . 9 1 1 A 23 23 GLY HA3 H 23 3.536 3.903 -0.367 1
1 241 . 9 1 1 A 23 23 GLY C C 23 173.898 174.493 -0.595 1
1 242 . 9 1 1 A 23 23 GLY CA C 23 45.351 45.533 -0.182 1
1 243 . 9 1 1 A 23 23 GLY N N 23 116.158 108.187 7.971 1
1 244 . 9 1 1 A 24 24 GLY H H 24 8.904 7.758 1.146 1
1 245 . 9 1 1 A 24 24 GLY HA2 H 24 3.499 4.021 -0.522 1
1 246 . 9 1 1 A 24 24 GLY HA3 H 24 4.740 4.021 0.719 1
1 247 . 9 1 1 A 24 24 GLY C C 24 175.291 175.814 -0.523 1
1 248 . 9 1 1 A 24 24 GLY CA C 24 45.209 45.412 -0.203 1
1 249 . 9 1 1 A 24 24 GLY N N 24 109.769 106.801 2.968 1
1 250 . 9 1 1 A 25 25 CYS H H 25 7.639 8.203 -0.564 1
1 251 . 9 1 1 A 25 25 CYS HA H 25 4.465 4.510 -0.045 1
1 254 . 9 1 1 A 25 25 CYS C C 25 175.738 174.272 1.466 1
1 255 . 9 1 1 A 25 25 CYS CA C 25 60.097 60.451 -0.354 1
1 256 . 9 1 1 A 25 25 CYS CB C 25 30.248 28.572 1.676 1
1 257 . 9 1 1 A 25 25 CYS N N 25 119.776 119.808 -0.032 1
1 258 . 9 1 1 A 26 26 ASP H H 26 8.209 7.672 0.537 1
1 259 . 9 1 1 A 26 26 ASP HA H 26 4.283 4.222 0.061 1
1 261 . 9 1 1 A 26 26 ASP C C 26 175.280 174.869 0.411 1
1 262 . 9 1 1 A 26 26 ASP CA C 26 56.107 55.480 0.627 1
1 263 . 9 1 1 A 26 26 ASP CB C 26 39.958 39.763 0.195 1
1 264 . 9 1 1 A 26 26 ASP N N 26 117.501 117.775 -0.274 1
1 265 . 9 1 1 A 27 27 GLU H H 27 9.023 8.070 0.953 1
1 266 . 9 1 1 A 27 27 GLU HA H 27 4.372 4.680 -0.308 1
1 271 . 9 1 1 A 27 27 GLU C C 27 174.686 175.677 -0.991 1
1 272 . 9 1 1 A 27 27 GLU CA C 27 58.185 55.283 2.902 1
1 273 . 9 1 1 A 27 27 GLU CB C 27 30.552 30.672 -0.120 1
1 275 . 9 1 1 A 27 27 GLU N N 27 123.133 117.619 5.514 1
1 276 . 9 1 1 A 28 28 TRP H H 28 8.452 8.828 -0.376 1
1 277 . 9 1 1 A 28 28 TRP HA H 28 4.967 5.759 -0.792 1
1 286 . 9 1 1 A 28 28 TRP C C 28 175.501 175.632 -0.131 1
1 287 . 9 1 1 A 28 28 TRP CA C 28 57.211 55.417 1.794 1
1 288 . 9 1 1 A 28 28 TRP CB C 28 31.524 31.606 -0.082 1
1 294 . 9 1 1 A 28 28 TRP N N 28 118.126 120.360 -2.234 1
1 296 . 9 1 1 A 29 29 PHE H H 29 9.699 9.901 -0.202 1
1 297 . 9 1 1 A 29 29 PHE HA H 29 4.994 5.130 -0.136 1
1 303 . 9 1 1 A 29 29 PHE C C 29 176.176 175.184 0.992 1
1 304 . 9 1 1 A 29 29 PHE CA C 29 56.712 56.243 0.469 1
1 305 . 9 1 1 A 29 29 PHE CB C 29 43.056 42.710 0.346 1
1 309 . 9 1 1 A 29 29 PHE N N 29 119.283 122.158 -2.875 1
1 310 . 9 1 1 A 30 30 HIS H H 30 9.676 8.341 1.335 1
1 311 . 9 1 1 A 30 30 HIS HA H 30 4.400 4.529 -0.129 1
1 316 . 9 1 1 A 30 30 HIS C C 30 177.509 176.123 1.386 1
1 317 . 9 1 1 A 30 30 HIS CA C 30 56.723 55.305 1.418 1
1 318 . 9 1 1 A 30 30 HIS CB C 30 29.686 30.832 -1.146 1
1 320 . 9 1 1 A 30 30 HIS N N 30 124.436 119.454 4.982 1
1 321 . 9 1 1 A 31 31 GLN H H 31 8.537 8.944 -0.407 1
1 322 . 9 1 1 A 31 31 GLN HA H 31 3.486 3.770 -0.284 1
1 329 . 9 1 1 A 31 31 GLN C C 31 179.005 178.359 0.646 1
1 330 . 9 1 1 A 31 31 GLN CA C 31 60.606 59.383 1.223 1
1 331 . 9 1 1 A 31 31 GLN CB C 31 26.624 28.334 -1.710 1
1 333 . 9 1 1 A 31 31 GLN N N 31 124.297 122.828 1.469 1
1 335 . 9 1 1 A 32 32 VAL H H 32 8.688 8.114 0.574 1
1 336 . 9 1 1 A 32 32 VAL HA H 32 4.060 3.778 0.282 1
1 344 . 9 1 1 A 32 32 VAL C C 32 178.001 177.722 0.279 1
1 345 . 9 1 1 A 32 32 VAL CA C 32 64.333 64.697 -0.364 1
1 346 . 9 1 1 A 32 32 VAL CB C 32 31.703 31.108 0.595 1
1 349 . 9 1 1 A 32 32 VAL N N 32 113.575 119.468 -5.893 1
1 350 . 9 1 1 A 33 33 CYS H H 33 6.893 8.126 -1.233 1
1 351 . 9 1 1 A 33 33 CYS HA H 33 4.151 4.172 -0.021 1
1 354 . 9 1 1 A 33 33 CYS C C 33 177.137 175.430 1.707 1
1 355 . 9 1 1 A 33 33 CYS CA C 33 62.650 61.188 1.462 1
1 356 . 9 1 1 A 33 33 CYS CB C 33 29.399 27.305 2.094 1
1 357 . 9 1 1 A 33 33 CYS N N 33 120.368 119.631 0.737 1
1 358 . 9 1 1 A 34 34 VAL H H 34 7.137 7.748 -0.611 1
1 359 . 9 1 1 A 34 34 VAL HA H 34 4.564 4.400 0.164 1
1 367 . 9 1 1 A 34 34 VAL C C 34 175.969 176.070 -0.101 1
1 368 . 9 1 1 A 34 34 VAL CA C 34 60.138 62.026 -1.888 1
1 369 . 9 1 1 A 34 34 VAL CB C 34 31.887 31.955 -0.068 1
1 372 . 9 1 1 A 34 34 VAL N N 34 106.615 118.790 -12.175 1
1 373 . 9 1 1 A 35 35 GLY H H 35 7.506 7.934 -0.428 1
1 374 . 9 1 1 A 35 35 GLY HA2 H 35 3.864 3.956 -0.092 1
1 375 . 9 1 1 A 35 35 GLY HA3 H 35 3.940 3.966 -0.026 1
1 376 . 9 1 1 A 35 35 GLY C C 35 174.670 174.735 -0.065 1
1 377 . 9 1 1 A 35 35 GLY CA C 35 47.029 46.694 0.335 1
1 378 . 9 1 1 A 35 35 GLY N N 35 110.034 111.285 -1.251 1
1 379 . 9 1 1 A 36 36 VAL H H 36 7.621 8.567 -0.946 1
1 380 . 9 1 1 A 36 36 VAL HA H 36 4.300 4.348 -0.048 1
1 388 . 9 1 1 A 36 36 VAL C C 36 174.260 176.077 -1.817 1
1 389 . 9 1 1 A 36 36 VAL CA C 36 61.084 61.765 -0.681 1
1 390 . 9 1 1 A 36 36 VAL CB C 36 34.059 33.054 1.005 1
1 393 . 9 1 1 A 36 36 VAL N N 36 119.403 120.120 -0.717 1
1 394 . 9 1 1 A 37 37 SER H H 37 8.007 8.965 -0.958 1
1 395 . 9 1 1 A 37 37 SER HA H 37 4.861 5.040 -0.179 1
1 398 . 9 1 1 A 37 37 SER CA C 37 55.564 56.005 -0.441 1
1 399 . 9 1 1 A 37 37 SER CB C 37 63.789 63.824 -0.035 1
1 400 . 9 1 1 A 37 37 SER N N 37 122.814 120.126 2.688 1
1 401 . 9 1 1 A 38 38 PRO HA H 38 4.337 4.801 -0.464 1
1 407 . 9 1 1 A 38 38 PRO C C 38 179.162 178.819 0.343 1
1 408 . 9 1 1 A 38 38 PRO CA C 38 65.551 65.486 0.065 1
1 409 . 9 1 1 A 38 38 PRO CB C 38 31.882 31.922 -0.040 1
1 412 . 9 1 1 A 39 39 GLU H H 39 8.520 8.411 0.109 1
1 413 . 9 1 1 A 39 39 GLU HA H 39 4.126 4.061 0.065 1
1 418 . 9 1 1 A 39 39 GLU C C 39 178.588 178.943 -0.355 1
1 419 . 9 1 1 A 39 39 GLU CA C 39 59.321 59.556 -0.235 1
1 420 . 9 1 1 A 39 39 GLU CB C 39 29.016 29.038 -0.022 1
1 422 . 9 1 1 A 39 39 GLU N N 39 116.621 117.790 -1.169 1
1 423 . 9 1 1 A 40 40 MET H H 40 7.707 7.962 -0.255 1
1 424 . 9 1 1 A 40 40 MET HA H 40 4.169 4.322 -0.153 1
1 431 . 9 1 1 A 40 40 MET C C 40 177.937 177.910 0.027 1
1 432 . 9 1 1 A 40 40 MET CA C 40 58.076 57.552 0.524 1
1 433 . 9 1 1 A 40 40 MET CB C 40 33.752 32.474 1.278 1
1 436 . 9 1 1 A 40 40 MET N N 40 120.129 120.124 0.005 1
1 437 . 9 1 1 A 41 41 ALA H H 41 8.214 7.881 0.333 1
1 438 . 9 1 1 A 41 41 ALA HA H 41 4.148 3.942 0.206 1
1 442 . 9 1 1 A 41 41 ALA C C 41 179.237 179.264 -0.027 1
1 443 . 9 1 1 A 41 41 ALA CA C 41 54.188 55.517 -1.329 1
1 444 . 9 1 1 A 41 41 ALA CB C 41 18.596 18.511 0.085 1
1 445 . 9 1 1 A 41 41 ALA N N 41 121.551 121.356 0.195 1
1 446 . 9 1 1 A 42 42 GLU H H 42 7.823 7.766 0.057 1
1 447 . 9 1 1 A 42 42 GLU HA H 42 4.377 4.282 0.095 1
1 450 . 9 1 1 A 42 42 GLU C C 42 177.669 178.561 -0.892 1
1 451 . 9 1 1 A 42 42 GLU CA C 42 57.775 58.526 -0.751 1
1 452 . 9 1 1 A 42 42 GLU CB C 42 30.495 30.645 -0.150 1
1 454 . 9 1 1 A 42 42 GLU N N 42 115.185 117.178 -1.993 1
1 455 . 9 1 1 A 43 43 ASN H H 43 7.817 7.922 -0.105 1
1 456 . 9 1 1 A 43 43 ASN HA H 43 4.845 4.664 0.181 1
1 461 . 9 1 1 A 43 43 ASN C C 43 174.634 175.462 -0.828 1
1 462 . 9 1 1 A 43 43 ASN CA C 43 54.343 55.228 -0.885 1
1 463 . 9 1 1 A 43 43 ASN CB C 43 40.910 39.267 1.643 1
1 464 . 9 1 1 A 43 43 ASN N N 43 115.082 117.268 -2.186 1
1 466 . 9 1 1 A 44 44 GLU H H 44 8.140 7.937 0.203 1
1 467 . 9 1 1 A 44 44 GLU HA H 44 4.572 4.774 -0.202 1
1 471 . 9 1 1 A 44 44 GLU C C 44 172.191 175.626 -3.435 1
1 472 . 9 1 1 A 44 44 GLU CA C 44 55.221 54.687 0.534 1
1 473 . 9 1 1 A 44 44 GLU CB C 44 32.235 34.208 -1.973 1
1 475 . 9 1 1 A 44 44 GLU N N 44 119.186 117.018 2.168 1
1 476 . 9 1 1 A 45 45 ASP H H 45 8.392 8.579 -0.187 1
1 477 . 9 1 1 A 45 45 ASP HA H 45 5.044 4.905 0.139 1
1 480 . 9 1 1 A 45 45 ASP CA C 45 53.829 54.379 -0.550 1
1 481 . 9 1 1 A 45 45 ASP CB C 45 41.271 41.218 0.053 1
1 482 . 9 1 1 A 45 45 ASP N N 45 121.008 122.047 -1.039 1
1 483 . 9 1 1 A 46 46 TYR H H 46 9.307 8.964 0.343 1
1 484 . 9 1 1 A 46 46 TYR HA H 46 4.508 4.647 -0.139 1
1 489 . 9 1 1 A 46 46 TYR C C 46 172.490 174.356 -1.866 1
1 490 . 9 1 1 A 46 46 TYR CA C 46 58.416 57.886 0.530 1
1 491 . 9 1 1 A 46 46 TYR CB C 46 39.842 38.442 1.400 1
1 494 . 9 1 1 A 46 46 TYR N N 46 124.739 126.286 -1.547 1
1 495 . 9 1 1 A 47 47 ILE H H 47 7.204 8.614 -1.410 1
1 496 . 9 1 1 A 47 47 ILE HA H 47 4.464 4.542 -0.078 1
1 506 . 9 1 1 A 47 47 ILE C C 47 174.754 175.181 -0.427 1
1 507 . 9 1 1 A 47 47 ILE CA C 47 58.308 59.136 -0.828 1
1 508 . 9 1 1 A 47 47 ILE CB C 47 37.997 40.827 -2.830 1
1 512 . 9 1 1 A 47 47 ILE N N 47 128.235 127.645 0.590 1
1 513 . 9 1 1 A 48 48 CYS H H 48 9.441 8.240 1.201 1
1 514 . 9 1 1 A 48 48 CYS HA H 48 4.132 4.391 -0.259 1
1 517 . 9 1 1 A 48 48 CYS C C 48 175.259 175.449 -0.190 1
1 518 . 9 1 1 A 48 48 CYS CA C 48 58.247 56.525 1.722 1
1 519 . 9 1 1 A 48 48 CYS CB C 48 32.230 29.098 3.132 1
1 520 . 9 1 1 A 48 48 CYS N N 48 131.299 123.264 8.035 1
1 521 . 9 1 1 A 49 49 ILE H H 49 7.753 8.630 -0.877 1
1 522 . 9 1 1 A 49 49 ILE HA H 49 3.968 3.864 0.104 1
1 532 . 9 1 1 A 49 49 ILE C C 49 177.248 177.715 -0.467 1
1 533 . 9 1 1 A 49 49 ILE CA C 49 63.078 64.120 -1.042 1
1 534 . 9 1 1 A 49 49 ILE CB C 49 38.535 37.731 0.804 1
1 538 . 9 1 1 A 49 49 ILE N N 49 113.316 121.573 -8.257 1
1 539 . 9 1 1 A 50 50 ASN H H 50 8.884 7.852 1.032 1
1 540 . 9 1 1 A 50 50 ASN HA H 50 4.729 4.587 0.142 1
1 545 . 9 1 1 A 50 50 ASN C C 50 176.793 177.364 -0.571 1
1 546 . 9 1 1 A 50 50 ASN CA C 50 55.405 55.570 -0.165 1
1 547 . 9 1 1 A 50 50 ASN CB C 50 39.719 38.251 1.468 1
1 548 . 9 1 1 A 50 50 ASN N N 50 121.756 119.657 2.099 1
1 550 . 9 1 1 A 51 51 CYS H H 51 8.179 7.810 0.369 1
1 551 . 9 1 1 A 51 51 CYS HA H 51 4.121 4.376 -0.255 1
1 554 . 9 1 1 A 51 51 CYS C C 51 174.880 175.319 -0.439 1
1 555 . 9 1 1 A 51 51 CYS CA C 51 61.889 62.678 -0.789 1
1 556 . 9 1 1 A 51 51 CYS CB C 51 31.444 27.348 4.096 1
1 557 . 9 1 1 A 51 51 CYS N N 51 123.907 118.545 5.362 1
1 1 . 10 1 1 A 2 2 VAL H H 2 8.398 8.599 -0.201 1
1 2 . 10 1 1 A 2 2 VAL HA H 2 5.045 4.671 0.374 1
1 10 . 10 1 1 A 2 2 VAL C C 2 175.547 175.903 -0.356 1
1 11 . 10 1 1 A 2 2 VAL CA C 2 60.781 61.053 -0.272 1
1 12 . 10 1 1 A 2 2 VAL CB C 2 34.251 34.384 -0.133 1
1 15 . 10 1 1 A 3 3 CYS H H 3 9.217 9.119 0.098 1
1 16 . 10 1 1 A 3 3 CYS HA H 3 5.017 4.878 0.139 1
1 19 . 10 1 1 A 3 3 CYS C C 3 174.515 174.435 0.080 1
1 20 . 10 1 1 A 3 3 CYS CA C 3 57.354 57.709 -0.355 1
1 21 . 10 1 1 A 3 3 CYS CB C 3 31.812 29.258 2.554 1
1 22 . 10 1 1 A 3 3 CYS N N 3 128.514 125.694 2.820 1
1 23 . 10 1 1 A 4 4 ALA H H 4 7.577 8.320 -0.743 1
1 24 . 10 1 1 A 4 4 ALA HA H 4 4.294 4.805 -0.511 1
1 28 . 10 1 1 A 4 4 ALA C C 4 177.618 176.407 1.211 1
1 29 . 10 1 1 A 4 4 ALA CA C 4 52.672 50.681 1.991 1
1 30 . 10 1 1 A 4 4 ALA CB C 4 18.970 20.144 -1.174 1
1 31 . 10 1 1 A 4 4 ALA N N 4 121.274 123.783 -2.509 1
1 32 . 10 1 1 A 5 5 ALA H H 5 9.064 8.252 0.812 1
1 33 . 10 1 1 A 5 5 ALA HA H 5 4.553 4.942 -0.389 1
1 37 . 10 1 1 A 5 5 ALA C C 5 177.906 177.478 0.428 1
1 38 . 10 1 1 A 5 5 ALA CA C 5 53.048 51.823 1.225 1
1 39 . 10 1 1 A 5 5 ALA CB C 5 19.508 22.141 -2.633 1
1 40 . 10 1 1 A 5 5 ALA N N 5 125.546 125.240 0.306 1
1 41 . 10 1 1 A 6 6 GLN H H 6 9.013 8.618 0.395 1
1 42 . 10 1 1 A 6 6 GLN HA H 6 4.099 4.139 -0.040 1
1 48 . 10 1 1 A 6 6 GLN C C 6 176.725 176.245 0.480 1
1 49 . 10 1 1 A 6 6 GLN CA C 6 58.528 59.123 -0.595 1
1 50 . 10 1 1 A 6 6 GLN CB C 6 28.394 28.897 -0.503 1
1 52 . 10 1 1 A 6 6 GLN N N 6 123.087 121.264 1.823 1
1 54 . 10 1 1 A 7 7 ASN H H 7 8.406 8.248 0.158 1
1 55 . 10 1 1 A 7 7 ASN HA H 7 4.883 5.100 -0.217 1
1 59 . 10 1 1 A 7 7 ASN C C 7 173.875 173.529 0.346 1
1 60 . 10 1 1 A 7 7 ASN CA C 7 51.765 52.529 -0.764 1
1 61 . 10 1 1 A 7 7 ASN CB C 7 37.899 39.718 -1.819 1
1 62 . 10 1 1 A 7 7 ASN N N 7 115.683 117.758 -2.075 1
1 64 . 10 1 1 A 8 8 CYS H H 8 7.743 8.810 -1.067 1
1 65 . 10 1 1 A 8 8 CYS HA H 8 4.975 4.715 0.260 1
1 68 . 10 1 1 A 8 8 CYS C C 8 177.334 176.358 0.976 1
1 69 . 10 1 1 A 8 8 CYS CA C 8 59.497 57.876 1.621 1
1 70 . 10 1 1 A 8 8 CYS CB C 8 29.111 29.316 -0.205 1
1 71 . 10 1 1 A 8 8 CYS N N 8 122.794 124.086 -1.292 1
1 72 . 10 1 1 A 9 9 GLN H H 9 9.862 8.836 1.026 1
1 73 . 10 1 1 A 9 9 GLN HA H 9 4.190 4.136 0.054 1
1 80 . 10 1 1 A 9 9 GLN C C 9 175.014 175.133 -0.119 1
1 81 . 10 1 1 A 9 9 GLN CA C 9 56.768 55.767 1.001 1
1 82 . 10 1 1 A 9 9 GLN CB C 9 28.755 28.837 -0.082 1
1 84 . 10 1 1 A 9 9 GLN N N 9 133.013 127.236 5.777 1
1 86 . 10 1 1 A 10 10 ARG H H 10 10.074 7.592 2.482 1
1 87 . 10 1 1 A 10 10 ARG HA H 10 4.152 3.885 0.267 1
1 93 . 10 1 1 A 10 10 ARG CA C 10 55.345 56.876 -1.531 1
1 94 . 10 1 1 A 10 10 ARG CB C 10 27.843 28.766 -0.923 1
1 97 . 10 1 1 A 10 10 ARG N N 10 122.014 119.245 2.769 1
1 98 . 10 1 1 A 11 11 PRO HA H 11 4.278 4.409 -0.131 1
1 104 . 10 1 1 A 11 11 PRO C C 11 177.028 175.532 1.496 1
1 105 . 10 1 1 A 11 11 PRO CA C 11 62.703 62.736 -0.033 1
1 106 . 10 1 1 A 11 11 PRO CB C 11 31.618 32.092 -0.474 1
1 109 . 10 1 1 A 12 12 CYS H H 12 8.488 8.545 -0.057 1
1 110 . 10 1 1 A 12 12 CYS HA H 12 4.519 5.057 -0.538 1
1 113 . 10 1 1 A 12 12 CYS C C 12 174.690 173.536 1.154 1
1 114 . 10 1 1 A 12 12 CYS CA C 12 58.146 58.096 0.050 1
1 115 . 10 1 1 A 12 12 CYS CB C 12 28.174 29.432 -1.258 1
1 116 . 10 1 1 A 12 12 CYS N N 12 118.868 121.911 -3.043 1
1 117 . 10 1 1 A 13 13 LYS H H 13 7.827 8.474 -0.647 1
1 118 . 10 1 1 A 13 13 LYS HA H 13 4.231 4.896 -0.665 1
1 124 . 10 1 1 A 13 13 LYS C C 13 175.756 176.192 -0.436 1
1 125 . 10 1 1 A 13 13 LYS CA C 13 56.836 54.617 2.219 1
1 126 . 10 1 1 A 13 13 LYS CB C 13 33.502 36.666 -3.164 1
1 130 . 10 1 1 A 13 13 LYS N N 13 122.032 126.878 -4.846 1
1 131 . 10 1 1 A 14 14 ASP H H 14 8.348 8.799 -0.451 1
1 132 . 10 1 1 A 14 14 ASP HA H 14 4.429 4.650 -0.221 1
1 135 . 10 1 1 A 14 14 ASP C C 14 176.011 177.036 -1.025 1
1 136 . 10 1 1 A 14 14 ASP CA C 14 55.877 56.149 -0.272 1
1 137 . 10 1 1 A 14 14 ASP CB C 14 40.879 41.643 -0.764 1
1 138 . 10 1 1 A 14 14 ASP N N 14 119.433 121.465 -2.032 1
1 139 . 10 1 1 A 15 15 LYS H H 15 7.898 7.836 0.062 1
1 140 . 10 1 1 A 15 15 LYS HA H 15 4.448 4.410 0.038 1
1 146 . 10 1 1 A 15 15 LYS C C 15 175.094 175.869 -0.775 1
1 147 . 10 1 1 A 15 15 LYS CA C 15 55.647 56.030 -0.383 1
1 148 . 10 1 1 A 15 15 LYS CB C 15 32.563 31.045 1.518 1
1 151 . 10 1 1 A 15 15 LYS N N 15 119.751 117.494 2.257 1
1 152 . 10 1 1 A 16 16 VAL H H 16 7.977 8.083 -0.106 1
1 153 . 10 1 1 A 16 16 VAL HA H 16 3.990 4.546 -0.556 1
1 161 . 10 1 1 A 16 16 VAL C C 16 173.871 174.223 -0.352 1
1 162 . 10 1 1 A 16 16 VAL CA C 16 61.261 60.880 0.381 1
1 163 . 10 1 1 A 16 16 VAL CB C 16 33.377 33.971 -0.594 1
1 166 . 10 1 1 A 16 16 VAL N N 16 122.186 123.436 -1.250 1
1 167 . 10 1 1 A 17 17 ASP H H 17 7.749 8.982 -1.233 1
1 168 . 10 1 1 A 17 17 ASP HA H 17 5.082 5.100 -0.018 1
1 171 . 10 1 1 A 17 17 ASP C C 17 176.746 176.359 0.387 1
1 172 . 10 1 1 A 17 17 ASP CA C 17 54.120 54.690 -0.570 1
1 173 . 10 1 1 A 17 17 ASP CB C 17 42.721 41.480 1.241 1
1 174 . 10 1 1 A 17 17 ASP N N 17 122.699 128.558 -5.859 1
1 175 . 10 1 1 A 18 18 TRP H H 18 9.513 9.308 0.205 1
1 176 . 10 1 1 A 18 18 TRP HA H 18 5.604 5.512 0.092 1
1 185 . 10 1 1 A 18 18 TRP C C 18 176.365 175.050 1.315 1
1 186 . 10 1 1 A 18 18 TRP CA C 18 57.700 56.086 1.614 1
1 187 . 10 1 1 A 18 18 TRP CB C 18 34.107 33.038 1.069 1
1 193 . 10 1 1 A 18 18 TRP N N 18 123.857 121.995 1.862 1
1 195 . 10 1 1 A 19 19 VAL H H 19 10.238 9.138 1.100 1
1 196 . 10 1 1 A 19 19 VAL HA H 19 4.670 4.896 -0.226 1
1 204 . 10 1 1 A 19 19 VAL CA C 19 61.089 59.582 1.507 1
1 205 . 10 1 1 A 19 19 VAL CB C 19 35.518 34.883 0.635 1
1 208 . 10 1 1 A 19 19 VAL N N 19 121.049 116.446 4.603 1
1 209 . 10 1 1 A 20 20 GLN H H 20 8.584 8.857 -0.273 1
1 210 . 10 1 1 A 20 20 GLN HA H 20 4.635 5.370 -0.735 1
1 217 . 10 1 1 A 20 20 GLN C C 20 175.662 175.045 0.617 1
1 218 . 10 1 1 A 20 20 GLN CA C 20 53.063 53.785 -0.722 1
1 219 . 10 1 1 A 20 20 GLN CB C 20 29.098 30.869 -1.771 1
1 221 . 10 1 1 A 20 20 GLN N N 20 130.340 123.317 7.023 1
1 223 . 10 1 1 A 21 21 CYS H H 21 8.740 9.020 -0.280 1
1 224 . 10 1 1 A 21 21 CYS HA H 21 4.588 5.367 -0.779 1
1 227 . 10 1 1 A 21 21 CYS CA C 21 60.617 58.320 2.297 1
1 228 . 10 1 1 A 21 21 CYS CB C 21 31.913 28.329 3.584 1
1 229 . 10 1 1 A 21 21 CYS N N 21 126.319 123.950 2.369 1
1 230 . 10 1 1 A 22 22 ASP H H 22 9.742 8.681 1.061 1
1 231 . 10 1 1 A 22 22 ASP HA H 22 5.079 4.735 0.344 1
1 234 . 10 1 1 A 22 22 ASP C C 22 178.015 176.734 1.281 1
1 235 . 10 1 1 A 22 22 ASP CA C 22 55.185 54.444 0.741 1
1 236 . 10 1 1 A 22 22 ASP CB C 22 42.664 41.200 1.464 1
1 237 . 10 1 1 A 22 22 ASP N N 22 130.603 126.261 4.342 1
1 238 . 10 1 1 A 23 23 GLY H H 23 10.762 7.973 2.789 1
1 239 . 10 1 1 A 23 23 GLY HA2 H 23 4.156 3.869 0.287 1
1 240 . 10 1 1 A 23 23 GLY HA3 H 23 3.536 3.894 -0.358 1
1 241 . 10 1 1 A 23 23 GLY C C 23 173.898 174.498 -0.600 1
1 242 . 10 1 1 A 23 23 GLY CA C 23 45.351 45.392 -0.041 1
1 243 . 10 1 1 A 23 23 GLY N N 23 116.158 107.947 8.211 1
1 244 . 10 1 1 A 24 24 GLY H H 24 8.904 7.764 1.140 1
1 245 . 10 1 1 A 24 24 GLY HA2 H 24 3.499 4.020 -0.521 1
1 246 . 10 1 1 A 24 24 GLY HA3 H 24 4.740 4.021 0.719 1
1 247 . 10 1 1 A 24 24 GLY C C 24 175.291 175.818 -0.527 1
1 248 . 10 1 1 A 24 24 GLY CA C 24 45.209 45.398 -0.189 1
1 249 . 10 1 1 A 24 24 GLY N N 24 109.769 106.699 3.070 1
1 250 . 10 1 1 A 25 25 CYS H H 25 7.639 8.172 -0.533 1
1 251 . 10 1 1 A 25 25 CYS HA H 25 4.465 4.536 -0.071 1
1 254 . 10 1 1 A 25 25 CYS C C 25 175.738 174.088 1.650 1
1 255 . 10 1 1 A 25 25 CYS CA C 25 60.097 60.414 -0.317 1
1 256 . 10 1 1 A 25 25 CYS CB C 25 30.248 28.685 1.563 1
1 257 . 10 1 1 A 25 25 CYS N N 25 119.776 119.766 0.010 1
1 258 . 10 1 1 A 26 26 ASP H H 26 8.209 7.821 0.388 1
1 259 . 10 1 1 A 26 26 ASP HA H 26 4.283 4.185 0.098 1
1 261 . 10 1 1 A 26 26 ASP C C 26 175.280 174.764 0.516 1
1 262 . 10 1 1 A 26 26 ASP CA C 26 56.107 55.491 0.616 1
1 263 . 10 1 1 A 26 26 ASP CB C 26 39.958 39.328 0.630 1
1 264 . 10 1 1 A 26 26 ASP N N 26 117.501 117.786 -0.285 1
1 265 . 10 1 1 A 27 27 GLU H H 27 9.023 8.045 0.978 1
1 266 . 10 1 1 A 27 27 GLU HA H 27 4.372 4.733 -0.361 1
1 271 . 10 1 1 A 27 27 GLU C C 27 174.686 175.918 -1.232 1
1 272 . 10 1 1 A 27 27 GLU CA C 27 58.185 54.944 3.241 1
1 273 . 10 1 1 A 27 27 GLU CB C 27 30.552 30.934 -0.382 1
1 275 . 10 1 1 A 27 27 GLU N N 27 123.133 117.395 5.738 1
1 276 . 10 1 1 A 28 28 TRP H H 28 8.452 8.885 -0.433 1
1 277 . 10 1 1 A 28 28 TRP HA H 28 4.967 5.867 -0.900 1
1 286 . 10 1 1 A 28 28 TRP C C 28 175.501 175.742 -0.241 1
1 287 . 10 1 1 A 28 28 TRP CA C 28 57.211 55.164 2.047 1
1 288 . 10 1 1 A 28 28 TRP CB C 28 31.524 31.713 -0.189 1
1 294 . 10 1 1 A 28 28 TRP N N 28 118.126 120.110 -1.984 1
1 296 . 10 1 1 A 29 29 PHE H H 29 9.699 10.069 -0.370 1
1 297 . 10 1 1 A 29 29 PHE HA H 29 4.994 5.197 -0.203 1
1 303 . 10 1 1 A 29 29 PHE C C 29 176.176 175.146 1.030 1
1 304 . 10 1 1 A 29 29 PHE CA C 29 56.712 56.383 0.329 1
1 305 . 10 1 1 A 29 29 PHE CB C 29 43.056 43.316 -0.260 1
1 309 . 10 1 1 A 29 29 PHE N N 29 119.283 121.786 -2.503 1
1 310 . 10 1 1 A 30 30 HIS H H 30 9.676 8.324 1.352 1
1 311 . 10 1 1 A 30 30 HIS HA H 30 4.400 4.549 -0.149 1
1 316 . 10 1 1 A 30 30 HIS C C 30 177.509 176.110 1.399 1
1 317 . 10 1 1 A 30 30 HIS CA C 30 56.723 55.380 1.343 1
1 318 . 10 1 1 A 30 30 HIS CB C 30 29.686 31.077 -1.391 1
1 320 . 10 1 1 A 30 30 HIS N N 30 124.436 119.287 5.149 1
1 321 . 10 1 1 A 31 31 GLN H H 31 8.537 8.973 -0.436 1
1 322 . 10 1 1 A 31 31 GLN HA H 31 3.486 3.761 -0.275 1
1 329 . 10 1 1 A 31 31 GLN C C 31 179.005 178.332 0.673 1
1 330 . 10 1 1 A 31 31 GLN CA C 31 60.606 59.241 1.365 1
1 331 . 10 1 1 A 31 31 GLN CB C 31 26.624 28.258 -1.634 1
1 333 . 10 1 1 A 31 31 GLN N N 31 124.297 122.852 1.445 1
1 335 . 10 1 1 A 32 32 VAL H H 32 8.688 7.959 0.729 1
1 336 . 10 1 1 A 32 32 VAL HA H 32 4.060 3.817 0.243 1
1 344 . 10 1 1 A 32 32 VAL C C 32 178.001 177.611 0.390 1
1 345 . 10 1 1 A 32 32 VAL CA C 32 64.333 64.685 -0.352 1
1 346 . 10 1 1 A 32 32 VAL CB C 32 31.703 31.553 0.150 1
1 349 . 10 1 1 A 32 32 VAL N N 32 113.575 118.890 -5.315 1
1 350 . 10 1 1 A 33 33 CYS H H 33 6.893 8.112 -1.219 1
1 351 . 10 1 1 A 33 33 CYS HA H 33 4.151 4.225 -0.074 1
1 354 . 10 1 1 A 33 33 CYS C C 33 177.137 175.544 1.593 1
1 355 . 10 1 1 A 33 33 CYS CA C 33 62.650 61.652 0.998 1
1 356 . 10 1 1 A 33 33 CYS CB C 33 29.399 27.281 2.118 1
1 357 . 10 1 1 A 33 33 CYS N N 33 120.368 119.224 1.144 1
1 358 . 10 1 1 A 34 34 VAL H H 34 7.137 7.783 -0.646 1
1 359 . 10 1 1 A 34 34 VAL HA H 34 4.564 4.346 0.218 1
1 367 . 10 1 1 A 34 34 VAL C C 34 175.969 175.896 0.073 1
1 368 . 10 1 1 A 34 34 VAL CA C 34 60.138 62.217 -2.079 1
1 369 . 10 1 1 A 34 34 VAL CB C 34 31.887 31.743 0.144 1
1 372 . 10 1 1 A 34 34 VAL N N 34 106.615 118.712 -12.097 1
1 373 . 10 1 1 A 35 35 GLY H H 35 7.506 7.558 -0.052 1
1 374 . 10 1 1 A 35 35 GLY HA2 H 35 3.864 3.898 -0.034 1
1 375 . 10 1 1 A 35 35 GLY HA3 H 35 3.940 3.916 0.024 1
1 376 . 10 1 1 A 35 35 GLY C C 35 174.670 174.444 0.226 1
1 377 . 10 1 1 A 35 35 GLY CA C 35 47.029 46.939 0.090 1
1 378 . 10 1 1 A 35 35 GLY N N 35 110.034 111.419 -1.385 1
1 379 . 10 1 1 A 36 36 VAL H H 36 7.621 8.321 -0.700 1
1 380 . 10 1 1 A 36 36 VAL HA H 36 4.300 4.557 -0.257 1
1 388 . 10 1 1 A 36 36 VAL C C 36 174.260 174.892 -0.632 1
1 389 . 10 1 1 A 36 36 VAL CA C 36 61.084 60.427 0.657 1
1 390 . 10 1 1 A 36 36 VAL CB C 36 34.059 34.133 -0.074 1
1 393 . 10 1 1 A 36 36 VAL N N 36 119.403 119.813 -0.410 1
1 394 . 10 1 1 A 37 37 SER H H 37 8.007 8.909 -0.902 1
1 395 . 10 1 1 A 37 37 SER HA H 37 4.861 4.997 -0.136 1
1 398 . 10 1 1 A 37 37 SER CA C 37 55.564 56.093 -0.529 1
1 399 . 10 1 1 A 37 37 SER CB C 37 63.789 63.830 -0.041 1
1 400 . 10 1 1 A 37 37 SER N N 37 122.814 119.417 3.397 1
1 401 . 10 1 1 A 38 38 PRO HA H 38 4.337 4.968 -0.631 1
1 407 . 10 1 1 A 38 38 PRO C C 38 179.162 177.951 1.211 1
1 408 . 10 1 1 A 38 38 PRO CA C 38 65.551 65.192 0.359 1
1 409 . 10 1 1 A 38 38 PRO CB C 38 31.882 32.002 -0.120 1
1 412 . 10 1 1 A 39 39 GLU H H 39 8.520 8.234 0.286 1
1 413 . 10 1 1 A 39 39 GLU HA H 39 4.126 4.148 -0.022 1
1 418 . 10 1 1 A 39 39 GLU C C 39 178.588 178.919 -0.331 1
1 419 . 10 1 1 A 39 39 GLU CA C 39 59.321 59.354 -0.033 1
1 420 . 10 1 1 A 39 39 GLU CB C 39 29.016 29.056 -0.040 1
1 422 . 10 1 1 A 39 39 GLU N N 39 116.621 118.037 -1.416 1
1 423 . 10 1 1 A 40 40 MET H H 40 7.707 7.934 -0.227 1
1 424 . 10 1 1 A 40 40 MET HA H 40 4.169 4.393 -0.224 1
1 431 . 10 1 1 A 40 40 MET C C 40 177.937 178.014 -0.077 1
1 432 . 10 1 1 A 40 40 MET CA C 40 58.076 57.487 0.589 1
1 433 . 10 1 1 A 40 40 MET CB C 40 33.752 32.172 1.580 1
1 436 . 10 1 1 A 40 40 MET N N 40 120.129 119.901 0.228 1
1 437 . 10 1 1 A 41 41 ALA H H 41 8.214 7.810 0.404 1
1 438 . 10 1 1 A 41 41 ALA HA H 41 4.148 3.939 0.209 1
1 442 . 10 1 1 A 41 41 ALA C C 41 179.237 178.803 0.434 1
1 443 . 10 1 1 A 41 41 ALA CA C 41 54.188 55.363 -1.175 1
1 444 . 10 1 1 A 41 41 ALA CB C 41 18.596 18.368 0.228 1
1 445 . 10 1 1 A 41 41 ALA N N 41 121.551 121.558 -0.007 1
1 446 . 10 1 1 A 42 42 GLU H H 42 7.823 8.137 -0.314 1
1 447 . 10 1 1 A 42 42 GLU HA H 42 4.377 4.298 0.079 1
1 450 . 10 1 1 A 42 42 GLU C C 42 177.669 177.397 0.272 1
1 451 . 10 1 1 A 42 42 GLU CA C 42 57.775 57.385 0.390 1
1 452 . 10 1 1 A 42 42 GLU CB C 42 30.495 30.192 0.303 1
1 454 . 10 1 1 A 42 42 GLU N N 42 115.185 115.682 -0.497 1
1 455 . 10 1 1 A 43 43 ASN H H 43 7.817 7.681 0.136 1
1 456 . 10 1 1 A 43 43 ASN HA H 43 4.845 4.870 -0.025 1
1 461 . 10 1 1 A 43 43 ASN C C 43 174.634 175.114 -0.480 1
1 462 . 10 1 1 A 43 43 ASN CA C 43 54.343 54.071 0.272 1
1 463 . 10 1 1 A 43 43 ASN CB C 43 40.910 41.555 -0.645 1
1 464 . 10 1 1 A 43 43 ASN N N 43 115.082 115.752 -0.670 1
1 466 . 10 1 1 A 44 44 GLU H H 44 8.140 8.093 0.047 1
1 467 . 10 1 1 A 44 44 GLU HA H 44 4.572 4.782 -0.210 1
1 471 . 10 1 1 A 44 44 GLU C C 44 172.191 175.708 -3.517 1
1 472 . 10 1 1 A 44 44 GLU CA C 44 55.221 54.635 0.586 1
1 473 . 10 1 1 A 44 44 GLU CB C 44 32.235 34.521 -2.286 1
1 475 . 10 1 1 A 44 44 GLU N N 44 119.186 117.164 2.022 1
1 476 . 10 1 1 A 45 45 ASP H H 45 8.392 8.582 -0.190 1
1 477 . 10 1 1 A 45 45 ASP HA H 45 5.044 4.866 0.178 1
1 480 . 10 1 1 A 45 45 ASP CA C 45 53.829 54.039 -0.210 1
1 481 . 10 1 1 A 45 45 ASP CB C 45 41.271 41.299 -0.028 1
1 482 . 10 1 1 A 45 45 ASP N N 45 121.008 122.371 -1.363 1
1 483 . 10 1 1 A 46 46 TYR H H 46 9.307 8.820 0.487 1
1 484 . 10 1 1 A 46 46 TYR HA H 46 4.508 4.576 -0.068 1
1 489 . 10 1 1 A 46 46 TYR C C 46 172.490 174.261 -1.771 1
1 490 . 10 1 1 A 46 46 TYR CA C 46 58.416 57.285 1.131 1
1 491 . 10 1 1 A 46 46 TYR CB C 46 39.842 38.505 1.337 1
1 494 . 10 1 1 A 46 46 TYR N N 46 124.739 125.453 -0.714 1
1 495 . 10 1 1 A 47 47 ILE H H 47 7.204 8.650 -1.446 1
1 496 . 10 1 1 A 47 47 ILE HA H 47 4.464 4.294 0.170 1
1 506 . 10 1 1 A 47 47 ILE C C 47 174.754 175.104 -0.350 1
1 507 . 10 1 1 A 47 47 ILE CA C 47 58.308 60.157 -1.849 1
1 508 . 10 1 1 A 47 47 ILE CB C 47 37.997 39.233 -1.236 1
1 512 . 10 1 1 A 47 47 ILE N N 47 128.235 127.975 0.260 1
1 513 . 10 1 1 A 48 48 CYS H H 48 9.441 8.173 1.268 1
1 514 . 10 1 1 A 48 48 CYS HA H 48 4.132 4.351 -0.219 1
1 517 . 10 1 1 A 48 48 CYS C C 48 175.259 175.116 0.143 1
1 518 . 10 1 1 A 48 48 CYS CA C 48 58.247 56.235 2.012 1
1 519 . 10 1 1 A 48 48 CYS CB C 48 32.230 29.040 3.190 1
1 520 . 10 1 1 A 48 48 CYS N N 48 131.299 123.674 7.625 1
1 521 . 10 1 1 A 49 49 ILE H H 49 7.753 8.643 -0.890 1
1 522 . 10 1 1 A 49 49 ILE HA H 49 3.968 3.836 0.132 1
1 532 . 10 1 1 A 49 49 ILE C C 49 177.248 177.587 -0.339 1
1 533 . 10 1 1 A 49 49 ILE CA C 49 63.078 64.320 -1.242 1
1 534 . 10 1 1 A 49 49 ILE CB C 49 38.535 37.658 0.877 1
1 538 . 10 1 1 A 49 49 ILE N N 49 113.316 121.271 -7.955 1
1 539 . 10 1 1 A 50 50 ASN H H 50 8.884 7.795 1.089 1
1 540 . 10 1 1 A 50 50 ASN HA H 50 4.729 4.590 0.139 1
1 545 . 10 1 1 A 50 50 ASN C C 50 176.793 177.644 -0.851 1
1 546 . 10 1 1 A 50 50 ASN CA C 50 55.405 55.790 -0.385 1
1 547 . 10 1 1 A 50 50 ASN CB C 50 39.719 38.352 1.367 1
1 548 . 10 1 1 A 50 50 ASN N N 50 121.756 119.702 2.054 1
1 550 . 10 1 1 A 51 51 CYS H H 51 8.179 7.741 0.438 1
1 551 . 10 1 1 A 51 51 CYS HA H 51 4.121 4.346 -0.225 1
1 554 . 10 1 1 A 51 51 CYS C C 51 174.880 175.916 -1.036 1
1 555 . 10 1 1 A 51 51 CYS CA C 51 61.889 62.747 -0.858 1
1 556 . 10 1 1 A 51 51 CYS CB C 51 31.444 27.509 3.935 1
1 557 . 10 1 1 A 51 51 CYS N N 51 123.907 118.643 5.264 1
1 1 . 11 1 1 A 2 2 VAL H H 2 8.398 7.589 0.809 1
1 2 . 11 1 1 A 2 2 VAL HA H 2 5.045 4.757 0.288 1
1 10 . 11 1 1 A 2 2 VAL C C 2 175.547 175.574 -0.027 1
1 11 . 11 1 1 A 2 2 VAL CA C 2 60.781 60.337 0.444 1
1 12 . 11 1 1 A 2 2 VAL CB C 2 34.251 35.804 -1.553 1
1 15 . 11 1 1 A 3 3 CYS H H 3 9.217 8.967 0.250 1
1 16 . 11 1 1 A 3 3 CYS HA H 3 5.017 4.798 0.219 1
1 19 . 11 1 1 A 3 3 CYS C C 3 174.515 174.418 0.097 1
1 20 . 11 1 1 A 3 3 CYS CA C 3 57.354 57.757 -0.403 1
1 21 . 11 1 1 A 3 3 CYS CB C 3 31.812 28.948 2.864 1
1 22 . 11 1 1 A 3 3 CYS N N 3 128.514 125.664 2.850 1
1 23 . 11 1 1 A 4 4 ALA H H 4 7.577 8.323 -0.746 1
1 24 . 11 1 1 A 4 4 ALA HA H 4 4.294 4.960 -0.666 1
1 28 . 11 1 1 A 4 4 ALA C C 4 177.618 176.169 1.449 1
1 29 . 11 1 1 A 4 4 ALA CA C 4 52.672 50.225 2.447 1
1 30 . 11 1 1 A 4 4 ALA CB C 4 18.970 20.369 -1.399 1
1 31 . 11 1 1 A 4 4 ALA N N 4 121.274 123.511 -2.237 1
1 32 . 11 1 1 A 5 5 ALA H H 5 9.064 8.380 0.684 1
1 33 . 11 1 1 A 5 5 ALA HA H 5 4.553 4.964 -0.411 1
1 37 . 11 1 1 A 5 5 ALA C C 5 177.906 177.287 0.619 1
1 38 . 11 1 1 A 5 5 ALA CA C 5 53.048 51.896 1.152 1
1 39 . 11 1 1 A 5 5 ALA CB C 5 19.508 22.440 -2.932 1
1 40 . 11 1 1 A 5 5 ALA N N 5 125.546 123.449 2.097 1
1 41 . 11 1 1 A 6 6 GLN H H 6 9.013 8.959 0.054 1
1 42 . 11 1 1 A 6 6 GLN HA H 6 4.099 4.060 0.039 1
1 48 . 11 1 1 A 6 6 GLN C C 6 176.725 175.539 1.186 1
1 49 . 11 1 1 A 6 6 GLN CA C 6 58.528 58.506 0.022 1
1 50 . 11 1 1 A 6 6 GLN CB C 6 28.394 28.763 -0.369 1
1 52 . 11 1 1 A 6 6 GLN N N 6 123.087 120.719 2.368 1
1 54 . 11 1 1 A 7 7 ASN H H 7 8.406 7.968 0.438 1
1 55 . 11 1 1 A 7 7 ASN HA H 7 4.883 5.093 -0.210 1
1 59 . 11 1 1 A 7 7 ASN C C 7 173.875 173.377 0.498 1
1 60 . 11 1 1 A 7 7 ASN CA C 7 51.765 53.083 -1.318 1
1 61 . 11 1 1 A 7 7 ASN CB C 7 37.899 40.229 -2.330 1
1 62 . 11 1 1 A 7 7 ASN N N 7 115.683 116.415 -0.732 1
1 64 . 11 1 1 A 8 8 CYS H H 8 7.743 8.834 -1.091 1
1 65 . 11 1 1 A 8 8 CYS HA H 8 4.975 4.822 0.153 1
1 68 . 11 1 1 A 8 8 CYS C C 8 177.334 176.527 0.807 1
1 69 . 11 1 1 A 8 8 CYS CA C 8 59.497 57.287 2.210 1
1 70 . 11 1 1 A 8 8 CYS CB C 8 29.111 30.361 -1.250 1
1 71 . 11 1 1 A 8 8 CYS N N 8 122.794 126.479 -3.685 1
1 72 . 11 1 1 A 9 9 GLN H H 9 9.862 8.763 1.099 1
1 73 . 11 1 1 A 9 9 GLN HA H 9 4.190 4.174 0.016 1
1 80 . 11 1 1 A 9 9 GLN C C 9 175.014 175.201 -0.187 1
1 81 . 11 1 1 A 9 9 GLN CA C 9 56.768 55.781 0.987 1
1 82 . 11 1 1 A 9 9 GLN CB C 9 28.755 28.800 -0.045 1
1 84 . 11 1 1 A 9 9 GLN N N 9 133.013 126.761 6.252 1
1 86 . 11 1 1 A 10 10 ARG H H 10 10.074 7.710 2.364 1
1 87 . 11 1 1 A 10 10 ARG HA H 10 4.152 3.936 0.216 1
1 93 . 11 1 1 A 10 10 ARG CA C 10 55.345 56.936 -1.591 1
1 94 . 11 1 1 A 10 10 ARG CB C 10 27.843 28.846 -1.003 1
1 97 . 11 1 1 A 10 10 ARG N N 10 122.014 119.296 2.718 1
1 98 . 11 1 1 A 11 11 PRO HA H 11 4.278 4.603 -0.325 1
1 104 . 11 1 1 A 11 11 PRO C C 11 177.028 175.476 1.552 1
1 105 . 11 1 1 A 11 11 PRO CA C 11 62.703 62.432 0.271 1
1 106 . 11 1 1 A 11 11 PRO CB C 11 31.618 32.329 -0.711 1
1 109 . 11 1 1 A 12 12 CYS H H 12 8.488 8.591 -0.103 1
1 110 . 11 1 1 A 12 12 CYS HA H 12 4.519 5.136 -0.617 1
1 113 . 11 1 1 A 12 12 CYS C C 12 174.690 173.305 1.385 1
1 114 . 11 1 1 A 12 12 CYS CA C 12 58.146 58.032 0.114 1
1 115 . 11 1 1 A 12 12 CYS CB C 12 28.174 30.471 -2.297 1
1 116 . 11 1 1 A 12 12 CYS N N 12 118.868 120.783 -1.915 1
1 117 . 11 1 1 A 13 13 LYS H H 13 7.827 8.744 -0.917 1
1 118 . 11 1 1 A 13 13 LYS HA H 13 4.231 4.943 -0.712 1
1 124 . 11 1 1 A 13 13 LYS C C 13 175.756 176.588 -0.832 1
1 125 . 11 1 1 A 13 13 LYS CA C 13 56.836 54.573 2.263 1
1 126 . 11 1 1 A 13 13 LYS CB C 13 33.502 36.310 -2.808 1
1 130 . 11 1 1 A 13 13 LYS N N 13 122.032 126.762 -4.730 1
1 131 . 11 1 1 A 14 14 ASP H H 14 8.348 8.603 -0.255 1
1 132 . 11 1 1 A 14 14 ASP HA H 14 4.429 4.641 -0.212 1
1 135 . 11 1 1 A 14 14 ASP C C 14 176.011 175.810 0.201 1
1 136 . 11 1 1 A 14 14 ASP CA C 14 55.877 55.143 0.734 1
1 137 . 11 1 1 A 14 14 ASP CB C 14 40.879 40.968 -0.089 1
1 138 . 11 1 1 A 14 14 ASP N N 14 119.433 121.322 -1.889 1
1 139 . 11 1 1 A 15 15 LYS H H 15 7.898 7.826 0.072 1
1 140 . 11 1 1 A 15 15 LYS HA H 15 4.448 4.697 -0.249 1
1 146 . 11 1 1 A 15 15 LYS C C 15 175.094 175.284 -0.190 1
1 147 . 11 1 1 A 15 15 LYS CA C 15 55.647 55.337 0.310 1
1 148 . 11 1 1 A 15 15 LYS CB C 15 32.563 33.557 -0.994 1
1 151 . 11 1 1 A 15 15 LYS N N 15 119.751 119.519 0.232 1
1 152 . 11 1 1 A 16 16 VAL H H 16 7.977 8.459 -0.482 1
1 153 . 11 1 1 A 16 16 VAL HA H 16 3.990 4.535 -0.545 1
1 161 . 11 1 1 A 16 16 VAL C C 16 173.871 174.194 -0.323 1
1 162 . 11 1 1 A 16 16 VAL CA C 16 61.261 60.610 0.651 1
1 163 . 11 1 1 A 16 16 VAL CB C 16 33.377 34.306 -0.929 1
1 166 . 11 1 1 A 16 16 VAL N N 16 122.186 123.356 -1.170 1
1 167 . 11 1 1 A 17 17 ASP H H 17 7.749 8.946 -1.197 1
1 168 . 11 1 1 A 17 17 ASP HA H 17 5.082 5.022 0.060 1
1 171 . 11 1 1 A 17 17 ASP C C 17 176.746 175.501 1.245 1
1 172 . 11 1 1 A 17 17 ASP CA C 17 54.120 54.889 -0.769 1
1 173 . 11 1 1 A 17 17 ASP CB C 17 42.721 41.833 0.888 1
1 174 . 11 1 1 A 17 17 ASP N N 17 122.699 128.256 -5.557 1
1 175 . 11 1 1 A 18 18 TRP H H 18 9.513 9.179 0.334 1
1 176 . 11 1 1 A 18 18 TRP HA H 18 5.604 5.432 0.172 1
1 185 . 11 1 1 A 18 18 TRP C C 18 176.365 174.756 1.609 1
1 186 . 11 1 1 A 18 18 TRP CA C 18 57.700 56.127 1.573 1
1 187 . 11 1 1 A 18 18 TRP CB C 18 34.107 33.894 0.213 1
1 193 . 11 1 1 A 18 18 TRP N N 18 123.857 120.880 2.977 1
1 195 . 11 1 1 A 19 19 VAL H H 19 10.238 8.891 1.347 1
1 196 . 11 1 1 A 19 19 VAL HA H 19 4.670 4.908 -0.238 1
1 204 . 11 1 1 A 19 19 VAL CA C 19 61.089 59.546 1.543 1
1 205 . 11 1 1 A 19 19 VAL CB C 19 35.518 34.932 0.586 1
1 208 . 11 1 1 A 19 19 VAL N N 19 121.049 116.674 4.375 1
1 209 . 11 1 1 A 20 20 GLN H H 20 8.584 8.843 -0.259 1
1 210 . 11 1 1 A 20 20 GLN HA H 20 4.635 5.112 -0.477 1
1 217 . 11 1 1 A 20 20 GLN C C 20 175.662 175.221 0.441 1
1 218 . 11 1 1 A 20 20 GLN CA C 20 53.063 53.738 -0.675 1
1 219 . 11 1 1 A 20 20 GLN CB C 20 29.098 30.369 -1.271 1
1 221 . 11 1 1 A 20 20 GLN N N 20 130.340 123.540 6.800 1
1 223 . 11 1 1 A 21 21 CYS H H 21 8.740 8.936 -0.196 1
1 224 . 11 1 1 A 21 21 CYS HA H 21 4.588 5.377 -0.789 1
1 227 . 11 1 1 A 21 21 CYS CA C 21 60.617 58.606 2.011 1
1 228 . 11 1 1 A 21 21 CYS CB C 21 31.913 28.025 3.888 1
1 229 . 11 1 1 A 21 21 CYS N N 21 126.319 124.022 2.297 1
1 230 . 11 1 1 A 22 22 ASP H H 22 9.742 8.382 1.360 1
1 231 . 11 1 1 A 22 22 ASP HA H 22 5.079 4.742 0.337 1
1 234 . 11 1 1 A 22 22 ASP C C 22 178.015 176.743 1.272 1
1 235 . 11 1 1 A 22 22 ASP CA C 22 55.185 54.462 0.723 1
1 236 . 11 1 1 A 22 22 ASP CB C 22 42.664 41.174 1.490 1
1 237 . 11 1 1 A 22 22 ASP N N 22 130.603 126.178 4.425 1
1 238 . 11 1 1 A 23 23 GLY H H 23 10.762 7.992 2.770 1
1 239 . 11 1 1 A 23 23 GLY HA2 H 23 4.156 3.881 0.275 1
1 240 . 11 1 1 A 23 23 GLY HA3 H 23 3.536 3.900 -0.364 1
1 241 . 11 1 1 A 23 23 GLY C C 23 173.898 174.459 -0.561 1
1 242 . 11 1 1 A 23 23 GLY CA C 23 45.351 45.430 -0.079 1
1 243 . 11 1 1 A 23 23 GLY N N 23 116.158 108.099 8.059 1
1 244 . 11 1 1 A 24 24 GLY H H 24 8.904 7.272 1.632 1
1 245 . 11 1 1 A 24 24 GLY HA2 H 24 3.499 4.030 -0.531 1
1 246 . 11 1 1 A 24 24 GLY HA3 H 24 4.740 4.030 0.710 1
1 247 . 11 1 1 A 24 24 GLY C C 24 175.291 175.804 -0.513 1
1 248 . 11 1 1 A 24 24 GLY CA C 24 45.209 45.379 -0.170 1
1 249 . 11 1 1 A 24 24 GLY N N 24 109.769 106.683 3.086 1
1 250 . 11 1 1 A 25 25 CYS H H 25 7.639 8.190 -0.551 1
1 251 . 11 1 1 A 25 25 CYS HA H 25 4.465 4.537 -0.072 1
1 254 . 11 1 1 A 25 25 CYS C C 25 175.738 174.150 1.588 1
1 255 . 11 1 1 A 25 25 CYS CA C 25 60.097 60.441 -0.344 1
1 256 . 11 1 1 A 25 25 CYS CB C 25 30.248 28.635 1.613 1
1 257 . 11 1 1 A 25 25 CYS N N 25 119.776 119.829 -0.053 1
1 258 . 11 1 1 A 26 26 ASP H H 26 8.209 7.678 0.531 1
1 259 . 11 1 1 A 26 26 ASP HA H 26 4.283 4.174 0.109 1
1 261 . 11 1 1 A 26 26 ASP C C 26 175.280 174.872 0.408 1
1 262 . 11 1 1 A 26 26 ASP CA C 26 56.107 55.471 0.636 1
1 263 . 11 1 1 A 26 26 ASP CB C 26 39.958 39.503 0.455 1
1 264 . 11 1 1 A 26 26 ASP N N 26 117.501 117.756 -0.255 1
1 265 . 11 1 1 A 27 27 GLU H H 27 9.023 8.058 0.965 1
1 266 . 11 1 1 A 27 27 GLU HA H 27 4.372 4.683 -0.311 1
1 271 . 11 1 1 A 27 27 GLU C C 27 174.686 175.534 -0.848 1
1 272 . 11 1 1 A 27 27 GLU CA C 27 58.185 55.374 2.811 1
1 273 . 11 1 1 A 27 27 GLU CB C 27 30.552 30.818 -0.266 1
1 275 . 11 1 1 A 27 27 GLU N N 27 123.133 117.695 5.438 1
1 276 . 11 1 1 A 28 28 TRP H H 28 8.452 8.929 -0.477 1
1 277 . 11 1 1 A 28 28 TRP HA H 28 4.967 5.795 -0.828 1
1 286 . 11 1 1 A 28 28 TRP C C 28 175.501 175.814 -0.313 1
1 287 . 11 1 1 A 28 28 TRP CA C 28 57.211 55.201 2.010 1
1 288 . 11 1 1 A 28 28 TRP CB C 28 31.524 31.879 -0.355 1
1 294 . 11 1 1 A 28 28 TRP N N 28 118.126 120.692 -2.566 1
1 296 . 11 1 1 A 29 29 PHE H H 29 9.699 9.851 -0.152 1
1 297 . 11 1 1 A 29 29 PHE HA H 29 4.994 5.115 -0.121 1
1 303 . 11 1 1 A 29 29 PHE C C 29 176.176 175.105 1.071 1
1 304 . 11 1 1 A 29 29 PHE CA C 29 56.712 56.490 0.222 1
1 305 . 11 1 1 A 29 29 PHE CB C 29 43.056 42.878 0.178 1
1 309 . 11 1 1 A 29 29 PHE N N 29 119.283 122.178 -2.895 1
1 310 . 11 1 1 A 30 30 HIS H H 30 9.676 8.345 1.331 1
1 311 . 11 1 1 A 30 30 HIS HA H 30 4.400 4.504 -0.104 1
1 316 . 11 1 1 A 30 30 HIS C C 30 177.509 175.992 1.517 1
1 317 . 11 1 1 A 30 30 HIS CA C 30 56.723 54.908 1.815 1
1 318 . 11 1 1 A 30 30 HIS CB C 30 29.686 31.074 -1.388 1
1 320 . 11 1 1 A 30 30 HIS N N 30 124.436 119.310 5.126 1
1 321 . 11 1 1 A 31 31 GLN H H 31 8.537 8.905 -0.368 1
1 322 . 11 1 1 A 31 31 GLN HA H 31 3.486 3.783 -0.297 1
1 329 . 11 1 1 A 31 31 GLN C C 31 179.005 178.218 0.787 1
1 330 . 11 1 1 A 31 31 GLN CA C 31 60.606 59.155 1.451 1
1 331 . 11 1 1 A 31 31 GLN CB C 31 26.624 28.242 -1.618 1
1 333 . 11 1 1 A 31 31 GLN N N 31 124.297 123.358 0.939 1
1 335 . 11 1 1 A 32 32 VAL H H 32 8.688 7.927 0.761 1
1 336 . 11 1 1 A 32 32 VAL HA H 32 4.060 3.838 0.222 1
1 344 . 11 1 1 A 32 32 VAL C C 32 178.001 177.657 0.344 1
1 345 . 11 1 1 A 32 32 VAL CA C 32 64.333 64.638 -0.305 1
1 346 . 11 1 1 A 32 32 VAL CB C 32 31.703 31.709 -0.006 1
1 349 . 11 1 1 A 32 32 VAL N N 32 113.575 119.107 -5.532 1
1 350 . 11 1 1 A 33 33 CYS H H 33 6.893 8.270 -1.377 1
1 351 . 11 1 1 A 33 33 CYS HA H 33 4.151 4.193 -0.042 1
1 354 . 11 1 1 A 33 33 CYS C C 33 177.137 175.575 1.562 1
1 355 . 11 1 1 A 33 33 CYS CA C 33 62.650 61.593 1.057 1
1 356 . 11 1 1 A 33 33 CYS CB C 33 29.399 27.173 2.226 1
1 357 . 11 1 1 A 33 33 CYS N N 33 120.368 119.540 0.828 1
1 358 . 11 1 1 A 34 34 VAL H H 34 7.137 7.838 -0.701 1
1 359 . 11 1 1 A 34 34 VAL HA H 34 4.564 4.366 0.198 1
1 367 . 11 1 1 A 34 34 VAL C C 34 175.969 175.978 -0.009 1
1 368 . 11 1 1 A 34 34 VAL CA C 34 60.138 62.315 -2.177 1
1 369 . 11 1 1 A 34 34 VAL CB C 34 31.887 31.831 0.056 1
1 372 . 11 1 1 A 34 34 VAL N N 34 106.615 118.849 -12.234 1
1 373 . 11 1 1 A 35 35 GLY H H 35 7.506 7.616 -0.110 1
1 374 . 11 1 1 A 35 35 GLY HA2 H 35 3.864 3.931 -0.067 1
1 375 . 11 1 1 A 35 35 GLY HA3 H 35 3.940 3.943 -0.003 1
1 376 . 11 1 1 A 35 35 GLY C C 35 174.670 174.577 0.093 1
1 377 . 11 1 1 A 35 35 GLY CA C 35 47.029 46.962 0.067 1
1 378 . 11 1 1 A 35 35 GLY N N 35 110.034 111.450 -1.416 1
1 379 . 11 1 1 A 36 36 VAL H H 36 7.621 8.597 -0.976 1
1 380 . 11 1 1 A 36 36 VAL HA H 36 4.300 4.510 -0.210 1
1 388 . 11 1 1 A 36 36 VAL C C 36 174.260 175.784 -1.524 1
1 389 . 11 1 1 A 36 36 VAL CA C 36 61.084 60.704 0.380 1
1 390 . 11 1 1 A 36 36 VAL CB C 36 34.059 33.672 0.387 1
1 393 . 11 1 1 A 36 36 VAL N N 36 119.403 120.113 -0.710 1
1 394 . 11 1 1 A 37 37 SER H H 37 8.007 8.979 -0.972 1
1 395 . 11 1 1 A 37 37 SER HA H 37 4.861 5.048 -0.187 1
1 398 . 11 1 1 A 37 37 SER CA C 37 55.564 55.960 -0.396 1
1 399 . 11 1 1 A 37 37 SER CB C 37 63.789 64.037 -0.248 1
1 400 . 11 1 1 A 37 37 SER N N 37 122.814 120.261 2.553 1
1 401 . 11 1 1 A 38 38 PRO HA H 38 4.337 4.355 -0.018 1
1 407 . 11 1 1 A 38 38 PRO C C 38 179.162 177.977 1.185 1
1 408 . 11 1 1 A 38 38 PRO CA C 38 65.551 64.989 0.562 1
1 409 . 11 1 1 A 38 38 PRO CB C 38 31.882 32.059 -0.177 1
1 412 . 11 1 1 A 39 39 GLU H H 39 8.520 8.252 0.268 1
1 413 . 11 1 1 A 39 39 GLU HA H 39 4.126 4.141 -0.015 1
1 418 . 11 1 1 A 39 39 GLU C C 39 178.588 178.850 -0.262 1
1 419 . 11 1 1 A 39 39 GLU CA C 39 59.321 59.432 -0.111 1
1 420 . 11 1 1 A 39 39 GLU CB C 39 29.016 29.084 -0.068 1
1 422 . 11 1 1 A 39 39 GLU N N 39 116.621 118.088 -1.467 1
1 423 . 11 1 1 A 40 40 MET H H 40 7.707 7.688 0.019 1
1 424 . 11 1 1 A 40 40 MET HA H 40 4.169 4.397 -0.228 1
1 431 . 11 1 1 A 40 40 MET C C 40 177.937 177.983 -0.046 1
1 432 . 11 1 1 A 40 40 MET CA C 40 58.076 57.319 0.757 1
1 433 . 11 1 1 A 40 40 MET CB C 40 33.752 32.310 1.442 1
1 436 . 11 1 1 A 40 40 MET N N 40 120.129 119.405 0.724 1
1 437 . 11 1 1 A 41 41 ALA H H 41 8.214 8.005 0.209 1
1 438 . 11 1 1 A 41 41 ALA HA H 41 4.148 3.962 0.186 1
1 442 . 11 1 1 A 41 41 ALA C C 41 179.237 179.585 -0.348 1
1 443 . 11 1 1 A 41 41 ALA CA C 41 54.188 55.535 -1.347 1
1 444 . 11 1 1 A 41 41 ALA CB C 41 18.596 18.495 0.101 1
1 445 . 11 1 1 A 41 41 ALA N N 41 121.551 121.459 0.092 1
1 446 . 11 1 1 A 42 42 GLU H H 42 7.823 7.716 0.107 1
1 447 . 11 1 1 A 42 42 GLU HA H 42 4.377 4.185 0.192 1
1 450 . 11 1 1 A 42 42 GLU C C 42 177.669 177.535 0.134 1
1 451 . 11 1 1 A 42 42 GLU CA C 42 57.775 58.327 -0.552 1
1 452 . 11 1 1 A 42 42 GLU CB C 42 30.495 30.031 0.464 1
1 454 . 11 1 1 A 42 42 GLU N N 42 115.185 117.985 -2.800 1
1 455 . 11 1 1 A 43 43 ASN H H 43 7.817 7.985 -0.168 1
1 456 . 11 1 1 A 43 43 ASN HA H 43 4.845 4.840 0.005 1
1 461 . 11 1 1 A 43 43 ASN C C 43 174.634 175.270 -0.636 1
1 462 . 11 1 1 A 43 43 ASN CA C 43 54.343 54.010 0.333 1
1 463 . 11 1 1 A 43 43 ASN CB C 43 40.910 41.386 -0.476 1
1 464 . 11 1 1 A 43 43 ASN N N 43 115.082 116.067 -0.985 1
1 466 . 11 1 1 A 44 44 GLU H H 44 8.140 8.239 -0.099 1
1 467 . 11 1 1 A 44 44 GLU HA H 44 4.572 4.799 -0.227 1
1 471 . 11 1 1 A 44 44 GLU C C 44 172.191 175.537 -3.346 1
1 472 . 11 1 1 A 44 44 GLU CA C 44 55.221 54.616 0.605 1
1 473 . 11 1 1 A 44 44 GLU CB C 44 32.235 34.435 -2.200 1
1 475 . 11 1 1 A 44 44 GLU N N 44 119.186 116.936 2.250 1
1 476 . 11 1 1 A 45 45 ASP H H 45 8.392 8.535 -0.143 1
1 477 . 11 1 1 A 45 45 ASP HA H 45 5.044 4.917 0.127 1
1 480 . 11 1 1 A 45 45 ASP CA C 45 53.829 54.302 -0.473 1
1 481 . 11 1 1 A 45 45 ASP CB C 45 41.271 41.411 -0.140 1
1 482 . 11 1 1 A 45 45 ASP N N 45 121.008 121.345 -0.337 1
1 483 . 11 1 1 A 46 46 TYR H H 46 9.307 8.901 0.406 1
1 484 . 11 1 1 A 46 46 TYR HA H 46 4.508 4.656 -0.148 1
1 489 . 11 1 1 A 46 46 TYR C C 46 172.490 174.243 -1.753 1
1 490 . 11 1 1 A 46 46 TYR CA C 46 58.416 57.670 0.746 1
1 491 . 11 1 1 A 46 46 TYR CB C 46 39.842 38.459 1.383 1
1 494 . 11 1 1 A 46 46 TYR N N 46 124.739 126.291 -1.552 1
1 495 . 11 1 1 A 47 47 ILE H H 47 7.204 8.787 -1.583 1
1 496 . 11 1 1 A 47 47 ILE HA H 47 4.464 4.607 -0.143 1
1 506 . 11 1 1 A 47 47 ILE C C 47 174.754 174.485 0.269 1
1 507 . 11 1 1 A 47 47 ILE CA C 47 58.308 59.385 -1.077 1
1 508 . 11 1 1 A 47 47 ILE CB C 47 37.997 40.345 -2.348 1
1 512 . 11 1 1 A 47 47 ILE N N 47 128.235 127.669 0.566 1
1 513 . 11 1 1 A 48 48 CYS H H 48 9.441 7.991 1.450 1
1 514 . 11 1 1 A 48 48 CYS HA H 48 4.132 4.450 -0.318 1
1 517 . 11 1 1 A 48 48 CYS C C 48 175.259 175.362 -0.103 1
1 518 . 11 1 1 A 48 48 CYS CA C 48 58.247 55.980 2.267 1
1 519 . 11 1 1 A 48 48 CYS CB C 48 32.230 29.808 2.422 1
1 520 . 11 1 1 A 48 48 CYS N N 48 131.299 122.808 8.491 1
1 521 . 11 1 1 A 49 49 ILE H H 49 7.753 8.688 -0.935 1
1 522 . 11 1 1 A 49 49 ILE HA H 49 3.968 3.856 0.112 1
1 532 . 11 1 1 A 49 49 ILE C C 49 177.248 177.545 -0.297 1
1 533 . 11 1 1 A 49 49 ILE CA C 49 63.078 64.150 -1.072 1
1 534 . 11 1 1 A 49 49 ILE CB C 49 38.535 37.694 0.841 1
1 538 . 11 1 1 A 49 49 ILE N N 49 113.316 121.303 -7.987 1
1 539 . 11 1 1 A 50 50 ASN H H 50 8.884 7.766 1.118 1
1 540 . 11 1 1 A 50 50 ASN HA H 50 4.729 4.562 0.167 1
1 545 . 11 1 1 A 50 50 ASN C C 50 176.793 177.921 -1.128 1
1 546 . 11 1 1 A 50 50 ASN CA C 50 55.405 55.926 -0.521 1
1 547 . 11 1 1 A 50 50 ASN CB C 50 39.719 38.290 1.429 1
1 548 . 11 1 1 A 50 50 ASN N N 50 121.756 119.757 1.999 1
1 550 . 11 1 1 A 51 51 CYS H H 51 8.179 7.799 0.380 1
1 551 . 11 1 1 A 51 51 CYS HA H 51 4.121 4.352 -0.231 1
1 554 . 11 1 1 A 51 51 CYS C C 51 174.880 175.537 -0.657 1
1 555 . 11 1 1 A 51 51 CYS CA C 51 61.889 62.959 -1.070 1
1 556 . 11 1 1 A 51 51 CYS CB C 51 31.444 27.189 4.255 1
1 557 . 11 1 1 A 51 51 CYS N N 51 123.907 118.418 5.489 1
1 1 . 12 1 1 A 2 2 VAL H H 2 8.398 9.247 -0.849 1
1 2 . 12 1 1 A 2 2 VAL HA H 2 5.045 4.878 0.167 1
1 10 . 12 1 1 A 2 2 VAL C C 2 175.547 175.757 -0.210 1
1 11 . 12 1 1 A 2 2 VAL CA C 2 60.781 60.728 0.053 1
1 12 . 12 1 1 A 2 2 VAL CB C 2 34.251 34.898 -0.647 1
1 15 . 12 1 1 A 3 3 CYS H H 3 9.217 9.103 0.114 1
1 16 . 12 1 1 A 3 3 CYS HA H 3 5.017 5.010 0.007 1
1 19 . 12 1 1 A 3 3 CYS C C 3 174.515 174.530 -0.015 1
1 20 . 12 1 1 A 3 3 CYS CA C 3 57.354 57.309 0.045 1
1 21 . 12 1 1 A 3 3 CYS CB C 3 31.812 29.124 2.688 1
1 22 . 12 1 1 A 3 3 CYS N N 3 128.514 125.584 2.930 1
1 23 . 12 1 1 A 4 4 ALA H H 4 7.577 8.268 -0.691 1
1 24 . 12 1 1 A 4 4 ALA HA H 4 4.294 4.831 -0.537 1
1 28 . 12 1 1 A 4 4 ALA C C 4 177.618 176.469 1.149 1
1 29 . 12 1 1 A 4 4 ALA CA C 4 52.672 50.635 2.037 1
1 30 . 12 1 1 A 4 4 ALA CB C 4 18.970 20.149 -1.179 1
1 31 . 12 1 1 A 4 4 ALA N N 4 121.274 123.338 -2.064 1
1 32 . 12 1 1 A 5 5 ALA H H 5 9.064 8.360 0.704 1
1 33 . 12 1 1 A 5 5 ALA HA H 5 4.553 4.907 -0.354 1
1 37 . 12 1 1 A 5 5 ALA C C 5 177.906 177.220 0.686 1
1 38 . 12 1 1 A 5 5 ALA CA C 5 53.048 51.702 1.346 1
1 39 . 12 1 1 A 5 5 ALA CB C 5 19.508 22.175 -2.667 1
1 40 . 12 1 1 A 5 5 ALA N N 5 125.546 124.258 1.288 1
1 41 . 12 1 1 A 6 6 GLN H H 6 9.013 8.585 0.428 1
1 42 . 12 1 1 A 6 6 GLN HA H 6 4.099 4.157 -0.058 1
1 48 . 12 1 1 A 6 6 GLN C C 6 176.725 176.327 0.398 1
1 49 . 12 1 1 A 6 6 GLN CA C 6 58.528 59.033 -0.505 1
1 50 . 12 1 1 A 6 6 GLN CB C 6 28.394 28.904 -0.510 1
1 52 . 12 1 1 A 6 6 GLN N N 6 123.087 120.971 2.116 1
1 54 . 12 1 1 A 7 7 ASN H H 7 8.406 7.987 0.419 1
1 55 . 12 1 1 A 7 7 ASN HA H 7 4.883 5.066 -0.183 1
1 59 . 12 1 1 A 7 7 ASN C C 7 173.875 173.530 0.345 1
1 60 . 12 1 1 A 7 7 ASN CA C 7 51.765 52.411 -0.646 1
1 61 . 12 1 1 A 7 7 ASN CB C 7 37.899 40.099 -2.200 1
1 62 . 12 1 1 A 7 7 ASN N N 7 115.683 116.268 -0.585 1
1 64 . 12 1 1 A 8 8 CYS H H 8 7.743 8.905 -1.162 1
1 65 . 12 1 1 A 8 8 CYS HA H 8 4.975 4.766 0.209 1
1 68 . 12 1 1 A 8 8 CYS C C 8 177.334 176.567 0.767 1
1 69 . 12 1 1 A 8 8 CYS CA C 8 59.497 58.010 1.487 1
1 70 . 12 1 1 A 8 8 CYS CB C 8 29.111 29.584 -0.473 1
1 71 . 12 1 1 A 8 8 CYS N N 8 122.794 126.472 -3.678 1
1 72 . 12 1 1 A 9 9 GLN H H 9 9.862 8.826 1.036 1
1 73 . 12 1 1 A 9 9 GLN HA H 9 4.190 4.144 0.046 1
1 80 . 12 1 1 A 9 9 GLN C C 9 175.014 175.147 -0.133 1
1 81 . 12 1 1 A 9 9 GLN CA C 9 56.768 55.733 1.035 1
1 82 . 12 1 1 A 9 9 GLN CB C 9 28.755 28.847 -0.092 1
1 84 . 12 1 1 A 9 9 GLN N N 9 133.013 127.117 5.896 1
1 86 . 12 1 1 A 10 10 ARG H H 10 10.074 7.642 2.432 1
1 87 . 12 1 1 A 10 10 ARG HA H 10 4.152 3.895 0.257 1
1 93 . 12 1 1 A 10 10 ARG CA C 10 55.345 56.889 -1.544 1
1 94 . 12 1 1 A 10 10 ARG CB C 10 27.843 28.772 -0.929 1
1 97 . 12 1 1 A 10 10 ARG N N 10 122.014 119.261 2.753 1
1 98 . 12 1 1 A 11 11 PRO HA H 11 4.278 4.479 -0.201 1
1 104 . 12 1 1 A 11 11 PRO C C 11 177.028 175.507 1.521 1
1 105 . 12 1 1 A 11 11 PRO CA C 11 62.703 62.588 0.115 1
1 106 . 12 1 1 A 11 11 PRO CB C 11 31.618 31.984 -0.366 1
1 109 . 12 1 1 A 12 12 CYS H H 12 8.488 8.526 -0.038 1
1 110 . 12 1 1 A 12 12 CYS HA H 12 4.519 5.049 -0.530 1
1 113 . 12 1 1 A 12 12 CYS C C 12 174.690 173.312 1.378 1
1 114 . 12 1 1 A 12 12 CYS CA C 12 58.146 57.889 0.257 1
1 115 . 12 1 1 A 12 12 CYS CB C 12 28.174 29.957 -1.783 1
1 116 . 12 1 1 A 12 12 CYS N N 12 118.868 121.407 -2.539 1
1 117 . 12 1 1 A 13 13 LYS H H 13 7.827 8.426 -0.599 1
1 118 . 12 1 1 A 13 13 LYS HA H 13 4.231 4.830 -0.599 1
1 124 . 12 1 1 A 13 13 LYS C C 13 175.756 176.529 -0.773 1
1 125 . 12 1 1 A 13 13 LYS CA C 13 56.836 54.455 2.381 1
1 126 . 12 1 1 A 13 13 LYS CB C 13 33.502 35.802 -2.300 1
1 130 . 12 1 1 A 13 13 LYS N N 13 122.032 126.584 -4.552 1
1 131 . 12 1 1 A 14 14 ASP H H 14 8.348 8.544 -0.196 1
1 132 . 12 1 1 A 14 14 ASP HA H 14 4.429 4.497 -0.068 1
1 135 . 12 1 1 A 14 14 ASP C C 14 176.011 176.905 -0.894 1
1 136 . 12 1 1 A 14 14 ASP CA C 14 55.877 57.313 -1.436 1
1 137 . 12 1 1 A 14 14 ASP CB C 14 40.879 41.548 -0.669 1
1 138 . 12 1 1 A 14 14 ASP N N 14 119.433 121.499 -2.066 1
1 139 . 12 1 1 A 15 15 LYS H H 15 7.898 7.629 0.269 1
1 140 . 12 1 1 A 15 15 LYS HA H 15 4.448 4.680 -0.232 1
1 146 . 12 1 1 A 15 15 LYS C C 15 175.094 175.521 -0.427 1
1 147 . 12 1 1 A 15 15 LYS CA C 15 55.647 55.044 0.603 1
1 148 . 12 1 1 A 15 15 LYS CB C 15 32.563 33.387 -0.824 1
1 151 . 12 1 1 A 15 15 LYS N N 15 119.751 118.691 1.060 1
1 152 . 12 1 1 A 16 16 VAL H H 16 7.977 8.549 -0.572 1
1 153 . 12 1 1 A 16 16 VAL HA H 16 3.990 4.765 -0.775 1
1 161 . 12 1 1 A 16 16 VAL C C 16 173.871 174.072 -0.201 1
1 162 . 12 1 1 A 16 16 VAL CA C 16 61.261 60.417 0.844 1
1 163 . 12 1 1 A 16 16 VAL CB C 16 33.377 35.265 -1.888 1
1 166 . 12 1 1 A 16 16 VAL N N 16 122.186 124.912 -2.726 1
1 167 . 12 1 1 A 17 17 ASP H H 17 7.749 8.994 -1.245 1
1 168 . 12 1 1 A 17 17 ASP HA H 17 5.082 4.990 0.092 1
1 171 . 12 1 1 A 17 17 ASP C C 17 176.746 175.623 1.123 1
1 172 . 12 1 1 A 17 17 ASP CA C 17 54.120 55.145 -1.025 1
1 173 . 12 1 1 A 17 17 ASP CB C 17 42.721 41.723 0.998 1
1 174 . 12 1 1 A 17 17 ASP N N 17 122.699 127.564 -4.865 1
1 175 . 12 1 1 A 18 18 TRP H H 18 9.513 9.167 0.346 1
1 176 . 12 1 1 A 18 18 TRP HA H 18 5.604 5.467 0.137 1
1 185 . 12 1 1 A 18 18 TRP C C 18 176.365 174.557 1.808 1
1 186 . 12 1 1 A 18 18 TRP CA C 18 57.700 56.073 1.627 1
1 187 . 12 1 1 A 18 18 TRP CB C 18 34.107 34.657 -0.550 1
1 193 . 12 1 1 A 18 18 TRP N N 18 123.857 121.475 2.382 1
1 195 . 12 1 1 A 19 19 VAL H H 19 10.238 9.098 1.140 1
1 196 . 12 1 1 A 19 19 VAL HA H 19 4.670 4.888 -0.218 1
1 204 . 12 1 1 A 19 19 VAL CA C 19 61.089 59.897 1.192 1
1 205 . 12 1 1 A 19 19 VAL CB C 19 35.518 35.049 0.469 1
1 208 . 12 1 1 A 19 19 VAL N N 19 121.049 117.096 3.953 1
1 209 . 12 1 1 A 20 20 GLN H H 20 8.584 8.885 -0.301 1
1 210 . 12 1 1 A 20 20 GLN HA H 20 4.635 5.391 -0.756 1
1 217 . 12 1 1 A 20 20 GLN C C 20 175.662 175.478 0.184 1
1 218 . 12 1 1 A 20 20 GLN CA C 20 53.063 54.092 -1.029 1
1 219 . 12 1 1 A 20 20 GLN CB C 20 29.098 30.151 -1.053 1
1 221 . 12 1 1 A 20 20 GLN N N 20 130.340 124.115 6.225 1
1 223 . 12 1 1 A 21 21 CYS H H 21 8.740 9.045 -0.305 1
1 224 . 12 1 1 A 21 21 CYS HA H 21 4.588 5.266 -0.678 1
1 227 . 12 1 1 A 21 21 CYS CA C 21 60.617 58.615 2.002 1
1 228 . 12 1 1 A 21 21 CYS CB C 21 31.913 28.265 3.648 1
1 229 . 12 1 1 A 21 21 CYS N N 21 126.319 124.093 2.226 1
1 230 . 12 1 1 A 22 22 ASP H H 22 9.742 8.379 1.363 1
1 231 . 12 1 1 A 22 22 ASP HA H 22 5.079 4.748 0.331 1
1 234 . 12 1 1 A 22 22 ASP C C 22 178.015 176.737 1.278 1
1 235 . 12 1 1 A 22 22 ASP CA C 22 55.185 54.413 0.772 1
1 236 . 12 1 1 A 22 22 ASP CB C 22 42.664 41.280 1.384 1
1 237 . 12 1 1 A 22 22 ASP N N 22 130.603 126.491 4.112 1
1 238 . 12 1 1 A 23 23 GLY H H 23 10.762 8.051 2.711 1
1 239 . 12 1 1 A 23 23 GLY HA2 H 23 4.156 3.880 0.276 1
1 240 . 12 1 1 A 23 23 GLY HA3 H 23 3.536 3.900 -0.364 1
1 241 . 12 1 1 A 23 23 GLY C C 23 173.898 174.375 -0.477 1
1 242 . 12 1 1 A 23 23 GLY CA C 23 45.351 45.367 -0.016 1
1 243 . 12 1 1 A 23 23 GLY N N 23 116.158 108.108 8.050 1
1 244 . 12 1 1 A 24 24 GLY H H 24 8.904 7.355 1.549 1
1 245 . 12 1 1 A 24 24 GLY HA2 H 24 3.499 4.020 -0.521 1
1 246 . 12 1 1 A 24 24 GLY HA3 H 24 4.740 4.022 0.718 1
1 247 . 12 1 1 A 24 24 GLY C C 24 175.291 175.845 -0.554 1
1 248 . 12 1 1 A 24 24 GLY CA C 24 45.209 45.317 -0.108 1
1 249 . 12 1 1 A 24 24 GLY N N 24 109.769 106.959 2.810 1
1 250 . 12 1 1 A 25 25 CYS H H 25 7.639 8.132 -0.493 1
1 251 . 12 1 1 A 25 25 CYS HA H 25 4.465 4.491 -0.026 1
1 254 . 12 1 1 A 25 25 CYS C C 25 175.738 174.325 1.413 1
1 255 . 12 1 1 A 25 25 CYS CA C 25 60.097 60.690 -0.593 1
1 256 . 12 1 1 A 25 25 CYS CB C 25 30.248 28.400 1.848 1
1 257 . 12 1 1 A 25 25 CYS N N 25 119.776 119.858 -0.082 1
1 258 . 12 1 1 A 26 26 ASP H H 26 8.209 7.674 0.535 1
1 259 . 12 1 1 A 26 26 ASP HA H 26 4.283 4.222 0.061 1
1 261 . 12 1 1 A 26 26 ASP C C 26 175.280 174.947 0.333 1
1 262 . 12 1 1 A 26 26 ASP CA C 26 56.107 55.517 0.590 1
1 263 . 12 1 1 A 26 26 ASP CB C 26 39.958 39.708 0.250 1
1 264 . 12 1 1 A 26 26 ASP N N 26 117.501 117.829 -0.328 1
1 265 . 12 1 1 A 27 27 GLU H H 27 9.023 8.094 0.929 1
1 266 . 12 1 1 A 27 27 GLU HA H 27 4.372 4.736 -0.364 1
1 271 . 12 1 1 A 27 27 GLU C C 27 174.686 175.661 -0.975 1
1 272 . 12 1 1 A 27 27 GLU CA C 27 58.185 55.456 2.729 1
1 273 . 12 1 1 A 27 27 GLU CB C 27 30.552 30.865 -0.313 1
1 275 . 12 1 1 A 27 27 GLU N N 27 123.133 117.739 5.394 1
1 276 . 12 1 1 A 28 28 TRP H H 28 8.452 8.963 -0.511 1
1 277 . 12 1 1 A 28 28 TRP HA H 28 4.967 5.769 -0.802 1
1 286 . 12 1 1 A 28 28 TRP C C 28 175.501 175.801 -0.300 1
1 287 . 12 1 1 A 28 28 TRP CA C 28 57.211 55.191 2.020 1
1 288 . 12 1 1 A 28 28 TRP CB C 28 31.524 31.567 -0.043 1
1 294 . 12 1 1 A 28 28 TRP N N 28 118.126 120.503 -2.377 1
1 296 . 12 1 1 A 29 29 PHE H H 29 9.699 10.021 -0.322 1
1 297 . 12 1 1 A 29 29 PHE HA H 29 4.994 5.214 -0.220 1
1 303 . 12 1 1 A 29 29 PHE C C 29 176.176 175.106 1.070 1
1 304 . 12 1 1 A 29 29 PHE CA C 29 56.712 56.340 0.372 1
1 305 . 12 1 1 A 29 29 PHE CB C 29 43.056 43.427 -0.371 1
1 309 . 12 1 1 A 29 29 PHE N N 29 119.283 121.803 -2.520 1
1 310 . 12 1 1 A 30 30 HIS H H 30 9.676 8.353 1.323 1
1 311 . 12 1 1 A 30 30 HIS HA H 30 4.400 4.577 -0.177 1
1 316 . 12 1 1 A 30 30 HIS C C 30 177.509 176.037 1.472 1
1 317 . 12 1 1 A 30 30 HIS CA C 30 56.723 54.978 1.745 1
1 318 . 12 1 1 A 30 30 HIS CB C 30 29.686 31.283 -1.597 1
1 320 . 12 1 1 A 30 30 HIS N N 30 124.436 119.367 5.069 1
1 321 . 12 1 1 A 31 31 GLN H H 31 8.537 8.959 -0.422 1
1 322 . 12 1 1 A 31 31 GLN HA H 31 3.486 3.766 -0.280 1
1 329 . 12 1 1 A 31 31 GLN C C 31 179.005 178.385 0.620 1
1 330 . 12 1 1 A 31 31 GLN CA C 31 60.606 59.369 1.237 1
1 331 . 12 1 1 A 31 31 GLN CB C 31 26.624 28.195 -1.571 1
1 333 . 12 1 1 A 31 31 GLN N N 31 124.297 122.928 1.369 1
1 335 . 12 1 1 A 32 32 VAL H H 32 8.688 8.087 0.601 1
1 336 . 12 1 1 A 32 32 VAL HA H 32 4.060 3.791 0.269 1
1 344 . 12 1 1 A 32 32 VAL C C 32 178.001 177.585 0.416 1
1 345 . 12 1 1 A 32 32 VAL CA C 32 64.333 64.335 -0.002 1
1 346 . 12 1 1 A 32 32 VAL CB C 32 31.703 31.440 0.263 1
1 349 . 12 1 1 A 32 32 VAL N N 32 113.575 119.085 -5.510 1
1 350 . 12 1 1 A 33 33 CYS H H 33 6.893 8.188 -1.295 1
1 351 . 12 1 1 A 33 33 CYS HA H 33 4.151 4.221 -0.070 1
1 354 . 12 1 1 A 33 33 CYS C C 33 177.137 175.548 1.589 1
1 355 . 12 1 1 A 33 33 CYS CA C 33 62.650 61.670 0.980 1
1 356 . 12 1 1 A 33 33 CYS CB C 33 29.399 27.506 1.893 1
1 357 . 12 1 1 A 33 33 CYS N N 33 120.368 119.492 0.876 1
1 358 . 12 1 1 A 34 34 VAL H H 34 7.137 7.762 -0.625 1
1 359 . 12 1 1 A 34 34 VAL HA H 34 4.564 4.349 0.215 1
1 367 . 12 1 1 A 34 34 VAL C C 34 175.969 175.940 0.029 1
1 368 . 12 1 1 A 34 34 VAL CA C 34 60.138 62.289 -2.151 1
1 369 . 12 1 1 A 34 34 VAL CB C 34 31.887 31.799 0.088 1
1 372 . 12 1 1 A 34 34 VAL N N 34 106.615 118.796 -12.181 1
1 373 . 12 1 1 A 35 35 GLY H H 35 7.506 7.530 -0.024 1
1 374 . 12 1 1 A 35 35 GLY HA2 H 35 3.864 3.919 -0.055 1
1 375 . 12 1 1 A 35 35 GLY HA3 H 35 3.940 3.935 0.005 1
1 376 . 12 1 1 A 35 35 GLY C C 35 174.670 174.468 0.202 1
1 377 . 12 1 1 A 35 35 GLY CA C 35 47.029 46.915 0.114 1
1 378 . 12 1 1 A 35 35 GLY N N 35 110.034 111.414 -1.380 1
1 379 . 12 1 1 A 36 36 VAL H H 36 7.621 8.333 -0.712 1
1 380 . 12 1 1 A 36 36 VAL HA H 36 4.300 4.536 -0.236 1
1 388 . 12 1 1 A 36 36 VAL C C 36 174.260 175.223 -0.963 1
1 389 . 12 1 1 A 36 36 VAL CA C 36 61.084 60.512 0.572 1
1 390 . 12 1 1 A 36 36 VAL CB C 36 34.059 34.083 -0.024 1
1 393 . 12 1 1 A 36 36 VAL N N 36 119.403 119.843 -0.440 1
1 394 . 12 1 1 A 37 37 SER H H 37 8.007 8.762 -0.755 1
1 395 . 12 1 1 A 37 37 SER HA H 37 4.861 5.004 -0.143 1
1 398 . 12 1 1 A 37 37 SER CA C 37 55.564 55.821 -0.257 1
1 399 . 12 1 1 A 37 37 SER CB C 37 63.789 63.921 -0.132 1
1 400 . 12 1 1 A 37 37 SER N N 37 122.814 119.167 3.647 1
1 401 . 12 1 1 A 38 38 PRO HA H 38 4.337 4.728 -0.391 1
1 407 . 12 1 1 A 38 38 PRO C C 38 179.162 178.693 0.469 1
1 408 . 12 1 1 A 38 38 PRO CA C 38 65.551 65.399 0.152 1
1 409 . 12 1 1 A 38 38 PRO CB C 38 31.882 31.874 0.008 1
1 412 . 12 1 1 A 39 39 GLU H H 39 8.520 8.494 0.026 1
1 413 . 12 1 1 A 39 39 GLU HA H 39 4.126 4.047 0.079 1
1 418 . 12 1 1 A 39 39 GLU C C 39 178.588 179.049 -0.461 1
1 419 . 12 1 1 A 39 39 GLU CA C 39 59.321 59.536 -0.215 1
1 420 . 12 1 1 A 39 39 GLU CB C 39 29.016 28.941 0.075 1
1 422 . 12 1 1 A 39 39 GLU N N 39 116.621 117.532 -0.911 1
1 423 . 12 1 1 A 40 40 MET H H 40 7.707 7.802 -0.095 1
1 424 . 12 1 1 A 40 40 MET HA H 40 4.169 4.500 -0.331 1
1 431 . 12 1 1 A 40 40 MET C C 40 177.937 177.962 -0.025 1
1 432 . 12 1 1 A 40 40 MET CA C 40 58.076 56.909 1.167 1
1 433 . 12 1 1 A 40 40 MET CB C 40 33.752 31.628 2.124 1
1 436 . 12 1 1 A 40 40 MET N N 40 120.129 120.165 -0.036 1
1 437 . 12 1 1 A 41 41 ALA H H 41 8.214 7.915 0.299 1
1 438 . 12 1 1 A 41 41 ALA HA H 41 4.148 3.927 0.221 1
1 442 . 12 1 1 A 41 41 ALA C C 41 179.237 179.088 0.149 1
1 443 . 12 1 1 A 41 41 ALA CA C 41 54.188 55.519 -1.331 1
1 444 . 12 1 1 A 41 41 ALA CB C 41 18.596 18.676 -0.080 1
1 445 . 12 1 1 A 41 41 ALA N N 41 121.551 121.485 0.066 1
1 446 . 12 1 1 A 42 42 GLU H H 42 7.823 7.702 0.121 1
1 447 . 12 1 1 A 42 42 GLU HA H 42 4.377 4.157 0.220 1
1 450 . 12 1 1 A 42 42 GLU C C 42 177.669 177.327 0.342 1
1 451 . 12 1 1 A 42 42 GLU CA C 42 57.775 57.840 -0.065 1
1 452 . 12 1 1 A 42 42 GLU CB C 42 30.495 29.982 0.513 1
1 454 . 12 1 1 A 42 42 GLU N N 42 115.185 117.093 -1.908 1
1 455 . 12 1 1 A 43 43 ASN H H 43 7.817 7.679 0.138 1
1 456 . 12 1 1 A 43 43 ASN HA H 43 4.845 4.849 -0.004 1
1 461 . 12 1 1 A 43 43 ASN C C 43 174.634 175.051 -0.417 1
1 462 . 12 1 1 A 43 43 ASN CA C 43 54.343 54.134 0.209 1
1 463 . 12 1 1 A 43 43 ASN CB C 43 40.910 41.358 -0.448 1
1 464 . 12 1 1 A 43 43 ASN N N 43 115.082 115.860 -0.778 1
1 466 . 12 1 1 A 44 44 GLU H H 44 8.140 8.207 -0.067 1
1 467 . 12 1 1 A 44 44 GLU HA H 44 4.572 4.784 -0.212 1
1 471 . 12 1 1 A 44 44 GLU C C 44 172.191 175.706 -3.515 1
1 472 . 12 1 1 A 44 44 GLU CA C 44 55.221 54.675 0.546 1
1 473 . 12 1 1 A 44 44 GLU CB C 44 32.235 33.160 -0.925 1
1 475 . 12 1 1 A 44 44 GLU N N 44 119.186 117.170 2.016 1
1 476 . 12 1 1 A 45 45 ASP H H 45 8.392 8.682 -0.290 1
1 477 . 12 1 1 A 45 45 ASP HA H 45 5.044 4.769 0.275 1
1 480 . 12 1 1 A 45 45 ASP CA C 45 53.829 54.343 -0.514 1
1 481 . 12 1 1 A 45 45 ASP CB C 45 41.271 41.092 0.179 1
1 482 . 12 1 1 A 45 45 ASP N N 45 121.008 123.298 -2.290 1
1 483 . 12 1 1 A 46 46 TYR H H 46 9.307 8.860 0.447 1
1 484 . 12 1 1 A 46 46 TYR HA H 46 4.508 4.663 -0.155 1
1 489 . 12 1 1 A 46 46 TYR C C 46 172.490 174.444 -1.954 1
1 490 . 12 1 1 A 46 46 TYR CA C 46 58.416 58.334 0.082 1
1 491 . 12 1 1 A 46 46 TYR CB C 46 39.842 38.767 1.075 1
1 494 . 12 1 1 A 46 46 TYR N N 46 124.739 126.140 -1.401 1
1 495 . 12 1 1 A 47 47 ILE H H 47 7.204 8.696 -1.492 1
1 496 . 12 1 1 A 47 47 ILE HA H 47 4.464 4.475 -0.011 1
1 506 . 12 1 1 A 47 47 ILE C C 47 174.754 175.041 -0.287 1
1 507 . 12 1 1 A 47 47 ILE CA C 47 58.308 59.710 -1.402 1
1 508 . 12 1 1 A 47 47 ILE CB C 47 37.997 39.906 -1.909 1
1 512 . 12 1 1 A 47 47 ILE N N 47 128.235 127.586 0.649 1
1 513 . 12 1 1 A 48 48 CYS H H 48 9.441 8.145 1.296 1
1 514 . 12 1 1 A 48 48 CYS HA H 48 4.132 4.367 -0.235 1
1 517 . 12 1 1 A 48 48 CYS C C 48 175.259 175.184 0.075 1
1 518 . 12 1 1 A 48 48 CYS CA C 48 58.247 56.232 2.015 1
1 519 . 12 1 1 A 48 48 CYS CB C 48 32.230 29.132 3.098 1
1 520 . 12 1 1 A 48 48 CYS N N 48 131.299 123.232 8.067 1
1 521 . 12 1 1 A 49 49 ILE H H 49 7.753 8.626 -0.873 1
1 522 . 12 1 1 A 49 49 ILE HA H 49 3.968 3.859 0.109 1
1 532 . 12 1 1 A 49 49 ILE C C 49 177.248 177.680 -0.432 1
1 533 . 12 1 1 A 49 49 ILE CA C 49 63.078 64.225 -1.147 1
1 534 . 12 1 1 A 49 49 ILE CB C 49 38.535 37.682 0.853 1
1 538 . 12 1 1 A 49 49 ILE N N 49 113.316 121.571 -8.255 1
1 539 . 12 1 1 A 50 50 ASN H H 50 8.884 7.823 1.061 1
1 540 . 12 1 1 A 50 50 ASN HA H 50 4.729 4.572 0.157 1
1 545 . 12 1 1 A 50 50 ASN C C 50 176.793 177.887 -1.094 1
1 546 . 12 1 1 A 50 50 ASN CA C 50 55.405 56.033 -0.628 1
1 547 . 12 1 1 A 50 50 ASN CB C 50 39.719 38.096 1.623 1
1 548 . 12 1 1 A 50 50 ASN N N 50 121.756 119.641 2.115 1
1 550 . 12 1 1 A 51 51 CYS H H 51 8.179 7.962 0.217 1
1 551 . 12 1 1 A 51 51 CYS HA H 51 4.121 4.180 -0.059 1
1 554 . 12 1 1 A 51 51 CYS C C 51 174.880 176.249 -1.369 1
1 555 . 12 1 1 A 51 51 CYS CA C 51 61.889 63.359 -1.470 1
1 556 . 12 1 1 A 51 51 CYS CB C 51 31.444 26.996 4.448 1
1 557 . 12 1 1 A 51 51 CYS N N 51 123.907 118.372 5.535 1
1 1 . 13 1 1 A 2 2 VAL H H 2 8.398 8.645 -0.247 1
1 2 . 13 1 1 A 2 2 VAL HA H 2 5.045 4.729 0.316 1
1 10 . 13 1 1 A 2 2 VAL C C 2 175.547 175.829 -0.282 1
1 11 . 13 1 1 A 2 2 VAL CA C 2 60.781 60.739 0.042 1
1 12 . 13 1 1 A 2 2 VAL CB C 2 34.251 34.824 -0.573 1
1 15 . 13 1 1 A 3 3 CYS H H 3 9.217 9.100 0.117 1
1 16 . 13 1 1 A 3 3 CYS HA H 3 5.017 4.861 0.156 1
1 19 . 13 1 1 A 3 3 CYS C C 3 174.515 174.415 0.100 1
1 20 . 13 1 1 A 3 3 CYS CA C 3 57.354 57.696 -0.342 1
1 21 . 13 1 1 A 3 3 CYS CB C 3 31.812 29.466 2.346 1
1 22 . 13 1 1 A 3 3 CYS N N 3 128.514 126.704 1.810 1
1 23 . 13 1 1 A 4 4 ALA H H 4 7.577 8.337 -0.760 1
1 24 . 13 1 1 A 4 4 ALA HA H 4 4.294 4.887 -0.593 1
1 28 . 13 1 1 A 4 4 ALA C C 4 177.618 176.223 1.395 1
1 29 . 13 1 1 A 4 4 ALA CA C 4 52.672 50.311 2.361 1
1 30 . 13 1 1 A 4 4 ALA CB C 4 18.970 20.222 -1.252 1
1 31 . 13 1 1 A 4 4 ALA N N 4 121.274 123.657 -2.383 1
1 32 . 13 1 1 A 5 5 ALA H H 5 9.064 8.181 0.883 1
1 33 . 13 1 1 A 5 5 ALA HA H 5 4.553 4.923 -0.370 1
1 37 . 13 1 1 A 5 5 ALA C C 5 177.906 177.166 0.740 1
1 38 . 13 1 1 A 5 5 ALA CA C 5 53.048 51.492 1.556 1
1 39 . 13 1 1 A 5 5 ALA CB C 5 19.508 22.220 -2.712 1
1 40 . 13 1 1 A 5 5 ALA N N 5 125.546 123.891 1.655 1
1 41 . 13 1 1 A 6 6 GLN H H 6 9.013 8.597 0.416 1
1 42 . 13 1 1 A 6 6 GLN HA H 6 4.099 4.156 -0.057 1
1 48 . 13 1 1 A 6 6 GLN C C 6 176.725 176.214 0.511 1
1 49 . 13 1 1 A 6 6 GLN CA C 6 58.528 58.981 -0.453 1
1 50 . 13 1 1 A 6 6 GLN CB C 6 28.394 28.879 -0.485 1
1 52 . 13 1 1 A 6 6 GLN N N 6 123.087 120.786 2.301 1
1 54 . 13 1 1 A 7 7 ASN H H 7 8.406 7.971 0.435 1
1 55 . 13 1 1 A 7 7 ASN HA H 7 4.883 5.089 -0.206 1
1 59 . 13 1 1 A 7 7 ASN C C 7 173.875 173.353 0.522 1
1 60 . 13 1 1 A 7 7 ASN CA C 7 51.765 52.802 -1.037 1
1 61 . 13 1 1 A 7 7 ASN CB C 7 37.899 40.695 -2.796 1
1 62 . 13 1 1 A 7 7 ASN N N 7 115.683 116.092 -0.409 1
1 64 . 13 1 1 A 8 8 CYS H H 8 7.743 8.841 -1.098 1
1 65 . 13 1 1 A 8 8 CYS HA H 8 4.975 4.816 0.159 1
1 68 . 13 1 1 A 8 8 CYS C C 8 177.334 176.359 0.975 1
1 69 . 13 1 1 A 8 8 CYS CA C 8 59.497 57.345 2.152 1
1 70 . 13 1 1 A 8 8 CYS CB C 8 29.111 29.965 -0.854 1
1 71 . 13 1 1 A 8 8 CYS N N 8 122.794 126.381 -3.587 1
1 72 . 13 1 1 A 9 9 GLN H H 9 9.862 8.829 1.033 1
1 73 . 13 1 1 A 9 9 GLN HA H 9 4.190 4.177 0.013 1
1 80 . 13 1 1 A 9 9 GLN C C 9 175.014 175.073 -0.059 1
1 81 . 13 1 1 A 9 9 GLN CA C 9 56.768 55.764 1.004 1
1 82 . 13 1 1 A 9 9 GLN CB C 9 28.755 28.878 -0.123 1
1 84 . 13 1 1 A 9 9 GLN N N 9 133.013 126.966 6.047 1
1 86 . 13 1 1 A 10 10 ARG H H 10 10.074 7.423 2.651 1
1 87 . 13 1 1 A 10 10 ARG HA H 10 4.152 3.937 0.215 1
1 93 . 13 1 1 A 10 10 ARG CA C 10 55.345 56.357 -1.012 1
1 94 . 13 1 1 A 10 10 ARG CB C 10 27.843 28.279 -0.436 1
1 97 . 13 1 1 A 10 10 ARG N N 10 122.014 115.659 6.355 1
1 98 . 13 1 1 A 11 11 PRO HA H 11 4.278 4.608 -0.330 1
1 104 . 13 1 1 A 11 11 PRO C C 11 177.028 175.489 1.539 1
1 105 . 13 1 1 A 11 11 PRO CA C 11 62.703 62.386 0.317 1
1 106 . 13 1 1 A 11 11 PRO CB C 11 31.618 32.262 -0.644 1
1 109 . 13 1 1 A 12 12 CYS H H 12 8.488 8.654 -0.166 1
1 110 . 13 1 1 A 12 12 CYS HA H 12 4.519 5.223 -0.704 1
1 113 . 13 1 1 A 12 12 CYS C C 12 174.690 173.324 1.366 1
1 114 . 13 1 1 A 12 12 CYS CA C 12 58.146 57.959 0.187 1
1 115 . 13 1 1 A 12 12 CYS CB C 12 28.174 30.277 -2.103 1
1 116 . 13 1 1 A 12 12 CYS N N 12 118.868 121.043 -2.175 1
1 117 . 13 1 1 A 13 13 LYS H H 13 7.827 8.588 -0.761 1
1 118 . 13 1 1 A 13 13 LYS HA H 13 4.231 4.848 -0.617 1
1 124 . 13 1 1 A 13 13 LYS C C 13 175.756 176.409 -0.653 1
1 125 . 13 1 1 A 13 13 LYS CA C 13 56.836 54.640 2.196 1
1 126 . 13 1 1 A 13 13 LYS CB C 13 33.502 36.465 -2.963 1
1 130 . 13 1 1 A 13 13 LYS N N 13 122.032 126.881 -4.849 1
1 131 . 13 1 1 A 14 14 ASP H H 14 8.348 8.688 -0.340 1
1 132 . 13 1 1 A 14 14 ASP HA H 14 4.429 4.451 -0.022 1
1 135 . 13 1 1 A 14 14 ASP C C 14 176.011 176.341 -0.330 1
1 136 . 13 1 1 A 14 14 ASP CA C 14 55.877 56.213 -0.336 1
1 137 . 13 1 1 A 14 14 ASP CB C 14 40.879 40.380 0.499 1
1 138 . 13 1 1 A 14 14 ASP N N 14 119.433 122.080 -2.647 1
1 139 . 13 1 1 A 15 15 LYS H H 15 7.898 7.740 0.158 1
1 140 . 13 1 1 A 15 15 LYS HA H 15 4.448 4.583 -0.135 1
1 146 . 13 1 1 A 15 15 LYS C C 15 175.094 175.016 0.078 1
1 147 . 13 1 1 A 15 15 LYS CA C 15 55.647 55.252 0.395 1
1 148 . 13 1 1 A 15 15 LYS CB C 15 32.563 32.588 -0.025 1
1 151 . 13 1 1 A 15 15 LYS N N 15 119.751 116.963 2.788 1
1 152 . 13 1 1 A 16 16 VAL H H 16 7.977 7.121 0.856 1
1 153 . 13 1 1 A 16 16 VAL HA H 16 3.990 4.678 -0.688 1
1 161 . 13 1 1 A 16 16 VAL C C 16 173.871 174.431 -0.560 1
1 162 . 13 1 1 A 16 16 VAL CA C 16 61.261 60.822 0.439 1
1 163 . 13 1 1 A 16 16 VAL CB C 16 33.377 34.259 -0.882 1
1 166 . 13 1 1 A 16 16 VAL N N 16 122.186 120.851 1.335 1
1 167 . 13 1 1 A 17 17 ASP H H 17 7.749 9.112 -1.363 1
1 168 . 13 1 1 A 17 17 ASP HA H 17 5.082 5.015 0.067 1
1 171 . 13 1 1 A 17 17 ASP C C 17 176.746 175.776 0.970 1
1 172 . 13 1 1 A 17 17 ASP CA C 17 54.120 54.411 -0.291 1
1 173 . 13 1 1 A 17 17 ASP CB C 17 42.721 42.088 0.633 1
1 174 . 13 1 1 A 17 17 ASP N N 17 122.699 130.326 -7.627 1
1 175 . 13 1 1 A 18 18 TRP H H 18 9.513 9.284 0.229 1
1 176 . 13 1 1 A 18 18 TRP HA H 18 5.604 5.517 0.087 1
1 185 . 13 1 1 A 18 18 TRP C C 18 176.365 175.000 1.365 1
1 186 . 13 1 1 A 18 18 TRP CA C 18 57.700 56.083 1.617 1
1 187 . 13 1 1 A 18 18 TRP CB C 18 34.107 32.678 1.429 1
1 193 . 13 1 1 A 18 18 TRP N N 18 123.857 124.957 -1.100 1
1 195 . 13 1 1 A 19 19 VAL H H 19 10.238 9.065 1.173 1
1 196 . 13 1 1 A 19 19 VAL HA H 19 4.670 4.861 -0.191 1
1 204 . 13 1 1 A 19 19 VAL CA C 19 61.089 59.822 1.267 1
1 205 . 13 1 1 A 19 19 VAL CB C 19 35.518 34.667 0.851 1
1 208 . 13 1 1 A 19 19 VAL N N 19 121.049 116.355 4.694 1
1 209 . 13 1 1 A 20 20 GLN H H 20 8.584 8.840 -0.256 1
1 210 . 13 1 1 A 20 20 GLN HA H 20 4.635 5.159 -0.524 1
1 217 . 13 1 1 A 20 20 GLN C C 20 175.662 175.404 0.258 1
1 218 . 13 1 1 A 20 20 GLN CA C 20 53.063 53.944 -0.881 1
1 219 . 13 1 1 A 20 20 GLN CB C 20 29.098 30.110 -1.012 1
1 221 . 13 1 1 A 20 20 GLN N N 20 130.340 123.917 6.423 1
1 223 . 13 1 1 A 21 21 CYS H H 21 8.740 9.007 -0.267 1
1 224 . 13 1 1 A 21 21 CYS HA H 21 4.588 5.029 -0.441 1
1 227 . 13 1 1 A 21 21 CYS CA C 21 60.617 58.785 1.832 1
1 228 . 13 1 1 A 21 21 CYS CB C 21 31.913 27.638 4.275 1
1 229 . 13 1 1 A 21 21 CYS N N 21 126.319 124.101 2.218 1
1 230 . 13 1 1 A 22 22 ASP H H 22 9.742 8.739 1.003 1
1 231 . 13 1 1 A 22 22 ASP HA H 22 5.079 4.554 0.525 1
1 234 . 13 1 1 A 22 22 ASP C C 22 178.015 176.769 1.246 1
1 235 . 13 1 1 A 22 22 ASP CA C 22 55.185 54.782 0.403 1
1 236 . 13 1 1 A 22 22 ASP CB C 22 42.664 40.459 2.205 1
1 237 . 13 1 1 A 22 22 ASP N N 22 130.603 126.501 4.102 1
1 238 . 13 1 1 A 23 23 GLY H H 23 10.762 7.927 2.835 1
1 239 . 13 1 1 A 23 23 GLY HA2 H 23 4.156 3.848 0.308 1
1 240 . 13 1 1 A 23 23 GLY HA3 H 23 3.536 3.873 -0.337 1
1 241 . 13 1 1 A 23 23 GLY C C 23 173.898 174.394 -0.496 1
1 242 . 13 1 1 A 23 23 GLY CA C 23 45.351 45.482 -0.131 1
1 243 . 13 1 1 A 23 23 GLY N N 23 116.158 107.883 8.275 1
1 244 . 13 1 1 A 24 24 GLY H H 24 8.904 7.388 1.516 1
1 245 . 13 1 1 A 24 24 GLY HA2 H 24 3.499 4.014 -0.515 1
1 246 . 13 1 1 A 24 24 GLY HA3 H 24 4.740 4.015 0.725 1
1 247 . 13 1 1 A 24 24 GLY C C 24 175.291 175.911 -0.620 1
1 248 . 13 1 1 A 24 24 GLY CA C 24 45.209 45.269 -0.060 1
1 249 . 13 1 1 A 24 24 GLY N N 24 109.769 106.792 2.977 1
1 250 . 13 1 1 A 25 25 CYS H H 25 7.639 8.140 -0.501 1
1 251 . 13 1 1 A 25 25 CYS HA H 25 4.465 4.511 -0.046 1
1 254 . 13 1 1 A 25 25 CYS C C 25 175.738 174.263 1.475 1
1 255 . 13 1 1 A 25 25 CYS CA C 25 60.097 59.865 0.232 1
1 256 . 13 1 1 A 25 25 CYS CB C 25 30.248 28.499 1.749 1
1 257 . 13 1 1 A 25 25 CYS N N 25 119.776 119.827 -0.051 1
1 258 . 13 1 1 A 26 26 ASP H H 26 8.209 7.964 0.245 1
1 259 . 13 1 1 A 26 26 ASP HA H 26 4.283 4.231 0.052 1
1 261 . 13 1 1 A 26 26 ASP C C 26 175.280 175.023 0.257 1
1 262 . 13 1 1 A 26 26 ASP CA C 26 56.107 55.519 0.588 1
1 263 . 13 1 1 A 26 26 ASP CB C 26 39.958 39.744 0.214 1
1 264 . 13 1 1 A 26 26 ASP N N 26 117.501 118.038 -0.537 1
1 265 . 13 1 1 A 27 27 GLU H H 27 9.023 8.095 0.928 1
1 266 . 13 1 1 A 27 27 GLU HA H 27 4.372 4.629 -0.257 1
1 271 . 13 1 1 A 27 27 GLU C C 27 174.686 175.816 -1.130 1
1 272 . 13 1 1 A 27 27 GLU CA C 27 58.185 55.728 2.457 1
1 273 . 13 1 1 A 27 27 GLU CB C 27 30.552 30.785 -0.233 1
1 275 . 13 1 1 A 27 27 GLU N N 27 123.133 117.774 5.359 1
1 276 . 13 1 1 A 28 28 TRP H H 28 8.452 9.051 -0.599 1
1 277 . 13 1 1 A 28 28 TRP HA H 28 4.967 5.870 -0.903 1
1 286 . 13 1 1 A 28 28 TRP C C 28 175.501 175.769 -0.268 1
1 287 . 13 1 1 A 28 28 TRP CA C 28 57.211 55.368 1.843 1
1 288 . 13 1 1 A 28 28 TRP CB C 28 31.524 31.691 -0.167 1
1 294 . 13 1 1 A 28 28 TRP N N 28 118.126 121.377 -3.251 1
1 296 . 13 1 1 A 29 29 PHE H H 29 9.699 10.060 -0.361 1
1 297 . 13 1 1 A 29 29 PHE HA H 29 4.994 5.238 -0.244 1
1 303 . 13 1 1 A 29 29 PHE C C 29 176.176 175.215 0.961 1
1 304 . 13 1 1 A 29 29 PHE CA C 29 56.712 56.528 0.184 1
1 305 . 13 1 1 A 29 29 PHE CB C 29 43.056 43.052 0.004 1
1 309 . 13 1 1 A 29 29 PHE N N 29 119.283 122.219 -2.936 1
1 310 . 13 1 1 A 30 30 HIS H H 30 9.676 8.351 1.325 1
1 311 . 13 1 1 A 30 30 HIS HA H 30 4.400 4.563 -0.163 1
1 316 . 13 1 1 A 30 30 HIS C C 30 177.509 176.044 1.465 1
1 317 . 13 1 1 A 30 30 HIS CA C 30 56.723 54.856 1.867 1
1 318 . 13 1 1 A 30 30 HIS CB C 30 29.686 31.349 -1.663 1
1 320 . 13 1 1 A 30 30 HIS N N 30 124.436 119.352 5.084 1
1 321 . 13 1 1 A 31 31 GLN H H 31 8.537 8.838 -0.301 1
1 322 . 13 1 1 A 31 31 GLN HA H 31 3.486 3.743 -0.257 1
1 329 . 13 1 1 A 31 31 GLN C C 31 179.005 178.203 0.802 1
1 330 . 13 1 1 A 31 31 GLN CA C 31 60.606 59.119 1.487 1
1 331 . 13 1 1 A 31 31 GLN CB C 31 26.624 28.246 -1.622 1
1 333 . 13 1 1 A 31 31 GLN N N 31 124.297 122.983 1.314 1
1 335 . 13 1 1 A 32 32 VAL H H 32 8.688 7.986 0.702 1
1 336 . 13 1 1 A 32 32 VAL HA H 32 4.060 3.818 0.242 1
1 344 . 13 1 1 A 32 32 VAL C C 32 178.001 177.599 0.402 1
1 345 . 13 1 1 A 32 32 VAL CA C 32 64.333 64.542 -0.209 1
1 346 . 13 1 1 A 32 32 VAL CB C 32 31.703 31.562 0.141 1
1 349 . 13 1 1 A 32 32 VAL N N 32 113.575 119.022 -5.447 1
1 350 . 13 1 1 A 33 33 CYS H H 33 6.893 8.054 -1.161 1
1 351 . 13 1 1 A 33 33 CYS HA H 33 4.151 4.145 0.006 1
1 354 . 13 1 1 A 33 33 CYS C C 33 177.137 175.646 1.491 1
1 355 . 13 1 1 A 33 33 CYS CA C 33 62.650 61.428 1.222 1
1 356 . 13 1 1 A 33 33 CYS CB C 33 29.399 27.112 2.287 1
1 357 . 13 1 1 A 33 33 CYS N N 33 120.368 119.598 0.770 1
1 358 . 13 1 1 A 34 34 VAL H H 34 7.137 7.869 -0.732 1
1 359 . 13 1 1 A 34 34 VAL HA H 34 4.564 4.348 0.216 1
1 367 . 13 1 1 A 34 34 VAL C C 34 175.969 175.934 0.035 1
1 368 . 13 1 1 A 34 34 VAL CA C 34 60.138 62.566 -2.428 1
1 369 . 13 1 1 A 34 34 VAL CB C 34 31.887 32.168 -0.281 1
1 372 . 13 1 1 A 34 34 VAL N N 34 106.615 118.699 -12.084 1
1 373 . 13 1 1 A 35 35 GLY H H 35 7.506 7.839 -0.333 1
1 374 . 13 1 1 A 35 35 GLY HA2 H 35 3.864 3.919 -0.055 1
1 375 . 13 1 1 A 35 35 GLY HA3 H 35 3.940 3.935 0.005 1
1 376 . 13 1 1 A 35 35 GLY C C 35 174.670 174.322 0.348 1
1 377 . 13 1 1 A 35 35 GLY CA C 35 47.029 46.916 0.113 1
1 378 . 13 1 1 A 35 35 GLY N N 35 110.034 111.544 -1.510 1
1 379 . 13 1 1 A 36 36 VAL H H 36 7.621 8.174 -0.553 1
1 380 . 13 1 1 A 36 36 VAL HA H 36 4.300 4.598 -0.298 1
1 388 . 13 1 1 A 36 36 VAL C C 36 174.260 174.888 -0.628 1
1 389 . 13 1 1 A 36 36 VAL CA C 36 61.084 60.320 0.764 1
1 390 . 13 1 1 A 36 36 VAL CB C 36 34.059 35.128 -1.069 1
1 393 . 13 1 1 A 36 36 VAL N N 36 119.403 119.774 -0.371 1
1 394 . 13 1 1 A 37 37 SER H H 37 8.007 8.719 -0.712 1
1 395 . 13 1 1 A 37 37 SER HA H 37 4.861 5.023 -0.162 1
1 398 . 13 1 1 A 37 37 SER CA C 37 55.564 55.856 -0.292 1
1 399 . 13 1 1 A 37 37 SER CB C 37 63.789 63.918 -0.129 1
1 400 . 13 1 1 A 37 37 SER N N 37 122.814 119.364 3.450 1
1 401 . 13 1 1 A 38 38 PRO HA H 38 4.337 4.821 -0.484 1
1 407 . 13 1 1 A 38 38 PRO C C 38 179.162 177.908 1.254 1
1 408 . 13 1 1 A 38 38 PRO CA C 38 65.551 65.047 0.504 1
1 409 . 13 1 1 A 38 38 PRO CB C 38 31.882 32.007 -0.125 1
1 412 . 13 1 1 A 39 39 GLU H H 39 8.520 8.266 0.254 1
1 413 . 13 1 1 A 39 39 GLU HA H 39 4.126 4.134 -0.008 1
1 418 . 13 1 1 A 39 39 GLU C C 39 178.588 178.953 -0.365 1
1 419 . 13 1 1 A 39 39 GLU CA C 39 59.321 59.349 -0.028 1
1 420 . 13 1 1 A 39 39 GLU CB C 39 29.016 29.038 -0.022 1
1 422 . 13 1 1 A 39 39 GLU N N 39 116.621 118.098 -1.477 1
1 423 . 13 1 1 A 40 40 MET H H 40 7.707 7.942 -0.235 1
1 424 . 13 1 1 A 40 40 MET HA H 40 4.169 4.501 -0.332 1
1 431 . 13 1 1 A 40 40 MET C C 40 177.937 177.948 -0.011 1
1 432 . 13 1 1 A 40 40 MET CA C 40 58.076 56.980 1.096 1
1 433 . 13 1 1 A 40 40 MET CB C 40 33.752 31.681 2.071 1
1 436 . 13 1 1 A 40 40 MET N N 40 120.129 119.539 0.590 1
1 437 . 13 1 1 A 41 41 ALA H H 41 8.214 7.909 0.305 1
1 438 . 13 1 1 A 41 41 ALA HA H 41 4.148 3.942 0.206 1
1 442 . 13 1 1 A 41 41 ALA C C 41 179.237 179.268 -0.031 1
1 443 . 13 1 1 A 41 41 ALA CA C 41 54.188 55.540 -1.352 1
1 444 . 13 1 1 A 41 41 ALA CB C 41 18.596 18.635 -0.039 1
1 445 . 13 1 1 A 41 41 ALA N N 41 121.551 121.480 0.071 1
1 446 . 13 1 1 A 42 42 GLU H H 42 7.823 7.685 0.138 1
1 447 . 13 1 1 A 42 42 GLU HA H 42 4.377 4.221 0.156 1
1 450 . 13 1 1 A 42 42 GLU C C 42 177.669 177.576 0.093 1
1 451 . 13 1 1 A 42 42 GLU CA C 42 57.775 58.252 -0.477 1
1 452 . 13 1 1 A 42 42 GLU CB C 42 30.495 30.084 0.411 1
1 454 . 13 1 1 A 42 42 GLU N N 42 115.185 117.899 -2.714 1
1 455 . 13 1 1 A 43 43 ASN H H 43 7.817 7.703 0.114 1
1 456 . 13 1 1 A 43 43 ASN HA H 43 4.845 4.856 -0.011 1
1 461 . 13 1 1 A 43 43 ASN C C 43 174.634 175.324 -0.690 1
1 462 . 13 1 1 A 43 43 ASN CA C 43 54.343 54.155 0.188 1
1 463 . 13 1 1 A 43 43 ASN CB C 43 40.910 41.029 -0.119 1
1 464 . 13 1 1 A 43 43 ASN N N 43 115.082 116.137 -1.055 1
1 466 . 13 1 1 A 44 44 GLU H H 44 8.140 8.049 0.091 1
1 467 . 13 1 1 A 44 44 GLU HA H 44 4.572 4.800 -0.228 1
1 471 . 13 1 1 A 44 44 GLU C C 44 172.191 175.277 -3.086 1
1 472 . 13 1 1 A 44 44 GLU CA C 44 55.221 54.606 0.615 1
1 473 . 13 1 1 A 44 44 GLU CB C 44 32.235 34.672 -2.437 1
1 475 . 13 1 1 A 44 44 GLU N N 44 119.186 116.926 2.260 1
1 476 . 13 1 1 A 45 45 ASP H H 45 8.392 8.531 -0.139 1
1 477 . 13 1 1 A 45 45 ASP HA H 45 5.044 4.921 0.123 1
1 480 . 13 1 1 A 45 45 ASP CA C 45 53.829 54.400 -0.571 1
1 481 . 13 1 1 A 45 45 ASP CB C 45 41.271 41.418 -0.147 1
1 482 . 13 1 1 A 45 45 ASP N N 45 121.008 120.997 0.011 1
1 483 . 13 1 1 A 46 46 TYR H H 46 9.307 8.949 0.358 1
1 484 . 13 1 1 A 46 46 TYR HA H 46 4.508 4.616 -0.108 1
1 489 . 13 1 1 A 46 46 TYR C C 46 172.490 174.452 -1.962 1
1 490 . 13 1 1 A 46 46 TYR CA C 46 58.416 58.109 0.307 1
1 491 . 13 1 1 A 46 46 TYR CB C 46 39.842 38.439 1.403 1
1 494 . 13 1 1 A 46 46 TYR N N 46 124.739 126.213 -1.474 1
1 495 . 13 1 1 A 47 47 ILE H H 47 7.204 8.846 -1.642 1
1 496 . 13 1 1 A 47 47 ILE HA H 47 4.464 4.456 0.008 1
1 506 . 13 1 1 A 47 47 ILE C C 47 174.754 174.838 -0.084 1
1 507 . 13 1 1 A 47 47 ILE CA C 47 58.308 59.655 -1.347 1
1 508 . 13 1 1 A 47 47 ILE CB C 47 37.997 39.795 -1.798 1
1 512 . 13 1 1 A 47 47 ILE N N 47 128.235 127.830 0.405 1
1 513 . 13 1 1 A 48 48 CYS H H 48 9.441 8.011 1.430 1
1 514 . 13 1 1 A 48 48 CYS HA H 48 4.132 4.469 -0.337 1
1 517 . 13 1 1 A 48 48 CYS C C 48 175.259 175.390 -0.131 1
1 518 . 13 1 1 A 48 48 CYS CA C 48 58.247 55.930 2.317 1
1 519 . 13 1 1 A 48 48 CYS CB C 48 32.230 29.281 2.949 1
1 520 . 13 1 1 A 48 48 CYS N N 48 131.299 123.426 7.873 1
1 521 . 13 1 1 A 49 49 ILE H H 49 7.753 8.678 -0.925 1
1 522 . 13 1 1 A 49 49 ILE HA H 49 3.968 3.843 0.125 1
1 532 . 13 1 1 A 49 49 ILE C C 49 177.248 177.574 -0.326 1
1 533 . 13 1 1 A 49 49 ILE CA C 49 63.078 64.321 -1.243 1
1 534 . 13 1 1 A 49 49 ILE CB C 49 38.535 37.665 0.870 1
1 538 . 13 1 1 A 49 49 ILE N N 49 113.316 121.312 -7.996 1
1 539 . 13 1 1 A 50 50 ASN H H 50 8.884 7.993 0.891 1
1 540 . 13 1 1 A 50 50 ASN HA H 50 4.729 4.591 0.138 1
1 545 . 13 1 1 A 50 50 ASN C C 50 176.793 177.456 -0.663 1
1 546 . 13 1 1 A 50 50 ASN CA C 50 55.405 55.717 -0.312 1
1 547 . 13 1 1 A 50 50 ASN CB C 50 39.719 38.101 1.618 1
1 548 . 13 1 1 A 50 50 ASN N N 50 121.756 119.574 2.182 1
1 550 . 13 1 1 A 51 51 CYS H H 51 8.179 7.697 0.482 1
1 551 . 13 1 1 A 51 51 CYS HA H 51 4.121 4.354 -0.233 1
1 554 . 13 1 1 A 51 51 CYS C C 51 174.880 176.093 -1.213 1
1 555 . 13 1 1 A 51 51 CYS CA C 51 61.889 62.959 -1.070 1
1 556 . 13 1 1 A 51 51 CYS CB C 51 31.444 27.515 3.929 1
1 557 . 13 1 1 A 51 51 CYS N N 51 123.907 118.157 5.750 1
1 1 . 14 1 1 A 2 2 VAL H H 2 8.398 7.734 0.664 1
1 2 . 14 1 1 A 2 2 VAL HA H 2 5.045 4.743 0.302 1
1 10 . 14 1 1 A 2 2 VAL C C 2 175.547 175.627 -0.080 1
1 11 . 14 1 1 A 2 2 VAL CA C 2 60.781 60.442 0.339 1
1 12 . 14 1 1 A 2 2 VAL CB C 2 34.251 34.849 -0.598 1
1 15 . 14 1 1 A 3 3 CYS H H 3 9.217 9.086 0.131 1
1 16 . 14 1 1 A 3 3 CYS HA H 3 5.017 4.964 0.053 1
1 19 . 14 1 1 A 3 3 CYS C C 3 174.515 174.541 -0.026 1
1 20 . 14 1 1 A 3 3 CYS CA C 3 57.354 57.522 -0.168 1
1 21 . 14 1 1 A 3 3 CYS CB C 3 31.812 29.052 2.760 1
1 22 . 14 1 1 A 3 3 CYS N N 3 128.514 125.593 2.921 1
1 23 . 14 1 1 A 4 4 ALA H H 4 7.577 8.344 -0.767 1
1 24 . 14 1 1 A 4 4 ALA HA H 4 4.294 4.834 -0.540 1
1 28 . 14 1 1 A 4 4 ALA C C 4 177.618 176.366 1.252 1
1 29 . 14 1 1 A 4 4 ALA CA C 4 52.672 50.427 2.245 1
1 30 . 14 1 1 A 4 4 ALA CB C 4 18.970 20.318 -1.348 1
1 31 . 14 1 1 A 4 4 ALA N N 4 121.274 123.458 -2.184 1
1 32 . 14 1 1 A 5 5 ALA H H 5 9.064 8.252 0.812 1
1 33 . 14 1 1 A 5 5 ALA HA H 5 4.553 4.936 -0.383 1
1 37 . 14 1 1 A 5 5 ALA C C 5 177.906 177.381 0.525 1
1 38 . 14 1 1 A 5 5 ALA CA C 5 53.048 51.819 1.229 1
1 39 . 14 1 1 A 5 5 ALA CB C 5 19.508 22.057 -2.549 1
1 40 . 14 1 1 A 5 5 ALA N N 5 125.546 123.966 1.580 1
1 41 . 14 1 1 A 6 6 GLN H H 6 9.013 8.630 0.383 1
1 42 . 14 1 1 A 6 6 GLN HA H 6 4.099 4.146 -0.047 1
1 48 . 14 1 1 A 6 6 GLN C C 6 176.725 176.286 0.439 1
1 49 . 14 1 1 A 6 6 GLN CA C 6 58.528 59.062 -0.534 1
1 50 . 14 1 1 A 6 6 GLN CB C 6 28.394 28.893 -0.499 1
1 52 . 14 1 1 A 6 6 GLN N N 6 123.087 121.237 1.850 1
1 54 . 14 1 1 A 7 7 ASN H H 7 8.406 8.281 0.125 1
1 55 . 14 1 1 A 7 7 ASN HA H 7 4.883 5.051 -0.168 1
1 59 . 14 1 1 A 7 7 ASN C C 7 173.875 173.496 0.379 1
1 60 . 14 1 1 A 7 7 ASN CA C 7 51.765 52.394 -0.629 1
1 61 . 14 1 1 A 7 7 ASN CB C 7 37.899 39.637 -1.738 1
1 62 . 14 1 1 A 7 7 ASN N N 7 115.683 117.940 -2.257 1
1 64 . 14 1 1 A 8 8 CYS H H 8 7.743 8.837 -1.094 1
1 65 . 14 1 1 A 8 8 CYS HA H 8 4.975 4.783 0.192 1
1 68 . 14 1 1 A 8 8 CYS C C 8 177.334 176.299 1.035 1
1 69 . 14 1 1 A 8 8 CYS CA C 8 59.497 57.888 1.609 1
1 70 . 14 1 1 A 8 8 CYS CB C 8 29.111 29.754 -0.643 1
1 71 . 14 1 1 A 8 8 CYS N N 8 122.794 124.063 -1.269 1
1 72 . 14 1 1 A 9 9 GLN H H 9 9.862 8.729 1.133 1
1 73 . 14 1 1 A 9 9 GLN HA H 9 4.190 4.246 -0.056 1
1 80 . 14 1 1 A 9 9 GLN C C 9 175.014 174.925 0.089 1
1 81 . 14 1 1 A 9 9 GLN CA C 9 56.768 55.755 1.013 1
1 82 . 14 1 1 A 9 9 GLN CB C 9 28.755 28.857 -0.102 1
1 84 . 14 1 1 A 9 9 GLN N N 9 133.013 126.807 6.206 1
1 86 . 14 1 1 A 10 10 ARG H H 10 10.074 7.497 2.577 1
1 87 . 14 1 1 A 10 10 ARG HA H 10 4.152 3.904 0.248 1
1 93 . 14 1 1 A 10 10 ARG CA C 10 55.345 56.593 -1.248 1
1 94 . 14 1 1 A 10 10 ARG CB C 10 27.843 27.735 0.108 1
1 97 . 14 1 1 A 10 10 ARG N N 10 122.014 115.706 6.308 1
1 98 . 14 1 1 A 11 11 PRO HA H 11 4.278 4.650 -0.372 1
1 104 . 14 1 1 A 11 11 PRO C C 11 177.028 175.497 1.531 1
1 105 . 14 1 1 A 11 11 PRO CA C 11 62.703 62.510 0.193 1
1 106 . 14 1 1 A 11 11 PRO CB C 11 31.618 32.357 -0.739 1
1 109 . 14 1 1 A 12 12 CYS H H 12 8.488 8.615 -0.127 1
1 110 . 14 1 1 A 12 12 CYS HA H 12 4.519 5.137 -0.618 1
1 113 . 14 1 1 A 12 12 CYS C C 12 174.690 173.243 1.447 1
1 114 . 14 1 1 A 12 12 CYS CA C 12 58.146 58.035 0.111 1
1 115 . 14 1 1 A 12 12 CYS CB C 12 28.174 30.163 -1.989 1
1 116 . 14 1 1 A 12 12 CYS N N 12 118.868 120.698 -1.830 1
1 117 . 14 1 1 A 13 13 LYS H H 13 7.827 8.681 -0.854 1
1 118 . 14 1 1 A 13 13 LYS HA H 13 4.231 4.847 -0.616 1
1 124 . 14 1 1 A 13 13 LYS C C 13 175.756 176.504 -0.748 1
1 125 . 14 1 1 A 13 13 LYS CA C 13 56.836 54.640 2.196 1
1 126 . 14 1 1 A 13 13 LYS CB C 13 33.502 36.118 -2.616 1
1 130 . 14 1 1 A 13 13 LYS N N 13 122.032 126.706 -4.674 1
1 131 . 14 1 1 A 14 14 ASP H H 14 8.348 8.664 -0.316 1
1 132 . 14 1 1 A 14 14 ASP HA H 14 4.429 4.532 -0.103 1
1 135 . 14 1 1 A 14 14 ASP C C 14 176.011 176.261 -0.250 1
1 136 . 14 1 1 A 14 14 ASP CA C 14 55.877 56.031 -0.154 1
1 137 . 14 1 1 A 14 14 ASP CB C 14 40.879 40.302 0.577 1
1 138 . 14 1 1 A 14 14 ASP N N 14 119.433 122.105 -2.672 1
1 139 . 14 1 1 A 15 15 LYS H H 15 7.898 7.731 0.167 1
1 140 . 14 1 1 A 15 15 LYS HA H 15 4.448 4.609 -0.161 1
1 146 . 14 1 1 A 15 15 LYS C C 15 175.094 175.913 -0.819 1
1 147 . 14 1 1 A 15 15 LYS CA C 15 55.647 55.433 0.214 1
1 148 . 14 1 1 A 15 15 LYS CB C 15 32.563 33.740 -1.177 1
1 151 . 14 1 1 A 15 15 LYS N N 15 119.751 116.875 2.876 1
1 152 . 14 1 1 A 16 16 VAL H H 16 7.977 7.292 0.685 1
1 153 . 14 1 1 A 16 16 VAL HA H 16 3.990 4.588 -0.598 1
1 161 . 14 1 1 A 16 16 VAL C C 16 173.871 174.530 -0.659 1
1 162 . 14 1 1 A 16 16 VAL CA C 16 61.261 61.005 0.256 1
1 163 . 14 1 1 A 16 16 VAL CB C 16 33.377 33.817 -0.440 1
1 166 . 14 1 1 A 16 16 VAL N N 16 122.186 120.890 1.296 1
1 167 . 14 1 1 A 17 17 ASP H H 17 7.749 9.056 -1.307 1
1 168 . 14 1 1 A 17 17 ASP HA H 17 5.082 5.028 0.054 1
1 171 . 14 1 1 A 17 17 ASP C C 17 176.746 175.708 1.038 1
1 172 . 14 1 1 A 17 17 ASP CA C 17 54.120 54.435 -0.315 1
1 173 . 14 1 1 A 17 17 ASP CB C 17 42.721 42.169 0.552 1
1 174 . 14 1 1 A 17 17 ASP N N 17 122.699 130.496 -7.797 1
1 175 . 14 1 1 A 18 18 TRP H H 18 9.513 9.295 0.218 1
1 176 . 14 1 1 A 18 18 TRP HA H 18 5.604 5.468 0.136 1
1 185 . 14 1 1 A 18 18 TRP C C 18 176.365 175.036 1.329 1
1 186 . 14 1 1 A 18 18 TRP CA C 18 57.700 56.005 1.695 1
1 187 . 14 1 1 A 18 18 TRP CB C 18 34.107 32.528 1.579 1
1 193 . 14 1 1 A 18 18 TRP N N 18 123.857 125.102 -1.245 1
1 195 . 14 1 1 A 19 19 VAL H H 19 10.238 9.206 1.032 1
1 196 . 14 1 1 A 19 19 VAL HA H 19 4.670 4.877 -0.207 1
1 204 . 14 1 1 A 19 19 VAL CA C 19 61.089 59.711 1.378 1
1 205 . 14 1 1 A 19 19 VAL CB C 19 35.518 34.554 0.964 1
1 208 . 14 1 1 A 19 19 VAL N N 19 121.049 116.388 4.661 1
1 209 . 14 1 1 A 20 20 GLN H H 20 8.584 8.840 -0.256 1
1 210 . 14 1 1 A 20 20 GLN HA H 20 4.635 5.162 -0.527 1
1 217 . 14 1 1 A 20 20 GLN C C 20 175.662 175.265 0.397 1
1 218 . 14 1 1 A 20 20 GLN CA C 20 53.063 53.833 -0.770 1
1 219 . 14 1 1 A 20 20 GLN CB C 20 29.098 30.384 -1.286 1
1 221 . 14 1 1 A 20 20 GLN N N 20 130.340 123.913 6.427 1
1 223 . 14 1 1 A 21 21 CYS H H 21 8.740 8.946 -0.206 1
1 224 . 14 1 1 A 21 21 CYS HA H 21 4.588 5.326 -0.738 1
1 227 . 14 1 1 A 21 21 CYS CA C 21 60.617 58.413 2.204 1
1 228 . 14 1 1 A 21 21 CYS CB C 21 31.913 28.642 3.271 1
1 229 . 14 1 1 A 21 21 CYS N N 21 126.319 123.957 2.362 1
1 230 . 14 1 1 A 22 22 ASP H H 22 9.742 8.227 1.515 1
1 231 . 14 1 1 A 22 22 ASP HA H 22 5.079 4.767 0.312 1
1 234 . 14 1 1 A 22 22 ASP C C 22 178.015 176.927 1.088 1
1 235 . 14 1 1 A 22 22 ASP CA C 22 55.185 54.338 0.847 1
1 236 . 14 1 1 A 22 22 ASP CB C 22 42.664 41.171 1.493 1
1 237 . 14 1 1 A 22 22 ASP N N 22 130.603 125.875 4.728 1
1 238 . 14 1 1 A 23 23 GLY H H 23 10.762 8.052 2.710 1
1 239 . 14 1 1 A 23 23 GLY HA2 H 23 4.156 3.865 0.291 1
1 240 . 14 1 1 A 23 23 GLY HA3 H 23 3.536 3.884 -0.348 1
1 241 . 14 1 1 A 23 23 GLY C C 23 173.898 174.399 -0.501 1
1 242 . 14 1 1 A 23 23 GLY CA C 23 45.351 45.437 -0.086 1
1 243 . 14 1 1 A 23 23 GLY N N 23 116.158 108.144 8.014 1
1 244 . 14 1 1 A 24 24 GLY H H 24 8.904 7.358 1.546 1
1 245 . 14 1 1 A 24 24 GLY HA2 H 24 3.499 4.021 -0.522 1
1 246 . 14 1 1 A 24 24 GLY HA3 H 24 4.740 4.021 0.719 1
1 247 . 14 1 1 A 24 24 GLY C C 24 175.291 175.796 -0.505 1
1 248 . 14 1 1 A 24 24 GLY CA C 24 45.209 45.364 -0.155 1
1 249 . 14 1 1 A 24 24 GLY N N 24 109.769 106.879 2.890 1
1 250 . 14 1 1 A 25 25 CYS H H 25 7.639 8.165 -0.526 1
1 251 . 14 1 1 A 25 25 CYS HA H 25 4.465 4.507 -0.042 1
1 254 . 14 1 1 A 25 25 CYS C C 25 175.738 174.352 1.386 1
1 255 . 14 1 1 A 25 25 CYS CA C 25 60.097 60.227 -0.130 1
1 256 . 14 1 1 A 25 25 CYS CB C 25 30.248 28.775 1.473 1
1 257 . 14 1 1 A 25 25 CYS N N 25 119.776 119.809 -0.033 1
1 258 . 14 1 1 A 26 26 ASP H H 26 8.209 7.669 0.540 1
1 259 . 14 1 1 A 26 26 ASP HA H 26 4.283 4.223 0.060 1
1 261 . 14 1 1 A 26 26 ASP C C 26 175.280 174.896 0.384 1
1 262 . 14 1 1 A 26 26 ASP CA C 26 56.107 55.608 0.499 1
1 263 . 14 1 1 A 26 26 ASP CB C 26 39.958 39.636 0.322 1
1 264 . 14 1 1 A 26 26 ASP N N 26 117.501 117.749 -0.248 1
1 265 . 14 1 1 A 27 27 GLU H H 27 9.023 8.092 0.931 1
1 266 . 14 1 1 A 27 27 GLU HA H 27 4.372 4.692 -0.320 1
1 271 . 14 1 1 A 27 27 GLU C C 27 174.686 175.775 -1.089 1
1 272 . 14 1 1 A 27 27 GLU CA C 27 58.185 55.481 2.704 1
1 273 . 14 1 1 A 27 27 GLU CB C 27 30.552 30.883 -0.331 1
1 275 . 14 1 1 A 27 27 GLU N N 27 123.133 117.730 5.403 1
1 276 . 14 1 1 A 28 28 TRP H H 28 8.452 8.946 -0.494 1
1 277 . 14 1 1 A 28 28 TRP HA H 28 4.967 5.742 -0.775 1
1 286 . 14 1 1 A 28 28 TRP C C 28 175.501 175.683 -0.182 1
1 287 . 14 1 1 A 28 28 TRP CA C 28 57.211 55.422 1.789 1
1 288 . 14 1 1 A 28 28 TRP CB C 28 31.524 31.580 -0.056 1
1 294 . 14 1 1 A 28 28 TRP N N 28 118.126 120.711 -2.585 1
1 296 . 14 1 1 A 29 29 PHE H H 29 9.699 9.938 -0.239 1
1 297 . 14 1 1 A 29 29 PHE HA H 29 4.994 5.173 -0.179 1
1 303 . 14 1 1 A 29 29 PHE C C 29 176.176 175.205 0.971 1
1 304 . 14 1 1 A 29 29 PHE CA C 29 56.712 56.245 0.467 1
1 305 . 14 1 1 A 29 29 PHE CB C 29 43.056 42.786 0.270 1
1 309 . 14 1 1 A 29 29 PHE N N 29 119.283 121.852 -2.569 1
1 310 . 14 1 1 A 30 30 HIS H H 30 9.676 8.334 1.342 1
1 311 . 14 1 1 A 30 30 HIS HA H 30 4.400 4.485 -0.085 1
1 316 . 14 1 1 A 30 30 HIS C C 30 177.509 176.275 1.234 1
1 317 . 14 1 1 A 30 30 HIS CA C 30 56.723 55.493 1.230 1
1 318 . 14 1 1 A 30 30 HIS CB C 30 29.686 30.656 -0.970 1
1 320 . 14 1 1 A 30 30 HIS N N 30 124.436 119.457 4.979 1
1 321 . 14 1 1 A 31 31 GLN H H 31 8.537 8.923 -0.386 1
1 322 . 14 1 1 A 31 31 GLN HA H 31 3.486 3.746 -0.260 1
1 329 . 14 1 1 A 31 31 GLN C C 31 179.005 178.345 0.660 1
1 330 . 14 1 1 A 31 31 GLN CA C 31 60.606 59.369 1.237 1
1 331 . 14 1 1 A 31 31 GLN CB C 31 26.624 28.288 -1.664 1
1 333 . 14 1 1 A 31 31 GLN N N 31 124.297 122.793 1.504 1
1 335 . 14 1 1 A 32 32 VAL H H 32 8.688 8.063 0.625 1
1 336 . 14 1 1 A 32 32 VAL HA H 32 4.060 3.753 0.307 1
1 344 . 14 1 1 A 32 32 VAL C C 32 178.001 177.596 0.405 1
1 345 . 14 1 1 A 32 32 VAL CA C 32 64.333 64.597 -0.264 1
1 346 . 14 1 1 A 32 32 VAL CB C 32 31.703 31.207 0.496 1
1 349 . 14 1 1 A 32 32 VAL N N 32 113.575 119.411 -5.836 1
1 350 . 14 1 1 A 33 33 CYS H H 33 6.893 8.152 -1.259 1
1 351 . 14 1 1 A 33 33 CYS HA H 33 4.151 4.166 -0.015 1
1 354 . 14 1 1 A 33 33 CYS C C 33 177.137 175.525 1.612 1
1 355 . 14 1 1 A 33 33 CYS CA C 33 62.650 61.174 1.476 1
1 356 . 14 1 1 A 33 33 CYS CB C 33 29.399 27.205 2.194 1
1 357 . 14 1 1 A 33 33 CYS N N 33 120.368 119.193 1.175 1
1 358 . 14 1 1 A 34 34 VAL H H 34 7.137 7.759 -0.622 1
1 359 . 14 1 1 A 34 34 VAL HA H 34 4.564 4.337 0.227 1
1 367 . 14 1 1 A 34 34 VAL C C 34 175.969 176.074 -0.105 1
1 368 . 14 1 1 A 34 34 VAL CA C 34 60.138 62.283 -2.145 1
1 369 . 14 1 1 A 34 34 VAL CB C 34 31.887 31.897 -0.010 1
1 372 . 14 1 1 A 34 34 VAL N N 34 106.615 118.970 -12.355 1
1 373 . 14 1 1 A 35 35 GLY H H 35 7.506 7.649 -0.143 1
1 374 . 14 1 1 A 35 35 GLY HA2 H 35 3.864 3.947 -0.083 1
1 375 . 14 1 1 A 35 35 GLY HA3 H 35 3.940 3.960 -0.020 1
1 376 . 14 1 1 A 35 35 GLY C C 35 174.670 174.821 -0.151 1
1 377 . 14 1 1 A 35 35 GLY CA C 35 47.029 46.744 0.285 1
1 378 . 14 1 1 A 35 35 GLY N N 35 110.034 111.081 -1.047 1
1 379 . 14 1 1 A 36 36 VAL H H 36 7.621 8.735 -1.114 1
1 380 . 14 1 1 A 36 36 VAL HA H 36 4.300 4.275 0.025 1
1 388 . 14 1 1 A 36 36 VAL C C 36 174.260 176.093 -1.833 1
1 389 . 14 1 1 A 36 36 VAL CA C 36 61.084 61.844 -0.760 1
1 390 . 14 1 1 A 36 36 VAL CB C 36 34.059 32.815 1.244 1
1 393 . 14 1 1 A 36 36 VAL N N 36 119.403 120.272 -0.869 1
1 394 . 14 1 1 A 37 37 SER H H 37 8.007 8.920 -0.913 1
1 395 . 14 1 1 A 37 37 SER HA H 37 4.861 5.022 -0.161 1
1 398 . 14 1 1 A 37 37 SER CA C 37 55.564 55.867 -0.303 1
1 399 . 14 1 1 A 37 37 SER CB C 37 63.789 64.037 -0.248 1
1 400 . 14 1 1 A 37 37 SER N N 37 122.814 120.076 2.738 1
1 401 . 14 1 1 A 38 38 PRO HA H 38 4.337 4.748 -0.411 1
1 407 . 14 1 1 A 38 38 PRO C C 38 179.162 178.550 0.612 1
1 408 . 14 1 1 A 38 38 PRO CA C 38 65.551 65.497 0.054 1
1 409 . 14 1 1 A 38 38 PRO CB C 38 31.882 31.887 -0.005 1
1 412 . 14 1 1 A 39 39 GLU H H 39 8.520 8.509 0.011 1
1 413 . 14 1 1 A 39 39 GLU HA H 39 4.126 4.107 0.019 1
1 418 . 14 1 1 A 39 39 GLU C C 39 178.588 179.020 -0.432 1
1 419 . 14 1 1 A 39 39 GLU CA C 39 59.321 59.170 0.151 1
1 420 . 14 1 1 A 39 39 GLU CB C 39 29.016 28.995 0.021 1
1 422 . 14 1 1 A 39 39 GLU N N 39 116.621 117.330 -0.709 1
1 423 . 14 1 1 A 40 40 MET H H 40 7.707 7.889 -0.182 1
1 424 . 14 1 1 A 40 40 MET HA H 40 4.169 4.391 -0.222 1
1 431 . 14 1 1 A 40 40 MET C C 40 177.937 177.927 0.010 1
1 432 . 14 1 1 A 40 40 MET CA C 40 58.076 57.551 0.525 1
1 433 . 14 1 1 A 40 40 MET CB C 40 33.752 32.259 1.493 1
1 436 . 14 1 1 A 40 40 MET N N 40 120.129 120.114 0.015 1
1 437 . 14 1 1 A 41 41 ALA H H 41 8.214 7.872 0.342 1
1 438 . 14 1 1 A 41 41 ALA HA H 41 4.148 3.986 0.162 1
1 442 . 14 1 1 A 41 41 ALA C C 41 179.237 179.152 0.085 1
1 443 . 14 1 1 A 41 41 ALA CA C 41 54.188 55.539 -1.351 1
1 444 . 14 1 1 A 41 41 ALA CB C 41 18.596 18.780 -0.184 1
1 445 . 14 1 1 A 41 41 ALA N N 41 121.551 121.617 -0.066 1
1 446 . 14 1 1 A 42 42 GLU H H 42 7.823 8.228 -0.405 1
1 447 . 14 1 1 A 42 42 GLU HA H 42 4.377 4.213 0.164 1
1 450 . 14 1 1 A 42 42 GLU C C 42 177.669 177.404 0.265 1
1 451 . 14 1 1 A 42 42 GLU CA C 42 57.775 57.546 0.229 1
1 452 . 14 1 1 A 42 42 GLU CB C 42 30.495 30.004 0.491 1
1 454 . 14 1 1 A 42 42 GLU N N 42 115.185 116.524 -1.339 1
1 455 . 14 1 1 A 43 43 ASN H H 43 7.817 7.842 -0.025 1
1 456 . 14 1 1 A 43 43 ASN HA H 43 4.845 4.864 -0.019 1
1 461 . 14 1 1 A 43 43 ASN C C 43 174.634 175.108 -0.474 1
1 462 . 14 1 1 A 43 43 ASN CA C 43 54.343 54.055 0.288 1
1 463 . 14 1 1 A 43 43 ASN CB C 43 40.910 41.138 -0.228 1
1 464 . 14 1 1 A 43 43 ASN N N 43 115.082 115.855 -0.773 1
1 466 . 14 1 1 A 44 44 GLU H H 44 8.140 8.032 0.108 1
1 467 . 14 1 1 A 44 44 GLU HA H 44 4.572 4.802 -0.230 1
1 471 . 14 1 1 A 44 44 GLU C C 44 172.191 175.443 -3.252 1
1 472 . 14 1 1 A 44 44 GLU CA C 44 55.221 54.621 0.600 1
1 473 . 14 1 1 A 44 44 GLU CB C 44 32.235 34.186 -1.951 1
1 475 . 14 1 1 A 44 44 GLU N N 44 119.186 116.953 2.233 1
1 476 . 14 1 1 A 45 45 ASP H H 45 8.392 8.714 -0.322 1
1 477 . 14 1 1 A 45 45 ASP HA H 45 5.044 4.916 0.128 1
1 480 . 14 1 1 A 45 45 ASP CA C 45 53.829 54.380 -0.551 1
1 481 . 14 1 1 A 45 45 ASP CB C 45 41.271 41.220 0.051 1
1 482 . 14 1 1 A 45 45 ASP N N 45 121.008 122.393 -1.385 1
1 483 . 14 1 1 A 46 46 TYR H H 46 9.307 8.932 0.375 1
1 484 . 14 1 1 A 46 46 TYR HA H 46 4.508 4.627 -0.119 1
1 489 . 14 1 1 A 46 46 TYR C C 46 172.490 174.396 -1.906 1
1 490 . 14 1 1 A 46 46 TYR CA C 46 58.416 58.369 0.047 1
1 491 . 14 1 1 A 46 46 TYR CB C 46 39.842 38.404 1.438 1
1 494 . 14 1 1 A 46 46 TYR N N 46 124.739 126.214 -1.475 1
1 495 . 14 1 1 A 47 47 ILE H H 47 7.204 8.825 -1.621 1
1 496 . 14 1 1 A 47 47 ILE HA H 47 4.464 4.457 0.007 1
1 506 . 14 1 1 A 47 47 ILE C C 47 174.754 174.932 -0.178 1
1 507 . 14 1 1 A 47 47 ILE CA C 47 58.308 59.509 -1.201 1
1 508 . 14 1 1 A 47 47 ILE CB C 47 37.997 40.060 -2.063 1
1 512 . 14 1 1 A 47 47 ILE N N 47 128.235 127.544 0.691 1
1 513 . 14 1 1 A 48 48 CYS H H 48 9.441 8.082 1.359 1
1 514 . 14 1 1 A 48 48 CYS HA H 48 4.132 4.392 -0.260 1
1 517 . 14 1 1 A 48 48 CYS C C 48 175.259 175.383 -0.124 1
1 518 . 14 1 1 A 48 48 CYS CA C 48 58.247 55.911 2.336 1
1 519 . 14 1 1 A 48 48 CYS CB C 48 32.230 29.319 2.911 1
1 520 . 14 1 1 A 48 48 CYS N N 48 131.299 123.286 8.013 1
1 521 . 14 1 1 A 49 49 ILE H H 49 7.753 8.630 -0.877 1
1 522 . 14 1 1 A 49 49 ILE HA H 49 3.968 3.834 0.134 1
1 532 . 14 1 1 A 49 49 ILE C C 49 177.248 177.569 -0.321 1
1 533 . 14 1 1 A 49 49 ILE CA C 49 63.078 64.322 -1.244 1
1 534 . 14 1 1 A 49 49 ILE CB C 49 38.535 37.657 0.878 1
1 538 . 14 1 1 A 49 49 ILE N N 49 113.316 121.261 -7.945 1
1 539 . 14 1 1 A 50 50 ASN H H 50 8.884 7.859 1.025 1
1 540 . 14 1 1 A 50 50 ASN HA H 50 4.729 4.583 0.146 1
1 545 . 14 1 1 A 50 50 ASN C C 50 176.793 177.639 -0.846 1
1 546 . 14 1 1 A 50 50 ASN CA C 50 55.405 55.821 -0.416 1
1 547 . 14 1 1 A 50 50 ASN CB C 50 39.719 38.121 1.598 1
1 548 . 14 1 1 A 50 50 ASN N N 50 121.756 119.667 2.089 1
1 550 . 14 1 1 A 51 51 CYS H H 51 8.179 7.796 0.383 1
1 551 . 14 1 1 A 51 51 CYS HA H 51 4.121 4.363 -0.242 1
1 554 . 14 1 1 A 51 51 CYS C C 51 174.880 175.917 -1.037 1
1 555 . 14 1 1 A 51 51 CYS CA C 51 61.889 62.748 -0.859 1
1 556 . 14 1 1 A 51 51 CYS CB C 51 31.444 27.299 4.145 1
1 557 . 14 1 1 A 51 51 CYS N N 51 123.907 118.653 5.254 1
1 1 . 15 1 1 A 2 2 VAL H H 2 8.398 7.754 0.644 1
1 2 . 15 1 1 A 2 2 VAL HA H 2 5.045 4.806 0.239 1
1 10 . 15 1 1 A 2 2 VAL C C 2 175.547 175.528 0.019 1
1 11 . 15 1 1 A 2 2 VAL CA C 2 60.781 60.299 0.482 1
1 12 . 15 1 1 A 2 2 VAL CB C 2 34.251 35.601 -1.350 1
1 15 . 15 1 1 A 3 3 CYS H H 3 9.217 8.689 0.528 1
1 16 . 15 1 1 A 3 3 CYS HA H 3 5.017 5.067 -0.050 1
1 19 . 15 1 1 A 3 3 CYS C C 3 174.515 174.547 -0.032 1
1 20 . 15 1 1 A 3 3 CYS CA C 3 57.354 57.103 0.251 1
1 21 . 15 1 1 A 3 3 CYS CB C 3 31.812 29.380 2.432 1
1 22 . 15 1 1 A 3 3 CYS N N 3 128.514 125.292 3.222 1
1 23 . 15 1 1 A 4 4 ALA H H 4 7.577 8.144 -0.567 1
1 24 . 15 1 1 A 4 4 ALA HA H 4 4.294 4.755 -0.461 1
1 28 . 15 1 1 A 4 4 ALA C C 4 177.618 176.430 1.188 1
1 29 . 15 1 1 A 4 4 ALA CA C 4 52.672 50.726 1.946 1
1 30 . 15 1 1 A 4 4 ALA CB C 4 18.970 19.944 -0.974 1
1 31 . 15 1 1 A 4 4 ALA N N 4 121.274 123.232 -1.958 1
1 32 . 15 1 1 A 5 5 ALA H H 5 9.064 8.338 0.726 1
1 33 . 15 1 1 A 5 5 ALA HA H 5 4.553 4.936 -0.383 1
1 37 . 15 1 1 A 5 5 ALA C C 5 177.906 177.371 0.535 1
1 38 . 15 1 1 A 5 5 ALA CA C 5 53.048 51.570 1.478 1
1 39 . 15 1 1 A 5 5 ALA CB C 5 19.508 22.258 -2.750 1
1 40 . 15 1 1 A 5 5 ALA N N 5 125.546 124.563 0.983 1
1 41 . 15 1 1 A 6 6 GLN H H 6 9.013 8.975 0.038 1
1 42 . 15 1 1 A 6 6 GLN HA H 6 4.099 4.057 0.042 1
1 48 . 15 1 1 A 6 6 GLN C C 6 176.725 175.604 1.121 1
1 49 . 15 1 1 A 6 6 GLN CA C 6 58.528 58.868 -0.340 1
1 50 . 15 1 1 A 6 6 GLN CB C 6 28.394 28.683 -0.289 1
1 52 . 15 1 1 A 6 6 GLN N N 6 123.087 120.464 2.623 1
1 54 . 15 1 1 A 7 7 ASN H H 7 8.406 7.961 0.445 1
1 55 . 15 1 1 A 7 7 ASN HA H 7 4.883 5.118 -0.235 1
1 59 . 15 1 1 A 7 7 ASN C C 7 173.875 173.497 0.378 1
1 60 . 15 1 1 A 7 7 ASN CA C 7 51.765 51.972 -0.207 1
1 61 . 15 1 1 A 7 7 ASN CB C 7 37.899 39.900 -2.001 1
1 62 . 15 1 1 A 7 7 ASN N N 7 115.683 116.379 -0.696 1
1 64 . 15 1 1 A 8 8 CYS H H 8 7.743 9.139 -1.396 1
1 65 . 15 1 1 A 8 8 CYS HA H 8 4.975 5.056 -0.081 1
1 68 . 15 1 1 A 8 8 CYS C C 8 177.334 174.269 3.065 1
1 69 . 15 1 1 A 8 8 CYS CA C 8 59.497 57.928 1.569 1
1 70 . 15 1 1 A 8 8 CYS CB C 8 29.111 29.448 -0.337 1
1 71 . 15 1 1 A 8 8 CYS N N 8 122.794 126.765 -3.971 1
1 72 . 15 1 1 A 9 9 GLN H H 9 9.862 8.466 1.396 1
1 73 . 15 1 1 A 9 9 GLN HA H 9 4.190 4.883 -0.693 1
1 80 . 15 1 1 A 9 9 GLN C C 9 175.014 174.575 0.439 1
1 81 . 15 1 1 A 9 9 GLN CA C 9 56.768 54.260 2.508 1
1 82 . 15 1 1 A 9 9 GLN CB C 9 28.755 32.040 -3.285 1
1 84 . 15 1 1 A 9 9 GLN N N 9 133.013 123.290 9.723 1
1 86 . 15 1 1 A 10 10 ARG H H 10 10.074 8.558 1.516 1
1 87 . 15 1 1 A 10 10 ARG HA H 10 4.152 5.029 -0.877 1
1 93 . 15 1 1 A 10 10 ARG CA C 10 55.345 53.650 1.695 1
1 94 . 15 1 1 A 10 10 ARG CB C 10 27.843 31.125 -3.282 1
1 97 . 15 1 1 A 10 10 ARG N N 10 122.014 120.335 1.679 1
1 98 . 15 1 1 A 11 11 PRO HA H 11 4.278 4.797 -0.519 1
1 104 . 15 1 1 A 11 11 PRO C C 11 177.028 175.428 1.600 1
1 105 . 15 1 1 A 11 11 PRO CA C 11 62.703 62.184 0.519 1
1 106 . 15 1 1 A 11 11 PRO CB C 11 31.618 32.379 -0.761 1
1 109 . 15 1 1 A 12 12 CYS H H 12 8.488 8.647 -0.159 1
1 110 . 15 1 1 A 12 12 CYS HA H 12 4.519 5.086 -0.567 1
1 113 . 15 1 1 A 12 12 CYS C C 12 174.690 173.659 1.031 1
1 114 . 15 1 1 A 12 12 CYS CA C 12 58.146 57.898 0.248 1
1 115 . 15 1 1 A 12 12 CYS CB C 12 28.174 29.671 -1.497 1
1 116 . 15 1 1 A 12 12 CYS N N 12 118.868 120.714 -1.846 1
1 117 . 15 1 1 A 13 13 LYS H H 13 7.827 8.499 -0.672 1
1 118 . 15 1 1 A 13 13 LYS HA H 13 4.231 4.866 -0.635 1
1 124 . 15 1 1 A 13 13 LYS C C 13 175.756 176.095 -0.339 1
1 125 . 15 1 1 A 13 13 LYS CA C 13 56.836 55.098 1.738 1
1 126 . 15 1 1 A 13 13 LYS CB C 13 33.502 36.400 -2.898 1
1 130 . 15 1 1 A 13 13 LYS N N 13 122.032 126.406 -4.374 1
1 131 . 15 1 1 A 14 14 ASP H H 14 8.348 8.677 -0.329 1
1 132 . 15 1 1 A 14 14 ASP HA H 14 4.429 4.725 -0.296 1
1 135 . 15 1 1 A 14 14 ASP C C 14 176.011 176.999 -0.988 1
1 136 . 15 1 1 A 14 14 ASP CA C 14 55.877 56.032 -0.155 1
1 137 . 15 1 1 A 14 14 ASP CB C 14 40.879 42.152 -1.273 1
1 138 . 15 1 1 A 14 14 ASP N N 14 119.433 121.499 -2.066 1
1 139 . 15 1 1 A 15 15 LYS H H 15 7.898 7.795 0.103 1
1 140 . 15 1 1 A 15 15 LYS HA H 15 4.448 4.457 -0.009 1
1 146 . 15 1 1 A 15 15 LYS C C 15 175.094 175.831 -0.737 1
1 147 . 15 1 1 A 15 15 LYS CA C 15 55.647 55.908 -0.261 1
1 148 . 15 1 1 A 15 15 LYS CB C 15 32.563 30.610 1.953 1
1 151 . 15 1 1 A 15 15 LYS N N 15 119.751 117.074 2.677 1
1 152 . 15 1 1 A 16 16 VAL H H 16 7.977 8.034 -0.057 1
1 153 . 15 1 1 A 16 16 VAL HA H 16 3.990 4.507 -0.517 1
1 161 . 15 1 1 A 16 16 VAL C C 16 173.871 174.242 -0.371 1
1 162 . 15 1 1 A 16 16 VAL CA C 16 61.261 60.676 0.585 1
1 163 . 15 1 1 A 16 16 VAL CB C 16 33.377 33.550 -0.173 1
1 166 . 15 1 1 A 16 16 VAL N N 16 122.186 123.456 -1.270 1
1 167 . 15 1 1 A 17 17 ASP H H 17 7.749 8.957 -1.208 1
1 168 . 15 1 1 A 17 17 ASP HA H 17 5.082 4.901 0.181 1
1 171 . 15 1 1 A 17 17 ASP C C 17 176.746 176.495 0.251 1
1 172 . 15 1 1 A 17 17 ASP CA C 17 54.120 54.773 -0.653 1
1 173 . 15 1 1 A 17 17 ASP CB C 17 42.721 41.096 1.625 1
1 174 . 15 1 1 A 17 17 ASP N N 17 122.699 128.743 -6.044 1
1 175 . 15 1 1 A 18 18 TRP H H 18 9.513 9.289 0.224 1
1 176 . 15 1 1 A 18 18 TRP HA H 18 5.604 5.448 0.156 1
1 185 . 15 1 1 A 18 18 TRP C C 18 176.365 175.235 1.130 1
1 186 . 15 1 1 A 18 18 TRP CA C 18 57.700 56.120 1.580 1
1 187 . 15 1 1 A 18 18 TRP CB C 18 34.107 32.293 1.814 1
1 193 . 15 1 1 A 18 18 TRP N N 18 123.857 122.900 0.957 1
1 195 . 15 1 1 A 19 19 VAL H H 19 10.238 8.987 1.251 1
1 196 . 15 1 1 A 19 19 VAL HA H 19 4.670 4.871 -0.201 1
1 204 . 15 1 1 A 19 19 VAL CA C 19 61.089 59.676 1.413 1
1 205 . 15 1 1 A 19 19 VAL CB C 19 35.518 34.582 0.936 1
1 208 . 15 1 1 A 19 19 VAL N N 19 121.049 116.308 4.741 1
1 209 . 15 1 1 A 20 20 GLN H H 20 8.584 8.786 -0.202 1
1 210 . 15 1 1 A 20 20 GLN HA H 20 4.635 5.086 -0.451 1
1 217 . 15 1 1 A 20 20 GLN C C 20 175.662 175.219 0.443 1
1 218 . 15 1 1 A 20 20 GLN CA C 20 53.063 53.948 -0.885 1
1 219 . 15 1 1 A 20 20 GLN CB C 20 29.098 30.215 -1.117 1
1 221 . 15 1 1 A 20 20 GLN N N 20 130.340 123.834 6.506 1
1 223 . 15 1 1 A 21 21 CYS H H 21 8.740 8.938 -0.198 1
1 224 . 15 1 1 A 21 21 CYS HA H 21 4.588 5.302 -0.714 1
1 227 . 15 1 1 A 21 21 CYS CA C 21 60.617 58.556 2.061 1
1 228 . 15 1 1 A 21 21 CYS CB C 21 31.913 27.935 3.978 1
1 229 . 15 1 1 A 21 21 CYS N N 21 126.319 124.011 2.308 1
1 230 . 15 1 1 A 22 22 ASP H H 22 9.742 8.275 1.467 1
1 231 . 15 1 1 A 22 22 ASP HA H 22 5.079 4.735 0.344 1
1 234 . 15 1 1 A 22 22 ASP C C 22 178.015 176.772 1.243 1
1 235 . 15 1 1 A 22 22 ASP CA C 22 55.185 54.409 0.776 1
1 236 . 15 1 1 A 22 22 ASP CB C 22 42.664 41.179 1.485 1
1 237 . 15 1 1 A 22 22 ASP N N 22 130.603 126.179 4.424 1
1 238 . 15 1 1 A 23 23 GLY H H 23 10.762 8.053 2.709 1
1 239 . 15 1 1 A 23 23 GLY HA2 H 23 4.156 3.872 0.284 1
1 240 . 15 1 1 A 23 23 GLY HA3 H 23 3.536 3.892 -0.356 1
1 241 . 15 1 1 A 23 23 GLY C C 23 173.898 174.463 -0.565 1
1 242 . 15 1 1 A 23 23 GLY CA C 23 45.351 45.499 -0.148 1
1 243 . 15 1 1 A 23 23 GLY N N 23 116.158 108.126 8.032 1
1 244 . 15 1 1 A 24 24 GLY H H 24 8.904 7.419 1.485 1
1 245 . 15 1 1 A 24 24 GLY HA2 H 24 3.499 4.017 -0.518 1
1 246 . 15 1 1 A 24 24 GLY HA3 H 24 4.740 4.018 0.722 1
1 247 . 15 1 1 A 24 24 GLY C C 24 175.291 175.814 -0.523 1
1 248 . 15 1 1 A 24 24 GLY CA C 24 45.209 45.370 -0.161 1
1 249 . 15 1 1 A 24 24 GLY N N 24 109.769 106.617 3.152 1
1 250 . 15 1 1 A 25 25 CYS H H 25 7.639 8.193 -0.554 1
1 251 . 15 1 1 A 25 25 CYS HA H 25 4.465 4.514 -0.049 1
1 254 . 15 1 1 A 25 25 CYS C C 25 175.738 174.339 1.399 1
1 255 . 15 1 1 A 25 25 CYS CA C 25 60.097 60.107 -0.010 1
1 256 . 15 1 1 A 25 25 CYS CB C 25 30.248 28.508 1.740 1
1 257 . 15 1 1 A 25 25 CYS N N 25 119.776 119.815 -0.039 1
1 258 . 15 1 1 A 26 26 ASP H H 26 8.209 7.591 0.618 1
1 259 . 15 1 1 A 26 26 ASP HA H 26 4.283 4.220 0.063 1
1 261 . 15 1 1 A 26 26 ASP C C 26 175.280 174.886 0.394 1
1 262 . 15 1 1 A 26 26 ASP CA C 26 56.107 55.486 0.621 1
1 263 . 15 1 1 A 26 26 ASP CB C 26 39.958 39.660 0.298 1
1 264 . 15 1 1 A 26 26 ASP N N 26 117.501 117.806 -0.305 1
1 265 . 15 1 1 A 27 27 GLU H H 27 9.023 8.024 0.999 1
1 266 . 15 1 1 A 27 27 GLU HA H 27 4.372 4.750 -0.378 1
1 271 . 15 1 1 A 27 27 GLU C C 27 174.686 175.890 -1.204 1
1 272 . 15 1 1 A 27 27 GLU CA C 27 58.185 55.371 2.814 1
1 273 . 15 1 1 A 27 27 GLU CB C 27 30.552 30.656 -0.104 1
1 275 . 15 1 1 A 27 27 GLU N N 27 123.133 117.650 5.483 1
1 276 . 15 1 1 A 28 28 TRP H H 28 8.452 8.937 -0.485 1
1 277 . 15 1 1 A 28 28 TRP HA H 28 4.967 5.874 -0.907 1
1 286 . 15 1 1 A 28 28 TRP C C 28 175.501 175.813 -0.312 1
1 287 . 15 1 1 A 28 28 TRP CA C 28 57.211 55.115 2.096 1
1 288 . 15 1 1 A 28 28 TRP CB C 28 31.524 31.627 -0.103 1
1 294 . 15 1 1 A 28 28 TRP N N 28 118.126 121.111 -2.985 1
1 296 . 15 1 1 A 29 29 PHE H H 29 9.699 10.020 -0.321 1
1 297 . 15 1 1 A 29 29 PHE HA H 29 4.994 5.370 -0.376 1
1 303 . 15 1 1 A 29 29 PHE C C 29 176.176 175.165 1.011 1
1 304 . 15 1 1 A 29 29 PHE CA C 29 56.712 56.361 0.351 1
1 305 . 15 1 1 A 29 29 PHE CB C 29 43.056 43.349 -0.293 1
1 309 . 15 1 1 A 29 29 PHE N N 29 119.283 121.616 -2.333 1
1 310 . 15 1 1 A 30 30 HIS H H 30 9.676 8.486 1.190 1
1 311 . 15 1 1 A 30 30 HIS HA H 30 4.400 4.560 -0.160 1
1 316 . 15 1 1 A 30 30 HIS C C 30 177.509 176.089 1.420 1
1 317 . 15 1 1 A 30 30 HIS CA C 30 56.723 54.840 1.883 1
1 318 . 15 1 1 A 30 30 HIS CB C 30 29.686 30.841 -1.155 1
1 320 . 15 1 1 A 30 30 HIS N N 30 124.436 119.454 4.982 1
1 321 . 15 1 1 A 31 31 GLN H H 31 8.537 8.893 -0.356 1
1 322 . 15 1 1 A 31 31 GLN HA H 31 3.486 3.824 -0.338 1
1 329 . 15 1 1 A 31 31 GLN C C 31 179.005 178.220 0.785 1
1 330 . 15 1 1 A 31 31 GLN CA C 31 60.606 59.031 1.575 1
1 331 . 15 1 1 A 31 31 GLN CB C 31 26.624 28.282 -1.658 1
1 333 . 15 1 1 A 31 31 GLN N N 31 124.297 123.219 1.078 1
1 335 . 15 1 1 A 32 32 VAL H H 32 8.688 7.918 0.770 1
1 336 . 15 1 1 A 32 32 VAL HA H 32 4.060 3.817 0.243 1
1 344 . 15 1 1 A 32 32 VAL C C 32 178.001 177.631 0.370 1
1 345 . 15 1 1 A 32 32 VAL CA C 32 64.333 64.536 -0.203 1
1 346 . 15 1 1 A 32 32 VAL CB C 32 31.703 31.699 0.004 1
1 349 . 15 1 1 A 32 32 VAL N N 32 113.575 118.980 -5.405 1
1 350 . 15 1 1 A 33 33 CYS H H 33 6.893 8.182 -1.289 1
1 351 . 15 1 1 A 33 33 CYS HA H 33 4.151 4.140 0.011 1
1 354 . 15 1 1 A 33 33 CYS C C 33 177.137 175.642 1.495 1
1 355 . 15 1 1 A 33 33 CYS CA C 33 62.650 61.424 1.226 1
1 356 . 15 1 1 A 33 33 CYS CB C 33 29.399 27.146 2.253 1
1 357 . 15 1 1 A 33 33 CYS N N 33 120.368 120.041 0.327 1
1 358 . 15 1 1 A 34 34 VAL H H 34 7.137 7.870 -0.733 1
1 359 . 15 1 1 A 34 34 VAL HA H 34 4.564 4.362 0.202 1
1 367 . 15 1 1 A 34 34 VAL C C 34 175.969 175.945 0.024 1
1 368 . 15 1 1 A 34 34 VAL CA C 34 60.138 62.495 -2.357 1
1 369 . 15 1 1 A 34 34 VAL CB C 34 31.887 32.133 -0.246 1
1 372 . 15 1 1 A 34 34 VAL N N 34 106.615 118.964 -12.349 1
1 373 . 15 1 1 A 35 35 GLY H H 35 7.506 7.891 -0.385 1
1 374 . 15 1 1 A 35 35 GLY HA2 H 35 3.864 3.927 -0.063 1
1 375 . 15 1 1 A 35 35 GLY HA3 H 35 3.940 3.940 0.000 1
1 376 . 15 1 1 A 35 35 GLY C C 35 174.670 174.488 0.182 1
1 377 . 15 1 1 A 35 35 GLY CA C 35 47.029 46.944 0.085 1
1 378 . 15 1 1 A 35 35 GLY N N 35 110.034 111.510 -1.476 1
1 379 . 15 1 1 A 36 36 VAL H H 36 7.621 8.119 -0.498 1
1 380 . 15 1 1 A 36 36 VAL HA H 36 4.300 4.649 -0.349 1
1 388 . 15 1 1 A 36 36 VAL C C 36 174.260 175.000 -0.740 1
1 389 . 15 1 1 A 36 36 VAL CA C 36 61.084 60.432 0.652 1
1 390 . 15 1 1 A 36 36 VAL CB C 36 34.059 34.612 -0.553 1
1 393 . 15 1 1 A 36 36 VAL N N 36 119.403 119.847 -0.444 1
1 394 . 15 1 1 A 37 37 SER H H 37 8.007 8.785 -0.778 1
1 395 . 15 1 1 A 37 37 SER HA H 37 4.861 5.030 -0.169 1
1 398 . 15 1 1 A 37 37 SER CA C 37 55.564 55.857 -0.293 1
1 399 . 15 1 1 A 37 37 SER CB C 37 63.789 63.941 -0.152 1
1 400 . 15 1 1 A 37 37 SER N N 37 122.814 118.651 4.163 1
1 401 . 15 1 1 A 38 38 PRO HA H 38 4.337 4.560 -0.223 1
1 407 . 15 1 1 A 38 38 PRO C C 38 179.162 178.687 0.475 1
1 408 . 15 1 1 A 38 38 PRO CA C 38 65.551 65.649 -0.098 1
1 409 . 15 1 1 A 38 38 PRO CB C 38 31.882 31.782 0.100 1
1 412 . 15 1 1 A 39 39 GLU H H 39 8.520 8.455 0.065 1
1 413 . 15 1 1 A 39 39 GLU HA H 39 4.126 4.071 0.055 1
1 418 . 15 1 1 A 39 39 GLU C C 39 178.588 178.884 -0.296 1
1 419 . 15 1 1 A 39 39 GLU CA C 39 59.321 59.648 -0.327 1
1 420 . 15 1 1 A 39 39 GLU CB C 39 29.016 29.045 -0.029 1
1 422 . 15 1 1 A 39 39 GLU N N 39 116.621 117.519 -0.898 1
1 423 . 15 1 1 A 40 40 MET H H 40 7.707 7.930 -0.223 1
1 424 . 15 1 1 A 40 40 MET HA H 40 4.169 4.316 -0.147 1
1 431 . 15 1 1 A 40 40 MET C C 40 177.937 177.893 0.044 1
1 432 . 15 1 1 A 40 40 MET CA C 40 58.076 57.507 0.569 1
1 433 . 15 1 1 A 40 40 MET CB C 40 33.752 32.552 1.200 1
1 436 . 15 1 1 A 40 40 MET N N 40 120.129 120.000 0.129 1
1 437 . 15 1 1 A 41 41 ALA H H 41 8.214 7.864 0.350 1
1 438 . 15 1 1 A 41 41 ALA HA H 41 4.148 3.967 0.181 1
1 442 . 15 1 1 A 41 41 ALA C C 41 179.237 179.807 -0.570 1
1 443 . 15 1 1 A 41 41 ALA CA C 41 54.188 55.475 -1.287 1
1 444 . 15 1 1 A 41 41 ALA CB C 41 18.596 18.367 0.229 1
1 445 . 15 1 1 A 41 41 ALA N N 41 121.551 121.397 0.154 1
1 446 . 15 1 1 A 42 42 GLU H H 42 7.823 7.833 -0.010 1
1 447 . 15 1 1 A 42 42 GLU HA H 42 4.377 4.164 0.213 1
1 450 . 15 1 1 A 42 42 GLU C C 42 177.669 177.288 0.381 1
1 451 . 15 1 1 A 42 42 GLU CA C 42 57.775 58.383 -0.608 1
1 452 . 15 1 1 A 42 42 GLU CB C 42 30.495 29.692 0.803 1
1 454 . 15 1 1 A 42 42 GLU N N 42 115.185 117.391 -2.206 1
1 455 . 15 1 1 A 43 43 ASN H H 43 7.817 7.441 0.376 1
1 456 . 15 1 1 A 43 43 ASN HA H 43 4.845 4.899 -0.054 1
1 461 . 15 1 1 A 43 43 ASN C C 43 174.634 174.984 -0.350 1
1 462 . 15 1 1 A 43 43 ASN CA C 43 54.343 54.194 0.149 1
1 463 . 15 1 1 A 43 43 ASN CB C 43 40.910 41.432 -0.522 1
1 464 . 15 1 1 A 43 43 ASN N N 43 115.082 115.677 -0.595 1
1 466 . 15 1 1 A 44 44 GLU H H 44 8.140 8.048 0.092 1
1 467 . 15 1 1 A 44 44 GLU HA H 44 4.572 4.744 -0.172 1
1 471 . 15 1 1 A 44 44 GLU C C 44 172.191 175.939 -3.748 1
1 472 . 15 1 1 A 44 44 GLU CA C 44 55.221 54.660 0.561 1
1 473 . 15 1 1 A 44 44 GLU CB C 44 32.235 33.331 -1.096 1
1 475 . 15 1 1 A 44 44 GLU N N 44 119.186 117.073 2.113 1
1 476 . 15 1 1 A 45 45 ASP H H 45 8.392 8.480 -0.088 1
1 477 . 15 1 1 A 45 45 ASP HA H 45 5.044 4.685 0.359 1
1 480 . 15 1 1 A 45 45 ASP CA C 45 53.829 54.371 -0.542 1
1 481 . 15 1 1 A 45 45 ASP CB C 45 41.271 40.832 0.439 1
1 482 . 15 1 1 A 45 45 ASP N N 45 121.008 120.802 0.206 1
1 483 . 15 1 1 A 46 46 TYR H H 46 9.307 8.917 0.390 1
1 484 . 15 1 1 A 46 46 TYR HA H 46 4.508 4.660 -0.152 1
1 489 . 15 1 1 A 46 46 TYR C C 46 172.490 174.172 -1.682 1
1 490 . 15 1 1 A 46 46 TYR CA C 46 58.416 56.733 1.683 1
1 491 . 15 1 1 A 46 46 TYR CB C 46 39.842 38.714 1.128 1
1 494 . 15 1 1 A 46 46 TYR N N 46 124.739 125.971 -1.232 1
1 495 . 15 1 1 A 47 47 ILE H H 47 7.204 8.708 -1.504 1
1 496 . 15 1 1 A 47 47 ILE HA H 47 4.464 4.505 -0.041 1
1 506 . 15 1 1 A 47 47 ILE C C 47 174.754 175.095 -0.341 1
1 507 . 15 1 1 A 47 47 ILE CA C 47 58.308 59.638 -1.330 1
1 508 . 15 1 1 A 47 47 ILE CB C 47 37.997 39.460 -1.463 1
1 512 . 15 1 1 A 47 47 ILE N N 47 128.235 128.060 0.175 1
1 513 . 15 1 1 A 48 48 CYS H H 48 9.441 8.081 1.360 1
1 514 . 15 1 1 A 48 48 CYS HA H 48 4.132 4.401 -0.269 1
1 517 . 15 1 1 A 48 48 CYS C C 48 175.259 175.389 -0.130 1
1 518 . 15 1 1 A 48 48 CYS CA C 48 58.247 55.953 2.294 1
1 519 . 15 1 1 A 48 48 CYS CB C 48 32.230 29.213 3.017 1
1 520 . 15 1 1 A 48 48 CYS N N 48 131.299 122.369 8.930 1
1 521 . 15 1 1 A 49 49 ILE H H 49 7.753 8.619 -0.866 1
1 522 . 15 1 1 A 49 49 ILE HA H 49 3.968 3.853 0.115 1
1 532 . 15 1 1 A 49 49 ILE C C 49 177.248 177.661 -0.413 1
1 533 . 15 1 1 A 49 49 ILE CA C 49 63.078 64.260 -1.182 1
1 534 . 15 1 1 A 49 49 ILE CB C 49 38.535 37.651 0.884 1
1 538 . 15 1 1 A 49 49 ILE N N 49 113.316 121.561 -8.245 1
1 539 . 15 1 1 A 50 50 ASN H H 50 8.884 7.733 1.151 1
1 540 . 15 1 1 A 50 50 ASN HA H 50 4.729 4.555 0.174 1
1 545 . 15 1 1 A 50 50 ASN C C 50 176.793 177.873 -1.080 1
1 546 . 15 1 1 A 50 50 ASN CA C 50 55.405 56.046 -0.641 1
1 547 . 15 1 1 A 50 50 ASN CB C 50 39.719 38.049 1.670 1
1 548 . 15 1 1 A 50 50 ASN N N 50 121.756 119.598 2.158 1
1 550 . 15 1 1 A 51 51 CYS H H 51 8.179 8.081 0.098 1
1 551 . 15 1 1 A 51 51 CYS HA H 51 4.121 4.119 0.002 1
1 554 . 15 1 1 A 51 51 CYS C C 51 174.880 176.435 -1.555 1
1 555 . 15 1 1 A 51 51 CYS CA C 51 61.889 63.605 -1.716 1
1 556 . 15 1 1 A 51 51 CYS CB C 51 31.444 26.899 4.545 1
1 557 . 15 1 1 A 51 51 CYS N N 51 123.907 118.274 5.633 1
1 1 . 16 1 1 A 2 2 VAL H H 2 8.398 7.864 0.534 1
1 2 . 16 1 1 A 2 2 VAL HA H 2 5.045 4.786 0.259 1
1 10 . 16 1 1 A 2 2 VAL C C 2 175.547 175.628 -0.081 1
1 11 . 16 1 1 A 2 2 VAL CA C 2 60.781 60.327 0.454 1
1 12 . 16 1 1 A 2 2 VAL CB C 2 34.251 35.798 -1.547 1
1 15 . 16 1 1 A 3 3 CYS H H 3 9.217 8.940 0.277 1
1 16 . 16 1 1 A 3 3 CYS HA H 3 5.017 4.814 0.203 1
1 19 . 16 1 1 A 3 3 CYS C C 3 174.515 174.357 0.158 1
1 20 . 16 1 1 A 3 3 CYS CA C 3 57.354 57.732 -0.378 1
1 21 . 16 1 1 A 3 3 CYS CB C 3 31.812 28.903 2.909 1
1 22 . 16 1 1 A 3 3 CYS N N 3 128.514 125.774 2.740 1
1 23 . 16 1 1 A 4 4 ALA H H 4 7.577 8.423 -0.846 1
1 24 . 16 1 1 A 4 4 ALA HA H 4 4.294 4.885 -0.591 1
1 28 . 16 1 1 A 4 4 ALA C C 4 177.618 176.272 1.346 1
1 29 . 16 1 1 A 4 4 ALA CA C 4 52.672 50.365 2.307 1
1 30 . 16 1 1 A 4 4 ALA CB C 4 18.970 20.327 -1.357 1
1 31 . 16 1 1 A 4 4 ALA N N 4 121.274 123.533 -2.259 1
1 32 . 16 1 1 A 5 5 ALA H H 5 9.064 8.219 0.845 1
1 33 . 16 1 1 A 5 5 ALA HA H 5 4.553 4.974 -0.421 1
1 37 . 16 1 1 A 5 5 ALA C C 5 177.906 177.289 0.617 1
1 38 . 16 1 1 A 5 5 ALA CA C 5 53.048 51.830 1.218 1
1 39 . 16 1 1 A 5 5 ALA CB C 5 19.508 22.165 -2.657 1
1 40 . 16 1 1 A 5 5 ALA N N 5 125.546 124.658 0.888 1
1 41 . 16 1 1 A 6 6 GLN H H 6 9.013 8.961 0.052 1
1 42 . 16 1 1 A 6 6 GLN HA H 6 4.099 4.064 0.035 1
1 48 . 16 1 1 A 6 6 GLN C C 6 176.725 175.532 1.193 1
1 49 . 16 1 1 A 6 6 GLN CA C 6 58.528 58.910 -0.382 1
1 50 . 16 1 1 A 6 6 GLN CB C 6 28.394 28.742 -0.348 1
1 52 . 16 1 1 A 6 6 GLN N N 6 123.087 120.812 2.275 1
1 54 . 16 1 1 A 7 7 ASN H H 7 8.406 8.228 0.178 1
1 55 . 16 1 1 A 7 7 ASN HA H 7 4.883 5.094 -0.211 1
1 59 . 16 1 1 A 7 7 ASN C C 7 173.875 173.606 0.269 1
1 60 . 16 1 1 A 7 7 ASN CA C 7 51.765 52.225 -0.460 1
1 61 . 16 1 1 A 7 7 ASN CB C 7 37.899 40.270 -2.371 1
1 62 . 16 1 1 A 7 7 ASN N N 7 115.683 115.467 0.216 1
1 64 . 16 1 1 A 8 8 CYS H H 8 7.743 8.918 -1.175 1
1 65 . 16 1 1 A 8 8 CYS HA H 8 4.975 4.925 0.050 1
1 68 . 16 1 1 A 8 8 CYS C C 8 177.334 176.233 1.101 1
1 69 . 16 1 1 A 8 8 CYS CA C 8 59.497 57.175 2.322 1
1 70 . 16 1 1 A 8 8 CYS CB C 8 29.111 30.574 -1.463 1
1 71 . 16 1 1 A 8 8 CYS N N 8 122.794 124.430 -1.636 1
1 72 . 16 1 1 A 9 9 GLN H H 9 9.862 8.727 1.135 1
1 73 . 16 1 1 A 9 9 GLN HA H 9 4.190 4.260 -0.070 1
1 80 . 16 1 1 A 9 9 GLN C C 9 175.014 174.804 0.210 1
1 81 . 16 1 1 A 9 9 GLN CA C 9 56.768 55.705 1.063 1
1 82 . 16 1 1 A 9 9 GLN CB C 9 28.755 28.870 -0.115 1
1 84 . 16 1 1 A 9 9 GLN N N 9 133.013 126.636 6.377 1
1 86 . 16 1 1 A 10 10 ARG H H 10 10.074 7.587 2.487 1
1 87 . 16 1 1 A 10 10 ARG HA H 10 4.152 3.861 0.291 1
1 93 . 16 1 1 A 10 10 ARG CA C 10 55.345 56.606 -1.261 1
1 94 . 16 1 1 A 10 10 ARG CB C 10 27.843 27.696 0.147 1
1 97 . 16 1 1 A 10 10 ARG N N 10 122.014 116.058 5.956 1
1 98 . 16 1 1 A 11 11 PRO HA H 11 4.278 4.539 -0.261 1
1 104 . 16 1 1 A 11 11 PRO C C 11 177.028 175.488 1.540 1
1 105 . 16 1 1 A 11 11 PRO CA C 11 62.703 62.436 0.267 1
1 106 . 16 1 1 A 11 11 PRO CB C 11 31.618 32.084 -0.466 1
1 109 . 16 1 1 A 12 12 CYS H H 12 8.488 8.527 -0.039 1
1 110 . 16 1 1 A 12 12 CYS HA H 12 4.519 5.233 -0.714 1
1 113 . 16 1 1 A 12 12 CYS C C 12 174.690 173.464 1.226 1
1 114 . 16 1 1 A 12 12 CYS CA C 12 58.146 57.771 0.375 1
1 115 . 16 1 1 A 12 12 CYS CB C 12 28.174 30.578 -2.404 1
1 116 . 16 1 1 A 12 12 CYS N N 12 118.868 121.386 -2.518 1
1 117 . 16 1 1 A 13 13 LYS H H 13 7.827 8.557 -0.730 1
1 118 . 16 1 1 A 13 13 LYS HA H 13 4.231 4.873 -0.642 1
1 124 . 16 1 1 A 13 13 LYS C C 13 175.756 176.353 -0.597 1
1 125 . 16 1 1 A 13 13 LYS CA C 13 56.836 54.474 2.362 1
1 126 . 16 1 1 A 13 13 LYS CB C 13 33.502 36.805 -3.303 1
1 130 . 16 1 1 A 13 13 LYS N N 13 122.032 126.015 -3.983 1
1 131 . 16 1 1 A 14 14 ASP H H 14 8.348 8.556 -0.208 1
1 132 . 16 1 1 A 14 14 ASP HA H 14 4.429 4.592 -0.163 1
1 135 . 16 1 1 A 14 14 ASP C C 14 176.011 176.188 -0.177 1
1 136 . 16 1 1 A 14 14 ASP CA C 14 55.877 55.820 0.057 1
1 137 . 16 1 1 A 14 14 ASP CB C 14 40.879 41.315 -0.436 1
1 138 . 16 1 1 A 14 14 ASP N N 14 119.433 121.576 -2.143 1
1 139 . 16 1 1 A 15 15 LYS H H 15 7.898 7.941 -0.043 1
1 140 . 16 1 1 A 15 15 LYS HA H 15 4.448 4.705 -0.257 1
1 146 . 16 1 1 A 15 15 LYS C C 15 175.094 175.223 -0.129 1
1 147 . 16 1 1 A 15 15 LYS CA C 15 55.647 55.214 0.433 1
1 148 . 16 1 1 A 15 15 LYS CB C 15 32.563 33.715 -1.152 1
1 151 . 16 1 1 A 15 15 LYS N N 15 119.751 119.170 0.581 1
1 152 . 16 1 1 A 16 16 VAL H H 16 7.977 8.535 -0.558 1
1 153 . 16 1 1 A 16 16 VAL HA H 16 3.990 4.539 -0.549 1
1 161 . 16 1 1 A 16 16 VAL C C 16 173.871 174.357 -0.486 1
1 162 . 16 1 1 A 16 16 VAL CA C 16 61.261 60.878 0.383 1
1 163 . 16 1 1 A 16 16 VAL CB C 16 33.377 33.680 -0.303 1
1 166 . 16 1 1 A 16 16 VAL N N 16 122.186 123.297 -1.111 1
1 167 . 16 1 1 A 17 17 ASP H H 17 7.749 8.956 -1.207 1
1 168 . 16 1 1 A 17 17 ASP HA H 17 5.082 4.898 0.184 1
1 171 . 16 1 1 A 17 17 ASP C C 17 176.746 176.440 0.306 1
1 172 . 16 1 1 A 17 17 ASP CA C 17 54.120 54.834 -0.714 1
1 173 . 16 1 1 A 17 17 ASP CB C 17 42.721 41.204 1.517 1
1 174 . 16 1 1 A 17 17 ASP N N 17 122.699 128.761 -6.062 1
1 175 . 16 1 1 A 18 18 TRP H H 18 9.513 9.302 0.211 1
1 176 . 16 1 1 A 18 18 TRP HA H 18 5.604 5.463 0.141 1
1 185 . 16 1 1 A 18 18 TRP C C 18 176.365 175.191 1.174 1
1 186 . 16 1 1 A 18 18 TRP CA C 18 57.700 55.999 1.701 1
1 187 . 16 1 1 A 18 18 TRP CB C 18 34.107 32.313 1.794 1
1 193 . 16 1 1 A 18 18 TRP N N 18 123.857 122.904 0.953 1
1 195 . 16 1 1 A 19 19 VAL H H 19 10.238 9.178 1.060 1
1 196 . 16 1 1 A 19 19 VAL HA H 19 4.670 4.853 -0.183 1
1 204 . 16 1 1 A 19 19 VAL CA C 19 61.089 59.585 1.504 1
1 205 . 16 1 1 A 19 19 VAL CB C 19 35.518 34.661 0.857 1
1 208 . 16 1 1 A 19 19 VAL N N 19 121.049 116.315 4.734 1
1 209 . 16 1 1 A 20 20 GLN H H 20 8.584 8.797 -0.213 1
1 210 . 16 1 1 A 20 20 GLN HA H 20 4.635 5.049 -0.414 1
1 217 . 16 1 1 A 20 20 GLN C C 20 175.662 175.220 0.442 1
1 218 . 16 1 1 A 20 20 GLN CA C 20 53.063 53.776 -0.713 1
1 219 . 16 1 1 A 20 20 GLN CB C 20 29.098 30.231 -1.133 1
1 221 . 16 1 1 A 20 20 GLN N N 20 130.340 123.796 6.544 1
1 223 . 16 1 1 A 21 21 CYS H H 21 8.740 8.922 -0.182 1
1 224 . 16 1 1 A 21 21 CYS HA H 21 4.588 5.207 -0.619 1
1 227 . 16 1 1 A 21 21 CYS CA C 21 60.617 58.288 2.329 1
1 228 . 16 1 1 A 21 21 CYS CB C 21 31.913 28.055 3.858 1
1 229 . 16 1 1 A 21 21 CYS N N 21 126.319 123.968 2.351 1
1 230 . 16 1 1 A 22 22 ASP H H 22 9.742 8.731 1.011 1
1 231 . 16 1 1 A 22 22 ASP HA H 22 5.079 4.745 0.334 1
1 234 . 16 1 1 A 22 22 ASP C C 22 178.015 176.828 1.187 1
1 235 . 16 1 1 A 22 22 ASP CA C 22 55.185 54.424 0.761 1
1 236 . 16 1 1 A 22 22 ASP CB C 22 42.664 41.236 1.428 1
1 237 . 16 1 1 A 22 22 ASP N N 22 130.603 126.416 4.187 1
1 238 . 16 1 1 A 23 23 GLY H H 23 10.762 8.007 2.755 1
1 239 . 16 1 1 A 23 23 GLY HA2 H 23 4.156 3.898 0.258 1
1 240 . 16 1 1 A 23 23 GLY HA3 H 23 3.536 3.916 -0.380 1
1 241 . 16 1 1 A 23 23 GLY C C 23 173.898 174.493 -0.595 1
1 242 . 16 1 1 A 23 23 GLY CA C 23 45.351 45.308 0.043 1
1 243 . 16 1 1 A 23 23 GLY N N 23 116.158 108.139 8.019 1
1 244 . 16 1 1 A 24 24 GLY H H 24 8.904 7.848 1.056 1
1 245 . 16 1 1 A 24 24 GLY HA2 H 24 3.499 4.029 -0.530 1
1 246 . 16 1 1 A 24 24 GLY HA3 H 24 4.740 4.029 0.711 1
1 247 . 16 1 1 A 24 24 GLY C C 24 175.291 175.881 -0.590 1
1 248 . 16 1 1 A 24 24 GLY CA C 24 45.209 45.405 -0.196 1
1 249 . 16 1 1 A 24 24 GLY N N 24 109.769 106.651 3.118 1
1 250 . 16 1 1 A 25 25 CYS H H 25 7.639 8.155 -0.516 1
1 251 . 16 1 1 A 25 25 CYS HA H 25 4.465 4.546 -0.081 1
1 254 . 16 1 1 A 25 25 CYS C C 25 175.738 174.160 1.578 1
1 255 . 16 1 1 A 25 25 CYS CA C 25 60.097 60.247 -0.150 1
1 256 . 16 1 1 A 25 25 CYS CB C 25 30.248 28.736 1.512 1
1 257 . 16 1 1 A 25 25 CYS N N 25 119.776 119.825 -0.049 1
1 258 . 16 1 1 A 26 26 ASP H H 26 8.209 7.897 0.312 1
1 259 . 16 1 1 A 26 26 ASP HA H 26 4.283 4.215 0.068 1
1 261 . 16 1 1 A 26 26 ASP C C 26 175.280 174.968 0.312 1
1 262 . 16 1 1 A 26 26 ASP CA C 26 56.107 55.503 0.604 1
1 263 . 16 1 1 A 26 26 ASP CB C 26 39.958 39.644 0.314 1
1 264 . 16 1 1 A 26 26 ASP N N 26 117.501 117.685 -0.184 1
1 265 . 16 1 1 A 27 27 GLU H H 27 9.023 8.063 0.960 1
1 266 . 16 1 1 A 27 27 GLU HA H 27 4.372 4.578 -0.206 1
1 271 . 16 1 1 A 27 27 GLU C C 27 174.686 175.693 -1.007 1
1 272 . 16 1 1 A 27 27 GLU CA C 27 58.185 55.665 2.520 1
1 273 . 16 1 1 A 27 27 GLU CB C 27 30.552 30.793 -0.241 1
1 275 . 16 1 1 A 27 27 GLU N N 27 123.133 117.718 5.415 1
1 276 . 16 1 1 A 28 28 TRP H H 28 8.452 8.904 -0.452 1
1 277 . 16 1 1 A 28 28 TRP HA H 28 4.967 5.827 -0.860 1
1 286 . 16 1 1 A 28 28 TRP C C 28 175.501 175.844 -0.343 1
1 287 . 16 1 1 A 28 28 TRP CA C 28 57.211 55.519 1.692 1
1 288 . 16 1 1 A 28 28 TRP CB C 28 31.524 31.336 0.188 1
1 294 . 16 1 1 A 28 28 TRP N N 28 118.126 121.370 -3.244 1
1 296 . 16 1 1 A 29 29 PHE H H 29 9.699 9.927 -0.228 1
1 297 . 16 1 1 A 29 29 PHE HA H 29 4.994 5.244 -0.250 1
1 303 . 16 1 1 A 29 29 PHE C C 29 176.176 175.140 1.036 1
1 304 . 16 1 1 A 29 29 PHE CA C 29 56.712 56.422 0.290 1
1 305 . 16 1 1 A 29 29 PHE CB C 29 43.056 42.668 0.388 1
1 309 . 16 1 1 A 29 29 PHE N N 29 119.283 122.170 -2.887 1
1 310 . 16 1 1 A 30 30 HIS H H 30 9.676 8.318 1.358 1
1 311 . 16 1 1 A 30 30 HIS HA H 30 4.400 4.503 -0.103 1
1 316 . 16 1 1 A 30 30 HIS C C 30 177.509 176.110 1.399 1
1 317 . 16 1 1 A 30 30 HIS CA C 30 56.723 55.219 1.504 1
1 318 . 16 1 1 A 30 30 HIS CB C 30 29.686 30.981 -1.295 1
1 320 . 16 1 1 A 30 30 HIS N N 30 124.436 119.286 5.150 1
1 321 . 16 1 1 A 31 31 GLN H H 31 8.537 8.904 -0.367 1
1 322 . 16 1 1 A 31 31 GLN HA H 31 3.486 3.775 -0.289 1
1 329 . 16 1 1 A 31 31 GLN C C 31 179.005 178.364 0.641 1
1 330 . 16 1 1 A 31 31 GLN CA C 31 60.606 59.415 1.191 1
1 331 . 16 1 1 A 31 31 GLN CB C 31 26.624 28.249 -1.625 1
1 333 . 16 1 1 A 31 31 GLN N N 31 124.297 122.853 1.444 1
1 335 . 16 1 1 A 32 32 VAL H H 32 8.688 8.039 0.649 1
1 336 . 16 1 1 A 32 32 VAL HA H 32 4.060 3.829 0.231 1
1 344 . 16 1 1 A 32 32 VAL C C 32 178.001 177.610 0.391 1
1 345 . 16 1 1 A 32 32 VAL CA C 32 64.333 64.531 -0.198 1
1 346 . 16 1 1 A 32 32 VAL CB C 32 31.703 31.499 0.204 1
1 349 . 16 1 1 A 32 32 VAL N N 32 113.575 119.067 -5.492 1
1 350 . 16 1 1 A 33 33 CYS H H 33 6.893 8.167 -1.274 1
1 351 . 16 1 1 A 33 33 CYS HA H 33 4.151 4.176 -0.025 1
1 354 . 16 1 1 A 33 33 CYS C C 33 177.137 175.605 1.532 1
1 355 . 16 1 1 A 33 33 CYS CA C 33 62.650 61.611 1.039 1
1 356 . 16 1 1 A 33 33 CYS CB C 33 29.399 27.205 2.194 1
1 357 . 16 1 1 A 33 33 CYS N N 33 120.368 119.642 0.726 1
1 358 . 16 1 1 A 34 34 VAL H H 34 7.137 7.827 -0.690 1
1 359 . 16 1 1 A 34 34 VAL HA H 34 4.564 4.365 0.199 1
1 367 . 16 1 1 A 34 34 VAL C C 34 175.969 175.949 0.020 1
1 368 . 16 1 1 A 34 34 VAL CA C 34 60.138 62.543 -2.405 1
1 369 . 16 1 1 A 34 34 VAL CB C 34 31.887 31.965 -0.078 1
1 372 . 16 1 1 A 34 34 VAL N N 34 106.615 118.663 -12.048 1
1 373 . 16 1 1 A 35 35 GLY H H 35 7.506 7.883 -0.377 1
1 374 . 16 1 1 A 35 35 GLY HA2 H 35 3.864 3.937 -0.073 1
1 375 . 16 1 1 A 35 35 GLY HA3 H 35 3.940 3.948 -0.008 1
1 376 . 16 1 1 A 35 35 GLY C C 35 174.670 174.358 0.312 1
1 377 . 16 1 1 A 35 35 GLY CA C 35 47.029 46.937 0.092 1
1 378 . 16 1 1 A 35 35 GLY N N 35 110.034 111.618 -1.584 1
1 379 . 16 1 1 A 36 36 VAL H H 36 7.621 8.141 -0.520 1
1 380 . 16 1 1 A 36 36 VAL HA H 36 4.300 4.627 -0.327 1
1 388 . 16 1 1 A 36 36 VAL C C 36 174.260 174.899 -0.639 1
1 389 . 16 1 1 A 36 36 VAL CA C 36 61.084 60.447 0.637 1
1 390 . 16 1 1 A 36 36 VAL CB C 36 34.059 35.223 -1.164 1
1 393 . 16 1 1 A 36 36 VAL N N 36 119.403 119.803 -0.400 1
1 394 . 16 1 1 A 37 37 SER H H 37 8.007 8.742 -0.735 1
1 395 . 16 1 1 A 37 37 SER HA H 37 4.861 5.037 -0.176 1
1 398 . 16 1 1 A 37 37 SER CA C 37 55.564 55.846 -0.282 1
1 399 . 16 1 1 A 37 37 SER CB C 37 63.789 63.941 -0.152 1
1 400 . 16 1 1 A 37 37 SER N N 37 122.814 119.107 3.707 1
1 401 . 16 1 1 A 38 38 PRO HA H 38 4.337 4.729 -0.392 1
1 407 . 16 1 1 A 38 38 PRO C C 38 179.162 177.905 1.257 1
1 408 . 16 1 1 A 38 38 PRO CA C 38 65.551 65.135 0.416 1
1 409 . 16 1 1 A 38 38 PRO CB C 38 31.882 31.915 -0.033 1
1 412 . 16 1 1 A 39 39 GLU H H 39 8.520 8.280 0.240 1
1 413 . 16 1 1 A 39 39 GLU HA H 39 4.126 4.147 -0.021 1
1 418 . 16 1 1 A 39 39 GLU C C 39 178.588 178.812 -0.224 1
1 419 . 16 1 1 A 39 39 GLU CA C 39 59.321 59.440 -0.119 1
1 420 . 16 1 1 A 39 39 GLU CB C 39 29.016 29.099 -0.083 1
1 422 . 16 1 1 A 39 39 GLU N N 39 116.621 118.096 -1.475 1
1 423 . 16 1 1 A 40 40 MET H H 40 7.707 8.016 -0.309 1
1 424 . 16 1 1 A 40 40 MET HA H 40 4.169 4.372 -0.203 1
1 431 . 16 1 1 A 40 40 MET C C 40 177.937 178.018 -0.081 1
1 432 . 16 1 1 A 40 40 MET CA C 40 58.076 57.425 0.651 1
1 433 . 16 1 1 A 40 40 MET CB C 40 33.752 32.211 1.541 1
1 436 . 16 1 1 A 40 40 MET N N 40 120.129 119.402 0.727 1
1 437 . 16 1 1 A 41 41 ALA H H 41 8.214 7.932 0.282 1
1 438 . 16 1 1 A 41 41 ALA HA H 41 4.148 3.938 0.210 1
1 442 . 16 1 1 A 41 41 ALA C C 41 179.237 179.503 -0.266 1
1 443 . 16 1 1 A 41 41 ALA CA C 41 54.188 55.551 -1.363 1
1 444 . 16 1 1 A 41 41 ALA CB C 41 18.596 18.629 -0.033 1
1 445 . 16 1 1 A 41 41 ALA N N 41 121.551 121.561 -0.010 1
1 446 . 16 1 1 A 42 42 GLU H H 42 7.823 7.892 -0.069 1
1 447 . 16 1 1 A 42 42 GLU HA H 42 4.377 4.229 0.148 1
1 450 . 16 1 1 A 42 42 GLU C C 42 177.669 178.558 -0.889 1
1 451 . 16 1 1 A 42 42 GLU CA C 42 57.775 59.227 -1.452 1
1 452 . 16 1 1 A 42 42 GLU CB C 42 30.495 30.275 0.220 1
1 454 . 16 1 1 A 42 42 GLU N N 42 115.185 118.295 -3.110 1
1 455 . 16 1 1 A 43 43 ASN H H 43 7.817 7.726 0.091 1
1 456 . 16 1 1 A 43 43 ASN HA H 43 4.845 4.695 0.150 1
1 461 . 16 1 1 A 43 43 ASN C C 43 174.634 175.292 -0.658 1
1 462 . 16 1 1 A 43 43 ASN CA C 43 54.343 55.369 -1.026 1
1 463 . 16 1 1 A 43 43 ASN CB C 43 40.910 39.424 1.486 1
1 464 . 16 1 1 A 43 43 ASN N N 43 115.082 117.195 -2.113 1
1 466 . 16 1 1 A 44 44 GLU H H 44 8.140 8.043 0.097 1
1 467 . 16 1 1 A 44 44 GLU HA H 44 4.572 4.788 -0.216 1
1 471 . 16 1 1 A 44 44 GLU C C 44 172.191 174.092 -1.901 1
1 472 . 16 1 1 A 44 44 GLU CA C 44 55.221 54.727 0.494 1
1 473 . 16 1 1 A 44 44 GLU CB C 44 32.235 34.379 -2.144 1
1 475 . 16 1 1 A 44 44 GLU N N 44 119.186 117.047 2.139 1
1 476 . 16 1 1 A 45 45 ASP H H 45 8.392 8.588 -0.196 1
1 477 . 16 1 1 A 45 45 ASP HA H 45 5.044 4.925 0.119 1
1 480 . 16 1 1 A 45 45 ASP CA C 45 53.829 53.182 0.647 1
1 481 . 16 1 1 A 45 45 ASP CB C 45 41.271 41.432 -0.161 1
1 482 . 16 1 1 A 45 45 ASP N N 45 121.008 121.701 -0.693 1
1 483 . 16 1 1 A 46 46 TYR H H 46 9.307 8.935 0.372 1
1 484 . 16 1 1 A 46 46 TYR HA H 46 4.508 4.637 -0.129 1
1 489 . 16 1 1 A 46 46 TYR C C 46 172.490 174.184 -1.694 1
1 490 . 16 1 1 A 46 46 TYR CA C 46 58.416 57.111 1.305 1
1 491 . 16 1 1 A 46 46 TYR CB C 46 39.842 38.632 1.210 1
1 494 . 16 1 1 A 46 46 TYR N N 46 124.739 128.033 -3.294 1
1 495 . 16 1 1 A 47 47 ILE H H 47 7.204 8.810 -1.606 1
1 496 . 16 1 1 A 47 47 ILE HA H 47 4.464 4.584 -0.120 1
1 506 . 16 1 1 A 47 47 ILE C C 47 174.754 174.666 0.088 1
1 507 . 16 1 1 A 47 47 ILE CA C 47 58.308 59.585 -1.277 1
1 508 . 16 1 1 A 47 47 ILE CB C 47 37.997 40.114 -2.117 1
1 512 . 16 1 1 A 47 47 ILE N N 47 128.235 127.742 0.493 1
1 513 . 16 1 1 A 48 48 CYS H H 48 9.441 7.972 1.469 1
1 514 . 16 1 1 A 48 48 CYS HA H 48 4.132 4.411 -0.279 1
1 517 . 16 1 1 A 48 48 CYS C C 48 175.259 175.339 -0.080 1
1 518 . 16 1 1 A 48 48 CYS CA C 48 58.247 55.966 2.281 1
1 519 . 16 1 1 A 48 48 CYS CB C 48 32.230 29.520 2.710 1
1 520 . 16 1 1 A 48 48 CYS N N 48 131.299 122.841 8.458 1
1 521 . 16 1 1 A 49 49 ILE H H 49 7.753 8.605 -0.852 1
1 522 . 16 1 1 A 49 49 ILE HA H 49 3.968 3.852 0.116 1
1 532 . 16 1 1 A 49 49 ILE C C 49 177.248 177.588 -0.340 1
1 533 . 16 1 1 A 49 49 ILE CA C 49 63.078 64.223 -1.145 1
1 534 . 16 1 1 A 49 49 ILE CB C 49 38.535 37.717 0.818 1
1 538 . 16 1 1 A 49 49 ILE N N 49 113.316 121.222 -7.906 1
1 539 . 16 1 1 A 50 50 ASN H H 50 8.884 7.809 1.075 1
1 540 . 16 1 1 A 50 50 ASN HA H 50 4.729 4.583 0.146 1
1 545 . 16 1 1 A 50 50 ASN C C 50 176.793 178.086 -1.293 1
1 546 . 16 1 1 A 50 50 ASN CA C 50 55.405 55.579 -0.174 1
1 547 . 16 1 1 A 50 50 ASN CB C 50 39.719 38.195 1.524 1
1 548 . 16 1 1 A 50 50 ASN N N 50 121.756 119.671 2.085 1
1 550 . 16 1 1 A 51 51 CYS H H 51 8.179 7.899 0.280 1
1 551 . 16 1 1 A 51 51 CYS HA H 51 4.121 4.245 -0.124 1
1 554 . 16 1 1 A 51 51 CYS C C 51 174.880 176.515 -1.635 1
1 555 . 16 1 1 A 51 51 CYS CA C 51 61.889 63.288 -1.399 1
1 556 . 16 1 1 A 51 51 CYS CB C 51 31.444 27.294 4.150 1
1 557 . 16 1 1 A 51 51 CYS N N 51 123.907 118.664 5.243 1
1 1 . 17 1 1 A 2 2 VAL H H 2 8.398 7.610 0.788 1
1 2 . 17 1 1 A 2 2 VAL HA H 2 5.045 4.679 0.366 1
1 10 . 17 1 1 A 2 2 VAL C C 2 175.547 175.704 -0.157 1
1 11 . 17 1 1 A 2 2 VAL CA C 2 60.781 60.409 0.372 1
1 12 . 17 1 1 A 2 2 VAL CB C 2 34.251 35.120 -0.869 1
1 15 . 17 1 1 A 3 3 CYS H H 3 9.217 8.961 0.256 1
1 16 . 17 1 1 A 3 3 CYS HA H 3 5.017 4.784 0.233 1
1 19 . 17 1 1 A 3 3 CYS C C 3 174.515 174.388 0.127 1
1 20 . 17 1 1 A 3 3 CYS CA C 3 57.354 57.706 -0.352 1
1 21 . 17 1 1 A 3 3 CYS CB C 3 31.812 28.831 2.981 1
1 22 . 17 1 1 A 3 3 CYS N N 3 128.514 125.689 2.825 1
1 23 . 17 1 1 A 4 4 ALA H H 4 7.577 8.279 -0.702 1
1 24 . 17 1 1 A 4 4 ALA HA H 4 4.294 4.842 -0.548 1
1 28 . 17 1 1 A 4 4 ALA C C 4 177.618 176.351 1.267 1
1 29 . 17 1 1 A 4 4 ALA CA C 4 52.672 50.474 2.198 1
1 30 . 17 1 1 A 4 4 ALA CB C 4 18.970 20.206 -1.236 1
1 31 . 17 1 1 A 4 4 ALA N N 4 121.274 123.324 -2.050 1
1 32 . 17 1 1 A 5 5 ALA H H 5 9.064 8.347 0.717 1
1 33 . 17 1 1 A 5 5 ALA HA H 5 4.553 4.915 -0.362 1
1 37 . 17 1 1 A 5 5 ALA C C 5 177.906 177.349 0.557 1
1 38 . 17 1 1 A 5 5 ALA CA C 5 53.048 51.986 1.062 1
1 39 . 17 1 1 A 5 5 ALA CB C 5 19.508 22.360 -2.852 1
1 40 . 17 1 1 A 5 5 ALA N N 5 125.546 124.926 0.620 1
1 41 . 17 1 1 A 6 6 GLN H H 6 9.013 8.710 0.303 1
1 42 . 17 1 1 A 6 6 GLN HA H 6 4.099 4.162 -0.063 1
1 48 . 17 1 1 A 6 6 GLN C C 6 176.725 176.369 0.356 1
1 49 . 17 1 1 A 6 6 GLN CA C 6 58.528 58.873 -0.345 1
1 50 . 17 1 1 A 6 6 GLN CB C 6 28.394 28.894 -0.500 1
1 52 . 17 1 1 A 6 6 GLN N N 6 123.087 121.695 1.392 1
1 54 . 17 1 1 A 7 7 ASN H H 7 8.406 7.943 0.463 1
1 55 . 17 1 1 A 7 7 ASN HA H 7 4.883 5.176 -0.293 1
1 59 . 17 1 1 A 7 7 ASN C C 7 173.875 173.490 0.385 1
1 60 . 17 1 1 A 7 7 ASN CA C 7 51.765 51.943 -0.178 1
1 61 . 17 1 1 A 7 7 ASN CB C 7 37.899 39.672 -1.773 1
1 62 . 17 1 1 A 7 7 ASN N N 7 115.683 116.712 -1.029 1
1 64 . 17 1 1 A 8 8 CYS H H 8 7.743 8.930 -1.187 1
1 65 . 17 1 1 A 8 8 CYS HA H 8 4.975 4.899 0.076 1
1 68 . 17 1 1 A 8 8 CYS C C 8 177.334 176.063 1.271 1
1 69 . 17 1 1 A 8 8 CYS CA C 8 59.497 57.069 2.428 1
1 70 . 17 1 1 A 8 8 CYS CB C 8 29.111 30.419 -1.308 1
1 71 . 17 1 1 A 8 8 CYS N N 8 122.794 126.961 -4.167 1
1 72 . 17 1 1 A 9 9 GLN H H 9 9.862 8.712 1.150 1
1 73 . 17 1 1 A 9 9 GLN HA H 9 4.190 4.256 -0.066 1
1 80 . 17 1 1 A 9 9 GLN C C 9 175.014 175.180 -0.166 1
1 81 . 17 1 1 A 9 9 GLN CA C 9 56.768 55.765 1.003 1
1 82 . 17 1 1 A 9 9 GLN CB C 9 28.755 28.884 -0.129 1
1 84 . 17 1 1 A 9 9 GLN N N 9 133.013 126.788 6.225 1
1 86 . 17 1 1 A 10 10 ARG H H 10 10.074 7.684 2.390 1
1 87 . 17 1 1 A 10 10 ARG HA H 10 4.152 3.883 0.269 1
1 93 . 17 1 1 A 10 10 ARG CA C 10 55.345 56.879 -1.534 1
1 94 . 17 1 1 A 10 10 ARG CB C 10 27.843 28.798 -0.955 1
1 97 . 17 1 1 A 10 10 ARG N N 10 122.014 119.364 2.650 1
1 98 . 17 1 1 A 11 11 PRO HA H 11 4.278 4.561 -0.283 1
1 104 . 17 1 1 A 11 11 PRO C C 11 177.028 175.470 1.558 1
1 105 . 17 1 1 A 11 11 PRO CA C 11 62.703 62.442 0.261 1
1 106 . 17 1 1 A 11 11 PRO CB C 11 31.618 32.030 -0.412 1
1 109 . 17 1 1 A 12 12 CYS H H 12 8.488 8.538 -0.050 1
1 110 . 17 1 1 A 12 12 CYS HA H 12 4.519 5.037 -0.518 1
1 113 . 17 1 1 A 12 12 CYS C C 12 174.690 173.463 1.227 1
1 114 . 17 1 1 A 12 12 CYS CA C 12 58.146 57.941 0.205 1
1 115 . 17 1 1 A 12 12 CYS CB C 12 28.174 29.399 -1.225 1
1 116 . 17 1 1 A 12 12 CYS N N 12 118.868 121.466 -2.598 1
1 117 . 17 1 1 A 13 13 LYS H H 13 7.827 8.509 -0.682 1
1 118 . 17 1 1 A 13 13 LYS HA H 13 4.231 4.857 -0.626 1
1 124 . 17 1 1 A 13 13 LYS C C 13 175.756 176.304 -0.548 1
1 125 . 17 1 1 A 13 13 LYS CA C 13 56.836 54.710 2.126 1
1 126 . 17 1 1 A 13 13 LYS CB C 13 33.502 36.186 -2.684 1
1 130 . 17 1 1 A 13 13 LYS N N 13 122.032 126.231 -4.199 1
1 131 . 17 1 1 A 14 14 ASP H H 14 8.348 8.938 -0.590 1
1 132 . 17 1 1 A 14 14 ASP HA H 14 4.429 4.557 -0.128 1
1 135 . 17 1 1 A 14 14 ASP C C 14 176.011 178.068 -2.057 1
1 136 . 17 1 1 A 14 14 ASP CA C 14 55.877 56.451 -0.574 1
1 137 . 17 1 1 A 14 14 ASP CB C 14 40.879 41.374 -0.495 1
1 138 . 17 1 1 A 14 14 ASP N N 14 119.433 122.396 -2.963 1
1 139 . 17 1 1 A 15 15 LYS H H 15 7.898 7.927 -0.029 1
1 140 . 17 1 1 A 15 15 LYS HA H 15 4.448 4.326 0.122 1
1 146 . 17 1 1 A 15 15 LYS C C 15 175.094 175.959 -0.865 1
1 147 . 17 1 1 A 15 15 LYS CA C 15 55.647 57.029 -1.382 1
1 148 . 17 1 1 A 15 15 LYS CB C 15 32.563 32.356 0.207 1
1 151 . 17 1 1 A 15 15 LYS N N 15 119.751 117.397 2.354 1
1 152 . 17 1 1 A 16 16 VAL H H 16 7.977 7.561 0.416 1
1 153 . 17 1 1 A 16 16 VAL HA H 16 3.990 4.612 -0.622 1
1 161 . 17 1 1 A 16 16 VAL C C 16 173.871 174.581 -0.710 1
1 162 . 17 1 1 A 16 16 VAL CA C 16 61.261 60.996 0.265 1
1 163 . 17 1 1 A 16 16 VAL CB C 16 33.377 33.924 -0.547 1
1 166 . 17 1 1 A 16 16 VAL N N 16 122.186 120.845 1.341 1
1 167 . 17 1 1 A 17 17 ASP H H 17 7.749 9.095 -1.346 1
1 168 . 17 1 1 A 17 17 ASP HA H 17 5.082 5.006 0.076 1
1 171 . 17 1 1 A 17 17 ASP C C 17 176.746 175.969 0.777 1
1 172 . 17 1 1 A 17 17 ASP CA C 17 54.120 54.424 -0.304 1
1 173 . 17 1 1 A 17 17 ASP CB C 17 42.721 42.153 0.568 1
1 174 . 17 1 1 A 17 17 ASP N N 17 122.699 130.432 -7.733 1
1 175 . 17 1 1 A 18 18 TRP H H 18 9.513 9.285 0.228 1
1 176 . 17 1 1 A 18 18 TRP HA H 18 5.604 5.514 0.090 1
1 185 . 17 1 1 A 18 18 TRP C C 18 176.365 175.031 1.334 1
1 186 . 17 1 1 A 18 18 TRP CA C 18 57.700 56.088 1.612 1
1 187 . 17 1 1 A 18 18 TRP CB C 18 34.107 32.857 1.250 1
1 193 . 17 1 1 A 18 18 TRP N N 18 123.857 125.096 -1.239 1
1 195 . 17 1 1 A 19 19 VAL H H 19 10.238 9.025 1.213 1
1 196 . 17 1 1 A 19 19 VAL HA H 19 4.670 4.812 -0.142 1
1 204 . 17 1 1 A 19 19 VAL CA C 19 61.089 59.359 1.730 1
1 205 . 17 1 1 A 19 19 VAL CB C 19 35.518 34.744 0.774 1
1 208 . 17 1 1 A 19 19 VAL N N 19 121.049 116.298 4.751 1
1 209 . 17 1 1 A 20 20 GLN H H 20 8.584 8.674 -0.090 1
1 210 . 17 1 1 A 20 20 GLN HA H 20 4.635 5.303 -0.668 1
1 217 . 17 1 1 A 20 20 GLN C C 20 175.662 174.830 0.832 1
1 218 . 17 1 1 A 20 20 GLN CA C 20 53.063 53.717 -0.654 1
1 219 . 17 1 1 A 20 20 GLN CB C 20 29.098 31.498 -2.400 1
1 221 . 17 1 1 A 20 20 GLN N N 20 130.340 122.911 7.429 1
1 223 . 17 1 1 A 21 21 CYS H H 21 8.740 8.936 -0.196 1
1 224 . 17 1 1 A 21 21 CYS HA H 21 4.588 5.303 -0.715 1
1 227 . 17 1 1 A 21 21 CYS CA C 21 60.617 58.275 2.342 1
1 228 . 17 1 1 A 21 21 CYS CB C 21 31.913 28.466 3.447 1
1 229 . 17 1 1 A 21 21 CYS N N 21 126.319 124.239 2.080 1
1 230 . 17 1 1 A 22 22 ASP H H 22 9.742 8.750 0.992 1
1 231 . 17 1 1 A 22 22 ASP HA H 22 5.079 4.778 0.301 1
1 234 . 17 1 1 A 22 22 ASP C C 22 178.015 176.826 1.189 1
1 235 . 17 1 1 A 22 22 ASP CA C 22 55.185 54.264 0.921 1
1 236 . 17 1 1 A 22 22 ASP CB C 22 42.664 41.297 1.367 1
1 237 . 17 1 1 A 22 22 ASP N N 22 130.603 126.330 4.273 1
1 238 . 17 1 1 A 23 23 GLY H H 23 10.762 8.068 2.694 1
1 239 . 17 1 1 A 23 23 GLY HA2 H 23 4.156 3.914 0.242 1
1 240 . 17 1 1 A 23 23 GLY HA3 H 23 3.536 3.929 -0.393 1
1 241 . 17 1 1 A 23 23 GLY C C 23 173.898 174.573 -0.675 1
1 242 . 17 1 1 A 23 23 GLY CA C 23 45.351 45.262 0.089 1
1 243 . 17 1 1 A 23 23 GLY N N 23 116.158 108.184 7.974 1
1 244 . 17 1 1 A 24 24 GLY H H 24 8.904 7.790 1.114 1
1 245 . 17 1 1 A 24 24 GLY HA2 H 24 3.499 4.025 -0.526 1
1 246 . 17 1 1 A 24 24 GLY HA3 H 24 4.740 4.025 0.715 1
1 247 . 17 1 1 A 24 24 GLY C C 24 175.291 175.913 -0.622 1
1 248 . 17 1 1 A 24 24 GLY CA C 24 45.209 45.396 -0.187 1
1 249 . 17 1 1 A 24 24 GLY N N 24 109.769 106.751 3.018 1
1 250 . 17 1 1 A 25 25 CYS H H 25 7.639 8.222 -0.583 1
1 251 . 17 1 1 A 25 25 CYS HA H 25 4.465 4.522 -0.057 1
1 254 . 17 1 1 A 25 25 CYS C C 25 175.738 174.212 1.526 1
1 255 . 17 1 1 A 25 25 CYS CA C 25 60.097 61.465 -1.368 1
1 256 . 17 1 1 A 25 25 CYS CB C 25 30.248 28.650 1.598 1
1 257 . 17 1 1 A 25 25 CYS N N 25 119.776 119.408 0.368 1
1 258 . 17 1 1 A 26 26 ASP H H 26 8.209 7.928 0.281 1
1 259 . 17 1 1 A 26 26 ASP HA H 26 4.283 4.203 0.080 1
1 261 . 17 1 1 A 26 26 ASP C C 26 175.280 174.888 0.392 1
1 262 . 17 1 1 A 26 26 ASP CA C 26 56.107 55.489 0.618 1
1 263 . 17 1 1 A 26 26 ASP CB C 26 39.958 39.676 0.282 1
1 264 . 17 1 1 A 26 26 ASP N N 26 117.501 117.579 -0.078 1
1 265 . 17 1 1 A 27 27 GLU H H 27 9.023 8.101 0.922 1
1 266 . 17 1 1 A 27 27 GLU HA H 27 4.372 4.636 -0.264 1
1 271 . 17 1 1 A 27 27 GLU C C 27 174.686 175.670 -0.984 1
1 272 . 17 1 1 A 27 27 GLU CA C 27 58.185 55.448 2.737 1
1 273 . 17 1 1 A 27 27 GLU CB C 27 30.552 30.881 -0.329 1
1 275 . 17 1 1 A 27 27 GLU N N 27 123.133 117.702 5.431 1
1 276 . 17 1 1 A 28 28 TRP H H 28 8.452 8.920 -0.468 1
1 277 . 17 1 1 A 28 28 TRP HA H 28 4.967 5.744 -0.777 1
1 286 . 17 1 1 A 28 28 TRP C C 28 175.501 175.584 -0.083 1
1 287 . 17 1 1 A 28 28 TRP CA C 28 57.211 55.411 1.800 1
1 288 . 17 1 1 A 28 28 TRP CB C 28 31.524 31.345 0.179 1
1 294 . 17 1 1 A 28 28 TRP N N 28 118.126 120.567 -2.441 1
1 296 . 17 1 1 A 29 29 PHE H H 29 9.699 9.915 -0.216 1
1 297 . 17 1 1 A 29 29 PHE HA H 29 4.994 5.143 -0.149 1
1 303 . 17 1 1 A 29 29 PHE C C 29 176.176 175.133 1.043 1
1 304 . 17 1 1 A 29 29 PHE CA C 29 56.712 56.350 0.362 1
1 305 . 17 1 1 A 29 29 PHE CB C 29 43.056 42.422 0.634 1
1 309 . 17 1 1 A 29 29 PHE N N 29 119.283 122.192 -2.909 1
1 310 . 17 1 1 A 30 30 HIS H H 30 9.676 8.276 1.400 1
1 311 . 17 1 1 A 30 30 HIS HA H 30 4.400 4.417 -0.017 1
1 316 . 17 1 1 A 30 30 HIS C C 30 177.509 176.229 1.280 1
1 317 . 17 1 1 A 30 30 HIS CA C 30 56.723 55.326 1.397 1
1 318 . 17 1 1 A 30 30 HIS CB C 30 29.686 30.934 -1.248 1
1 320 . 17 1 1 A 30 30 HIS N N 30 124.436 119.889 4.547 1
1 321 . 17 1 1 A 31 31 GLN H H 31 8.537 8.813 -0.276 1
1 322 . 17 1 1 A 31 31 GLN HA H 31 3.486 3.767 -0.281 1
1 329 . 17 1 1 A 31 31 GLN C C 31 179.005 178.263 0.742 1
1 330 . 17 1 1 A 31 31 GLN CA C 31 60.606 59.533 1.073 1
1 331 . 17 1 1 A 31 31 GLN CB C 31 26.624 28.345 -1.721 1
1 333 . 17 1 1 A 31 31 GLN N N 31 124.297 122.782 1.515 1
1 335 . 17 1 1 A 32 32 VAL H H 32 8.688 8.094 0.594 1
1 336 . 17 1 1 A 32 32 VAL HA H 32 4.060 3.794 0.266 1
1 344 . 17 1 1 A 32 32 VAL C C 32 178.001 177.589 0.412 1
1 345 . 17 1 1 A 32 32 VAL CA C 32 64.333 64.666 -0.333 1
1 346 . 17 1 1 A 32 32 VAL CB C 32 31.703 31.299 0.404 1
1 349 . 17 1 1 A 32 32 VAL N N 32 113.575 119.277 -5.702 1
1 350 . 17 1 1 A 33 33 CYS H H 33 6.893 8.121 -1.228 1
1 351 . 17 1 1 A 33 33 CYS HA H 33 4.151 4.185 -0.034 1
1 354 . 17 1 1 A 33 33 CYS C C 33 177.137 175.561 1.576 1
1 355 . 17 1 1 A 33 33 CYS CA C 33 62.650 61.340 1.310 1
1 356 . 17 1 1 A 33 33 CYS CB C 33 29.399 27.069 2.330 1
1 357 . 17 1 1 A 33 33 CYS N N 33 120.368 119.628 0.740 1
1 358 . 17 1 1 A 34 34 VAL H H 34 7.137 7.738 -0.601 1
1 359 . 17 1 1 A 34 34 VAL HA H 34 4.564 4.335 0.229 1
1 367 . 17 1 1 A 34 34 VAL C C 34 175.969 176.077 -0.108 1
1 368 . 17 1 1 A 34 34 VAL CA C 34 60.138 62.251 -2.113 1
1 369 . 17 1 1 A 34 34 VAL CB C 34 31.887 31.942 -0.055 1
1 372 . 17 1 1 A 34 34 VAL N N 34 106.615 118.942 -12.327 1
1 373 . 17 1 1 A 35 35 GLY H H 35 7.506 7.670 -0.164 1
1 374 . 17 1 1 A 35 35 GLY HA2 H 35 3.864 3.954 -0.090 1
1 375 . 17 1 1 A 35 35 GLY HA3 H 35 3.940 3.963 -0.023 1
1 376 . 17 1 1 A 35 35 GLY C C 35 174.670 174.817 -0.147 1
1 377 . 17 1 1 A 35 35 GLY CA C 35 47.029 46.532 0.497 1
1 378 . 17 1 1 A 35 35 GLY N N 35 110.034 111.172 -1.138 1
1 379 . 17 1 1 A 36 36 VAL H H 36 7.621 8.704 -1.083 1
1 380 . 17 1 1 A 36 36 VAL HA H 36 4.300 4.280 0.020 1
1 388 . 17 1 1 A 36 36 VAL C C 36 174.260 175.965 -1.705 1
1 389 . 17 1 1 A 36 36 VAL CA C 36 61.084 61.889 -0.805 1
1 390 . 17 1 1 A 36 36 VAL CB C 36 34.059 32.969 1.090 1
1 393 . 17 1 1 A 36 36 VAL N N 36 119.403 120.533 -1.130 1
1 394 . 17 1 1 A 37 37 SER H H 37 8.007 8.727 -0.720 1
1 395 . 17 1 1 A 37 37 SER HA H 37 4.861 5.054 -0.193 1
1 398 . 17 1 1 A 37 37 SER CA C 37 55.564 55.383 0.181 1
1 399 . 17 1 1 A 37 37 SER CB C 37 63.789 64.381 -0.592 1
1 400 . 17 1 1 A 37 37 SER N N 37 122.814 119.460 3.354 1
1 401 . 17 1 1 A 38 38 PRO HA H 38 4.337 4.571 -0.234 1
1 407 . 17 1 1 A 38 38 PRO C C 38 179.162 177.904 1.258 1
1 408 . 17 1 1 A 38 38 PRO CA C 38 65.551 65.576 -0.025 1
1 409 . 17 1 1 A 38 38 PRO CB C 38 31.882 31.933 -0.051 1
1 412 . 17 1 1 A 39 39 GLU H H 39 8.520 8.389 0.131 1
1 413 . 17 1 1 A 39 39 GLU HA H 39 4.126 4.191 -0.065 1
1 418 . 17 1 1 A 39 39 GLU C C 39 178.588 178.852 -0.264 1
1 419 . 17 1 1 A 39 39 GLU CA C 39 59.321 59.395 -0.074 1
1 420 . 17 1 1 A 39 39 GLU CB C 39 29.016 29.155 -0.139 1
1 422 . 17 1 1 A 39 39 GLU N N 39 116.621 118.033 -1.412 1
1 423 . 17 1 1 A 40 40 MET H H 40 7.707 8.067 -0.360 1
1 424 . 17 1 1 A 40 40 MET HA H 40 4.169 4.384 -0.215 1
1 431 . 17 1 1 A 40 40 MET C C 40 177.937 177.960 -0.023 1
1 432 . 17 1 1 A 40 40 MET CA C 40 58.076 57.395 0.681 1
1 433 . 17 1 1 A 40 40 MET CB C 40 33.752 32.122 1.630 1
1 436 . 17 1 1 A 40 40 MET N N 40 120.129 119.554 0.575 1
1 437 . 17 1 1 A 41 41 ALA H H 41 8.214 7.944 0.270 1
1 438 . 17 1 1 A 41 41 ALA HA H 41 4.148 3.985 0.163 1
1 442 . 17 1 1 A 41 41 ALA C C 41 179.237 179.155 0.082 1
1 443 . 17 1 1 A 41 41 ALA CA C 41 54.188 55.465 -1.277 1
1 444 . 17 1 1 A 41 41 ALA CB C 41 18.596 18.365 0.231 1
1 445 . 17 1 1 A 41 41 ALA N N 41 121.551 121.538 0.013 1
1 446 . 17 1 1 A 42 42 GLU H H 42 7.823 7.810 0.013 1
1 447 . 17 1 1 A 42 42 GLU HA H 42 4.377 4.289 0.088 1
1 450 . 17 1 1 A 42 42 GLU C C 42 177.669 177.558 0.111 1
1 451 . 17 1 1 A 42 42 GLU CA C 42 57.775 58.114 -0.339 1
1 452 . 17 1 1 A 42 42 GLU CB C 42 30.495 30.169 0.326 1
1 454 . 17 1 1 A 42 42 GLU N N 42 115.185 117.985 -2.800 1
1 455 . 17 1 1 A 43 43 ASN H H 43 7.817 8.021 -0.204 1
1 456 . 17 1 1 A 43 43 ASN HA H 43 4.845 4.834 0.011 1
1 461 . 17 1 1 A 43 43 ASN C C 43 174.634 175.470 -0.836 1
1 462 . 17 1 1 A 43 43 ASN CA C 43 54.343 54.572 -0.229 1
1 463 . 17 1 1 A 43 43 ASN CB C 43 40.910 40.252 0.658 1
1 464 . 17 1 1 A 43 43 ASN N N 43 115.082 116.354 -1.272 1
1 466 . 17 1 1 A 44 44 GLU H H 44 8.140 7.676 0.464 1
1 467 . 17 1 1 A 44 44 GLU HA H 44 4.572 4.846 -0.274 1
1 471 . 17 1 1 A 44 44 GLU C C 44 172.191 174.090 -1.899 1
1 472 . 17 1 1 A 44 44 GLU CA C 44 55.221 54.444 0.777 1
1 473 . 17 1 1 A 44 44 GLU CB C 44 32.235 33.944 -1.709 1
1 475 . 17 1 1 A 44 44 GLU N N 44 119.186 117.036 2.150 1
1 476 . 17 1 1 A 45 45 ASP H H 45 8.392 8.537 -0.145 1
1 477 . 17 1 1 A 45 45 ASP HA H 45 5.044 4.915 0.129 1
1 480 . 17 1 1 A 45 45 ASP CA C 45 53.829 53.144 0.685 1
1 481 . 17 1 1 A 45 45 ASP CB C 45 41.271 41.663 -0.392 1
1 482 . 17 1 1 A 45 45 ASP N N 45 121.008 121.538 -0.530 1
1 483 . 17 1 1 A 46 46 TYR H H 46 9.307 8.971 0.336 1
1 484 . 17 1 1 A 46 46 TYR HA H 46 4.508 4.672 -0.164 1
1 489 . 17 1 1 A 46 46 TYR C C 46 172.490 173.976 -1.486 1
1 490 . 17 1 1 A 46 46 TYR CA C 46 58.416 56.790 1.626 1
1 491 . 17 1 1 A 46 46 TYR CB C 46 39.842 39.061 0.781 1
1 494 . 17 1 1 A 46 46 TYR N N 46 124.739 127.858 -3.119 1
1 495 . 17 1 1 A 47 47 ILE H H 47 7.204 8.823 -1.619 1
1 496 . 17 1 1 A 47 47 ILE HA H 47 4.464 4.577 -0.113 1
1 506 . 17 1 1 A 47 47 ILE C C 47 174.754 175.365 -0.611 1
1 507 . 17 1 1 A 47 47 ILE CA C 47 58.308 59.562 -1.254 1
1 508 . 17 1 1 A 47 47 ILE CB C 47 37.997 39.972 -1.975 1
1 512 . 17 1 1 A 47 47 ILE N N 47 128.235 127.700 0.535 1
1 513 . 17 1 1 A 48 48 CYS H H 48 9.441 8.294 1.147 1
1 514 . 17 1 1 A 48 48 CYS HA H 48 4.132 4.386 -0.254 1
1 517 . 17 1 1 A 48 48 CYS C C 48 175.259 175.423 -0.164 1
1 518 . 17 1 1 A 48 48 CYS CA C 48 58.247 56.567 1.680 1
1 519 . 17 1 1 A 48 48 CYS CB C 48 32.230 29.082 3.148 1
1 520 . 17 1 1 A 48 48 CYS N N 48 131.299 123.188 8.111 1
1 521 . 17 1 1 A 49 49 ILE H H 49 7.753 8.594 -0.841 1
1 522 . 17 1 1 A 49 49 ILE HA H 49 3.968 3.847 0.121 1
1 532 . 17 1 1 A 49 49 ILE C C 49 177.248 177.659 -0.411 1
1 533 . 17 1 1 A 49 49 ILE CA C 49 63.078 64.148 -1.070 1
1 534 . 17 1 1 A 49 49 ILE CB C 49 38.535 37.730 0.805 1
1 538 . 17 1 1 A 49 49 ILE N N 49 113.316 121.574 -8.258 1
1 539 . 17 1 1 A 50 50 ASN H H 50 8.884 7.840 1.044 1
1 540 . 17 1 1 A 50 50 ASN HA H 50 4.729 4.579 0.150 1
1 545 . 17 1 1 A 50 50 ASN C C 50 176.793 177.850 -1.057 1
1 546 . 17 1 1 A 50 50 ASN CA C 50 55.405 55.833 -0.428 1
1 547 . 17 1 1 A 50 50 ASN CB C 50 39.719 38.475 1.244 1
1 548 . 17 1 1 A 50 50 ASN N N 50 121.756 119.499 2.257 1
1 550 . 17 1 1 A 51 51 CYS H H 51 8.179 7.946 0.233 1
1 551 . 17 1 1 A 51 51 CYS HA H 51 4.121 4.268 -0.147 1
1 554 . 17 1 1 A 51 51 CYS C C 51 174.880 176.434 -1.554 1
1 555 . 17 1 1 A 51 51 CYS CA C 51 61.889 62.962 -1.073 1
1 556 . 17 1 1 A 51 51 CYS CB C 51 31.444 27.047 4.397 1
1 557 . 17 1 1 A 51 51 CYS N N 51 123.907 118.235 5.672 1
1 1 . 18 1 1 A 2 2 VAL H H 2 8.398 8.965 -0.567 1
1 2 . 18 1 1 A 2 2 VAL HA H 2 5.045 4.722 0.323 1
1 10 . 18 1 1 A 2 2 VAL C C 2 175.547 175.987 -0.440 1
1 11 . 18 1 1 A 2 2 VAL CA C 2 60.781 61.742 -0.961 1
1 12 . 18 1 1 A 2 2 VAL CB C 2 34.251 33.229 1.022 1
1 15 . 18 1 1 A 3 3 CYS H H 3 9.217 8.746 0.471 1
1 16 . 18 1 1 A 3 3 CYS HA H 3 5.017 4.948 0.069 1
1 19 . 18 1 1 A 3 3 CYS C C 3 174.515 174.562 -0.047 1
1 20 . 18 1 1 A 3 3 CYS CA C 3 57.354 57.477 -0.123 1
1 21 . 18 1 1 A 3 3 CYS CB C 3 31.812 29.096 2.716 1
1 22 . 18 1 1 A 3 3 CYS N N 3 128.514 126.851 1.663 1
1 23 . 18 1 1 A 4 4 ALA H H 4 7.577 8.373 -0.796 1
1 24 . 18 1 1 A 4 4 ALA HA H 4 4.294 4.812 -0.518 1
1 28 . 18 1 1 A 4 4 ALA C C 4 177.618 176.495 1.123 1
1 29 . 18 1 1 A 4 4 ALA CA C 4 52.672 50.709 1.963 1
1 30 . 18 1 1 A 4 4 ALA CB C 4 18.970 20.030 -1.060 1
1 31 . 18 1 1 A 4 4 ALA N N 4 121.274 123.635 -2.361 1
1 32 . 18 1 1 A 5 5 ALA H H 5 9.064 8.362 0.702 1
1 33 . 18 1 1 A 5 5 ALA HA H 5 4.553 4.881 -0.328 1
1 37 . 18 1 1 A 5 5 ALA C C 5 177.906 177.347 0.559 1
1 38 . 18 1 1 A 5 5 ALA CA C 5 53.048 51.698 1.350 1
1 39 . 18 1 1 A 5 5 ALA CB C 5 19.508 22.172 -2.664 1
1 40 . 18 1 1 A 5 5 ALA N N 5 125.546 124.954 0.592 1
1 41 . 18 1 1 A 6 6 GLN H H 6 9.013 8.943 0.070 1
1 42 . 18 1 1 A 6 6 GLN HA H 6 4.099 4.049 0.050 1
1 48 . 18 1 1 A 6 6 GLN C C 6 176.725 175.589 1.136 1
1 49 . 18 1 1 A 6 6 GLN CA C 6 58.528 58.856 -0.328 1
1 50 . 18 1 1 A 6 6 GLN CB C 6 28.394 28.670 -0.276 1
1 52 . 18 1 1 A 6 6 GLN N N 6 123.087 120.266 2.821 1
1 54 . 18 1 1 A 7 7 ASN H H 7 8.406 7.987 0.419 1
1 55 . 18 1 1 A 7 7 ASN HA H 7 4.883 5.074 -0.191 1
1 59 . 18 1 1 A 7 7 ASN C C 7 173.875 173.429 0.446 1
1 60 . 18 1 1 A 7 7 ASN CA C 7 51.765 52.191 -0.426 1
1 61 . 18 1 1 A 7 7 ASN CB C 7 37.899 40.000 -2.101 1
1 62 . 18 1 1 A 7 7 ASN N N 7 115.683 116.362 -0.679 1
1 64 . 18 1 1 A 8 8 CYS H H 8 7.743 9.019 -1.276 1
1 65 . 18 1 1 A 8 8 CYS HA H 8 4.975 5.001 -0.026 1
1 68 . 18 1 1 A 8 8 CYS C C 8 177.334 174.293 3.041 1
1 69 . 18 1 1 A 8 8 CYS CA C 8 59.497 57.420 2.077 1
1 70 . 18 1 1 A 8 8 CYS CB C 8 29.111 29.359 -0.248 1
1 71 . 18 1 1 A 8 8 CYS N N 8 122.794 126.902 -4.108 1
1 72 . 18 1 1 A 9 9 GLN H H 9 9.862 8.655 1.207 1
1 73 . 18 1 1 A 9 9 GLN HA H 9 4.190 4.530 -0.340 1
1 80 . 18 1 1 A 9 9 GLN C C 9 175.014 174.951 0.063 1
1 81 . 18 1 1 A 9 9 GLN CA C 9 56.768 55.158 1.610 1
1 82 . 18 1 1 A 9 9 GLN CB C 9 28.755 30.066 -1.311 1
1 84 . 18 1 1 A 9 9 GLN N N 9 133.013 126.284 6.729 1
1 86 . 18 1 1 A 10 10 ARG H H 10 10.074 8.223 1.851 1
1 87 . 18 1 1 A 10 10 ARG HA H 10 4.152 4.872 -0.720 1
1 93 . 18 1 1 A 10 10 ARG CA C 10 55.345 53.314 2.031 1
1 94 . 18 1 1 A 10 10 ARG CB C 10 27.843 31.157 -3.314 1
1 97 . 18 1 1 A 10 10 ARG N N 10 122.014 121.020 0.994 1
1 98 . 18 1 1 A 11 11 PRO HA H 11 4.278 4.588 -0.310 1
1 104 . 18 1 1 A 11 11 PRO C C 11 177.028 176.184 0.844 1
1 105 . 18 1 1 A 11 11 PRO CA C 11 62.703 62.869 -0.166 1
1 106 . 18 1 1 A 11 11 PRO CB C 11 31.618 33.255 -1.637 1
1 109 . 18 1 1 A 12 12 CYS H H 12 8.488 8.369 0.119 1
1 110 . 18 1 1 A 12 12 CYS HA H 12 4.519 4.844 -0.325 1
1 113 . 18 1 1 A 12 12 CYS C C 12 174.690 174.685 0.005 1
1 114 . 18 1 1 A 12 12 CYS CA C 12 58.146 58.375 -0.229 1
1 115 . 18 1 1 A 12 12 CYS CB C 12 28.174 28.563 -0.389 1
1 116 . 18 1 1 A 12 12 CYS N N 12 118.868 116.401 2.467 1
1 117 . 18 1 1 A 13 13 LYS H H 13 7.827 7.511 0.316 1
1 118 . 18 1 1 A 13 13 LYS HA H 13 4.231 4.529 -0.298 1
1 124 . 18 1 1 A 13 13 LYS C C 13 175.756 177.476 -1.720 1
1 125 . 18 1 1 A 13 13 LYS CA C 13 56.836 54.721 2.115 1
1 126 . 18 1 1 A 13 13 LYS CB C 13 33.502 33.891 -0.389 1
1 130 . 18 1 1 A 13 13 LYS N N 13 122.032 121.406 0.626 1
1 131 . 18 1 1 A 14 14 ASP H H 14 8.348 8.736 -0.388 1
1 132 . 18 1 1 A 14 14 ASP HA H 14 4.429 4.426 0.003 1
1 135 . 18 1 1 A 14 14 ASP C C 14 176.011 177.356 -1.345 1
1 136 . 18 1 1 A 14 14 ASP CA C 14 55.877 57.163 -1.286 1
1 137 . 18 1 1 A 14 14 ASP CB C 14 40.879 41.147 -0.268 1
1 138 . 18 1 1 A 14 14 ASP N N 14 119.433 121.426 -1.993 1
1 139 . 18 1 1 A 15 15 LYS H H 15 7.898 7.791 0.107 1
1 140 . 18 1 1 A 15 15 LYS HA H 15 4.448 4.440 0.008 1
1 146 . 18 1 1 A 15 15 LYS C C 15 175.094 176.016 -0.922 1
1 147 . 18 1 1 A 15 15 LYS CA C 15 55.647 56.062 -0.415 1
1 148 . 18 1 1 A 15 15 LYS CB C 15 32.563 31.648 0.915 1
1 151 . 18 1 1 A 15 15 LYS N N 15 119.751 118.043 1.708 1
1 152 . 18 1 1 A 16 16 VAL H H 16 7.977 7.922 0.055 1
1 153 . 18 1 1 A 16 16 VAL HA H 16 3.990 4.527 -0.537 1
1 161 . 18 1 1 A 16 16 VAL C C 16 173.871 174.474 -0.603 1
1 162 . 18 1 1 A 16 16 VAL CA C 16 61.261 60.978 0.283 1
1 163 . 18 1 1 A 16 16 VAL CB C 16 33.377 33.283 0.094 1
1 166 . 18 1 1 A 16 16 VAL N N 16 122.186 122.968 -0.782 1
1 167 . 18 1 1 A 17 17 ASP H H 17 7.749 8.954 -1.205 1
1 168 . 18 1 1 A 17 17 ASP HA H 17 5.082 4.826 0.256 1
1 171 . 18 1 1 A 17 17 ASP C C 17 176.746 176.554 0.192 1
1 172 . 18 1 1 A 17 17 ASP CA C 17 54.120 54.962 -0.842 1
1 173 . 18 1 1 A 17 17 ASP CB C 17 42.721 41.227 1.494 1
1 174 . 18 1 1 A 17 17 ASP N N 17 122.699 129.031 -6.332 1
1 175 . 18 1 1 A 18 18 TRP H H 18 9.513 9.325 0.188 1
1 176 . 18 1 1 A 18 18 TRP HA H 18 5.604 5.515 0.089 1
1 185 . 18 1 1 A 18 18 TRP C C 18 176.365 175.277 1.088 1
1 186 . 18 1 1 A 18 18 TRP CA C 18 57.700 55.959 1.741 1
1 187 . 18 1 1 A 18 18 TRP CB C 18 34.107 32.350 1.757 1
1 193 . 18 1 1 A 18 18 TRP N N 18 123.857 122.620 1.237 1
1 195 . 18 1 1 A 19 19 VAL H H 19 10.238 9.012 1.226 1
1 196 . 18 1 1 A 19 19 VAL HA H 19 4.670 4.893 -0.223 1
1 204 . 18 1 1 A 19 19 VAL CA C 19 61.089 59.291 1.798 1
1 205 . 18 1 1 A 19 19 VAL CB C 19 35.518 35.297 0.221 1
1 208 . 18 1 1 A 19 19 VAL N N 19 121.049 115.951 5.098 1
1 209 . 18 1 1 A 20 20 GLN H H 20 8.584 8.681 -0.097 1
1 210 . 18 1 1 A 20 20 GLN HA H 20 4.635 4.943 -0.308 1
1 217 . 18 1 1 A 20 20 GLN C C 20 175.662 174.904 0.758 1
1 218 . 18 1 1 A 20 20 GLN CA C 20 53.063 53.512 -0.449 1
1 219 . 18 1 1 A 20 20 GLN CB C 20 29.098 31.726 -2.628 1
1 221 . 18 1 1 A 20 20 GLN N N 20 130.340 122.212 8.128 1
1 223 . 18 1 1 A 21 21 CYS H H 21 8.740 8.756 -0.016 1
1 224 . 18 1 1 A 21 21 CYS HA H 21 4.588 4.760 -0.172 1
1 227 . 18 1 1 A 21 21 CYS CA C 21 60.617 58.840 1.777 1
1 228 . 18 1 1 A 21 21 CYS CB C 21 31.913 27.418 4.495 1
1 229 . 18 1 1 A 21 21 CYS N N 21 126.319 124.695 1.624 1
1 230 . 18 1 1 A 22 22 ASP H H 22 9.742 9.276 0.466 1
1 231 . 18 1 1 A 22 22 ASP HA H 22 5.079 4.847 0.232 1
1 234 . 18 1 1 A 22 22 ASP C C 22 178.015 177.698 0.317 1
1 235 . 18 1 1 A 22 22 ASP CA C 22 55.185 54.248 0.937 1
1 236 . 18 1 1 A 22 22 ASP CB C 22 42.664 40.987 1.677 1
1 237 . 18 1 1 A 22 22 ASP N N 22 130.603 128.139 2.464 1
1 238 . 18 1 1 A 23 23 GLY H H 23 10.762 8.083 2.679 1
1 239 . 18 1 1 A 23 23 GLY HA2 H 23 4.156 3.885 0.271 1
1 240 . 18 1 1 A 23 23 GLY HA3 H 23 3.536 3.913 -0.377 1
1 241 . 18 1 1 A 23 23 GLY C C 23 173.898 174.453 -0.555 1
1 242 . 18 1 1 A 23 23 GLY CA C 23 45.351 45.297 0.054 1
1 243 . 18 1 1 A 23 23 GLY N N 23 116.158 107.643 8.515 1
1 244 . 18 1 1 A 24 24 GLY H H 24 8.904 7.676 1.228 1
1 245 . 18 1 1 A 24 24 GLY HA2 H 24 3.499 4.047 -0.548 1
1 246 . 18 1 1 A 24 24 GLY HA3 H 24 4.740 4.048 0.692 1
1 247 . 18 1 1 A 24 24 GLY C C 24 175.291 174.158 1.133 1
1 248 . 18 1 1 A 24 24 GLY CA C 24 45.209 45.368 -0.159 1
1 249 . 18 1 1 A 24 24 GLY N N 24 109.769 106.733 3.036 1
1 250 . 18 1 1 A 25 25 CYS H H 25 7.639 7.744 -0.105 1
1 251 . 18 1 1 A 25 25 CYS HA H 25 4.465 4.668 -0.203 1
1 254 . 18 1 1 A 25 25 CYS C C 25 175.738 174.637 1.101 1
1 255 . 18 1 1 A 25 25 CYS CA C 25 60.097 57.686 2.411 1
1 256 . 18 1 1 A 25 25 CYS CB C 25 30.248 28.407 1.841 1
1 257 . 18 1 1 A 25 25 CYS N N 25 119.776 118.418 1.358 1
1 258 . 18 1 1 A 26 26 ASP H H 26 8.209 8.751 -0.542 1
1 259 . 18 1 1 A 26 26 ASP HA H 26 4.283 4.444 -0.161 1
1 261 . 18 1 1 A 26 26 ASP C C 26 175.280 176.408 -1.128 1
1 262 . 18 1 1 A 26 26 ASP CA C 26 56.107 55.582 0.525 1
1 263 . 18 1 1 A 26 26 ASP CB C 26 39.958 39.930 0.028 1
1 264 . 18 1 1 A 26 26 ASP N N 26 117.501 122.830 -5.329 1
1 265 . 18 1 1 A 27 27 GLU H H 27 9.023 8.461 0.562 1
1 266 . 18 1 1 A 27 27 GLU HA H 27 4.372 4.573 -0.201 1
1 271 . 18 1 1 A 27 27 GLU C C 27 174.686 175.932 -1.246 1
1 272 . 18 1 1 A 27 27 GLU CA C 27 58.185 55.625 2.560 1
1 273 . 18 1 1 A 27 27 GLU CB C 27 30.552 30.661 -0.109 1
1 275 . 18 1 1 A 27 27 GLU N N 27 123.133 119.162 3.971 1
1 276 . 18 1 1 A 28 28 TRP H H 28 8.452 8.870 -0.418 1
1 277 . 18 1 1 A 28 28 TRP HA H 28 4.967 5.628 -0.661 1
1 286 . 18 1 1 A 28 28 TRP C C 28 175.501 175.534 -0.033 1
1 287 . 18 1 1 A 28 28 TRP CA C 28 57.211 55.498 1.713 1
1 288 . 18 1 1 A 28 28 TRP CB C 28 31.524 31.237 0.287 1
1 294 . 18 1 1 A 28 28 TRP N N 28 118.126 120.969 -2.843 1
1 296 . 18 1 1 A 29 29 PHE H H 29 9.699 9.734 -0.035 1
1 297 . 18 1 1 A 29 29 PHE HA H 29 4.994 5.207 -0.213 1
1 303 . 18 1 1 A 29 29 PHE C C 29 176.176 175.306 0.870 1
1 304 . 18 1 1 A 29 29 PHE CA C 29 56.712 56.152 0.560 1
1 305 . 18 1 1 A 29 29 PHE CB C 29 43.056 42.358 0.698 1
1 309 . 18 1 1 A 29 29 PHE N N 29 119.283 121.793 -2.510 1
1 310 . 18 1 1 A 30 30 HIS H H 30 9.676 8.247 1.429 1
1 311 . 18 1 1 A 30 30 HIS HA H 30 4.400 4.454 -0.054 1
1 316 . 18 1 1 A 30 30 HIS C C 30 177.509 176.421 1.088 1
1 317 . 18 1 1 A 30 30 HIS CA C 30 56.723 56.292 0.431 1
1 318 . 18 1 1 A 30 30 HIS CB C 30 29.686 30.343 -0.657 1
1 320 . 18 1 1 A 30 30 HIS N N 30 124.436 120.024 4.412 1
1 321 . 18 1 1 A 31 31 GLN H H 31 8.537 8.909 -0.372 1
1 322 . 18 1 1 A 31 31 GLN HA H 31 3.486 3.829 -0.343 1
1 329 . 18 1 1 A 31 31 GLN C C 31 179.005 178.441 0.564 1
1 330 . 18 1 1 A 31 31 GLN CA C 31 60.606 59.349 1.257 1
1 331 . 18 1 1 A 31 31 GLN CB C 31 26.624 28.355 -1.731 1
1 333 . 18 1 1 A 31 31 GLN N N 31 124.297 122.927 1.370 1
1 335 . 18 1 1 A 32 32 VAL H H 32 8.688 8.097 0.591 1
1 336 . 18 1 1 A 32 32 VAL HA H 32 4.060 3.760 0.300 1
1 344 . 18 1 1 A 32 32 VAL C C 32 178.001 177.528 0.473 1
1 345 . 18 1 1 A 32 32 VAL CA C 32 64.333 64.691 -0.358 1
1 346 . 18 1 1 A 32 32 VAL CB C 32 31.703 31.172 0.531 1
1 349 . 18 1 1 A 32 32 VAL N N 32 113.575 119.516 -5.941 1
1 350 . 18 1 1 A 33 33 CYS H H 33 6.893 8.146 -1.253 1
1 351 . 18 1 1 A 33 33 CYS HA H 33 4.151 4.179 -0.028 1
1 354 . 18 1 1 A 33 33 CYS C C 33 177.137 175.543 1.594 1
1 355 . 18 1 1 A 33 33 CYS CA C 33 62.650 61.358 1.292 1
1 356 . 18 1 1 A 33 33 CYS CB C 33 29.399 27.048 2.351 1
1 357 . 18 1 1 A 33 33 CYS N N 33 120.368 119.202 1.166 1
1 358 . 18 1 1 A 34 34 VAL H H 34 7.137 7.655 -0.518 1
1 359 . 18 1 1 A 34 34 VAL HA H 34 4.564 4.336 0.228 1
1 367 . 18 1 1 A 34 34 VAL C C 34 175.969 176.015 -0.046 1
1 368 . 18 1 1 A 34 34 VAL CA C 34 60.138 62.309 -2.171 1
1 369 . 18 1 1 A 34 34 VAL CB C 34 31.887 31.846 0.041 1
1 372 . 18 1 1 A 34 34 VAL N N 34 106.615 118.946 -12.331 1
1 373 . 18 1 1 A 35 35 GLY H H 35 7.506 7.633 -0.127 1
1 374 . 18 1 1 A 35 35 GLY HA2 H 35 3.864 3.953 -0.089 1
1 375 . 18 1 1 A 35 35 GLY HA3 H 35 3.940 3.962 -0.022 1
1 376 . 18 1 1 A 35 35 GLY C C 35 174.670 174.836 -0.166 1
1 377 . 18 1 1 A 35 35 GLY CA C 35 47.029 46.758 0.271 1
1 378 . 18 1 1 A 35 35 GLY N N 35 110.034 111.148 -1.114 1
1 379 . 18 1 1 A 36 36 VAL H H 36 7.621 8.714 -1.093 1
1 380 . 18 1 1 A 36 36 VAL HA H 36 4.300 4.245 0.055 1
1 388 . 18 1 1 A 36 36 VAL C C 36 174.260 176.222 -1.962 1
1 389 . 18 1 1 A 36 36 VAL CA C 36 61.084 62.003 -0.919 1
1 390 . 18 1 1 A 36 36 VAL CB C 36 34.059 32.735 1.324 1
1 393 . 18 1 1 A 36 36 VAL N N 36 119.403 120.376 -0.973 1
1 394 . 18 1 1 A 37 37 SER H H 37 8.007 8.836 -0.829 1
1 395 . 18 1 1 A 37 37 SER HA H 37 4.861 5.044 -0.183 1
1 398 . 18 1 1 A 37 37 SER CA C 37 55.564 55.837 -0.273 1
1 399 . 18 1 1 A 37 37 SER CB C 37 63.789 63.972 -0.183 1
1 400 . 18 1 1 A 37 37 SER N N 37 122.814 118.875 3.939 1
1 401 . 18 1 1 A 38 38 PRO HA H 38 4.337 4.667 -0.330 1
1 407 . 18 1 1 A 38 38 PRO C C 38 179.162 178.651 0.511 1
1 408 . 18 1 1 A 38 38 PRO CA C 38 65.551 65.565 -0.014 1
1 409 . 18 1 1 A 38 38 PRO CB C 38 31.882 31.941 -0.059 1
1 412 . 18 1 1 A 39 39 GLU H H 39 8.520 8.501 0.019 1
1 413 . 18 1 1 A 39 39 GLU HA H 39 4.126 4.107 0.019 1
1 418 . 18 1 1 A 39 39 GLU C C 39 178.588 179.006 -0.418 1
1 419 . 18 1 1 A 39 39 GLU CA C 39 59.321 59.244 0.077 1
1 420 . 18 1 1 A 39 39 GLU CB C 39 29.016 29.013 0.003 1
1 422 . 18 1 1 A 39 39 GLU N N 39 116.621 117.271 -0.650 1
1 423 . 18 1 1 A 40 40 MET H H 40 7.707 7.939 -0.232 1
1 424 . 18 1 1 A 40 40 MET HA H 40 4.169 4.364 -0.195 1
1 431 . 18 1 1 A 40 40 MET C C 40 177.937 178.048 -0.111 1
1 432 . 18 1 1 A 40 40 MET CA C 40 58.076 57.659 0.417 1
1 433 . 18 1 1 A 40 40 MET CB C 40 33.752 32.267 1.485 1
1 436 . 18 1 1 A 40 40 MET N N 40 120.129 120.160 -0.031 1
1 437 . 18 1 1 A 41 41 ALA H H 41 8.214 7.841 0.373 1
1 438 . 18 1 1 A 41 41 ALA HA H 41 4.148 3.954 0.194 1
1 442 . 18 1 1 A 41 41 ALA C C 41 179.237 178.719 0.518 1
1 443 . 18 1 1 A 41 41 ALA CA C 41 54.188 55.489 -1.301 1
1 444 . 18 1 1 A 41 41 ALA CB C 41 18.596 18.390 0.206 1
1 445 . 18 1 1 A 41 41 ALA N N 41 121.551 121.579 -0.028 1
1 446 . 18 1 1 A 42 42 GLU H H 42 7.823 8.106 -0.283 1
1 447 . 18 1 1 A 42 42 GLU HA H 42 4.377 4.305 0.072 1
1 450 . 18 1 1 A 42 42 GLU C C 42 177.669 177.551 0.118 1
1 451 . 18 1 1 A 42 42 GLU CA C 42 57.775 57.488 0.287 1
1 452 . 18 1 1 A 42 42 GLU CB C 42 30.495 30.475 0.020 1
1 454 . 18 1 1 A 42 42 GLU N N 42 115.185 115.796 -0.611 1
1 455 . 18 1 1 A 43 43 ASN H H 43 7.817 7.669 0.148 1
1 456 . 18 1 1 A 43 43 ASN HA H 43 4.845 4.855 -0.010 1
1 461 . 18 1 1 A 43 43 ASN C C 43 174.634 175.140 -0.506 1
1 462 . 18 1 1 A 43 43 ASN CA C 43 54.343 54.106 0.237 1
1 463 . 18 1 1 A 43 43 ASN CB C 43 40.910 41.237 -0.327 1
1 464 . 18 1 1 A 43 43 ASN N N 43 115.082 116.154 -1.072 1
1 466 . 18 1 1 A 44 44 GLU H H 44 8.140 8.206 -0.066 1
1 467 . 18 1 1 A 44 44 GLU HA H 44 4.572 4.742 -0.170 1
1 471 . 18 1 1 A 44 44 GLU C C 44 172.191 174.293 -2.102 1
1 472 . 18 1 1 A 44 44 GLU CA C 44 55.221 54.835 0.386 1
1 473 . 18 1 1 A 44 44 GLU CB C 44 32.235 33.639 -1.404 1
1 475 . 18 1 1 A 44 44 GLU N N 44 119.186 117.182 2.004 1
1 476 . 18 1 1 A 45 45 ASP H H 45 8.392 8.699 -0.307 1
1 477 . 18 1 1 A 45 45 ASP HA H 45 5.044 4.925 0.119 1
1 480 . 18 1 1 A 45 45 ASP CA C 45 53.829 53.071 0.758 1
1 481 . 18 1 1 A 45 45 ASP CB C 45 41.271 41.186 0.085 1
1 482 . 18 1 1 A 45 45 ASP N N 45 121.008 121.880 -0.872 1
1 483 . 18 1 1 A 46 46 TYR H H 46 9.307 8.949 0.358 1
1 484 . 18 1 1 A 46 46 TYR HA H 46 4.508 4.670 -0.162 1
1 489 . 18 1 1 A 46 46 TYR C C 46 172.490 174.370 -1.880 1
1 490 . 18 1 1 A 46 46 TYR CA C 46 58.416 57.568 0.848 1
1 491 . 18 1 1 A 46 46 TYR CB C 46 39.842 38.447 1.395 1
1 494 . 18 1 1 A 46 46 TYR N N 46 124.739 128.054 -3.315 1
1 495 . 18 1 1 A 47 47 ILE H H 47 7.204 8.743 -1.539 1
1 496 . 18 1 1 A 47 47 ILE HA H 47 4.464 4.461 0.003 1
1 506 . 18 1 1 A 47 47 ILE C C 47 174.754 175.066 -0.312 1
1 507 . 18 1 1 A 47 47 ILE CA C 47 58.308 59.653 -1.345 1
1 508 . 18 1 1 A 47 47 ILE CB C 47 37.997 39.490 -1.493 1
1 512 . 18 1 1 A 47 47 ILE N N 47 128.235 127.797 0.438 1
1 513 . 18 1 1 A 48 48 CYS H H 48 9.441 7.964 1.477 1
1 514 . 18 1 1 A 48 48 CYS HA H 48 4.132 4.318 -0.186 1
1 517 . 18 1 1 A 48 48 CYS C C 48 175.259 175.341 -0.082 1
1 518 . 18 1 1 A 48 48 CYS CA C 48 58.247 55.918 2.329 1
1 519 . 18 1 1 A 48 48 CYS CB C 48 32.230 29.335 2.895 1
1 520 . 18 1 1 A 48 48 CYS N N 48 131.299 122.384 8.915 1
1 521 . 18 1 1 A 49 49 ILE H H 49 7.753 8.539 -0.786 1
1 522 . 18 1 1 A 49 49 ILE HA H 49 3.968 3.815 0.153 1
1 532 . 18 1 1 A 49 49 ILE C C 49 177.248 177.552 -0.304 1
1 533 . 18 1 1 A 49 49 ILE CA C 49 63.078 64.108 -1.030 1
1 534 . 18 1 1 A 49 49 ILE CB C 49 38.535 37.854 0.681 1
1 538 . 18 1 1 A 49 49 ILE N N 49 113.316 121.264 -7.948 1
1 539 . 18 1 1 A 50 50 ASN H H 50 8.884 7.690 1.194 1
1 540 . 18 1 1 A 50 50 ASN HA H 50 4.729 4.661 0.068 1
1 545 . 18 1 1 A 50 50 ASN C C 50 176.793 177.315 -0.522 1
1 546 . 18 1 1 A 50 50 ASN CA C 50 55.405 55.331 0.074 1
1 547 . 18 1 1 A 50 50 ASN CB C 50 39.719 39.175 0.544 1
1 548 . 18 1 1 A 50 50 ASN N N 50 121.756 119.389 2.367 1
1 550 . 18 1 1 A 51 51 CYS H H 51 8.179 7.983 0.196 1
1 551 . 18 1 1 A 51 51 CYS HA H 51 4.121 4.371 -0.250 1
1 554 . 18 1 1 A 51 51 CYS C C 51 174.880 176.789 -1.909 1
1 555 . 18 1 1 A 51 51 CYS CA C 51 61.889 62.763 -0.874 1
1 556 . 18 1 1 A 51 51 CYS CB C 51 31.444 26.677 4.767 1
1 557 . 18 1 1 A 51 51 CYS N N 51 123.907 118.519 5.388 1
1 1 . 19 1 1 A 2 2 VAL H H 2 8.398 8.645 -0.247 1
1 2 . 19 1 1 A 2 2 VAL HA H 2 5.045 4.821 0.224 1
1 10 . 19 1 1 A 2 2 VAL C C 2 175.547 175.621 -0.074 1
1 11 . 19 1 1 A 2 2 VAL CA C 2 60.781 60.433 0.348 1
1 12 . 19 1 1 A 2 2 VAL CB C 2 34.251 35.340 -1.089 1
1 15 . 19 1 1 A 3 3 CYS H H 3 9.217 8.503 0.714 1
1 16 . 19 1 1 A 3 3 CYS HA H 3 5.017 5.063 -0.046 1
1 19 . 19 1 1 A 3 3 CYS C C 3 174.515 174.543 -0.028 1
1 20 . 19 1 1 A 3 3 CYS CA C 3 57.354 57.096 0.258 1
1 21 . 19 1 1 A 3 3 CYS CB C 3 31.812 29.358 2.454 1
1 22 . 19 1 1 A 3 3 CYS N N 3 128.514 125.134 3.380 1
1 23 . 19 1 1 A 4 4 ALA H H 4 7.577 8.325 -0.748 1
1 24 . 19 1 1 A 4 4 ALA HA H 4 4.294 4.765 -0.471 1
1 28 . 19 1 1 A 4 4 ALA C C 4 177.618 176.481 1.137 1
1 29 . 19 1 1 A 4 4 ALA CA C 4 52.672 50.893 1.779 1
1 30 . 19 1 1 A 4 4 ALA CB C 4 18.970 20.066 -1.096 1
1 31 . 19 1 1 A 4 4 ALA N N 4 121.274 123.230 -1.956 1
1 32 . 19 1 1 A 5 5 ALA H H 5 9.064 8.414 0.650 1
1 33 . 19 1 1 A 5 5 ALA HA H 5 4.553 4.905 -0.352 1
1 37 . 19 1 1 A 5 5 ALA C C 5 177.906 177.329 0.577 1
1 38 . 19 1 1 A 5 5 ALA CA C 5 53.048 51.811 1.237 1
1 39 . 19 1 1 A 5 5 ALA CB C 5 19.508 22.142 -2.634 1
1 40 . 19 1 1 A 5 5 ALA N N 5 125.546 124.938 0.608 1
1 41 . 19 1 1 A 6 6 GLN H H 6 9.013 8.605 0.408 1
1 42 . 19 1 1 A 6 6 GLN HA H 6 4.099 4.155 -0.056 1
1 48 . 19 1 1 A 6 6 GLN C C 6 176.725 176.297 0.428 1
1 49 . 19 1 1 A 6 6 GLN CA C 6 58.528 59.011 -0.483 1
1 50 . 19 1 1 A 6 6 GLN CB C 6 28.394 28.836 -0.442 1
1 52 . 19 1 1 A 6 6 GLN N N 6 123.087 121.136 1.951 1
1 54 . 19 1 1 A 7 7 ASN H H 7 8.406 8.011 0.395 1
1 55 . 19 1 1 A 7 7 ASN HA H 7 4.883 5.097 -0.214 1
1 59 . 19 1 1 A 7 7 ASN C C 7 173.875 173.351 0.524 1
1 60 . 19 1 1 A 7 7 ASN CA C 7 51.765 52.196 -0.431 1
1 61 . 19 1 1 A 7 7 ASN CB C 7 37.899 40.235 -2.336 1
1 62 . 19 1 1 A 7 7 ASN N N 7 115.683 116.114 -0.431 1
1 64 . 19 1 1 A 8 8 CYS H H 8 7.743 8.859 -1.116 1
1 65 . 19 1 1 A 8 8 CYS HA H 8 4.975 4.759 0.216 1
1 68 . 19 1 1 A 8 8 CYS C C 8 177.334 176.491 0.843 1
1 69 . 19 1 1 A 8 8 CYS CA C 8 59.497 57.655 1.842 1
1 70 . 19 1 1 A 8 8 CYS CB C 8 29.111 29.643 -0.532 1
1 71 . 19 1 1 A 8 8 CYS N N 8 122.794 126.536 -3.742 1
1 72 . 19 1 1 A 9 9 GLN H H 9 9.862 8.755 1.107 1
1 73 . 19 1 1 A 9 9 GLN HA H 9 4.190 4.177 0.013 1
1 80 . 19 1 1 A 9 9 GLN C C 9 175.014 174.975 0.039 1
1 81 . 19 1 1 A 9 9 GLN CA C 9 56.768 55.666 1.102 1
1 82 . 19 1 1 A 9 9 GLN CB C 9 28.755 28.786 -0.031 1
1 84 . 19 1 1 A 9 9 GLN N N 9 133.013 126.995 6.018 1
1 86 . 19 1 1 A 10 10 ARG H H 10 10.074 7.414 2.660 1
1 87 . 19 1 1 A 10 10 ARG HA H 10 4.152 3.868 0.284 1
1 93 . 19 1 1 A 10 10 ARG CA C 10 55.345 56.656 -1.311 1
1 94 . 19 1 1 A 10 10 ARG CB C 10 27.843 27.691 0.152 1
1 97 . 19 1 1 A 10 10 ARG N N 10 122.014 116.342 5.672 1
1 98 . 19 1 1 A 11 11 PRO HA H 11 4.278 4.574 -0.296 1
1 104 . 19 1 1 A 11 11 PRO C C 11 177.028 175.495 1.533 1
1 105 . 19 1 1 A 11 11 PRO CA C 11 62.703 62.693 0.010 1
1 106 . 19 1 1 A 11 11 PRO CB C 11 31.618 32.108 -0.490 1
1 109 . 19 1 1 A 12 12 CYS H H 12 8.488 8.617 -0.129 1
1 110 . 19 1 1 A 12 12 CYS HA H 12 4.519 5.111 -0.592 1
1 113 . 19 1 1 A 12 12 CYS C C 12 174.690 173.347 1.343 1
1 114 . 19 1 1 A 12 12 CYS CA C 12 58.146 57.956 0.190 1
1 115 . 19 1 1 A 12 12 CYS CB C 12 28.174 30.517 -2.343 1
1 116 . 19 1 1 A 12 12 CYS N N 12 118.868 120.907 -2.039 1
1 117 . 19 1 1 A 13 13 LYS H H 13 7.827 8.463 -0.636 1
1 118 . 19 1 1 A 13 13 LYS HA H 13 4.231 4.871 -0.640 1
1 124 . 19 1 1 A 13 13 LYS C C 13 175.756 176.455 -0.699 1
1 125 . 19 1 1 A 13 13 LYS CA C 13 56.836 54.105 2.731 1
1 126 . 19 1 1 A 13 13 LYS CB C 13 33.502 36.272 -2.770 1
1 130 . 19 1 1 A 13 13 LYS N N 13 122.032 126.510 -4.478 1
1 131 . 19 1 1 A 14 14 ASP H H 14 8.348 8.617 -0.269 1
1 132 . 19 1 1 A 14 14 ASP HA H 14 4.429 4.498 -0.069 1
1 135 . 19 1 1 A 14 14 ASP C C 14 176.011 177.150 -1.139 1
1 136 . 19 1 1 A 14 14 ASP CA C 14 55.877 56.942 -1.065 1
1 137 . 19 1 1 A 14 14 ASP CB C 14 40.879 41.234 -0.355 1
1 138 . 19 1 1 A 14 14 ASP N N 14 119.433 121.845 -2.412 1
1 139 . 19 1 1 A 15 15 LYS H H 15 7.898 7.660 0.238 1
1 140 . 19 1 1 A 15 15 LYS HA H 15 4.448 4.518 -0.070 1
1 146 . 19 1 1 A 15 15 LYS C C 15 175.094 175.697 -0.603 1
1 147 . 19 1 1 A 15 15 LYS CA C 15 55.647 55.675 -0.028 1
1 148 . 19 1 1 A 15 15 LYS CB C 15 32.563 32.362 0.201 1
1 151 . 19 1 1 A 15 15 LYS N N 15 119.751 118.894 0.857 1
1 152 . 19 1 1 A 16 16 VAL H H 16 7.977 7.865 0.112 1
1 153 . 19 1 1 A 16 16 VAL HA H 16 3.990 4.564 -0.574 1
1 161 . 19 1 1 A 16 16 VAL C C 16 173.871 174.241 -0.370 1
1 162 . 19 1 1 A 16 16 VAL CA C 16 61.261 60.713 0.548 1
1 163 . 19 1 1 A 16 16 VAL CB C 16 33.377 33.800 -0.423 1
1 166 . 19 1 1 A 16 16 VAL N N 16 122.186 124.507 -2.321 1
1 167 . 19 1 1 A 17 17 ASP H H 17 7.749 9.014 -1.265 1
1 168 . 19 1 1 A 17 17 ASP HA H 17 5.082 4.952 0.130 1
1 171 . 19 1 1 A 17 17 ASP C C 17 176.746 176.731 0.015 1
1 172 . 19 1 1 A 17 17 ASP CA C 17 54.120 54.936 -0.816 1
1 173 . 19 1 1 A 17 17 ASP CB C 17 42.721 41.193 1.528 1
1 174 . 19 1 1 A 17 17 ASP N N 17 122.699 128.834 -6.135 1
1 175 . 19 1 1 A 18 18 TRP H H 18 9.513 9.277 0.236 1
1 176 . 19 1 1 A 18 18 TRP HA H 18 5.604 5.502 0.102 1
1 185 . 19 1 1 A 18 18 TRP C C 18 176.365 175.043 1.322 1
1 186 . 19 1 1 A 18 18 TRP CA C 18 57.700 56.016 1.684 1
1 187 . 19 1 1 A 18 18 TRP CB C 18 34.107 33.414 0.693 1
1 193 . 19 1 1 A 18 18 TRP N N 18 123.857 122.372 1.485 1
1 195 . 19 1 1 A 19 19 VAL H H 19 10.238 9.144 1.094 1
1 196 . 19 1 1 A 19 19 VAL HA H 19 4.670 4.945 -0.275 1
1 204 . 19 1 1 A 19 19 VAL CA C 19 61.089 59.612 1.477 1
1 205 . 19 1 1 A 19 19 VAL CB C 19 35.518 35.048 0.470 1
1 208 . 19 1 1 A 19 19 VAL N N 19 121.049 116.427 4.622 1
1 209 . 19 1 1 A 20 20 GLN H H 20 8.584 8.806 -0.222 1
1 210 . 19 1 1 A 20 20 GLN HA H 20 4.635 5.145 -0.510 1
1 217 . 19 1 1 A 20 20 GLN C C 20 175.662 175.228 0.434 1
1 218 . 19 1 1 A 20 20 GLN CA C 20 53.063 53.702 -0.639 1
1 219 . 19 1 1 A 20 20 GLN CB C 20 29.098 30.855 -1.757 1
1 221 . 19 1 1 A 20 20 GLN N N 20 130.340 123.299 7.041 1
1 223 . 19 1 1 A 21 21 CYS H H 21 8.740 9.026 -0.286 1
1 224 . 19 1 1 A 21 21 CYS HA H 21 4.588 4.945 -0.357 1
1 227 . 19 1 1 A 21 21 CYS CA C 21 60.617 58.514 2.103 1
1 228 . 19 1 1 A 21 21 CYS CB C 21 31.913 28.081 3.832 1
1 229 . 19 1 1 A 21 21 CYS N N 21 126.319 123.972 2.347 1
1 230 . 19 1 1 A 22 22 ASP H H 22 9.742 8.765 0.977 1
1 231 . 19 1 1 A 22 22 ASP HA H 22 5.079 4.728 0.351 1
1 234 . 19 1 1 A 22 22 ASP C C 22 178.015 176.957 1.058 1
1 235 . 19 1 1 A 22 22 ASP CA C 22 55.185 54.538 0.647 1
1 236 . 19 1 1 A 22 22 ASP CB C 22 42.664 41.089 1.575 1
1 237 . 19 1 1 A 22 22 ASP N N 22 130.603 125.912 4.691 1
1 238 . 19 1 1 A 23 23 GLY H H 23 10.762 7.956 2.806 1
1 239 . 19 1 1 A 23 23 GLY HA2 H 23 4.156 3.873 0.283 1
1 240 . 19 1 1 A 23 23 GLY HA3 H 23 3.536 3.899 -0.363 1
1 241 . 19 1 1 A 23 23 GLY C C 23 173.898 174.478 -0.580 1
1 242 . 19 1 1 A 23 23 GLY CA C 23 45.351 45.261 0.090 1
1 243 . 19 1 1 A 23 23 GLY N N 23 116.158 107.942 8.216 1
1 244 . 19 1 1 A 24 24 GLY H H 24 8.904 7.768 1.136 1
1 245 . 19 1 1 A 24 24 GLY HA2 H 24 3.499 4.006 -0.507 1
1 246 . 19 1 1 A 24 24 GLY HA3 H 24 4.740 4.008 0.732 1
1 247 . 19 1 1 A 24 24 GLY C C 24 175.291 175.913 -0.622 1
1 248 . 19 1 1 A 24 24 GLY CA C 24 45.209 45.366 -0.157 1
1 249 . 19 1 1 A 24 24 GLY N N 24 109.769 106.641 3.128 1
1 250 . 19 1 1 A 25 25 CYS H H 25 7.639 8.173 -0.534 1
1 251 . 19 1 1 A 25 25 CYS HA H 25 4.465 4.509 -0.044 1
1 254 . 19 1 1 A 25 25 CYS C C 25 175.738 174.269 1.469 1
1 255 . 19 1 1 A 25 25 CYS CA C 25 60.097 60.772 -0.675 1
1 256 . 19 1 1 A 25 25 CYS CB C 25 30.248 28.482 1.766 1
1 257 . 19 1 1 A 25 25 CYS N N 25 119.776 119.751 0.025 1
1 258 . 19 1 1 A 26 26 ASP H H 26 8.209 7.675 0.534 1
1 259 . 19 1 1 A 26 26 ASP HA H 26 4.283 4.192 0.091 1
1 261 . 19 1 1 A 26 26 ASP C C 26 175.280 174.856 0.424 1
1 262 . 19 1 1 A 26 26 ASP CA C 26 56.107 55.473 0.634 1
1 263 . 19 1 1 A 26 26 ASP CB C 26 39.958 39.616 0.342 1
1 264 . 19 1 1 A 26 26 ASP N N 26 117.501 117.778 -0.277 1
1 265 . 19 1 1 A 27 27 GLU H H 27 9.023 8.033 0.990 1
1 266 . 19 1 1 A 27 27 GLU HA H 27 4.372 4.745 -0.373 1
1 271 . 19 1 1 A 27 27 GLU C C 27 174.686 175.676 -0.990 1
1 272 . 19 1 1 A 27 27 GLU CA C 27 58.185 54.996 3.189 1
1 273 . 19 1 1 A 27 27 GLU CB C 27 30.552 30.936 -0.384 1
1 275 . 19 1 1 A 27 27 GLU N N 27 123.133 117.530 5.603 1
1 276 . 19 1 1 A 28 28 TRP H H 28 8.452 8.844 -0.392 1
1 277 . 19 1 1 A 28 28 TRP HA H 28 4.967 5.796 -0.829 1
1 286 . 19 1 1 A 28 28 TRP C C 28 175.501 175.562 -0.061 1
1 287 . 19 1 1 A 28 28 TRP CA C 28 57.211 55.116 2.095 1
1 288 . 19 1 1 A 28 28 TRP CB C 28 31.524 31.850 -0.326 1
1 294 . 19 1 1 A 28 28 TRP N N 28 118.126 120.146 -2.020 1
1 296 . 19 1 1 A 29 29 PHE H H 29 9.699 10.098 -0.399 1
1 297 . 19 1 1 A 29 29 PHE HA H 29 4.994 5.194 -0.200 1
1 303 . 19 1 1 A 29 29 PHE C C 29 176.176 175.244 0.932 1
1 304 . 19 1 1 A 29 29 PHE CA C 29 56.712 56.222 0.490 1
1 305 . 19 1 1 A 29 29 PHE CB C 29 43.056 43.188 -0.132 1
1 309 . 19 1 1 A 29 29 PHE N N 29 119.283 121.775 -2.492 1
1 310 . 19 1 1 A 30 30 HIS H H 30 9.676 8.423 1.253 1
1 311 . 19 1 1 A 30 30 HIS HA H 30 4.400 4.514 -0.114 1
1 316 . 19 1 1 A 30 30 HIS C C 30 177.509 176.234 1.275 1
1 317 . 19 1 1 A 30 30 HIS CA C 30 56.723 55.351 1.372 1
1 318 . 19 1 1 A 30 30 HIS CB C 30 29.686 30.669 -0.983 1
1 320 . 19 1 1 A 30 30 HIS N N 30 124.436 120.057 4.379 1
1 321 . 19 1 1 A 31 31 GLN H H 31 8.537 8.815 -0.278 1
1 322 . 19 1 1 A 31 31 GLN HA H 31 3.486 3.708 -0.222 1
1 329 . 19 1 1 A 31 31 GLN C C 31 179.005 178.323 0.682 1
1 330 . 19 1 1 A 31 31 GLN CA C 31 60.606 59.353 1.253 1
1 331 . 19 1 1 A 31 31 GLN CB C 31 26.624 28.269 -1.645 1
1 333 . 19 1 1 A 31 31 GLN N N 31 124.297 122.954 1.343 1
1 335 . 19 1 1 A 32 32 VAL H H 32 8.688 8.091 0.597 1
1 336 . 19 1 1 A 32 32 VAL HA H 32 4.060 3.789 0.271 1
1 344 . 19 1 1 A 32 32 VAL C C 32 178.001 177.552 0.449 1
1 345 . 19 1 1 A 32 32 VAL CA C 32 64.333 64.402 -0.069 1
1 346 . 19 1 1 A 32 32 VAL CB C 32 31.703 31.440 0.263 1
1 349 . 19 1 1 A 32 32 VAL N N 32 113.575 119.049 -5.474 1
1 350 . 19 1 1 A 33 33 CYS H H 33 6.893 8.196 -1.303 1
1 351 . 19 1 1 A 33 33 CYS HA H 33 4.151 4.164 -0.013 1
1 354 . 19 1 1 A 33 33 CYS C C 33 177.137 175.633 1.504 1
1 355 . 19 1 1 A 33 33 CYS CA C 33 62.650 61.641 1.009 1
1 356 . 19 1 1 A 33 33 CYS CB C 33 29.399 27.224 2.175 1
1 357 . 19 1 1 A 33 33 CYS N N 33 120.368 119.558 0.810 1
1 358 . 19 1 1 A 34 34 VAL H H 34 7.137 7.935 -0.798 1
1 359 . 19 1 1 A 34 34 VAL HA H 34 4.564 4.358 0.206 1
1 367 . 19 1 1 A 34 34 VAL C C 34 175.969 175.946 0.023 1
1 368 . 19 1 1 A 34 34 VAL CA C 34 60.138 62.482 -2.344 1
1 369 . 19 1 1 A 34 34 VAL CB C 34 31.887 31.962 -0.075 1
1 372 . 19 1 1 A 34 34 VAL N N 34 106.615 118.746 -12.131 1
1 373 . 19 1 1 A 35 35 GLY H H 35 7.506 7.832 -0.326 1
1 374 . 19 1 1 A 35 35 GLY HA2 H 35 3.864 3.895 -0.031 1
1 375 . 19 1 1 A 35 35 GLY HA3 H 35 3.940 3.914 0.026 1
1 376 . 19 1 1 A 35 35 GLY C C 35 174.670 174.284 0.386 1
1 377 . 19 1 1 A 35 35 GLY CA C 35 47.029 46.914 0.115 1
1 378 . 19 1 1 A 35 35 GLY N N 35 110.034 111.606 -1.572 1
1 379 . 19 1 1 A 36 36 VAL H H 36 7.621 8.156 -0.535 1
1 380 . 19 1 1 A 36 36 VAL HA H 36 4.300 4.452 -0.152 1
1 388 . 19 1 1 A 36 36 VAL C C 36 174.260 174.884 -0.624 1
1 389 . 19 1 1 A 36 36 VAL CA C 36 61.084 60.343 0.741 1
1 390 . 19 1 1 A 36 36 VAL CB C 36 34.059 34.926 -0.867 1
1 393 . 19 1 1 A 36 36 VAL N N 36 119.403 120.034 -0.631 1
1 394 . 19 1 1 A 37 37 SER H H 37 8.007 8.792 -0.785 1
1 395 . 19 1 1 A 37 37 SER HA H 37 4.861 4.961 -0.100 1
1 398 . 19 1 1 A 37 37 SER CA C 37 55.564 56.307 -0.743 1
1 399 . 19 1 1 A 37 37 SER CB C 37 63.789 63.547 0.242 1
1 400 . 19 1 1 A 37 37 SER N N 37 122.814 120.227 2.587 1
1 401 . 19 1 1 A 38 38 PRO HA H 38 4.337 4.963 -0.626 1
1 407 . 19 1 1 A 38 38 PRO C C 38 179.162 178.630 0.532 1
1 408 . 19 1 1 A 38 38 PRO CA C 38 65.551 65.625 -0.074 1
1 409 . 19 1 1 A 38 38 PRO CB C 38 31.882 31.761 0.121 1
1 412 . 19 1 1 A 39 39 GLU H H 39 8.520 8.492 0.028 1
1 413 . 19 1 1 A 39 39 GLU HA H 39 4.126 4.096 0.030 1
1 418 . 19 1 1 A 39 39 GLU C C 39 178.588 179.158 -0.570 1
1 419 . 19 1 1 A 39 39 GLU CA C 39 59.321 59.164 0.157 1
1 420 . 19 1 1 A 39 39 GLU CB C 39 29.016 28.850 0.166 1
1 422 . 19 1 1 A 39 39 GLU N N 39 116.621 117.306 -0.685 1
1 423 . 19 1 1 A 40 40 MET H H 40 7.707 7.897 -0.190 1
1 424 . 19 1 1 A 40 40 MET HA H 40 4.169 4.233 -0.064 1
1 431 . 19 1 1 A 40 40 MET C C 40 177.937 177.931 0.006 1
1 432 . 19 1 1 A 40 40 MET CA C 40 58.076 57.992 0.084 1
1 433 . 19 1 1 A 40 40 MET CB C 40 33.752 32.142 1.610 1
1 436 . 19 1 1 A 40 40 MET N N 40 120.129 120.061 0.068 1
1 437 . 19 1 1 A 41 41 ALA H H 41 8.214 7.836 0.378 1
1 438 . 19 1 1 A 41 41 ALA HA H 41 4.148 3.923 0.225 1
1 442 . 19 1 1 A 41 41 ALA C C 41 179.237 178.788 0.449 1
1 443 . 19 1 1 A 41 41 ALA CA C 41 54.188 55.529 -1.341 1
1 444 . 19 1 1 A 41 41 ALA CB C 41 18.596 18.508 0.088 1
1 445 . 19 1 1 A 41 41 ALA N N 41 121.551 121.667 -0.116 1
1 446 . 19 1 1 A 42 42 GLU H H 42 7.823 8.089 -0.266 1
1 447 . 19 1 1 A 42 42 GLU HA H 42 4.377 4.223 0.154 1
1 450 . 19 1 1 A 42 42 GLU C C 42 177.669 177.696 -0.027 1
1 451 . 19 1 1 A 42 42 GLU CA C 42 57.775 58.175 -0.400 1
1 452 . 19 1 1 A 42 42 GLU CB C 42 30.495 30.483 0.012 1
1 454 . 19 1 1 A 42 42 GLU N N 42 115.185 116.785 -1.600 1
1 455 . 19 1 1 A 43 43 ASN H H 43 7.817 7.609 0.208 1
1 456 . 19 1 1 A 43 43 ASN HA H 43 4.845 4.820 0.025 1
1 461 . 19 1 1 A 43 43 ASN C C 43 174.634 175.061 -0.427 1
1 462 . 19 1 1 A 43 43 ASN CA C 43 54.343 53.999 0.344 1
1 463 . 19 1 1 A 43 43 ASN CB C 43 40.910 41.163 -0.253 1
1 464 . 19 1 1 A 43 43 ASN N N 43 115.082 116.109 -1.027 1
1 466 . 19 1 1 A 44 44 GLU H H 44 8.140 8.245 -0.105 1
1 467 . 19 1 1 A 44 44 GLU HA H 44 4.572 4.785 -0.213 1
1 471 . 19 1 1 A 44 44 GLU C C 44 172.191 174.270 -2.079 1
1 472 . 19 1 1 A 44 44 GLU CA C 44 55.221 54.882 0.339 1
1 473 . 19 1 1 A 44 44 GLU CB C 44 32.235 33.146 -0.911 1
1 475 . 19 1 1 A 44 44 GLU N N 44 119.186 117.099 2.087 1
1 476 . 19 1 1 A 45 45 ASP H H 45 8.392 8.613 -0.221 1
1 477 . 19 1 1 A 45 45 ASP HA H 45 5.044 4.904 0.140 1
1 480 . 19 1 1 A 45 45 ASP CA C 45 53.829 53.192 0.637 1
1 481 . 19 1 1 A 45 45 ASP CB C 45 41.271 41.255 0.016 1
1 482 . 19 1 1 A 45 45 ASP N N 45 121.008 122.180 -1.172 1
1 483 . 19 1 1 A 46 46 TYR H H 46 9.307 8.949 0.358 1
1 484 . 19 1 1 A 46 46 TYR HA H 46 4.508 4.655 -0.147 1
1 489 . 19 1 1 A 46 46 TYR C C 46 172.490 174.089 -1.599 1
1 490 . 19 1 1 A 46 46 TYR CA C 46 58.416 56.751 1.665 1
1 491 . 19 1 1 A 46 46 TYR CB C 46 39.842 38.746 1.096 1
1 494 . 19 1 1 A 46 46 TYR N N 46 124.739 128.269 -3.530 1
1 495 . 19 1 1 A 47 47 ILE H H 47 7.204 8.218 -1.014 1
1 496 . 19 1 1 A 47 47 ILE HA H 47 4.464 4.246 0.218 1
1 506 . 19 1 1 A 47 47 ILE C C 47 174.754 175.296 -0.542 1
1 507 . 19 1 1 A 47 47 ILE CA C 47 58.308 60.125 -1.817 1
1 508 . 19 1 1 A 47 47 ILE CB C 47 37.997 39.535 -1.538 1
1 512 . 19 1 1 A 47 47 ILE N N 47 128.235 128.294 -0.059 1
1 513 . 19 1 1 A 48 48 CYS H H 48 9.441 8.195 1.246 1
1 514 . 19 1 1 A 48 48 CYS HA H 48 4.132 4.322 -0.190 1
1 517 . 19 1 1 A 48 48 CYS C C 48 175.259 175.084 0.175 1
1 518 . 19 1 1 A 48 48 CYS CA C 48 58.247 56.295 1.952 1
1 519 . 19 1 1 A 48 48 CYS CB C 48 32.230 28.756 3.474 1
1 520 . 19 1 1 A 48 48 CYS N N 48 131.299 123.413 7.886 1
1 521 . 19 1 1 A 49 49 ILE H H 49 7.753 8.603 -0.850 1
1 522 . 19 1 1 A 49 49 ILE HA H 49 3.968 3.827 0.141 1
1 532 . 19 1 1 A 49 49 ILE C C 49 177.248 177.573 -0.325 1
1 533 . 19 1 1 A 49 49 ILE CA C 49 63.078 64.251 -1.173 1
1 534 . 19 1 1 A 49 49 ILE CB C 49 38.535 37.656 0.879 1
1 538 . 19 1 1 A 49 49 ILE N N 49 113.316 121.551 -8.235 1
1 539 . 19 1 1 A 50 50 ASN H H 50 8.884 7.703 1.181 1
1 540 . 19 1 1 A 50 50 ASN HA H 50 4.729 4.553 0.176 1
1 545 . 19 1 1 A 50 50 ASN C C 50 176.793 177.937 -1.144 1
1 546 . 19 1 1 A 50 50 ASN CA C 50 55.405 55.864 -0.459 1
1 547 . 19 1 1 A 50 50 ASN CB C 50 39.719 38.273 1.446 1
1 548 . 19 1 1 A 50 50 ASN N N 50 121.756 119.737 2.019 1
1 550 . 19 1 1 A 51 51 CYS H H 51 8.179 7.932 0.247 1
1 551 . 19 1 1 A 51 51 CYS HA H 51 4.121 4.201 -0.080 1
1 554 . 19 1 1 A 51 51 CYS C C 51 174.880 176.357 -1.477 1
1 555 . 19 1 1 A 51 51 CYS CA C 51 61.889 63.282 -1.393 1
1 556 . 19 1 1 A 51 51 CYS CB C 51 31.444 27.108 4.336 1
1 557 . 19 1 1 A 51 51 CYS N N 51 123.907 118.270 5.637 1
1 1 . 20 1 1 A 2 2 VAL H H 2 8.398 8.612 -0.214 1
1 2 . 20 1 1 A 2 2 VAL HA H 2 5.045 4.771 0.274 1
1 10 . 20 1 1 A 2 2 VAL C C 2 175.547 175.725 -0.178 1
1 11 . 20 1 1 A 2 2 VAL CA C 2 60.781 60.464 0.317 1
1 12 . 20 1 1 A 2 2 VAL CB C 2 34.251 35.179 -0.928 1
1 15 . 20 1 1 A 3 3 CYS H H 3 9.217 8.893 0.324 1
1 16 . 20 1 1 A 3 3 CYS HA H 3 5.017 4.847 0.170 1
1 19 . 20 1 1 A 3 3 CYS C C 3 174.515 174.493 0.022 1
1 20 . 20 1 1 A 3 3 CYS CA C 3 57.354 57.536 -0.182 1
1 21 . 20 1 1 A 3 3 CYS CB C 3 31.812 28.916 2.896 1
1 22 . 20 1 1 A 3 3 CYS N N 3 128.514 125.254 3.260 1
1 23 . 20 1 1 A 4 4 ALA H H 4 7.577 8.280 -0.703 1
1 24 . 20 1 1 A 4 4 ALA HA H 4 4.294 4.756 -0.462 1
1 28 . 20 1 1 A 4 4 ALA C C 4 177.618 176.533 1.085 1
1 29 . 20 1 1 A 4 4 ALA CA C 4 52.672 50.829 1.843 1
1 30 . 20 1 1 A 4 4 ALA CB C 4 18.970 20.015 -1.045 1
1 31 . 20 1 1 A 4 4 ALA N N 4 121.274 123.476 -2.202 1
1 32 . 20 1 1 A 5 5 ALA H H 5 9.064 8.370 0.694 1
1 33 . 20 1 1 A 5 5 ALA HA H 5 4.553 4.921 -0.368 1
1 37 . 20 1 1 A 5 5 ALA C C 5 177.906 177.224 0.682 1
1 38 . 20 1 1 A 5 5 ALA CA C 5 53.048 51.707 1.341 1
1 39 . 20 1 1 A 5 5 ALA CB C 5 19.508 22.100 -2.592 1
1 40 . 20 1 1 A 5 5 ALA N N 5 125.546 124.953 0.593 1
1 41 . 20 1 1 A 6 6 GLN H H 6 9.013 8.591 0.422 1
1 42 . 20 1 1 A 6 6 GLN HA H 6 4.099 4.156 -0.057 1
1 48 . 20 1 1 A 6 6 GLN C C 6 176.725 176.301 0.424 1
1 49 . 20 1 1 A 6 6 GLN CA C 6 58.528 59.023 -0.495 1
1 50 . 20 1 1 A 6 6 GLN CB C 6 28.394 28.898 -0.504 1
1 52 . 20 1 1 A 6 6 GLN N N 6 123.087 121.093 1.994 1
1 54 . 20 1 1 A 7 7 ASN H H 7 8.406 7.973 0.433 1
1 55 . 20 1 1 A 7 7 ASN HA H 7 4.883 5.106 -0.223 1
1 59 . 20 1 1 A 7 7 ASN C C 7 173.875 173.359 0.516 1
1 60 . 20 1 1 A 7 7 ASN CA C 7 51.765 52.400 -0.635 1
1 61 . 20 1 1 A 7 7 ASN CB C 7 37.899 40.428 -2.529 1
1 62 . 20 1 1 A 7 7 ASN N N 7 115.683 116.061 -0.378 1
1 64 . 20 1 1 A 8 8 CYS H H 8 7.743 8.852 -1.109 1
1 65 . 20 1 1 A 8 8 CYS HA H 8 4.975 4.811 0.164 1
1 68 . 20 1 1 A 8 8 CYS C C 8 177.334 176.391 0.943 1
1 69 . 20 1 1 A 8 8 CYS CA C 8 59.497 57.559 1.938 1
1 70 . 20 1 1 A 8 8 CYS CB C 8 29.111 29.729 -0.618 1
1 71 . 20 1 1 A 8 8 CYS N N 8 122.794 126.435 -3.641 1
1 72 . 20 1 1 A 9 9 GLN H H 9 9.862 8.807 1.055 1
1 73 . 20 1 1 A 9 9 GLN HA H 9 4.190 4.119 0.071 1
1 80 . 20 1 1 A 9 9 GLN C C 9 175.014 175.145 -0.131 1
1 81 . 20 1 1 A 9 9 GLN CA C 9 56.768 55.797 0.971 1
1 82 . 20 1 1 A 9 9 GLN CB C 9 28.755 28.871 -0.116 1
1 84 . 20 1 1 A 9 9 GLN N N 9 133.013 127.262 5.751 1
1 86 . 20 1 1 A 10 10 ARG H H 10 10.074 7.631 2.443 1
1 87 . 20 1 1 A 10 10 ARG HA H 10 4.152 3.959 0.193 1
1 93 . 20 1 1 A 10 10 ARG CA C 10 55.345 57.048 -1.703 1
1 94 . 20 1 1 A 10 10 ARG CB C 10 27.843 28.898 -1.055 1
1 97 . 20 1 1 A 10 10 ARG N N 10 122.014 119.274 2.740 1
1 98 . 20 1 1 A 11 11 PRO HA H 11 4.278 4.647 -0.369 1
1 104 . 20 1 1 A 11 11 PRO C C 11 177.028 175.528 1.500 1
1 105 . 20 1 1 A 11 11 PRO CA C 11 62.703 62.418 0.285 1
1 106 . 20 1 1 A 11 11 PRO CB C 11 31.618 32.327 -0.709 1
1 109 . 20 1 1 A 12 12 CYS H H 12 8.488 8.602 -0.114 1
1 110 . 20 1 1 A 12 12 CYS HA H 12 4.519 5.193 -0.674 1
1 113 . 20 1 1 A 12 12 CYS C C 12 174.690 173.307 1.383 1
1 114 . 20 1 1 A 12 12 CYS CA C 12 58.146 57.942 0.204 1
1 115 . 20 1 1 A 12 12 CYS CB C 12 28.174 30.264 -2.090 1
1 116 . 20 1 1 A 12 12 CYS N N 12 118.868 120.759 -1.891 1
1 117 . 20 1 1 A 13 13 LYS H H 13 7.827 8.597 -0.770 1
1 118 . 20 1 1 A 13 13 LYS HA H 13 4.231 4.839 -0.608 1
1 124 . 20 1 1 A 13 13 LYS C C 13 175.756 176.409 -0.653 1
1 125 . 20 1 1 A 13 13 LYS CA C 13 56.836 54.654 2.182 1
1 126 . 20 1 1 A 13 13 LYS CB C 13 33.502 36.427 -2.925 1
1 130 . 20 1 1 A 13 13 LYS N N 13 122.032 126.862 -4.830 1
1 131 . 20 1 1 A 14 14 ASP H H 14 8.348 8.478 -0.130 1
1 132 . 20 1 1 A 14 14 ASP HA H 14 4.429 4.481 -0.052 1
1 135 . 20 1 1 A 14 14 ASP C C 14 176.011 176.312 -0.301 1
1 136 . 20 1 1 A 14 14 ASP CA C 14 55.877 56.067 -0.190 1
1 137 . 20 1 1 A 14 14 ASP CB C 14 40.879 40.510 0.369 1
1 138 . 20 1 1 A 14 14 ASP N N 14 119.433 121.884 -2.451 1
1 139 . 20 1 1 A 15 15 LYS H H 15 7.898 7.996 -0.098 1
1 140 . 20 1 1 A 15 15 LYS HA H 15 4.448 4.544 -0.096 1
1 146 . 20 1 1 A 15 15 LYS C C 15 175.094 174.897 0.197 1
1 147 . 20 1 1 A 15 15 LYS CA C 15 55.647 55.314 0.333 1
1 148 . 20 1 1 A 15 15 LYS CB C 15 32.563 32.220 0.343 1
1 151 . 20 1 1 A 15 15 LYS N N 15 119.751 117.940 1.811 1
1 152 . 20 1 1 A 16 16 VAL H H 16 7.977 7.792 0.185 1
1 153 . 20 1 1 A 16 16 VAL HA H 16 3.990 4.703 -0.713 1
1 161 . 20 1 1 A 16 16 VAL C C 16 173.871 174.568 -0.697 1
1 162 . 20 1 1 A 16 16 VAL CA C 16 61.261 60.705 0.556 1
1 163 . 20 1 1 A 16 16 VAL CB C 16 33.377 33.467 -0.090 1
1 166 . 20 1 1 A 16 16 VAL N N 16 122.186 121.134 1.052 1
1 167 . 20 1 1 A 17 17 ASP H H 17 7.749 8.851 -1.102 1
1 168 . 20 1 1 A 17 17 ASP HA H 17 5.082 4.899 0.183 1
1 171 . 20 1 1 A 17 17 ASP C C 17 176.746 176.430 0.316 1
1 172 . 20 1 1 A 17 17 ASP CA C 17 54.120 54.964 -0.844 1
1 173 . 20 1 1 A 17 17 ASP CB C 17 42.721 41.295 1.426 1
1 174 . 20 1 1 A 17 17 ASP N N 17 122.699 129.546 -6.847 1
1 175 . 20 1 1 A 18 18 TRP H H 18 9.513 9.324 0.189 1
1 176 . 20 1 1 A 18 18 TRP HA H 18 5.604 5.470 0.134 1
1 185 . 20 1 1 A 18 18 TRP C C 18 176.365 175.351 1.014 1
1 186 . 20 1 1 A 18 18 TRP CA C 18 57.700 55.990 1.710 1
1 187 . 20 1 1 A 18 18 TRP CB C 18 34.107 32.244 1.863 1
1 193 . 20 1 1 A 18 18 TRP N N 18 123.857 122.526 1.331 1
1 195 . 20 1 1 A 19 19 VAL H H 19 10.238 9.086 1.152 1
1 196 . 20 1 1 A 19 19 VAL HA H 19 4.670 4.892 -0.222 1
1 204 . 20 1 1 A 19 19 VAL CA C 19 61.089 59.322 1.767 1
1 205 . 20 1 1 A 19 19 VAL CB C 19 35.518 34.856 0.662 1
1 208 . 20 1 1 A 19 19 VAL N N 19 121.049 116.194 4.855 1
1 209 . 20 1 1 A 20 20 GLN H H 20 8.584 8.683 -0.099 1
1 210 . 20 1 1 A 20 20 GLN HA H 20 4.635 5.355 -0.720 1
1 217 . 20 1 1 A 20 20 GLN C C 20 175.662 174.726 0.936 1
1 218 . 20 1 1 A 20 20 GLN CA C 20 53.063 53.619 -0.556 1
1 219 . 20 1 1 A 20 20 GLN CB C 20 29.098 31.501 -2.403 1
1 221 . 20 1 1 A 20 20 GLN N N 20 130.340 122.528 7.812 1
1 223 . 20 1 1 A 21 21 CYS H H 21 8.740 8.785 -0.045 1
1 224 . 20 1 1 A 21 21 CYS HA H 21 4.588 5.323 -0.735 1
1 227 . 20 1 1 A 21 21 CYS CA C 21 60.617 58.181 2.436 1
1 228 . 20 1 1 A 21 21 CYS CB C 21 31.913 28.808 3.105 1
1 229 . 20 1 1 A 21 21 CYS N N 21 126.319 124.265 2.054 1
1 230 . 20 1 1 A 22 22 ASP H H 22 9.742 8.773 0.969 1
1 231 . 20 1 1 A 22 22 ASP HA H 22 5.079 4.588 0.491 1
1 234 . 20 1 1 A 22 22 ASP C C 22 178.015 176.828 1.187 1
1 235 . 20 1 1 A 22 22 ASP CA C 22 55.185 53.158 2.027 1
1 236 . 20 1 1 A 22 22 ASP CB C 22 42.664 39.991 2.673 1
1 237 . 20 1 1 A 22 22 ASP N N 22 130.603 123.153 7.450 1
1 238 . 20 1 1 A 23 23 GLY H H 23 10.762 8.079 2.683 1
1 239 . 20 1 1 A 23 23 GLY HA2 H 23 4.156 3.896 0.260 1
1 240 . 20 1 1 A 23 23 GLY HA3 H 23 3.536 3.912 -0.376 1
1 241 . 20 1 1 A 23 23 GLY C C 23 173.898 174.492 -0.594 1
1 242 . 20 1 1 A 23 23 GLY CA C 23 45.351 45.385 -0.034 1
1 243 . 20 1 1 A 23 23 GLY N N 23 116.158 109.004 7.154 1
1 244 . 20 1 1 A 24 24 GLY H H 24 8.904 7.784 1.120 1
1 245 . 20 1 1 A 24 24 GLY HA2 H 24 3.499 4.032 -0.533 1
1 246 . 20 1 1 A 24 24 GLY HA3 H 24 4.740 4.032 0.708 1
1 247 . 20 1 1 A 24 24 GLY C C 24 175.291 175.590 -0.299 1
1 248 . 20 1 1 A 24 24 GLY CA C 24 45.209 45.415 -0.206 1
1 249 . 20 1 1 A 24 24 GLY N N 24 109.769 106.659 3.110 1
1 250 . 20 1 1 A 25 25 CYS H H 25 7.639 8.104 -0.465 1
1 251 . 20 1 1 A 25 25 CYS HA H 25 4.465 4.560 -0.095 1
1 254 . 20 1 1 A 25 25 CYS C C 25 175.738 174.155 1.583 1
1 255 . 20 1 1 A 25 25 CYS CA C 25 60.097 60.319 -0.222 1
1 256 . 20 1 1 A 25 25 CYS CB C 25 30.248 28.736 1.512 1
1 257 . 20 1 1 A 25 25 CYS N N 25 119.776 119.788 -0.012 1
1 258 . 20 1 1 A 26 26 ASP H H 26 8.209 7.965 0.244 1
1 259 . 20 1 1 A 26 26 ASP HA H 26 4.283 4.169 0.114 1
1 261 . 20 1 1 A 26 26 ASP C C 26 175.280 174.921 0.359 1
1 262 . 20 1 1 A 26 26 ASP CA C 26 56.107 55.472 0.635 1
1 263 . 20 1 1 A 26 26 ASP CB C 26 39.958 39.537 0.421 1
1 264 . 20 1 1 A 26 26 ASP N N 26 117.501 117.537 -0.036 1
1 265 . 20 1 1 A 27 27 GLU H H 27 9.023 8.069 0.954 1
1 266 . 20 1 1 A 27 27 GLU HA H 27 4.372 4.514 -0.142 1
1 271 . 20 1 1 A 27 27 GLU C C 27 174.686 175.295 -0.609 1
1 272 . 20 1 1 A 27 27 GLU CA C 27 58.185 55.633 2.552 1
1 273 . 20 1 1 A 27 27 GLU CB C 27 30.552 31.136 -0.584 1
1 275 . 20 1 1 A 27 27 GLU N N 27 123.133 117.621 5.512 1
1 276 . 20 1 1 A 28 28 TRP H H 28 8.452 8.913 -0.461 1
1 277 . 20 1 1 A 28 28 TRP HA H 28 4.967 5.885 -0.918 1
1 286 . 20 1 1 A 28 28 TRP C C 28 175.501 175.468 0.033 1
1 287 . 20 1 1 A 28 28 TRP CA C 28 57.211 54.771 2.440 1
1 288 . 20 1 1 A 28 28 TRP CB C 28 31.524 32.685 -1.161 1
1 294 . 20 1 1 A 28 28 TRP N N 28 118.126 120.077 -1.951 1
1 296 . 20 1 1 A 29 29 PHE H H 29 9.699 9.912 -0.213 1
1 297 . 20 1 1 A 29 29 PHE HA H 29 4.994 5.187 -0.193 1
1 303 . 20 1 1 A 29 29 PHE C C 29 176.176 175.126 1.050 1
1 304 . 20 1 1 A 29 29 PHE CA C 29 56.712 56.476 0.236 1
1 305 . 20 1 1 A 29 29 PHE CB C 29 43.056 43.028 0.028 1
1 309 . 20 1 1 A 29 29 PHE N N 29 119.283 122.217 -2.934 1
1 310 . 20 1 1 A 30 30 HIS H H 30 9.676 8.288 1.388 1
1 311 . 20 1 1 A 30 30 HIS HA H 30 4.400 4.536 -0.136 1
1 316 . 20 1 1 A 30 30 HIS C C 30 177.509 176.074 1.435 1
1 317 . 20 1 1 A 30 30 HIS CA C 30 56.723 54.937 1.786 1
1 318 . 20 1 1 A 30 30 HIS CB C 30 29.686 31.012 -1.326 1
1 320 . 20 1 1 A 30 30 HIS N N 30 124.436 119.078 5.358 1
1 321 . 20 1 1 A 31 31 GLN H H 31 8.537 8.843 -0.306 1
1 322 . 20 1 1 A 31 31 GLN HA H 31 3.486 3.817 -0.331 1
1 329 . 20 1 1 A 31 31 GLN C C 31 179.005 178.340 0.665 1
1 330 . 20 1 1 A 31 31 GLN CA C 31 60.606 59.201 1.405 1
1 331 . 20 1 1 A 31 31 GLN CB C 31 26.624 28.273 -1.649 1
1 333 . 20 1 1 A 31 31 GLN N N 31 124.297 122.979 1.318 1
1 335 . 20 1 1 A 32 32 VAL H H 32 8.688 8.005 0.683 1
1 336 . 20 1 1 A 32 32 VAL HA H 32 4.060 3.818 0.242 1
1 344 . 20 1 1 A 32 32 VAL C C 32 178.001 177.651 0.350 1
1 345 . 20 1 1 A 32 32 VAL CA C 32 64.333 64.557 -0.224 1
1 346 . 20 1 1 A 32 32 VAL CB C 32 31.703 31.508 0.195 1
1 349 . 20 1 1 A 32 32 VAL N N 32 113.575 119.036 -5.461 1
1 350 . 20 1 1 A 33 33 CYS H H 33 6.893 8.287 -1.394 1
1 351 . 20 1 1 A 33 33 CYS HA H 33 4.151 4.169 -0.018 1
1 354 . 20 1 1 A 33 33 CYS C C 33 177.137 175.532 1.605 1
1 355 . 20 1 1 A 33 33 CYS CA C 33 62.650 61.522 1.128 1
1 356 . 20 1 1 A 33 33 CYS CB C 33 29.399 27.038 2.361 1
1 357 . 20 1 1 A 33 33 CYS N N 33 120.368 119.565 0.803 1
1 358 . 20 1 1 A 34 34 VAL H H 34 7.137 7.839 -0.702 1
1 359 . 20 1 1 A 34 34 VAL HA H 34 4.564 4.357 0.207 1
1 367 . 20 1 1 A 34 34 VAL C C 34 175.969 175.989 -0.020 1
1 368 . 20 1 1 A 34 34 VAL CA C 34 60.138 62.536 -2.398 1
1 369 . 20 1 1 A 34 34 VAL CB C 34 31.887 31.945 -0.058 1
1 372 . 20 1 1 A 34 34 VAL N N 34 106.615 118.843 -12.228 1
1 373 . 20 1 1 A 35 35 GLY H H 35 7.506 7.559 -0.053 1
1 374 . 20 1 1 A 35 35 GLY HA2 H 35 3.864 3.929 -0.065 1
1 375 . 20 1 1 A 35 35 GLY HA3 H 35 3.940 3.938 0.002 1
1 376 . 20 1 1 A 35 35 GLY C C 35 174.670 174.363 0.307 1
1 377 . 20 1 1 A 35 35 GLY CA C 35 47.029 46.956 0.073 1
1 378 . 20 1 1 A 35 35 GLY N N 35 110.034 111.552 -1.518 1
1 379 . 20 1 1 A 36 36 VAL H H 36 7.621 8.135 -0.514 1
1 380 . 20 1 1 A 36 36 VAL HA H 36 4.300 4.647 -0.347 1
1 388 . 20 1 1 A 36 36 VAL C C 36 174.260 175.060 -0.800 1
1 389 . 20 1 1 A 36 36 VAL CA C 36 61.084 60.290 0.794 1
1 390 . 20 1 1 A 36 36 VAL CB C 36 34.059 35.023 -0.964 1
1 393 . 20 1 1 A 36 36 VAL N N 36 119.403 119.836 -0.433 1
1 394 . 20 1 1 A 37 37 SER H H 37 8.007 8.734 -0.727 1
1 395 . 20 1 1 A 37 37 SER HA H 37 4.861 5.040 -0.179 1
1 398 . 20 1 1 A 37 37 SER CA C 37 55.564 55.734 -0.170 1
1 399 . 20 1 1 A 37 37 SER CB C 37 63.789 64.096 -0.307 1
1 400 . 20 1 1 A 37 37 SER N N 37 122.814 118.848 3.966 1
1 401 . 20 1 1 A 38 38 PRO HA H 38 4.337 4.803 -0.466 1
1 407 . 20 1 1 A 38 38 PRO C C 38 179.162 178.389 0.773 1
1 408 . 20 1 1 A 38 38 PRO CA C 38 65.551 65.226 0.325 1
1 409 . 20 1 1 A 38 38 PRO CB C 38 31.882 32.008 -0.126 1
1 412 . 20 1 1 A 39 39 GLU H H 39 8.520 8.484 0.036 1
1 413 . 20 1 1 A 39 39 GLU HA H 39 4.126 4.112 0.014 1
1 418 . 20 1 1 A 39 39 GLU C C 39 178.588 178.975 -0.387 1
1 419 . 20 1 1 A 39 39 GLU CA C 39 59.321 59.231 0.090 1
1 420 . 20 1 1 A 39 39 GLU CB C 39 29.016 29.114 -0.098 1
1 422 . 20 1 1 A 39 39 GLU N N 39 116.621 117.251 -0.630 1
1 423 . 20 1 1 A 40 40 MET H H 40 7.707 7.968 -0.261 1
1 424 . 20 1 1 A 40 40 MET HA H 40 4.169 4.447 -0.278 1
1 431 . 20 1 1 A 40 40 MET C C 40 177.937 177.982 -0.045 1
1 432 . 20 1 1 A 40 40 MET CA C 40 58.076 57.234 0.842 1
1 433 . 20 1 1 A 40 40 MET CB C 40 33.752 32.052 1.700 1
1 436 . 20 1 1 A 40 40 MET N N 40 120.129 120.225 -0.096 1
1 437 . 20 1 1 A 41 41 ALA H H 41 8.214 7.975 0.239 1
1 438 . 20 1 1 A 41 41 ALA HA H 41 4.148 3.975 0.173 1
1 442 . 20 1 1 A 41 41 ALA C C 41 179.237 179.078 0.159 1
1 443 . 20 1 1 A 41 41 ALA CA C 41 54.188 55.546 -1.358 1
1 444 . 20 1 1 A 41 41 ALA CB C 41 18.596 18.729 -0.133 1
1 445 . 20 1 1 A 41 41 ALA N N 41 121.551 121.592 -0.041 1
1 446 . 20 1 1 A 42 42 GLU H H 42 7.823 7.685 0.138 1
1 447 . 20 1 1 A 42 42 GLU HA H 42 4.377 4.200 0.177 1
1 450 . 20 1 1 A 42 42 GLU C C 42 177.669 177.257 0.412 1
1 451 . 20 1 1 A 42 42 GLU CA C 42 57.775 57.800 -0.025 1
1 452 . 20 1 1 A 42 42 GLU CB C 42 30.495 30.059 0.436 1
1 454 . 20 1 1 A 42 42 GLU N N 42 115.185 117.322 -2.137 1
1 455 . 20 1 1 A 43 43 ASN H H 43 7.817 7.441 0.376 1
1 456 . 20 1 1 A 43 43 ASN HA H 43 4.845 4.841 0.004 1
1 461 . 20 1 1 A 43 43 ASN C C 43 174.634 175.302 -0.668 1
1 462 . 20 1 1 A 43 43 ASN CA C 43 54.343 54.125 0.218 1
1 463 . 20 1 1 A 43 43 ASN CB C 43 40.910 41.238 -0.328 1
1 464 . 20 1 1 A 43 43 ASN N N 43 115.082 115.915 -0.833 1
1 466 . 20 1 1 A 44 44 GLU H H 44 8.140 8.242 -0.102 1
1 467 . 20 1 1 A 44 44 GLU HA H 44 4.572 4.762 -0.190 1
1 471 . 20 1 1 A 44 44 GLU C C 44 172.191 175.566 -3.375 1
1 472 . 20 1 1 A 44 44 GLU CA C 44 55.221 54.737 0.484 1
1 473 . 20 1 1 A 44 44 GLU CB C 44 32.235 33.795 -1.560 1
1 475 . 20 1 1 A 44 44 GLU N N 44 119.186 117.130 2.056 1
1 476 . 20 1 1 A 45 45 ASP H H 45 8.392 8.433 -0.041 1
1 477 . 20 1 1 A 45 45 ASP HA H 45 5.044 4.680 0.364 1
1 480 . 20 1 1 A 45 45 ASP CA C 45 53.829 54.302 -0.473 1
1 481 . 20 1 1 A 45 45 ASP CB C 45 41.271 40.958 0.313 1
1 482 . 20 1 1 A 45 45 ASP N N 45 121.008 121.872 -0.864 1
1 483 . 20 1 1 A 46 46 TYR H H 46 9.307 8.936 0.371 1
1 484 . 20 1 1 A 46 46 TYR HA H 46 4.508 4.674 -0.166 1
1 489 . 20 1 1 A 46 46 TYR C C 46 172.490 174.152 -1.662 1
1 490 . 20 1 1 A 46 46 TYR CA C 46 58.416 56.741 1.675 1
1 491 . 20 1 1 A 46 46 TYR CB C 46 39.842 38.733 1.109 1
1 494 . 20 1 1 A 46 46 TYR N N 46 124.739 125.163 -0.424 1
1 495 . 20 1 1 A 47 47 ILE H H 47 7.204 8.659 -1.455 1
1 496 . 20 1 1 A 47 47 ILE HA H 47 4.464 4.493 -0.029 1
1 506 . 20 1 1 A 47 47 ILE C C 47 174.754 175.159 -0.405 1
1 507 . 20 1 1 A 47 47 ILE CA C 47 58.308 59.596 -1.288 1
1 508 . 20 1 1 A 47 47 ILE CB C 47 37.997 39.569 -1.572 1
1 512 . 20 1 1 A 47 47 ILE N N 47 128.235 128.212 0.023 1
1 513 . 20 1 1 A 48 48 CYS H H 48 9.441 8.119 1.322 1
1 514 . 20 1 1 A 48 48 CYS HA H 48 4.132 4.428 -0.296 1
1 517 . 20 1 1 A 48 48 CYS C C 48 175.259 175.363 -0.104 1
1 518 . 20 1 1 A 48 48 CYS CA C 48 58.247 56.055 2.192 1
1 519 . 20 1 1 A 48 48 CYS CB C 48 32.230 29.318 2.912 1
1 520 . 20 1 1 A 48 48 CYS N N 48 131.299 122.747 8.552 1
1 521 . 20 1 1 A 49 49 ILE H H 49 7.753 8.622 -0.869 1
1 522 . 20 1 1 A 49 49 ILE HA H 49 3.968 3.850 0.118 1
1 532 . 20 1 1 A 49 49 ILE C C 49 177.248 177.791 -0.543 1
1 533 . 20 1 1 A 49 49 ILE CA C 49 63.078 64.208 -1.130 1
1 534 . 20 1 1 A 49 49 ILE CB C 49 38.535 37.739 0.796 1
1 538 . 20 1 1 A 49 49 ILE N N 49 113.316 121.581 -8.265 1
1 539 . 20 1 1 A 50 50 ASN H H 50 8.884 7.791 1.093 1
1 540 . 20 1 1 A 50 50 ASN HA H 50 4.729 4.564 0.165 1
1 545 . 20 1 1 A 50 50 ASN C C 50 176.793 177.833 -1.040 1
1 546 . 20 1 1 A 50 50 ASN CA C 50 55.405 55.610 -0.205 1
1 547 . 20 1 1 A 50 50 ASN CB C 50 39.719 38.426 1.293 1
1 548 . 20 1 1 A 50 50 ASN N N 50 121.756 119.723 2.033 1
1 550 . 20 1 1 A 51 51 CYS H H 51 8.179 7.895 0.284 1
1 551 . 20 1 1 A 51 51 CYS HA H 51 4.121 4.219 -0.098 1
1 554 . 20 1 1 A 51 51 CYS C C 51 174.880 176.111 -1.231 1
1 555 . 20 1 1 A 51 51 CYS CA C 51 61.889 63.160 -1.271 1
1 556 . 20 1 1 A 51 51 CYS CB C 51 31.444 26.948 4.496 1
1 557 . 20 1 1 A 51 51 CYS N N 51 123.907 118.479 5.428 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 45 0.880 1
2 1 1 1 "RMS(OBS, PRED)" CA 50 1.203 1
3 1 1 1 "RMS(OBS, PRED)" CB 47 1.507 1
4 1 1 1 "RMS(OBS, PRED)" H 48 0.895 1
5 1 1 1 "RMS(OBS, PRED)" HA 53 0.334 1
6 1 1 1 "RMS(OBS, PRED)" N 47 4.250 1
7 1 2 1 "RMS(OBS, PRED)" C 45 1.027 1
8 1 2 1 "RMS(OBS, PRED)" CA 50 1.208 1
9 1 2 1 "RMS(OBS, PRED)" CB 47 1.587 1
10 1 2 1 "RMS(OBS, PRED)" H 48 0.900 1
11 1 2 1 "RMS(OBS, PRED)" HA 53 0.332 1
12 1 2 1 "RMS(OBS, PRED)" N 47 4.130 1
13 1 3 1 "RMS(OBS, PRED)" C 45 0.949 1
14 1 3 1 "RMS(OBS, PRED)" CA 50 1.154 1
15 1 3 1 "RMS(OBS, PRED)" CB 47 1.528 1
16 1 3 1 "RMS(OBS, PRED)" H 48 0.926 1
17 1 3 1 "RMS(OBS, PRED)" HA 53 0.319 1
18 1 3 1 "RMS(OBS, PRED)" N 47 4.155 1
19 1 4 1 "RMS(OBS, PRED)" C 45 0.839 1
20 1 4 1 "RMS(OBS, PRED)" CA 50 1.175 1
21 1 4 1 "RMS(OBS, PRED)" CB 47 1.593 1
22 1 4 1 "RMS(OBS, PRED)" H 48 0.951 1
23 1 4 1 "RMS(OBS, PRED)" HA 53 0.325 1
24 1 4 1 "RMS(OBS, PRED)" N 47 4.188 1
25 1 5 1 "RMS(OBS, PRED)" C 45 0.937 1
26 1 5 1 "RMS(OBS, PRED)" CA 50 1.172 1
27 1 5 1 "RMS(OBS, PRED)" CB 47 1.571 1
28 1 5 1 "RMS(OBS, PRED)" H 48 0.914 1
29 1 5 1 "RMS(OBS, PRED)" HA 53 0.328 1
30 1 5 1 "RMS(OBS, PRED)" N 47 4.321 1
31 1 6 1 "RMS(OBS, PRED)" C 45 1.080 1
32 1 6 1 "RMS(OBS, PRED)" CA 50 1.190 1
33 1 6 1 "RMS(OBS, PRED)" CB 47 1.593 1
34 1 6 1 "RMS(OBS, PRED)" H 48 0.909 1
35 1 6 1 "RMS(OBS, PRED)" HA 53 0.343 1
36 1 6 1 "RMS(OBS, PRED)" N 47 4.254 1
37 1 7 1 "RMS(OBS, PRED)" C 45 0.840 1
38 1 7 1 "RMS(OBS, PRED)" CA 50 1.149 1
39 1 7 1 "RMS(OBS, PRED)" CB 47 1.506 1
40 1 7 1 "RMS(OBS, PRED)" H 48 0.878 1
41 1 7 1 "RMS(OBS, PRED)" HA 53 0.330 1
42 1 7 1 "RMS(OBS, PRED)" N 47 4.173 1
43 1 8 1 "RMS(OBS, PRED)" C 45 0.928 1
44 1 8 1 "RMS(OBS, PRED)" CA 50 1.167 1
45 1 8 1 "RMS(OBS, PRED)" CB 47 1.630 1
46 1 8 1 "RMS(OBS, PRED)" H 48 0.917 1
47 1 8 1 "RMS(OBS, PRED)" HA 53 0.352 1
48 1 8 1 "RMS(OBS, PRED)" N 47 4.096 1
49 1 9 1 "RMS(OBS, PRED)" C 45 0.991 1
50 1 9 1 "RMS(OBS, PRED)" CA 50 1.143 1
51 1 9 1 "RMS(OBS, PRED)" CB 47 1.556 1
52 1 9 1 "RMS(OBS, PRED)" H 48 0.887 1
53 1 9 1 "RMS(OBS, PRED)" HA 53 0.325 1
54 1 9 1 "RMS(OBS, PRED)" N 47 4.153 1
55 1 10 1 "RMS(OBS, PRED)" C 45 1.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 50 1.180 1
57 1 10 1 "RMS(OBS, PRED)" CB 47 1.530 1
58 1 10 1 "RMS(OBS, PRED)" H 48 0.894 1
59 1 10 1 "RMS(OBS, PRED)" HA 53 0.345 1
60 1 10 1 "RMS(OBS, PRED)" N 47 4.016 1
61 1 11 1 "RMS(OBS, PRED)" C 45 1.036 1
62 1 11 1 "RMS(OBS, PRED)" CA 50 1.211 1
63 1 11 1 "RMS(OBS, PRED)" CB 47 1.610 1
64 1 11 1 "RMS(OBS, PRED)" H 48 0.951 1
65 1 11 1 "RMS(OBS, PRED)" HA 53 0.334 1
66 1 11 1 "RMS(OBS, PRED)" N 47 4.092 1
67 1 12 1 "RMS(OBS, PRED)" C 45 1.023 1
68 1 12 1 "RMS(OBS, PRED)" CA 50 1.184 1
69 1 12 1 "RMS(OBS, PRED)" CB 47 1.542 1
70 1 12 1 "RMS(OBS, PRED)" H 48 0.916 1
71 1 12 1 "RMS(OBS, PRED)" HA 53 0.336 1
72 1 12 1 "RMS(OBS, PRED)" N 47 4.017 1
73 1 13 1 "RMS(OBS, PRED)" C 45 0.977 1
74 1 13 1 "RMS(OBS, PRED)" CA 50 1.179 1
75 1 13 1 "RMS(OBS, PRED)" CB 47 1.641 1
76 1 13 1 "RMS(OBS, PRED)" H 48 0.936 1
77 1 13 1 "RMS(OBS, PRED)" HA 53 0.337 1
78 1 13 1 "RMS(OBS, PRED)" N 47 4.228 1
79 1 14 1 "RMS(OBS, PRED)" C 45 0.994 1
80 1 14 1 "RMS(OBS, PRED)" CA 50 1.130 1
81 1 14 1 "RMS(OBS, PRED)" CB 47 1.518 1
82 1 14 1 "RMS(OBS, PRED)" H 48 0.950 1
83 1 14 1 "RMS(OBS, PRED)" HA 53 0.323 1
84 1 14 1 "RMS(OBS, PRED)" N 47 4.199 1
85 1 15 1 "RMS(OBS, PRED)" C 45 1.105 1
86 1 15 1 "RMS(OBS, PRED)" CA 50 1.250 1
87 1 15 1 "RMS(OBS, PRED)" CB 47 1.733 1
88 1 15 1 "RMS(OBS, PRED)" H 48 0.892 1
89 1 15 1 "RMS(OBS, PRED)" HA 53 0.365 1
90 1 15 1 "RMS(OBS, PRED)" N 47 4.276 1
91 1 16 1 "RMS(OBS, PRED)" C 45 0.921 1
92 1 16 1 "RMS(OBS, PRED)" CA 50 1.219 1
93 1 16 1 "RMS(OBS, PRED)" CB 47 1.659 1
94 1 16 1 "RMS(OBS, PRED)" H 48 0.901 1
95 1 16 1 "RMS(OBS, PRED)" HA 53 0.327 1
96 1 16 1 "RMS(OBS, PRED)" N 47 4.154 1
97 1 17 1 "RMS(OBS, PRED)" C 45 0.995 1
98 1 17 1 "RMS(OBS, PRED)" CA 50 1.207 1
99 1 17 1 "RMS(OBS, PRED)" CB 47 1.574 1
100 1 17 1 "RMS(OBS, PRED)" H 48 0.902 1
101 1 17 1 "RMS(OBS, PRED)" HA 53 0.321 1
102 1 17 1 "RMS(OBS, PRED)" N 47 4.215 1
103 1 18 1 "RMS(OBS, PRED)" C 45 1.052 1
104 1 18 1 "RMS(OBS, PRED)" CA 50 1.223 1
105 1 18 1 "RMS(OBS, PRED)" CB 47 1.671 1
106 1 18 1 "RMS(OBS, PRED)" H 48 0.860 1
107 1 18 1 "RMS(OBS, PRED)" HA 53 0.287 1
108 1 18 1 "RMS(OBS, PRED)" N 47 4.175 1
109 1 19 1 "RMS(OBS, PRED)" C 45 0.880 1
110 1 19 1 "RMS(OBS, PRED)" CA 50 1.232 1
111 1 19 1 "RMS(OBS, PRED)" CB 47 1.560 1
112 1 19 1 "RMS(OBS, PRED)" H 48 0.894 1
113 1 19 1 "RMS(OBS, PRED)" HA 53 0.314 1
114 1 19 1 "RMS(OBS, PRED)" N 47 4.149 1
115 1 20 1 "RMS(OBS, PRED)" C 45 0.962 1
116 1 20 1 "RMS(OBS, PRED)" CA 50 1.256 1
117 1 20 1 "RMS(OBS, PRED)" CB 47 1.636 1
118 1 20 1 "RMS(OBS, PRED)" H 48 0.874 1
119 1 20 1 "RMS(OBS, PRED)" HA 53 0.352 1
120 1 20 1 "RMS(OBS, PRED)" N 47 4.228 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 VAL H H 2 8.398 8.357 0.041 2
1 2 . 1 1 A 2 2 VAL HA H 2 5.045 4.706 0.339 2
1 10 . 1 1 A 2 2 VAL C C 2 175.547 175.726 -0.179 2
1 11 . 1 1 A 2 2 VAL CA C 2 60.781 60.739 0.042 2
1 12 . 1 1 A 2 2 VAL CB C 2 34.251 34.798 -0.547 2
1 15 . 1 1 A 3 3 CYS H H 3 9.217 8.998 0.219 2
1 16 . 1 1 A 3 3 CYS HA H 3 5.017 4.918 0.099 2
1 19 . 1 1 A 3 3 CYS C C 3 174.515 174.486 0.029 2
1 20 . 1 1 A 3 3 CYS CA C 3 57.354 57.518 -0.164 2
1 21 . 1 1 A 3 3 CYS CB C 3 31.812 29.143 2.668 2
1 22 . 1 1 A 3 3 CYS N N 3 128.514 125.801 2.713 2
1 23 . 1 1 A 4 4 ALA H H 4 7.577 8.300 -0.723 2
1 24 . 1 1 A 4 4 ALA HA H 4 4.294 4.826 -0.532 2
1 28 . 1 1 A 4 4 ALA C C 4 177.618 176.403 1.215 2
1 29 . 1 1 A 4 4 ALA CA C 4 52.672 50.613 2.059 2
1 30 . 1 1 A 4 4 ALA CB C 4 18.970 20.153 -1.183 2
1 31 . 1 1 A 4 4 ALA N N 4 121.274 123.453 -2.179 2
1 32 . 1 1 A 5 5 ALA H H 5 9.064 8.340 0.724 2
1 33 . 1 1 A 5 5 ALA HA H 5 4.553 4.928 -0.375 2
1 37 . 1 1 A 5 5 ALA C C 5 177.906 177.317 0.589 2
1 38 . 1 1 A 5 5 ALA CA C 5 53.048 51.799 1.249 2
1 39 . 1 1 A 5 5 ALA CB C 5 19.508 22.232 -2.724 2
1 40 . 1 1 A 5 5 ALA N N 5 125.546 124.539 1.007 2
1 41 . 1 1 A 6 6 GLN H H 6 9.013 8.730 0.283 2
1 42 . 1 1 A 6 6 GLN HA H 6 4.099 4.124 -0.025 2
1 48 . 1 1 A 6 6 GLN C C 6 176.725 176.074 0.651 2
1 49 . 1 1 A 6 6 GLN CA C 6 58.528 58.955 -0.427 2
1 50 . 1 1 A 6 6 GLN CB C 6 28.394 28.823 -0.429 2
1 52 . 1 1 A 6 6 GLN N N 6 123.087 121.049 2.038 2
1 54 . 1 1 A 7 7 ASN H H 7 8.406 8.047 0.359 2
1 55 . 1 1 A 7 7 ASN HA H 7 4.883 5.088 -0.205 2
1 59 . 1 1 A 7 7 ASN C C 7 173.875 173.423 0.452 2
1 60 . 1 1 A 7 7 ASN CA C 7 51.765 52.318 -0.553 2
1 61 . 1 1 A 7 7 ASN CB C 7 37.899 40.016 -2.117 2
1 62 . 1 1 A 7 7 ASN N N 7 115.683 116.606 -0.923 2
1 64 . 1 1 A 8 8 CYS H H 8 7.743 8.868 -1.125 2
1 65 . 1 1 A 8 8 CYS HA H 8 4.975 4.819 0.156 2
1 68 . 1 1 A 8 8 CYS C C 8 177.334 176.115 1.219 2
1 69 . 1 1 A 8 8 CYS CA C 8 59.497 57.557 1.940 2
1 70 . 1 1 A 8 8 CYS CB C 8 29.111 29.711 -0.600 2
1 71 . 1 1 A 8 8 CYS N N 8 122.794 125.893 -3.099 2
1 72 . 1 1 A 9 9 GLN H H 9 9.862 8.775 1.087 2
1 73 . 1 1 A 9 9 GLN HA H 9 4.190 4.214 -0.024 2
1 80 . 1 1 A 9 9 GLN C C 9 175.014 175.052 -0.038 2
1 81 . 1 1 A 9 9 GLN CA C 9 56.768 55.709 1.059 2
1 82 . 1 1 A 9 9 GLN CB C 9 28.755 29.057 -0.302 2
1 84 . 1 1 A 9 9 GLN N N 9 133.013 126.818 6.195 2
1 86 . 1 1 A 10 10 ARG H H 10 10.074 7.622 2.452 2
1 87 . 1 1 A 10 10 ARG HA H 10 4.152 4.015 0.137 2
1 93 . 1 1 A 10 10 ARG CA C 10 55.345 56.362 -1.017 2
1 94 . 1 1 A 10 10 ARG CB C 10 27.843 28.577 -0.734 2
1 97 . 1 1 A 10 10 ARG N N 10 122.014 117.510 4.504 2
1 98 . 1 1 A 11 11 PRO HA H 11 4.278 4.571 -0.293 2
1 104 . 1 1 A 11 11 PRO C C 11 177.028 175.585 1.443 2
1 105 . 1 1 A 11 11 PRO CA C 11 62.703 62.471 0.232 2
1 106 . 1 1 A 11 11 PRO CB C 11 31.618 32.208 -0.590 2
1 109 . 1 1 A 12 12 CYS H H 12 8.488 8.564 -0.076 2
1 110 . 1 1 A 12 12 CYS HA H 12 4.519 5.136 -0.617 2
1 113 . 1 1 A 12 12 CYS C C 12 174.690 173.619 1.071 2
1 114 . 1 1 A 12 12 CYS CA C 12 58.146 57.887 0.259 2
1 115 . 1 1 A 12 12 CYS CB C 12 28.174 29.862 -1.688 2
1 116 . 1 1 A 12 12 CYS N N 12 118.868 121.028 -2.160 2
1 117 . 1 1 A 13 13 LYS H H 13 7.827 8.532 -0.705 2
1 118 . 1 1 A 13 13 LYS HA H 13 4.231 4.846 -0.615 2
1 124 . 1 1 A 13 13 LYS C C 13 175.756 176.424 -0.668 2
1 125 . 1 1 A 13 13 LYS CA C 13 56.836 54.658 2.178 2
1 126 . 1 1 A 13 13 LYS CB C 13 33.502 36.233 -2.731 2
1 130 . 1 1 A 13 13 LYS N N 13 122.032 126.158 -4.126 2
1 131 . 1 1 A 14 14 ASP H H 14 8.348 8.678 -0.330 2
1 132 . 1 1 A 14 14 ASP HA H 14 4.429 4.566 -0.137 2
1 135 . 1 1 A 14 14 ASP C C 14 176.011 176.763 -0.752 2
1 136 . 1 1 A 14 14 ASP CA C 14 55.877 56.139 -0.262 2
1 137 . 1 1 A 14 14 ASP CB C 14 40.879 41.141 -0.262 2
1 138 . 1 1 A 14 14 ASP N N 14 119.433 121.659 -2.225 2
1 139 . 1 1 A 15 15 LYS H H 15 7.898 7.814 0.084 2
1 140 . 1 1 A 15 15 LYS HA H 15 4.448 4.540 -0.092 2
1 146 . 1 1 A 15 15 LYS C C 15 175.094 175.596 -0.502 2
1 147 . 1 1 A 15 15 LYS CA C 15 55.647 55.700 -0.053 2
1 148 . 1 1 A 15 15 LYS CB C 15 32.563 32.562 0.001 2
1 151 . 1 1 A 15 15 LYS N N 15 119.751 118.025 1.726 2
1 152 . 1 1 A 16 16 VAL H H 16 7.977 7.955 0.022 2
1 153 . 1 1 A 16 16 VAL HA H 16 3.990 4.582 -0.592 2
1 161 . 1 1 A 16 16 VAL C C 16 173.871 174.328 -0.457 2
1 162 . 1 1 A 16 16 VAL CA C 16 61.261 60.823 0.438 2
1 163 . 1 1 A 16 16 VAL CB C 16 33.377 33.905 -0.528 2
1 166 . 1 1 A 16 16 VAL N N 16 122.186 122.540 -0.354 2
1 167 . 1 1 A 17 17 ASP H H 17 7.749 8.983 -1.234 2
1 168 . 1 1 A 17 17 ASP HA H 17 5.082 4.979 0.103 2
1 171 . 1 1 A 17 17 ASP C C 17 176.746 176.187 0.559 2
1 172 . 1 1 A 17 17 ASP CA C 17 54.120 54.751 -0.631 2
1 173 . 1 1 A 17 17 ASP CB C 17 42.721 41.533 1.188 2
1 174 . 1 1 A 17 17 ASP N N 17 122.699 129.141 -6.442 2
1 175 . 1 1 A 18 18 TRP H H 18 9.513 9.296 0.217 2
1 176 . 1 1 A 18 18 TRP HA H 18 5.604 5.482 0.122 2
1 185 . 1 1 A 18 18 TRP C C 18 176.365 175.120 1.245 2
1 186 . 1 1 A 18 18 TRP CA C 18 57.700 56.047 1.653 2
1 187 . 1 1 A 18 18 TRP CB C 18 34.107 32.731 1.376 2
1 193 . 1 1 A 18 18 TRP N N 18 123.857 123.031 0.826 2
1 195 . 1 1 A 19 19 VAL H H 19 10.238 9.066 1.172 2
1 196 . 1 1 A 19 19 VAL HA H 19 4.670 4.877 -0.207 2
1 204 . 1 1 A 19 19 VAL CA C 19 61.089 59.509 1.580 2
1 205 . 1 1 A 19 19 VAL CB C 19 35.518 34.844 0.674 2
1 208 . 1 1 A 19 19 VAL N N 19 121.049 116.353 4.696 2
1 209 . 1 1 A 20 20 GLN H H 20 8.584 8.766 -0.182 2
1 210 . 1 1 A 20 20 GLN HA H 20 4.635 5.210 -0.575 2
1 217 . 1 1 A 20 20 GLN C C 20 175.662 175.125 0.537 2
1 218 . 1 1 A 20 20 GLN CA C 20 53.063 53.751 -0.688 2
1 219 . 1 1 A 20 20 GLN CB C 20 29.098 30.802 -1.704 2
1 221 . 1 1 A 20 20 GLN N N 20 130.340 123.274 7.066 2
1 223 . 1 1 A 21 21 CYS H H 21 8.740 8.924 -0.184 2
1 224 . 1 1 A 21 21 CYS HA H 21 4.588 5.193 -0.605 2
1 227 . 1 1 A 21 21 CYS CA C 21 60.617 58.484 2.133 2
1 228 . 1 1 A 21 21 CYS CB C 21 31.913 28.223 3.690 2
1 229 . 1 1 A 21 21 CYS N N 21 126.319 124.012 2.307 2
1 230 . 1 1 A 22 22 ASP H H 22 9.742 8.648 1.094 2
1 231 . 1 1 A 22 22 ASP HA H 22 5.079 4.726 0.353 2
1 234 . 1 1 A 22 22 ASP C C 22 178.015 176.899 1.116 2
1 235 . 1 1 A 22 22 ASP CA C 22 55.185 54.384 0.801 2
1 236 . 1 1 A 22 22 ASP CB C 22 42.664 41.061 1.603 2
1 237 . 1 1 A 22 22 ASP N N 22 130.603 126.150 4.453 2
1 238 . 1 1 A 23 23 GLY H H 23 10.762 8.027 2.735 2
1 239 . 1 1 A 23 23 GLY HA2 H 23 4.156 3.886 0.270 2
1 240 . 1 1 A 23 23 GLY HA3 H 23 3.536 3.906 -0.370 2
1 241 . 1 1 A 23 23 GLY C C 23 173.898 174.466 -0.568 2
1 242 . 1 1 A 23 23 GLY CA C 23 45.351 45.391 -0.040 2
1 243 . 1 1 A 23 23 GLY N N 23 116.158 108.092 8.066 2
1 244 . 1 1 A 24 24 GLY H H 24 8.904 7.639 1.265 2
1 245 . 1 1 A 24 24 GLY HA2 H 24 3.499 4.023 -0.524 2
1 246 . 1 1 A 24 24 GLY HA3 H 24 4.740 4.024 0.716 2
1 247 . 1 1 A 24 24 GLY C C 24 175.291 175.736 -0.445 2
1 248 . 1 1 A 24 24 GLY CA C 24 45.209 45.364 -0.155 2
1 249 . 1 1 A 24 24 GLY N N 24 109.769 106.785 2.984 2
1 250 . 1 1 A 25 25 CYS H H 25 7.639 8.147 -0.508 2
1 251 . 1 1 A 25 25 CYS HA H 25 4.465 4.532 -0.067 2
1 254 . 1 1 A 25 25 CYS C C 25 175.738 174.252 1.486 2
1 255 . 1 1 A 25 25 CYS CA C 25 60.097 60.332 -0.235 2
1 256 . 1 1 A 25 25 CYS CB C 25 30.248 28.632 1.616 2
1 257 . 1 1 A 25 25 CYS N N 25 119.776 119.707 0.069 2
1 258 . 1 1 A 26 26 ASP H H 26 8.209 7.802 0.407 2
1 259 . 1 1 A 26 26 ASP HA H 26 4.283 4.226 0.057 2
1 261 . 1 1 A 26 26 ASP C C 26 175.280 174.981 0.299 2
1 262 . 1 1 A 26 26 ASP CA C 26 56.107 55.509 0.598 2
1 263 . 1 1 A 26 26 ASP CB C 26 39.958 39.622 0.336 2
1 264 . 1 1 A 26 26 ASP N N 26 117.501 117.983 -0.482 2
1 265 . 1 1 A 27 27 GLU H H 27 9.023 8.081 0.942 2
1 266 . 1 1 A 27 27 GLU HA H 27 4.372 4.647 -0.275 2
1 271 . 1 1 A 27 27 GLU C C 27 174.686 175.637 -0.951 2
1 272 . 1 1 A 27 27 GLU CA C 27 58.185 55.467 2.718 2
1 273 . 1 1 A 27 27 GLU CB C 27 30.552 30.826 -0.274 2
1 275 . 1 1 A 27 27 GLU N N 27 123.133 117.727 5.406 2
1 276 . 1 1 A 28 28 TRP H H 28 8.452 8.917 -0.465 2
1 277 . 1 1 A 28 28 TRP HA H 28 4.967 5.813 -0.846 2
1 286 . 1 1 A 28 28 TRP C C 28 175.501 175.680 -0.179 2
1 287 . 1 1 A 28 28 TRP CA C 28 57.211 55.233 1.978 2
1 288 . 1 1 A 28 28 TRP CB C 28 31.524 31.744 -0.220 2
1 294 . 1 1 A 28 28 TRP N N 28 118.126 120.646 -2.520 2
1 296 . 1 1 A 29 29 PHE H H 29 9.699 9.954 -0.255 2
1 297 . 1 1 A 29 29 PHE HA H 29 4.994 5.189 -0.195 2
1 303 . 1 1 A 29 29 PHE C C 29 176.176 175.192 0.984 2
1 304 . 1 1 A 29 29 PHE CA C 29 56.712 56.396 0.316 2
1 305 . 1 1 A 29 29 PHE CB C 29 43.056 42.877 0.179 2
1 309 . 1 1 A 29 29 PHE N N 29 119.283 122.052 -2.769 2
1 310 . 1 1 A 30 30 HIS H H 30 9.676 8.331 1.345 2
1 311 . 1 1 A 30 30 HIS HA H 30 4.400 4.516 -0.116 2
1 316 . 1 1 A 30 30 HIS C C 30 177.509 176.138 1.371 2
1 317 . 1 1 A 30 30 HIS CA C 30 56.723 55.205 1.518 2
1 318 . 1 1 A 30 30 HIS CB C 30 29.686 30.940 -1.254 2
1 320 . 1 1 A 30 30 HIS N N 30 124.436 119.368 5.068 2
1 321 . 1 1 A 31 31 GLN H H 31 8.537 8.907 -0.370 2
1 322 . 1 1 A 31 31 GLN HA H 31 3.486 3.779 -0.293 2
1 329 . 1 1 A 31 31 GLN C C 31 179.005 178.314 0.691 2
1 330 . 1 1 A 31 31 GLN CA C 31 60.606 59.313 1.293 2
1 331 . 1 1 A 31 31 GLN CB C 31 26.624 28.286 -1.662 2
1 333 . 1 1 A 31 31 GLN N N 31 124.297 122.909 1.387 2
1 335 . 1 1 A 32 32 VAL H H 32 8.688 8.045 0.643 2
1 336 . 1 1 A 32 32 VAL HA H 32 4.060 3.797 0.263 2
1 344 . 1 1 A 32 32 VAL C C 32 178.001 177.615 0.386 2
1 345 . 1 1 A 32 32 VAL CA C 32 64.333 64.580 -0.247 2
1 346 . 1 1 A 32 32 VAL CB C 32 31.703 31.397 0.306 2
1 349 . 1 1 A 32 32 VAL N N 32 113.575 119.177 -5.602 2
1 350 . 1 1 A 33 33 CYS H H 33 6.893 8.175 -1.282 2
1 351 . 1 1 A 33 33 CYS HA H 33 4.151 4.181 -0.029 2
1 354 . 1 1 A 33 33 CYS C C 33 177.137 175.562 1.575 2
1 355 . 1 1 A 33 33 CYS CA C 33 62.650 61.464 1.186 2
1 356 . 1 1 A 33 33 CYS CB C 33 29.399 27.200 2.199 2
1 357 . 1 1 A 33 33 CYS N N 33 120.368 119.536 0.832 2
1 358 . 1 1 A 34 34 VAL H H 34 7.137 7.772 -0.635 2
1 359 . 1 1 A 34 34 VAL HA H 34 4.564 4.354 0.210 2
1 367 . 1 1 A 34 34 VAL C C 34 175.969 175.991 -0.022 2
1 368 . 1 1 A 34 34 VAL CA C 34 60.138 62.367 -2.229 2
1 369 . 1 1 A 34 34 VAL CB C 34 31.887 31.917 -0.030 2
1 372 . 1 1 A 34 34 VAL N N 34 106.615 118.822 -12.207 2
1 373 . 1 1 A 35 35 GLY H H 35 7.506 7.728 -0.222 2
1 374 . 1 1 A 35 35 GLY HA2 H 35 3.864 3.934 -0.070 2
1 375 . 1 1 A 35 35 GLY HA3 H 35 3.940 3.946 -0.007 2
1 376 . 1 1 A 35 35 GLY C C 35 174.670 174.556 0.113 2
1 377 . 1 1 A 35 35 GLY CA C 35 47.029 46.839 0.190 2
1 378 . 1 1 A 35 35 GLY N N 35 110.034 111.410 -1.376 2
1 379 . 1 1 A 36 36 VAL H H 36 7.621 8.422 -0.801 2
1 380 . 1 1 A 36 36 VAL HA H 36 4.300 4.468 -0.168 2
1 388 . 1 1 A 36 36 VAL C C 36 174.260 175.473 -1.213 2
1 389 . 1 1 A 36 36 VAL CA C 36 61.084 60.984 0.100 2
1 390 . 1 1 A 36 36 VAL CB C 36 34.059 33.964 0.095 2
1 393 . 1 1 A 36 36 VAL N N 36 119.403 119.997 -0.594 2
1 394 . 1 1 A 37 37 SER H H 37 8.007 8.837 -0.830 2
1 395 . 1 1 A 37 37 SER HA H 37 4.861 5.030 -0.169 2
1 398 . 1 1 A 37 37 SER CA C 37 55.564 55.879 -0.315 2
1 399 . 1 1 A 37 37 SER CB C 37 63.789 63.942 -0.153 2
1 400 . 1 1 A 37 37 SER N N 37 122.814 119.553 3.261 2
1 401 . 1 1 A 38 38 PRO HA H 38 4.337 4.741 -0.404 2
1 407 . 1 1 A 38 38 PRO C C 38 179.162 178.253 0.909 2
1 408 . 1 1 A 38 38 PRO CA C 38 65.551 65.276 0.275 2
1 409 . 1 1 A 38 38 PRO CB C 38 31.882 31.938 -0.056 2
1 412 . 1 1 A 39 39 GLU H H 39 8.520 8.379 0.141 2
1 413 . 1 1 A 39 39 GLU HA H 39 4.126 4.124 0.002 2
1 418 . 1 1 A 39 39 GLU C C 39 178.588 178.940 -0.352 2
1 419 . 1 1 A 39 39 GLU CA C 39 59.321 59.376 -0.055 2
1 420 . 1 1 A 39 39 GLU CB C 39 29.016 29.042 -0.026 2
1 422 . 1 1 A 39 39 GLU N N 39 116.621 117.751 -1.130 2
1 423 . 1 1 A 40 40 MET H H 40 7.707 7.937 -0.230 2
1 424 . 1 1 A 40 40 MET HA H 40 4.169 4.382 -0.213 2
1 431 . 1 1 A 40 40 MET C C 40 177.937 177.975 -0.038 2
1 432 . 1 1 A 40 40 MET CA C 40 58.076 57.451 0.625 2
1 433 . 1 1 A 40 40 MET CB C 40 33.752 32.239 1.513 2
1 436 . 1 1 A 40 40 MET N N 40 120.129 119.839 0.290 2
1 437 . 1 1 A 41 41 ALA H H 41 8.214 7.930 0.284 2
1 438 . 1 1 A 41 41 ALA HA H 41 4.148 3.962 0.186 2
1 442 . 1 1 A 41 41 ALA C C 41 179.237 179.217 0.020 2
1 443 . 1 1 A 41 41 ALA CA C 41 54.188 55.498 -1.310 2
1 444 . 1 1 A 41 41 ALA CB C 41 18.596 18.509 0.087 2
1 445 . 1 1 A 41 41 ALA N N 41 121.551 121.540 0.011 2
1 446 . 1 1 A 42 42 GLU H H 42 7.823 7.889 -0.066 2
1 447 . 1 1 A 42 42 GLU HA H 42 4.377 4.233 0.144 2
1 450 . 1 1 A 42 42 GLU C C 42 177.669 177.592 0.077 2
1 451 . 1 1 A 42 42 GLU CA C 42 57.775 58.044 -0.270 2
1 452 . 1 1 A 42 42 GLU CB C 42 30.495 30.145 0.350 2
1 454 . 1 1 A 42 42 GLU N N 42 115.185 117.251 -2.066 2
1 455 . 1 1 A 43 43 ASN H H 43 7.817 7.735 0.082 2
1 456 . 1 1 A 43 43 ASN HA H 43 4.845 4.833 0.012 2
1 461 . 1 1 A 43 43 ASN C C 43 174.634 175.205 -0.571 2
1 462 . 1 1 A 43 43 ASN CA C 43 54.343 54.205 0.138 2
1 463 . 1 1 A 43 43 ASN CB C 43 40.910 40.889 0.021 2
1 464 . 1 1 A 43 43 ASN N N 43 115.082 116.120 -1.037 2
1 466 . 1 1 A 44 44 GLU H H 44 8.140 8.049 0.091 2
1 467 . 1 1 A 44 44 GLU HA H 44 4.572 4.783 -0.211 2
1 471 . 1 1 A 44 44 GLU C C 44 172.191 174.979 -2.788 2
1 472 . 1 1 A 44 44 GLU CA C 44 55.221 54.663 0.558 2
1 473 . 1 1 A 44 44 GLU CB C 44 32.235 33.919 -1.684 2
1 475 . 1 1 A 44 44 GLU N N 44 119.186 117.049 2.137 2
1 476 . 1 1 A 45 45 ASP H H 45 8.392 8.589 -0.197 2
1 477 . 1 1 A 45 45 ASP HA H 45 5.044 4.869 0.175 2
1 480 . 1 1 A 45 45 ASP CA C 45 53.829 53.815 0.014 2
1 481 . 1 1 A 45 45 ASP CB C 45 41.271 41.416 -0.145 2
1 482 . 1 1 A 45 45 ASP N N 45 121.008 121.721 -0.713 2
1 483 . 1 1 A 46 46 TYR H H 46 9.307 8.936 0.371 2
1 484 . 1 1 A 46 46 TYR HA H 46 4.508 4.646 -0.138 2
1 489 . 1 1 A 46 46 TYR C C 46 172.490 174.222 -1.732 2
1 490 . 1 1 A 46 46 TYR CA C 46 58.416 57.359 1.057 2
1 491 . 1 1 A 46 46 TYR CB C 46 39.842 38.600 1.242 2
1 494 . 1 1 A 46 46 TYR N N 46 124.739 126.807 -2.068 2
1 495 . 1 1 A 47 47 ILE H H 47 7.204 8.683 -1.479 2
1 496 . 1 1 A 47 47 ILE HA H 47 4.464 4.491 -0.027 2
1 506 . 1 1 A 47 47 ILE C C 47 174.754 174.995 -0.241 2
1 507 . 1 1 A 47 47 ILE CA C 47 58.308 59.590 -1.282 2
1 508 . 1 1 A 47 47 ILE CB C 47 37.997 39.954 -1.957 2
1 512 . 1 1 A 47 47 ILE N N 47 128.235 127.850 0.385 2
1 513 . 1 1 A 48 48 CYS H H 48 9.441 8.108 1.333 2
1 514 . 1 1 A 48 48 CYS HA H 48 4.132 4.400 -0.268 2
1 517 . 1 1 A 48 48 CYS C C 48 175.259 175.346 -0.087 2
1 518 . 1 1 A 48 48 CYS CA C 48 58.247 56.155 2.092 2
1 519 . 1 1 A 48 48 CYS CB C 48 32.230 29.295 2.935 2
1 520 . 1 1 A 48 48 CYS N N 48 131.299 122.986 8.313 2
1 521 . 1 1 A 49 49 ILE H H 49 7.753 8.628 -0.875 2
1 522 . 1 1 A 49 49 ILE HA H 49 3.968 3.849 0.119 2
1 532 . 1 1 A 49 49 ILE C C 49 177.248 177.624 -0.376 2
1 533 . 1 1 A 49 49 ILE CA C 49 63.078 64.203 -1.125 2
1 534 . 1 1 A 49 49 ILE CB C 49 38.535 37.709 0.826 2
1 538 . 1 1 A 49 49 ILE N N 49 113.316 121.444 -8.128 2
1 539 . 1 1 A 50 50 ASN H H 50 8.884 7.808 1.076 2
1 540 . 1 1 A 50 50 ASN HA H 50 4.729 4.578 0.151 2
1 545 . 1 1 A 50 50 ASN C C 50 176.793 177.788 -0.995 2
1 546 . 1 1 A 50 50 ASN CA C 50 55.405 55.812 -0.407 2
1 547 . 1 1 A 50 50 ASN CB C 50 39.719 38.339 1.380 2
1 548 . 1 1 A 50 50 ASN N N 50 121.756 119.657 2.099 2
1 550 . 1 1 A 51 51 CYS H H 51 8.179 7.885 0.294 2
1 551 . 1 1 A 51 51 CYS HA H 51 4.121 4.293 -0.172 2
1 554 . 1 1 A 51 51 CYS C C 51 174.880 176.117 -1.237 2
1 555 . 1 1 A 51 51 CYS CA C 51 61.889 63.102 -1.213 2
1 556 . 1 1 A 51 51 CYS CB C 51 31.444 27.256 4.188 2
1 557 . 1 1 A 51 51 CYS N N 51 123.907 118.431 5.476 2
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